smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)c1 2133123 BIWZWTZMUZMOCY-RYQLWAFASA-N 398.466 3.831 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1OC 5125840 IVHLWXPVUYPMDM-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2)nnc1-c1ccccc1 33500340 NGNMSMMNHTVNPZ-XYLKLUCISA-N 391.500 3.873 50 50 GHGA O=C(C[C@@H]1OCCc2ccccc21)NNc1nc(-c2ccc(Cl)cc2)no1 115382936 BQQYTOURWJWJQW-INIZCTEOSA-N 384.823 3.537 50 50 GHGA Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c(C)c1 1155211 PNBQSLTYXLBWDC-KRWDZBQOSA-N 387.399 3.820 50 50 GHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCc1ccccc1-2 945848 HIRJPIVNNJAQHJ-ZMOGYAJESA-N 382.423 3.798 50 50 GHGA COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)C2CC2)c1 5020887 SDKRRMBZSXWZLB-FMCGGJTJSA-N 385.851 3.851 50 50 GHGA Cc1ccccc1CSCC(=O)NNC(=S)NCc1ccc(Cl)cc1 6789595 XXDIIMJKGUZVJY-UHFFFAOYSA-N 393.965 3.577 50 50 GHGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2)C12CCC2 1875384247 NAOXMLCXHKCMNS-MOPGFXCFSA-N 382.891 3.750 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 752536 OTRJNIHEVIHBKY-YCRPNKLZSA-N 386.407 3.624 50 50 GHGA O=C(C[C@H]1OCCc2ccccc21)NNc1nc(-c2ccc(Cl)cc2)no1 115382933 BQQYTOURWJWJQW-MRXNPFEDSA-N 384.823 3.537 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3cccs3)c2)cc1 32603831 IVDVQKAJUMDVDG-QRVIBDJDSA-N 393.468 3.838 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 1103939 JZMUVMDZSZRPCS-AGKWGAAGSA-N 399.244 3.893 50 50 GHGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC 2388535 HTUSWVANCOOIOL-YBFXNURJSA-N 377.238 3.620 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 9008696 BJWDTOOHXZGKSF-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA CCOc1cc(CNC(=O)[C@H](Br)CC)cc(OCC)c1OCC 32920000 YNOBVHLHIGPAIA-CYBMUJFWSA-N 388.302 3.672 50 50 GHGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 1227890 MUHWYWPXQBJPNU-XXFAHNHDSA-N 389.249 3.518 50 50 GHGA O=C(NNC(=S)NCc1ccco1)[C@H](Sc1ccccc1)c1ccccc1 2858359 LUWUDKAHHHPIGQ-GOSISDBHSA-N 397.525 3.809 50 50 GHGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2)cc1 2542716 VKBBQUSIRJMOMV-YDZHTSKRSA-N 376.412 3.749 50 50 GHGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2 43761096 FKBYIDVNBNVUHL-GRWIMAJUSA-N 392.484 3.643 50 50 GHGA C=CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2731728 YVZQTICRUWHSBG-UHFFFAOYSA-N 376.485 3.505 50 50 GHGA COc1cc(/C=N\NC(=O)c2ccc(COc3cc(C)cc(C)c3)o2)ccc1O 32467464 KGYJWLHHYOFSMH-FMCGGJTJSA-N 394.427 3.954 50 50 GHGA O=C(NNC(=O)c1sccc1-n1cccc1)c1cccc(Cl)c1Cl 1394303 IAMIWLPQPVPJHB-UHFFFAOYSA-N 380.256 3.920 50 50 GHGA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17081002 KTYWQTOLUOFZDX-ROUUACIJSA-N 396.447 3.849 50 50 GHGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O 627457 RXTDGWPWKOIROQ-MRXNPFEDSA-N 389.249 3.655 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)c1 5125799 DESLWVWYZRPSHK-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 100421319 IVYPUFCZYHUBJI-ZROIWOOFSA-N 390.424 3.614 50 50 GHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 43190618 RQWVFCVSRORWDQ-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 4372681 OSNVXRPQRWTLBU-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccsc1 4182368 JRQZMKYTKIVKIU-SFHVURJKSA-N 392.440 3.961 50 50 GHGA Br[C@H]1C[C@H](Br)[C@H](Br)C[C@@H]1Br 100957687 RPHHTGJFIDZLLP-OMMKOOBNSA-N 399.746 3.834 50 50 GHGA Cc1ccc(C(=O)NNC(=O)c2cnoc2-c2ccc(F)cc2Cl)s1 253417803 HCSCGOBSFGYPTH-UHFFFAOYSA-N 379.800 3.579 50 50 GHGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946134 SHGHDOHZZHIJJC-AWQFTUOYSA-N 387.758 3.541 50 50 GHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)c(OCC)c1 5130489 AFCNGUHMXOZANW-KRWDZBQOSA-N 392.415 3.685 50 50 GHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(Br)c1 1231699 DWHGRSIKNSMVBN-QGZVFWFLSA-N 388.240 3.872 50 50 GHGA CN(C)c1ccc(/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1994658 NPRDETRMJMIVFF-XTQSDGFTSA-N 388.427 3.843 50 50 GHGA COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(F)cc2F)cc1 19119265 VFWKVWVGAVPEOA-FSJBWODESA-N 391.374 3.604 50 50 GHGA Cc1cc(C)cc(NC(=S)NNC(=O)CSCc2ccc(F)cc2)c1 6399873 UHKRHLFDDJMBMV-UHFFFAOYSA-N 377.510 3.694 50 50 GHGA O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 170626277 DPYKKVANQQPQPG-QWHCGFSZSA-N 390.777 3.915 50 50 GHGA CC(=NNC(=O)c1ccccc1)c1cc2cc(Br)ccc2oc1=O 252679849 SCUDISLLKXQALE-UHFFFAOYSA-N 385.217 3.710 50 50 GHGA N#CC1(c2ccc(CN(C[C@@H]3COc4ccccc43)C(=O)CCl)cc2)CC1 1875384566 SSZNNBUCEVCVRN-QGZVFWFLSA-N 380.875 3.985 50 50 GHGA Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 1212831 TYXVVFHRQBFUPN-UHFFFAOYSA-N 399.516 3.627 50 50 GHGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1449362 NHZVFJSBKMJLSU-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2553351 GGXGWMBEURUROL-HZHRSRAPSA-N 389.411 3.576 50 50 GHGA CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OC(C)=O 169794843 QKFMTAHXVXFZEZ-GUDVDZBRSA-N 386.561 3.954 50 50 GHGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccccc2OC)n[nH]1 4033892 NAXJUTRAKZOSIW-FHGPVCLNSA-N 376.416 3.523 50 50 GHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229184 ACOXGLZOADOQBF-BGHCKBSUSA-N 385.423 3.599 50 50 GHGA COc1ccc(C)cc1NC(=S)NNC(=O)Cc1ccc(Cl)c(Cl)c1 2852933 XMZXEIFUOZEXIZ-UHFFFAOYSA-N 398.315 3.871 50 50 GHGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 17079870 RBJCNKLTMOMRMP-DHZHZOJOSA-N 391.246 3.843 50 50 GHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C(=O)[C@H]3[C@H]4C=C[C@@H]5[C@@H]4[C@H]4[C@@H]3[C@H]2[C@H]2[C@H]1C(=O)[C@H]5[C@@H]24 248148770 FWRYDKHNELALTG-UYWSXBBBSA-N 382.576 3.561 50 50 GHGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1O 4366015 JDUSESLWXNLGSH-WTJYETQFSA-N 390.439 3.985 50 50 GHGA CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C 252445405 PMUGGBUBTGSEKO-KZRBPQLLSA-N 399.535 3.906 50 50 GHGA CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 253471301 PDUUNJMZTNOZOP-UHFFFAOYSA-N 377.407 3.781 50 50 GHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2ccc(N)cc2)[nH]n1 5297224 NDKJBBWMDGMNRL-AFUMVMLFSA-N 399.454 3.975 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)c(OC)c1 5402812 XQRTUWDEAUONSO-KGIMAENPSA-N 390.443 3.913 50 50 GHGA Cc1cc(NNC(=O)c2cccnc2OCC(F)F)ccc1Br 127810723 OCTHFEXFSZGTJB-UHFFFAOYSA-N 386.196 3.553 50 50 GHGA CC(C)(C)OC(=O)N[C@@H](CNC(=O)CCl)c1cccc(Cl)c1Cl 1875379689 UTPZOWBHLWUZTE-NSHDSACASA-N 381.687 3.914 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1c(F)cccc1Cl 4742535 WXAIZBRADVGZNP-AWEZNQCLSA-N 380.762 3.620 50 50 GHGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 1227887 MUHWYWPXQBJPNU-ABKXIKBNSA-N 389.249 3.518 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccccc3)c2)cc1 731243 LWVFUJZNORSDTI-LFVJCYFKSA-N 388.423 3.607 50 50 GHGA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1 1091307 REQLSALCUBLTQY-NTEUORMPSA-N 377.356 3.980 50 50 GHGA COc1ccc(C(=O)N/N=C/c2cc3cc(C)ccc3nc2Cl)cc1OC 1206907 OPDRKONFFQDZPP-SSDVNMTOSA-N 383.835 3.978 50 50 GHGA Nc1ccccc1C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 5016564 PQOKUNLYTBTMPX-FBHDLOMBSA-N 384.779 3.854 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(Br)s1 752559 SGLFSBUIEYQMOA-LBPRGKRZSA-N 383.267 3.545 50 50 GHGA O=C(N/N=C\c1cccc(OC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])cc1 32606328 LUBQOAKRFHNAMO-NDENLUEZSA-N 395.396 3.639 50 50 GHGA CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(N)=O 16448043 YNZMWDUARHTIMQ-SXGWCWSVSA-N 390.443 3.507 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc3ccccc23)n[nH]1 17180645 QECLWGWEQYBMMK-LPYMAVHISA-N 385.383 3.902 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)c(O)c1 1188146 HKLOTUDSKIBBKZ-MFKUBSTISA-N 390.487 3.954 50 50 GHGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@@H](Cl)[C@@]2(O)C1 252693521 DNJABCBTMIQRHM-ZFOUZFEASA-N 382.928 3.862 50 50 GHGA biogenic CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)cc2)nc2ccccc21 945998 FWLBNUAQPVUFFL-HYARGMPZSA-N 382.489 3.697 50 50 GHGA CCCc1noc2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)N2 60032859 ADYHLAWJIZNJMM-ZDUSSCGKSA-N 377.217 3.780 50 50 GHGA N#C/C(=C\c1ccc(I)cc1)S(=O)(=O)c1ccccc1 1462011 QXQLYWNZNXOESR-XNTDXEJSSA-N 395.221 3.630 50 50 GHGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cc(Br)ccc1O 1500027 PAWAUDGGRPNCCH-SRZZPIQSSA-N 399.244 3.837 50 50 GHGA Clc1ccc([C@@]2(Cn3cncn3)C[C@@H](Br)CO2)c(Cl)c1 3872656 HJJVPARKXDDIQD-RNCFNFMXSA-N 377.069 3.664 50 50 GHGA biogenic,in-vitro N#Cc1c(N)c(P(=O)(c2ccccc2)c2ccccc2)cn1-c1ccccc1 826802897 KAPJKXVGLMGBSG-UHFFFAOYSA-N 383.391 3.571 50 50 GHGA COc1cccc(NC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 11560367 QJVONMVAFJFBDL-UHFFFAOYSA-N 391.427 3.594 50 50 GHGA CCCc1[nH]nc2c1[C@@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 4075080 VKBNMHICUUGVTF-SFHVURJKSA-N 375.407 3.781 50 50 GHGA Cc1cc(C)c(CC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)CCl)s1 1875384519 RLZSQORVRNCCEJ-CZUORRHYSA-N 384.973 3.670 50 50 GHGA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17081003 KTYWQTOLUOFZDX-MSOLQXFVSA-N 396.447 3.849 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 1427328 ODFWYKURCZKVJV-HXUWFJFHSA-N 379.419 3.910 50 50 GHGA CC(C)c1cc(C(=O)NNC(=S)NCCc2ccccc2)c(O)c(C(C)C)c1 5061166 PDLZOSMMBXOIPA-UHFFFAOYSA-N 399.560 3.991 50 50 GHGA Cc1cccc(Cl)c1NNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 838525068 GEHIDIQGLZNUTA-HNNXBMFYSA-N 387.915 3.895 50 50 GHGA COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)cc1Cl 793819 JKEXTOOSWSYRLR-OZNZCJATSA-N 384.819 3.792 50 50 GHGA O=C(N/N=C/c1cnc(N2CCCCC2)s1)c1ccc(C(F)(F)F)cc1 1406095 SGIKIVKAAUXJSU-SSDVNMTOSA-N 382.411 3.916 50 50 GHGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(Oc3ncccn3)c2)cc1 1384396 UXSSMDLVNZWBLL-CPNJWEJPSA-N 377.425 3.916 50 50 GHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 4180882 AZCXOIDHAUDGPC-HXUWFJFHSA-N 386.411 3.900 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(C(F)(F)F)c1 753407 JSGOGYNEAXUYBS-OAHLLOKOSA-N 383.329 3.765 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1 1468505 DOPSYUCPYQMHNU-RGVLZGJSSA-N 383.795 3.792 50 50 GHGA CCOC(=O)COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC 4453115 DDNHJFHCZITENI-GDNBJRDFSA-N 377.400 3.578 50 50 GHGA Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1 3109730 AVYDPSBAHLXXSY-OAHLLOKOSA-N 382.316 3.841 50 50 GHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@@H]2C1 4453437 VZUGOUCWQLUUNX-DNVCBOLYSA-N 395.869 3.613 50 50 GHGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 4326908 OTGHKNWTMHLXIU-ZVHZXABRSA-N 378.403 3.934 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\CC)c3ccc(O)cc3)[nH]n2)c1 71776218 ZLUNYKOZIYODPF-RELWKKBWSA-N 378.432 3.725 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 3211530 OBCNNIBSKCARQD-UDWIEESQSA-N 390.281 3.765 50 50 GHGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccccc1 2509164 PCLAEZLUEDDLGE-HZHRSRAPSA-N 380.444 3.945 50 50 GHGA CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4372691 QXCJFPYBRPVFAZ-HFITWMCCSA-N 385.420 3.691 50 50 GHGA Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 17077154 QRGCFLNTGZEZAU-KBPBESRZSA-N 377.366 3.970 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1OC 945888 PZXNEWKTZXTAQV-HYARGMPZSA-N 378.432 3.556 50 50 GHGA CCCCOc1ccc(C(=O)NNC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 5060327 JOQPQRHSNDGEMP-UHFFFAOYSA-N 399.447 3.509 50 50 GHGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)C12CCC2 1875384250 NAOXMLCXHKCMNS-RTBURBONSA-N 382.891 3.750 50 50 GHGA C[C@@H](Cl)C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 1875363977 GOVFNIKFNJYYFY-GOSISDBHSA-N 386.923 3.564 50 50 GHGA CSc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 690911 GYKAPJCQRHWSHD-GOSISDBHSA-N 382.533 3.621 50 50 GHGA Cc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1440714 KKJKDEMIJZZSJK-CVDCTZTESA-N 398.510 3.966 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C)cc3)c2)cc1 2543213 ZHLKXYJDRJAGDF-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1 727847 HTLQYTORJDLISQ-AWEZNQCLSA-N 395.228 3.623 50 50 GHGA COc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)c1OC 43761099 DSGFOZYZIRNZQL-AWQFTUOYSA-N 383.231 3.540 50 50 GHGA CCSC(SCC)C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 3015737 YPDJQTCLARBOBI-UHFFFAOYSA-N 397.513 3.855 50 50 GHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccccc1Cl 2530448 CVTQMWKYEJVUQK-UFFVCSGVSA-N 387.226 3.630 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccccc1O 4981519 MIBTXDHQJKHZJX-HZHRSRAPSA-N 392.459 3.971 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1O 4360301 VVWGPANICBGPNP-FVQJWRHTSA-N 378.428 3.862 50 50 GHGA O=C(NNC(=S)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 672334 IYRSQNZKJCBQNG-UHFFFAOYSA-N 379.460 3.975 50 50 GHGA O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F 100855413 CRMBNXSUWGUDRD-UHFFFAOYSA-O 388.349 3.617 50 50 GHGA CSc1nc(NNC(=O)c2ccco2)c2c3c(sc2n1)COC(C)(C)C3 903781 BPXHCHAYJWPXGB-UHFFFAOYSA-N 390.490 3.614 50 50 GHGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccncc2)nc2ccccc12 653964 MSNRYQLOMIQMBP-DHRITJCHSA-N 396.406 3.789 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)cc1 55425378 ICEYTEKUEKJMFZ-ZBKNUEDVSA-N 396.672 3.679 50 50 GHGA Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1118826 XCMNYUYMJMDKGH-UHFFFAOYSA-N 398.366 3.553 50 50 GHGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297350 UFLNAEADBPOBOT-WYMPLXKRSA-N 398.422 3.504 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1O)c1csc2c1CCCC2 689090 QGQBUFPFTVGJDF-QGMBQPNBSA-N 379.279 3.859 50 50 GHGA Cc1c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)sc2ccccc12 1421855 PHGBENYNRHIURY-GOSISDBHSA-N 378.501 3.787 50 50 GHGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccccc1Br 2857993 RKPYANUZTZYWEC-UHFFFAOYSA-N 398.644 3.578 50 50 GHGA Cc1ccc2occ(/C=N/NC(=O)c3ccccc3Br)c(=O)c2c1 15933677 KLCOAOOXTJJSMB-AWQFTUOYSA-N 385.217 3.628 50 50 GHGA Cc1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Br)cc2)cs1 17079440 KHLICPZFLWNVKV-UFWORHAWSA-N 389.278 3.973 50 50 GHGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1O 2857150 YTOQWDBYSBWQQZ-UHFFFAOYSA-N 389.786 3.696 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccc(F)cc2F)o1 2769720 LIYDGVMQBRHTCB-IBGZPJMESA-N 398.365 3.952 50 50 GHGA Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 17077157 QRGCFLNTGZEZAU-ZIAGYGMSSA-N 377.366 3.970 50 50 GHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 4261057 YMPUOOVDKJZIFB-LPYMAVHISA-N 387.867 3.916 50 50 GHGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccncc1 1775976834 QNCOBSMRSNBJOD-FQEVSTJZSA-N 387.370 3.658 50 50 GHGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc([N+](=O)[O-])cc1 1469480 HMCBCQPLCJLVAK-HZHRSRAPSA-N 390.443 3.969 50 50 GHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3008886 OJGAJUMEFJMNRM-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)C12CCC2 1875384249 NAOXMLCXHKCMNS-RBUKOAKNSA-N 382.891 3.750 50 50 GHGA Cc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690777 AXHHXZKNQQQCHK-WMZHIEFXSA-N 398.510 3.966 50 50 GHGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(Br)s2)C(C#N)=C(N)O1 752541 AWQZSPPKBGMWRF-ZDUSSCGKSA-N 397.294 3.936 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 8817860 RUUKSDHOUHJNFB-HZHRSRAPSA-N 391.475 3.695 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2cc(Cl)c(Cl)s2)CCCCC1 1875384576 UDDAJFAZXRVSNE-UHFFFAOYSA-N 383.728 3.843 50 50 GHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Cl)ccc1O 102294991 IWPBTRXJJPSFJJ-LPYMAVHISA-N 381.904 3.753 50 50 GHGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cnn(CC)c2C)s1 17078912 LJDVGCGSSPEHPB-MDWZMJQESA-N 386.477 3.558 50 50 GHGA CSc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 690909 GYKAPJCQRHWSHD-SFHVURJKSA-N 382.533 3.621 50 50 GHGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 1472147 KGHMKARTGFAUHU-FQEVSTJZSA-N 387.414 3.562 50 50 GHGA COc1cc([C@@H]2CC(=O)NC(SC)=C2C#N)ccc1OCc1ccccc1 9088984 HYDYOCZKOQUQAX-INIZCTEOSA-N 380.469 3.976 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccc(F)cc2F)o1 2769719 LIYDGVMQBRHTCB-LJQANCHMSA-N 398.365 3.952 50 50 GHGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 16994917 CVGMFCXEPHKRSH-AWQFTUOYSA-N 375.215 3.853 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1 32603873 NBXXYAZUCAXBAA-MYYYXRDXSA-N 387.439 3.776 50 50 GHGA Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)o1 97976884 BQOGAPKQAIRAQC-UHFFFAOYSA-O 376.441 3.891 50 50 GHGA COc1c(C(=O)/C(C#N)=C/N(C)C)cc2c(-c3ccccc3)cc(=O)oc2c1C 826657262 FYHKUIUAYUGEMS-DTQAZKPQSA-N 388.423 3.929 50 50 GHGA COc1ccc(C)cc1NC(=S)NNC(=O)c1ccc(OC2CCCC2)cc1 1117726 BSIZHRFIOFYKFF-UHFFFAOYSA-N 399.516 3.956 50 50 GHGA O=C(CSc1nc2ccccc2s1)NNC(=O)Nc1ccc(Cl)cc1 2543629 NBIKDAYHYQMPIX-UHFFFAOYSA-N 392.893 3.895 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Br)[nH]n2)cc1 943303 ASWHMABQRYVVIU-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 13281418 SCVVABFWKRHNLD-NRFANRHFSA-N 379.423 3.947 50 50 GHGA C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(CNC(=O)CCl)(c2ccccc2)CC1 1875383372 RDBFAOBZXOYSEO-IEBWSBKVSA-N 388.939 3.504 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)[C@H]1COc2ccccc2O1 1226707 IDVWDQOWVZLHMK-AZHVYHFMSA-N 382.803 3.890 50 50 GHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1Br 752617 YRQQZCWPLABILS-JDNHERCYSA-N 389.249 3.518 50 50 GHGA Cc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1440715 KKJKDEMIJZZSJK-WMZHIEFXSA-N 398.510 3.966 50 50 GHGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 4709081 LOTXNGLBUIXLOC-GOSISDBHSA-N 392.440 3.961 50 50 GHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)C(C)C)c1 685905 HNTFDBMOOTXAEM-OEAKJJBVSA-N 387.867 3.854 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)C[C@H]2CCc3ccccc3C2)cc1 1875383977 IHFAUYJFOUZZOC-AEFFLSMTSA-N 398.934 3.914 50 50 GHGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 2855409 PPNYJSJMHAIYRH-UHFFFAOYSA-N 396.230 3.637 50 50 GHGA O=C(N/N=C\c1cccc(Cl)c1)c1ccccc1I 32650083 CYUPEKPXQYCIMK-MFOYZWKCSA-N 384.604 3.709 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 5034391 OKJQAQBILMEPIW-ZVHZXABRSA-N 391.519 3.707 50 50 GHGA COc1cccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O 239119550 IURTZUJXAZIMQN-UHFFFAOYSA-N 391.471 3.775 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 1427321 XWNUBHNOHCHNLQ-OAHLLOKOSA-N 381.794 3.549 50 50 GHGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 2506423 YDYLDVQCVOCLER-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 5093674 IPFLTMIOSCSLAU-LWAZWVBVSA-N 391.265 3.780 50 50 GHGA Cc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)c(O)c1 3136529 FTCRCNBDFNLPAL-AWQFTUOYSA-N 391.265 3.609 50 50 GHGA O=C(NNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1225611 FIEYXSDJWLGBPU-UHFFFAOYSA-N 382.423 3.614 50 50 GHGA CCOC(=O)[C@H](OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101021418 OEZWGWARLLESFE-XMMPIXPASA-N 393.443 3.906 50 50 GHGA O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cc(O)ccc1O 13321360 LQEMXLJHLPMQHG-FSJBWODESA-N 380.375 3.580 50 50 GHGA O=C(N/N=C/c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Cl 1214371 JZRHBWVDJCEHQF-CAOOACKPSA-N 382.601 3.775 50 50 GHGA COc1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC 5586882 AZDQPWAEQVBOGZ-VZUCSPMQSA-N 385.221 3.802 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cc(Br)cs1 752531 MQZWIZKHNVCFIL-GFCCVEGCSA-N 383.267 3.545 50 50 GHGA N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4755827 JZCLAYSGELZZQY-UVTDQMKNSA-N 391.412 3.794 50 50 GHGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc(NC(=O)C(F)(F)F)c1 17081379 YACPTCVBTXXKNU-BHGWPJFGSA-N 397.784 3.924 50 50 GHGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 17077156 QRGCFLNTGZEZAU-UONOGXRCSA-N 377.366 3.970 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OCC)c2)C(C#N)=C(N)O1 1228448 CJKZHPZKCMEPMY-SFHVURJKSA-N 386.448 3.519 50 50 GHGA O=C(NNC(=O)c1ccc(-n2cccc2)cc1)Nc1ccc(Br)cc1 5041613 SFLBYJJFRFTRLW-UHFFFAOYSA-N 399.248 3.706 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)cc1OC 5295995 AHDYKQNYCAWGRJ-KGIMAENPSA-N 390.443 3.913 50 50 GHGA COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3ccncc3)c2)cc1 179513642 BAEAXXJERRTHAD-QGOAFFKASA-N 398.422 3.888 50 50 GHGA COc1cc(OC)c(/C=N/NC(=O)Nc2ccccc2)cc1Br 3152273 PSYVNNPIGUAFIM-VCHYOVAHSA-N 378.226 3.622 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 4705515 CEHFOFOQXZFQAU-UDWIEESQSA-N 383.249 3.993 50 50 GHGA Cc1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 20026609 CBXMRVYGDPZUCM-IRLDBZIGSA-N 395.466 3.514 50 50 GHGA Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 1095168 GIDZKYMKDLJAMI-KDMTZKAISA-N 383.879 3.950 50 50 GHGA COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1C 3136496 NJPXHJSDBKRDRK-KEBDBYFISA-N 391.265 3.604 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1C[C@H](c1ccccc1)CC2=O 691064 VRYLDPPYHTVCMC-MGPUTAFESA-N 390.512 3.719 50 50 GHGA CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 17079278 BRVOCCJCYMKSNX-UHFFFAOYSA-N 388.427 3.781 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC)[nH]n2)c1 1791830 RNBBMYMTWOXWHF-HYARGMPZSA-N 378.432 3.638 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)C[C@H]1CCCc2ccccc21)C1CCCC1 1875383923 HIRMJSLFRAJDQN-MJGOQNOKSA-N 376.928 3.527 50 50 GHGA O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(Cl)c(Cl)c1 682729 CCMSZKCDFIFFLN-UHFFFAOYSA-N 389.238 3.987 50 50 GHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1O 867740 MVVUPSNITKHULZ-SRZZPIQSSA-N 384.823 3.598 50 50 GHGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccnc1 4326947 CWLJCIJKWSJTIX-FSJBWODESA-N 379.803 3.718 50 50 GHGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 5093682 IPFLTMIOSCSLAU-LVAWLBJVSA-N 391.265 3.780 50 50 GHGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)cc1 1775977093 WDFKMQMLLQSBCR-NRFANRHFSA-N 383.407 3.827 50 50 GHGA Cc1nc(C(C)(C)C)sc1C(=O)NC1(CNC(=O)CCl)CCCCC1 1875384919 YMUFNFVYJJOQBR-UHFFFAOYSA-N 385.961 3.537 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)c1O 4996531 WASBHCLVJCTOPF-BGHCKBSUSA-N 375.428 3.587 50 50 GHGA Cc1ccc(NC(=S)NNC(=O)CSCc2cccc(F)c2)cc1C 6574431 HDSXPEAOOBXRKQ-UHFFFAOYSA-N 377.510 3.694 50 50 GHGA CNC(=S)NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12 6633842 VPPXRKYIKLLKKQ-UHFFFAOYSA-N 378.501 3.764 50 50 GHGA CCCCNC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 6648969 RIYNHUIXUUHTLB-UHFFFAOYSA-N 381.432 3.756 50 50 GHGA CN(CC(=O)N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1ccccc1 43193704 OSYYGPNLKKMAEE-HKFXUJQTSA-N 376.287 3.812 50 50 GHGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 1230094 UIMQOWFZRDESDB-UHFFFAOYSA-N 388.048 3.831 50 50 GHGA CCOc1cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)ccc1O 5042638 WZPCIEVLGPYMMW-VZUCSPMQSA-N 385.221 3.889 50 50 GHGA CCn1c2ccccc2c2cc(/C=N/NC(=O)Cn3nnc4ccccc43)ccc21 5611088 XFTWLQWHTMJDCC-ZVHZXABRSA-N 396.454 3.709 50 50 GHGA COc1ccccc1C1(C(=O)NCCSSCCC(=O)O)CCCCC1 1875389051 ZVNMRNTUVBYLJG-UHFFFAOYSA-N 397.562 3.869 50 50 GHGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 3202312 JLSQNJOPOFSVCO-HYARGMPZSA-N 375.384 3.791 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1F)c1cc(-c2cccs2)n[nH]1 5126155 GYUSJFJRZQLYGF-QGMBQPNBSA-N 393.241 3.804 50 50 GHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 1080368 CZFKSZIFDHFYFO-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA COc1ccc(CNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Cl)cc2)cc1 17080291 ZGOCANPOUKRWTA-MHWRWJLKSA-N 392.846 3.962 50 50 GHGA COc1ccccc1/C=N/NC(=O)CSCc1ccccc1Br 831099 ZVWMIYIBINYQQK-VXLYETTFSA-N 393.306 3.841 50 50 GHGA CC[C@@H](CC(=O)N1CCCCC12CC(NC(=O)CCl)C2)Cc1ccccc1 1875383522 XGJRDQQVVGCJDR-BWDFOLQRSA-N 390.955 3.914 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2cc(-c3ccccc3)no2)CCCCCC1 1875383717 DFYYHECCBQUHKY-UHFFFAOYSA-N 389.883 3.519 50 50 GHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1O 102295235 VEJZCRDJZWNVOX-HZHRSRAPSA-N 391.512 3.585 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 1193033 VZVDLKVAYYUECB-HYARGMPZSA-N 395.532 3.662 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 2363592 IYSBOJVXPZPYMU-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 752535 OTRJNIHEVIHBKY-QVKFZJNVSA-N 386.407 3.624 50 50 GHGA NNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(C(F)(F)F)c2)n1 1392849 FGEVDVPELLMCOX-UHFFFAOYSA-N 380.757 3.815 50 50 GHGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3s2)c1 653872 ANKJPPJXUIJFIJ-VXLYETTFSA-N 387.486 3.556 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1O 4360335 NVBYHUHINBUEQQ-QKIXXSFTSA-N 378.428 3.862 50 50 GHGA CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2522556 UFQPOFZGPUCSGU-GOSISDBHSA-N 386.404 3.985 50 50 GHGA CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 2859032 OTPBFVGUOHBVAZ-NRFANRHFSA-N 390.439 3.910 50 50 GHGA C=C[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC)O1 169836449 RERIHZMQVXPABK-COPCDDAFSA-N 382.576 3.879 50 50 GHGA COc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1O 1233862 AEWTXVRCILDJLB-UVPCLOGWSA-N 386.451 3.857 50 50 GHGA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNc3ccccc3)C2=O)cc1 13603306 JKUXWRZAQQRFPN-LGMDPLHJSA-N 397.525 3.730 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 1875383808 FCSWZZSBHGSPMH-OAHLLOKOSA-N 384.907 3.911 50 50 GHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1n[nH]c2c1CCc1ccccc1-2 5635487 GHLMTUQCRXOQTC-UFFVCSGVSA-N 395.806 3.501 50 50 GHGA CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)cc1 4723645 AIVLZUYTEJVYPC-XFXZXTDPSA-N 392.196 3.992 50 50 GHGA NC(=O)O[C@H](c1ccccc1[N+](=O)[O-])P(=O)(c1ccccc1)c1ccccc1 1234737 ZWWHITWKBWKGBX-IBGZPJMESA-N 396.339 3.703 50 50 GHGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2521925 YFXRQLQCDOUGQM-HZHRSRAPSA-N 389.411 3.576 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2ccccc2[C@H]2CC2(F)F)CCCCCC1 1875384975 ZWHMJTVHCKPPHY-MRXNPFEDSA-N 398.881 3.987 50 50 GHGA Clc1ccc([C@@]2(Cn3cncn3)C[C@H](Br)CO2)c(Cl)c1 3872655 HJJVPARKXDDIQD-ZANVPECISA-N 377.069 3.664 50 50 GHGA biogenic,in-vitro Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1 868149 KNLLMAHHYWSGMZ-GIJQJNRQSA-N 389.278 3.973 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1CC1(c1ccccc1)c1ccccc1 811492 CGEUAFLHYZXMQN-SDLXJUDFSA-N 375.384 3.644 50 50 GHGA Cc1ccc([C@H]2CC(=O)NC(SCC(=O)NC3CCCCC3)=C2C#N)cc1 2835628 KQRBEJXICNPOHU-QGZVFWFLSA-N 383.517 3.516 50 50 GHGA CCOC(=O)/C(C#N)=C/c1ccc(OC)c(COCC(F)(F)C(F)F)c1 2778291 LDEOFEYXXGAOCY-WUXMJOGZSA-N 375.318 3.582 50 50 GHGA O=C(NN(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2870966 QAUHKKQQWHWDKM-UHFFFAOYSA-N 378.344 3.986 50 50 GHGA CCCCCCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 97950540 AREWMXPTNANQMD-UHFFFAOYSA-N 387.480 3.526 50 50 GHGA CC(=O)c1cccc(NC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 2850980 HWFDKOFEQJUBAT-UHFFFAOYSA-N 387.439 3.874 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(SC)cc3)[nH]n2)cc1 5615660 PXTOAKFPPHGTLC-FYJGNVAPSA-N 380.473 3.961 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1 1227928 VVSAXPQZSYGEFL-OAHLLOKOSA-N 395.212 3.774 50 50 GHGA COc1ccccc1NC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccccc1 19720716 IRYVHNYJHXSEPM-LJQANCHMSA-N 377.469 3.960 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)c1 5296767 UZYBNQDZWSMIBR-HYARGMPZSA-N 378.432 3.556 50 50 GHGA Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)cc(C)c1Cl 1750139 RCSDTQHIIOALFY-BQYQJAHWSA-N 393.270 3.850 50 50 GHGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 8081687 LVWOMMUDDFHVKA-YDZHTSKRSA-N 385.379 3.957 50 50 GHGA COc1cccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1 1233602 JMFSJCORCKOQRF-VXLYETTFSA-N 393.306 3.841 50 50 GHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 5125853 KFUUITWQNAAKPN-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@H]2C1 13479737 VZUGOUCWQLUUNX-KXBFYZLASA-N 395.869 3.613 50 50 GHGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(C)=O)cc2OC)cc1 4282807 YNHUDNLVSOYRFR-HYARGMPZSA-N 384.432 3.563 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1OC 1190117 JOKASDDODZFYPN-HYARGMPZSA-N 378.432 3.556 50 50 GHGA CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OC(C)=O 6656550 WPQMTKIFPUMNGW-VUFYJBQKSA-N 378.428 3.795 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 752429 VAAGNGKUCZEBSQ-HNNXBMFYSA-N 391.265 3.874 50 50 GHGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1O 1474866 GRQIOPYOHOJXNK-VXLYETTFSA-N 387.486 3.643 50 50 GHGA O=C(CCl)NC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2cc(F)ccc12 1875383910 HDPHDYRKPFBCFE-KDOFPFPSSA-N 376.859 3.623 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O 1080070 WNDXVKKCXHZZRZ-INIZCTEOSA-N 388.874 3.692 50 50 GHGA COc1ccc(NC(=S)NNC(=O)c2csc3ccccc23)cc1OC 2853402 SCEKFZDEIWSJHV-UHFFFAOYSA-N 387.486 3.550 50 50 GHGA COc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COC(C)=O 4646361 KWUJRCGDBAOZNP-ZMOGYAJESA-N 398.503 3.815 50 50 GHGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1 1213698 NPKRCLYBHMOKHG-XMOVILSBSA-N 376.840 3.665 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O 1080043 ZRWFIYJVIZZPQP-OAHLLOKOSA-N 377.275 3.570 50 50 GHGA O=C(N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)Cl)c1ccccc1 6344027 IBTIIQYBSVUAET-AWEZNQCLSA-N 386.279 3.672 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)CCCCCCCCC)c1O 102294075 KJKINEVZSOXJRA-LFVJCYFKSA-N 387.524 3.828 50 50 GHGA CCC(CC)(CC)C(=O)N1C[C@@H](NC(=O)CCl)[C@H](c2cccc(F)c2)C1 1875383321 OVKOFPUANMVYKE-DLBZAZTESA-N 382.907 3.692 50 50 GHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1C(F)(F)F 1050483 AQEYLRUCMWZMNZ-ZVBGSRNCSA-N 378.379 3.824 50 50 GHGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1 4366215 FVAFDZHGKSJIFQ-SYXCRGJESA-N 390.439 3.889 50 50 GHGA C/C(=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccccc1O 18045543 QVWWBVCXQCKJGN-YDZHTSKRSA-N 378.476 3.737 50 50 GHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1 1802964 ZYFFSMKHKXATBP-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA COc1cc(NC(=O)C(Cl)Cl)c(OC)cc1NC(=O)c1ccccc1 1147133 VSNUGIRZNQLQFN-UHFFFAOYSA-N 383.231 3.698 50 50 GHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1O 102295072 JBYJABSSNIFIJP-XQNSMLJCSA-N 375.513 3.879 50 50 GHGA Cc1ccccc1C(=O)N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2C)cc1 2848745 VYUOQLDRGNIWST-RYQLWAFASA-N 398.466 3.831 50 50 GHGA CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc([N+](=O)[O-])c1O 32533011 XDESSWPOCYOIER-SDQBBNPISA-N 380.360 3.648 50 50 GHGA Cc1cc(C)cc(NC(=S)NNC(=O)c2cc(Br)cs2)c1 6571457 OZYCADPLXBTLRL-UHFFFAOYSA-N 384.324 3.759 50 50 GHGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2oc1=O 1127613 STFZVAYCXHGOES-UHFFFAOYSA-N 390.145 3.683 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 9013023 XQQFAUKDAUURFS-WSDLNYQXSA-N 393.447 3.550 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 4751336 ADDQMWWSSFSDPR-GOSISDBHSA-N 379.372 3.740 50 50 GHGA Cc1cc(C)c2c(c1)/C(=N/NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N2 17076907 DLNQOWKAWOLAEI-UHFFFAOYSA-N 376.243 3.625 50 50 GHGA COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1 1233667 LQALEHLTINYFOW-OEAKJJBVSA-N 376.412 3.744 50 50 GHGA COc1cccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 1234596 FEGXCTHTMHRZIU-OEAKJJBVSA-N 376.412 3.597 50 50 GHGA C[C@H](Cl)C(=O)N(C)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 1875364205 ISGOXQFRBPQQSK-JTQLQIEISA-N 398.688 3.615 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])s1 4997570 IEVKIXJEUNIDQM-ZDUSSCGKSA-N 399.819 3.918 50 50 GHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@H]2C1 4115193 YSBSLQRCXADTIO-NVXWUHKLSA-N 398.297 3.739 50 50 GHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 1214125 ATZFSZYGAOYZSB-HYARGMPZSA-N 375.384 3.938 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cc(OC)ccc1OC 4751332 PUSPISRLUMEOCL-HXUWFJFHSA-N 394.427 3.849 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 4416080 IUHYIRNGOAAUML-YDZHTSKRSA-N 378.476 3.650 50 50 GHGA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2584399 QZIWWFMMLBBICG-KRWDZBQOSA-N 386.404 3.636 50 50 GHGA in-vitro C[C@H](NC(=O)CCl)c1ccc(CNC(=O)C2CCc3ccccc3CC2)cc1 1875384951 ZDYMUYOOCRRBNL-INIZCTEOSA-N 398.934 3.914 50 50 GHGA CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1 2892368 POCBIERLQAITJR-RGVLZGJSSA-N 388.265 3.661 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 4953972 CSBKSQCCZHITNY-HZHRSRAPSA-N 391.475 3.695 50 50 GHGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cnc2ccccc2n1 4470914 JTVAEZRGXYDHSC-ZOCVZFIWSA-N 389.242 3.854 50 50 GHGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(F)cc2)n[nH]1 867880 WBSPMMIWZRWDKL-KEBDBYFISA-N 387.212 3.742 50 50 GHGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCc1ccccc1-2 2529378 CFNSYTHHOCEAIS-OWTPYQNBSA-N 387.399 3.513 50 50 GHGA COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)cc1 1195347 AKWWTLLOZFDKFB-HZHRSRAPSA-N 376.412 3.816 50 50 GHGA Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)c1 1775976916 RGHNIHVWDXCOMW-NRFANRHFSA-N 383.407 3.827 50 50 GHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 1208540 NBSUCOAOXWSYGI-AFUMVMLFSA-N 385.402 3.837 50 50 GHGA COc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 4366671 GJTZBSPBKPFYIS-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA Cc1ccc(/C=N/NC(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1 6922757 WTBXQDHJOKEQBV-GZIVZEMBSA-N 385.777 3.747 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc2ccccc2c1 1427330 NWNYDGQWPZYRMD-HXUWFJFHSA-N 379.419 3.910 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)c1O 4996533 WASBHCLVJCTOPF-LZCVXGSNSA-N 375.428 3.587 50 50 GHGA O=C(N/N=C/c1ccncc1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1198803 AWVWYCHAMVPUOG-YDZHTSKRSA-N 385.383 3.902 50 50 GHGA COc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2779330 ZYXYNGLDZXQRBF-UHFFFAOYSA-N 397.258 3.622 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1I 1233759 LWFXEJCCVUNBAJ-RQZCQDPDSA-N 384.604 3.709 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(OCCCC)cc1 4372915 JFNQVUVSGDZZMZ-XQNSMLJCSA-N 382.460 3.959 50 50 GHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 1056448 XXVSUEWFMGSOKX-GOSISDBHSA-N 392.440 3.961 50 50 GHGA C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 1200924 FRIGQKRGLVXISB-QAEYNFOBSA-N 393.487 3.779 50 50 GHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)[nH]n1 5319140 MOJXVKNNYYAQGB-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1C 17080782 OZBYGHBJIZUMPE-ZDUSSCGKSA-N 395.381 3.942 50 50 GHGA Cc1ccc(S(=O)(=O)OCCSSCCO[C@@H]2CCCCO2)cc1 258839768 WJDBLPWPLQRBJB-MRXNPFEDSA-N 392.564 3.625 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1sc2ccccc2c1Cl 5685473 XATMZSOJHLXSOV-QGMBQPNBSA-N 375.793 3.932 50 50 GHGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccncc1 2584717 NQVQNBASGACWHI-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA C[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1CCNC(=O)CCl 1875383658 BSAQDJQBZISAOV-JXFKEZNVSA-N 386.923 3.755 50 50 GHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c1 2543141 AFRXBYWXDJHXSE-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(I)o1 5074101 GBPCXNYLFZCCNE-XFXZXTDPSA-N 392.196 3.992 50 50 GHGA C[C@H]1CCCC[C@@H]1OCCN(Cc1nn(C)c2ccccc12)C(=O)CCl 1875384945 YWGYKWPOMSVVPB-KXBFYZLASA-N 377.916 3.736 50 50 GHGA O=C(NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc2[nH]ncc12 732156925 PNJOSNWRUSMBPJ-UHFFFAOYSA-N 395.426 3.568 50 50 GHGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(OCc2ccccc2)cc1 2519932 JUPKWASDNBNHIE-MFKUBSTISA-N 397.434 3.871 50 50 GHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1 2291168 XJAMFJVAUTWYAR-OAHLLOKOSA-N 376.279 3.795 50 50 GHGA COC(=O)[C@H](Cl)C12CC3(C)CC(C)(C1)CC([C@@H](Cl)C(=O)OC)(C3)C2 4582323 VNCNDLWHRXLTQV-CUQPANJWSA-N 377.308 3.914 50 50 GHGA CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(Br)cc1 1197530 NZDYEHYPHJHZCT-BPCHAPQNSA-N 387.233 3.997 50 50 GHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ncccn3)cc2)cc1 5010288 VEZRZNAGCXSJMQ-ZMOGYAJESA-N 392.484 3.606 50 50 GHGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cnccn1)c1ccccc1 4259444 QXJLYGVLIAMAHZ-VULFUBBASA-N 396.406 3.613 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(Br)c1 1501178 ZBSRZFVOPJLXTH-CAOOACKPSA-N 398.054 3.681 50 50 GHGA CC(C)(C)c1cc(CN(C[C@@H]2OCCc3ccccc32)C(=O)CCl)no1 1875384446 PPVQQZFDZCHDOB-KRWDZBQOSA-N 376.884 3.854 50 50 GHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(CC)s1 1106686 HRLJLUKGKSYMOA-CQSZACIVSA-N 397.294 3.718 50 50 GHGA CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)=O 6656548 WPQMTKIFPUMNGW-CCRNYGKSSA-N 378.428 3.795 50 50 GHGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc([N+](=O)[O-])cc2)cc1 2573407 DHGLIVLRRFQLLR-LJQANCHMSA-N 387.399 3.616 50 50 GHGA O=C(Cc1cccc2ccccc12)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383110 HCPLOEJJKITFTH-NFBKMPQASA-N 392.886 3.520 50 50 GHGA C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 4989571 UDJCCUDPSKUKMD-NDENLUEZSA-N 378.344 3.810 50 50 GHGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 1471893 FJPNSMIONOMVSB-ZDUSSCGKSA-N 387.650 3.857 50 50 GHGA CCn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21 4014130 JUCITSRMUFYEPI-FQEVSTJZSA-N 399.454 3.902 50 50 GHGA COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1O 1233847 XWVRLUYDMSGDIJ-KXWHUPIZSA-N 386.451 3.857 50 50 GHGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210898 FZPPKUCYJSIGJR-KIHMUJGBSA-N 398.806 3.714 50 50 GHGA CCCCc1[nH]nc2c1[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2 5045037 UHBQKTVMPFQSSW-LBPRGKRZSA-N 379.283 3.794 50 50 GHGA CC1=C(C#N)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1 636874 SCYHRGKBAHTZKD-QGZVFWFLSA-N 387.233 3.669 50 50 GHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2892379 BCXUMJHPVZQWDC-WYMPLXKRSA-N 385.345 3.947 50 50 GHGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 2520125 FWQJYMVGPDDRLK-MFKUBSTISA-N 397.434 3.724 50 50 GHGA CCCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21 299738352 ZFDFGLVCSUSDRJ-HZHRSRAPSA-N 377.444 3.661 50 50 GHGA CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 12380037 IMJJRYZVPORGAR-ZROIWOOFSA-N 385.217 3.920 50 50 GHGA O=C(CBr)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl 6095229 XSTMFEOLMKEEMU-UHFFFAOYSA-N 397.612 3.813 50 50 GHGA in-vitro N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)C(N)=O 1196247 PRYJDHOAJPLNFB-ZROIWOOFSA-N 393.244 3.694 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 1955569 JOLOZMSKCLPZPY-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17081005 KTYWQTOLUOFZDX-QZTJIDSGSA-N 396.447 3.849 50 50 GHGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(Cl)c(Cl)c1 12464712 JPONFSCRTSXJIY-RGVLZGJSSA-N 376.247 3.669 50 50 GHGA CC1(C)OB(c2ccc(OC(F)(F)F)c(CBr)c2)OC1(C)C 169904336 SHCZJBHAOSOBEE-UHFFFAOYSA-N 380.997 3.779 50 50 GHGA O=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCc1ccccc1-2 6383094 XQDWLGZJPWQDDF-SRZZPIQSSA-N 395.260 3.702 50 50 GHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccc(OC)c3)c2C)cc1 1772382 LDBXUKLGTRSYMY-LPYMAVHISA-N 378.432 3.556 50 50 GHGA C[C@@H]1CCc2sc(C(=O)NC3(CNC(=O)CCl)CCCCC3)cc2C1 1875383967 HWSIWBWXTKESKW-CYBMUJFWSA-N 382.957 3.661 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1COc2ccccc2O1 1226705 IDVWDQOWVZLHMK-QKXOWGBTSA-N 382.803 3.890 50 50 GHGA Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 1148655 POLFGEHYSBRDSQ-IBGZPJMESA-N 376.391 3.654 50 50 GHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c(Cl)cccc1Cl 3032139 MCUDSNMQWWCION-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA O=C(O)COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 4282307 HSBWXSJMKZGEAJ-AWQFTUOYSA-N 388.832 3.782 50 50 GHGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 1472148 KGHMKARTGFAUHU-HXUWFJFHSA-N 387.414 3.562 50 50 GHGA COc1ccc(/C=N/NC(=O)c2ccco2)cc1COc1ccc([N+](=O)[O-])cc1 655004 GRWSCFDXJGMHRD-CIAFOILYSA-N 395.371 3.539 50 50 GHGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 867684 XHQBJIMEEMYZQN-MFKUBSTISA-N 397.438 3.815 50 50 GHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C(C)/C=C/c2ccccc2)cc1 4260881 HYUKZYFFMSIJAI-ADTGEPROSA-N 393.487 3.801 50 50 GHGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1cccc2ccccc12 4329600 PEBUFUQATKJWNO-CIAFOILYSA-N 396.244 3.691 50 50 GHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC1CCCC1 2855083 TTWRNVAXSADSSF-UHFFFAOYSA-N 390.336 3.590 50 50 GHGA CC(=NNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 245239711 MBAYGTIWWPWXRB-UHFFFAOYSA-N 394.656 3.581 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1 4259712 ITHSMIRKIHAVSC-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1 2686189 AFHNHWAOPBMNLB-ZZQPOVDQSA-N 377.492 3.669 50 50 GHGA O=S(=O)(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100178884 RKQKXPDRWYNUGZ-UHFFFAOYSA-O 399.472 3.649 50 50 GHGA O=C(CCCC[C@H]1CCSS1)N[C@H](Cc1nnc[nH]1)c1ccccc1 225577989 SOEACGJKNUBGRV-JKSUJKDBSA-N 376.551 3.919 50 50 GHGA CCCCCCc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)cc1O 1951263 QLSLGBJRDNYCSD-FYJGNVAPSA-N 385.420 3.893 50 50 GHGA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Br)C(C#N)=C(N)O1 4990374 YUAXZJAPBIXNTH-OAHLLOKOSA-N 391.265 3.874 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccccc1 2141482 CMJCWJRAZPWZLG-CXHGCJEXSA-N 376.243 3.539 50 50 GHGA COC(=O)/C(C#N)=C/c1ccnc(-c2ccc(OC(=O)c3cccs3)cc2)n1 1406435 CYEWZFMHHCTEEK-SDNWHVSQSA-N 391.408 3.504 50 50 GHGA COc1ccc(Cl)cc1NC(=S)NNC(=O)c1ccc(Cl)s1 6847174 QTCAYYLREVEELQ-UHFFFAOYSA-N 376.290 3.695 50 50 GHGA CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)[C@@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 95099956 QAYXHDRQVUEBDA-BZSNNMDCSA-N 397.858 3.750 50 50 GHGA CCCCCn1nc(C)c(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C 5125771 YYZXQQIEGCUVIR-HYARGMPZSA-N 378.480 3.844 50 50 GHGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752568 HRUJLUCMRLQBFM-HTAPYJJXSA-N 399.450 3.853 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1O 5073655 MFWKQTADLDSQNU-LPYMAVHISA-N 385.851 3.643 50 50 GHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 2571789 BBWCYUCIRXMVBE-CIAFOILYSA-N 396.244 3.691 50 50 GHGA O=C(NNC(=S)NCc1ccco1)[C@@H](Sc1ccccc1)c1ccccc1 2858358 LUWUDKAHHHPIGQ-SFHVURJKSA-N 397.525 3.809 50 50 GHGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 4981480 RXPYCBFRCXVNKC-ZMOGYAJESA-N 382.423 3.798 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1 1875383972 HXXAYBCPOHKGKY-YWZLYKJASA-N 384.907 3.524 50 50 GHGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)NC3CC3)o2)c1 8370862 BIMMHDHLLKAIOE-UHFFFAOYSA-N 387.505 3.562 50 50 GHGA Cc1cc(C)n2nc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)nc2n1 252680130 WIFJGKXUXVCUBS-UHFFFAOYSA-N 394.438 3.811 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC)[nH]n2)cc1 9042820 USVPYMMLWFBZNQ-HYARGMPZSA-N 378.432 3.638 50 50 GHGA Cc1cc(C)cc(NC(=O)COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1 252512787 VPEWEAPPGHQXQW-JCKWVBRZSA-N 380.282 3.739 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1 1205603 SIAJCZQBSAKJSM-LPYMAVHISA-N 385.383 3.902 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)C1CCCC1 1875383921 HIRMJSLFRAJDQN-HKUYNNGSSA-N 376.928 3.527 50 50 GHGA Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c2ccccc2n1 2317380 JGMDMFQBYZQFOE-KEBDBYFISA-N 384.233 3.775 50 50 GHGA COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccco1 30774220 QRWZPFSUVSPSSM-UUYOSTAYSA-N 398.802 3.925 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@@H](CC(C)(C)C)CC3)cc1 5296081 IDVRKGBNZLCOBC-YQCVNYCESA-N 381.524 3.781 50 50 GHGA CC(C)[C@H](CCN(C)C(=O)c1cccc2cc(F)ccc12)NC(=O)CCl 1875383966 HWBLVKOMCYZVOV-SFHVURJKSA-N 378.875 3.821 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)C[C@@H]2CCc3ccccc3C2)cc1 1875383978 IHFAUYJFOUZZOC-FUHWJXTLSA-N 398.934 3.914 50 50 GHGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 253499038 CDZFBBLHHNZLCF-MVNRUQPGSA-N 387.524 3.905 50 50 GHGA biogenic COc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2753436 PYAQDPZWZUNESV-UHFFFAOYSA-N 397.258 3.622 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H]1CC1(c1ccccc1)c1ccccc1 811490 CGEUAFLHYZXMQN-OVBDPADQSA-N 375.384 3.644 50 50 GHGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2520109 NAQDWQRHRRRGLO-WSDLNYQXSA-N 398.415 3.636 50 50 GHGA Cc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 690775 AXHHXZKNQQQCHK-CVDCTZTESA-N 398.510 3.966 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccccc1F 1296224 BHMFEPAULGCGTA-HNNXBMFYSA-N 399.422 3.675 50 50 GHGA CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)c(OCC)c1 17077715 JVCCHSRBFYUWIX-DHDCSXOGSA-N 380.400 3.758 50 50 GHGA COC(=O)[C@@H](Cl)C12CC3(C)CC(C)(C1)CC([C@H](Cl)C(=O)OC)(C3)C2 4582321 VNCNDLWHRXLTQV-XNBOVLKKSA-N 377.308 3.914 50 50 GHGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(F)c2)=C1C#N 729003 XHKMJNLLZLXDQA-QGZVFWFLSA-N 395.459 3.845 50 50 GHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccccc1 4167692 MOAPSTSGFBCHPR-HXUWFJFHSA-N 388.427 3.524 50 50 GHGA COc1ccccc1OCC(=O)N/N=C/c1cc2cccc(C)c2nc1Cl 1206911 JPYRNFYEWWKTPM-SSDVNMTOSA-N 383.835 3.734 50 50 GHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1O 5130270 WXMJSDGRDNIWCO-MRXNPFEDSA-N 394.818 3.662 50 50 GHGA O=C(O)[C@@H]1C[C@H](Br)[C@H](Br)C[C@H]1Cc1ccccc1 101825225 AAALQQFPMTXRQS-LPWJVIDDSA-N 376.088 3.867 50 50 GHGA O=C(Cc1ccc(Br)cc1)NNC(=O)Nc1cccc2ccccc12 673507 STEMKBSUMFUOAF-UHFFFAOYSA-N 398.260 3.998 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2ccc(C)s2)nnc1-c1ccccc1 864002 CJXYHYMCXCTDSB-YBFXNURJSA-N 385.518 3.577 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 5403172 KXXZTKKSIWPQMJ-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA O=C(CCSCc1c[nH]c2ccccc12)NNC(=O)c1cc2ccccc2[nH]1 334162940 HXFHBWCPKURPCG-UHFFFAOYSA-N 392.484 3.734 50 50 GHGA Cc1ccc(-c2ccc(C(=O)NNC(=O)c3scnc3C)c(F)c2)cc1C 170622983 YCJZHAVFHRFWMC-UHFFFAOYSA-N 383.448 3.949 50 50 GHGA BrCc1cccc(Br)c1I 164887917 FEOSCXDDTOBETE-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA Cc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690781 AXHHXZKNQQQCHK-AUSIDOKSSA-N 398.510 3.966 50 50 GHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 4283573 YHVOLUZEBBFZCZ-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)CCCCCCCCC)c1 102293637 HJCQTHMNQDTSTL-JJIBRWJFSA-N 387.524 3.958 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)n(-c3ccccc3)n2)cc1 25559272 BZPCGLIMERQYPW-PCLIKHOPSA-N 397.438 3.707 50 50 GHGA O=C(COc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1 1193325 HTHZGEOCXUEHKL-ZVHZXABRSA-N 378.403 3.934 50 50 GHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@H](CC(C)(C)C)CC3)cc1OC 5295950 BEVAQYRYJLNDKW-JMKVTYIUSA-N 398.507 3.732 50 50 GHGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1O 5721528 ILBDULBZTAYOMF-WTJYETQFSA-N 390.439 3.985 50 50 GHGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 799237 NAVQYRRUELDSTR-HYARGMPZSA-N 391.431 3.842 50 50 GHGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2)cc1 2544306 UUTPZLZQLLDKBZ-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(OC)cc2)[nH]n1 5318960 OCLWCDDFPCVJCD-HYARGMPZSA-N 378.432 3.638 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 752554 RMVLDLJOAYSXPC-HNNXBMFYSA-N 391.265 3.874 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)[C@H]1COc2ccccc2O1 1226697 QDAPJGDTFDWBOV-AZHVYHFMSA-N 382.803 3.890 50 50 GHGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 1227888 MUHWYWPXQBJPNU-FVMDXXJSSA-N 389.249 3.518 50 50 GHGA CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1cccs1 1215205 LCZZGSYJCZVVJD-LPYMAVHISA-N 395.440 3.525 50 50 GHGA Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1)C(Cl)Cl 5334686 FGLJVQRTSHSANQ-OAHLLOKOSA-N 382.316 3.841 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 1875383806 FCSWZZSBHGSPMH-HNNXBMFYSA-N 384.907 3.911 50 50 GHGA N#C/C(=C\c1ccc(COc2ccccc2Cl)o1)C(=O)NC[C@@H]1CCCO1 17079002 BELTWRGBSWKYQA-DKGMDFAASA-N 386.835 3.714 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC 17016300 GWGPBNSBECAPJC-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 4312639 NMKFICHZHAJPMS-AWQFTUOYSA-N 375.215 3.853 50 50 GHGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O 1140531 ZJUOFGADJVXOSB-UHFFFAOYSA-N 388.335 3.615 50 50 GHGA O=C(CCl)N(CC1CC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 261508406 SBPCYBWGYDLQFD-UHFFFAOYSA-N 389.723 3.981 50 50 GHGA CC(C)n1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCCCl)cc2)n1 864097624 ZPYHAJSHEKDAMN-UHFFFAOYSA-N 398.916 3.612 50 50 GHGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCSSCCC(=O)O 1875388613 IGUJQFTWJMIZOB-SECBINFHSA-N 398.333 3.733 50 50 GHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(O)cc1 4372834 MRQQRSBTDGCYLT-OEAKJJBVSA-N 376.412 3.500 50 50 GHGA C[C@H](Cl)C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 1875363978 GOVFNIKFNJYYFY-SFHVURJKSA-N 386.923 3.564 50 50 GHGA BrCc1ccc(Br)cc1I 91302721 IHHHQROJDZQCQH-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA O=C1[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl 1711670 IZHZFAQWVKBTSL-YTMKBKNTSA-N 380.913 3.809 50 50 GHGA O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1 663041 TVEMAYYSQJEYMW-UHFFFAOYSA-N 394.667 3.662 50 50 GHGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)cc1 1775977095 WDFKMQMLLQSBCR-OAQYLSRUSA-N 383.407 3.827 50 50 GHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 4550839 DVXRQIHJGNCWJC-VXLYETTFSA-N 382.203 3.821 50 50 GHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]2C1 4906160 YSBSLQRCXADTIO-RDJZCZTQSA-N 398.297 3.739 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)c(OC)c1 1193031 PIAANGLJGPAWFW-YBFXNURJSA-N 377.238 3.620 50 50 GHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc3ccccc23)n[nH]1 17146003 PXVIVRKKRQKLAX-LPYMAVHISA-N 385.383 3.902 50 50 GHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 4112968 CKBYWMTYGITIOR-CIAFOILYSA-N 390.472 3.705 50 50 GHGA CC(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 2854708 LQEORDZPYARREX-UHFFFAOYSA-N 380.231 3.591 50 50 GHGA O=C(N/N=C/C=C/c1ccco1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 5009635 YJRXPJMPKSMMJK-WEQABYLISA-N 385.423 3.866 50 50 GHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1 705980 FFZRWNFXKAKXCB-HXUWFJFHSA-N 376.412 3.520 50 50 GHGA C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)c2ccccc2)cc1 13322312 KCEBIHHIJVUULE-ZVHZXABRSA-N 389.411 3.504 50 50 GHGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)[C@H]2CC=Cc3ccccc32)CC1 1875384460 QATLLAKYBDFYMH-IBGZPJMESA-N 388.939 3.807 50 50 GHGA CCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)C(Cl)Cl 1430867 FKQWYRHWRMCCFJ-UHFFFAOYSA-N 391.276 3.670 50 50 GHGA CC(C)(c1ccc(OC[C@@H]2CO2)cc1)c1ccc(OC[C@@H](O)CCl)cc1 6693087 HLLOKZYCSSQYEB-FXAWDEMLSA-N 376.880 3.769 50 50 GHGA biogenic,in-vitro C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 33340478 NZPZZBSZXAZQQV-RGVLZGJSSA-N 383.795 3.792 50 50 GHGA Cc1ccc2[nH]c(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)cc2c1C 748341115 PBAOCKOZVPPEQG-UHFFFAOYSA-N 398.470 3.882 50 50 GHGA COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1206015 YHYLFDXMWCCKLF-FYJGNVAPSA-N 379.372 3.556 50 50 GHGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2oc3ccccc3c2C)cc1 2851927 WBWMXACHKWFJBQ-UHFFFAOYSA-N 397.456 3.549 50 50 GHGA CC(C)c1cc(C(=O)NNC(=S)NCc2ccco2)c(O)c(C(C)C)c1 8682745 YZHISBURYLNRQG-UHFFFAOYSA-N 375.494 3.541 50 50 GHGA CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1 17077166 ALVAEGXQAARURN-LBPRGKRZSA-N 377.391 3.708 50 50 GHGA COc1cccc(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1 2850870 PDCOWMXGWLXKMW-UHFFFAOYSA-N 398.644 3.578 50 50 GHGA O=C(NNC(=S)Nc1ccccc1)c1ccccc1OCc1ccccc1 2884889 ORANUPMBEUKHBG-UHFFFAOYSA-N 377.469 3.897 50 50 GHGA CCCOc1ccccc1/C=N/NC(=O)N/N=C/c1ccccc1OCCC 2848932 YIFNYOKAFARUGS-QAOSGDJLSA-N 382.464 3.931 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 4751308 DDRWAQFTYSCTIT-LJQANCHMSA-N 378.384 3.560 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 4259276 PJHGWSZDRMXHCW-UDWIEESQSA-N 395.396 3.639 50 50 GHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)[nH]n1 5319287 SJAIOXNMBXTVOA-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 4751335 ADDQMWWSSFSDPR-SFHVURJKSA-N 379.372 3.740 50 50 GHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1 4954874 ICYFCPAAQNUPSG-KYGIIIMWSA-N 394.374 3.868 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 5034128 CZMSEFWMIUJYDY-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(O)c1 102294404 NRIPZKJNFTZQEI-XQNSMLJCSA-N 375.513 3.879 50 50 GHGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1O 3162102 ZQQKQZIIDRDYHM-HIQXPHMNSA-N 390.439 3.889 50 50 GHGA CC[C@@H](C(=O)N1CCC(CNC(=O)CCl)(c2ccccc2)CC1)C(C)C 1875384755 WKUQYZRZGYDXMQ-GOSISDBHSA-N 378.944 3.584 50 50 GHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1I 3153780 LQCLZQYWFIAYGM-VXLYETTFSA-N 389.196 3.536 50 50 GHGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O 627461 RXTDGWPWKOIROQ-INIZCTEOSA-N 389.249 3.655 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F 1427313 YSUVAFHUMQVVQB-INIZCTEOSA-N 397.356 3.775 50 50 GHGA O=C(NCc1ccc(-c2ccncc2)cc1)NNC(=O)c1ccc(Cl)cc1F 363565747 HJSSBSPDNXOAIH-UHFFFAOYSA-N 398.825 3.685 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccncc1 12680712 VGEPGLZAKBXCEZ-AFUMVMLFSA-N 381.439 3.878 50 50 GHGA CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C 169744752 QKFMTAHXVXFZEZ-QRVBRYPASA-N 386.561 3.954 50 50 GHGA Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)cc1 55425616 ZYLWWGZHBUYHNP-UWVJOHFNSA-N 397.656 3.646 50 50 GHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1 4295978 BANZZQQDHPTWRZ-MFKUBSTISA-N 389.455 3.509 50 50 GHGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 5041847 DJFCYBCGPRMHBA-UHFFFAOYSA-N 392.440 3.893 50 50 GHGA NNC(=O)c1ccc(NC(=O)CN2c3ccccc3Sc3ccccc32)cc1 631120 UVWKIPLKWSSGSA-UHFFFAOYSA-N 390.468 3.532 50 50 GHGA O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O 1208954 FZBKISYFZPPHRP-SRZZPIQSSA-N 399.244 3.837 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1O 2520031 SYKWVIMFLNZNSO-YDZHTSKRSA-N 378.359 3.514 50 50 GHGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC 2506279 SVABTBCYWXGJPR-UDWIEESQSA-N 389.249 3.786 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 1875384710 VDJLNRABNOENGX-HXUWFJFHSA-N 386.923 3.802 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1C[C@H](c1ccccc1)CC2=O 690750 NSDNWJXIHBOPHZ-AVRDEDQJSA-N 384.483 3.657 50 50 GHGA C[C@@H]1CN(C(=O)c2ccc(C3CCCC3)cc2)C[C@H]1CCNC(=O)CCl 1875383079 FZFOFWGIZGKUFL-DNVCBOLYSA-N 376.928 3.797 50 50 GHGA N#C/C(=C/N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472571 SXSQGUAVWCBKPV-DAFNUICNSA-N 399.454 3.678 50 50 GHGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Br)cc1 2374458 VEFLMADNCVCUON-WVISFHDSSA-N 385.265 3.585 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)cc1 1875384740 VVTGNIPVOSJFIS-CQSZACIVSA-N 390.886 3.836 50 50 GHGA COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(C)c1C 3136555 NAHPLQIUAUKYSE-KEBDBYFISA-N 391.265 3.604 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)c1sccc1C(F)F)C1CCCCC1 1875383720 DHUQRFVOLPHGOJ-LBPRGKRZSA-N 378.872 3.719 50 50 GHGA C#C[C@H](O)C[C@H]1CC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833804 BCGNHEVRRVBNIV-ZFGGDYGUSA-N 390.599 3.892 50 50 GHGA CC(C)[C@H](CCN(C)C(=O)c1cc(Cl)c(Cl)s1)NC(=O)CCl 1875384851 XPTKHXFNXFGSGU-JTQLQIEISA-N 385.744 3.897 50 50 GHGA COc1ccccc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 1233616 PNBXQNQHIKYBHR-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 1431944 IZJWQYMJRXSKOX-JTQLQIEISA-N 394.287 3.696 50 50 GHGA CC/C(=N/NC(=O)c1ccccc1I)c1ccc(O)cc1 1229155 GCUZAJGARKTMMI-SDXDJHTJSA-N 394.212 3.541 50 50 GHGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)cc1 2576229 BNJHWYZOQJEAKG-YBFXNURJSA-N 377.238 3.620 50 50 GHGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4229866 KQKULNIRSVIRDA-KIHMUJGBSA-N 398.806 3.714 50 50 GHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 4180884 AZCXOIDHAUDGPC-FQEVSTJZSA-N 386.411 3.900 50 50 GHGA O=C(NNC(=O)c1ccc(O)c(O)c1)Nc1ccccc1SC1CCCC1 252486163 HIHHKEUZYHDICR-UHFFFAOYSA-N 387.461 3.599 50 50 GHGA Cc1cccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)c1 5815226 QWYKVJPZWGUCFO-UHFFFAOYSA-N 387.365 3.647 50 50 GHGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)[C@H]1COc2ccccc2O1 805091 YAYLBVCSADUATD-AZHVYHFMSA-N 382.803 3.890 50 50 GHGA CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nc2ccccc21 4135625 PAWGEHNQSCGEIX-BKUYFWCQSA-N 397.460 3.597 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)c(Br)c1 727849 HTLQYTORJDLISQ-CQSZACIVSA-N 395.228 3.623 50 50 GHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1Br 752618 YRQQZCWPLABILS-XXFAHNHDSA-N 389.249 3.518 50 50 GHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(Br)c1 752682 PRUNJFZRTLACML-ANRSDYALSA-N 377.213 3.649 50 50 GHGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 6138464 BFSALGAKTACSNS-IBGZPJMESA-N 382.485 3.720 50 50 GHGA Cc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 20026614 CBXMRVYGDPZUCM-RBBKRZOGSA-N 395.466 3.514 50 50 GHGA Cc1ccc(S[C@H](C)C(=O)N(C)C2CCC(NC(=O)CCl)CC2)cc1 1875383906 GUVRRDRMEAESTB-QQFBHYJXSA-N 382.957 3.600 50 50 GHGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cnn(C)c3)C3=C2CCCC3=O)cc1Cl 2754287 FJWUYUGTGXTNQZ-LJQANCHMSA-N 393.878 3.687 50 50 GHGA Cc1ccc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)cc1 1875384436 OZCHUENZRABPJX-HXUWFJFHSA-N 380.875 3.974 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1176211 KXTNVIDEZYPXDD-KPZWWZAWSA-N 393.424 3.865 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1O 8972588 CUKJVQRWQSAZFV-RGVLZGJSSA-N 399.248 3.699 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1O)NC12CC3CC(CC(C3)C1)C2 4031882 KUNPQSMQUXQBET-KEBDBYFISA-N 392.297 3.757 50 50 GHGA CCOP(=O)(OCC)/C(=N/NC(=O)c1ccccc1O)c1ccccc1 3126023 QKQOAIGDJDVWEZ-CZIZESTLSA-N 376.349 3.750 50 50 GHGA CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C1 4677655 WULGKJDOSGTNHD-OMBDHMDGSA-N 383.452 3.623 50 50 GHGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccccc3O)cc12 793957 BFLLDQSCLAOSQI-CIAFOILYSA-N 376.441 3.865 50 50 GHGA COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)c1 1775975007 AZIBBASHKDTFFD-NRFANRHFSA-N 399.406 3.528 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 4283455 ZAMCCWUFFZLKRY-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1OC 5296040 DLIYBOXWEVJCJC-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA Cc1ccc(SCc2[nH]nc3c2C2(CCSCC2)C(C#N)=C(N)O3)cc1 6492258 OYSSCFVSXZJISP-UHFFFAOYSA-N 384.530 3.862 50 50 GHGA CCOc1ccc(OCc2cccc(C(=O)N/N=C/c3cccnc3)c2)cc1 1009076 KIZAMRQLXKZVTN-BUVRLJJBSA-N 375.428 3.823 50 50 GHGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/NC(N)=O)CC[C@H]32)C1 253497477 CDZFBBLHHNZLCF-WOPAXDAVSA-N 387.524 3.905 50 50 GHGA Cc1ccccc1COc1cccc(/C=N/NC(=O)c2cc(O)ccc2O)c1 13321364 MUVDWXSLEAFGPB-YDZHTSKRSA-N 376.412 3.749 50 50 GHGA COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 5612668 VBSNTHZLWLEJLW-VCHYOVAHSA-N 392.209 3.520 50 50 GHGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(Cl)c1 2755961 JHCAGKVKMUXRSJ-CNHKJKLMSA-N 381.613 3.595 50 50 GHGA O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc(F)c1 1229843 ZUAPRFBLLHVKCD-OMCISZLKSA-N 390.006 3.708 50 50 GHGA COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1 1392926 DYMVTMRZKKPZNB-QGMBQPNBSA-N 383.629 3.581 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1O 4360299 VVWGPANICBGPNP-QKIXXSFTSA-N 378.428 3.862 50 50 GHGA Cc1nc(=N)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1C 585681230 OANYLGJBNIBWKT-UHFFFAOYSA-N 398.470 3.702 50 50 GHGA N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1ccc(N2CCOCC2)c(F)c1 8782278 VHUFKYMDDDFYIS-LFIBNONCSA-N 375.403 3.933 50 50 GHGA O=C(NNC(=O)c1ccc(-n2cccc2)cc1)Nc1cccc(C(F)(F)F)c1 17079234 SXRGWPYCXOKICQ-UHFFFAOYSA-N 388.349 3.963 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 4231400 HQCCHYZOGOMLIB-LPYMAVHISA-N 386.883 3.583 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 989308 RJPKQEDERUZFEJ-OAHLLOKOSA-N 393.790 3.856 50 50 GHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 5612623 CKIYPMYYALHIIQ-WSDLNYQXSA-N 394.258 3.893 50 50 GHGA C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 4948961 VEEKJQIDROIHPV-UDWIEESQSA-N 378.344 3.810 50 50 GHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 1084980 VRVJBIGTYGREEP-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 1471892 FJPNSMIONOMVSB-CYBMUJFWSA-N 387.650 3.857 50 50 GHGA COc1cc(OC)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 628651 WLWLGBOQURBNPS-HXUWFJFHSA-N 382.460 3.840 50 50 GHGA O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 608263 ODCUSWJXZDHLKV-UHFFFAOYSA-N 399.230 3.512 50 50 GHGA in-man O=[N+]([O-])c1c(CP(=O)(c2ccccc2)c2ccccc2)ccc2c1OCCO2 110436162 PBBDIKHNKXLOLC-UHFFFAOYSA-N 395.351 3.880 50 50 GHGA O=C(CCCCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 25577844 LDWMFPRPPWASFX-GJHDBBOXSA-N 378.476 3.628 50 50 GHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cnn(C)c2C)c2ccccc2n1 689210 VFAJFCUDOHXRLO-ZMOGYAJESA-N 399.454 3.716 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Cl)cc1 8683414 VPCZBBNDFOPQJL-RGVLZGJSSA-N 383.795 3.792 50 50 GHGA CC(C)(C)OC(=O)NN[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100233814 JFFXUUKZOHZTHR-UHFFFAOYSA-O 393.447 3.925 50 50 GHGA in-vitro CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 1216294 FWGIMRDEQOWGGQ-LPYMAVHISA-N 393.399 3.676 50 50 GHGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2853652 YIZOWHJPXQTQHQ-UHFFFAOYSA-N 385.232 3.533 50 50 GHGA O=C(Cn1cnc2ccccc21)N/N=C/C(Br)=C/c1ccccc1 12512034 POVNBUJGQZVBBA-AWTHELJJSA-N 383.249 3.574 50 50 GHGA CC(C)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2892272 VZRBDWWHLQVGIY-FOKLQQMPSA-N 393.365 3.581 50 50 GHGA C[C@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)c1ccc(Cl)s1 1875383917 HFYZKAJHHKUNSG-NSHDSACASA-N 377.337 3.679 50 50 GHGA C[C@H]1CCCC[C@H]1OCCN(Cc1nn(C)c2ccccc12)C(=O)CCl 1875384944 YWGYKWPOMSVVPB-HNAYVOBHSA-N 377.916 3.736 50 50 GHGA COc1ccc(-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)[nH]n2)cc1 244690888 IYSBOJVXPZPYMU-UHFFFAOYSA-N 386.411 3.708 50 50 GHGA O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@@]2(CCNC2)C1 842762718 ILLSVNBUYSXFRZ-CYBMUJFWSA-N 392.415 3.718 50 50 GHGA CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)Nc2cc(C)ccc2C)cc1 17076823 WWEONVCRRNDAGK-AWEZNQCLSA-N 375.494 3.832 50 50 GHGA N#Cc1ccc(NNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c(C(F)(F)F)c1 799753079 MDOSAGGTOKXKTD-UHFFFAOYSA-N 398.344 3.893 50 50 GHGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c2ccccc12 695880 YYMLREMUODSSOT-CYGNYLSHSA-N 393.399 3.674 50 50 GHGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2388521 KWZFOKQRKKBPNF-VCHYOVAHSA-N 392.209 3.520 50 50 GHGA N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 15745781 IRHUPGJDCPLGAD-WDZFZDKYSA-N 388.177 3.609 50 50 GHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)s1 712341 VXZDDOLNTVQFGL-ZDUSSCGKSA-N 379.279 3.961 50 50 GHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)cc1 4210384 NJNSXAUVMOUMDA-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)c(C)s1 4978934 FJVCVDKSMDBCNP-INIZCTEOSA-N 392.440 3.702 50 50 GHGA C/C(=N/NC(=O)c1csc(C)c1C)c1ccc(NC(=O)c2ccnn2C)cc1 5959020 UJXISSDUKWBVAL-QRVIBDJDSA-N 395.488 3.505 50 50 GHGA CCc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)s1 6489969 ZNQBQZJLWKHUTA-XYOKQWHBSA-N 398.513 3.800 50 50 GHGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O 35337261 SQNOUEAYAPZQFX-LPYMAVHISA-N 393.399 3.545 50 50 GHGA CC(=O)c1ccc(NC(=S)NNC(=O)Cc2c(Cl)cccc2Cl)cc1 1121585 OYPGNOPEDYIRKI-UHFFFAOYSA-N 396.299 3.756 50 50 GHGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OC 799097 PQZGNCOEQVQSRY-VXLYETTFSA-N 387.486 3.556 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1154596 WBOYGVMLRDCKDR-OAHLLOKOSA-N 393.790 3.856 50 50 GHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 4210375 IJCPTNONNCWOTD-ZMOGYAJESA-N 385.423 3.964 50 50 GHGA O=C(CCCC[C@@H]1CCSS1)N[C@H](Cc1nnc[nH]1)c1ccccc1 225578040 SOEACGJKNUBGRV-HZPDHXFCSA-N 376.551 3.919 50 50 GHGA CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccccc1 2362523 OBVJTZIZWYNKSG-XLLHXKPXSA-N 395.488 3.856 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c(C)s1 4978874 BLPJDXMCDUAFQT-OAHLLOKOSA-N 393.428 3.881 50 50 GHGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(N)=S 2881951 YVWDKHUXUJYABQ-VMPITWQZSA-N 378.207 3.810 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2cccs2)nnc1-c1ccccc1 863978 AUMVDQHXBLCDNW-CPNJWEJPSA-N 385.518 3.659 50 50 GHGA CC(C)(C)c1cc(CN(Cc2cccc3nsnc23)C(=O)CCl)no1 1875384957 ZIORZLIHVDNUJD-UHFFFAOYSA-N 378.885 3.744 50 50 GHGA Cc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 49574145 CBXMRVYGDPZUCM-IFMALSPDSA-N 395.466 3.514 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)ccc1O 668439 ZWDPVPPUSKKQOP-PUFAJPFRSA-N 376.840 3.670 50 50 GHGA CC(=NNC(=O)c1cccc(C(=O)NN=C(C)c2ccccc2)c1)c1ccccc1 257358520 UYHRQBIAFYQRSY-UHFFFAOYSA-N 398.466 3.995 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1OC 5297306 JOVUPGHHXGCWOO-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 5296516 GXJSSZSYCXUAPM-RGVLZGJSSA-N 383.795 3.792 50 50 GHGA CC(C)(C)c1coc(CN(C[C@H]2OCCc3ccccc32)C(=O)CCl)n1 1875384483 QKOWMWKWGIHXTM-MRXNPFEDSA-N 376.884 3.854 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(OCC)cc3)c2C)cc1 4677672 OJNOYRUMTHEHFE-OEAKJJBVSA-N 392.459 3.946 50 50 GHGA C/C(=N\NC(=O)c1ccccn1)c1cccc(NC(=O)c2sccc2C)c1 17077395 QDTFPQKFNLDAOK-OEAKJJBVSA-N 378.457 3.858 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1C[C@H](c1ccccc1)CC2=O 691066 VRYLDPPYHTVCMC-YWZLYKJASA-N 390.512 3.719 50 50 GHGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)NC2CCCCC2)=C1C#N 1137415 XMKFKLMPKQWQAF-QGZVFWFLSA-N 383.517 3.516 50 50 GHGA O=C(N/N=C/c1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 1233880 WQQWBFCRBOOHJE-PCLIKHOPSA-N 379.423 3.970 50 50 GHGA CC(C)(C)OC(=O)NNC(=S)Nc1ccc(Br)cc1Cl 2854957 PZPZOEUJJVAEOC-UHFFFAOYSA-N 380.695 3.829 50 50 GHGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cnccc1N1C[C@H]2C[C@H]2C1 1875347188 KDFGWIKGMAQYCK-OKILXGFUSA-N 390.484 3.719 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1 1875383971 HXXAYBCPOHKGKY-QRWLVFNGSA-N 384.907 3.524 50 50 GHGA CCOP(=O)(OCC)[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 3157765 NVXFVWXCRQGWNX-ZETCQYMHSA-N 395.434 3.869 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)c1 5125797 OGKWKCCALXLOPR-OGMQXUJQSA-N 376.416 3.523 50 50 GHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccccc1 3340249 GPWHOITXOCYVCW-OEAKJJBVSA-N 376.412 3.744 50 50 GHGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Br)cc1 4527910 XWQMMNHJJAIHLD-WLGVBFMHSA-N 386.249 3.593 50 50 GHGA Cc1cc(OCCCC(=O)NCCSSCCC(=O)O)ccc1Cl 1875389008 YHXRZLYFMOGYDR-UHFFFAOYSA-N 391.942 3.780 50 50 GHGA Br[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1Br 100957685 RPHHTGJFIDZLLP-GUCUJZIJSA-N 399.746 3.834 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1cccc([N+](=O)[O-])c1 1154597 WBOYGVMLRDCKDR-HNNXBMFYSA-N 393.790 3.856 50 50 GHGA CCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)ccc1OC 17077712 WOPWKQWRGGQHIL-DHDCSXOGSA-N 380.400 3.758 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2ccn(C3CCCCC3)n2)CCCCCC1 1875384015 JJIXAZIAVRVHON-UHFFFAOYSA-N 394.947 3.566 50 50 GHGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1O 3162100 ZQQKQZIIDRDYHM-SYXCRGJESA-N 390.439 3.889 50 50 GHGA O=C(NNC(=O)c1ccc(OC2CCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 5042073 NRFBRPXAATVUHC-UHFFFAOYSA-N 397.519 3.921 50 50 GHGA COC(=O)[C@@H](Cl)C12CC3([C@@H](Cl)C(=O)OC)C[C@](C)(C1)C[C@](C)(C2)C3 254823093 VNCNDLWHRXLTQV-GWQQXABGSA-N 377.308 3.914 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1 1191921 YUGIQBCDMWLKCL-RGVLZGJSSA-N 390.827 3.564 50 50 GHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 1022596 ATHNKHRIOIAATR-HXUWFJFHSA-N 386.411 3.900 50 50 GHGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)cc1 2506329 DFJIIVUQTYSOEW-UDWIEESQSA-N 389.249 3.786 50 50 GHGA Cc1cc(I)ccc1NCC(=O)N/N=C1/CCCC[C@@H]1C 32492081 VUZWCBUMUJHTCS-HSHIVQNRSA-N 399.276 3.694 50 50 GHGA CC(C)c1ccccc1O[C@H](C)C(=O)NNC(=S)Nc1cccc(F)c1 5041476 JZYYYSBQAGSNHK-CYBMUJFWSA-N 375.469 3.734 50 50 GHGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5359018 OGQBYSPDABLARA-WYMPLXKRSA-N 398.422 3.504 50 50 GHGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C[C@H](Cl)[C@@]2(O)C1 252693519 DNJABCBTMIQRHM-GKWQKPSASA-N 382.928 3.862 50 50 GHGA biogenic CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OCC)c2)C(C#N)=C(N)O1 1228449 CJKZHPZKCMEPMY-GOSISDBHSA-N 386.448 3.519 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(F)cc1 4261142 FYHTWBQUMHHHSU-ZMOGYAJESA-N 380.350 3.948 50 50 GHGA O=C(N/N=C/c1cccs1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2906408 MVKJUORJOZPXDT-ZXKVDMDYSA-N 375.453 3.669 50 50 GHGA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N/N=C/c3ccc(F)cc3)cs2)n1 1393633 HOWDRTWSAVCJSF-QPSGOUHRSA-N 397.357 3.559 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 1427327 ODFWYKURCZKVJV-FQEVSTJZSA-N 379.419 3.910 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(O)cc1 4261118 OQPGULOAZJKYMU-YDZHTSKRSA-N 378.359 3.514 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]n2)cc1 5317576 IHYRMSALQLHLKE-KEBDBYFISA-N 383.795 3.711 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc2ccccc2c1 753428 IXFHVLRSLDDGAP-IBGZPJMESA-N 378.387 3.981 50 50 GHGA N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ccccc2[nH]1 4755669 ILEFICPYVHYZCB-KAMYIIQDSA-N 390.424 3.534 50 50 GHGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2cc(Cl)ccc2Cl)c1 669034 XPTBTHVWEVPCSD-SSDVNMTOSA-N 394.258 3.871 50 50 GHGA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2563274 NJDZCCJYUBNBMK-KSSFIOAISA-N 386.404 3.841 50 50 GHGA in-vitro C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 4283477 JOYLQSVOKZNRLA-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1Cl 2553783 RCWLGDDIBGKIRG-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA CO[C@H](/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@H]1CCOC1 1875266162 DLAAJJDVIIIQKD-GYSNRACHSA-N 395.484 3.730 50 50 GHGA N#CC1=C(N)N2C(=C(C#N)C13CCN(Cc1ccccc1)CC3)Nc1ccccc12 54104384 IPVTXYCCOAENDG-UHFFFAOYSA-N 394.482 3.644 50 50 GHGA O=C(CCl)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2cc(F)ccc12 1875383911 HDPHDYRKPFBCFE-KSSFIOAISA-N 376.859 3.623 50 50 GHGA CC1=C(C#N)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1 636879 SCYHRGKBAHTZKD-KRWDZBQOSA-N 387.233 3.669 50 50 GHGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4610689 VVKZKKNGJQKDTM-UHFFFAOYSA-N 378.344 3.927 50 50 GHGA CCOC(=O)c1c(N)sc(/C(C)=N/NC(=O)c2cccc(Cl)c2)c1C 4964998 DOCUSWPOSJTLFV-KEBDBYFISA-N 379.869 3.623 50 50 GHGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c2ccccc12 695878 YYMLREMUODSSOT-KOUDTOEKSA-N 393.399 3.674 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)c1 4160151 AUDFAQRFURSACQ-KSSPAFGBSA-N 390.443 3.913 50 50 GHGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc1 2856013 KSRVTVWWMSYGEW-UHFFFAOYSA-N 397.422 3.664 50 50 GHGA CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 4366247 BHGZANOUTRBHFS-RGVLZGJSSA-N 391.265 3.636 50 50 GHGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1 5728534 AMHUFVOMZWYSSF-LSHDLFTRSA-N 398.850 3.576 50 50 GHGA Cc1nc(-c2ccccc2)sc1C(=O)N/N=c1/c(=O)c2cccc3cccc1c32 111127403 JEKSTKIGJLRGCH-NCELDCMTSA-N 397.459 3.906 50 50 GHGA CC(=O)c1ccc(NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 2852633 HPGUSSVQHCSLEN-UHFFFAOYSA-N 399.516 3.583 50 50 GHGA O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccc(C(F)(F)F)c1 4867501 UKIFUCFTPLVENS-UHFFFAOYSA-N 387.745 3.591 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1F 2519919 NXJPNYGXKLJUSK-ZMOGYAJESA-N 380.350 3.948 50 50 GHGA CSc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1 32614498 BOTKJGJJFPKQLX-CXFFPLRNSA-N 378.453 3.852 50 50 GHGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 941955 ABKCIFFMMMHBQM-XMOVILSBSA-N 376.840 3.665 50 50 GHGA C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 2502655 RUYMLYJXBMNGQC-GOSISDBHSA-N 384.819 3.837 50 50 GHGA N#C/C(=C\c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1nccs1 17080966 BPSSYYTWGQJGDO-FMIVXFBMSA-N 396.384 3.769 50 50 GHGA Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC3CCCCC3)=C2C#N)cc1 2835629 KQRBEJXICNPOHU-KRWDZBQOSA-N 383.517 3.516 50 50 GHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1O 867774 UZMOHGOSEGDQKQ-SRZZPIQSSA-N 384.823 3.598 50 50 GHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc[n+](Cc2ccccc2)c1 1500497 QQDNVANLYYGZIH-UHFFFAOYSA-O 382.443 3.645 50 50 GHGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 844178 TWJJAWGOQGBDIJ-IBGZPJMESA-N 387.439 3.857 50 50 GHGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 941953 ABKCIFFMMMHBQM-LNOXHEFASA-N 376.840 3.665 50 50 GHGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2519929 SHQXSFJPMBEMBU-ZVHZXABRSA-N 392.386 3.574 50 50 GHGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cnccc1N1C[C@H]2C[C@@H]2C1 1875347189 KDFGWIKGMAQYCK-ZIAGYGMSSA-N 390.484 3.719 50 50 GHGA Cc1c(Cl)cccc1NC(=S)NNC(=O)[C@H](C)Oc1ccc(F)cc1F 2851415 CQJGVFQMFAQEJD-JTQLQIEISA-N 399.850 3.712 50 50 GHGA Cn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nc2ccccc21 945932 XCIALDDPAFNRSI-AWQFTUOYSA-N 376.844 3.608 50 50 GHGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1 5795818 VTULXLMIBQRMBA-UFFVCSGVSA-N 398.806 3.634 50 50 GHGA COP(=O)(OC)O[C@@H](Br)C(Cl)(Cl)Br 3874472 BUYMVQAILCEWRR-GSVOUGTGSA-N 380.784 3.651 50 50 GHGA endogenous,in-man O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccncc1 4366627 AECWRVHIYUXZKL-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA BrCC(CBr)(CBr)CBr 1648356 OYSVBCSOQFXYHK-UHFFFAOYSA-N 387.735 3.552 50 50 GHGA in-vitro Cc1ccc(O[C@H](C)C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2884635 WUWUFAQEGMXIDG-GOSISDBHSA-N 388.467 3.742 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 4953976 WNUXKZKFMGSZBB-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccccc2F)cc1C 6574432 XYLQCLZJDBSPIC-UHFFFAOYSA-N 377.510 3.694 50 50 GHGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 1454689 BMFNZUYIZZGQCO-KEBDBYFISA-N 387.212 3.742 50 50 GHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 4210907 XKTGIHFSELMWBW-OEAKJJBVSA-N 375.428 3.629 50 50 GHGA CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 2689971 VKVZIIKRZHQYIF-UHFFFAOYSA-N 390.311 3.509 50 50 GHGA C/C(N)=C(\C#N)C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 207006373 SPKRYJIGVWGWID-AQGKRHBTSA-N 392.499 3.702 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)c1O 5353188 FOTSTMUZXVKTOE-DXRSZSRVSA-N 380.492 3.759 50 50 GHGA CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 3147324 AZVANBOSZAQRBY-DZUMZMOTSA-N 391.265 3.765 50 50 GHGA Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 705353 NYUFFUQPTJBUIO-CIAFOILYSA-N 395.444 3.552 50 50 GHGA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2938634 NJDZCCJYUBNBMK-KDOFPFPSSA-N 386.404 3.841 50 50 GHGA O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccc(Cl)cc1 1393737 GGDGSFWRUUGODI-UHFFFAOYSA-N 379.803 3.952 50 50 GHGA O=C(C[C@H]1CCCCCC1(F)F)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384730 VQYBISRTIKMHQJ-HZPDHXFCSA-N 386.870 3.805 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2ccccc2C)nnc1-c1ccccc1 864016 VNZZVIKSACTFHV-FYJGNVAPSA-N 379.489 3.516 50 50 GHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cl)cc(Cl)c1OC 625341 NCWBZUNVMCNPTL-CQSZACIVSA-N 383.231 3.647 50 50 GHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)cs1 1085550 ORZVHCOLNNOCTF-ZDUSSCGKSA-N 379.279 3.961 50 50 GHGA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2571403 UALXQWNUXKECJD-SFHVURJKSA-N 386.404 3.841 50 50 GHGA CCCCCCCCCn1c(SCCCl)nc2c1c(=O)[nH]c(=O)n2C 3109195 IGCZITSTEKGPAN-UHFFFAOYSA-N 386.949 3.505 50 50 GHGA N#CC1=C(N)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C12CCCC2 1234806 FPAFCSJYTBJZEP-UHFFFAOYSA-N 384.892 3.849 50 50 GHGA aggregator COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccc(OC)cc1)[C@H]1CO1 169834200 YSHOJIYQOZIJJE-FGTMMUONSA-N 396.556 3.543 50 50 GHGA CCOc1ccccc1NC(=S)NNC(=O)c1cc2ccccc2cc1O 4999072 FARXYIHTZHMHCE-UHFFFAOYSA-N 381.457 3.576 50 50 GHGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5296789 KCFCFLMCKBBBLF-ZMOGYAJESA-N 382.423 3.798 50 50 GHGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 632349 RAYJVLGQSBDKCZ-IBGZPJMESA-N 382.460 3.840 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1C[C@@H](c1ccccc1)CC2=O 691070 VRYLDPPYHTVCMC-QRWLVFNGSA-N 390.512 3.719 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1 4677794 VTWNQCCZXFWLPR-CQBCOIIOSA-N 376.416 3.523 50 50 GHGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 2381358 VZEKJKKMCLRKRO-ZVBGSRNCSA-N 375.215 3.564 50 50 GHGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 4210578 XNZYEPKQJYEOAI-UPKKXIRLSA-N 386.407 3.775 50 50 GHGA Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 4989888 IWVLYLMPAHEHJT-MTJSOVHGSA-N 379.372 3.692 50 50 GHGA Cc1ccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 6211472 XADLSBGZOLDIFZ-UHFFFAOYSA-N 387.365 3.647 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 6655180 COYFUAHKIJZPFN-UHFFFAOYSA-N 378.501 3.647 50 50 GHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813538 VRYKJEQLXMNJBD-WSDLNYQXSA-N 393.447 3.550 50 50 GHGA O=C(CI)Nc1ccc(Cl)cc1C(=O)c1ccccc1 39238379 XNWANAKSHOXOIX-UHFFFAOYSA-N 399.615 3.945 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 753441 BMFGHVUFXIDAAS-HNNXBMFYSA-N 383.329 3.765 50 50 GHGA O=C(NNC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 2858670 NUAVFEXEOALMDH-UHFFFAOYSA-N 393.830 3.667 50 50 GHGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 2970653 IPFLTMIOSCSLAU-GLQBXYGBSA-N 391.265 3.780 50 50 GHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1coc2ccccc2c1=O 102295068 VVMMVWKYTHACOT-ZVHZXABRSA-N 399.491 3.500 50 50 GHGA CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1 17077167 ALVAEGXQAARURN-GFCCVEGCSA-N 377.391 3.708 50 50 GHGA CCOC(=O)/C(C#N)=C\c1c(C)c(C)c(/C=C(/C#N)C(=O)OCC)c(C)c1C 4947447 CJQHOCNWHBGJHI-XFQWXJFMSA-N 380.444 3.860 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1O 2783235 AYBBWGFJJAWMPN-YDZHTSKRSA-N 387.395 3.973 50 50 GHGA CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521814 AVDUXQSPIJQMLA-ZVBGSRNCSA-N 396.230 3.614 50 50 GHGA O=C(NNc1ccc(F)cc1Br)c1cccc(-n2ccnc2)c1 153837977 YDTJUBTZMUHRQK-UHFFFAOYSA-N 375.201 3.531 50 50 GHGA O=C(CCl)N(Cc1cccc2c1CCOC2)C[C@H]1CCOC2(CCC2)C1 1875374119 BFWADURLPVJGBL-INIZCTEOSA-N 377.912 3.676 50 50 GHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)c1 1187623 VFRAAWWKFKQKMU-LPYMAVHISA-N 394.452 3.805 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)cc1 5261419 MCCGAFFHVQVRQE-XQNSMLJCSA-N 380.492 3.710 50 50 GHGA COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 2697905 OUVYAEQFCQWWAG-FQEVSTJZSA-N 376.412 3.520 50 50 GHGA CC1(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)OCCO1 1182282 XOTPINNQNMHBGQ-SSDVNMTOSA-N 382.338 3.569 50 50 GHGA O=C(Cn1nnc2ccccc21)N/N=C/c1c2ccccc2cc2ccccc12 993899 RNQYZNANJIXKMX-ZVHZXABRSA-N 379.423 3.888 50 50 GHGA Cc1cccc(CC(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)c1 1875384287 NXOITUDOXLCGBU-NRFANRHFSA-N 394.902 3.903 50 50 GHGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCSSCCC(=O)O 1875388614 IGUJQFTWJMIZOB-VIFPVBQESA-N 398.333 3.733 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCC)c3)n[nH]2)cc1 9109733 JZTLDRVUROHZDR-HYARGMPZSA-N 378.432 3.638 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 1226279 HYTQFRVWKWSLPO-SRZZPIQSSA-N 376.243 3.884 50 50 GHGA CCOC(=O)C(C#N)=CNc1ncc(-c2ccc(Br)cc2)s1 2041576593 JDZXHISJDAVHQU-UHFFFAOYSA-N 378.251 3.955 50 50 GHGA O=C(N/N=C\c1ccc(COc2ccc(Br)cc2)o1)c1ccco1 13108671 SKEBCRTXTZFPTA-GRSHGNNSSA-N 389.205 3.978 50 50 GHGA Cc1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3cccs3)c2)cc1 32593050 BGGUREQAWFVFOD-XKZIYDEJSA-N 394.452 3.805 50 50 GHGA Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(F)cc3)cc1)C(C#N)=C(N)O2 1141956 UUWQRNRIISPSID-LJQANCHMSA-N 376.391 3.654 50 50 GHGA COc1ccc2[nH]c(/C(C#N)=C\c3cc([N+](=O)[O-])c(OC)cc3OC)nc2c1 5028266 LKVWUZBQEUDAPN-SDQBBNPISA-N 380.360 3.561 50 50 GHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccco1 2334764 LEVUKXJXYKHQGL-RQZCQDPDSA-N 390.515 3.666 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OC)[nH]n2)cc1 4953983 CTQQWZOQAOZJFX-HYARGMPZSA-N 378.432 3.638 50 50 GHGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 941951 BNHRKUGIBFFYHX-XTTRTJGBSA-N 382.203 3.819 50 50 GHGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 4366206 OOJOLPQYZXVBFX-DZUMZMOTSA-N 391.265 3.765 50 50 GHGA O=C(CCCC[C@H]1CCSS1)N[C@@H](Cc1nnc[nH]1)c1ccccc1 225578016 SOEACGJKNUBGRV-HOTGVXAUSA-N 376.551 3.919 50 50 GHGA CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 9109715 PZPAMVBJCAFSNP-ZDUSSCGKSA-N 378.881 3.755 50 50 GHGA COc1ccc(NC(=O)NNC(=O)C2CCC(C(C)(C)C)CC2)c(OC)c1 17077239 LXDZXHGOLZXOSM-UHFFFAOYSA-N 377.485 3.709 50 50 GHGA CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)NCCSSCCC(=O)O 1875388693 MGXVYMOGAGBWND-UHFFFAOYSA-N 387.571 3.522 50 50 GHGA N#C/C(=C\N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472569 SXSQGUAVWCBKPV-NJNXFGOHSA-N 399.454 3.678 50 50 GHGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(-c2ccc(O)cc2)nc2ccccc12 13322286 CERGUKCHDDBZRV-ZMOGYAJESA-N 399.406 3.783 50 50 GHGA CCOc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 17080360 BRRGZGCQGHRNOE-HNNXBMFYSA-N 393.443 3.859 50 50 GHGA O=C(N/N=C/c1ccccc1C(=O)O)c1cc(-c2ccc3ccccc3c2)n[nH]1 5072713 KCMROGLQBXEYHS-YDZHTSKRSA-N 384.395 3.692 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 2053071 MVJMAKNMDAILLL-YBFXNURJSA-N 380.316 3.527 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1OC 9008040 NWCRHCHMUBHHPO-UDWIEESQSA-N 384.461 3.618 50 50 GHGA Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccncc1 1775975646 JVEUNGPEDXMEPV-NRFANRHFSA-N 383.407 3.827 50 50 GHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 4180887 XTJLTBRFFQTRSL-GOSISDBHSA-N 392.440 3.961 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccccc2)cc1 36020526 MVYJYDQSPPDTQC-LPYMAVHISA-N 391.383 3.643 50 50 GHGA CCn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21 5095349 JUCITSRMUFYEPI-HXUWFJFHSA-N 399.454 3.902 50 50 GHGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 1202875 JLKQHFFNQVJYPW-LPYMAVHISA-N 394.452 3.805 50 50 GHGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 2673481 OCIGXCDQZLMLFO-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 4282453 OEIOBLXWSQBNTA-SSDVNMTOSA-N 380.835 3.594 50 50 GHGA CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4372692 QXCJFPYBRPVFAZ-HBBMIWKISA-N 385.420 3.691 50 50 GHGA O=C(CSc1ccc(/C=N/NC(=O)c2cccc(F)c2)o1)Nc1ccccc1 716767 WQNISHNWLYKBCJ-WSDLNYQXSA-N 397.431 3.913 50 50 GHGA CCn1c(-c2ccccc2)cs/c1=N/NC(=O)COc1ccccc1Cl 102318099 ZTJOFFQIKJUJCL-ZBJSNUHESA-N 387.892 3.901 50 50 GHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1 705977 YACYVROWPFICND-FQEVSTJZSA-N 376.412 3.520 50 50 GHGA Cc1cc(C(=O)NN=Cc2ccccc2O)c2cc(Br)ccc2n1 254349780 MTVVJOBPGQXHML-UHFFFAOYSA-N 384.233 3.775 50 50 GHGA COC(=O)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4210029 JGESBPGDVYIYOF-OEAKJJBVSA-N 375.428 3.645 50 50 GHGA O=C(C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 17376673 HVBTZDOCHOTHDH-NRFANRHFSA-N 378.364 3.727 50 50 GHGA COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 1233519 KGZQMVSXZDGAOS-VXLYETTFSA-N 393.306 3.841 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4287563 GEPPWNHWCHLRTB-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA CNC(=S)NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 6563548 YSEUWVHPDHGZJZ-UHFFFAOYSA-N 392.528 3.938 50 50 GHGA O=C(N/N=C/c1cccc(OC(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 102300657 JFRDOAMSPYHEMR-RREIPUBJSA-N 382.182 3.571 50 50 GHGA Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c1 1189705 UKCPZOUQYUFABP-UFWORHAWSA-N 397.656 3.646 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1 55429533 YNDJVWITPLYJEN-ZBKNUEDVSA-N 396.672 3.679 50 50 GHGA COc1ccccc1/C=N/NC(=O)CSCc1cccc(Br)c1 1233598 ATPZKGMGTHKPEN-VXLYETTFSA-N 393.306 3.841 50 50 GHGA Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 4210301 CERVGPKJZDAXPH-FOKLQQMPSA-N 394.500 3.513 50 50 GHGA CC[C@H](C(=O)N1CCC(CNC(=O)CCl)(c2ccccc2)CC1)C(C)C 1875384756 WKUQYZRZGYDXMQ-SFHVURJKSA-N 378.944 3.584 50 50 GHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 983832 ZCWRCVQZAVHIFI-VJBWXMMDSA-N 396.490 3.944 50 50 GHGA O=C(N/N=C/c1cn(Cc2cnc(Cl)s2)c2ccccc12)c1ccncc1 4050444 BAOGKJTUHZNFOZ-NUGSKGIGSA-N 395.875 3.958 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)nn2-c2ccccc2)cc1 1512615 DTXBKUHVNVPTPO-HZHRSRAPSA-N 376.460 3.942 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 4366450 SRXFJCFMYYYLKR-HYARGMPZSA-N 389.367 3.578 50 50 GHGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(F)cc2F)cc1 6788287 FHGPGCPFZYUHDB-UHFFFAOYSA-N 381.473 3.524 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 753442 BMFGHVUFXIDAAS-OAHLLOKOSA-N 383.329 3.765 50 50 GHGA Cc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 8580390 RUOBGDINBKJHFC-UHFFFAOYSA-N 399.259 3.841 50 50 GHGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 8817443 MIOXKNGZBOJNDS-LPYMAVHISA-N 385.383 3.902 50 50 GHGA Cn1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 17077132 YPJAJUWWUZHVCB-UHFFFAOYSA-N 377.231 3.952 50 50 GHGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 4282364 ZRGJFCYTNLCHKL-CVKSISIWSA-N 381.435 3.873 50 50 GHGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2)C(Cl)Cl)cc1 3109736 NTEJZZHZFKDZRR-HNNXBMFYSA-N 382.316 3.841 50 50 GHGA C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2ccc(O)cc2oc1=O 22205026 VLEVURHRKDBVLQ-FSJBWODESA-N 388.379 3.511 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)c(OC)c1 5402674 UAYHQUHLVFEVPW-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 9109716 PZPAMVBJCAFSNP-CYBMUJFWSA-N 378.881 3.755 50 50 GHGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 730065 WWFRNMFVPKPQLG-OEAKJJBVSA-N 376.460 3.688 50 50 GHGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 5353785 PGHKNQAVBVTYAI-FYJGNVAPSA-N 377.404 3.701 50 50 GHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 13321905 KWTVJSLWOFLMDD-ZVHZXABRSA-N 398.422 3.714 50 50 GHGA C[C@@]1(c2ccc(C(=O)NCCSSCCC(=O)O)cc2)CC1(F)F 1875388803 QTECTMBYOZBXGF-HNNXBMFYSA-N 375.462 3.569 50 50 GHGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 17078755 ZZOGDJLKPLHFKU-KPKJPENVSA-N 385.763 3.565 50 50 GHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 704660 VKXZTKALNWISOH-CAOOACKPSA-N 382.601 3.775 50 50 GHGA N#C/C(=C/N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)c1ccccc1 16739989 RRRNEXKFDZUUQY-PEZBUJJGSA-N 386.377 3.513 50 50 GHGA COc1nsc(CN(Cc2sc(C)nc2C)C(=O)CCl)c1Cl 1875374723 YWCOCPSNGDVSKH-UHFFFAOYSA-N 380.322 3.646 50 50 GHGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 830351 RUSNPBOTUYCFDN-LJQANCHMSA-N 382.460 3.935 50 50 GHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]2C1 706158 YSBSLQRCXADTIO-WBVHZDCISA-N 398.297 3.739 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1 1209296 KHKRHXHJVIPTAQ-XUANBZSPSA-N 390.487 3.999 50 50 GHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn(Cc2ccc(Cl)cc2)n1 1210850 IULPPQSYKKVLLU-FSJBWODESA-N 377.835 3.830 50 50 GHGA N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(F)cc1 5051935 MSDIMGNHVXMUAI-WZUFQYTHSA-N 389.180 3.863 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccncc2)nc2ccccc12 655286 VLWQETWWVVCGCX-WSDLNYQXSA-N 387.355 3.562 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(F)cc3)c2)cc1 2542755 DQLDEQFXWRRUND-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1nn(-c2ccccc2)c(N)c1C#N 4482170 SAJHMMHAQSJKNU-AWNIVKPZSA-N 389.802 3.772 50 50 GHGA CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 2807399 PCTIMUPDNHHOQY-CQSZACIVSA-N 379.279 3.888 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)c1O 730038 YAANXFGZAAJQBK-LPYMAVHISA-N 394.500 3.733 50 50 GHGA C/C(=N/NC(=O)c1cncc(Br)c1)c1cccc(Br)c1 12342886 VLUPGBBDLVBLAN-NVMNQCDNSA-N 397.070 3.761 50 50 GHGA COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1 12447001 ZVYIJEZJTUTKEM-CYBMUJFWSA-N 391.265 3.684 50 50 GHGA CC(=O)O[C@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 169834921 MFXNBURURWOKBZ-SIKLNZKXSA-N 398.575 3.631 50 50 GHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 2520009 GIYUWEBKAFZNIS-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 5297126 MNZCONYLEOTCJC-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA C/C(=N\NC(=O)c1ccoc1C)c1cccc(NS(=O)(=O)c2ccccc2)c1 651703 CJUBRPYZUVSZHG-KGENOOAVSA-N 397.456 3.543 50 50 GHGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Br)cc2)n[nH]1 9015236 IWQZEIQKDNHDGG-RQZCQDPDSA-N 375.251 3.665 50 50 GHGA C[C@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1 2572272 GKSPIZSKQWTXQG-LBPRGKRZSA-N 388.470 3.804 50 50 GHGA in-vitro C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(Br)c1 752683 PRUNJFZRTLACML-VXJOIVPMSA-N 377.213 3.649 50 50 GHGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 13281420 VCJNEFCVEGFBHH-NRFANRHFSA-N 379.423 3.947 50 50 GHGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 830350 RUSNPBOTUYCFDN-IBGZPJMESA-N 382.460 3.935 50 50 GHGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3424874 GEODUPVUTQDVIO-HYARGMPZSA-N 375.384 3.938 50 50 GHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2566444 QFCVNTVCQFPFMU-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA COc1ccc(/C(C#N)=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC 4052557 AXZKKXKKSOWBKG-GZTJUZNOSA-N 395.415 3.513 50 50 GHGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)/C(=N/NC(N)=O)CC[C@H]32)C1 253499044 CDZFBBLHHNZLCF-RIXKYFSBSA-N 387.524 3.905 50 50 GHGA biogenic COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1 4282833 MJUTUCMJMZIXHX-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5667567 LVFZOURKJKJCET-FYJGNVAPSA-N 390.355 3.934 50 50 GHGA COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccco3)c(-n3cccc3)c12 4623959 GAHIGYJTLNZWDJ-SRZZPIQSSA-N 394.456 3.899 50 50 GHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccco1 1193088 GDZNGVJTVIEIDQ-LPYMAVHISA-N 390.468 3.920 50 50 GHGA CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\NC(C)(C)Cc3ccccc32)cc1 19205298 GZNBKIUMIZHMEY-VXPUYCOJSA-N 389.455 3.661 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl 4282378 UIQMGOLOUSYDQS-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)c1 1775976917 RGHNIHVWDXCOMW-OAQYLSRUSA-N 383.407 3.827 50 50 GHGA COc1cccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 1498152 FFQUWTZFZMLTHE-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA O=C(CCl)NCC1(NC(=O)CC[C@H]2CCc3ccccc32)CCCCC1 1875383752 DNFDNSXLFCENSE-QGZVFWFLSA-N 376.928 3.671 50 50 GHGA CC/C(=N\NC(=O)CSc1nc2ccccc2n1CC)c1ccc(O)cc1 12401993 SGQQILWWTWGAGP-CJLVFECKSA-N 382.489 3.784 50 50 GHGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc1 4360558 WEKPRHPXTWELPC-YDZHTSKRSA-N 376.412 3.749 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)ccc1O 668435 ZWDPVPPUSKKQOP-SRRANQMSSA-N 376.840 3.670 50 50 GHGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Br 32573674 MVTMDYCBZNFDHP-ZROIWOOFSA-N 378.247 3.796 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccc(F)cc1 9331373 OSWWQGLCPRWGFI-INIZCTEOSA-N 381.432 3.536 50 50 GHGA CCN(CC)Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC 2789303 KQIRDVREJXVETI-LPYMAVHISA-N 398.463 3.518 50 50 GHGA COc1ccc(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)cc1 17078625 BOXOABMTDPEIIY-JZJYNLBNSA-N 384.860 3.536 50 50 GHGA COc1ccc(Cl)cc1C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 17077493 WYGPZZSPFJMUOU-RREIPUBJSA-N 378.684 3.808 50 50 GHGA O=C(CCl)N[C@@H]1CN(C(=O)CC2=CCCCC2)CC[C@H]1c1ccc(F)cc1 1875383203 LBBXHZFFUNSHAV-RBUKOAKNSA-N 392.902 3.756 50 50 GHGA Cc1cc(OCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 32666326 ZKTNIOCZUGIZSS-UWVJOHFNSA-N 382.203 3.739 50 50 GHGA CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2cccc(CCl)c2)cc1 253424919 MKULBZZWXVZIEC-UHFFFAOYSA-N 384.910 4.000 50 50 GHGA CCOC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95682176 UPVYKRNVOTZLIY-UHFFFAOYSA-N 391.427 3.503 50 50 GHGA O=C(COc1cc(Cl)ccc1Cl)NNC(=O)Nc1ccc(Cl)cc1 669094 JXDLYYNDLJOEMH-UHFFFAOYSA-N 388.638 3.879 50 50 GHGA COc1ccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1OC 1205850 RUOHSKPQCMOBDZ-SSDVNMTOSA-N 383.835 3.978 50 50 GHGA Brc1cnc(SSc2ncc(Br)cn2)nc1 2506175 WUVREEPPMGSVOP-UHFFFAOYSA-N 380.090 3.591 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OC 5125779 VOXJKFXEOLPDMN-WSDLNYQXSA-N 398.850 3.901 50 50 GHGA O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1CC1(c1ccccc1)c1ccccc1 2771255 AUJDAFPYGRENTR-RASHHNMQSA-N 384.435 3.872 50 50 GHGA C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 2502654 RUYMLYJXBMNGQC-SFHVURJKSA-N 384.819 3.837 50 50 GHGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc(F)cc1F 2850927 CNFKCFNLMDKGLH-UHFFFAOYSA-N 397.381 3.864 50 50 GHGA CC(C)(C)[Si](C)(C)OCC1CCC(OC(=O)CCN2C(=O)CCC2=O)CC1 328596742 XJOKURAYRPIOMB-UHFFFAOYSA-N 397.588 3.649 50 50 GHGA COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 22590552 HGBZSOOINIZSHE-XBIXJXDHSA-N 398.462 3.930 50 50 GHGA COc1ccccc1OCC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 1206670 MTAUCZQEFCRWFA-SSDVNMTOSA-N 383.835 3.734 50 50 GHGA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN)cc1 1943982 BXVOLSBVLSRLHE-HNNXBMFYSA-N 383.492 3.943 50 50 GHGA Cc1cccc(Cl)c1NNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 838525069 GEHIDIQGLZNUTA-OAHLLOKOSA-N 387.915 3.895 50 50 GHGA O=C(CCl)N(Cc1cc(C(F)F)on1)CC1([C@H]2CCCCO2)CCC1 1875383964 HVPCASWQXGVPEU-CQSZACIVSA-N 376.831 3.919 50 50 GHGA C=CCNC(=S)NNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 2854038 YQHWBXHABMDYSK-UHFFFAOYSA-N 392.528 3.601 50 50 GHGA CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c1 2971000 XUJXZKGZIYZWJK-WSDLNYQXSA-N 375.856 3.671 50 50 GHGA O=C1[C@@H](Br)[C@H]2CC(CBr)C[C@@H](C2)[C@@H]1Br 217733237 NIGHUSUWVGGZII-JBDRJPRFSA-N 388.925 3.524 50 50 GHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 5129910 WNIFVDTWEVLUMK-OAHLLOKOSA-N 393.790 3.856 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O 1080042 ZRWFIYJVIZZPQP-HNNXBMFYSA-N 377.275 3.570 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)nn2-c2ccccc2)cc1O 5284277 KQLCXGCFERTAJU-OEAKJJBVSA-N 392.459 3.648 50 50 GHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc[n+](Cc2ccccc2)cc1 1500493 VHWLJEBJRQDLOB-UHFFFAOYSA-O 382.443 3.645 50 50 GHGA N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2ccc(Br)cc2)S1 13583897 JVYOQOVUZGTKNV-VBKFSLOCSA-N 389.230 3.527 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)n(-c3ccccc3)n2)cc1 5514009 VNJRJVUIPGWOQG-HZHRSRAPSA-N 386.411 3.905 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 1771954 SQOLKYRLPASAFP-HZHRSRAPSA-N 375.476 3.995 50 50 GHGA Cc1cc(CCCC(=O)N2CC[C@@H](C)[C@@H](CNC(=O)CCl)C2)c(C)s1 1875384526 RZPKMAQEZOIXCH-DYVFJYSZSA-N 384.973 3.527 50 50 GHGA Clc1ccc([C@]2(Cn3cncn3)C[C@H](Br)CO2)c(Cl)c1 3872654 HJJVPARKXDDIQD-TVQRCGJNSA-N 377.069 3.664 50 50 GHGA biogenic,in-vitro C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)[C@@H]2Br 145282910 FYVXSJHUBPYLLD-WPYKOPORSA-N 388.925 3.525 50 50 GHGA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17081004 KTYWQTOLUOFZDX-ZWKOTPCHSA-N 396.447 3.849 50 50 GHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1 6663972 YCRFNLQBAAIYDC-HXUWFJFHSA-N 388.427 3.524 50 50 GHGA Cc1ccc(C)c(N2C(=O)CS/C2=C(/C#N)S(=O)(=O)c2ccccc2)c1 18090258 GZEMUCPZTHYTJE-ZPHPHTNESA-N 384.482 3.550 50 50 GHGA O=C(CBr)c1cc(I)cc(C(F)(F)F)c1 238568383 JSLOXLJXBDELNI-UHFFFAOYSA-N 392.940 3.888 50 50 GHGA C=C[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)O1 169836453 RERIHZMQVXPABK-BVYCBKJFSA-N 382.576 3.879 50 50 GHGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1C(F)(F)F 4282376 LRHAKRJLFHATGU-RPPGKUMJSA-N 399.372 3.739 50 50 GHGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2 254526672 CJTOGRDQXBTJAF-IUAPLRCTSA-N 391.265 3.780 50 50 GHGA O=C(N/N=C\c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1 32573635 YMXPRQQHKZCVOY-QRVIBDJDSA-N 376.412 3.817 50 50 GHGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C1\C(=O)Nc2ccccc21 5857964 FAHKZZQOTYYEHK-UHFFFAOYSA-N 382.423 3.657 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2)cc1 4229986 BLKBDRBFJBJKQK-FYJGNVAPSA-N 380.425 3.740 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690754 NSDNWJXIHBOPHZ-GCJKJVERSA-N 384.483 3.657 50 50 GHGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccccc1C(F)(F)F 2856152 JQQMBPMSCRUJHY-UHFFFAOYSA-N 399.463 3.956 50 50 GHGA O=C(O)CCSSCCNC(=O)c1cccc(C2CC(F)(F)C2)c1 1875388725 NUEJRVQWBXQWBV-UHFFFAOYSA-N 375.462 3.785 50 50 GHGA Cc1ccc(OCc2ccc(C(=O)N/N=C/c3cn(C)nc3C)cc2)cc1C 655027 NIHIRGGDXBKXPR-FSJBWODESA-N 376.460 3.688 50 50 GHGA COc1ccc(C(=O)N(c2ccccc2)N(C(C)=O)C(=O)c2ccccc2)cc1 3130480 PNVQDIFENILMJZ-UHFFFAOYSA-N 388.423 3.946 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)cc1OC 6813093 AJYCUXOHZBMWLU-HYARGMPZSA-N 378.432 3.556 50 50 GHGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cnc2ccccc2n1 4470915 JTVAEZRGXYDHSC-WMJRALALSA-N 389.242 3.854 50 50 GHGA COc1cc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 1469468 RWDODPKSDDBAHH-BUVRLJJBSA-N 391.471 3.775 50 50 GHGA Cn1cc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)c2ccccc21 2858001 DKABGXWDGWKSMN-UHFFFAOYSA-N 392.406 3.829 50 50 GHGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccc(F)c(Cl)c1 6828604 ACICCFJNWKSATJ-UHFFFAOYSA-N 390.242 3.832 50 50 GHGA COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1O 1191885 PLPSCJSMJZMRSU-DJKKODMXSA-N 397.656 3.510 50 50 GHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 3008955 DXUZBMOFMVPOFW-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA CCCCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 5309444 ZFUCVYBLSYMQHA-HYARGMPZSA-N 386.448 3.655 50 50 GHGA Cc1nc(-c2ccccc2)c(C(=O)NCCSSCCC(=O)O)s1 1875388619 IPFPBXYHZZDAET-UHFFFAOYSA-N 382.532 3.704 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1F)c1cc(-c2ccccc2)n[nH]1 5635459 BNZKIJPTLNXRTL-KEBDBYFISA-N 387.212 3.742 50 50 GHGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229158 RWJGQPWRWLJOTJ-BGHCKBSUSA-N 385.423 3.599 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2ccccc2)nnc1-c1ccccc1 863974 VBIPBVBWEDYOGS-RCCKNPSSSA-N 379.489 3.598 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 1176209 KXTNVIDEZYPXDD-SGTLLEGYSA-N 393.424 3.865 50 50 GHGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)s1 6636462 RJDWBXFWQNBRIK-NTUHNPAUSA-N 398.440 3.762 50 50 GHGA N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(F)cc1 1189220 UQZWPCHGXOXHMH-VQHVLOKHSA-N 382.132 3.569 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1ccccc1 864020 BVGKGPXLEPQXNF-FYJGNVAPSA-N 379.489 3.516 50 50 GHGA BrCc1cc(Br)ccc1I 49946755 AHETZDTVQBIWSL-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 2141473 KGIVRCQYRQYIGK-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1O 4360336 NVBYHUHINBUEQQ-FVQJWRHTSA-N 378.428 3.862 50 50 GHGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2)C(Cl)Cl)cc1 3109735 NTEJZZHZFKDZRR-OAHLLOKOSA-N 382.316 3.841 50 50 GHGA C[C@@]1(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(Cl)Cl 2090158 IGLPSQDFGBZQDR-UZSVJVCZSA-N 382.203 3.889 50 50 GHGA O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 921164936 BMBIKZHGTPMMMM-UHFFFAOYSA-N 393.255 3.587 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C1CCCCC1 1875384193 LVMLKKRRDINVNY-OXQOHEQNSA-N 390.955 3.602 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)c1 5318938 LAQXRXXYSJFOJB-HYARGMPZSA-N 378.432 3.638 50 50 GHGA Cn1ccnc1SCc1csc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 1432552 DISBRMLREWAWDZ-MRXNPFEDSA-N 398.513 3.589 50 50 GHGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 5402847 ZMWFFZDJKKRJJM-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)ccc1O 54290560 CMZCRTBYECFLAZ-DJKKODMXSA-N 390.852 3.660 50 50 GHGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)cc1 4698293 OMCFCMGUROXXCM-MRXNPFEDSA-N 382.441 3.626 50 50 GHGA O=C(COc1cccc2ccccc12)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5060482 IBCLAPFLVASNNH-UHFFFAOYSA-N 393.487 3.518 50 50 GHGA C/C(=N\NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 12362562 SOIWECORAGCPEY-FYJGNVAPSA-N 397.822 3.647 50 50 GHGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 17147757 PCYUPNKVEMVTDR-FYJGNVAPSA-N 377.404 3.701 50 50 GHGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282630 UCHCSPNJTIJUKE-BUVRLJJBSA-N 376.387 3.738 50 50 GHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1I 245226595 GAZDXELBWDNRMI-BYKSNKSBSA-N 382.245 3.568 50 50 GHGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 3097461 CKNJPSKLOKCLPR-HYARGMPZSA-N 375.384 3.938 50 50 GHGA Cc1ccccc1-c1noc(CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)n1 113730896 OBSARTNZGMSWRH-UHFFFAOYSA-N 399.454 3.868 50 50 GHGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)OC 4453655 XJBUGBUKGSELJO-XNTDXEJSSA-N 377.400 3.578 50 50 GHGA CCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 100732006 GZRFNNNSJIEDPG-YDZHTSKRSA-N 397.862 3.925 50 50 GHGA N#C/C(=C/c1ccoc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 6927976 NRQHTWVZPZWGHS-ZROIWOOFSA-N 375.409 3.639 50 50 GHGA Cc1c(C(=O)NNc2nc3ccccc3c(=O)n2C)oc2c1ccc1ccccc12 154239185 DFTKDWNXPKKBGE-UHFFFAOYSA-N 398.422 3.898 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 1875383969 HXXAYBCPOHKGKY-FOIQADDNSA-N 384.907 3.524 50 50 GHGA O=C(COc1ccc(Cl)cc1)NNC(=O)C(c1ccccc1)c1ccccc1 1230071 JNXOMAQBWWCTIW-UHFFFAOYSA-N 394.858 3.698 50 50 GHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 239203159 RVJPGVKAOILTNG-LAQFHYBYSA-N 385.291 3.736 50 50 GHGA C[C@@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1 111445399 GKSPIZSKQWTXQG-GFCCVEGCSA-N 388.470 3.804 50 50 GHGA in-vitro CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1C[C@H](c1ccccc1)CC2=O 690752 NSDNWJXIHBOPHZ-PGRDOPGGSA-N 384.483 3.657 50 50 GHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 4957806 ZCWRCVQZAVHIFI-ZLNRFVROSA-N 396.490 3.944 50 50 GHGA O=C(O)CCSSCCNC(=O)CCc1ccc(F)c2c1CCCC2 1875388710 NAOWMYIOPSRVHT-UHFFFAOYSA-N 385.526 3.609 50 50 GHGA COc1ccccc1NC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccccc1 19720715 IRYVHNYJHXSEPM-IBGZPJMESA-N 377.469 3.960 50 50 GHGA C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)cc1 4698294 OMCFCMGUROXXCM-INIZCTEOSA-N 382.441 3.626 50 50 GHGA CCOc1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 17080359 BRRGZGCQGHRNOE-OAHLLOKOSA-N 393.443 3.859 50 50 GHGA O=C(CCl)N(Cc1cc(C(F)F)on1)CC1([C@@H]2CCCCO2)CCC1 1875383963 HVPCASWQXGVPEU-AWEZNQCLSA-N 376.831 3.919 50 50 GHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 1205081 BHLKODBRVJQAAQ-SRZZPIQSSA-N 384.823 3.598 50 50 GHGA O=C(CCCC[C@@H]1CCSS1)N[C@@H](Cc1nnc[nH]1)c1ccccc1 225578068 SOEACGJKNUBGRV-CVEARBPZSA-N 376.551 3.919 50 50 GHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1230065 GPQNPXRNDIAKGC-UHFFFAOYSA-N 375.812 3.621 50 50 GHGA O=C(N/N=C/c1cccs1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2941375 JSMJMHYHKRLCQP-BHYNAFRYSA-N 381.482 3.731 50 50 GHGA COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1C 685925 FWAWHYBMOFEEMY-YDZHTSKRSA-N 384.476 3.839 50 50 GHGA C/C(=N/NC(=O)Cc1ccccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 17081378 VKPWKKUTXZYDOD-MYKKPKGFSA-N 397.784 3.924 50 50 GHGA O=C(NNC(=S)Nc1ccccc1)c1cc(Br)ccc1Cl 7095544 OKOKOFVPDVBOKG-UHFFFAOYSA-N 384.686 3.734 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1O 1190088 ZNFSRHPFSAVWJS-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA CCCc1[nH]nc2c1[C@H](c1cncc(-c3ccc(F)cc3)c1)C(C#N)=C(N)O2 5130142 VKBNMHICUUGVTF-GOSISDBHSA-N 375.407 3.781 50 50 GHGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccco2)n[nH]1 15722975 PCXZMSLUXJTINS-FKDPSPLQSA-N 385.221 3.821 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)s1 867951 CMUUATFRNSMKGD-GIJQJNRQSA-N 389.278 3.973 50 50 GHGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5126128 YEVXFZFBEMQLLM-YDZHTSKRSA-N 384.395 3.692 50 50 GHGA O=C(O)CCSSCCNC(=O)C1(c2ccc(Cl)c(F)c2)CCC1 1875388802 QSETVBJLMGXLIR-UHFFFAOYSA-N 391.917 3.873 50 50 GHGA CC(C)(C)[Si](Oc1cc(CO)cc(CO)c1)(c1ccccc1)c1ccccc1 197900670 TUGCKICZDBMMPM-UHFFFAOYSA-N 392.571 3.610 50 50 GHGA in-vitro COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3170571 IVKQXQIKHWOSJF-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1 1227927 VVSAXPQZSYGEFL-HNNXBMFYSA-N 395.212 3.774 50 50 GHGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4229865 KQKULNIRSVIRDA-OVMKCGGTSA-N 398.806 3.714 50 50 GHGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2cccc(Cl)c2)c(C)c1 2551986 CDBQRLATYQKWAH-UHFFFAOYSA-N 388.855 3.528 50 50 GHGA CN(/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)C(=O)OCc1ccccc1 1875321893 AETTXONBQWSKKG-WSDLNYQXSA-N 394.383 3.953 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 1013739 QYBVVCNGJLGRRZ-CAOOACKPSA-N 382.601 3.775 50 50 GHGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N1CCOCC1 848402 WQMYRDOJKICLOE-SDNWHVSQSA-N 376.334 3.731 50 50 GHGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 5815879 GRBCPQSYOXCJTK-MBSDFSHPSA-N 398.510 3.966 50 50 GHGA C[C@@H](Cl)C(=O)N(C)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 1875364206 ISGOXQFRBPQQSK-SNVBAGLBSA-N 398.688 3.615 50 50 GHGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)c1 1212775 OHQJJRQVIGBTFH-LPYMAVHISA-N 394.452 3.805 50 50 GHGA Cc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 690779 AXHHXZKNQQQCHK-XXBNENTESA-N 398.510 3.966 50 50 GHGA CCO[Si](OCC)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F 169807620 FNHRVMWUGNXEKZ-UHFFFAOYSA-N 380.332 3.517 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c[nH]c2ccc(Br)cc12 623063 AITRFAZQHVRXMC-MRXNPFEDSA-N 384.233 3.745 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1 3168972 QFJHNPGBHMUSQZ-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 4210437 XQBCJGDGFWJHDF-OEAKJJBVSA-N 377.444 3.875 50 50 GHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1[C@H]2CCCC[C@H]12 100381656 RVJPGVKAOILTNG-STQMWFEESA-N 385.291 3.736 50 50 GHGA N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6829109 KVSIDUCADARAQE-VQHVLOKHSA-N 378.207 3.964 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Br)s2)C(C#N)=C(N)O1 752540 AWQZSPPKBGMWRF-CYBMUJFWSA-N 397.294 3.936 50 50 GHGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 1453491 VIZMVPDBFYKWFG-XTTRTJGBSA-N 397.656 3.726 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3)[nH]n2)cc1 4953990 WGSOSKVZAROJBT-HYARGMPZSA-N 378.432 3.638 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 4261139 BZAZAKPWNOBFOQ-LFVJCYFKSA-N 388.423 3.607 50 50 GHGA C[C@@H](C[C@@H]1C=CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169834776 TUKPQLHVPFNQAV-OALUTQOASA-N 380.560 3.823 50 50 GHGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2cc(Cl)ccc2Cl)cc1 1001935 ZVGFBBPWIZDLKG-SSDVNMTOSA-N 394.258 3.871 50 50 GHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1Br 844735 KIOFJPKLBALTHE-GIJQJNRQSA-N 389.278 3.568 50 50 GHGA CO[C@H](/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H]1CCOC1 1875266160 DLAAJJDVIIIQKD-AZGVEYCGSA-N 395.484 3.730 50 50 GHGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 4796072 OWVZSKLIMYNHDV-UHFFFAOYSA-N 385.258 3.670 50 50 GHGA COc1ccccc1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6786952 CZIFMEQAAGEBCC-YDZHTSKRSA-N 378.476 3.650 50 50 GHGA Cc1c(NC(=O)/C(C#N)=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 731960 GWEOVWPJOREYBL-FOWTUZBSSA-N 392.846 3.684 50 50 GHGA CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1O 2565245 YNSHNXHHPBCGHX-BUVRLJJBSA-N 390.439 3.987 50 50 GHGA Cc1c(Cl)cccc1NC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)cc1F 2851414 CQJGVFQMFAQEJD-SNVBAGLBSA-N 399.850 3.712 50 50 GHGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 4366204 OOJOLPQYZXVBFX-HMHKGCENSA-N 391.265 3.765 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)C[C@H]2CCc3ccccc3C2)cc1 1875383980 IHFAUYJFOUZZOC-WMZOPIPTSA-N 398.934 3.914 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 1427322 XWNUBHNOHCHNLQ-HNNXBMFYSA-N 381.794 3.549 50 50 GHGA Cc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1440717 KKJKDEMIJZZSJK-AUSIDOKSSA-N 398.510 3.966 50 50 GHGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 3059594 GHLOYSSODXEPDM-SSDVNMTOSA-N 381.819 3.596 50 50 GHGA CN(c1cccc(O)c1)S(=O)(=O)c1ccc(NC(=O)CCCCCl)cc1 864097343 PFQVIWXNYXLQTC-UHFFFAOYSA-N 396.896 3.565 50 50 GHGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccccc1 1037099 VFORUARCDXMTQI-JTQLQIEISA-N 384.288 3.779 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nc2ccccc21 946789 PNNHXQKRSHMBMN-HYARGMPZSA-N 382.489 3.697 50 50 GHGA Cc1ccc(NC(=S)NNC(=O)COc2cccc(Cl)c2Cl)cc1 2585726 KYRXSEBRSXKUSW-UHFFFAOYSA-N 384.288 3.698 50 50 GHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1cccc2ccccc12 5479981 OAOGWYMPOFLIFY-LFVJCYFKSA-N 375.428 3.740 50 50 GHGA Cc1cc(C)c(CC(=O)N2CCC[C@H](C)[C@@H]2CCCNC(=O)CCl)s1 1875384517 RLZSQORVRNCCEJ-BBRMVZONSA-N 384.973 3.670 50 50 GHGA Cc1c(Br)c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nn1C 667712 ORZBYRXKOJHXHF-UBKPWBPPSA-N 390.068 3.562 50 50 GHGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccncc1 2391478 HGCVTMHKMFZHFE-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1 1960070 GALRQHWVNVWCBV-UDWIEESQSA-N 388.265 3.627 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc2ccccc2c1 100406068 IXFHVLRSLDDGAP-LJQANCHMSA-N 378.387 3.981 50 50 GHGA Cc1c(Br)[nH]c(C=C(C#N)C#N)c1CCOC(=O)c1ccccc1 636359 UHJAXYOSXHKRRC-UHFFFAOYSA-N 384.233 3.916 50 50 GHGA O=C(O)CCSSCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1875388749 OZENOOURLTZKNJ-QWHCGFSZSA-N 393.452 3.781 50 50 GHGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)ccc1O 4675012 MYMIZBCEONVVJM-RGVLZGJSSA-N 387.486 3.643 50 50 GHGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1 4326730 BQHRJSFADYCQOH-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)c1 2543099 OZAINIYWDHZPFF-BUVRLJJBSA-N 388.423 3.743 50 50 GHGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 13635951 KEDUWTQVVWTCOQ-CIAFOILYSA-N 377.404 3.872 50 50 GHGA O=C1[C@@H](Br)[C@H]2C[C@H](CBr)C[C@@H](C2)[C@H]1Br 245226272 NIGHUSUWVGGZII-VCQFTWBDSA-N 388.925 3.524 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccccc1 863952 DEENLNHRYSCHFK-CIAFOILYSA-N 399.907 3.861 50 50 GHGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc([N+](=O)[O-])cc2)cc1 2732082 DHGLIVLRRFQLLR-IBGZPJMESA-N 387.399 3.616 50 50 GHGA CCOP(=O)(OCC)[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 3157766 NVXFVWXCRQGWNX-SSDOTTSWSA-N 395.434 3.869 50 50 GHGA N#C/C(=C\c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 17080337 WNWKFJAWCXQFJE-GXDHUFHOSA-N 393.355 3.583 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc2ccccc2n1 2754212 BYNPYEUCFDGWNI-OEAKJJBVSA-N 385.379 3.811 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 5297184 NKMRBHNAVJCAPX-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 5815877 GRBCPQSYOXCJTK-WZONZLPQSA-N 398.510 3.966 50 50 GHGA CC(C)(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OC[C@H]2CO2)cc1 6693091 HLLOKZYCSSQYEB-PXNSSMCTSA-N 376.880 3.769 50 50 GHGA biogenic,in-vitro COc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 15952163 ACYAXCKXKDNOJY-UHFFFAOYSA-N 391.427 3.837 50 50 GHGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1 4231954 BRKKIWIJOQXFHV-PXLXIMEGSA-N 393.468 3.560 50 50 GHGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2csc3ccccc23)cc1 2852303 HRTROLQYXHXYMX-UHFFFAOYSA-N 399.497 3.709 50 50 GHGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1O 4366017 JDUSESLWXNLGSH-DTVDJLOLSA-N 390.439 3.985 50 50 GHGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 17078662 FOKBYHMTCWRYSB-UKTHLTGXSA-N 385.401 3.767 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1O 9331787 BJPWSYXQAPPZKT-WSDLNYQXSA-N 380.835 3.928 50 50 GHGA CCOc1cc(CNC(=O)[C@@H](Br)CC)cc(OCC)c1OCC 32919998 YNOBVHLHIGPAIA-ZDUSSCGKSA-N 388.302 3.672 50 50 GHGA O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc(F)cc1 5649951 HLAFQCZVAQPKLB-NJNXFGOHSA-N 387.414 3.549 50 50 GHGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)[C@@H]2CC=Cc3ccccc32)CC1 1875384461 QATLLAKYBDFYMH-LJQANCHMSA-N 388.939 3.807 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1 4372700 UWHGNTHQYBHLRR-UDWIEESQSA-N 389.249 3.543 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 752534 OTRJNIHEVIHBKY-BTYIYWSLSA-N 386.407 3.624 50 50 GHGA Cc1cc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2F)cc(C)c1Cl 1117533 KNSWIKBFSBLVPB-LLVKDONJSA-N 397.809 3.855 50 50 GHGA O=C(Nc1ccc(C(=O)N/N=C\c2ccccn2)cc1)Nc1ccccc1F 34859478 JIHBMFJXJFBCMM-QRVIBDJDSA-N 377.379 3.629 50 50 GHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)ccc1O 5053577 UDAIZYAOFMIMTP-YDZHTSKRSA-N 392.459 3.753 50 50 GHGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1cccc([N+](=O)[O-])c1 1469472 OOCNGMULJQGFJD-HZHRSRAPSA-N 390.443 3.969 50 50 GHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)c(OCC)c1 5130488 AFCNGUHMXOZANW-QGZVFWFLSA-N 392.415 3.685 50 50 GHGA CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 35339317 SAPPSSNJVPSAMW-NTEUORMPSA-N 397.387 3.643 50 50 GHGA O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 170626276 DPYKKVANQQPQPG-OLZOCXBDSA-N 390.777 3.915 50 50 GHGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 2585193 GRBCPQSYOXCJTK-JPYJTQIMSA-N 398.510 3.966 50 50 GHGA CCCn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 102264872 BUPRMTMJJAQDCY-WSDLNYQXSA-N 383.835 3.534 50 50 GHGA Cc1nn(C)cc1/C=N/NC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 6413270 QCZGZUKSJKGARI-ZSVBHWRJSA-N 392.507 3.665 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12 8828888 ORGUXMMZOFNOMU-UHFFFAOYSA-N 378.501 3.647 50 50 GHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372809 KRHKEONTBPFSOM-QKIXXSFTSA-N 376.412 3.682 50 50 GHGA COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccco1 722077 UBOUBSQCDSTDDP-SFHVURJKSA-N 381.457 3.986 50 50 GHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c(Cl)cccc1Cl 4210513 BJRIRQGIOCTHSX-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(Oc1ccccc1)Oc1ccccc1 1215733 JJOXIQMCZSAHTB-PXLXIMEGSA-N 391.383 3.529 50 50 GHGA O=C(CCl)NC[C@H]1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)CC1 1875383061 FEDZZSPEWXHHDS-SZMVWBNQSA-N 376.928 3.527 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 100406082 CDQPVDQSEWSIGS-OAHLLOKOSA-N 396.324 3.846 50 50 GHGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1O 57478234 AWEKONMSYNFKSU-SRZZPIQSSA-N 384.823 3.598 50 50 GHGA C[C@@H]1CCCC[C@H]1OCCN(Cc1nn(C)c2ccccc12)C(=O)CCl 1875384943 YWGYKWPOMSVVPB-DNVCBOLYSA-N 377.916 3.736 50 50 GHGA COc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1 12446999 ZVYIJEZJTUTKEM-ZDUSSCGKSA-N 391.265 3.684 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc2ccccc2c1 1427329 NWNYDGQWPZYRMD-FQEVSTJZSA-N 379.419 3.910 50 50 GHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(OC)cc3)c2C)cc1 5296192 MOIUUHGCIPOOEE-LPYMAVHISA-N 378.432 3.556 50 50 GHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)c1O 8463078 IZANNFLXEWSGDT-DJKKODMXSA-N 390.852 3.660 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2ccc3c(c2)CCCC3)CCCCCC1 1875383869 GDRBJVZNPCMYOH-UHFFFAOYSA-N 376.928 3.743 50 50 GHGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4209851 VDHSEBPKVWPNIY-LSHDLFTRSA-N 385.876 3.743 50 50 GHGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4292608 RRMKCFNAGHEFLM-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA BrCc1cc(Br)cc(I)c1 95917619 ROOHCQCOVGIUBX-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA in-vitro O=C(Nc1c(Cl)cc(NC(=O)[C@H](F)Cl)cc1Cl)c1cnccn1 2325898235 XUUUEGSKWIHIEE-NSHDSACASA-N 377.590 3.509 50 50 GHGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 1187813 ADJDFANAYIOIJU-LPYMAVHISA-N 394.452 3.805 50 50 GHGA O=C(N/N=C/c1ccc(I)cc1)c1cccc(Cl)c1 1230042 MNBMLYGACXKDQQ-RQZCQDPDSA-N 384.604 3.709 50 50 GHGA C[C@H]1CCc2sc(C(=O)NC3(CNC(=O)CCl)CCCCC3)cc2C1 1875383968 HWSIWBWXTKESKW-ZDUSSCGKSA-N 382.957 3.661 50 50 GHGA Cc1cccc(-n2c(C)cc(C(=O)NCCSSCCC(=O)O)c2C)c1 1875388857 SQOUUMIURSVWNK-UHFFFAOYSA-N 392.546 3.988 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Cl)c1 2553746 CDYHMCKZIVWPTL-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(OC)c1 5297248 UIKAKORJHUFTQN-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA Cc1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1 55421558 NUMFHXVCIDXDTR-UWVJOHFNSA-N 397.656 3.646 50 50 GHGA Cc1nc(-c2cccs2)ccc1C(=O)NCCSSCCC(=O)O 1875389047 ZSWUYNJQDORILT-UHFFFAOYSA-N 382.532 3.704 50 50 GHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 1429338 HSUNJKXFOMTBCD-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1 1209293 KHKRHXHJVIPTAQ-GZPJKGAFSA-N 390.487 3.999 50 50 GHGA CC[C@H](CC(=O)N1CCCCC12CC(NC(=O)CCl)C2)Cc1ccccc1 1875383523 XGJRDQQVVGCJDR-QXAHSBQVSA-N 390.955 3.914 50 50 GHGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 9089224 HJGCKFMLFDYEGJ-MFKUBSTISA-N 397.438 3.815 50 50 GHGA CC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(Br)cc1 169809303 MDGPCUSYXKGALX-UHFFFAOYSA-N 394.407 3.749 50 50 GHGA in-vitro CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2OCC)n[nH]1 868176 ZTLBAEFAWDNAGA-HYARGMPZSA-N 378.432 3.638 50 50 GHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1Cl 4229931 AYHBANBSIKSUCG-SSDVNMTOSA-N 381.819 3.596 50 50 GHGA N#C/C(=C\c1cc(O)cc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 811626022 AUQWPFUKALUAAB-WUXMJOGZSA-N 398.348 3.986 50 50 GHGA O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 170626275 DPYKKVANQQPQPG-CHWSQXEVSA-N 390.777 3.915 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1176210 KXTNVIDEZYPXDD-KZULUSFZSA-N 393.424 3.865 50 50 GHGA O=C(N/N=C/c1ccc(Br)cc1)c1ccc[n+](Cc2ccccc2)c1 1203456 RQYMZYUCBYPNLD-LPYMAVHISA-O 395.280 3.549 50 50 GHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 1229993 LFOKEMJJVWMNNE-UHFFFAOYSA-N 375.266 3.821 50 50 GHGA aggregator Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3ccccc3)c2)cc1 32593014 RUADRVGSISYCBL-MYYYXRDXSA-N 387.439 3.776 50 50 GHGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@H]32)C1 252693320 CDZFBBLHHNZLCF-YZVBJJKCSA-N 387.524 3.905 50 50 GHGA biogenic O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Br)s1 863786 LXFSTQPDXWBXAR-FRKPEAEDSA-N 395.307 3.629 50 50 GHGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccs3)cc2)cc1 4231956 BOPGBACTEYPIAP-DEDYPNTBSA-N 399.497 3.621 50 50 GHGA O=C(COc1ccccc1Cl)N/N=C/c1coc2ccc(Cl)cc2c1=O 2521964 BZOJIOLHFGEPKC-ODCIPOBUSA-N 391.210 3.629 50 50 GHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1OC 4168880 LVWMUUZNZSIMDT-MRXNPFEDSA-N 394.456 3.764 50 50 GHGA CC1=C(C#N)C(c2c(Br)cncc2Br)C(C#N)=C(C)N1 25694939 ARULOPXEVXNISO-UHFFFAOYSA-N 394.070 3.889 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1 662889 JZTNZQNWWWYNIH-YSURURNPSA-N 398.356 3.876 50 50 GHGA COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O 2572484 KXDONFLNGBQLTN-WUXMJOGZSA-N 397.481 3.695 50 50 GHGA in-vitro Cc1ccc(N2C(N)=C(C#N)[C@H](c3cnn(C)c3)C3=C2CCCC3=O)cc1Cl 2754286 FJWUYUGTGXTNQZ-IBGZPJMESA-N 393.878 3.687 50 50 GHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1O 5130267 WXMJSDGRDNIWCO-INIZCTEOSA-N 394.818 3.662 50 50 GHGA CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 1724801 UALXQWNUXKECJD-GOSISDBHSA-N 386.404 3.841 50 50 GHGA in-vitro Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc(Br)cc1 4980379 YFFGGUYCFZWCSY-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2518535 KDXVYAIPQAYNOV-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Br)s2)n[nH]1 5483932 XPSZUNHREARVKK-RQZCQDPDSA-N 375.251 3.665 50 50 GHGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)cc1 1193170 CIRNXAJTCARFGG-FYJGNVAPSA-N 382.489 3.697 50 50 GHGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2c1 5387322 ODJXQJYGAZUPNY-WJDWOHSUSA-N 389.415 3.680 50 50 GHGA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN)cc1 1943983 BXVOLSBVLSRLHE-OAHLLOKOSA-N 383.492 3.943 50 50 GHGA O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(CBr)cc1 2549644 FHDWKBODRXIYFC-UHFFFAOYSA-N 393.306 3.584 50 50 GHGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 6825136 MRCQMYUKLTVWOW-LSFURLLWSA-N 383.757 3.756 50 50 GHGA BrCc1cccc(I)c1Br 85224455 KDGFTIJXTPBJBP-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA in-vitro O=C(O)CCSSCCNC(=O)CCc1ccc(Cl)cc1Cl 1875388408 ADDOBBOEFSXEQV-UHFFFAOYSA-N 382.334 3.898 50 50 GHGA CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 12363416 HRSZLFRUKYEABH-YBEGLDIGSA-N 382.372 3.609 50 50 GHGA O=C(Nc1c(Cl)cc(NC(=O)[C@@H](F)Cl)cc1Cl)c1cnccn1 2325898234 XUUUEGSKWIHIEE-LLVKDONJSA-N 377.590 3.509 50 50 GHGA CN(CC(=O)N/N=C/[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1ccccc1 22205908 OSYYGPNLKKMAEE-YDENCQFZSA-N 376.287 3.812 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1Br 226694456 AFPJHKUEMYEVQI-FCTPAVRSSA-N 378.314 3.792 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)C1CCCC1 1875383922 HIRMJSLFRAJDQN-IEBWSBKVSA-N 376.928 3.527 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)nc2ccccc21 946006 PAWGEHNQSCGEIX-FYJGNVAPSA-N 397.460 3.597 50 50 GHGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229159 RWJGQPWRWLJOTJ-LZCVXGSNSA-N 385.423 3.599 50 50 GHGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(F)c2)=C1C#N 729004 XHKMJNLLZLXDQA-KRWDZBQOSA-N 395.459 3.845 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 1741412 IGXOXTDRGBZPMS-LFVJCYFKSA-N 386.455 3.769 50 50 GHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccc(Cl)cc1 4282511 OBCZQBVZKOMABP-UFFVCSGVSA-N 387.226 3.630 50 50 GHGA Cc1cc2occ(C(=O)N3CCC(CCNC(=O)CCl)CC3)c2cc1C 1875384264 NGLIXBCTKFNOJP-UHFFFAOYSA-N 376.884 3.647 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(F)cc2)nnc1-c1ccccc1 863990 MSWWOXMTVSQWLI-HYARGMPZSA-N 397.479 3.737 50 50 GHGA COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1O 1233834 NTQHEIWNPDZVHD-UVPCLOGWSA-N 386.451 3.857 50 50 GHGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)NC12CC3CC(CC(C3)C1)C2 5073572 AXQVJJCOODMTHW-AWQFTUOYSA-N 392.843 3.556 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(C(F)(F)F)c1 753406 JSGOGYNEAXUYBS-HNNXBMFYSA-N 383.329 3.765 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)C1CCCCC1 1875383871 GEDFAWGSDCESGS-FQEVSTJZSA-N 390.955 3.528 50 50 GHGA COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1OCCC(=O)O 222278309 UPRVMIRQISMDBK-XNTDXEJSSA-N 390.395 3.820 50 50 GHGA O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc(Br)c1 1228446 PVAABJSVFUUDNC-CAOOACKPSA-N 398.054 3.681 50 50 GHGA O=C(CCl)NCc1ccc(CNC(=O)c2csc3c2CCCC3)c(F)c1 1875383767 DQAQBEDKKYDQKK-UHFFFAOYSA-N 394.899 3.551 50 50 GHGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 989231 RFDSBFNJHILWLU-GOTSBHOMSA-N 391.478 3.709 50 50 GHGA Cc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1440716 KKJKDEMIJZZSJK-XXBNENTESA-N 398.510 3.966 50 50 GHGA COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)c(OC)c1 17079271 XWEICXGPYIJQQY-MHWRWJLKSA-N 388.427 3.948 50 50 GHGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)Nc1ccc(F)cc1 2857540 HIYSQIUFANDQIO-UHFFFAOYSA-N 395.887 3.964 50 50 GHGA N#Cc1ccc(NNC(=O)c2ccc(N=c3cc[nH]cc3)cc2)c(C(F)(F)F)c1 799748923 DXNUMCAKZIPUND-UHFFFAOYSA-N 397.360 3.894 50 50 GHGA CC(/C=C/c1ccccc1)=NNC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 245246475 MMDPWNGMXKMMJB-KDDAHPLVSA-N 380.404 3.519 50 50 GHGA O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1 5777642 IASJVZCAVCLZBZ-HYARGMPZSA-N 390.399 3.617 50 50 GHGA Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 17077155 QRGCFLNTGZEZAU-KGLIPLIRSA-N 377.366 3.970 50 50 GHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H](O)c1ccccc1 1210920 JMPWPQTZICWMLK-AJPHYDNBSA-N 396.450 3.723 50 50 GHGA Cn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nc2ccccc21 1455439 GHGHVGVEHWXHQX-WSDLNYQXSA-N 390.468 3.675 50 50 GHGA COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1 5570180 IEYVVVMUOHTIRZ-OAHLLOKOSA-N 398.315 3.541 50 50 GHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)c1 4282512 HFKUMIDZJABHFS-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA N#C/C(=C\c1cn(Cc2cccc(Br)c2)c2ccccc12)C(N)=O 17077678 OUUISBXDFOMAOT-NTEUORMPSA-N 380.245 3.844 50 50 GHGA C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(C)cc1 6995708 PZYROXZVXNMUGS-VQHVLOKHSA-N 386.267 3.535 50 50 GHGA Cc1ccccc1C1(CN(Cc2cscn2)C(=O)CCl)CCOCC1 1875374149 CLOUUKXSTQRFJS-UHFFFAOYSA-N 378.925 3.767 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cnccn1 4259504 JYULEMOGZBFGJJ-VULFUBBASA-N 396.406 3.613 50 50 GHGA O=C(Cn1c(=O)sc2cccc(Cl)c21)Oc1ccc([N+](=O)[O-])c(Cl)c1 5716552 MHXISGJKCAXMRU-UHFFFAOYSA-N 399.211 3.884 50 50 GHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 13482975 MVBKUFCOWPEERW-OEAKJJBVSA-N 384.443 3.643 50 50 GHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc(O)c2)n[nH]1 4981285 MVJKXEMJILZKBY-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA Cn1ccnc1SCc1csc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 1432553 DISBRMLREWAWDZ-INIZCTEOSA-N 398.513 3.589 50 50 GHGA C/C(=N/NC(=O)c1csc(C)c1C)c1cccc(NC(=O)c2ccnn2C)c1 5959021 LYGKYOKCIOUQDB-QRVIBDJDSA-N 395.488 3.505 50 50 GHGA O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(O)ccc2ccccc12 5102521 YCXLWZXHUKCICM-SRZZPIQSSA-N 395.440 3.837 50 50 GHGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Br)cc1 2374454 VEFLMADNCVCUON-IMRMQAIZSA-N 385.265 3.585 50 50 GHGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 1469139 MZMYBFPOFONJPV-LPYMAVHISA-N 391.431 3.947 50 50 GHGA N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 4149637 GNVKIBOBCIVULL-LFIBNONCSA-N 377.411 3.780 50 50 GHGA N#C/C(=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc2ccccc2[nH]1 4906137 GWDOABDLMFJYER-UKTHLTGXSA-N 380.363 3.771 50 50 GHGA Cc1cc(NNC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1Br 132939594 BVEBTPBSKXEGSC-UHFFFAOYSA-N 378.226 3.742 50 50 GHGA COc1cc(/C=N/NC(=O)CCCc2cc3ccccc3[nH]2)cc(OC)c1OC 1193098 PONQIOYPMQDXBW-OEAKJJBVSA-N 395.459 3.667 50 50 GHGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c(Cl)nc2c1 2391517 RKOQCGOQTDFPIU-SSDVNMTOSA-N 380.835 3.594 50 50 GHGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OCCCC)cc2)cc1 4366531 IRBRKYIGZVVHGZ-XQNSMLJCSA-N 382.460 3.959 50 50 GHGA CO[C@@H](/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H]1CCOC1 1875266163 DLAAJJDVIIIQKD-KNXCTVGOSA-N 395.484 3.730 50 50 GHGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 253471629 WHBNDGCXVRLRQA-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)[C@@H]1COc2ccccc2O1 1226699 QDAPJGDTFDWBOV-QKXOWGBTSA-N 382.803 3.890 50 50 GHGA COc1cc2c(cc1/C=N/NC(=O)COc1ccc3c(c1)CCCC3)CCC2 1021619 QPVKAGGMHUWSDB-ZVHZXABRSA-N 378.472 3.592 50 50 GHGA O=C(NNc1ncnc2ccccc12)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1775985804 WBDJYYYURUKAMY-UHFFFAOYSA-N 398.348 3.796 50 50 GHGA CCCCNC(=O)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2089777 JUKSWMBQIYOUTJ-UHFFFAOYSA-N 392.459 3.655 50 50 GHGA O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cc(O)cc(O)c1 13321575 BSPDAKPGLFZHLB-FSJBWODESA-N 380.375 3.580 50 50 GHGA O=C(C[C@@H]1CCCCCC1(F)F)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384731 VQYBISRTIKMHQJ-JKSUJKDBSA-N 386.870 3.805 50 50 GHGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccccc1 1037100 VFORUARCDXMTQI-SNVBAGLBSA-N 384.288 3.779 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)cc1 1875384739 VVTGNIPVOSJFIS-AWEZNQCLSA-N 390.886 3.836 50 50 GHGA Cc1cc2c(cc1C)/C(=N/NC(=O)c1nnc(-c3ccccc3)o1)CCCO2 1875258293 KSHMKFAVLVNDJG-OQKWZONESA-N 376.416 3.660 50 50 GHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1 705979 FFZRWNFXKAKXCB-FQEVSTJZSA-N 376.412 3.520 50 50 GHGA O=C(N/N=C/c1ccccc1Br)c1c[nH]nc1-c1cccs1 6423894 ROLRDBWGEKECKV-CAOOACKPSA-N 375.251 3.665 50 50 GHGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1csc2ccccc12 1875383313 ONMLWHRNOPXPMI-VQIMIIECSA-N 384.888 3.652 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3)[nH]n2)cc1 4953971 QJOLWJRXIUGVOH-HYARGMPZSA-N 378.432 3.638 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccc(O)cc1 39942869 VNSJMKGEKVFZRE-RGVLZGJSSA-N 399.248 3.699 50 50 GHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 946004 IIVBKEYYNFXRLP-FYJGNVAPSA-N 397.460 3.597 50 50 GHGA COc1cc([C@H]2CC(=O)NC(SC)=C2C#N)ccc1OCc1ccccc1 9088985 HYDYOCZKOQUQAX-MRXNPFEDSA-N 380.469 3.976 50 50 GHGA O=C(COc1ccc2c(c1)CCC2)NNC(=O)Nc1cc(Cl)ccc1Cl 17080509 NWQOOCPRQBKLQD-UHFFFAOYSA-N 394.258 3.714 50 50 GHGA O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(Br)cc1 1848443923 FSAXRZLOWCJRDO-GRSHGNNSSA-N 394.656 3.581 50 50 GHGA O=C(O)c1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 1084136 XSHYHFMTMOXRRW-ZMOGYAJESA-N 385.423 3.669 50 50 GHGA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCSSCCC(=O)O 1875388466 BYDJXUXZPXATHN-NSHDSACASA-N 395.468 3.856 50 50 GHGA Cc1ccc(NC(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 2852746 VBDGAKZIEQMMMB-UHFFFAOYSA-N 375.494 3.616 50 50 GHGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccncc1 1775976841 QNCOBSMRSNBJOD-HXUWFJFHSA-N 387.370 3.658 50 50 GHGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752566 HRUJLUCMRLQBFM-VGOFRKELSA-N 399.450 3.853 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1 872265 ZPGJCUALYHHASE-SRZZPIQSSA-N 376.243 3.884 50 50 GHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 1230091 XHOQPFHMRYBPRI-UHFFFAOYSA-N 375.266 3.821 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)c(C)s1 4978940 PRVFUJOTQWOWJK-OAHLLOKOSA-N 393.428 3.881 50 50 GHGA Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c(C)c1 1155210 PNBQSLTYXLBWDC-QGZVFWFLSA-N 387.399 3.820 50 50 GHGA CCCNC(=O)NNC(=O)c1cc(-c2ccccc2OCC)nc2ccccc12 17080127 RAIQFBJPGQUPFA-UHFFFAOYSA-N 392.459 3.655 50 50 GHGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 1453489 VIZMVPDBFYKWFG-XPAGJJBOSA-N 397.656 3.726 50 50 GHGA CC(C)(C)c1coc(CN(C[C@@H]2OCCc3ccccc32)C(=O)CCl)n1 1875384482 QKOWMWKWGIHXTM-INIZCTEOSA-N 376.884 3.854 50 50 GHGA O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CN2CCOCC2)cc1 19418418 HHDJQTKRMGILPL-WGOQTCKBSA-N 399.494 3.535 50 50 GHGA Cc1ccc(-c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)o2)cc1Cl 4482172 DIDSSXCQLDCECA-RIYZIHGNSA-N 393.834 3.615 50 50 GHGA COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1O 1233836 NTQHEIWNPDZVHD-KXWHUPIZSA-N 386.451 3.857 50 50 GHGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)o1 987204 OCSAAZYCICRKLL-CQSZACIVSA-N 397.232 3.959 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(CN2CCCCCC2)cs1 4751291 JPSLYJHUBCUHPR-IBGZPJMESA-N 383.517 3.939 50 50 GHGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 5018166 GDQXUQORWQBHNQ-MDWZMJQESA-N 390.790 3.952 50 50 GHGA Cc1cc(C)cc(OCc2ccc(C(=O)NNC(=O)NC3CCCCC3)o2)c1 8335908 HNWIIDYMOCCASL-UHFFFAOYSA-N 385.464 3.752 50 50 GHGA CC(=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 245328204 UDJCCUDPSKUKMD-UHFFFAOYSA-N 378.344 3.810 50 50 GHGA CN(C(=O)c1cccc2cc(F)ccc12)C1CCC(NC(=O)CCl)CC1 1875383662 BSFTUPIOKGCYAO-UHFFFAOYSA-N 376.859 3.717 50 50 GHGA COc1ccc(NCCCC(=O)N/N=C/c2cccc(Br)c2)cc1 2996122 LWBCFDCZRRGWAE-FYJGNVAPSA-N 390.281 3.800 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(Br)s1 752558 SGLFSBUIEYQMOA-GFCCVEGCSA-N 383.267 3.545 50 50 GHGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(Br)c1 752680 PRUNJFZRTLACML-GLEZIHRCSA-N 377.213 3.649 50 50 GHGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)NC2CCCCC2)=C1C#N 1137416 XMKFKLMPKQWQAF-KRWDZBQOSA-N 383.517 3.516 50 50 GHGA Cn1c(SCC(=O)N/N=C/c2sc3ccccc3c2O)nc2ccccc21 1196717 XFLWVEQKMDGFSI-KEBDBYFISA-N 396.497 3.736 50 50 GHGA Cc1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(O)c3)o2)c([N+](=O)[O-])c1 32573525 SIXKILPOEOYKAH-NHDPSOOVSA-N 395.371 3.545 50 50 GHGA COc1cc(Br)cc(/C=C(\C#N)C(=O)NC2CCCCC2)c1O 2987166 HKJHWLRVULMLIS-KPKJPENVSA-N 379.254 3.519 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccc(O)cc1 4167422 SJNPAWCLCGUVMJ-LNKMMKDDSA-N 388.471 3.801 50 50 GHGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 6885316 XTYPWHGDAKKNLE-MFKUBSTISA-N 381.439 3.757 50 50 GHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 2299404 BXYKSJCWPBHHTI-FYJGNVAPSA-N 380.425 3.740 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)c1ccc([N+](=O)[O-])cc1 5402600 OGTJXSYZHRZTQL-GIJQJNRQSA-N 389.824 3.854 50 50 GHGA COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc(C#N)cc2)cc1OC 16195389 ZLBDFOVJMPIGOF-APSNUPSMSA-N 382.803 3.836 50 50 GHGA CCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2Br)cc1 1230240 XSBRJWAVJKBEGE-RGVLZGJSSA-N 391.265 3.549 50 50 GHGA Cc1n[nH]c2c1[C@H](c1ccccc1OCc1ccccc1F)C(C#N)=C(N)O2 1144812 FCWVQBPPBQJVBI-LJQANCHMSA-N 376.391 3.654 50 50 GHGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)NCc1ccccc1 5041366 PQVVEGRZQDDBHQ-UHFFFAOYSA-N 391.924 3.503 50 50 GHGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 13281421 VCJNEFCVEGFBHH-OAQYLSRUSA-N 379.423 3.947 50 50 GHGA CC(=O)N1CCc2cc(C(=O)NN=C(c3ccccc3)c3ccccc3)ccc21 302848168 DMQNWXZEOUXQER-UHFFFAOYSA-N 383.451 3.778 50 50 GHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)s1 712340 VXZDDOLNTVQFGL-CYBMUJFWSA-N 379.279 3.961 50 50 GHGA O=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1C(F)(F)F 1394304 HLFPZFUOGQAPBY-UHFFFAOYSA-N 379.363 3.632 50 50 GHGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccccc1Cl 3191371 VOFYFEALPGTTKJ-KRWDZBQOSA-N 380.787 3.679 50 50 GHGA CCOc1ccc(/C=C(\C#N)c2c(C#N)c(N)nn2-c2ccccc2)cc1OC 4808674 XUWTUSWCLZZZBV-LFIBNONCSA-N 385.427 3.798 50 50 GHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nc2ccccc21 12413812 XADZVKPTDRTFRQ-ONRJMHNSSA-N 394.500 3.972 50 50 GHGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1n[nH]c2c1CCc1ccccc1-2 1201502 YXVODCSDMCJKFL-BHGWPJFGSA-N 384.361 3.958 50 50 GHGA C=CCNC(=S)NNC(=O)c1cc(-c2ccc(CC)cc2)nc2ccccc12 2112657 QRYGXYVVQWQZRB-UHFFFAOYSA-N 390.512 3.759 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc([N+](=O)[O-])s1 4997568 IEVKIXJEUNIDQM-CYBMUJFWSA-N 399.819 3.918 50 50 GHGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)o1 987203 OCSAAZYCICRKLL-AWEZNQCLSA-N 397.232 3.959 50 50 GHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 5634027 QUZHCOQHRJKNFG-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1I 245226596 GAZDXELBWDNRMI-SVUHRWEISA-N 382.245 3.568 50 50 GHGA CC[C@H](Sc1ccccc1)C(=O)N1CCC(CC)(NC(=O)CCl)CC1 1875384700 UWWDXJAXVZQMJZ-INIZCTEOSA-N 382.957 3.684 50 50 GHGA O=C(CCCCCCCCCCBr)OCCCS(=O)(=O)O 4773326 MZJCWVQQXGVRQC-UHFFFAOYSA-N 387.336 3.713 50 50 GHGA Cc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1)C(Cl)Cl 5334684 FGLJVQRTSHSANQ-HNNXBMFYSA-N 382.316 3.841 50 50 GHGA NC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1080655 HJVBSPGEBHBIQS-ZVHZXABRSA-N 375.428 3.847 50 50 GHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl 3032095 OQUYJFVEXODLNS-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)C1CCCCC1 1875384192 LVMLKKRRDINVNY-OXJNMPFZSA-N 390.955 3.602 50 50 GHGA COCc1nc(CN(Cc2cccc3c2CCCC3)C(=O)CCl)cs1 1875383973 HZWZOHOCKKGDEZ-UHFFFAOYSA-N 378.925 3.936 50 50 GHGA C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cccc(NC(=O)C2CCC2)c1 689225 VSVGHAKRIUHTDG-KOEQRZSOSA-N 393.487 3.961 50 50 GHGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 941949 BNHRKUGIBFFYHX-XPAGJJBOSA-N 382.203 3.819 50 50 GHGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccccc1Cl 3191372 VOFYFEALPGTTKJ-QGZVFWFLSA-N 380.787 3.679 50 50 GHGA Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5344817 DGTQMEDRQRDFGD-PXLXIMEGSA-N 393.468 3.560 50 50 GHGA CSc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 1087261 BIYKMSXKMJTCAH-LICLKQGHSA-N 396.253 3.777 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1 1197875 DEOLMJUAXTZDFI-UDWIEESQSA-N 395.396 3.639 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccncc1 2950086 SLQBOKPXCYZDDP-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCC)cc3)n[nH]2)cc1 5050477 PVHZEEQBRHAWHH-HYARGMPZSA-N 378.432 3.638 50 50 GHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(N(C)C)cc3)c2C)cc1 5296116 RUWYFEHXLJEBKW-OEAKJJBVSA-N 391.475 3.614 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccccn1 1021818 HYLQDUPFGMBLGV-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA O=C1[C@H](Br)[C@H]2CC(CBr)C[C@@H](C2)[C@H]1Br 230055446 NIGHUSUWVGGZII-RBXMUDONSA-N 388.925 3.524 50 50 GHGA Cc1nn(C)c(NC(=O)NNc2ccc(F)c(F)c2F)c1-c1ccccc1 1875304066 YRNJXIGMMCYWOK-UHFFFAOYSA-N 375.354 3.961 50 50 GHGA O=C(CCl)NC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2cc(F)ccc12 1875383909 HDPHDYRKPFBCFE-KBXCAEBGSA-N 376.859 3.623 50 50 GHGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 4473478 RFDSBFNJHILWLU-PKTZIBPZSA-N 391.478 3.709 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 1233665 YQSFOVHZGGQFEY-HYARGMPZSA-N 375.384 3.938 50 50 GHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(Cl)c1Cl 4230107 JKUFCFMEGCOBQD-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 1176208 KXTNVIDEZYPXDD-XIKOKIGWSA-N 393.424 3.865 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1 2519991 FIUHVIDPYINWOJ-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1Cl 2903530 GQQAHXXAASBGOD-WSDLNYQXSA-N 381.819 3.591 50 50 GHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c1 4209689 APUBDZBMGPZJIR-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1cccs1 1243676 JMJIOFQQBQDJLF-ZDUSSCGKSA-N 387.461 3.598 50 50 GHGA COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CCC3)c2)cc1OC 5612489 PCMZHEUFWUGUQG-OYKKKHCWSA-N 395.459 3.596 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 4953986 FUCDHYYLENRZBM-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 1103937 JZMUVMDZSZRPCS-IUOVYFEOSA-N 399.244 3.893 50 50 GHGA COc1cccc(NC(=O)NNC(=O)CSCc2c(F)cccc2Cl)c1 2854646 JNQIPGSLWQLLAL-UHFFFAOYSA-N 397.859 3.574 50 50 GHGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 5041506 UUXLWLWFTPSQND-OAHLLOKOSA-N 391.427 3.663 50 50 GHGA COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1 6663971 YCRFNLQBAAIYDC-FQEVSTJZSA-N 388.427 3.524 50 50 GHGA O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)NC1CCCCC1 1118378 RAYYYIMTMRBETF-UHFFFAOYSA-N 378.432 3.772 50 50 GHGA Cc1cccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)c1 1152136 VSCRLEZFYUFKLQ-OAHLLOKOSA-N 382.316 3.841 50 50 GHGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1Cl 5129909 WNIFVDTWEVLUMK-HNNXBMFYSA-N 393.790 3.856 50 50 GHGA O=C(CCl)NC[C@H]1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)CC1 1875383060 FEDZZSPEWXHHDS-KBAYOESNSA-N 376.928 3.527 50 50 GHGA COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccco1 722076 UBOUBSQCDSTDDP-GOSISDBHSA-N 381.457 3.986 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(Br)cc1 730061 RTCMCXYJWZJXJO-YBFXNURJSA-N 387.237 3.895 50 50 GHGA CCn1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cn1 1848444191 UCXVWHCETNPSSM-UFFVCSGVSA-N 392.488 3.684 50 50 GHGA N#C/C(=C\c1ccccc1I)S(=O)(=O)c1ccccc1 1120521 DNWSHMJBSUYOME-GXDHUFHOSA-N 395.221 3.630 50 50 GHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)cs1 2291167 XJAMFJVAUTWYAR-HNNXBMFYSA-N 376.279 3.795 50 50 GHGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 4897932 YPKKIPUXUWLYNB-YBFXNURJSA-N 386.458 3.837 50 50 GHGA CCOC(=O)C1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12 4708707 LTFVNPOQANLVDL-UHFFFAOYSA-N 397.500 3.991 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)[nH]n2)c1 1199674 LIEDRLLJOHELAW-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA CCOc1ccccc1C(=O)N/N=C/c1cc(OC)ccc1Br 1192720 DJOULAUKCSFSQE-YBFXNURJSA-N 377.238 3.620 50 50 GHGA C/C(=N\NC(=O)c1ccccc1I)c1ccc(C)cc1 1229919 DWHKXAMYQGFLLN-LDADJPATSA-N 378.213 3.754 50 50 GHGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)s1 2102460 MUFHZOJNBNMNDA-KLKIZMIFSA-N 380.223 3.848 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)cc1 4033890 NDCGVFQKJUCNTI-HYARGMPZSA-N 378.432 3.638 50 50 GHGA Cc1nn(C)cc1/C=N/NC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 6399489 QCZGZUKSJKGARI-YCYFYPMKSA-N 392.507 3.665 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 12343143 GNGMMXWLRUIOEW-SRZZPIQSSA-N 397.258 3.930 50 50 GHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@@H](CC(C)(C)C)CC3)cc1OC 5295952 BEVAQYRYJLNDKW-WQEJZQBCSA-N 398.507 3.732 50 50 GHGA Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1 32606335 ADJDFANAYIOIJU-XKZIYDEJSA-N 394.452 3.805 50 50 GHGA CCCC[B-]1(CCCC)OC(C/C(N)=C(\C#N)C(=O)OCC)=Nc2cccc[n+]21 169794686 MOIZTTMWGKJOGC-ZCXUNETKSA-N 398.316 3.614 50 50 GHGA CCc1ccccc1NC(=S)NNC(=O)CSCc1ccc(F)cc1 6395240 KSSDZORAHJNWHI-UHFFFAOYSA-N 377.510 3.639 50 50 GHGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cn(C)nc1C 17078913 YAOWZWPTSZYXKR-NTUHNPAUSA-N 386.477 3.636 50 50 GHGA COC(=O)/C=C(\CCCCO[Si](C)(C)C)[Sn](C)(C)C 169830732 ZFDJRLQJLRTJJE-UHFFFAOYSA-N 393.188 3.985 50 50 GHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4261020 XERHTNRGGHNFNS-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1)c1ccco1 13544399 HLNBXZMBXXJDFE-LZYBPNLTSA-N 379.239 3.648 50 50 GHGA COc1ccc(OC)c(NC=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2039335256 WJJMBXVHSKGYTG-UHFFFAOYSA-N 378.837 3.608 50 50 GHGA CCOc1ccccc1NC(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 1119185 AAAIQSWMOHTHFY-UHFFFAOYSA-N 382.247 3.788 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 2870817 ZDELYOLWRNYAJH-HZHRSRAPSA-N 384.455 3.541 50 50 GHGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2)C12CCC2 1875384248 NAOXMLCXHKCMNS-OALUTQOASA-N 382.891 3.750 50 50 GHGA CCC(=NNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 245246110 ISESXWZOVIDQMY-UHFFFAOYSA-N 382.420 3.552 50 50 GHGA Cc1cc(C)c(CC(=O)N2CCC[C@H](C)[C@H]2CCCNC(=O)CCl)s1 1875384520 RLZSQORVRNCCEJ-XJKSGUPXSA-N 384.973 3.670 50 50 GHGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 5041505 UUXLWLWFTPSQND-HNNXBMFYSA-N 391.427 3.663 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cc(OC)ccc1OC 4751331 PUSPISRLUMEOCL-FQEVSTJZSA-N 394.427 3.849 50 50 GHGA CC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O 3136129 HGXQBBDZJIPMIE-KEBDBYFISA-N 391.265 3.922 50 50 GHGA Cc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1F 2325732660 ZSDZMWRCMFCYME-UHFFFAOYSA-N 382.366 3.721 50 50 GHGA Cc1ccc2c(c1C)NC(=O)/C2=N\NC(=O)Cc1ccc(Cl)c(Cl)c1 17076906 QRHJSJJQBYYAKO-UHFFFAOYSA-N 376.243 3.625 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(C(F)(F)F)c1 100406092 JQZSKAGIPPFIDZ-HNNXBMFYSA-N 396.324 3.846 50 50 GHGA CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 1431945 IZJWQYMJRXSKOX-SNVBAGLBSA-N 394.287 3.696 50 50 GHGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1cccc(Br)c1 9636192 PQFDYQTWSRAKSH-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA O=C(C[C@@H]1CCCCCC1(F)F)NC[C@H](NC(=O)CCl)c1ccccc1 1875384729 VQYBISRTIKMHQJ-HOTGVXAUSA-N 386.870 3.805 50 50 GHGA O=C(O)[C@@H]1C[C@H](Br)[C@@H](Br)C[C@H]1Cc1ccccc1 6995689 AAALQQFPMTXRQS-NDBYEHHHSA-N 376.088 3.867 50 50 GHGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccccc1 6402921 HGCLKINQPAFNMT-UHFFFAOYSA-N 383.901 3.730 50 50 GHGA CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 1468575 MTRPPFXFJDIMEX-CIAFOILYSA-N 393.403 3.536 50 50 GHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)ccc1O 5444443 RIRRDSRKKLCORJ-DJKKODMXSA-N 390.852 3.660 50 50 GHGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 13511211 RFDSBFNJHILWLU-DHIUTWEWSA-N 391.478 3.709 50 50 GHGA COc1cc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)ccc1O 1189070 IJBUJHKWOKKJHZ-ZMOGYAJESA-N 387.439 3.685 50 50 GHGA Cc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)c([N+](=O)[O-])c1 1228130 SHOZRNBOHYECAJ-UFFVCSGVSA-N 398.806 3.634 50 50 GHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 1214498 ZTYRONCZJQFYSK-HYARGMPZSA-N 375.384 3.938 50 50 GHGA CCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1 18148627 MBVBMNBNBWSWPE-QLBRXNFHSA-N 390.443 3.913 50 50 GHGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(Br)s1 667321 UIAAZOHQFCADIT-FZSIALSZSA-N 387.642 3.657 50 50 GHGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 3110550 RQRJGPKPWOBFSO-HYARGMPZSA-N 391.431 3.842 50 50 GHGA Cc1c(C(=O)NNc2nc3ccccc3c(=O)[nH]2)oc2c1ccc1ccccc12 137182381 DMFSRJZAUSIYQK-UHFFFAOYSA-N 384.395 3.888 50 50 GHGA CCCc1noc2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)N2 60032862 ADYHLAWJIZNJMM-CYBMUJFWSA-N 377.217 3.780 50 50 GHGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2cccnc12 1215300 WCCZAPSTTOFXTF-BGHCKBSUSA-N 393.443 3.560 50 50 GHGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccnc1 4360128 UTTZJGLHZPFTQU-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 4210327 KFXPFDQLASBSJR-SQTMOLFMSA-N 386.407 3.775 50 50 GHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(CC)cc3)n[nH]2)ccc1O 867936 FHCGCZNNALDUNR-LPYMAVHISA-N 378.432 3.507 50 50 GHGA COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 936810 PCGBFZNTJFORRD-OVCLIPMQSA-N 393.848 3.704 50 50 GHGA Cc1n[nH]c2c1[C@H](c1ccccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 1148653 POLFGEHYSBRDSQ-LJQANCHMSA-N 376.391 3.654 50 50 GHGA C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)c2ccncc2)c1 5795633 URKHKQSEKVUOPO-OEAKJJBVSA-N 378.457 3.858 50 50 GHGA Cc1cc(C)c(CC(=O)N2CCC[C@@H](C)[C@@H]2CCCNC(=O)CCl)s1 1875384518 RLZSQORVRNCCEJ-CJNGLKHVSA-N 384.973 3.670 50 50 GHGA O=C(CCl)NCc1ccc(CNC(=O)Cc2cccc3ccccc23)c(F)c1 1875383677 BYFRAHBXIRXVGV-UHFFFAOYSA-N 398.865 3.693 50 50 GHGA COc1cc(OC)c(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 669837 JFNJOZIHNWTJKA-DJKKODMXSA-N 397.656 3.884 50 50 GHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4261074 NNNIRMICEFCWSN-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc2ccccc2c1 102309813 YOESMHKCOLFWNV-LFVJCYFKSA-N 375.428 3.740 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccccc1 863950 BCKYDAJEZXSZBW-CIAFOILYSA-N 399.907 3.861 50 50 GHGA CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)C(C#N)=C3C)o2)cc1 5871410 DHHMNTHOFOOTMV-YBEGLDIGSA-N 376.368 3.843 50 50 GHGA Cc1nn(C)cc1/C=N/NC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 6413266 QCZGZUKSJKGARI-BWYWKRLTSA-N 392.507 3.665 50 50 GHGA CCCNC(=O)/C(C#N)=C\c1cc(Br)c(Br)s1 17077309 PTWWGSMWWZBLJI-DAXSKMNVSA-N 378.089 3.706 50 50 GHGA c1ccc([P+](CCC2O[C@H]3C[C@@H]3O2)(c2ccccc2)c2ccccc2)cc1 100700838 WDHNBUIBCONNPW-GOTSBHOMSA-N 375.428 3.884 50 50 GHGA O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H]1CC1(c1ccccc1)c1ccccc1 811457 AUJDAFPYGRENTR-PXMCARDJSA-N 384.435 3.872 50 50 GHGA CCC[C@]1(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@H]12 252584853 DHVBBAMFXDEZTQ-LSEQDNRRSA-N 378.466 3.752 50 50 GHGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752567 HRUJLUCMRLQBFM-JTSKRJEESA-N 399.450 3.853 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(C(F)(F)F)c1 756573 JQZSKAGIPPFIDZ-OAHLLOKOSA-N 396.324 3.846 50 50 GHGA Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccccc1F)C(C#N)=C(N)O2 1144814 FCWVQBPPBQJVBI-IBGZPJMESA-N 376.391 3.654 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccccc1F 1296221 BHMFEPAULGCGTA-OAHLLOKOSA-N 399.422 3.675 50 50 GHGA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2545120 QZIWWFMMLBBICG-QGZVFWFLSA-N 386.404 3.636 50 50 GHGA in-vitro CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@@H]2CO2)cc1 6693086 HLLOKZYCSSQYEB-YLJYHZDGSA-N 376.880 3.769 50 50 GHGA biogenic,in-vitro CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 4231389 RVSMVEWELLGKEX-LPYMAVHISA-N 386.883 3.583 50 50 GHGA O=C(NNc1cccnc1Cl)c1cccc(-n2nccc2C(F)(F)F)c1 128405745 DVNAZUQMCQRZKJ-UHFFFAOYSA-N 381.745 3.696 50 50 GHGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2553764 QZGUMJXZBFGZHF-MFKUBSTISA-N 387.439 3.667 50 50 GHGA COc1ccc(OCC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 5795816 QIXCWFJXTXPHCV-SSDVNMTOSA-N 383.835 3.734 50 50 GHGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cnccc1N1C[C@@H]2C[C@H]2C1 1875347187 KDFGWIKGMAQYCK-KBPBESRZSA-N 390.484 3.719 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2ccccc2[C@@H]2CC2(F)F)CCCCCC1 1875384974 ZWHMJTVHCKPPHY-INIZCTEOSA-N 398.881 3.987 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1C[C@@H](c1ccccc1)CC2=O 691068 VRYLDPPYHTVCMC-FOIQADDNSA-N 390.512 3.719 50 50 GHGA O=C(NNC(=S)Nc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1 2794087 WBIHLYXPORIYSB-UHFFFAOYSA-N 387.358 3.555 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12 2112691 XDNDRDFMXYWJGR-UHFFFAOYSA-N 378.501 3.647 50 50 GHGA CCn1cc(/C=C(\C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OC)c(C)n1 17078910 ZMHGWORDRTUUJF-NTUHNPAUSA-N 386.477 3.729 50 50 GHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1O 1202900 HUQPHIILSICTLG-OEAKJJBVSA-N 376.412 3.500 50 50 GHGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2cccnc12 1215296 WCCZAPSTTOFXTF-LZCVXGSNSA-N 393.443 3.560 50 50 GHGA CCCCOc1ccc(C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 16980147 KPVXQYPMMQYHIE-UHFFFAOYSA-N 386.448 3.655 50 50 GHGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 731296 LLWDPPBLWQOUIM-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3C)c2)cc1 731335 XZGGQMQBCSZNEX-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1O)C12CC3CC(CC(C3)C1)C2 4948612 UMLCUPRNQABCJW-KEBDBYFISA-N 377.282 3.821 50 50 GHGA COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 5028324 NBOLGONTOSLACO-QPEQYQDCSA-N 397.818 3.841 50 50 GHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 5402921 NGNXBJGBJZCPNG-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA O=C(N/N=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1 30774213 DEOLMJUAXTZDFI-NDENLUEZSA-N 395.396 3.639 50 50 GHGA BrCC(CBr)=C(CBr)CBr 2034582 GJZKNORRVIUCCH-UHFFFAOYSA-N 399.746 3.863 50 50 GHGA biogenic,in-vitro Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccccc1 4231470 HVASGXZSXVDISK-QGMBQPNBSA-N 397.070 3.558 50 50 GHGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 5815878 GRBCPQSYOXCJTK-FDDCHVKYSA-N 398.510 3.966 50 50 GHGA O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N1CC[C@]2(CCNC2)C1 842762719 ILLSVNBUYSXFRZ-ZDUSSCGKSA-N 392.415 3.718 50 50 GHGA CC(C)[C@@H](CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2)NC(=O)CCl 1875384078 KZYSPHUSLQQTSC-UKRRQHHQSA-N 384.973 3.715 50 50 GHGA CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)C)cc1 2867184 NVGYWHGUOHOMLY-QGZVFWFLSA-N 398.503 3.929 50 50 GHGA NC(=O)O[C@@H](c1ccccc1[N+](=O)[O-])P(=O)(c1ccccc1)c1ccccc1 1234738 ZWWHITWKBWKGBX-LJQANCHMSA-N 396.339 3.703 50 50 GHGA CC(C)Cc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2n1 2737986 CMRHCLBWBACVIM-FSJBWODESA-N 375.428 3.926 50 50 GHGA Cc1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 732002 PXTKOUIZFAFZSA-LFIBNONCSA-N 392.846 3.684 50 50 GHGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc([N+](=O)[O-])c1 1877916 DNNQFKUJMUDJPJ-YBFXNURJSA-N 380.316 3.527 50 50 GHGA N#CC1=CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CC1 864097492 UOQPQDHQWXACRV-UHFFFAOYSA-N 399.419 3.673 50 50 GHGA Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 17079065 LZNJFGQDINSAQD-LFIBNONCSA-N 387.399 3.943 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)C1CCCC1 1875383924 HIRMJSLFRAJDQN-PKOBYXMFSA-N 376.928 3.527 50 50 GHGA C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccccc1Cl 100089465 XWRKSWHWMVDZML-ZMOGYAJESA-N 387.911 3.921 50 50 GHGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(OCc2ccccc2)c1 5589627 PNCPIXHIVOGJQE-AFUMVMLFSA-N 384.439 3.766 50 50 GHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372808 KRHKEONTBPFSOM-FVQJWRHTSA-N 376.412 3.682 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 1778182 GTYAGIQCYCCZKZ-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccs1)C(C#N)=C(N)O2 1472172 QHXGQPLESIJTNJ-IBGZPJMESA-N 389.480 3.679 50 50 GHGA CS(=O)(=O)/C(C#N)=C/c1cn(Cc2cnc(Cl)s2)c2ccccc12 4050443 OOXUOGPUMKTUME-AWNIVKPZSA-N 377.878 3.709 50 50 GHGA CC(C)(C)OC(=O)N1CC(SSC2CN(C(=O)OC(C)(C)C)C2)C1 1775954798 KGDYFZQKTFRNOY-UHFFFAOYSA-N 376.544 3.606 50 50 GHGA C[C@]12CCN(Cc3cc(C#N)ccc3Br)C[C@H]1[C@@H]2Br 2325726766 FNBYDJRQEKXHTL-QEJZJMRPSA-N 384.115 3.926 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 1875384709 VDJLNRABNOENGX-FQEVSTJZSA-N 386.923 3.802 50 50 GHGA CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 5023524 ZJPXARLTPMDNKH-YBEGLDIGSA-N 382.372 3.652 50 50 GHGA COc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1OCC(=O)O 4810729 PUBRNRDSWOEWFC-OQLLNIDSSA-N 377.400 3.716 50 50 GHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 1229860 DURUZBGQBDWYEU-UHFFFAOYSA-N 375.266 3.821 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc1 2531735 OOEFJOGDXFAGBM-HZHRSRAPSA-N 380.444 3.945 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)c1O 17015602 HGPAFCWOKBBGJP-YDZHTSKRSA-N 392.459 3.753 50 50 GHGA Cc1ccc2oc(-c3ccc(NC(=O)NNc4nc5ccccn5n4)cc3)nc2c1 1875319612 KGSOLYGIVDYSBY-UHFFFAOYSA-N 399.414 3.995 50 50 GHGA O=C(N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)Cl)c1ccccc1 5735386 IBTIIQYBSVUAET-CQSZACIVSA-N 386.279 3.672 50 50 GHGA C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)[C@@H]2Br 145283126 FYVXSJHUBPYLLD-MVHNUAHISA-N 388.925 3.525 50 50 GHGA CC(C)(C)OC(=O)N[C@H](CNC(=O)CCl)c1cccc(Cl)c1Cl 1875379688 UTPZOWBHLWUZTE-LLVKDONJSA-N 381.687 3.914 50 50 GHGA O=C(CSCc1c(F)cccc1Cl)NNC(=S)NC1CCCCC1 2851042 ZDGMTDHOBCBXMO-UHFFFAOYSA-N 389.949 3.540 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6447317 IFWAHIYSVLWDEM-UHFFFAOYSA-N 384.892 3.684 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1210885 RGWSUHBMGXKGMW-AMLNBPPMSA-N 394.233 3.636 50 50 GHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1 102294500 CCGKCCUABWDJDM-XQNSMLJCSA-N 375.513 3.879 50 50 GHGA CC1=C(C#N)C(c2cc(I)ccc2F)C(C#N)=C(C)N1 623304 UCEMLRBNKZOZNC-UHFFFAOYSA-N 379.176 3.712 50 50 GHGA CSc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1213820 SFWUASCMTPHFEJ-XQNSMLJCSA-N 376.481 3.795 50 50 GHGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 844177 TWJJAWGOQGBDIJ-LJQANCHMSA-N 387.439 3.857 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC 2506331 CXKFQDHYIXHYRD-UDWIEESQSA-N 389.249 3.786 50 50 GHGA CC(C)[C@@H](CCN(C)C(=O)c1cccc2cc(F)ccc12)NC(=O)CCl 1875383965 HWBLVKOMCYZVOV-GOSISDBHSA-N 378.875 3.821 50 50 GHGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 1426970 BSJFINLEBIGDDZ-LBPRGKRZSA-N 378.812 3.854 50 50 GHGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)c(OC)c1 2898247 HCOGNMIPGYXNQE-LFVJCYFKSA-N 395.503 3.799 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c(C)s1 4978872 BLPJDXMCDUAFQT-HNNXBMFYSA-N 393.428 3.881 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCC)n[nH]2)cc1 868084 WOVXWMJMAILVQL-HYARGMPZSA-N 378.432 3.638 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1 945838 JVSYBZIHXATHSS-HZHRSRAPSA-N 375.476 3.995 50 50 GHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1 4954875 ICYFCPAAQNUPSG-QDBZKISHSA-N 394.374 3.868 50 50 GHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c1 6736048 SUKVNDWTMITYPA-LFYBBSHMSA-N 386.791 3.632 50 50 GHGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)c1 867998 JDLNCRDCKSQLOA-DJKKODMXSA-N 390.852 3.573 50 50 GHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@@H]2C1 13479736 VZUGOUCWQLUUNX-BEFAXECRSA-N 395.869 3.613 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(C(F)(F)F)cc1 756571 CDQPVDQSEWSIGS-HNNXBMFYSA-N 396.324 3.846 50 50 GHGA CC(C)c1ccccc1O[C@@H](C)C(=O)NNC(=S)Nc1cccc(F)c1 5041475 JZYYYSBQAGSNHK-ZDUSSCGKSA-N 375.469 3.734 50 50 GHGA Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)C(C#N)=C(N)O2 1141957 UUWQRNRIISPSID-IBGZPJMESA-N 376.391 3.654 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)c1sccc1C(F)F)C1CCCCC1 1875383718 DHUQRFVOLPHGOJ-GFCCVEGCSA-N 378.872 3.719 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 945610 BKSVTDXEJWPWAF-HZHRSRAPSA-N 391.475 3.695 50 50 GHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(Br)c1 1211198 UBJBTJCFGZRQOZ-GIJQJNRQSA-N 389.278 3.568 50 50 GHGA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2938636 NJDZCCJYUBNBMK-RDTXWAMCSA-N 386.404 3.841 50 50 GHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4[C@H]2[C@H]2[C@H]1C(=O)[C@H]1[C@@H]2[C@H]4[C@@H]2[C@@H]3C=C[C@H]21 248148763 FWRYDKHNELALTG-NBNWTQQNSA-N 382.576 3.561 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c(O)c1 1208928 FEVQCSDKLXZDED-OEAKJJBVSA-N 392.459 3.966 50 50 GHGA O=C(N/N=C/c1ccccc1Br)c1cc(-c2cccs2)n[nH]1 5126104 OWZDWZHDSNZJRX-RQZCQDPDSA-N 375.251 3.665 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 9334907 GRPPLBCAAOCEDY-UDWIEESQSA-N 383.249 3.993 50 50 GHGA COc1ccccc1OCC(=O)N/N=C/c1cc2cc(C)ccc2nc1Cl 1204858 INVIYWQTHKCIOH-SSDVNMTOSA-N 383.835 3.734 50 50 GHGA COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1 5570178 IEYVVVMUOHTIRZ-HNNXBMFYSA-N 398.315 3.541 50 50 GHGA CCCC1=C(C(=O)OCC)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 752430 VAAGNGKUCZEBSQ-OAHLLOKOSA-N 391.265 3.874 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1 2686192 AFHNHWAOPBMNLB-PTZPRWATSA-N 377.492 3.669 50 50 GHGA BrCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816329 ZFXHHEFPXKTMDE-UHFFFAOYSA-N 381.389 3.942 50 50 GHGA O=C(CCl)N(CCc1ccc(F)cc1)Cc1cnc(C2CCOCC2)o1 1875384877 YBGBVIKXHUFSJG-UHFFFAOYSA-N 380.847 3.518 50 50 GHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(=O)OC)cc1 664266 GQBZPZCKMDOZAR-FQEVSTJZSA-N 377.444 3.538 50 50 GHGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2553106 BEEYJEYSYDDPBG-ZVBGSRNCSA-N 375.215 3.564 50 50 GHGA Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)NC1CCCCC1 2760833 KAYMEFZOFUNION-UHFFFAOYSA-N 376.844 3.580 50 50 GHGA C[C@@H]1CCc2cc(C(=O)NNC(=S)NCc3ccc(Cl)cc3)sc2C1 5061021 WUYFYXZZVVYNNL-LLVKDONJSA-N 393.965 3.835 50 50 GHGA CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2C(=O)[C@H]3[C@@H]4[C@H]2[C@H]2[C@H]1C(=O)[C@H]1[C@H]5C=C[C@@H]3[C@@H]5[C@H]4[C@@H]12 248148756 FWRYDKHNELALTG-DYWZMQBTSA-N 382.576 3.561 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1Br 5400543 HRTTXPBRRXKFLM-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@H]2C1 13381980 YSBSLQRCXADTIO-DOTOQJQBSA-N 398.297 3.739 50 50 GHGA Cc1ccc(C2(C(=O)NNc3nc(-c4ccccc4)no3)CCOCC2)cc1C 847480493 NXJVNPWTCQWJRX-UHFFFAOYSA-N 392.459 3.545 50 50 GHGA O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1ccc2n[nH]cc2c1 804211429 QVDXQPXHHOZQGV-UHFFFAOYSA-N 398.348 3.796 50 50 GHGA C[C@@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)c1ccc(Cl)s1 1875383916 HFYZKAJHHKUNSG-LLVKDONJSA-N 377.337 3.679 50 50 GHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 4258764 QVPKUCIYFBWHFP-LPYMAVHISA-N 387.867 3.916 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Br 625994 BLFPNXIXUPFMIC-HNNXBMFYSA-N 395.212 3.774 50 50 GHGA biogenic,in-vitro N#C/C(=C\c1ccc(COc2ccccc2Cl)o1)C(=O)NC[C@H]1CCCO1 17079003 BELTWRGBSWKYQA-HFQYIWAZSA-N 386.835 3.714 50 50 GHGA Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N(C)C)o1 101011996 DOWZZTKAUDZGPU-UHFFFAOYSA-N 387.443 3.668 50 50 GHGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 8462800 TVEIBCZEHAJHES-MFKUBSTISA-N 397.438 3.815 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(F)cc1 9374645 OSWWQGLCPRWGFI-MRXNPFEDSA-N 381.432 3.536 50 50 GHGA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCSSCCC(=O)O 1875388465 BYDJXUXZPXATHN-LLVKDONJSA-N 395.468 3.856 50 50 GHGA CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 728505 PCTIMUPDNHHOQY-AWEZNQCLSA-N 379.279 3.888 50 50 GHGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc2ccccc2cc1O 1087280 XTFYZTFVHVNUEN-KEBDBYFISA-N 385.217 3.777 50 50 GHGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl 1472187 MRXYGNDWLAOJTD-LBPRGKRZSA-N 387.650 3.857 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Br)C(C#N)=C(N)O1 4990375 YUAXZJAPBIXNTH-HNNXBMFYSA-N 391.265 3.874 50 50 GHGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC 5353333 VHXQQZFREFTQQV-WSDLNYQXSA-N 398.850 3.901 50 50 GHGA C/C(=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc(N)cc1 5034367 VDRSATZNIPDLBJ-ZMOGYAJESA-N 377.492 3.614 50 50 GHGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccccc1Cl 6789638 FMJKJBFMBODQIT-UHFFFAOYSA-N 379.938 3.899 50 50 GHGA Clc1ccc([C@]2(Cn3cncn3)C[C@@H](Br)CO2)c(Cl)c1 2383073 HJJVPARKXDDIQD-NOZJJQNGSA-N 377.069 3.664 50 50 GHGA biogenic,in-vitro Cc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 20026612 CBXMRVYGDPZUCM-UNMCSNQZSA-N 395.466 3.514 50 50 GHGA Cc1ccc(S(=O)(=O)OCP(=O)(c2ccccc2)c2ccccc2)cc1 2697207 HKKRDUYSXQTLDH-UHFFFAOYSA-N 386.409 3.672 50 50 GHGA biogenic COc1cccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)c1 946172 MYBMUQBQAJDYKK-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Br)s2)n[nH]1 9110290 QLQWEYPHVPPAHX-VIZOYTHASA-N 381.280 3.726 50 50 GHGA COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccc(OC)cc1)[C@@H]1CO1 169834198 YSHOJIYQOZIJJE-OKZBNKHCSA-N 396.556 3.543 50 50 GHGA CN1C(=O)CCc2cc(CN(Cc3cc(F)cc(F)c3)C(=O)CCl)ccc21 2325890427 GDOTUYJQNJULBS-UHFFFAOYSA-N 392.833 3.641 50 50 GHGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@@H](Cl)[C@@]2(O)C1 253499257 DNJABCBTMIQRHM-VIUKAKDESA-N 382.928 3.862 50 50 GHGA biogenic COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 730094 RKUCZFODHHECON-ZVHZXABRSA-N 398.422 3.780 50 50 GHGA O=C(N/N=C/c1cccc2cccnc12)c1ccn(Cc2ccc(Cl)cc2)n1 1208444 WKYPPEMRMJPHNO-ZMOGYAJESA-N 389.846 3.897 50 50 GHGA N=C1N=C(c2ccccc2)N[C@@]1(NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 1775976405 RCRYOUUQIUTPAR-QGZVFWFLSA-N 395.677 3.597 50 50 GHGA Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc(O)ccc3O)c2)cc1 13321366 QKFDYKKEYGMOKT-YDZHTSKRSA-N 376.412 3.749 50 50 GHGA N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)OCO2 17077130 VXEKUIFKTRDWHM-WEVVVXLNSA-N 377.219 3.785 50 50 GHGA CCOc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1C 2851647 XRGJSNNHBJMUQF-UHFFFAOYSA-N 389.546 3.645 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1 32606132 RMEVDAOKJWPWIT-QRVIBDJDSA-N 393.468 3.838 50 50 GHGA N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(N)=S 2887537 AMQFQFSBANWLLB-LCYFTJDESA-N 378.432 3.612 50 50 GHGA CCc1ccc(-c2cc(C(=O)NN)c3cc(Br)ccc3n2)s1 1505475 RAOKUHUYJLDAGL-UHFFFAOYSA-N 376.279 3.892 50 50 GHGA O=C(c1ccccc1)N(CCCl)C(=O)N(CCCl)C(=O)c1ccccc1 1715064 CAYQQOUTYXJYBW-UHFFFAOYSA-N 393.270 3.869 50 50 GHGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4209360 ICNKUKKEHCDBNO-OEAKJJBVSA-N 377.444 3.875 50 50 GHGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 3202363 GSLHRTBTKJPHAE-HYARGMPZSA-N 375.384 3.791 50 50 GHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1 5402690 UKCDNVSFGMCJSM-HYARGMPZSA-N 378.432 3.638 50 50 GHGA C=C[C@H](COCOC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169836842 WFKDNCPFOOTEGC-HXUWFJFHSA-N 384.592 3.986 50 50 GHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1 4261248 WJWXKIIHHNDXEW-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Br)[nH]n2)cc1 5125828 OOAKBWFTHOIYSX-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)o1 4535368 QETMXUUWMFNVAZ-UKTHLTGXSA-N 393.834 3.615 50 50 GHGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl 1472188 MRXYGNDWLAOJTD-GFCCVEGCSA-N 387.650 3.857 50 50 GHGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccs1)C(C#N)=C(N)O2 1472171 QHXGQPLESIJTNJ-LJQANCHMSA-N 389.480 3.679 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCc1ccccc1 4748797 KYXDAHXSRMTNFV-LPYMAVHISA-N 391.383 3.643 50 50 GHGA Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16424834 LORJZCYJNWOZBI-WQRHYEAKSA-N 395.459 3.945 50 50 GHGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 2760149 WNNOEQMRAPWQPW-UHFFFAOYSA-N 375.856 3.869 50 50 GHGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@H](C)C(=O)O 4453050 XAVGNURUZYXXSR-QQFZQELXSA-N 377.400 3.878 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1 1752515 YEXRHOCDVMZYMX-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(Br)c1 752681 PRUNJFZRTLACML-AYVTZFPOSA-N 377.213 3.649 50 50 GHGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 841890 BQGYWUMLSHIMJI-LLVKDONJSA-N 385.272 3.628 50 50 GHGA Br[C@H]1C[C@@H](Br)[C@H](Br)C[C@H]1Br 100957679 RPHHTGJFIDZLLP-KAZBKCHUSA-N 399.746 3.834 50 50 GHGA CC(C)(C)c1cc(CN(C[C@H]2OCCc3ccccc32)C(=O)CCl)no1 1875384447 PPVQQZFDZCHDOB-QGZVFWFLSA-N 376.884 3.854 50 50 GHGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(Cl)cc1 6789619 QWVAHUNRPFUYST-UHFFFAOYSA-N 379.938 3.899 50 50 GHGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Br)cc2)[nH]n1 5402885 WSYUQYJATIWMJD-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2C[C@H](CC(C)(C)C)CC3)cc1 5296079 IDVRKGBNZLCOBC-BRABVMKYSA-N 381.524 3.781 50 50 GHGA Cc1cccc(COc2ccccc2/C=N/NC(=O)c2cc(O)cc(O)c2)c1 13321589 BCNRKCREEUCJAI-YDZHTSKRSA-N 376.412 3.749 50 50 GHGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@H]32)C1 253499042 CDZFBBLHHNZLCF-OPWZRZJTSA-N 387.524 3.905 50 50 GHGA biogenic Cc1ccc2sc(C(=O)NC3(CNC(=O)CCl)CCCCC3)cc2c1 1875384451 PSIGQKSWYIUMKK-UHFFFAOYSA-N 378.925 3.997 50 50 GHGA CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)Nc2cc(C)ccc2C)cc1 17076822 WWEONVCRRNDAGK-CQSZACIVSA-N 375.494 3.832 50 50 GHGA COc1cc(Cl)ccc1NC(=O)NNC(=O)Nc1ccc(Cl)cc1OC 2167420 XHBQWDRGSXLMKB-UHFFFAOYSA-N 399.234 3.869 50 50 GHGA COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1OC 2521974 ISCJZXHTEWVEKN-AWQFTUOYSA-N 383.231 3.540 50 50 GHGA CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 17077709 ZPCHWZRITPNEJD-DHDCSXOGSA-N 380.400 3.758 50 50 GHGA COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 1195223 BEYIEAIFFGTIRT-LPYMAVHISA-N 393.399 3.865 50 50 GHGA Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)o1 668740 ZDJNLONJNBZNOA-SSDVNMTOSA-N 377.847 3.743 50 50 GHGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1C 17080781 OZBYGHBJIZUMPE-CYBMUJFWSA-N 395.381 3.942 50 50 GHGA O=C(O)COc1ccccc1/C=N/NC(=O)c1sc2ccccc2c1Cl 1185627 NSJWTRBPVCPLDE-AWQFTUOYSA-N 388.832 3.782 50 50 GHGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 4335829 UMZDIPZQJVKLOO-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA CCCCc1[nH]nc2c1[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2 5045036 UHBQKTVMPFQSSW-GFCCVEGCSA-N 379.283 3.794 50 50 GHGA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=Cc1ccc(Br)o1 238924294 RSYAWOFWHQVIKL-JTQLQIEISA-N 385.645 3.922 50 50 GHGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752565 HRUJLUCMRLQBFM-VGSWGCGISA-N 399.450 3.853 50 50 GHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(OC)cc2)[nH]n1 4953959 XHDACYRCDMOXPW-HYARGMPZSA-N 378.432 3.638 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 16188512 BBIZTTNJSJVPSQ-UHFFFAOYSA-N 384.892 3.684 50 50 GHGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 632345 RAYJVLGQSBDKCZ-LJQANCHMSA-N 382.460 3.840 50 50 GHGA CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 1468571 ZQKCBZNWISBZRI-CIAFOILYSA-N 393.403 3.536 50 50 GHGA N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCO2 3617653 QHYUAOVLPNLUIP-KPKJPENVSA-N 385.763 3.565 50 50 GHGA O=C(NNc1ccc(C(F)(F)F)cc1)c1cnc(OCc2ccccc2)cn1 760463076 MBNWVCIPGGMZAF-UHFFFAOYSA-N 388.349 3.831 50 50 GHGA Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1 3109729 AVYDPSBAHLXXSY-HNNXBMFYSA-N 382.316 3.841 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)s1 17886430 OJZZFSPEBCWJJV-GIJQJNRQSA-N 389.278 3.973 50 50 GHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1 1085549 ORZVHCOLNNOCTF-CYBMUJFWSA-N 379.279 3.961 50 50 GHGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1O 1020956 UIBQNYGFNPJDIL-AWQFTUOYSA-N 383.231 3.627 50 50 GHGA Cn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nc2ccccc21 1474993 NHSMJLBUCJFTGO-LSHDLFTRSA-N 392.406 3.835 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 727610 SNLVDJHSEBMNKQ-CAOOACKPSA-N 382.601 3.775 50 50 GHGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccccc1 4372727 OYLKHYROSKXIKT-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA CS/C(N)=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102314125 FVIBDMZAFPTSMS-DQRAZIAOSA-N 375.457 3.995 50 50 GHGA O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc(O)ccc1O 13321362 ALKAETVAHDDVQR-FSJBWODESA-N 380.375 3.580 50 50 GHGA O=C(N/N=C/c1ccc(O)cc1)C1CCN(Cc2ccc(F)cc2Cl)CC1 999845 XPCNWRWPAPRFMB-FSJBWODESA-N 389.858 3.547 50 50 GHGA C[C@]1(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(Cl)Cl 2090160 IGLPSQDFGBZQDR-ODGHKMFZSA-N 382.203 3.889 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C(F)(F)F)[nH]n2)cc1 5297725 AWQSRUDOJJGNNU-FOKLQQMPSA-N 388.349 3.868 50 50 GHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 5045065 XQBSATSNMMYDGM-SRZZPIQSSA-N 397.276 3.840 50 50 GHGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(Br)cc2Cl)c1 1875264690 BZBSTBWZPJAWTM-VXLYETTFSA-N 380.673 3.932 50 50 GHGA Cc1cccc(CC(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)c1 1875384370 NXOITUDOXLCGBU-OAQYLSRUSA-N 394.902 3.903 50 50 GHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1O 5296052 CZDNUCGMZIDWAV-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA O=C(CCOc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccccc1 5572229 VSOZHYCYBRYRAD-UHFFFAOYSA-N 384.288 3.780 50 50 GHGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1cccs1 2309483 JMJIOFQQBQDJLF-CYBMUJFWSA-N 387.461 3.598 50 50 GHGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(F)cc2F)CCCC1 761156124 CADBTZNUALHNJY-UHFFFAOYSA-N 384.386 3.970 50 50 GHGA O=C(NNc1ccc(C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21 2510807 SGOJASKAYXOQGD-UHFFFAOYSA-N 375.384 3.645 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccccc1 863924 SDNQUBVMYDFVBP-CIAFOILYSA-N 399.907 3.861 50 50 GHGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1cccnc1 5020158 BLGZNTUSZPZBSW-NRFANRHFSA-N 389.480 3.983 50 50 GHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccc(Br)cc2)cc1 13369937 QYCMWDKCADVBDW-SRZZPIQSSA-N 383.249 3.912 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/C=C/c1ccccc1 2172451 KHZACAWXLJKFQZ-CXHGCJEXSA-N 376.243 3.539 50 50 GHGA BrCc1cc(I)ccc1Br 90627515 ZUXVQLWVDZQCMV-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA Cc1ccc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)cc1 1875384435 OZCHUENZRABPJX-FQEVSTJZSA-N 380.875 3.974 50 50 GHGA C=CCn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17078669 YPSYQSMLWMVIDV-BOPFTXTBSA-N 385.423 3.779 50 50 GHGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(OCC)c1 1205184 YYFWBRWEMGGRHP-CIAFOILYSA-N 399.472 3.868 50 50 GHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1c1ccccc1 4957802 ZCWRCVQZAVHIFI-VABKMULXSA-N 396.490 3.944 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3F)c2)cc1 2543254 IZAKLUGNJWHOSK-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 22590546 HGBZSOOINIZSHE-KDPMPHTCSA-N 398.462 3.930 50 50 GHGA CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@H]2CO2)cc1 6693090 HLLOKZYCSSQYEB-XLIONFOSSA-N 376.880 3.769 50 50 GHGA biogenic,in-vitro O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](O)c1ccccc1 1210917 JMPWPQTZICWMLK-DZQSVEARSA-N 396.450 3.723 50 50 GHGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1sc2ccccc2c1Cl 39948455 PMDXOOCCJLMZQU-QGMBQPNBSA-N 375.793 3.932 50 50 GHGA CCOC(=O)/C(C#N)=C/Nc1ccc(NCCN(CC)CC)c2ccccc12 71767213 WLIVRPZKKOQNNI-WUKNDPDISA-N 380.492 3.976 50 50 GHGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 1426969 BSJFINLEBIGDDZ-GFCCVEGCSA-N 378.812 3.854 50 50 GHGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2)cc1C 6401080 UMKSWPPOBQAVFG-UHFFFAOYSA-N 377.510 3.694 50 50 GHGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 6788283 DYYOPWLVMKEEPD-UHFFFAOYSA-N 379.938 3.899 50 50 GHGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc2ccccc12 2381356 LUKWMAHZXIJWKV-ZVHZXABRSA-N 383.407 3.787 50 50 GHGA BrCc1ccc(I)c(Br)c1 166982589 DIFSVINSKXBNLI-UHFFFAOYSA-N 375.829 3.949 50 50 GHGA Cc1cc(CCCC(=O)N2CC[C@H](C)[C@@H](CNC(=O)CCl)C2)c(C)s1 1875384527 RZPKMAQEZOIXCH-GUYCJALGSA-N 384.973 3.527 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)c(C)s1 4978939 PRVFUJOTQWOWJK-HNNXBMFYSA-N 393.428 3.881 50 50 GHGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 4296118 ZIEQJMUHTZBZAZ-ZVBGSRNCSA-N 375.215 3.564 50 50 GHGA O=C(N/N=C/c1ccncc1)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 9089097 KPCUKYLFGFAISA-MFKUBSTISA-N 397.438 3.815 50 50 GHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 4751307 DDRWAQFTYSCTIT-IBGZPJMESA-N 378.384 3.560 50 50 GHGA O=C(CCl)NC[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C1CCCCC1 1875383872 GEDFAWGSDCESGS-HXUWFJFHSA-N 390.955 3.528 50 50 GHGA COc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)c1 6570720 CHAYWSWDWLSLET-UHFFFAOYSA-N 375.519 3.657 50 50 GHGA C[C@]12CCN(Cc3cc(C#N)ccc3Br)C[C@@H]1[C@H]2Br 2325726768 FNBYDJRQEKXHTL-YUELXQCFSA-N 384.115 3.926 50 50 GHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)C(F)F)c1 675793 NKBKGPMDWTUNLZ-ZVBGSRNCSA-N 385.273 3.595 50 50 GHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 3113488 WPWBYUGLRNNHHN-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA COc1ccc(-c2[nH]nc3c2[C@H](c2c(F)cccc2F)C(C#N)=C(N)O3)cc1 804052 WTCOQWQOEVLENQ-HNNXBMFYSA-N 380.354 3.582 50 50 GHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 6785915 CTUIFBQFFDDVPS-ZVHZXABRSA-N 398.422 3.780 50 50 GHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)c(CC)s1 1106687 HRLJLUKGKSYMOA-AWEZNQCLSA-N 397.294 3.718 50 50 GHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4981989 JCVHPSWMCHWFRU-UUYOSTAYSA-N 378.388 3.725 50 50 GHGA O=C(N/N=C/c1ccccc1Br)c1n[nH]c2c1CCc1ccccc1-2 5297647 ZEBIGYIVANFHRX-SRZZPIQSSA-N 395.260 3.702 50 50 GHGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 2544087 ITCLURMQILOMOF-WQAGWHGLSA-N 390.270 3.929 50 50 GHGA Cc1nn(CC(=O)N/N=C/c2cccc3ccccc23)c(C)c1Br 695457 KGBOLSVDIYKIOY-KEBDBYFISA-N 385.265 3.566 50 50 GHGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210897 FZPPKUCYJSIGJR-OVMKCGGTSA-N 398.806 3.714 50 50 GHGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1 6885319 RGFBJVFGIVRMQJ-MFKUBSTISA-N 381.439 3.757 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c(O)c1 945729 GYDYMCVGVFZRDN-OEAKJJBVSA-N 391.475 3.701 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 752533 OTRJNIHEVIHBKY-VFNWGFHPSA-N 386.407 3.624 50 50 GHGA COc1ccc(-c2[nH]nc3c2[C@@H](c2c(F)cccc2F)C(C#N)=C(N)O3)cc1 804053 WTCOQWQOEVLENQ-OAHLLOKOSA-N 380.354 3.582 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1O 5125871 USVQPRHWEJENHB-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA Cc1nc2ccccc2n1CC(=O)N/N=C/C(Br)=C/c1ccccc1 5318840 CBAPGTLVPXSYIB-OQBHSHHWSA-N 397.276 3.883 50 50 GHGA Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)COc1ccc2ccccc2c1 15018405 UNVKDRYDRBEWHX-UHFFFAOYSA-N 393.830 3.653 50 50 GHGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 752555 RMVLDLJOAYSXPC-OAHLLOKOSA-N 391.265 3.874 50 50 GHGA O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-] 2041301 KIUMMUBSPKGMOY-UHFFFAOYSA-N 396.358 3.699 50 50 GHGA in-vitro,metabolite CCc1nc(NNC(=O)c2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2211697 YCPHKNWTYCTGMS-UHFFFAOYSA-N 382.489 3.862 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 5034555 APDFJFYLDIALBR-ZVHZXABRSA-N 398.470 3.952 50 50 GHGA COc1ccccc1/C=N/NC(=O)C(Oc1ccccc1)Oc1ccccc1 1214654 ZJOHIIXDBSSLQD-XQNSMLJCSA-N 376.412 3.629 50 50 GHGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 13511214 RFDSBFNJHILWLU-XZOQPEGZSA-N 391.478 3.709 50 50 GHGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 1227889 MUHWYWPXQBJPNU-JDNHERCYSA-N 389.249 3.518 50 50 GHGA COP(=O)(OC)O[C@H](Br)C(Cl)(Cl)Br 3874471 BUYMVQAILCEWRR-VKHMYHEASA-N 380.784 3.651 50 50 GHGA endogenous,in-man Cc1ccccc1NCC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4982257 AIVADKIZASZNSF-UUYOSTAYSA-N 378.388 3.725 50 50 GHGA C/C(=N\NC(=O)C1CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 4615019 BXMBOHMSNZNUHC-KEBDBYFISA-N 390.237 3.545 50 50 GHGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(F)c(Cl)c1 6529659 FNGUYKIZGPBDSU-UHFFFAOYSA-N 383.901 3.730 50 50 GHGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 5021003 BVTAYHSRFWPTFR-CXUHLZMHSA-N 382.239 3.502 50 50 GHGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 4330505 LFMCTQNIXHJUGS-SRZZPIQSSA-N 392.242 3.647 50 50 GHGA CN(CC(=O)N/N=C/[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1ccccc1 22205911 OSYYGPNLKKMAEE-OLTAIVCZSA-N 376.287 3.812 50 50 GHGA Cc1ccccc1-n1c(C)cc(C(=O)NCCSSCCC(=O)O)c1C 1875388679 LSVUBHGBUQFXHQ-UHFFFAOYSA-N 392.546 3.988 50 50 GHGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 3194800 SNAZMCYVVCNEMH-HYARGMPZSA-N 375.384 3.938 50 50 GHGA Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccncc1 1775975652 JVEUNGPEDXMEPV-OAQYLSRUSA-N 383.407 3.827 50 50 GHGA c1ccc(CCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169816404 ZTRBQGFTNPPRDD-UHFFFAOYSA-N 380.563 3.913 50 50 GHGA COc1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)cc1Cl 793817 JKEXTOOSWSYRLR-VVJWVBNBSA-N 384.819 3.792 50 50 GHGA O=C(N/N=C\c1ccccc1C(F)(F)F)c1n[nH]c2c1CCc1ccccc1-2 15722849 YXVODCSDMCJKFL-MYKKPKGFSA-N 384.361 3.958 50 50 GHGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Br)s2)cc1 5612690 YEVXRINKJDIMHN-GIJQJNRQSA-N 380.267 3.623 50 50 GHGA CC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 4282504 XRTKEUWZEMKEIE-KEPXNORLSA-N 387.233 3.538 50 50 GHGA CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C1 4677653 WULGKJDOSGTNHD-STCDJXRXSA-N 383.452 3.623 50 50 GHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCC)cc1 102294079 WWXRCMNGMAHSSF-XQNSMLJCSA-N 375.513 3.792 50 50 GHGA CCOC(=O)[C@@H](OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101021415 OEZWGWARLLESFE-DEOSSOPVSA-N 393.443 3.906 50 50 GHGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(Cl)ccc1O 1185680 KLBWLPGPHJXWHU-KEBDBYFISA-N 385.763 3.978 50 50 GHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)C2CCC2)cc1 5612616 LVPQJRSDPOSVLZ-ZVHZXABRSA-N 399.878 3.998 50 50 GHGA COc1ccc(C)cc1NC(=S)NNC(=O)CSCc1ccc(C)cc1 6400655 NPJBFZODHFIXJS-UHFFFAOYSA-N 389.546 3.563 50 50 GHGA N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 17079597 FWAJAYXKSZTDKR-NTEUORMPSA-N 390.374 3.533 50 50 GHGA O=C(CCl)NC1CC2(CCCCN2C(=O)[C@@H](Cc2ccccc2)C2CC2)C1 1875383291 NRFHXTLMCSKLBP-LVIWNVNYSA-N 388.939 3.524 50 50 GHGA O=C(CCl)NCC1(NC(=O)CC[C@@H]2CCc3ccccc32)CCCCC1 1875383750 DNFDNSXLFCENSE-KRWDZBQOSA-N 376.928 3.671 50 50 GHGA O=C(O)[C@@H]1C[C@H](Br)[C@H](Br)C[C@@H]1Cc1ccccc1 983789 AAALQQFPMTXRQS-LOWDOPEQSA-N 376.088 3.867 50 50 GHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(Br)ccc2O)cc1 1203462 LPLBLUYNJLWUHA-UFFVCSGVSA-N 399.248 3.617 50 50 GHGA C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCC)cc1OC 209648487 MVHDAKBVPBBQGH-ZROIWOOFSA-N 393.281 3.846 50 50 GHGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(=O)OC)cc1 664268 GQBZPZCKMDOZAR-HXUWFJFHSA-N 377.444 3.538 50 50 GHGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1coc2ccccc2c1=O 2521948 NBIXHDFZWOBXQI-ODCIPOBUSA-N 391.210 3.629 50 50 GHGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(NC(=O)C2CCC2)c1 1002581 QVIBKJWSASSUGS-OEAKJJBVSA-N 394.431 3.796 50 50 GHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 1056446 XXVSUEWFMGSOKX-SFHVURJKSA-N 392.440 3.961 50 50 GHGA N#CCCCn1cc(C(=O)NCCSSCCC(=O)O)c2ccccc21 1875388974 WWSVWNWWKQEIBP-UHFFFAOYSA-N 391.518 3.531 50 50 GHGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 1946262 PDXWNEMXQIWDTK-YBFXNURJSA-N 380.316 3.527 50 50 GHGA Cc1cc(Br)cc(C)c1OCC(=O)Oc1ccc([N+](=O)[O-])cc1 955095 ZVCMICMJEFQFRH-UHFFFAOYSA-N 380.194 3.959 50 50 GHGA Cc1cc(C)c([C@H](CC(=NNC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 244899791 ZQEULMYYROGWOA-MRXNPFEDSA-N 379.489 3.883 50 50 GHGA C[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1CCNC(=O)CCl 1875383661 BSAQDJQBZISAOV-UZLBHIALSA-N 386.923 3.755 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccncc1 2565282 VXRAPPUSZMRFEH-YDZHTSKRSA-N 379.803 3.718 50 50 GHGA COc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Cl 2565341 XRQJPBFGDTYVJJ-DJKKODMXSA-N 397.656 3.640 50 50 GHGA Cn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nc2ccccc21 1252473 KCDMRMJCUHPQKR-LSHDLFTRSA-N 392.406 3.835 50 50 GHGA Cn1cccc1-c1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1 946594 UQWXPNZEXNOVML-OOAUROHBSA-N 398.264 3.567 50 50 GHGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(OC)c1 1474852 PEYHBHFHQOBPAO-VXLYETTFSA-N 387.486 3.556 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)cc3)[nH]n2)cc1 5402602 LAKIMFHHIICMPF-HYARGMPZSA-N 378.432 3.725 50 50 GHGA CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 2859033 OTPBFVGUOHBVAZ-OAQYLSRUSA-N 390.439 3.910 50 50 GHGA O=C(CCl)NC[C@H]1CCCC[C@H]1NC(=O)c1cccc2cc(F)ccc12 1875383912 HDPHDYRKPFBCFE-RDTXWAMCSA-N 376.859 3.623 50 50 GHGA O=C(NNC(=O)c1sccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1394310 JAOSHNJDMXPUAP-UHFFFAOYSA-N 379.363 3.632 50 50 GHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 4260960 HUDMYFXAMSVALN-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA CCOc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6393592 URUDQLLZPCYYKR-UHFFFAOYSA-N 389.546 3.645 50 50 GHGA Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1 17078804 VEHPIYUIZDUGMW-MHWRWJLKSA-N 386.411 3.702 50 50 GHGA Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254385579 NHZVFJSBKMJLSU-UHFFFAOYSA-N 388.423 3.743 50 50 GHGA Cc1ccc2c(C(=O)NC3CC4(CC(NC(=O)CCl)C4)C3)csc2c1 1875383633 AYTYHCQSKKLWKY-UHFFFAOYSA-N 376.909 3.606 50 50 GHGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c(C(F)(F)F)c1 1775988650 XCRVFYDFFROAJO-LSFURLLWSA-N 385.773 3.894 50 50 GHGA CCOC(=O)Nc1sccc1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 35623037 KPYWIKUOYDMOFH-GDNBJRDFSA-N 376.459 3.963 50 50 GHGA CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)[C@@H]1C(=O)c2ccccc2C(=O)[C@@H]1Cl 100721920 QAYXHDRQVUEBDA-OKZBNKHCSA-N 397.858 3.750 50 50 GHGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 6885317 BLEZLWQEUIUYDR-MFKUBSTISA-N 381.439 3.757 50 50 GHGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)NC(C)C)o2)c1 8370860 RJQBUKPYTSCFNC-UHFFFAOYSA-N 389.521 3.808 50 50 GHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C\c2ccccc2O)[nH]n1 39942821 GBIRCCBWGXLUQI-QRVIBDJDSA-N 386.411 3.708 50 50 GHGA COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1 854027 BECVXQWUNWUMBC-LDADJPATSA-N 375.428 3.919 50 50 GHGA COc1ccc(Br)c(/C=N/NC(=O)COc2cccc(Cl)c2)c1 1214326 MIORJIZZJGLIBR-DJKKODMXSA-N 397.656 3.640 50 50 GHGA O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccc(Br)cc1 4989579 UHVPMGDWQUDCGB-WSVATBPTSA-N 381.613 3.595 50 50 GHGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)cc1 19798382 UXBMLVZTDHWAEW-CIAFOILYSA-N 399.497 3.854 50 50 GHGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc(F)c1 4209942 CTUIRCTUAWAUPA-LSFURLLWSA-N 389.839 3.574 50 50 GHGA CCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccc3ccccc3c2)cc1 245238880 BZCAVNPPEZCKQQ-UHFFFAOYSA-N 375.428 3.717 50 50 GHGA c1ccc([P+](CC[C@@H]2O[C@H]3C[C@H]3O2)(c2ccccc2)c2ccccc2)cc1 254701833 WDHNBUIBCONNPW-UBRQYEGLSA-N 375.428 3.884 50 50 GHGA O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccccc1OCc1ccccc1 2912293 AEMRSVAAUNJYEL-LFVJCYFKSA-N 393.487 3.555 50 50 GHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccccc1 4167691 MOAPSTSGFBCHPR-FQEVSTJZSA-N 388.427 3.524 50 50 GHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 4180886 XTJLTBRFFQTRSL-SFHVURJKSA-N 392.440 3.961 50 50 GHGA Cc1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353276 JPWPMZZLRRGUQC-ZVHZXABRSA-N 398.470 3.952 50 50 GHGA COCc1nc(Cl)cc(NNC(=O)c2ccccc2Nc2ccccc2)n1 225580203 BPCHQVWAHXWNQY-UHFFFAOYSA-N 383.839 3.777 50 50 GHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(CC)cc2)nc2ccccc12 2765240 ZSOSRHPJELQPDA-UHFFFAOYSA-N 378.501 3.593 50 50 GHGA COc1ccc(NC=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 2049463223 LKHKPUCGPURPIF-UHFFFAOYSA-N 378.837 3.608 50 50 GHGA COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3o2)c(OC)c1 951110 MVIKHNILAJGAKF-OQLLNIDSSA-N 377.352 3.741 50 50 GHGA COc1ccc(NNC(=O)C(O)(c2ccccc2C)c2ccccc2C)cc1 2858030 RNUFGAZVRNDBCA-UHFFFAOYSA-N 376.456 3.691 50 50 GHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)c1 4259633 IGRPSFGQKLDYKL-ZVHZXABRSA-N 392.386 3.817 50 50 GHGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(F)cc1F 6789626 XOCFYVUFAULAIY-UHFFFAOYSA-N 381.473 3.524 50 50 GHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cc(Br)cs1 752532 MQZWIZKHNVCFIL-LBPRGKRZSA-N 383.267 3.545 50 50 GHGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 841891 BQGYWUMLSHIMJI-NSHDSACASA-N 385.272 3.628 50 50 GHGA Cn1nccc1C=NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 253476371 BKWSYWOORMQRJT-UHFFFAOYSA-N 384.439 3.916 50 50 GHGA CC(C)[C@H](CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2)NC(=O)CCl 1875384080 KZYSPHUSLQQTSC-ZFWWWQNUSA-N 384.973 3.715 50 50 GHGA Cc1cc(CCCC(=O)N2CC[C@@H](C)[C@H](CNC(=O)CCl)C2)c(C)s1 1875384525 RZPKMAQEZOIXCH-CXAGYDPISA-N 384.973 3.527 50 50 GHGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc([N+](=O)[O-])cc1 9329945 WATBKCWGOLZTNO-RGVLZGJSSA-N 383.795 3.792 50 50 GHGA COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)c1 1775975008 AZIBBASHKDTFFD-OAQYLSRUSA-N 399.406 3.528 50 50 GHGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3O)[nH]n2)cc1 4993641 PERAABNOBHUDNP-HYARGMPZSA-N 378.432 3.725 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)c1 5125798 WVXRHPISZDBWSS-KGIMAENPSA-N 390.443 3.913 50 50 GHGA O=C(CCl)NCc1ccc(CNC(=O)c2csc3ccccc23)c(F)c1 1875384695 UWJBFQPWWNAVBB-UHFFFAOYSA-N 390.867 3.825 50 50 GHGA O=C(N/N=C/c1ccccn1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 5018471 POWGIOQAIXUOEA-PWZMWRAFSA-N 396.450 3.559 50 50 GHGA CCn1c(SCC(=O)N/N=C/c2sccc2C)nnc1-c1ccccc1 863920 FKVVBVNJRYMDFQ-YBFXNURJSA-N 385.518 3.577 50 50 GHGA COc1ccc(CC(=O)N/N=C(\C)c2ccc(NC(=O)C3CCC3)cc2)cc1 5516935 NVIBNZZFUZSAFW-BUVRLJJBSA-N 379.460 3.517 50 50 GHGA COc1ccc(Br)cc1/C=C(/C#N)S(=O)(=O)c1ccccc1 33850294 UVVGEJYJPCIPMZ-GDNBJRDFSA-N 378.247 3.796 50 50 GHGA Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1 1095166 GIDZKYMKDLJAMI-FVECTHPASA-N 383.879 3.950 50 50 GHGA Cc1ccc(S[C@@H](C)C(=O)N(C)C2CCC(NC(=O)CCl)CC2)cc1 1875383905 GUVRRDRMEAESTB-FHERZECASA-N 382.957 3.600 50 50 GHGA CCN(CC)c1ccc(/C=N\NC(=O)c2cccc(Br)c2)c(O)c1 15636183 IVHMLVDGGGXOTD-NDENLUEZSA-N 390.281 3.765 50 50 GHGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 9088831 DRORPXYWBZETIE-MFKUBSTISA-N 397.438 3.815 50 50 GHGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 13788044 VKJGNZOHSHVCOG-YBFXNURJSA-N 386.458 3.837 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@H]1c1ccc(O)cc1 4167420 SJNPAWCLCGUVMJ-KGLSSGQOSA-N 388.471 3.801 50 50 GHGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(Br)c1 1231698 DWHGRSIKNSMVBN-KRWDZBQOSA-N 388.240 3.872 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccnc1 4210280 JNDZZAFGIPAQOP-FSJBWODESA-N 379.803 3.718 50 50 GHGA CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cccc2ccccc12 4997556 QUAANMSPQXJTSD-OEAKJJBVSA-N 378.428 3.776 50 50 GHGA C[C@H]1CCc2cc(C(=O)NNC(=S)NCc3ccc(Cl)cc3)sc2C1 5061022 WUYFYXZZVVYNNL-NSHDSACASA-N 393.965 3.835 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)c(OC)c1 5402680 LTSRHWWIXUIYDC-OGMQXUJQSA-N 376.416 3.523 50 50 GHGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1O 653869 GMAYDOLBYGFOLS-VXLYETTFSA-N 387.486 3.643 50 50 GHGA C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 4541089 WWCJVUWSGKIKIW-INIZCTEOSA-N 386.839 3.553 50 50 GHGA COC(=O)c1cc(-c2ccc(/C=C(\C#N)c3n[nH]c(N)c3C#N)o2)ccc1Cl 5033511 FXNCVYKHUYQPKV-IZZDOVSWSA-N 393.790 3.628 50 50 GHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 5072718 CZHDWTGQIMDEQO-HZHRSRAPSA-N 391.475 3.695 50 50 GHGA CCCNC(=S)NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 6880125 KSMGPARVYJQPML-UHFFFAOYSA-N 389.521 3.809 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)c1 5125802 OQNBMJRRXVMEJC-WSDLNYQXSA-N 398.850 3.901 50 50 GHGA O=C(N/N=C/c1cccc(Br)c1)c1n[nH]c2c1CCc1ccccc1-2 5403201 REKRZSJJCOYIGT-SRZZPIQSSA-N 395.260 3.702 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C1CCCCC1 1875384194 LVMLKKRRDINVNY-UZLBHIALSA-N 390.955 3.602 50 50 GHGA COc1cc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc(OC)c1OC 4209990 KVTIWQZDZPUQDF-SSDVNMTOSA-N 399.834 3.678 50 50 GHGA CO[C@@H](/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@H]1CCOC1 1875266161 DLAAJJDVIIIQKD-GGANCUKSSA-N 395.484 3.730 50 50 GHGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1 1213696 NPKRCLYBHMOKHG-LNOXHEFASA-N 376.840 3.665 50 50 GHGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 5093669 IPFLTMIOSCSLAU-RSKNOSGTSA-N 391.265 3.780 50 50 GHGA O=C(CCl)NC1(CNC(=O)c2coc(C3CCCCC3)n2)CCCCC1 1875384414 OMBFWVXAXCZYOD-UHFFFAOYSA-N 381.904 3.510 50 50 GHGA O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(O)c(O)c1 1190419 MCPFIOOZUBEUBC-SRZZPIQSSA-N 399.244 3.706 50 50 GHGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 8969887 PSWDZFHPTVTIKU-HNNXBMFYSA-N 395.459 3.845 50 50 GHGA CCOc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2C)cc1OCC 2854966 FRWZGMMKPWWBIS-UHFFFAOYSA-N 391.855 3.912 50 50 GHGA O=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 694979 JZAGYXGFKNEQHT-UFFVCSGVSA-N 389.242 3.708 50 50 GHGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc2ccccc12 2892362 DKFCMFXZMVTUSL-CIAFOILYSA-N 396.244 3.691 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1 5402642 HLLZETWKNWSMCZ-HZHRSRAPSA-N 391.475 3.695 50 50 GHGA Cc1cc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2F)cc(C)c1Cl 1117532 KNSWIKBFSBLVPB-NSHDSACASA-N 397.809 3.855 50 50 GHGA CCOCCCNC(=O)/C(C#N)=C\c1cc(C)c(OCc2ccccn2)c(C)c1 207243980 MMOUTSREBNMDKJ-ZHZULCJRSA-N 393.487 3.727 50 50 GHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1[C@@H]2CCCC[C@@H]12 2756110 RVJPGVKAOILTNG-CHWSQXEVSA-N 385.291 3.736 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1OC 6786778 NKECWCMPZSQSAV-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA C/C(=N\OCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1 5033844 SERUUALHBAMZAO-ISUCCWLISA-N 386.260 3.651 50 50 GHGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210427 AFMWTROKRWCZCG-OZMUZMBDSA-N 384.435 3.998 50 50 GHGA CC[C@@H](Sc1ccccc1)C(=O)N1CCC(CC)(NC(=O)CCl)CC1 1875384701 UWWDXJAXVZQMJZ-MRXNPFEDSA-N 382.957 3.684 50 50 GHGA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=N/NC(N)=O)CC[C@H]32)C1 253497476 CDZFBBLHHNZLCF-HTJYZTGCSA-N 387.524 3.905 50 50 GHGA O=C(CCl)N(Cc1cccc2c1CCOC2)C[C@@H]1CCOC2(CCC2)C1 1875374120 BFWADURLPVJGBL-MRXNPFEDSA-N 377.912 3.676 50 50 GHGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229144 JKGLTKULBSNMKM-ZVHZXABRSA-N 384.439 3.700 50 50 GHGA COc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 4366425 VGFAXVJPBZFUGD-BUVRLJJBSA-N 390.439 3.803 50 50 GHGA CC(C)(C)[Si](C)(C)OCCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1 169748352 LIPGTGXBESLEMO-UHFFFAOYSA-N 375.519 3.712 50 50 GHGA CC1(C)OB(c2ccc(OC(F)(F)F)cc2CBr)OC1(C)C 169807468 CJXUOEJTOXQAMB-UHFFFAOYSA-N 380.997 3.779 50 50 GHGA in-vitro CC(C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)c(Br)c1 1298619 BCDWVTVFXMZUAF-UHFFFAOYSA-N 397.313 3.679 50 50 GHGA COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 2697907 OUVYAEQFCQWWAG-HXUWFJFHSA-N 376.412 3.520 50 50 GHGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1cccnc1 5020156 BLGZNTUSZPZBSW-OAQYLSRUSA-N 389.480 3.983 50 50 GHGA CCN1CCC(=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)CC1 55054024 XAIQXQHRPRCYCR-UHFFFAOYSA-N 388.471 3.809 50 50 GHGA Cn1c(C(Br)Br)c(Cl)c(=O)n1-c1ccccc1 1857795317 QIEWTMRBZGWZRC-UHFFFAOYSA-N 380.467 3.618 50 50 GHGA O=C(C[C@H]1CCCCCC1(F)F)NC[C@H](NC(=O)CCl)c1ccccc1 1875384728 VQYBISRTIKMHQJ-CVEARBPZSA-N 386.870 3.805 50 50 GHGA C[C@@H]1CCCC[C@@H]1OCCN(Cc1nn(C)c2ccccc12)C(=O)CCl 1875384942 YWGYKWPOMSVVPB-BEFAXECRSA-N 377.916 3.736 50 50 GHGA CC(=O)N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 5631768 PUTWNIBQWAVNOG-LVZFUZTISA-N 388.290 3.920 50 50 GHGA COc1ccc(-c2cncc(C(=O)NNc3ncnc4ccsc34)c2)cc1 766678041 DUZIOSQTVGIRPH-UHFFFAOYSA-N 377.429 3.519 50 50 GHGA O=C(CCl)NC1CC2(CCCCN2C(=O)[C@H](Cc2ccccc2)C2CC2)C1 1875383290 NRFHXTLMCSKLBP-GSVIPDFHSA-N 388.939 3.524 50 50 GHGA COc1ccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(Cl)cc2)cc1OC 4631374 MPMHZVQGQJEHKZ-JJFYIABZSA-N 384.823 3.511 50 50 GHGA O=C(O)CCSSCCNC(=O)c1ccc(O)c(-c2ccccc2)c1 1875388427 ASIKYUUWCOZRSY-UHFFFAOYSA-N 377.487 3.645 50 50 GHGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12 2383766 JDVUQNVSROIZDF-WYMPLXKRSA-N 385.345 3.947 50 50 GHGA COc1ccc(C(=O)N/N=C/c2cc3cccc(C)c3nc2Cl)cc1OC 1206706 POHGZSFNDNYQMF-SSDVNMTOSA-N 383.835 3.978 50 50 GHGA CCCCc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2873343 VTBVGJBYXCJMOR-BUVRLJJBSA-N 389.455 3.977 50 50 GHGA Cc1ccc2cc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])c(Cl)nc2c1 5795831 BILAKFVCWOYPEN-UFFVCSGVSA-N 398.806 3.634 50 50 GHGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)[C@@H]1COc2ccccc2O1 805089 YAYLBVCSADUATD-QKXOWGBTSA-N 382.803 3.890 50 50 GHGA CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C(=O)OC(C)C)c1C 950498 GWMQDCQNMWYRSY-UHFFFAOYSA-N 382.265 3.541 50 50 GHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@H]2C1 33936215 VZUGOUCWQLUUNX-HNAYVOBHSA-N 395.869 3.613 50 50 GHGA CC(=O)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 169834919 MFXNBURURWOKBZ-UGKGYDQZSA-N 398.575 3.631 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(CN2CCCCCC2)cs1 4751292 JPSLYJHUBCUHPR-LJQANCHMSA-N 383.517 3.939 50 50 GHGA COc1ccc(/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1225966 UZTQTWPYKRRKIP-LSDHQDQOSA-N 375.384 3.786 50 50 GHGA N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)S(=O)(=O)c1ccccc1 2853695 HBCBMOVCSKYOJG-QGOAFFKASA-N 379.393 3.837 50 50 GHGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1 4366216 FVAFDZHGKSJIFQ-HIQXPHMNSA-N 390.439 3.889 50 50 GHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1 9013916 VEUZLHUENJYJDO-OEAKJJBVSA-N 384.443 3.643 50 50 GHGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 1469133 KZSIHYLQEGXVQN-LPYMAVHISA-N 391.431 3.947 50 50 GHGA C=CCOc1c(I)cc(C=C(C#N)C#N)cc1OCC 220954918 QPGVCEBIOZCGMX-UHFFFAOYSA-N 380.185 3.685 50 50 GHGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1n[nH]c2c1CCc1ccccc1-2 6554214 ONWXTVAKMDFXJW-BHGWPJFGSA-N 384.361 3.958 50 50 GHGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 4957804 ZCWRCVQZAVHIFI-ZRBLBEILSA-N 396.490 3.944 50 50 GHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 1875383970 HXXAYBCPOHKGKY-MGPUTAFESA-N 384.907 3.524 50 50 GHGA CCc1noc(CC)c1CN(Cc1ccc2c(c1)CCCO2)C(=O)CCl 1875383765 DPPVIAUWGIMIBG-UHFFFAOYSA-N 376.884 3.892 50 50 GHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(C)c3)c2)cc1 2542656 KJBLPRPTAIEOFI-BUVRLJJBSA-N 388.423 3.987 50 50 GHGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2 19924408 HUXVJDFECNKZAR-PJJXVYKHSA-N 392.484 3.643 50 50 GHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 1022595 ATHNKHRIOIAATR-FQEVSTJZSA-N 386.411 3.900 50 50 GHGA CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15012364 YCYPGKRZUJOFOG-PTNGSMBKSA-N 384.819 3.828 50 50 GHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1 705978 YACYVROWPFICND-HXUWFJFHSA-N 376.412 3.520 50 50 GHGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2cccs2)n[nH]1 6188231 DWTFIRBEXOHTPI-RQZCQDPDSA-N 375.251 3.665 50 50 GHGA Cc1cc(I)ccc1NCC(=O)N/N=C1/CCCC[C@H]1C 32492079 VUZWCBUMUJHTCS-QNPMFDGYSA-N 399.276 3.694 50 50 GHGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 8969889 PSWDZFHPTVTIKU-OAHLLOKOSA-N 395.459 3.845 50 50 GHGA CC(C)C(=O)Nc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799746327 GSPKZDJLFBQQND-UHFFFAOYSA-N 390.365 3.928 50 50 GHGA CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)C)cc1 2867185 NVGYWHGUOHOMLY-KRWDZBQOSA-N 398.503 3.929 50 50 GHGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229185 ACOXGLZOADOQBF-LZCVXGSNSA-N 385.423 3.599 50 50 GHGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4326749 FCEFMSURKBXUQN-MFKUBSTISA-N 387.439 3.667 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 9089106 ZHSOVFYEQVAMAN-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA N#CC1(c2ccc(CN(C[C@H]3COc4ccccc43)C(=O)CCl)cc2)CC1 1875384565 SSZNNBUCEVCVRN-KRWDZBQOSA-N 380.875 3.985 50 50 GHGA O=C(NNC(=S)Nc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5041651 XBBILSHXBRTDOO-UHFFFAOYSA-N 378.929 3.809 50 50 GHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1OC 4168882 LVWMUUZNZSIMDT-INIZCTEOSA-N 394.456 3.764 50 50 GHGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 1108202 IUFDNJBDJWTCNE-VXLYETTFSA-N 387.486 3.556 50 50 GHGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1O 5722712 ILBDULBZTAYOMF-DTVDJLOLSA-N 390.439 3.985 50 50 GHGA Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccccc3F)c1)C(C#N)=C(N)O2 1128398 WEKVFWSZZBEZRF-LJQANCHMSA-N 376.391 3.654 50 50 GHGA CSc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1 32614496 BOTKJGJJFPKQLX-YOYPMJMESA-N 378.453 3.852 50 50 GHGA Br[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1Br 100957682 RPHHTGJFIDZLLP-FBXFSONDSA-N 399.746 3.834 50 50 GHGA C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc(C)c1O 5102516 HOQNCFMUJSJSCX-WYMPLXKRSA-N 393.365 3.854 50 50 GHGA CN(CC(=O)N/N=C/[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1ccccc1 43193703 OSYYGPNLKKMAEE-HFMLIQQESA-N 376.287 3.812 50 50 GHGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 16789637 YNSDZLNRDPVYEV-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA COc1ccc(/C=N/NC(=O)c2sccc2C)cc1Cn1nc(C)cc1C 676289 VOOGXAIGGCDCBV-SRZZPIQSSA-N 382.489 3.691 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 5297585 BVXIBAXSSSNEBW-RGVLZGJSSA-N 383.249 3.912 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 842459 KUMBKGJQFRFXJV-HYARGMPZSA-N 389.367 3.578 50 50 GHGA CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)[C@H]1C(=O)c2ccccc2C(=O)[C@@H]1Cl 100721917 QAYXHDRQVUEBDA-RCCFBDPRSA-N 397.858 3.750 50 50 GHGA CC(/C=C/c1ccccc1)=NNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C 245240621 QTHLLAHIELNVIA-IVBIPYPVSA-N 394.431 3.827 50 50 GHGA C[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1CCNC(=O)CCl 1875383659 BSAQDJQBZISAOV-OXJNMPFZSA-N 386.923 3.755 50 50 GHGA CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2938638 NJDZCCJYUBNBMK-KBXCAEBGSA-N 386.404 3.841 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 6564560 KKJYOVZQOLFRCV-BUVRLJJBSA-N 387.487 3.785 50 50 GHGA COc1cccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)c1 13154655 OMSMEYFZBVXLBM-YDZHTSKRSA-N 378.476 3.650 50 50 GHGA N=C1N=C(c2ccccc2)N[C@]1(NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 1775976401 RCRYOUUQIUTPAR-KRWDZBQOSA-N 395.677 3.597 50 50 GHGA O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2ccc(F)cc2)cc1F 137185555 WUZZMHFVVYPDJQ-UHFFFAOYSA-N 392.365 3.625 50 50 GHGA O=C(C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 17376670 HVBTZDOCHOTHDH-OAQYLSRUSA-N 378.364 3.727 50 50 GHGA CC(C)[C@H](CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2)NC(=O)CCl 1875384076 KZYSPHUSLQQTSC-HIFRSBDPSA-N 384.973 3.715 50 50 GHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)c1 17079270 UOMZTGXDHKTCRI-MHWRWJLKSA-N 388.427 3.948 50 50 GHGA C/C(=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1ccc(C)o1 5015958 JDBDDPZCMWSZDW-HGYKRRIKSA-N 387.439 3.899 50 50 GHGA Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C1\CC(=O)CC(C)(C)C1 100009431 HLEQQPKHYKTFEM-LPYMAVHISA-N 377.872 3.619 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1O 1468501 AAASMMJOYMMHMI-WSDLNYQXSA-N 380.835 3.928 50 50 GHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(O)c1 668280 JBEXDZZMJWIWEL-UDWIEESQSA-N 390.281 3.765 50 50 GHGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1 1207990 WXIVWRVQSNWKGW-MFKUBSTISA-N 397.438 3.707 50 50 GHGA COc1ccc2cc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c(Cl)nc2c1 1206395 XAUDCDWRAFBQJI-SSDVNMTOSA-N 399.834 3.678 50 50 GHGA CC(C)(N=NC(C)(C)C(=O)NN=C1CCCCC1)C(=O)NN=C1CCCCC1 254635191 YCBOLFUMOJMSEC-UHFFFAOYSA-N 390.532 3.868 50 50 GHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1Br 752616 YRQQZCWPLABILS-FVMDXXJSSA-N 389.249 3.518 50 50 GHGA C[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1CCNC(=O)CCl 1875383660 BSAQDJQBZISAOV-OXQOHEQNSA-N 386.923 3.755 50 50 GHGA COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1O 1233845 XWVRLUYDMSGDIJ-UVPCLOGWSA-N 386.451 3.857 50 50 GHGA CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)[C@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 5711426 QAYXHDRQVUEBDA-KSZLIROESA-N 397.858 3.750 50 50 GHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 8462864 SSCZVJRSVZVJEI-HYARGMPZSA-N 378.432 3.638 50 50 GHGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)c(OC)c3)[nH]n2)cc1 8970558 QUHXLQAKJNPALW-LPYMAVHISA-N 378.432 3.507 50 50 GHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1n[nH]c2c1CCc1ccccc1-2 5126169 KRDDSRVCYVCXMM-UFFVCSGVSA-N 395.806 3.501 50 50 GHGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 671730 FLQPFINLOAYBGJ-HYARGMPZSA-N 375.384 3.938 50 50 GHGA COc1cccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c1 1197902 SYTJOCKYVHJUKK-XQNSMLJCSA-N 376.412 3.629 50 50 GHGA COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(OC)c1OC(C)=O 4453826 FTKQOUVNAJPCHJ-OVCLIPMQSA-N 377.400 3.878 50 50 GHGA CCCOc1cccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)cc2)c1 6399805 YVOFYFCQHXZMGK-OEAKJJBVSA-N 378.432 3.638 50 50 GHGA N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccccc2)N1c1ccccc1 1159665 TYHNIBAOPZVYIU-QOCHGBHMSA-N 389.480 3.832 50 50 GHGA N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 4182366 JRQZMKYTKIVKIU-GOSISDBHSA-N 392.440 3.961 50 50 GHGA Nc1c(Br)cc(Br)cc1C(=O)NN=C1CCCCC1 4231487 DDEISDWLGLEAMT-UHFFFAOYSA-N 389.091 3.844 50 50 GHGA O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 2857101 KFFNXYQRDPQLSS-UHFFFAOYSA-N 376.372 3.728 50 50 GHGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1CC 945970 GZRFOHSRRKIGRW-FYJGNVAPSA-N 382.489 3.697 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)c1O 5353197 FOTSTMUZXVKTOE-OHHQFBAHSA-N 380.492 3.759 50 50 GHGA CC(C)c1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(C(C)C)c1O 5498510 AWJVMDKFXDHMOP-SSDVNMTOSA-N 379.464 3.534 50 50 GHGA CCCC1(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)OC(=O)[C@H]12 252584854 DHVBBAMFXDEZTQ-OHVSQDCRSA-N 378.466 3.752 50 50 GHGA COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(Br)c2)cc1 5101482 WEQOVEHVCPDVOG-YBFXNURJSA-N 377.238 3.620 50 50 GHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)c1 5297317 YXNGYDSCNWKCPH-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n(-c2ccccc2)n1 1512647 KFWXLTRTBRTHAF-YDZHTSKRSA-N 390.443 3.662 50 50 GHGA O=C(N/N=C/c1ccccc1)c1cc(Br)cc(Br)c1O 1228285 OHNAXUXIJKWQLU-CAOOACKPSA-N 398.054 3.681 50 50 GHGA O=C(NNc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 170626278 DPYKKVANQQPQPG-STQMWFEESA-N 390.777 3.915 50 50 GHGA COc1cc(OC)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 628658 WLWLGBOQURBNPS-FQEVSTJZSA-N 382.460 3.840 50 50 GHGA O=C(COc1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12 55028133 KBTAARPSLMHDLJ-NHDPSOOVSA-N 399.244 3.837 50 50 GHGA CC(C)[C@@H](CCN(C)C(=O)c1cc(Cl)c(Cl)s1)NC(=O)CCl 1875384853 XPTKHXFNXFGSGU-SNVBAGLBSA-N 385.744 3.897 50 50 GHGA O=C(NNC(=S)NC1CCCCC1)c1ccc(OCc2ccccc2)cc1 15874760 QNGIIYSLZMRCCQ-UHFFFAOYSA-N 383.517 3.707 50 50 GHGA CCOc1ccc(NC(=S)NNC(=O)c2cc(C)nc3c(C)cccc23)cc1 6630946 UUDMJCDTQJHHNE-UHFFFAOYSA-N 394.500 3.882 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1OC 8462580 RJJOCCIHQSKLKE-DJKKODMXSA-N 390.852 3.573 50 50 GHGA CCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1OCC 6636321 GZXXUMIWCOKRBX-HYARGMPZSA-N 386.448 3.655 50 50 GHGA Cc1cc(CCCC(=O)N2CC[C@H](C)[C@H](CNC(=O)CCl)C2)c(C)s1 1875384528 RZPKMAQEZOIXCH-SUMWQHHRSA-N 384.973 3.527 50 50 GHGA Cc1occc1C(=O)NNC(=S)Nc1ccc(Br)cc1Cl 2857949 GHOFAKQHXNVXJU-UHFFFAOYSA-N 388.674 3.635 50 50 GHGA Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccccc3F)c1)C(C#N)=C(N)O2 1128399 WEKVFWSZZBEZRF-IBGZPJMESA-N 376.391 3.654 50 50 GHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccnc1 2565283 JRNFGBICDXKBFA-FSJBWODESA-N 379.803 3.718 50 50 GHGA O=C(N/N=C/c1ccc(F)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2940314 PUCBKEJWWPEBIT-KAVVDJPUSA-N 393.443 3.808 50 50 GHGA COc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 5662166 ZIRDTOMLXKOSQB-SRZZPIQSSA-N 394.258 3.871 50 50 GHGA c1ccc([P+](CCC2O[C@@H]3C[C@H]3O2)(c2ccccc2)c2ccccc2)cc1 100700843 WDHNBUIBCONNPW-DHIUTWEWSA-N 375.428 3.884 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F 1427314 YSUVAFHUMQVVQB-MRXNPFEDSA-N 397.356 3.775 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)C[C@@H]2CCc3ccccc3C2)cc1 1875383979 IHFAUYJFOUZZOC-SJLPKXTDSA-N 398.934 3.914 50 50 GHGA COC(=O)c1ccc(/C=N/NC(=O)CCSc2nc3ccccc3s2)cc1 1241799 NVORSUIETHVISC-UDWIEESQSA-N 399.497 3.715 50 50 GHGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(F)cc1 4229819 YCJRPYUKGYYODP-OEAKJJBVSA-N 377.375 3.707 50 50 GHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c[nH]c2ccc(Br)cc12 623066 AITRFAZQHVRXMC-INIZCTEOSA-N 384.233 3.745 50 50 GHGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN=Cc1ccc(Br)o1 238924295 RSYAWOFWHQVIKL-SNVBAGLBSA-N 385.645 3.922 50 50 GHGA CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)cs2)C(C#N)=C(N)O1 752450 FDCKMDVNSYYCSZ-ZDUSSCGKSA-N 397.294 3.936 50 50 GHGA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC/C(=N\NC(N)=O)[C@@]4(C)CC[C@H]32)C1 252693319 CDZFBBLHHNZLCF-FVJOGNKVSA-N 387.524 3.905 50 50 GHGA COc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1O 1233864 AEWTXVRCILDJLB-KXWHUPIZSA-N 386.451 3.857 50 50 GHGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 4302668 GWZMBXZDZFJNET-HZHRSRAPSA-N 389.411 3.576 50 50 GHGA C=CCc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)c1O 2521758 KFPURECOVCAWEL-UFFVCSGVSA-N 379.243 3.957 50 50 GHGA C[C@]12CCN(Cc3cc(C#N)ccc3Br)C[C@H]1[C@H]2Br 2325726765 FNBYDJRQEKXHTL-CFVMTHIKSA-N 384.115 3.926 50 50 GHGA CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(C(C)C)cc1C(C)C 225852033 YHAWIHGLMHYBLD-UHFFFAOYSA-N 379.501 3.875 50 50 GHGA COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 1233600 GEMDAPBGHCZWBC-VXLYETTFSA-N 393.306 3.841 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccco3)[nH]n2)cc1OC 5317528 ZQSYCCIILANYHY-RBRSTPIHSA-N 380.404 3.506 50 50 GHGA COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2969466 HALXUFOBIPRQDE-UKTHLTGXSA-N 389.795 3.568 50 50 GHGA O=C(CCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 25758399 NYYGHPIEMYUHCN-CITFMLQJSA-N 388.471 3.788 50 50 GHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 4302508 KRWGJEXDLRJMNG-BUVRLJJBSA-N 387.439 3.663 50 50 GHGA C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 4541090 WWCJVUWSGKIKIW-MRXNPFEDSA-N 386.839 3.553 50 50 GHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Br 625997 BLFPNXIXUPFMIC-OAHLLOKOSA-N 395.212 3.774 50 50 GHGA biogenic,in-vitro COc1ccc(C)cc1NC(=S)NNC(=O)CSCc1ccccc1C 6400504 IPWGMDBCCFEHAR-UHFFFAOYSA-N 389.546 3.563 50 50 GHGA Cc1nn(C)cc1/C=N/NC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 6527219 QCZGZUKSJKGARI-DGSAEOIUSA-N 392.507 3.665 50 50 GHGA CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 3147322 AZVANBOSZAQRBY-HMHKGCENSA-N 391.265 3.765 50 50 GHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)c1O 867852 DYGNSLNUIXGEHU-LPYMAVHISA-N 378.432 3.507 50 50 GHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cl)cc(Cl)c1OC 625343 NCWBZUNVMCNPTL-AWEZNQCLSA-N 383.231 3.647 50 50 GHGA CC(C)[C@@H](CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2)NC(=O)CCl 1875384074 KZYSPHUSLQQTSC-DZGCQCFKSA-N 384.973 3.715 50 50 GHGA COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 1202154 DEPMQUBFSNOPDF-CIAFOILYSA-N 395.371 3.539 50 50 GHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)N/N=C/c1cccc2ccccc12 1684676 KPYCHFOQJHKCSM-RYQLWAFASA-N 394.434 3.593 50 50 GHGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 8361840 ZEOLAPAZJYTXPU-FYJGNVAPSA-N 382.489 3.605 50 50 GHGA O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1cccnc1 1209183 LKCWOZURKVEEPL-FSJBWODESA-N 379.803 3.718 50 50 GHGA COc1ccc2cc(OCC(=O)NNC(=O)Nc3cccc(C)c3C)ccc2c1 5060653 LJNZOTOGVSKKDJ-UHFFFAOYSA-N 393.443 3.697 50 50 GHGA CC(/C=C/c1ccccc1)=NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 245239321 HSIGJDYJNCDQIJ-ALUGPRJJSA-N 375.350 3.849 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690757 NSDNWJXIHBOPHZ-XMSQKQJNSA-N 384.483 3.657 50 50 GHGA Cc1ccc(CSCC(=O)NNC(=S)NCc2ccc(Cl)cc2)cc1 6788262 IBHSKBKUINOZGU-UHFFFAOYSA-N 393.965 3.577 50 50 GHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 4135917 IEHFYSHYCOPSOG-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)cs2)C(C#N)=C(N)O1 752449 FDCKMDVNSYYCSZ-CYBMUJFWSA-N 397.294 3.936 50 50 GHGA O=C(O)[C@@H]1C[C@H](Br)[C@@H](Br)C[C@@H]1Cc1ccccc1 101825232 AAALQQFPMTXRQS-RNJOBUHISA-N 376.088 3.867 50 50 GHGA Cc1cc(C)c([C@@H](CC(=NNC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 244899790 ZQEULMYYROGWOA-INIZCTEOSA-N 379.489 3.883 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 1426901 UPBZYBZRHLDHAL-MRXNPFEDSA-N 397.356 3.775 50 50 GHGA C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 1200921 FRIGQKRGLVXISB-FFAHCDIZSA-N 393.487 3.779 50 50 GHGA COc1cc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)ccc1O 9334903 AZMZRZJARRJBPD-YDZHTSKRSA-N 386.411 3.708 50 50 GHGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 13281419 SCVVABFWKRHNLD-OAQYLSRUSA-N 379.423 3.947 50 50 GHGA Cc1cc(Cl)ccc1OCC(=O)NNC(=S)Nc1ccc(Cl)cc1 2543365 DRXSEYORUHOXKM-UHFFFAOYSA-N 384.288 3.698 50 50 GHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4[C@H]2[C@@H]2[C@@H]5[C@H]4[C@@H]4[C@@H]3C=C[C@H]4[C@H]5C(=O)[C@H]21 248148749 FWRYDKHNELALTG-BWGZBYRSSA-N 382.576 3.561 50 50 GHGA Cc1ccc(-c2c(C(=O)NNC(=S)NCc3ccco3)csc2C)cc1 2855824 UEJNZBHRUWELSB-UHFFFAOYSA-N 385.514 3.934 50 50 GHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)C2CCc3ccccc3CC2)cc1 1875384952 ZDYMUYOOCRRBNL-MRXNPFEDSA-N 398.934 3.914 50 50 GHGA Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccs2)c1 1187592 ANWWDCRQYIWEPW-LPYMAVHISA-N 394.452 3.805 50 50 GHGA CC1(C)OB(c2ccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C 200407082 RHABNVLSYBCQCS-UHFFFAOYSA-N 384.197 3.505 50 50 GHGA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCBr 44125908 VECNQNHQXBOREN-UHFFFAOYSA-N 387.277 3.657 50 50 GHGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 18203297 JNBKLQMXSMWLMO-UHFFFAOYSA-N 392.418 3.988 50 50 GHGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 4709078 LOTXNGLBUIXLOC-SFHVURJKSA-N 392.440 3.961 50 50 GHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 989309 RJPKQEDERUZFEJ-HNNXBMFYSA-N 393.790 3.856 50 50 GHGA Cc1cccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)c1 1152135 VSCRLEZFYUFKLQ-HNNXBMFYSA-N 382.316 3.841 50 50 GHGA COc1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3)c2Cl)c1 17078212 QFDKOMMXAPWAEZ-WSDLNYQXSA-N 382.851 3.915 50 50 GHGA Cc1ccc(S(=O)(=O)OCCSSCCO[C@H]2CCCCO2)cc1 258839753 WJDBLPWPLQRBJB-INIZCTEOSA-N 392.564 3.625 50 50 GHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2OC)[nH]n1 4746360 GQAMUNOBVHAEIM-KIXIETAPSA-N 390.443 3.913 50 50 GHGA Cc1cc(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)c(C)s1 4978935 FJVCVDKSMDBCNP-MRXNPFEDSA-N 392.440 3.702 50 50 GHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 9110729 UFJJCRVBIWMLOJ-FYJGNVAPSA-N 393.403 3.538 50 50 GHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 1426900 UPBZYBZRHLDHAL-INIZCTEOSA-N 397.356 3.775 50 50 GHGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 17078783 CFXPIRULNSKVGN-UHFFFAOYSA-N 386.293 3.831 50 50 GHGA N#Cc1ccc(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 799749083 MDBDBOFMDOGUBF-UHFFFAOYSA-N 384.701 3.896 50 50 GHGA O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 2571019 MFAJCVBPQSRYLM-AFUMVMLFSA-N 377.419 3.967 50 50 GHGA CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4115136 UBXSLDUWDDHDDC-XNTDXEJSSA-N 377.400 3.578 50 50 GHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Br)n[nH]2)cc1 9329467 HVPJUFYKSGTRIJ-RGVLZGJSSA-N 399.248 3.612 50 50 GHGA CCNC(=O)N(Cc1ncc(C(F)(F)F)cc1Cl)NC(=O)OC(C)(C)C 263639912 OFIZNJHYJOYIRQ-UHFFFAOYSA-N 396.797 3.725 50 50 GHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1O 1228411 UEDVTPNLLDLVAL-KEBDBYFISA-N 385.217 3.777 50 50 GHGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 4366411 SJJMJIHRNNVOHD-UDWIEESQSA-N 389.249 3.543 50 50 GHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(Cl)cc1Cl 5344640 FASMTERBJPQYME-ODCIPOBUSA-N 384.650 3.527 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1210888 RGWSUHBMGXKGMW-JZKLSJHFSA-N 394.233 3.636 50 50 GHGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 16994823 IWODWDRHQQXRTK-SRZZPIQSSA-N 384.823 3.511 50 50 GHGA O=C(N/N=C/C=C/c1ccccc1)c1ccccc1I 4366235 CLJILHWHHBQZJG-PXYULHTISA-N 376.197 3.720 50 50 GHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 5125775 MRHLMDGPFMXUNA-KEBDBYFISA-N 399.248 3.617 50 50 GHGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccccc1 6503901 XFDWPFLVJLKBGX-UHFFFAOYSA-N 379.938 3.899 50 50 GHGA CCOC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 811493574 JKTGTFMJKSTDFD-UHFFFAOYSA-N 377.322 3.511 50 50 GHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1Br 752615 YRQQZCWPLABILS-ABKXIKBNSA-N 389.249 3.518 50 50 GHGA C#C[C@@H](O)C[C@H]1CC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833803 BCGNHEVRRVBNIV-PQNGQFLHSA-N 390.599 3.892 50 50 GHGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@@H](C)C(=O)O 4453049 XAVGNURUZYXXSR-LERPTODRSA-N 377.400 3.878 50 50 GHGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Br)s2)n[nH]1 5446495 AUMYTHWSUAVSND-QGMBQPNBSA-N 393.241 3.804 50 50 GHGA Cc1cc(Cl)c(C(=O)NCc2ccc(CNC(=O)CCl)cc2F)s1 1875384432 OYHWFWIJWSSAAU-UHFFFAOYSA-N 389.279 3.634 50 50 GHGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1 4355569 PGQDMYSPNSXCFA-XKSGRZMBSA-N 386.249 3.593 50 50 GHGA C/C(=N\NC(=O)c1ccccc1Br)c1ccc(-n2ccnc2)cc1 6650211 ZRCZYUMOSGTFGP-FYJGNVAPSA-N 383.249 3.789 50 50 GHGA O=C(CCl)NC[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)C1CCCCC1 1875384191 LVMLKKRRDINVNY-JXFKEZNVSA-N 390.955 3.602 50 50 GHGA Cc1cnc(CCN(CC2CCC(C(F)(F)F)CC2)C(=O)CCl)cn1 1875384722 VHRCZSKHXTWDTC-UHFFFAOYSA-N 377.838 3.764 50 50 GHGA C[C@]12CCN(Cc3cc(C#N)ccc3Br)C[C@@H]1[C@@H]2Br 2325726767 FNBYDJRQEKXHTL-SNPRPXQTSA-N 384.115 3.926 50 50 GHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2884634 WUWUFAQEGMXIDG-SFHVURJKSA-N 388.467 3.742 50 50 GHGA CN(C)c1ccc(/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 2990527 ZUVAELNPIHTFQI-XTQSDGFTSA-N 388.427 3.843 50 50 GHGA CCOc1ccc(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)cc1 17081624 UFPCLIBBVLTSRN-UZYVYHOESA-N 398.887 3.926 50 50 GHGA C[C@]1(c2ccc(C(=O)NCCSSCCC(=O)O)cc2)CC1(F)F 1875388804 QTECTMBYOZBXGF-OAHLLOKOSA-N 375.462 3.569 50 50 GHGA CCOc1ccc(/C=N/NC(=O)c2ccc(Br)s2)cc1OC 676256 HKYOYAJLEOSFLO-RQZCQDPDSA-N 383.267 3.682 50 50 GHGA COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1OC 4852186 OLNKPFKLGSULDA-OGMQXUJQSA-N 376.416 3.523 50 50 GHGA COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1O 3202323 QEXVLYBHEXVZHG-OEAKJJBVSA-N 376.412 3.597 50 50 GHGA CN(C)N1C(N)=C(C#N)[C@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O 1080069 WNDXVKKCXHZZRZ-MRXNPFEDSA-N 388.874 3.692 50 50 GHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)c1 6564949 RDXSSRAOOMTGFK-NTEUORMPSA-N 392.390 3.779 50 50 GHGA CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C 252445404 PMUGGBUBTGSEKO-IDGJCPANSA-N 399.535 3.906 50 50 GHGA O=C(N/N=C/c1c(Cl)nc(Cl)n1-c1ccc(Cl)cc1)c1ccncc1 1857799653 QSOMGXLHVIJCTN-ZVBGSRNCSA-N 394.649 3.991 50 50 GHGA O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccc(Br)o1 725043 HZBPXHNJTRUDCH-UHFFFAOYSA-N 388.265 3.592 50 50 GHGA O=C(N/N=C/c1ccc(Cl)cc1)c1cn2cc(Br)ccc2n1 35653602 QVMQHMKHQAMJRS-CNHKJKLMSA-N 377.629 3.514 50 50 GHGA CC(C)(CC(=O)NCC1(NC(=O)CCl)CCCCCC1)c1ccccc1 1875383859 FXJWZROHFXPZLN-UHFFFAOYSA-N 378.944 3.919 50 50 GHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 4481595 QALOODKJSFPMBF-VXLYETTFSA-N 382.203 3.821 50 50 GHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1O 5126083 NFITYQFPFRHHOZ-SRZZPIQSSA-N 384.823 3.598 50 50 GHGA CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CCC(NC(=O)CCl)CC1 1875383239 MDEQQKPYQRMGJG-HWMSQKFYSA-N 376.928 3.551 50 50 GHGA CC(/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)=C\c1ccccc1 12362144 GTQTXNLMQPYVBP-YHZNWYNJSA-N 375.388 3.804 50 50 GHGA Cc1c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)sc2ccccc12 1421854 PHGBENYNRHIURY-SFHVURJKSA-N 378.501 3.787 50 50 GHGA Cc1c(NC(=O)/C(C#N)=C\C=C\c2ccccc2)c(=O)n(-c2ccccc2)n1C 6253956 YMZWBEXBVLCSSP-VIVFWABWSA-N 384.439 3.586 50 50 GHGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(CCCO2)[C@@]2(CCCO2)[C@]2(CCCO2)C1=O 169834147 DOEINBZGFKVJJK-DBOLQNLKSA-N 396.600 3.997 50 50 GHGA O=C(NNc1nc(-c2cccnc2)no1)c1ccc(C2SCCCS2)cc1 728075592 JMZNXWCMKFXGPI-UHFFFAOYSA-N 399.501 3.757 50 50 GHGA