smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1ccc([N+](=O)[O-])cc1OCCCN1CCCCC1 1661276 KFQHHNCYUDBGGT-UHFFFAOYSA-N 289.335 2.721 30 40 CFEB CC(C)(O)C#C[C@@](C)(O)c1ccc2ccccc2c1 3159147 PKMKWLQRRFXCAG-QGZVFWFLSA-N 254.329 2.822 30 40 CFEB N#CCNC(=O)c1sc2ccccc2c1Cl 4559995 YPDVJFYBSSAQNS-UHFFFAOYSA-N 250.710 2.808 30 40 CFEB C=CCn1nnnc1NCc1c(OC)ccc2ccccc12 7601953 PPFCIJNHUUTELG-UHFFFAOYSA-N 295.346 2.633 30 40 CFEB N#Cc1ccnc(SCc2nnc(C3CC3)o2)c1 58151477 FOPOHYRPITVQHP-UHFFFAOYSA-N 258.306 2.506 30 40 CFEB C#CCN(Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1 58184869 MHFMKBIDAIAAHI-UHFFFAOYSA-N 296.345 2.560 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107313616 QAWFJGUUMFCWMJ-XDQVBPFNSA-N 263.385 2.614 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CSc1ccccc1F 6402223 IBZZFSCLLGVVJM-AWEZNQCLSA-N 280.368 2.972 30 40 CFEB C=CCCS(=O)(=O)N(CC(C)C)c1cccc(O)c1 95415693 PHXVMTJDBZYVSF-UHFFFAOYSA-N 283.393 2.761 30 40 CFEB O/N=C/c1cn(-c2ccccc2)nc1-c1ccncc1 6890419 MSHXVYBUFJIABD-LICLKQGHSA-N 264.288 2.742 30 40 CFEB OCC#CCSc1nnc(-c2ccc3ccccc3c2)o1 9614820 VMFZMRZGGGVTKR-UHFFFAOYSA-N 296.351 2.978 30 40 CFEB N#Cc1cnc(NCCOc2cccc3ccccc23)cn1 95941835 YGLCKFTXTNLMSD-UHFFFAOYSA-N 290.326 2.992 30 40 CFEB N#Cc1ccc2c(c1)N(C(=O)C[C@H]1C=CCCC1)CC(=O)N2 333873246 PUPYZHIDXJCNFQ-LBPRGKRZSA-N 295.342 2.590 30 40 CFEB CCCc1nnc(NCc2ccc(OC)c(C#N)c2)o1 96494343 ZIVWWCGADUXCHB-UHFFFAOYSA-N 272.308 2.514 30 40 CFEB C#CCOc1c(Br)cc(/C=N\O)cc1OCC 12729798 CKUSWORHPFXRBR-ZSOIEALJSA-N 298.136 2.668 30 40 CFEB C(=N\N1CCN(Cc2ccccc2)CC1)\c1cccs1 19771789 YVWDYPMRNJTENU-LGMDPLHJSA-N 285.416 2.900 30 40 CFEB CCc1ccc(C(=O)/C=C/[n+]2ccc(N(C)C)cc2)cc1 4276989 IBDLFBASDFVIHV-SDNWHVSQSA-N 281.379 2.956 30 40 CFEB COc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1OC 3603847 SLUUZUISDKAJST-UHFFFAOYSA-N 296.326 2.757 30 40 CFEB C=CCOc1c(Br)cc(CNC)cc1OC 6579006 FRCPPRLCDDQXSN-UHFFFAOYSA-N 286.169 2.742 30 40 CFEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1cccnc1 16607457 VSGOIZMIBDTKFM-LZNAANCOSA-N 278.315 2.823 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1c(C)noc1C(C)C 69373172 QSPNRZLBTHKNNN-SNVBAGLBSA-N 263.341 2.728 30 40 CFEB COc1ccnc(Nc2cccc([N+](=O)[O-])c2)c1C#N 1387781 WNBCBTQOJJXXLD-UHFFFAOYSA-N 270.248 2.614 30 40 CFEB COc1ccccc1C(=O)Oc1ccc(C#N)cc1 3562050 OUGMXEXLTZKKID-UHFFFAOYSA-N 253.257 2.786 30 40 CFEB CC(=O)Nc1cccc(CNCc2ccc(C#N)cc2)c1 48712773 JDYRYNJQKDRRSZ-UHFFFAOYSA-N 279.343 2.806 30 40 CFEB CCOc1ccc(C#N)cc1NCc1cc(C)on1 49066586 ZHESEYQGPVFVPA-UHFFFAOYSA-N 257.293 2.866 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 6043692 NNBJBNDXOTWWNP-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB CC(C)N(CCOc1ccc(C#N)cc1)C1CCOCC1 77323246 DOSCRDGYDKRKKW-UHFFFAOYSA-N 288.391 2.826 30 40 CFEB CC(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)CC[C@@]3(C)[C@@]1(C)[C@]21CO1 33897406 HNEGCRMUYSKRRR-JHMPBIJASA-N 292.375 2.611 30 40 CFEB CC1(C)CN(CCC#N)[C@H](c2ccc([N+](=O)[O-])cc2)O1 31669932 HLMWNKZIYMIAKL-ZDUSSCGKSA-N 275.308 2.618 30 40 CFEB COc1ccc(CCNc2ccc(N)cc2C#N)cc1OC 225498406 MTOTWHBSPFACAK-UHFFFAOYSA-N 297.358 2.812 30 40 CFEB C[C@H](Nc1cccc(NC(=O)CO)c1)c1ccc(C#N)cc1 96437061 WVDHEJYCIXFYAP-LBPRGKRZSA-N 295.342 2.662 30 40 CFEB C[C@@H]1C[C@@]2(C3CC3)O[C@H]2CN1C(=O)OC(C)(C)C 252495679 OVOINZNDAVIGKA-PUYPPJJSSA-N 253.342 2.563 30 40 CFEB Cc1ccc(CCCC(=O)N[C@]2(C#N)CCSC2)s1 79801202 YLPZSBRSLKEVNK-AWEZNQCLSA-N 294.445 2.895 30 40 CFEB COc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1O 7890702 IEKWSKAJLMLCFN-CXUHLZMHSA-N 286.287 2.545 30 40 CFEB Cc1ccc(C)c(-c2nc(N=C(N)N)sc2C)c1 58666738 SYRRKPZGLKEOET-UHFFFAOYSA-N 260.366 2.640 30 40 CFEB N#Cc1ccc(C(=O)OCCOC(=O)c2ccccc2)cc1 10022672 JKXVEJJQSGTHNO-UHFFFAOYSA-N 295.294 2.572 30 40 CFEB C=CCN(CC=C)C(=S)NC(=O)c1ccc(C)cc1 2136592 GXFXCMPNUGMGPG-UHFFFAOYSA-N 274.389 2.684 30 40 CFEB C/C(COC(=O)c1cc(C)nc2ccccc12)=N/O 104371960 DGXIQGNTVGUPOV-YBEGLDIGSA-N 258.277 2.550 30 40 CFEB CCOC(=O)CSc1nc(-c2cccnc2)ccc1C#N 12859923 WVPKEYQYFBTNPC-UHFFFAOYSA-N 299.355 2.670 30 40 CFEB CCc1cccc2c(/C=N/n3c(C)nnc3C)c[nH]c12 3430912 UGCFIXDNKLANHU-RQZCQDPDSA-N 267.336 2.821 30 40 CFEB C=CCN(C(=O)[C@@H]1CCCO1)c1nc2c(s1)CCCC2 65609905 HYOVPWFYDGURCW-LBPRGKRZSA-N 292.404 2.720 30 40 CFEB CCCN/C(=N/CC)NC[C@@H]1CCO[C@H]1c1ccccc1 95406381 HYFUKXBXIKIIOD-HOTGVXAUSA-N 289.423 2.729 30 40 CFEB C#CCOc1ccc([C@@H](C)NCC2CCN(C)CC2)cc1 95421888 MIQNDANVQFTQRK-OAHLLOKOSA-N 286.419 2.691 30 40 CFEB N#Cc1ccc(N[C@@H]2CCc3c(O)cccc32)cn1 91485239 WOJJPPQYOIKMTP-CQSZACIVSA-N 251.289 2.758 30 40 CFEB COc1ccc(CNC(=O)c2cccc(CC#N)c2)cc1C 69441473 DOXVBHJXVPTTHX-UHFFFAOYSA-N 294.354 3.000 30 40 CFEB N#Cc1cc(F)ccc1NC(=O)NCCc1ccc(O)cc1 95435747 RZMCTPJDVDXVKI-UHFFFAOYSA-N 299.305 2.767 30 40 CFEB CSc1nncn1/N=C/c1c(C)n(C)c2ccccc12 408808928 GVRVIGNACTXVSH-LZYBPNLTSA-N 285.376 2.682 30 40 CFEB Cc1ccnc(N2CCC[C@H]2[C@H]2CCCOC2)c1C#N 521867274 HDZWCVRJSSGWPF-ZFWWWQNUSA-N 271.364 2.657 30 40 CFEB COc1cc(C(C)=O)ccc1[S@@](=O)CCC(C)(C)C#N 123548226 UFKFYHXVWPKXQC-HXUWFJFHSA-N 293.388 2.945 30 40 CFEB CCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C#N 225791057 RPUIDSHEWPGOEB-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB CC(C)Cn1nc(Cc2ccc(F)cc2)c(C#N)c1N 225834489 QIROHBOKWIKUFJ-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB CCCS(=O)(=O)/N=C(\O)CCc1ccc(C)cc1C 96416186 JRXOJZPKZMWBDP-UHFFFAOYSA-N 283.393 2.932 30 40 CFEB N#CC1(C#N)[C@H](c2ccccc2)C=CC12OCCCO2 5812854 PICWVYBQSYUNDQ-AWEZNQCLSA-N 266.300 2.507 30 40 CFEB CC(=O)Nc1cccc(C(=O)OCc2cccc(C#N)c2)c1 5989776 ZKGRMSYSFYEYRW-UHFFFAOYSA-N 294.310 2.874 30 40 CFEB Cc1nc2ccccc2n1CCNc1ccc(C#N)cn1 12629088 JHFGZBTVHZBSLS-UHFFFAOYSA-N 277.331 2.724 30 40 CFEB Cc1ccc(CN2CCN(/N=C\c3ccncc3)CC2)cc1 19594608 CLYNIFOSFRKSSP-ZHZULCJRSA-N 294.402 2.542 30 40 CFEB O=[N+]([O-])c1cc(/C=N/c2nccs2)c2c(c1)COCO2 1063662 KBXFIFGBMRRVIH-LHHJGKSTSA-N 291.288 2.668 30 40 CFEB Cc1nn(CCC#N)c(C)c1Oc1ccccc1O 3243447 OIQRQFPNAWUWBX-UHFFFAOYSA-N 257.293 2.912 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(C)ccc2C)C(=O)O1 3549166 RUEBLLMGVZUQIU-FYCOFBDGSA-N 284.311 2.532 30 40 CFEB C#CCNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 40476428 HSMHNJZLEUERCT-UHFFFAOYSA-N 271.147 2.768 30 40 CFEB C[C@H](C#N)CN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107313619 QAWFJGUUMFCWMJ-ZOBORPQBSA-N 263.385 2.614 30 40 CFEB C=CCN(CC=C)C(=O)Nc1cccc(-c2nnco2)c1 44087500 KOQBDQHSHLUMKI-UHFFFAOYSA-N 284.319 2.943 30 40 CFEB S=C(N/N=C\c1cccs1)N/N=C\c1cccs1 8615983 NLVSQWCSDRRMRQ-AJDRMPRJSA-N 294.430 2.642 30 40 CFEB N#Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 36390539 AIVQCQDIMQVWDC-HNNXBMFYSA-N 299.305 2.552 30 40 CFEB COc1ccc(/N=C2/OC(=O)c3ccccc32)cc1 104252095 VAYDKYQRXSBABZ-JQIJEIRASA-N 253.257 2.944 30 40 CFEB CC(C)(C)c1cn2c([nH]1)c(C#N)c(=O)c1ccccc12 12536984 GHYRQEQGDBBIHQ-UHFFFAOYSA-N 265.316 2.950 30 40 CFEB C=C(C)CN(CC)C(=O)CN(C)Cc1ccccc1 48368018 YTMXEBHAZYYGGI-UHFFFAOYSA-N 260.381 2.543 30 40 CFEB C=C(C)CN1CCN(c2ccc(Br)cn2)CC1 65552471 OCDOQBZKSLEEKZ-UHFFFAOYSA-N 296.212 2.542 30 40 CFEB CO[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 71894450 JZIVTYBBYGLECA-GFCCVEGCSA-N 250.729 2.827 30 40 CFEB O=C(/N=C1/NCCS1)[C@H]1CCCC[C@@H]1C(F)(F)F 71800138 BANJZMBYTJTIOT-YUMQZZPRSA-N 280.315 2.574 30 40 CFEB N#Cc1ccc2c(c1)/C(=C/c1ccccc1[N+](=O)[O-])C(=O)N2 97035277 GUVLBCQOUGAPOT-JYRVWZFOSA-N 291.266 2.959 30 40 CFEB N#Cc1cc2ccccc2nc1NCCCO[C@@H]1CCOC1 95964994 KHJAZJLCAHBJPI-OAHLLOKOSA-N 297.358 2.714 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\c2ccc3c(c2)OCO3)c1O 409071505 PCSASUYTNMJQFC-CHHVJCJISA-N 286.243 2.780 30 40 CFEB CSc1ccc(O[C@H](C)C(=O)N(C)[C@H](C)CC#N)cc1 76992157 IZWGTQVICHXZID-VXGBXAGGSA-N 292.404 2.936 30 40 CFEB C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc(C#N)nc1 192653219 UKWQDBKFWHSGSS-CXAGYDPISA-N 279.343 2.920 30 40 CFEB N#Cc1ncn(-c2ccc(Br)c(F)c2)c1C#N 95915964 AWWFLUCZHYGLCM-UHFFFAOYSA-N 291.083 2.517 30 40 CFEB N#CC(F)(F)c1ccc(I)cc1 575444722 CQFVXJISBOPVEU-UHFFFAOYSA-N 279.027 2.907 30 40 CFEB CC(C)(C)OC(=O)n1cnc(C#C[Si](C)(C)C)c1 953101200 CTOYGSGMDSFRBG-UHFFFAOYSA-N 264.401 2.895 30 40 CFEB Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2ccccn2)o1 48540331 CJECDDUKNAPVJG-GWJCSSMESA-N 252.273 2.873 30 40 CFEB C#Cc1cccc(NCc2nc(-c3ccco3)no2)c1 40057097 ZYQLYTAICQELIH-UHFFFAOYSA-N 265.272 2.923 30 40 CFEB Cc1nc2ccccc2c(=O)n1/N=C/c1cccs1 3196721 USSSQOHMOGLSLA-OQLLNIDSSA-N 269.329 2.649 30 40 CFEB CC[C@](C)(C#N)NC(=O)Cc1c(F)cccc1Cl 40357499 GYYWXCJDPQDYSF-CYBMUJFWSA-N 268.719 2.830 30 40 CFEB COc1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1 244761 SCSMZPVPNHCXGU-LICLKQGHSA-N 254.289 2.545 30 40 CFEB Oc1ccc(/C=N/C[C@H]2OCCc3ccccc32)cc1O 506845 KAYUATZWFDHQMJ-HJSBDDGSSA-N 283.327 2.831 30 40 CFEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 5905235 NONRAQMABAHIBB-UKTHLTGXSA-N 274.773 2.650 30 40 CFEB COc1cc2c(OC)cc1CCC1=CC(=O)C=C(CC2)C1=O 1580032 GPESQZVFJWBJAV-UHFFFAOYSA-N 298.338 2.587 30 40 CFEB O=C(/C=C/NCCc1c[nH]c2ccccc12)C(F)(F)F 100405259 FKGVMUPVWRQQDT-SOFGYWHQSA-N 282.265 2.945 30 40 CFEB COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)c1 103504208 RSEBXSRYYCWGAZ-OAHLLOKOSA-N 294.310 2.656 30 40 CFEB CC1(C)CC(=O)c2cc3c(N)c(C#N)sc3nc2C1 1476117 SJOKWMLNHRWJHC-UHFFFAOYSA-N 271.345 2.905 30 40 CFEB N#Cc1ccccc1CN1CCN(c2ccccc2)CC1 57286396 MNWPCWHCPZVMQH-UHFFFAOYSA-N 277.371 2.880 30 40 CFEB C=CCN(CC=C)C(=O)NCc1c(C)cc(C)nc1OC 67471589 BXLDSKXJPVVAKU-UHFFFAOYSA-N 289.379 2.591 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)N(C)c1ccccc1 3374711 TZULFIUWLVKXOD-UHFFFAOYSA-N 296.326 2.609 30 40 CFEB CC1(C(=O)O)CCN(c2ccc(Cl)cc2C#N)CC1 62843643 QZCCRRUGFGJEHA-UHFFFAOYSA-N 278.739 2.903 30 40 CFEB in-vitro Cc1sc2ncn(Cc3cccc(C#N)c3)c(=O)c2c1C 6581448 KMWJANYJWCYYNV-UHFFFAOYSA-N 295.367 2.995 30 40 CFEB CCCCn1c(SCC#N)nc2ccccc2c1=O 6654261 JUEQDNRBWRCVRQ-UHFFFAOYSA-N 273.361 2.812 30 40 CFEB O=C1Nc2ccccc2/C1=N/N=C/c1c[nH]c2ccccc12 18192765 NBZYECDHJCQWAI-VXLYETTFSA-N 288.310 2.943 30 40 CFEB CN(Cc1nccs1)c1ccc([N+](=O)[O-])c(C#N)c1 97144994 VHFQFOOTQSLHPP-UHFFFAOYSA-N 274.305 2.559 30 40 CFEB C=CCN1C(=O)S/C(=C\Nc2ccc(OC)cc2)C1=O 36636239 NNDNZVUCLOHYOX-XFXZXTDPSA-N 290.344 2.830 30 40 CFEB CC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O 39843737 HQLGCHOOQWLIJP-UQDQQJHMSA-N 281.768 2.672 30 40 CFEB O=C(N[C@@H](Cc1ccccc1)[C@@H]1CO1)OCc1ccccc1 34405457 DURMMNMFHRIMJD-IRXDYDNUSA-N 297.354 2.923 30 40 CFEB C=C(C)CN(C)C(=O)c1ccc2[nH]c(OCC)nc2c1 225806338 MZKLEWWDNPSDDR-UHFFFAOYSA-N 273.336 2.610 30 40 CFEB CC(C)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 198089645 APMIKKRUGPNYON-UHFFFAOYSA-N 253.176 2.566 30 40 CFEB Cc1ccc(C(=O)N[C@H](C)CC#N)cc1Br 93204930 AOWRWUHFOAGUMF-SECBINFHSA-N 281.153 2.790 30 40 CFEB C=C1[C@@H]2[C@@H](C[C@H]1OC(C)=O)C(=C)CC[C@@H]1C(=C)C(=O)O[C@@H]21 253388712 GKMFOEIZCLMZDE-YIDVYQOGSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro Cc1ccc(F)cc1NS(=O)(=O)c1cccc(C#N)c1 6316534 CEWMUOYAXWNHDE-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB N#Cc1ccnc(OC[C@H]2CCCN(CC(F)(F)F)C2)c1 1776001248 HDGZSKHLINMYSE-LBPRGKRZSA-N 299.296 2.606 30 40 CFEB O=C(O)c1ccccc1C(=O)OCC1CCC(=NO)CC1 4963732 HRZFNOIBVMWZTO-UHFFFAOYSA-N 291.303 2.562 30 40 CFEB N#Cc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20739548 PLNLGFREJLFPHN-LBPRGKRZSA-N 270.317 2.706 30 40 CFEB C[C@@H]1CC(=O)C2=C(C1)N1CCc3ccccc3[C@@]1(C)CC2=O 518268 LIJVPONAUFDLFP-HXPMCKFVSA-N 295.382 2.986 30 40 CFEB biogenic Cc1cccn2cc(COC(=O)c3ccc(C#N)cc3)nc12 12743604 DYTUTSCMYDRDJF-UHFFFAOYSA-N 291.310 2.871 30 40 CFEB Cc1nnc(S[C@H](C)C#N)n1Cc1ccccc1 3411437 ZYPSIDPTGUESMT-SNVBAGLBSA-N 258.350 2.639 30 40 CFEB C#Cc1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1 12976068 ZQAYKZFMZRNFDI-UHFFFAOYSA-N 288.306 2.762 30 40 CFEB COc1ccc(/C=C/C(=O)c2cccnc2)cc1O 6338811 WVJQWYUOPRYSDU-GQCTYLIASA-N 255.273 2.692 30 40 CFEB CCn1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)c(C)n1 6490222 WAJJUUJVHBDXEA-XQRVVYSFSA-N 284.315 2.836 30 40 CFEB C[C@H](C#N)OC(=O)c1ccccc1NCc1ccco1 14901669 UHRICURFRIQIQM-LLVKDONJSA-N 270.288 2.961 30 40 CFEB C[C@@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2ncnn21 18197837 DMNHAIQKORFNEL-RKDXNWHRSA-N 286.360 2.727 30 40 CFEB C=CCn1cc(C(=O)Nc2c[nH]ccc2=O)c2ccccc21 84670743 MQWBLAWBJANESL-UHFFFAOYSA-N 293.326 2.768 30 40 CFEB CCCCCCCNC(=O)C(=O)NCc1ccc(F)cc1 408708386 YTKYIFGTPZTLAZ-UHFFFAOYSA-N 294.370 2.529 30 40 CFEB C=CCNC(=O)c1ccnc2c(Br)cccc12 72243420 HRYNQEHVECJRPI-UHFFFAOYSA-N 291.148 2.913 30 40 CFEB C[C@@H](C[S@@](C)=O)Nc1cc(C#N)ccc1C(F)(F)F 129616607 HJOFLQMIVBKMMS-RLBGWGEZSA-N 290.310 2.756 30 40 CFEB N#Cc1ccc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c(F)c1 74128190 WHEALJLKYKRDIX-HUUCEWRRSA-N 299.349 2.805 30 40 CFEB COc1ccc(Br)cc1/C(Cl)=N/O 217565229 WOVZQRXEFSCBRN-FLIBITNWSA-N 264.506 2.832 30 40 CFEB CC(C)(C)OC(=O)N1CC2(CCC(C#N)CC2)C1 96028783 GWUDSHDTYDQWHP-UHFFFAOYSA-N 250.342 2.937 30 40 CFEB N#Cc1cc2c(nc1SCC(=O)O)CCCCCC2 1295853 OACLTDATRCMMKT-UHFFFAOYSA-N 276.361 2.789 30 40 CFEB N#Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 12623083 PJDIBYLTYZMNHQ-UHFFFAOYSA-N 253.257 2.866 30 40 CFEB CC(C)(/C=N\O)SC(=S)NNc1ccccc1 5379378 QPOHOYZPWFNXEO-WQLSENKSSA-N 269.395 2.860 30 40 CFEB C[C@@H]1CCc2ccccc2N1CC(=O)N[C@@](C)(C#N)C1CC1 8780201 DHKHZVXTZANTDH-ACJLOTCBSA-N 297.402 2.636 30 40 CFEB C=CCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 47806846 MTXOBRNNEQOXTO-CHWSQXEVSA-N 289.379 2.608 30 40 CFEB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Cc1ccc(C#N)cc1 75147639 YYGIKKCEMYPPGE-BBRMVZONSA-N 270.376 2.994 30 40 CFEB CN(C(=O)c1ccccc1Br)C1(C#N)CCC1 89310218 PWFAPYZFBQWRBI-UHFFFAOYSA-N 293.164 2.967 30 40 CFEB N#Cc1ccc(/C=C/c2ccc(-n3cncn3)c(F)c2)nc1 44945140 RMUWMGSNXRZXBL-DAFODLJHSA-N 291.289 2.843 30 40 CFEB Cc1ccc(/C=N\S(=O)(=O)Cc2ccccc2)cc1 104201218 LEJCESJQUICURH-WJDWOHSUSA-N 273.357 2.944 30 40 CFEB Cc1nc(-c2ccc(CC(=O)N(C)CC#N)cc2)cs1 60294311 HZTWNOLBTJJPRP-UHFFFAOYSA-N 285.372 2.643 30 40 CFEB COc1ccc(CN(C)c2ncccc2C#N)cc1OC 12814580 KJVUNRBRRKFMNR-UHFFFAOYSA-N 283.331 2.607 30 40 CFEB C=CCN(Cc1ccccc1F)C(=O)Nc1nncs1 49357478 JPBSRRKJSGHADA-UHFFFAOYSA-N 292.339 2.897 30 40 CFEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccccc1 39853931 YSEXRQFWGOAFSW-VLGSPTGOSA-N 296.326 2.599 30 40 CFEB CN(Cc1ccccc1C(C)(C)C#N)C1(C(N)=O)CCCC1 93211762 PGBHGAWGIJFMEV-UHFFFAOYSA-N 299.418 2.718 30 40 CFEB C=CCOc1ccc(/C=N/Nc2ocnc2C#N)cc1OC 26533154 HMGUQBCRPLFPLG-GIJQJNRQSA-N 298.302 2.566 30 40 CFEB N#CCC1(COC(=O)c2cc3ccccc3oc2=O)CC1 96442794 NABZYSDCMYNHPD-UHFFFAOYSA-N 283.283 2.644 30 40 CFEB C=CCCC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 78998272 SIHPPWKSQJTKLE-XPTSAGLGSA-N 285.746 2.983 30 40 CFEB O=C(O)c1ccccc1/C=N\N=C/c1ccccc1O 16919780 MNGDXHQRYJWATO-CQRYCMKKSA-N 268.272 2.543 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]2(C)C=C(Cl)C1=O 5080594 UXASVZPBDIQODI-DVFYHVDRSA-N 280.751 2.986 30 40 CFEB COc1cccc(NC(=O)COc2ccc(C#N)cc2)c1 5868523 DPGDWPSSZKAABR-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB CN(C[C@H]1CCOC1)c1cc(Cl)ccc1C#N 79017285 VDXWGGYVXDDPFZ-SNVBAGLBSA-N 250.729 2.684 30 40 CFEB Cc1nnc(Oc2cccc(-c3nnco3)c2)c(C#N)c1C 40504596 BQZONASEHVGBIP-UHFFFAOYSA-N 293.286 2.807 30 40 CFEB C=CCNC(=O)NCCOc1ccc2ccccc2c1 32862551 SEFMULCTMSRLMM-UHFFFAOYSA-N 270.332 2.704 30 40 CFEB CCn1c(C)nnc1SCc1ccc(C#N)cc1 8730527 RVUDHLRLEAMNKZ-UHFFFAOYSA-N 258.350 2.770 30 40 CFEB C#CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 21903274 TWYJFXBBNWRDIV-MRVPVSSYSA-N 272.131 2.510 30 40 CFEB N#Cc1cccc(Oc2cccc(C#N)c2C#N)c1C#N 578728 PZHCLMWCPVBOLD-UHFFFAOYSA-N 270.251 2.966 30 40 CFEB Cc1nc2ccccc2c(=O)n1N=C1CCCCC1 545884 YBSQZBSSHJMWKA-UHFFFAOYSA-N 255.321 2.873 30 40 CFEB CN1CCN([C@H]2CC/C=C/CC/C=C/CC/C2=N/O)CC1 100976956 DXBHKGBDHJFKEM-HPVGLEINSA-N 291.439 2.899 30 40 CFEB CC(C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCO2 69417403 JGQRPBKBKUUQTK-KRWDZBQOSA-N 286.375 2.609 30 40 CFEB CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3894666 WPWSANGSIWAACK-YRNVUSSQSA-N 252.230 2.701 30 40 CFEB in-vitro C#CCN1C(=O)S/C(=C/c2ccc(OCC=C)cc2)C1=O 13897839 OYPMSDXIEZFXLT-SDNWHVSQSA-N 299.351 2.921 30 40 CFEB CCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C#N 5711493 HANFAZSIDNDVEI-UHFFFAOYSA-N 280.349 2.844 30 40 CFEB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Cc1ccc(C#N)cc1 75147635 YYGIKKCEMYPPGE-XJKSGUPXSA-N 270.376 2.994 30 40 CFEB C=CCN(CCc1ccccc1)C(=O)[C@H](C)n1ccnc1 68270222 NARMGTTUPZQPBQ-HNNXBMFYSA-N 283.375 2.701 30 40 CFEB CCn1nc(OCc2ccc(C)cc2C)c(C#N)c1N 225830244 FCTNJSFHXMBKES-UHFFFAOYSA-N 270.336 2.553 30 40 CFEB CN1CCC(Oc2nc3ccccc3cc2C#N)CC1 71390621 DFRRNNDGXUOXOT-UHFFFAOYSA-N 267.332 2.579 30 40 CFEB COC(=O)[C@@H]1O[C@@]1(C)c1ccc(Cl)cc1Cl 85657658 KVDMLLNFJWIQDE-ONGXEEELSA-N 261.104 2.780 30 40 CFEB C=CCN(C)C(=O)Nc1cccc(NC(=O)CC)c1 195571157 KQPUEFIZWPPMGQ-UHFFFAOYSA-N 261.325 2.685 30 40 CFEB CC1(C)OB(c2cnc(Oc3ccccc3)nc2)OC1(C)C 197449558 YNKBDEYACJKPHT-UHFFFAOYSA-N 298.151 2.568 30 40 CFEB CC(C)c1ocnc1C(=O)N(CCC#N)Cc1cccnc1 96425229 SNWRIVWVTXAVEJ-UHFFFAOYSA-N 298.346 2.749 30 40 CFEB N#CCN(CC#N)C(=O)CCSCC1CCCCC1 69702336 CJOMRHGCZMCTRH-UHFFFAOYSA-N 279.409 2.566 30 40 CFEB COC1=NCc2ccccc2[C@@]2(OC)C(C)(C)[C@]12C#N 5496381 ALMUTWXPWMCMAX-JKSUJKDBSA-N 270.332 2.637 30 40 CFEB CN/C(S)=N/N=C\c1ccc(Cl)cc1Cl 12416474 MVJAHJXLNMAHDT-ACAGNQJTSA-N 262.165 2.833 30 40 CFEB Cc1nc(C#N)c(C#N)n1Cc1csc(C(C)C)n1 155269022 JYQHCWOLALSWLH-UHFFFAOYSA-N 271.349 2.563 30 40 CFEB Cc1ccc(/C=N/NC(=N)N/N=C/c2ccc(C)cc2)cc1 1695653 GNXRPYNGMHPGPB-AYKLPDECSA-N 293.374 2.785 30 40 CFEB N#Cc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 151611 RLGGANYOHWLYDW-UHFFFAOYSA-N 286.331 2.922 30 40 CFEB C=CCc1c(O)ccc2nc3n(c(=O)c12)CCCCC3 20761983 NYOGAOMLDBVPKF-UHFFFAOYSA-N 270.332 2.557 30 40 CFEB biogenic Cc1ccc(-n2cnnc2S[C@@H](C)C#N)c(C)c1 36656337 CLFVAXHHRHOHGG-NSHDSACASA-N 258.350 2.888 30 40 CFEB C/C(=N\c1ccc(C)cc1N)c1c(O)cc(C)oc1=O 104237134 OBXLDDGCQPFWQD-LICLKQGHSA-N 272.304 2.685 30 40 CFEB COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CC=CCC2)c1 103503634 RAMCDEXEFFGLOM-WFASDCNBSA-N 298.342 2.699 30 40 CFEB O=C(OCC(F)(F)[C@H](F)C(F)(F)F)C(F)(F)F 103542515 ZYXBRTNLGMORPQ-REOHCLBHSA-N 278.070 2.628 30 40 CFEB N#CCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 25915511 CAAUCNSGWZETNS-LBPRGKRZSA-N 256.305 2.884 30 40 CFEB N#Cc1ccc(OC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 6078649 NXNFARDGMPQDQT-XBXARRHUSA-N 293.278 2.906 30 40 CFEB CCc1nn(C)cc1CN(C)Cc1cc(C#N)ccc1F 97033781 WTZRRXRMFYXWPP-UHFFFAOYSA-N 286.354 2.625 30 40 CFEB O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2O 72238411 SZUMBNYNCQHTHL-POHAHGRESA-N 260.270 2.776 30 40 CFEB COc1ccc(/N=C2\C(=O)Nc3ccc(F)cc32)cc1 77024219 YNBXJTVDBJNZSN-UHFFFAOYSA-N 270.263 2.907 30 40 CFEB Cc1nc(-c2ccccc2NC(=O)N(C)[C@H](C)CC#N)no1 86283110 OREJMMHIHCNIBD-SNVBAGLBSA-N 299.334 2.811 30 40 CFEB CC(C)c1nn(Cc2ccccc2F)c(N)c1C#N 225840805 CANAEWDIOXTPHF-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB Cc1nc2cc(Br)cc(CC#N)c2o1 89263580 SAXPPILMSHPXIQ-UHFFFAOYSA-N 251.083 2.965 30 40 CFEB CC[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 89229006 UEEHKOIVROOWTK-CYBMUJFWSA-N 259.305 2.890 30 40 CFEB COc1ccccc1/C=C/C(=O)c1c(C)nn(C)c1C 49151659 QJODXYXUGQHPAP-MDZDMXLPSA-N 270.332 2.942 30 40 CFEB CN(C)c1ccc(/C=N\N=C/c2ccccc2O)cc1 16919746 NQSZXCSEOWBWRN-WHYMJUELSA-N 267.332 2.911 30 40 CFEB COc1cc(/C=N\N2CCCCC2)cc(OC)c1OC 16981006 VOWJUHFCGOOGPB-WJDWOHSUSA-N 278.352 2.532 30 40 CFEB C[C@H]1CCC[C@H](C)N1CCOc1cc(N)ccc1C#N 1661466 FBASXSODSJYVLL-STQMWFEESA-N 273.380 2.782 30 40 CFEB COc1ccc(/C=N/c2cccc(C(N)=O)c2)cc1 244798 FSORMLYCMLUMNK-LICLKQGHSA-N 254.289 2.545 30 40 CFEB Cc1ccc(CNCc2cc(C#N)n(C)c2C)cc1 7779654 HTBIEVAXPQCBOY-UHFFFAOYSA-N 253.349 2.803 30 40 CFEB N#Cc1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nc1 29528220 UODCEMCRFMVAKR-HNNXBMFYSA-N 283.306 2.670 30 40 CFEB N#CCn1cnc2c(-c3ccccc3)csc2c1=O 23126373 ZVCMSTVHLSCELP-UHFFFAOYSA-N 267.313 2.649 30 40 CFEB O/N=C1/CCC=CCC[C@@H]1n1nnc2ccccc21 100964729 VPLSABBKTUPYAQ-RIQXPWCDSA-N 256.309 2.933 30 40 CFEB O=S1(=O)CC[C@@H](/N=C/c2ccc(Cl)cc2Cl)C1 16742215 URWDTELWVWYWNI-GCIHHOABSA-N 292.187 2.599 30 40 CFEB N#Cc1ccccc1Cn1cc(C(F)(F)F)ccc1=O 3373046 GSPGMVWKSVSWMN-UHFFFAOYSA-N 278.233 2.787 30 40 CFEB CCc1ccc(N/C(N)=N/C[C@@H](C)Cn2cccn2)cc1 69770790 MJAGOVJMEDJCJG-CYBMUJFWSA-N 285.395 2.508 30 40 CFEB Cn1cc(C2CCN(Cc3ccccc3C#N)CC2)cn1 97203622 KAMWOKVHQGEUSB-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB COc1ccc(C(N)=O)cc1NCCCC(C)(C)C#N 95417982 HFVXEEYPAAHSAY-UHFFFAOYSA-N 275.352 2.536 30 40 CFEB Cc1c(C/N=C(\N)NC(C)C)oc2ccc(F)cc12 95948351 VRTNBOFXVYJESY-UHFFFAOYSA-N 263.316 2.693 30 40 CFEB Cc1cccc2c1/C(=N/O)C(=O)N2Cc1ccccc1 46085136 OUVXKLGOENWSBM-ICFOKQHNSA-N 266.300 2.720 30 40 CFEB CC(C)(C#N)C(=O)Nc1cncc(Cl)c1Cl 96496261 XXYPCPFAUDNBHK-UHFFFAOYSA-N 258.108 2.877 30 40 CFEB N#Cc1ccccc1SCCOC[C@@H]1CCCO1 96436667 COVXHMLAUDPUBY-ZDUSSCGKSA-N 263.362 2.846 30 40 CFEB CCCCCCCNS(=O)(=O)c1ccc(OC)cc1 97960059 PRKPASPTOKZCDJ-UHFFFAOYSA-N 285.409 2.944 30 40 CFEB CC1(C2CCN(c3ccc(F)cc3C#N)CC2)OCCO1 89919722 ZEVCDUPIVDBTPE-UHFFFAOYSA-N 290.338 2.677 30 40 CFEB CCN(CC)C(=O)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 13404137 ULDRIUWGHBQBBL-FKQGJUFDSA-N 263.381 2.806 30 40 CFEB COC(=O)/C=C\c1cc(Br)ccc1C#N 13475835 VVIZNQQAIHFBRJ-HYXAFXHYSA-N 266.094 2.507 30 40 CFEB COc1ccc(/C=N/[C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 13756401 CZTMDZPKDBTDSQ-PJPXJIKFSA-N 260.381 2.843 30 40 CFEB O=C1C(=O)N(C2CCCCC2)C/C1=C\c1ccccc1 1694200 BMVPXJGIEHAUIF-SDNWHVSQSA-N 269.344 2.814 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C\c1cccnc1 1287995 FGNNKLDGGAAOMW-YBEGLDIGSA-N 287.392 2.892 30 40 CFEB CC(C)C[C@H](N)B1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 250682247 YYXCDWMJTBCHJW-GEJOOGBSSA-N 265.206 2.627 30 40 CFEB N#CCOc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 25915516 CAAUCNSGWZETNS-GFCCVEGCSA-N 256.305 2.884 30 40 CFEB N#Cc1ccsc1NC(=O)[C@@H]1Cc2ccccc2O1 29476677 WYQPFRASCFYPFT-LBPRGKRZSA-N 270.313 2.562 30 40 CFEB Cc1ccc(/C=N/S(=O)(=O)CCc2ccccc2)cc1 66216 KYPYYKOEXWNMGF-GHRIWEEISA-N 287.384 2.986 30 40 CFEB CN1C(=O)/C(=N/Nc2ccc(F)cc2)c2ccccc21 100322687 RBMVKNJLCFJRIS-NBVRZTHBSA-N 269.279 2.618 30 40 CFEB Cc1cc2n(c(=O)c1C#N)CCN2c1ccc(Cl)cc1 3030942 MTGDHAZZUIOIIS-UHFFFAOYSA-N 285.734 2.834 30 40 CFEB N#Cc1ccc(C(=O)c2cccc(CN3CCC3)c2)cc1 2515109 ONKYTWFBAYDGIM-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 102801806 NHLYHDFULMCMHJ-DPEHCCBOSA-N 293.322 2.738 30 40 CFEB CC(C)(C)c1ccc(/C=N/[C@@H]2CCS(=O)(=O)C2)cc1 16742057 IXURPIJRNRZIGE-DWKHYPNZSA-N 279.405 2.590 30 40 CFEB CCCCCCCCCCS(=O)(=O)N[C@H](C)C(=O)O 100922006 XPNMMMISOBFPAY-GFCCVEGCSA-N 293.429 2.520 30 40 CFEB COCc1ccc(/C=N/c2cccc(C(=O)O)c2)o1 59522906 YOCLHAWUBMZCNL-OVCLIPMQSA-N 259.261 2.875 30 40 CFEB CCCCNC(=S)N(C)/N=C/c1sccc1C 3322641 SAGGFXCJCBEXAL-NTEUORMPSA-N 269.439 2.997 30 40 CFEB CC(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 3461719 VODUSAKCBLYRHV-UHFFFAOYSA-N 294.310 2.874 30 40 CFEB C[S@@](=O)CCCNc1ccc(C(F)(F)F)c(C#N)c1 97144830 YDCALXSLBBSJTD-IBGZPJMESA-N 290.310 2.758 30 40 CFEB Cc1cncc(C(=O)OC[C@@H](C#N)Cc2ccco2)c1 95426584 QGOXRLXZRYIHBN-GFCCVEGCSA-N 270.288 2.522 30 40 CFEB C=CCC/C(O)=N/S(=O)(=O)N1CCCc2ccccc21 78701720 QFZMYSIUXAJMOQ-UHFFFAOYSA-N 294.376 2.607 30 40 CFEB C=CCOC(=O)c1ccc(-c2ccc(OC)c(N)c2)o1 73640385 YPRYIFNGFLALBD-UHFFFAOYSA-N 273.288 2.880 30 40 CFEB CC(C)n1cc(I)cc1C#N 226033373 OKUPMCZLXCXUNO-UHFFFAOYSA-N 260.078 2.545 30 40 CFEB Cc1cc(NC(=O)[C@H](C#N)Cc2c[nH]c3ccccc23)no1 49545736 ZCQJCZDJKLRNAC-NSHDSACASA-N 294.314 2.785 30 40 CFEB COCc1noc([C@H](C)Oc2ccc(C#N)c(Cl)c2)n1 190271526 UGIJOAODNJZQHG-QMMMGPOBSA-N 293.710 2.881 30 40 CFEB CCOc1cc(/C=N\Nc2nc(C)cc(C)n2)ccc1O 97433167 CBAQMAAYCRRMFZ-SXGWCWSVSA-N 286.335 2.644 30 40 CFEB CS(=O)(=O)c1ccccc1Sc1ncccc1C#N 96452877 DTKCPISDXCVCPJ-UHFFFAOYSA-N 290.369 2.508 30 40 CFEB CC(C)(C)[C@H]1CCc2c(nc(O)c(C#N)c2C#N)C1 66087988 XGQDPGCADHAESA-VIFPVBQESA-N 255.321 2.682 30 40 CFEB CC(=O)/C(=C/C=C\c1ccccc1)C(=O)CCN(C)C 17131241 XZEKQJUFHQLGSM-PGWBGFSZSA-N 271.360 2.736 30 40 CFEB O=C(/C=C\c1ccc(O)cc1O)c1cccc(O)c1 4683284 YDBQXALJOAOTJJ-ALCCZGGFSA-N 256.257 2.700 30 40 CFEB O=[N+]([O-])[C@@H](/C=N/c1ccc(O)cc1)/C=N/c1nccs1 4481914 JTGVGDXSAUJCQO-NZBUQZMFSA-N 290.304 2.599 30 40 CFEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 18219411 RANCKKDYFVPFGY-BJOHPYRUSA-N 298.321 2.685 30 40 CFEB COc1ccc(/C=N/N2[C@@H](C)CCC[C@H]2C)cc1O 12616481 IAZUOUDQUNLAAR-MTCUZCOSSA-N 262.353 2.998 30 40 CFEB COc1ccc(Nc2nccc(N(C)C)c2C#N)cc1 36382153 UMTMPBVITSBDSD-UHFFFAOYSA-N 268.320 2.771 30 40 CFEB CN1/C(=C\C(=O)COC(=O)C2CC2)C(C)(C)c2ccccc21 10730174 RYDWFWZNSDKTNW-YBEGLDIGSA-N 299.370 2.820 30 40 CFEB Cc1ccc(C)c(OCc2nnc(SCC#N)o2)c1 28832051 DPBSMEJZYMAMAY-UHFFFAOYSA-N 275.333 2.881 30 40 CFEB COc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1 60625757 BZBXUZGPCLJFKH-UHFFFAOYSA-N 284.315 2.844 30 40 CFEB C#CCN(C(=O)NC(C)C)[C@H]1CCc2ccccc21 65607938 FOZXVYAKOYSIDM-HNNXBMFYSA-N 256.349 2.727 30 40 CFEB N#Cc1c(Cl)ncc2c(=O)c3ccccc3[nH]c12 4629799 RJCIGCKQEXMJBD-UHFFFAOYSA-N 255.664 2.601 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCC#N)C[C@@H]21 97112743 VCUYWHZLHSWDKW-HZSPNIEDSA-N 293.411 2.525 30 40 CFEB C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 521396752 SOGZWDLZHFVBRC-CYBMUJFWSA-N 280.327 2.827 30 40 CFEB CC(C)Cn1c(SCC#N)nc2ccsc2c1=O 36357333 ZLSNSQMJQYBMCX-UHFFFAOYSA-N 279.390 2.730 30 40 CFEB CCc1ccsc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 103717440 CQVXNUZZXWMMCX-LLVKDONJSA-N 299.355 2.667 30 40 CFEB O=C1Nc2ncccc2C(=O)/C1=C/C(Cl)(Cl)Cl 5678278 VLYBEPRJQLAFMY-XQRVVYSFSA-N 291.521 2.513 30 40 CFEB CC(C)/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16892514 WYSDOKPZMGYVGI-WDZFZDKYSA-N 252.230 2.557 30 40 CFEB C[C@@H](NC(=O)[C@]12C=CC(=O)[C@@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 103926276 SHGFSCRXFLSRDX-LDKMJRAFSA-N 293.366 2.811 30 40 CFEB CCOC(=O)C1=C(Nc2cccc3ccccc23)OCC1=O 408461 PUZUEQNYTOVFGB-UHFFFAOYSA-N 297.310 2.626 30 40 CFEB C=C(C)CN(CC)C(=O)c1cc(Br)c[nH]1 35181216 WCLXSGCNKXSGKS-UHFFFAOYSA-N 271.158 2.815 30 40 CFEB O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)ccc21 6321003 AVIBKGPXQOEBBK-UHFFFAOYSA-N 284.267 2.512 30 40 CFEB N#CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 58369435 TZDBOYARJXDWRJ-UHFFFAOYSA-N 260.362 2.613 30 40 CFEB S=C(NCc1ccccc1)N/N=C1/C[C@@H]2CC=C[C@@H]12 36223787 ABOXPRAGRAKURS-LSWRPLHASA-N 271.389 2.603 30 40 CFEB Cc1ccc(CN(C)CC(=O)Nc2ccccc2C#N)cc1 3345407 UTVLQAMUBGOUHY-UHFFFAOYSA-N 293.370 2.937 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 49276214 DMDBGMZUQLNXEU-MRVPVSSYSA-N 285.246 2.538 30 40 CFEB C[C@@]12CC(=O)C3=C(CCCC3=O)N1CCc1ccccc12 4023403 RXSOQKYJSMUOPR-SFHVURJKSA-N 281.355 2.740 30 40 CFEB biogenic CC(C)(C)C(=O)[C@H]([C@H](C#N)C(=S)S)[n+]1ccccc1 5379545 DKSCCGWTUOCZEU-QWRGUYRKSA-O 293.437 2.527 30 40 CFEB N#Cc1c(F)cccc1N1CCC[C@H](N2CCCC2)C1 65576819 GZNSTVXHJRWEOT-ZDUSSCGKSA-N 273.355 2.762 30 40 CFEB C=CCNC(=O)c1ccc2sc(Cl)nc2c1 225976288 WHJBRWZWZRTFGE-UHFFFAOYSA-N 252.726 2.866 30 40 CFEB CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)no1 82338496 QLCZMHAHRAPMJI-UHFFFAOYSA-N 255.277 2.922 30 40 CFEB CC(C)[C@H](C)NC(=O)Nc1cccc(OCC#N)c1 48488715 UKMAQVDNOYLLTA-NSHDSACASA-N 261.325 2.755 30 40 CFEB COc1ccc(/C=C\C(=O)[C@]23CCC[C@@H]2O3)cc1OC 107388563 VGHKTVMADWRSIB-MMAALDBVSA-N 274.316 2.608 30 40 CFEB N#CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 5263614 JIIJXYZQGHBAFU-UHFFFAOYSA-N 269.087 2.503 30 40 CFEB Fc1ccccc1NC(=S)N/N=C/c1ccncc1 5119828 MDXYXTQESGAYBI-CXUHLZMHSA-N 274.324 2.541 30 40 CFEB CS/C(Cl)=N/S(=O)(=O)c1ccc(C)cc1 13410399 OMNLXDKGYOPXLK-PKNBQFBNSA-N 263.771 2.642 30 40 CFEB CC1=CC(=O)C=C(C)C1=NC(=O)c1ccc([N+](=O)[O-])cc1 265603 MUNBYQNZGLMFKO-UHFFFAOYSA-N 284.271 2.651 30 40 CFEB C/N=C1/S/C(=C\c2cc(Cl)ccc2OC)C(=O)N1C 59104401 MZCSBBCKLMAKFX-WBQBQJITSA-N 296.779 2.881 30 40 CFEB N#Cc1cccc(NCC(=O)N2CCc3sccc3C2)c1 54865480 ZTXWUKFJTZRFAI-UHFFFAOYSA-N 297.383 2.617 30 40 CFEB C=C(Cl)CN1CCN(CCc2ccccc2)CC1 55105905 UAJPQZKSDKXRNQ-UHFFFAOYSA-N 264.800 2.599 30 40 CFEB N#Cc1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 25060692 DDIPKIOVBMXWAF-UHFFFAOYSA-N 278.233 2.787 30 40 CFEB N#CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 25239862 WYHIHRQKRVWWQI-UHFFFAOYSA-N 293.248 2.843 30 40 CFEB CC(=O)c1cccc(NCC(=O)Nc2ccccc2C#N)c1 3342078 JUJGLTYQKKJNGY-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C#N 3491596 PYUMPVZPHWPBEP-SNVBAGLBSA-N 269.304 2.558 30 40 CFEB CC(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1 3518713 WHXBBUDDIIZRIL-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB COc1ccc(CN=C2C(=O)CC(C)(C)CC2=O)cc1 5424097 WHTRDBRIUCJAQE-UHFFFAOYSA-N 273.332 2.594 30 40 CFEB O/N=C1\C[C@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 4996720 XCZYMAYEBAWIIK-NEFPKRPYSA-N 281.617 2.552 30 40 CFEB COc1ccccc1C/C(=N/O)c1ccc(O)cc1O 19702817 DVOIDMGLKRJTAK-SSZFMOIBSA-N 273.288 2.527 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccco1 9745687 VVYMHFYJBSVEMI-UHFFFAOYSA-N 295.298 2.773 30 40 CFEB CC(C)[C@H](C#N)NC(=O)/C=C/c1ccnc2ccccc12 95398315 ZWANSMMQNOWPGK-WAVCKPEOSA-N 279.343 2.912 30 40 CFEB COC(=O)[C@H](C)CSCc1ccc(C#N)cc1F 78823533 VOONKAVIHNKEMZ-SECBINFHSA-N 267.325 2.740 30 40 CFEB COc1ccc(NC(=O)C2(OC)CCCCC2)c(C#N)c1 225805516 JNARVXSWTVFYRK-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB N#Cc1cc(N)c(N2CCCCCC2)n1C[C@H]1CCCO1 225872547 UCCTXFOTPGEJDD-CQSZACIVSA-N 288.395 2.501 30 40 CFEB Cc1cc(C)c2ncc(C#N)c(N[C@@H](C)CO)c2c1 91485302 WYZJFQKJTAWIEW-NSHDSACASA-N 255.321 2.516 30 40 CFEB C#CCNC(=O)[C@H](C)S[C@H](C)c1ccc(F)cc1 49462440 RDMUIZCEROOISD-MNOVXSKESA-N 265.353 2.758 30 40 CFEB CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)CC 156987660 PJJZXEIXMDJUHQ-JTQLQIEISA-N 269.728 2.760 30 40 CFEB O=C1CSC(=S)N1/N=C/c1c(F)cccc1Cl 1714169 QUAJTQZWGQBPSE-YIXHJXPBSA-N 288.756 2.673 30 40 CFEB N#Cc1cccc(C(=O)N[C@@H]2CCCc3occc32)c1 12946863 RLCAQFDHBVBOCS-CQSZACIVSA-N 266.300 2.959 30 40 CFEB CC[C@H]1CO[C@@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1565548631 GQBWBVBICLPQGN-KDOFPFPSSA-N 298.386 2.518 30 40 CFEB C=CCN/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O 20032758 AJSWNDWSEDXCCD-XFXZXTDPSA-N 276.723 2.651 30 40 CFEB C=C(C)CNC(=S)NCc1ccccc1Cl 6262224 VMNANIPJBHCLKN-UHFFFAOYSA-N 254.786 2.880 30 40 CFEB CCCCCCCC(=O)NN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100980659 STWNBRBUMQKVSW-STQMWFEESA-N 294.395 2.553 30 40 CFEB Cc1cn2c(CC(=O)Nc3ccc(C#N)cc3)csc2n1 12525605 JKUWSZCEBMQGQI-UHFFFAOYSA-N 296.355 2.757 30 40 CFEB Cc1ncc(CO)c(/C=N/c2ccc(Cl)cc2)c1O 5110538 ZBJFYLMYKKQONB-REZTVBANSA-N 276.723 2.992 30 40 CFEB Cc1ccc2c(c1)CCCN2CC(=O)N[C@](C)(C#N)C1CC1 6552766 GFYCUJUUZXYFJI-GOSISDBHSA-N 297.402 2.556 30 40 CFEB CCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1 409349167 VGFDBDAOPSCCSW-RIYZIHGNSA-N 294.401 2.670 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1ccc2ccccc2c1 96404925 TVXXYOGPMYHJOS-KBPBESRZSA-N 289.356 2.859 30 40 CFEB CC1(C)OB(c2ccccc2N2CCCC2)OC1(C)C 498049200 BVMZBQZNGCCEND-UHFFFAOYSA-N 273.185 2.586 30 40 CFEB NCCOCCCC(F)(F)C(F)(F)C(F)(F)F 1565671601 BQRCYMROYQIXAB-UHFFFAOYSA-N 271.176 2.575 30 40 CFEB COc1cc(CNC(=O)C2(C#N)CCCC2)ccc1C 49318727 AUZVMQALRCXMKG-UHFFFAOYSA-N 272.348 2.704 30 40 CFEB COc1cc(C#N)ccc1Cn1ccc2sccc2c1=O 97053583 XKIXWVMMRDIPCK-UHFFFAOYSA-N 296.351 2.992 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 5816040 JGIUIBBBVLROOR-LFYBBSHMSA-N 297.727 2.693 30 40 CFEB CC(/C=C\c1ccco1)=N\NC(=S)NCC(C)C 17160201 RATZNDYRSWXWNM-WYXRSZQGSA-N 265.382 2.789 30 40 CFEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N1CCc2ccccc2C1 6229591 SDLVVHFSNYGCQD-MLOUTNQZSA-N 256.349 2.673 30 40 CFEB O=C(NO)c1ccc(CNc2cccc3cccnc23)cc1 1772640830 BPDQUKCPNSRTTR-UHFFFAOYSA-N 293.326 2.966 30 40 CFEB N#CCOC(=O)c1ccccc1NCc1ccco1 11330235 YEVWHRNWFVUQTB-UHFFFAOYSA-N 256.261 2.572 30 40 CFEB Cc1cc([C@@H]2CCCN2c2ncccc2C#N)no1 13011850 GOXJATMXZUZROE-ZDUSSCGKSA-N 254.293 2.591 30 40 CFEB OC1=C/C(=N\c2nnc[nH]2)C[C@H](c2ccccc2)C1 104168798 HLGXUNZGVLTIRW-TUCQUAOGSA-N 254.293 2.897 30 40 CFEB C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 32889178 SCYSWQUWJYNWCA-LLVKDONJSA-N 294.310 2.778 30 40 CFEB N#CC(Br)(C(F)(F)F)C(F)(F)F 2526209 KBMDBLCFKPRPOC-UHFFFAOYSA-N 255.943 2.768 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccc2cn[nH]c2c1 24983075 PFPSISPNLNEJNF-UHFFFAOYSA-N 277.283 2.792 30 40 CFEB N#CCC[C@H](C#N)Cn1cnc2cc(F)c(F)cc21 25257578 DWPIDPPAVZHBBW-SECBINFHSA-N 260.247 2.758 30 40 CFEB C=C(C)CN(CC)C(=O)CNc1cc(CO)ccc1Cl 68923519 NLBDJHCIVGGONV-UHFFFAOYSA-N 296.798 2.669 30 40 CFEB CCOC(=O)c1nnsc1N/N=C(\C)c1ccccc1 4478137 YIDDXXREIKVXRG-NTEUORMPSA-N 290.348 2.551 30 40 CFEB N#CC1(NC(=O)COc2ccc(F)c(Cl)c2)CCCC1 4958032 WTOQMGNRZGKNLO-UHFFFAOYSA-N 296.729 2.810 30 40 CFEB CC(C)C[C@@](C)(C#N)NC(=O)COCc1ccccc1 71186153 OMIXJBCAQXVKHS-INIZCTEOSA-N 274.364 2.648 30 40 CFEB N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1 72270819 ZJEJQLCWTGNVRM-HUUCEWRRSA-N 295.346 2.670 30 40 CFEB C=CCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12 72398094 YVLMZOUDTRTVJL-UHFFFAOYSA-N 286.379 2.838 30 40 CFEB CC1(C)OB(c2cnc(-c3ccoc3)s2)OC1(C)C 198091964 PDZMXCPNCAQBEB-UHFFFAOYSA-N 277.154 2.702 30 40 CFEB C/C(=C/c1ccsc1)c1nc(C)c(C#N)c(=O)[nH]1 193611468 LTSSZPJYRRDJQC-YVMONPNESA-N 257.318 2.572 30 40 CFEB C#CC[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1C 195571980 QWWFOAYUOOUSHG-NSHDSACASA-N 259.305 2.522 30 40 CFEB N#Cc1cccc(OCC(=O)NC2(C#N)CCCCCC2)c1 42679117 AEYOLMMTDWFCQC-UHFFFAOYSA-N 297.358 2.670 30 40 CFEB CN(C)/C=N/c1ncnc2sc3c(c12)CCCC3 12625374 WRXNGYRJZAVWTA-LZYBPNLTSA-N 260.366 2.792 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CCC(=O)c1cccs1 58229559 QXSNFAHWLONUPC-NSHDSACASA-N 278.377 2.719 30 40 CFEB CCCCCCCC(=O)N[C@H](CCSC)C(=O)O 100110331 QZNATRWVQKQCCC-LLVKDONJSA-N 275.414 2.669 30 40 CFEB CCOc1cc(C=O)c(Br)cc1OCC#N 2762531 FEJXIHLQSUDYBD-UHFFFAOYSA-N 284.109 2.563 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2ccccc2F)c1 6250051 SVJPDAPRERMTLA-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB N#Cc1ccc(Nc2ccc3c(c2)OCCCO3)nc1 14215820 YQKYCLGLEIWYQF-UHFFFAOYSA-N 267.288 2.858 30 40 CFEB C=CCOc1cccc(NC(=S)NCCCOC)c1 63790961 ZGAHKYYLIGKISZ-UHFFFAOYSA-N 280.393 2.574 30 40 CFEB CN1C(=O)c2ccccc2N[C@H]1c1ccc(C#N)cc1 15249319 FOVZJUJMUGJVLA-OAHLLOKOSA-N 263.300 2.755 30 40 CFEB O=C(O)c1ccc(/C=C/C(=O)c2cccnc2)cc1 7739376 IQXPECCXGPDCCW-VMPITWQZSA-N 253.257 2.676 30 40 CFEB N#CCCN(Cc1ccccn1)C(=O)CCc1ccccc1 69770162 NPHDOYVKDCWTEA-UHFFFAOYSA-N 293.370 2.957 30 40 CFEB CC[C@H](CC#N)NC(=O)c1ccc2nc(C)ccc2c1 97140569 GGUPSOUDICOJAB-CQSZACIVSA-N 267.332 2.965 30 40 CFEB CC(C)Oc1cccc(C(=O)O[C@@H](C)C(C)(C)C#N)n1 89890901 PJWTWAMLXPUKBC-NSHDSACASA-N 276.336 2.964 30 40 CFEB Cn1cccc1[C@@H]1COCCN1Cc1ccc(F)c(C#N)c1 97103520 BGHJARIOGRFWBD-KRWDZBQOSA-N 299.349 2.609 30 40 CFEB CN1C(=O)C/C(=N\Nc2ccccc2)c2ccccc21 255189872 SQRQDZCPPOISLT-NBVRZTHBSA-N 265.316 2.869 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 57536137 NZAMFFSPGBSVFV-UHFFFAOYSA-N 278.311 2.879 30 40 CFEB CC1(C)OB(c2cccc3n[nH]c(Cl)c23)OC1(C)C 206178842 HNBIOPXPGPCXCL-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(N)=S)cc21 208206923 DXTUNGZOGFHYPS-IYPWXLATSA-N 290.436 2.576 30 40 CFEB COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5895643 MQVJEGMQKVDJJK-ZSOIEALJSA-N 253.257 2.706 30 40 CFEB biogenic CN(C(=O)COc1ccccc1C#N)c1ccccc1 3445351 RMXLNGRRXKVGFB-UHFFFAOYSA-N 266.300 2.600 30 40 CFEB COc1ccc(/N=C2/C(=O)Nc3ccccc32)c(OC)c1 3141489 CDWATIZMEGPOSO-UHFFFAOYSA-N 282.299 2.777 30 40 CFEB N#Cc1cccc(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1 100449759 RWENHPGTHKRHSD-TXEJJXNPSA-N 257.289 2.632 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccccc1 32830808 XENIWERYMMOVIK-WMLDXEAASA-N 287.407 2.561 30 40 CFEB Cc1ccc(N/C(N)=N/Cc2ccccn2)cc1C 104152538 PJTRIVNFXRTYNN-UHFFFAOYSA-N 254.337 2.625 30 40 CFEB N#Cc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 40465399 OWWYYVLPLQRBJG-UHFFFAOYSA-N 277.327 2.758 30 40 CFEB C[C@]12CN(C(=O)c3ccco3)[C@]3(C#N)C[C@@H]1CC[C@]23C 101023526 FWQIXDFKAFWAKS-KSYCFECVSA-N 270.332 2.824 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)nc1 32796571 LLSUQQVTXPZXSE-UHFFFAOYSA-N 285.734 2.879 30 40 CFEB N#Cc1ccc(N2N=C(c3ccccc3)CC2=O)cc1 37065015 KIDROXHDSAMXBZ-UHFFFAOYSA-N 261.284 2.699 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1cccc(C#N)c1 54531053 FCOSGYPGULJCCA-CHWSQXEVSA-N 271.364 2.760 30 40 CFEB N#Cc1cc(Sc2ccccn2)c([N+](=O)[O-])cc1C#N 1427760 DCQKOJCGMKFVRM-UHFFFAOYSA-N 282.284 2.884 30 40 CFEB C=CCNC(=S)N/N=C/c1ccc(C(C)C)cc1 5453727 LYAJFPXEFDPJHF-MHWRWJLKSA-N 261.394 2.794 30 40 CFEB CC(=O)NCC1CCN(c2ccc(Cl)cc2C#N)CC1 69569459 BBEFIFORFZJJLM-UHFFFAOYSA-N 291.782 2.564 30 40 CFEB CCOc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 72331612 KAVWPTFAHORCOI-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB N#CCC1(COC(=O)[C@@H]2CCOc3ccccc32)CC1 78949125 SVCLUBUGCKGLSU-CYBMUJFWSA-N 271.316 2.790 30 40 CFEB N#Cc1ccccc1C(=O)C(F)(F)Br 306367177 IKQXBTZNCJGSHR-UHFFFAOYSA-N 260.037 2.729 30 40 CFEB Cc1nc(N2CCc3ccccc3C2)ccc1/C=N/O 72224921 SHHPLMXCJCJMAD-LICLKQGHSA-N 267.332 2.761 30 40 CFEB Cc1csc(N(C)C(=O)c2cccc(C#N)c2)n1 40548935 ARKXJMSKCWNPMQ-UHFFFAOYSA-N 257.318 2.600 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ccsc1)C2 253373202 IATUUEWLZCHDGC-UHTWSYAYSA-N 263.362 2.554 30 40 CFEB CC1=CC[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC1=O 1772591879 SXUCLMYZAREXCX-IAQYHMDHSA-N 266.337 2.618 30 40 CFEB C=CCCC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C)cn1)C2 1889114102 GVUIDEWTQJBAGM-KBPBESRZSA-N 273.380 2.852 30 40 CFEB Cc1ccccc1C(=O)OCC(=O)Nc1cccc(C#N)c1 3216303 KTCMBRIFTCUKMH-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB CS/C=C/C(=O)[C@H](C#N)c1nc2ccccc2n1C 79111828 TWLGAUMJXXQUQK-JARNTUPDSA-N 271.345 2.626 30 40 CFEB COc1ccc([C@@H]2CCCC[C@H]2OS(C)(=O)=O)cc1 1706497 QQGMFHHIXCQTFJ-UONOGXRCSA-N 284.377 2.698 30 40 CFEB N#CCC[C@H](C#N)CN1CCO[C@H](c2ccsc2)C1 107518154 CGRHZTGJGGAQKS-OCCSQVGLSA-N 275.377 2.565 30 40 CFEB C=C(Br)CNC(=O)c1c(F)cccc1F 58326049 KHTFYFRBCBQASJ-UHFFFAOYSA-N 276.080 2.603 30 40 CFEB N#Cc1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1 26508995 GJLZMTREMWUAAZ-UHFFFAOYSA-N 298.258 2.987 30 40 CFEB CCN(CC)C(=O)CCNc1cccc(Cl)c1C#N 48346550 FGVFUOJMCFIGCL-UHFFFAOYSA-N 279.771 2.882 30 40 CFEB CCn1nccc1/C=C/C(=O)c1cc2ccccc2oc1=O 71784840 UCECWGQOSCXNRJ-BQYQJAHWSA-N 294.310 2.906 30 40 CFEB C=CCOc1ccc(CNCCn2cc(C)cn2)cc1 71877358 HAFHVRUCIFEOQU-UHFFFAOYSA-N 271.364 2.546 30 40 CFEB CCNC(=S)N/N=C1/C(O)=Nc2ccc(C(C)C)cc21 95949787 MPYBJXLLUAPWFQ-UHFFFAOYSA-N 290.392 2.600 30 40 CFEB C=C(C)CSCC(=O)Nc1ccccc1OC 75092348 JXUBHAOQDNHWAJ-UHFFFAOYSA-N 251.351 2.943 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/Nc2ccccc2)c1O 34107907 LEBKUEZLYPFPDO-NTEUORMPSA-N 257.249 2.746 30 40 CFEB C=CCCC(=O)N1CC(C)(C)OC2(CCCC2)C1 189380347 KMMOFRKRPUIFRC-UHFFFAOYSA-N 251.370 2.903 30 40 CFEB C=CCNC(=O)c1ccc(OC)c(COCC(C)C)c1 224445339 JVSWLNWFPYFENQ-UHFFFAOYSA-N 277.364 2.784 30 40 CFEB C=CCn1nc(Cc2ccccc2Cl)c(C#N)c1N 225836943 PKSDKUPQPHYUMV-UHFFFAOYSA-N 272.739 2.767 30 40 CFEB CCOC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCCC1 225828845 BQISMNOXVNICSM-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB Cc1n[nH]cc1NC(=O)Nc1cc(C#N)cn1C(C)(C)C 69456500 FYVFWCSTYFDCMT-UHFFFAOYSA-N 286.339 2.790 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2[C@H]3CC[C@@H]2C3)cc1 17060112 WAWLMCAKBFCUTI-ONXXMXGDSA-N 266.362 2.746 30 40 CFEB CCS/C(=N/c1ccccc1)N1CCOCC1 19902464 UBDQJUOVMRPZMS-BUHFOSPRSA-N 250.367 2.759 30 40 CFEB Cc1nc(C#N)c(NC[C@H](c2ccco2)N2CCCC2)o1 27562202 VDBUZXKGWOPLSH-CYBMUJFWSA-N 286.335 2.697 30 40 CFEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccn1 1270441 KMUNYDQXPADQKG-RAXLEYEMSA-N 281.340 2.973 30 40 CFEB COC(=O)CCCCCc1ccc(/C=N/O)s1 100282639 WFKZURCOYWMNDN-UKTHLTGXSA-N 255.339 2.832 30 40 CFEB N#Cc1ccc(F)c(CN2CCN(Cc3ccco3)CC2)c1 22849867 OHRDSEHFJUTVGW-UHFFFAOYSA-N 299.349 2.608 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc(C#N)c2)c1 69486206 HTDSIMYRGDOSKT-KGLIPLIRSA-N 268.364 2.803 30 40 CFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2ccccc21 16480115 IHCOGTLUTDGMFC-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCc2ccccc21 6578424 DMVRKVJXTSWBGO-AWEZNQCLSA-N 297.402 2.780 30 40 CFEB CN(CC[S@](=O)c1ccccc1)Cc1cccc(C#N)c1 69580658 WNDCLFGLUBFRQH-OAQYLSRUSA-N 298.411 2.798 30 40 CFEB C[C@@H](Nc1ccc(C#N)cn1)[C@@H](O)c1ccc(F)cc1 78673123 HTYKJUFROWFVJP-MEBBXXQBSA-N 271.295 2.626 30 40 CFEB C=CCN(CC=C)C(=O)NCc1cc(C#N)ccc1F 74809083 JRZBDODAZKUNPF-UHFFFAOYSA-N 273.311 2.581 30 40 CFEB O=C1Oc2ccccc2[C@@H](O)[C@@H]1/C=N/c1ccc(F)cc1 226757362 UXLXEMCDYFPAFJ-QXWLQJASSA-N 285.274 2.797 30 40 CFEB CCCCSc1nc(N)c(C#N)c(C(F)(F)F)n1 225894306 BJZSAHMRUFGJOJ-UHFFFAOYSA-N 276.287 2.841 30 40 CFEB C#CCOc1c(C(=O)O)oc2ccc(Cl)cc12 96510832 MPDKOZXXTVGOQG-UHFFFAOYSA-N 250.637 2.796 30 40 CFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)CC1=CCCCC1 96404646 ZWGCOTKBMLTXBM-UHFFFAOYSA-N 298.364 2.827 30 40 CFEB COc1cccc(CN(CCC#N)C2CCOCC2)c1 95972569 JWVXESZPMFUQJD-UHFFFAOYSA-N 274.364 2.590 30 40 CFEB Cc1cc2nc(/N=C/c3nc(C)c(O)[nH]3)[nH]c2cc1C 18211420 ACWODJICLQEZBE-GIDUJCDVSA-N 269.308 2.667 30 40 CFEB N#CCOc1ccc(NC(=O)c2cccc(F)c2)cc1 23150679 KLHQTURBNCASGK-UHFFFAOYSA-N 270.263 2.980 30 40 CFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C#N)cc2)o1 107636406 UYCIVANSRBCALF-VCHYOVAHSA-N 298.371 2.636 30 40 CFEB CC1(C)CC(=O)c2c(nc(-c3ccc(C#N)cc3)n2O)C1 55175262 FAIAWSZDGDCUDL-UHFFFAOYSA-N 281.315 2.814 30 40 CFEB CCOC(=O)N/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C 100364358 APACOMOGYGDSLN-BONDVVADSA-N 251.326 2.642 30 40 CFEB Cc1cc(NC(=O)c2ccc(C)s2)n(CCC#N)n1 58228133 AOIDKCCNYCYCIH-UHFFFAOYSA-N 274.349 2.727 30 40 CFEB CNc1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])s1 12688886 VQYCDAMLAVLZKL-UHFFFAOYSA-N 293.333 2.511 30 40 CFEB Cc1nn(C)c(C)c1/N=C/c1ccc2c(c1)OCO2 408973451 AXJSYXZIUOLJEB-VIZOYTHASA-N 257.293 2.516 30 40 CFEB N#CCCn1cc(C(N)=O)c(-c2cccc3ccccc23)n1 5000336 PRQXWQGFNPBRGH-UHFFFAOYSA-N 290.326 2.716 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc2ccccc2[nH]1 5070661 GFEMNDUCDOBKMS-OQLLNIDSSA-N 281.275 2.917 30 40 CFEB N#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1 66339723 YBEQOLPTZPSMNQ-UHFFFAOYSA-N 254.680 2.921 30 40 CFEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1F 15293605 ZMHOLOLIEQDLIT-OAHLLOKOSA-N 277.343 2.601 30 40 CFEB N#CCc1ccc(NC(=O)COc2cccc(F)c2)cc1 8125935 DAGZRDNTKHYOBR-UHFFFAOYSA-N 284.290 2.909 30 40 CFEB Cn1cc(CNc2oc(-c3cccs3)nc2C#N)cn1 80345417 RHSDQLXEUYBVBJ-UHFFFAOYSA-N 285.332 2.620 30 40 CFEB C#CC(C)(C)[C@@H](C(=O)OC)c1ccccc1[N+](=O)[O-] 98064819 BCPOLGSOZICWBQ-GFCCVEGCSA-N 261.277 2.511 30 40 CFEB O=C1CCCC/C1=C\Nc1ccc(N2CCOCC2)cc1 6045230 FGGQORDZKSUKGV-BUHFOSPRSA-N 286.375 2.962 30 40 CFEB C=C(C)CN1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 95422060 CVRUSGOQVKGAGJ-OAHLLOKOSA-N 280.456 2.963 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 58341125 DPBPRSLELIBHHM-HNNXBMFYSA-N 254.333 2.895 30 40 CFEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccnc1 11640032 VWVWQJURZYZUEM-LCYFTJDESA-N 281.340 2.973 30 40 CFEB N#CC1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCC1 29825199 GNRRSWFRNKIQHC-OAHLLOKOSA-N 284.359 2.670 30 40 CFEB CCc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)o1 20196276 CRADILRQHXKWPX-WOJGMQOQSA-N 288.347 2.983 30 40 CFEB CCN(C(=O)COc1ccccc1C#N)c1ccccc1 3445564 NMRCXPWLOLUEMV-UHFFFAOYSA-N 280.327 2.990 30 40 CFEB COc1ccc(C(=O)COc2cccc(C#N)c2)cc1 6401555 PWOFWVVWTTXNDR-UHFFFAOYSA-N 267.284 2.829 30 40 CFEB C/C(=N\NC(=S)NCc1ccco1)c1ccc(F)cc1 4567550 JKNOWDXSRMYOGM-LICLKQGHSA-N 291.351 2.807 30 40 CFEB COc1cccc(/C=C/c2nc(C#N)c(N(C)C)o2)c1 4840425 QCFBFLFFEHUNOM-BQYQJAHWSA-N 269.304 2.791 30 40 CFEB N#Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 7215025 FGSACOLVYNWVCS-HNNXBMFYSA-N 278.311 2.812 30 40 CFEB N#Cc1cc([N+](=O)[O-])cnc1NC1CCCCCC1 23584227 GEMHNFGVQOKSOB-UHFFFAOYSA-N 260.297 2.996 30 40 CFEB O=C1c2ccccc2C(=O)N1/N=C/c1cccc(Cl)c1 62632 SXMXENXKEMLOIW-RQZCQDPDSA-N 284.702 2.970 30 40 CFEB N#Cc1sc(=N)n(-c2ccc3ccccc3c2)c1N 5338720 BKWQNTRAUGXGKB-UHFFFAOYSA-N 266.329 2.625 30 40 CFEB C=C/C=C\C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16892492 BJHIKAWRMVMKTI-MJXUXYKOSA-N 262.225 2.643 30 40 CFEB Cc1ccc(/N=C(\Nn2cnnc2)c2ccccc2)cc1 19958528 RHBVZIXCLGECIS-UHFFFAOYSA-N 277.331 2.909 30 40 CFEB C=CCN1C(=O)N=C(O)/C(=C\c2c[nH]c3ccccc23)C1=O 2278765 WEBZBTROZLJPQN-XYOKQWHBSA-N 295.298 2.656 30 40 CFEB CCOc1ccccc1/C=N/c1ccccc1C(N)=O 587459 ZBDYBMBBNGIWAT-WOJGMQOQSA-N 268.316 2.935 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)[nH]c1C 23434768 ZPDIGJIRWXSFRX-UHFFFAOYSA-N 284.315 2.774 30 40 CFEB COc1ccc([C@H](O)C2=CC(=O)c3ccccc3C2=O)cc1 2044385 ANGZQESMCWBZAV-KRWDZBQOSA-N 294.306 2.734 30 40 CFEB CC(C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 49877247 YZOBQVKQZGUIER-NSHDSACASA-N 281.153 2.786 30 40 CFEB C=CCNc1ncnc2c1cnn2-c1ccc(F)cc1 4354444 JAUCSHBWJOAPIL-UHFFFAOYSA-N 269.283 2.553 30 40 CFEB C[C@H](NCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 14254546 BDPVWZXYFOJFTI-LBPRGKRZSA-N 297.333 2.814 30 40 CFEB N#CCCCSc1nnc(-c2ccc3c(c2)OCO3)o1 4891040 CKUQHLRYJDJWKW-UHFFFAOYSA-N 289.316 2.861 30 40 CFEB C=CCn1c([C@@H](C)NC(=O)c2ccccc2)n[nH]c1=S 5954530 OODBLQPWXIRSTF-SNVBAGLBSA-N 288.376 2.618 30 40 CFEB Cc1cc(C)n2nc(SCc3ccccc3C#N)nc2n1 7005558 AJFIXUNBPRRNNK-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB CCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)o1 71889052 BGMHVQFZHREOFS-ZDUSSCGKSA-N 272.279 2.976 30 40 CFEB CC(C)(C)CS(=O)(=O)/N=C(\O)Cc1cccs1 95396264 NSCZFWZHXBTDHM-UHFFFAOYSA-N 275.395 2.623 30 40 CFEB CCNC(=NCc1sccc1Br)NCC 76105446 ZQGWWGMXUNPUCM-UHFFFAOYSA-N 290.230 2.586 30 40 CFEB CCN(CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 44572486 YFBSUNLSRNHJBF-NSHDSACASA-N 276.340 2.609 30 40 CFEB COc1ccc(-n2c(C)cc(C#N)c2C)cc1[N+](=O)[O-] 223716305 MMSKHXDQFCXQIK-UHFFFAOYSA-N 271.276 2.883 30 40 CFEB CCc1ccc(-n2nc(C#N)c(N3CCCCC3)n2)cc1 256046852 IMFAAHSIHCWRDB-UHFFFAOYSA-N 281.363 2.692 30 40 CFEB C[C@H](C[C@H](O)c1ccccc1)Nc1cc(C#N)ccn1 283875397 UYXQJTIMKSNVDJ-DOMZBBRYSA-N 267.332 2.877 30 40 CFEB CCC[C@H](C#N)NC(=O)CCCOCCc1ccccc1 71185055 VCFIODDJCYQBGX-MRXNPFEDSA-N 288.391 2.834 30 40 CFEB COC(=O)C/C(C)=N\Nc1ccc(Cl)cc1[N+](=O)[O-] 16136654 CMQBXRGZHSFBIT-QPEQYQDCSA-N 285.687 2.599 30 40 CFEB CCCNC(=S)N/N=C(/C)c1nccc2ccccc12 17125900 TUESDPRQZUCHHY-WQRHYEAKSA-N 286.404 2.833 30 40 CFEB Cn1c(N/N=C/c2cccc(O)c2)nc2ccccc21 7343409 NCSOMNIAZOVADW-MHWRWJLKSA-N 266.304 2.725 30 40 CFEB CCOC(=O)/C(=N\Nc1cccc(Cl)c1C)C(C)=O 101563439 RSKORAMMPICAJD-VBKFSLOCSA-N 282.727 2.568 30 40 CFEB COc1cccc(CNC(=O)NCC#Cc2ccccc2)c1 32802854 WXZMTNHYQYZITL-UHFFFAOYSA-N 294.354 2.546 30 40 CFEB N#Cc1ccc(Cn2c(=O)oc3ccccc32)cc1 99103 JPERFYIZBYRGEY-UHFFFAOYSA-N 250.257 2.514 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2cc(F)ccc2F)cc1 12641109 CQADOIFLDCJGIN-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB COc1cccc(/C=N/Nc2ccc(C(=O)O)cc2)c1 4738506 TZWLQSVMWOIRBB-MHWRWJLKSA-N 270.288 2.839 30 40 CFEB COc1ccc(CCNC2=CC(=O)C[C@@H](C)C2)cc1OC 5211708 FDIWCDJCDZRIDV-LBPRGKRZSA-N 289.375 2.719 30 40 CFEB Cn1nccc1C(=O)/C=C/c1ccc(OC(F)F)cc1 6925471 AHAJQPHFMRXNRO-QPJJXVBHSA-N 278.258 2.918 30 40 CFEB C=CCNC(=O)c1csc(-c2ccc(OC)cc2)n1 8271582 BNBRPZMQEMEJHE-UHFFFAOYSA-N 274.345 2.735 30 40 CFEB N#Cc1cc(Br)ccc1NC[C@H](O)C1CC1 97083852 GLXOFXCGVBLKSM-LBPRGKRZSA-N 281.153 2.504 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)CCC(F)(F)F)c(C)o1 97231255 SALOQEKILFSBAG-UHFFFAOYSA-N 299.270 2.884 30 40 CFEB COc1cccc(/C=N\Nc2nccs2)c1OC 31854312 YMXHLKMKIDEMNG-ZSOIEALJSA-N 263.322 2.606 30 40 CFEB C#CCOC(=O)c1ccc(-c2cccc(N)c2C)o1 73640350 YYERLGAJSXSKAN-UHFFFAOYSA-N 255.273 2.627 30 40 CFEB C=CCOc1ccc(CN[C@@H](CC(C)C)C(=O)O)cc1 43432753 XBNZEMAKXHHZOU-HNNXBMFYSA-N 277.364 2.840 30 40 CFEB C/C=C/C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 85474045 OYPLXICDTJOJHE-QHHAFSJGSA-N 297.276 2.780 30 40 CFEB C=C(C)C(=O)OCCSCC1SCCS1 521824345 ALVYODDWUXIUPP-UHFFFAOYSA-N 264.437 2.645 30 40 CFEB C=C(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F 14592990 DAUQEQSACMZHDS-UHFFFAOYSA-N 254.101 2.896 30 40 CFEB CCCc1nn(-c2nc3ccccc3[nH]2)c(O)c1CCC#N 14607970 YAZFXCIDHRAMHW-UHFFFAOYSA-N 295.346 2.863 30 40 CFEB C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(C)c(C)c1C 32921 JNPWVDARWXOOJJ-HNNXBMFYSA-N 279.405 2.692 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(F)cc1F 32679711 PUAFNWVEWWRLDO-UHFFFAOYSA-N 295.266 2.604 30 40 CFEB COc1ccccc1/C(O)=N/c1nc(-c2ccco2)n[nH]1 12849115 BUYUAGKWKHVSAU-UHFFFAOYSA-N 284.275 2.710 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/Nc1nncc2ccccc12 5119688 BWEVXHVXVQUIIZ-LICLKQGHSA-N 293.286 2.984 30 40 CFEB C=CCCC(=O)NC[C@](C)(O)c1ccccc1Cl 97143389 CPRJOZGYGXYUKG-AWEZNQCLSA-N 267.756 2.630 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1C 78441188 ZQMOMGZXPJDUSJ-DOMZBBRYSA-N 271.364 2.888 30 40 CFEB CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)cc1 78984837 ONFQVIVPXFPEOZ-AWEZNQCLSA-N 297.289 2.669 30 40 CFEB Cc1cc(N2CCc3c(ncn3C3CC3)C2)c(C#N)c(C)n1 95430789 POAPJMLTLBHDOQ-UHFFFAOYSA-N 293.374 2.664 30 40 CFEB FC(F)(F)c1cc(C2CC2)nc(NCCS)n1 35655681 ZFJXOMGXVQSLDZ-UHFFFAOYSA-N 263.288 2.715 30 40 CFEB N#Cc1cnc(O)c2cc(Br)sc12 77011537 FIAFOJCIZMGXIV-UHFFFAOYSA-N 255.096 2.636 30 40 CFEB N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 89762064 CQPBOGSPYOUBFH-JSGCOSHPSA-N 257.337 2.681 30 40 CFEB O=C1C(=O)N(/N=C/c2ccc(Cl)cc2)c2ccccc21 96191903 PCWAYDLAYIPGEX-RQZCQDPDSA-N 284.702 2.903 30 40 CFEB CCO[C@@H](C)OCC#Cc1cc(F)c(F)c(F)c1 95632732 QEEQEMZVMOJKHB-SECBINFHSA-N 258.239 2.855 30 40 CFEB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCC#N)o1 64003439 CLHWSUOHLMYTSD-HASJVIIQSA-N 258.321 2.788 30 40 CFEB CCN(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1 16093054 YFQHQTKPCBITOE-UHFFFAOYSA-N 292.404 2.902 30 40 CFEB CCOC(=O)/N=C(\NC(C)=O)c1c(C)cc(C)cc1C 5716503 PTRJDNDKTIXZPS-UHFFFAOYSA-N 276.336 2.651 30 40 CFEB N#Cc1c(N)c(C(=O)c2cccs2)n2ccccc12 12360579 XIHAHLAPRLILCA-UHFFFAOYSA-N 267.313 2.686 30 40 CFEB N#Cc1c(/C=C/c2ccccc2)nc(=S)[nH]c1O 16989483 MMQDBPOFKFGPDQ-VOTSOKGWSA-N 255.302 2.887 30 40 CFEB N#Cc1ccc(CS(=O)(=O)Cc2ccccc2F)cc1 40070048 AADUUCDOLZKGDX-UHFFFAOYSA-N 289.331 2.812 30 40 CFEB CC(C)(C)C(=O)C[n+]1cn(C(F)F)c2ccccc21 4262836 ODLGPQTZSYVUNU-UHFFFAOYSA-N 267.299 2.939 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 35515456 GCEQJUADWFNJDR-ZEVUIBNCSA-N 288.263 2.867 30 40 CFEB N#Cc1cccc(COC(=O)COc2ccccc2C#N)c1 8142304 NBZIXYFCPCIFJE-UHFFFAOYSA-N 292.294 2.552 30 40 CFEB Cn1nccc1C1CCN(Cc2cccc(C#N)c2)CC1 58297399 XCNQIAKFFPQQKD-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB CCCC/N=C1\NN=C(c2cccc([N+](=O)[O-])c2)CS1 6862707 JAIYRWQFNMIOHX-UHFFFAOYSA-N 292.364 2.791 30 40 CFEB Cc1ccc(C(N)=O)cc1Oc1ccc(C#N)cc1[N+](=O)[O-] 69775822 PTZYQYMPYGYDQW-UHFFFAOYSA-N 297.270 2.666 30 40 CFEB C=C(Cl)C[S@](=O)Cc1csc(-c2ncccn2)n1 97160192 JHOJEKQJQORGNI-GOSISDBHSA-N 299.808 2.601 30 40 CFEB CCOC(=O)[C@@H](C#N)CC(=O)c1ccccc1C(F)(F)F 115354025 BQVIJVKKRNWBJH-SECBINFHSA-N 299.248 2.981 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCCc2ccccc21 96012795 HSEFGXWICYWRAI-WMLDXEAASA-N 299.418 2.662 30 40 CFEB Cc1ccc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])cc1C 225242663 SSPYQOFLMNULLS-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 96184337 OCADXWBVOIXMDU-LSDHHAIUSA-N 290.794 2.815 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC12CCOCC2 98018435 FMOHQHPRIDHKNW-QGZVFWFLSA-N 297.398 2.774 30 40 CFEB CCOC(=O)c1cncc(-c2cccc(C#N)c2)c1 15043056 IPWZQLWEEDVYIT-UHFFFAOYSA-N 252.273 2.797 30 40 CFEB CN(C)c1ccc(/C=N/N=C\c2ccccc2O)cc1 16919751 NQSZXCSEOWBWRN-HMQSQOOHSA-N 267.332 2.911 30 40 CFEB O=C(/C=C/c1ccncc1)c1ccc([N+](=O)[O-])cc1 12599053 OYRATWHQQZLJES-LZCJLJQNSA-N 254.245 2.886 30 40 CFEB CN1CCCCC/C1=N\C(=S)CN1CCCC1=S 4785275 CJWVDKJZEARXDT-SDNWHVSQSA-N 283.466 2.641 30 40 CFEB C[Si](C)(C)C#Cc1cnn(CC2CCOCC2)c1 1857794320 FFICEDJNJLHHFX-UHFFFAOYSA-N 262.429 2.539 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc2ccccn12 3322652 VIOPHWHFMJINST-UHFFFAOYSA-N 297.299 2.660 30 40 CFEB Cc1nnc(S[C@@H]2/C(=N\O)[C@H]3CC[C@H]2C3)s1 100965832 BXTDDAZSTPNURI-BKTXLDENSA-N 255.368 2.567 30 40 CFEB N#Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 9544532 CJWHKSPOGIXLKW-UHFFFAOYSA-N 254.264 2.879 30 40 CFEB CO/N=C\C1c2ccccc2C(=O)c2ccccc21 5526069 KPKIPPGJVAWSIP-YVLHZVERSA-N 251.285 2.995 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)nc1 4811489 ASOLXQKEDDZDAW-CAOOACKPSA-N 281.275 2.917 30 40 CFEB COc1ccc(OC)c(C(=O)/C=C\c2cn(C)nc2C)c1 6921417 KGMXKBFZLJJYRF-ALCCZGGFSA-N 286.331 2.642 30 40 CFEB CCCN1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 97144571 UHENVWXRKBTSDH-LBPRGKRZSA-N 288.351 2.610 30 40 CFEB COc1cc2c(cc1/C=N\c1ccc(O)cc1)OCO2 409069062 VTGHPRQINKXWJQ-PXNMLYILSA-N 271.272 2.880 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCC[C@@H](C)C2)nc1 223919718 WWSRICXXIDPJIA-GFCCVEGCSA-N 290.436 2.790 30 40 CFEB CCCS(=O)(=O)/N=C(\O)CCCc1ccccc1 96416208 PGAWMMHSIYHYKW-UHFFFAOYSA-N 269.366 2.706 30 40 CFEB CN(C)[C@@H](CNc1ccc(C#N)cc1)c1ccco1 280480906 NVNXNZBLLLKPGH-AWEZNQCLSA-N 255.321 2.866 30 40 CFEB COc1ccc(-c2c(C#N)cnc(C)c2C)c(O)c1OC 13281575 UWJSITSXVNDELZ-UHFFFAOYSA-N 284.315 2.960 30 40 CFEB O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccccn1 13283796 XUXDNOQVOHCPEV-HZPDHXFCSA-N 251.285 2.721 30 40 CFEB N#C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F 258537783 NCHVAHMCEGHKKP-QWHCGFSZSA-N 262.284 2.507 30 40 CFEB Cc1cc(OCCn2cnc(C#N)n2)ccc1C(C)C 21914372 BZJZWYIIACCGKQ-UHFFFAOYSA-N 270.336 2.661 30 40 CFEB O=C(NCC#Cc1ccccc1)c1cc(F)ccc1F 25162781 YMKARZZKBUYZIY-UHFFFAOYSA-N 271.266 2.746 30 40 CFEB Cc1ncc(CO)c(/C=N/C2CCCCCC2)c1O 5110645 UCUSVRHEERTRCI-RQZCQDPDSA-N 262.353 2.730 30 40 CFEB Oc1ccc(/C=N\Nc2nc3c(s2)CCCC3)c(O)c1 31854633 GLCHYKBWGHGLIO-NVNXTCNLSA-N 289.360 2.879 30 40 CFEB CCCCC1=C(O)[N+](c2ccccn2)=C2C=CC=N[C@@H]2C1=O 6386570 VAQLYROEVRIWEI-HNNXBMFYSA-O 296.350 2.718 30 40 CFEB CN(C)C1CC2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 108525091 VDGFSRDWMFSCNO-UHFFFAOYSA-N 287.382 2.613 30 40 CFEB C=CCN(C)Cc1ccc(OC)c(OC(F)F)c1 51709519 ODYLGDJGYJBEQE-UHFFFAOYSA-N 257.280 2.914 30 40 CFEB CCC[C@H](C#N)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451223 FDHXSHNVDKRBNJ-OAHLLOKOSA-N 295.342 2.668 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C 2636430 WMQONBJULDSNMR-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB N#Cc1nc(-c2cccnc2)oc1NCc1ccncc1 35672282 FCDPGBBZEKMEQH-UHFFFAOYSA-N 277.287 2.615 30 40 CFEB N#Cc1cccc(S(=O)(=O)Oc2ccc(F)c(F)c2)c1 10224033 IHQKTUBWGLDJRN-UHFFFAOYSA-N 295.266 2.604 30 40 CFEB C=CCN(CC=C)C(=S)NC(=O)c1cccc(C)c1 2136583 VHWSGGJWAMXQFW-UHFFFAOYSA-N 274.389 2.684 30 40 CFEB CCn1c(C)cc(/C=C2\S/C(=N\C)N(C)C2=O)c1C 409102904 FSUBCKZOPFJPGD-YHININJHSA-N 277.393 2.657 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc3nccnc3c2)c1 12976066 NNVPNCVCSUAQEY-UHFFFAOYSA-N 273.295 2.863 30 40 CFEB CC[C@@]1(C)C[C@@]2(CCCN(CC#CCN(C)C)C2)CCO1 4023336 YSTCJAQWGIWABF-ZWKOTPCHSA-N 292.467 2.613 30 40 CFEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccccc1[S@]2=O 13686735 FVJIYGKDFSPZQX-SFHVURJKSA-N 261.346 2.820 30 40 CFEB CC[C@](C)(C#N)NC(=O)CCCOc1ccccc1C 69463942 WDQQOSSCNSZVGJ-MRXNPFEDSA-N 274.364 2.963 30 40 CFEB COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1OC 15540310 YBXJVBKFXNSUOE-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB COc1ccc2c(C)cc3nnc(SCC#N)n3c2c1 9221568 SCAKFNCSKGFPMI-UHFFFAOYSA-N 284.344 2.815 30 40 CFEB C=CCN/C(=N/[C@@H](C)c1cccs1)NCC1CC1 95350555 ISXKHALOMYUYMM-NSHDSACASA-N 263.410 2.940 30 40 CFEB C#CCOc1cccc(/C=N/NCc2ccccc2OC)c1 20762261 IYTREUWKHUPBRR-CPNJWEJPSA-N 294.354 2.831 30 40 CFEB CCCCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 37868924 OJMYSGJGVBORFO-UHFFFAOYSA-N 298.390 2.655 30 40 CFEB CC(C)(C)OC(=O)[C@H](C#N)c1cnc2ccccc2n1 526059806 KZTSTUNOPIOPOB-SNVBAGLBSA-N 269.304 2.579 30 40 CFEB CCCCCCCCOC(=O)[C@H](N)[C@@H](O)c1ccccc1 70664731 CIJRIMHPCCXMTD-CVEARBPZSA-N 293.407 2.951 30 40 CFEB biogenic C/N=C(/NCCCCSC)N[C@H](C)c1ccc(C)o1 96461899 QFQZTCBHGVIGCK-GFCCVEGCSA-N 283.441 2.957 30 40 CFEB N#Cc1ccc(C(F)(F)F)c(NC[C@H](O)C2CC2)c1 97096834 LMOABTQHLHPKFL-LBPRGKRZSA-N 270.254 2.760 30 40 CFEB C=CCn1/c(=N/C(=O)CC)sc2cc(F)ccc21 100874432 VRTBKJPUIRJACU-SQFISAMPSA-N 264.325 2.865 30 40 CFEB COc1ccc2c(c1)O[C@@]1(C)O[C@]1(c1ccccc1)C2=O 1094096 VMRJIOUWFBJQSV-DLBZAZTESA-N 282.295 2.912 30 40 CFEB CC(C)(C)N1C(=O)[C@](Cl)(C#N)[C@H]1c1ccccc1 1588408 IUUXVIAQAHVDPJ-RISCZKNCSA-N 262.740 2.870 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@H]4CC[C@@H]4[C@@H]32)cc1 101046578 PWROZVJTPAXOPA-LXFSFDBISA-N 278.373 2.745 30 40 CFEB N#Cc1ccccc1CN1CCOc2ccccc21 32825381 KAUADJPCBKXNLN-UHFFFAOYSA-N 250.301 2.957 30 40 CFEB CCOC(=O)C1=C(C)/C(=N\Nc2ccc(F)cc2)N=C1C 100891900 FUUQEBGEZLTZFH-XMHGGMMESA-N 289.310 2.905 30 40 CFEB Fc1ccccc1/C=N/n1c(S)nnc1C(F)F 2789746 LVWBFOKKZAXNAR-LHHJGKSTSA-N 272.255 2.526 30 40 CFEB Cn1cc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)cn1 69778847 SVAHMSJFUSORLA-INIZCTEOSA-N 284.338 2.768 30 40 CFEB Cc1c(C(=O)/C=C/c2cccnc2)nnn1-c1ccccc1 58185074 FYGPPESSYBREOI-MDZDMXLPSA-N 290.326 2.867 30 40 CFEB C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1 3442543 SGGFASBZCBCLDZ-GFCCVEGCSA-N 298.317 2.954 30 40 CFEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2ccccc21 39978314 XSOQUNCFIUHGIH-JTQLQIEISA-N 276.361 2.876 30 40 CFEB COc1cccc(CC(=O)N[C@@H](C#N)c2ccccc2C)c1 66405254 VGQHUTIUQRAKFB-KRWDZBQOSA-N 294.354 2.927 30 40 CFEB O=C1C(=C2NC[C@H](c3ccccc3)O2)C(=O)c2ccccc21 75284180 WZPZAXAXBRIIFB-CQSZACIVSA-N 291.306 2.638 30 40 CFEB O=S(=O)(Cc1ccccc1Cl)/N=C(\O)c1ccco1 79052433 SZLZFMZQBFWKFF-UHFFFAOYSA-N 299.735 2.768 30 40 CFEB CN(CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 7976072 KLVGZLDYNDTPHF-UHFFFAOYSA-N 277.412 2.594 30 40 CFEB CCCN1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 198024846 XPEZSMXJJVCAQE-UHFFFAOYSA-N 251.179 2.660 30 40 CFEB Cn1cccc1C(=O)COc1ccc(C#N)c(Cl)c1 190266347 JGLJCGHCQQOBMO-UHFFFAOYSA-N 274.707 2.812 30 40 CFEB C=C(Cl)COC(=O)c1cc(O)nc2ccccc12 16210041 YXORTCVXUISZEI-UHFFFAOYSA-N 263.680 2.850 30 40 CFEB CCOC(=O)/C(=C/c1ccc[nH]1)C(=O)c1ccccc1 5828078 KOYOUOVADJXSRE-SDNWHVSQSA-N 269.300 2.844 30 40 CFEB CCC(=O)C1=C(Nc2ccccc2N)CCCC1=O 5584731 SVJULOZQXCGFHP-UHFFFAOYSA-N 258.321 2.667 30 40 CFEB Cc1ccc(C)c2nc(N3CCOCC3)c(C#N)cc12 11986449 CZIMLHXJXVGELI-UHFFFAOYSA-N 267.332 2.560 30 40 CFEB N#Cc1ccc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1 558705204 QDJIMDMGPRPQRR-HOTGVXAUSA-N 290.370 2.526 30 40 CFEB N#Cc1nccnc1NCc1ccccc1OCC1CC1 96417337 KSGVSDHXPAQBOD-UHFFFAOYSA-N 280.331 2.749 30 40 CFEB C=CCn1c(SCc2cc(C)no2)nnc1C1CC1 40010032 NGZLXGDBJSYYEQ-UHFFFAOYSA-N 276.365 2.930 30 40 CFEB Cc1cccc2c3c(ccc12)C(O)=C([C@@H](C)CO)C(=O)C3=O 100091446 GRGPQNRHXNRJFL-JTQLQIEISA-N 296.322 2.811 30 40 CFEB biogenic,in-vitro CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CC1 36396187 BVTXXRGWIKVJIK-GOSISDBHSA-N 299.418 2.705 30 40 CFEB N#Cc1nc2cc(F)c(NC3CCCCC3)cc2nc1N 4745247 VTGBATHDOWLKFT-UHFFFAOYSA-N 285.326 2.967 30 40 CFEB COC(C)(C)C[C@@H](C)NC(=O)NCc1cccc(C#N)c1 96439197 DJTNADAHBJKAFC-GFCCVEGCSA-N 289.379 2.561 30 40 CFEB COc1ccc(OC)c(CNc2ncccc2C#N)c1 24212167 YQUGKSRZULEZCU-UHFFFAOYSA-N 269.304 2.583 30 40 CFEB N#Cc1c(N)nc(S)c(C#N)c1[C@H]1CC=CCC1 12586496 PDAVPMJBDFCLMA-QMMMGPOBSA-N 256.334 2.520 30 40 CFEB COc1cccc(/C=N/N2[C@@H](C)CCC[C@H]2C)c1O 3336335 XKGKUVRUWOMUGK-MTCUZCOSSA-N 262.353 2.998 30 40 CFEB COc1cccc(/C(O)=N/c2nc(-c3ccco3)n[nH]2)c1 13005722 HJMBDHOQZHVXCH-UHFFFAOYSA-N 284.275 2.710 30 40 CFEB N#Cc1ccc(OCC(=O)c2ccc(F)cc2)cc1 5108805 UIYMLNQYBJWRRK-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB C[C@@H](Nc1ccc(C#N)cn1)c1ccc2c(c1)OCO2 14318117 YCWUTCPEXFSOGE-SNVBAGLBSA-N 267.288 2.855 30 40 CFEB N#C/C(=N/Nc1ccc(Cl)c(Cl)c1)C(N)=S 17246970 GGZKJQJQNJBARN-NVNXTCNLSA-N 273.148 2.571 30 40 CFEB Cc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 97145183 YTKNTNPZSNJPBG-MRXNPFEDSA-N 297.314 2.920 30 40 CFEB COc1ccc2c(c1)CC/C(=C\c1ccnn1C)C2=O 98054550 KADHFBSVXBIUFE-FMIVXFBMSA-N 268.316 2.641 30 40 CFEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/O)o1 20259386 YFFJTSMVQMUMSF-NTUHNPAUSA-N 262.221 2.672 30 40 CFEB CCO/C(O)=N/c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 3852441 VSSHNTWLGRVBSL-UHFFFAOYSA-N 289.631 2.738 30 40 CFEB biogenic Cc1ccc(-c2ccc(C#N)c(SCC(N)=O)n2)cc1 33011093 VDFLUWJDZNKZGM-UHFFFAOYSA-N 283.356 2.506 30 40 CFEB CC(C)(C)c1nn(CC[C@H]2CCCO2)c(O)c1CCC#N 189316177 GYLAMRDSMWUMJW-GFCCVEGCSA-N 291.395 2.911 30 40 CFEB C(=N/n1cnnc1)\c1ccc(Sc2ccccc2)o1 33412935 QBVFJWVIGXBRSM-LZYBPNLTSA-N 270.317 2.905 30 40 CFEB C=CCc1cc(CNc2ncccn2)cc(OC)c1O 195573319 LGVUAEDBWZMXRP-UHFFFAOYSA-N 271.320 2.531 30 40 CFEB C=CCO[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96042352 VJPWHIJKVGRGQP-KFWWJZLASA-N 279.405 2.683 30 40 CFEB CC(C)[C@@H](O)C#Cc1ccccc1OC(F)(F)F 95633945 DBPKUHUPOSWZTE-NSHDSACASA-N 258.239 2.954 30 40 CFEB COC(=O)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 78551203 VXQKAPPTYFEICC-UHFFFAOYSA-N 293.754 2.854 30 40 CFEB [N-]=[N+]=Nc1nn2cnnc2c2[nH]c3ccccc3c12 16940894 CYNABKGBNONXIY-UHFFFAOYSA-N 250.225 2.701 30 40 CFEB Brc1ccc(/C=N\c2ncccn2)cc1 100056073 WEVHFUXNMFWXSL-NVNXTCNLSA-N 262.110 2.990 30 40 CFEB CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)cc1 24809361 QJRONSBMBMCUIB-UHFFFAOYSA-N 279.343 2.872 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)/C=C/c1c(F)cccc1F 58364016 IKAIGAZPERKRNT-FGEFZZPRSA-N 264.275 2.596 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCOc1ccccc1Cl 69518487 NPEOUFDZVIJSAF-NSHDSACASA-N 280.755 2.917 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)SC1=S 4478034 JSSHKXJJBWGMMJ-SOFGYWHQSA-N 296.329 2.575 30 40 CFEB CCCCc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1 6592962 WVESGPAYRAFIAN-UHFFFAOYSA-N 297.358 2.902 30 40 CFEB N#Cc1ccc(CN2CCCC[C@@H]2Cn2cccn2)cc1 71875202 FLDMKENCBURLDO-QGZVFWFLSA-N 280.375 2.809 30 40 CFEB CC(C)Oc1cccc(C(=O)O[C@H](C)C(C)(C)C#N)n1 89890905 PJWTWAMLXPUKBC-LLVKDONJSA-N 276.336 2.964 30 40 CFEB C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(N)=O 97085755 YGEZEHJRDOIDQM-NSHDSACASA-N 281.315 2.636 30 40 CFEB C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CSC)cc1 77466092 HGWJJLRCWNONKC-LBPRGKRZSA-N 292.404 2.914 30 40 CFEB C=CCC/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1 95396879 DJUVDKXSFVKWIS-UHFFFAOYSA-N 271.313 2.578 30 40 CFEB COCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 187677581 CSUCDYQDIJOWFI-CYBMUJFWSA-N 258.365 2.978 30 40 CFEB C/N=C(/NC)N[C@H]1CC2(CCCC2)Oc2ccccc21 195546267 NHRHDJYZFPQJJX-ZDUSSCGKSA-N 273.380 2.618 30 40 CFEB C=CCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184761 GZGMACXKYKNNSR-UHFFFAOYSA-N 291.738 2.625 30 40 CFEB CN(Cc1cc(C#N)ccc1F)C[C@H]1CCC=CO1 225578197 GYJSLYAZBBWDIG-CQSZACIVSA-N 260.312 2.822 30 40 CFEB COCC(=O)N(c1c(C)cccc1Cl)[C@@H](C)/C=N/OC 144284704 SUGKQRAOWWNYJH-AXLKIAQESA-N 298.770 2.649 30 40 CFEB O=C(Nc1ccccc1)[C@@]12C[C@@H]1C(=NO)c1ccccc1O2 299888327 FPXPIEZPAXSELW-CXAGYDPISA-N 294.310 2.655 30 40 CFEB CS(=O)(=O)O[C@H]1CCCC[C@@H]1c1ccccc1 1706518 QDTSLCFOVSACBX-OLZOCXBDSA-N 254.351 2.689 30 40 CFEB COc1ccc(/C=C/C(=O)c2ccc[nH]2)c(OC)c1OC 4185330 LUFGOMSNSFQLQG-SOFGYWHQSA-N 287.315 2.937 30 40 CFEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 5895859 BROPFBYZQYQOPP-LFIBNONCSA-N 292.335 2.528 30 40 CFEB C=C/C=C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4409618 BJHIKAWRMVMKTI-CTTHXGCLSA-N 262.225 2.643 30 40 CFEB COc1cccc(C(=O)COc2ccc(C#N)cc2)c1 11036032 PIGFTLHGLMFFOT-UHFFFAOYSA-N 267.284 2.829 30 40 CFEB C=CC[C@@H]1CC[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C 34370833 VGDATZBYQWJPSE-MNOVXSKESA-N 269.341 2.504 30 40 CFEB Cc1ccc2c(c1)N/C(=C/C(=O)C(C)(C)C)C(=O)O2 100820642 PTTMJUBWXQMNAE-DHZHZOJOSA-N 259.305 2.825 30 40 CFEB O=S(=O)(/N=C(\S)NC1CCCCC1)c1ccccc1 134376 KXTQOXUYGWFXGV-UHFFFAOYSA-N 298.433 2.583 30 40 CFEB C=C(C)CNC(=S)Nc1cc(OC)ccc1C 6267406 JVCBPHLGQGNDOA-UHFFFAOYSA-N 250.367 2.866 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C/c1ccccn1 1304983 UFZAMKZXLBAXPF-MHWRWJLKSA-N 287.392 2.892 30 40 CFEB C=CCNC(=O)[C@@H](C)Sc1nccn1-c1ccccc1 25967965 CCJYFTXRQBXFQX-GFCCVEGCSA-N 287.388 2.655 30 40 CFEB N#CCSc1ncnc2c1cnn2-c1ccc(F)cc1 1891257 JOCNRNKNYZLOGE-UHFFFAOYSA-N 285.307 2.570 30 40 CFEB N#Cc1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1 37749053 OJBHGECNGBXSOT-MRXNPFEDSA-N 270.307 2.521 30 40 CFEB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C#N 3424614 HMCLCSQAVDWFFE-SNVBAGLBSA-N 258.350 2.888 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2nc3ccccc3[nH]2)c1 4786055 ZCLFUISNDXTDOR-OVCLIPMQSA-N 282.259 2.927 30 40 CFEB CC(C)(C)/N=C(/S)NCc1ccc2c(c1)OCO2 8694150 CQNPXCUJWMTUQT-UHFFFAOYSA-N 266.366 2.589 30 40 CFEB Cc1cccc(OCC(=O)N(CCC#N)C(C)C)c1 71186272 GCXASEACTBYICT-UHFFFAOYSA-N 260.337 2.525 30 40 CFEB O=C(/C=C/c1csnn1)c1c(Cl)nc2sccn12 76040288 WOQRNZQZGFLMAB-OWOJBTEDSA-N 296.764 2.797 30 40 CFEB CN(CCOc1ccc(Cl)cc1)c1nccnc1C#N 78732811 MUVIHCODZRVRKG-UHFFFAOYSA-N 288.738 2.517 30 40 CFEB Cc1cc(NCc2cccc(C#N)c2)ccc1C(N)=O 79016809 GGEFFHXTWTYGOJ-UHFFFAOYSA-N 265.316 2.578 30 40 CFEB N#Cc1ccc(OC2CN(C(=O)c3cccs3)C2)cc1 130272454 OKRYJXVPTGMUFN-UHFFFAOYSA-N 284.340 2.523 30 40 CFEB CCn1c(C#N)cc(N)c1Oc1ccc(C(=O)OC)cc1 225887116 WNEURMSTMZWJKU-UHFFFAOYSA-N 285.303 2.541 30 40 CFEB COc1ccc(NC(=O)C2(C#N)CCCC2)cc1[N+](=O)[O-] 97238667 UYZTVKZPRIYWTG-UHFFFAOYSA-N 289.291 2.626 30 40 CFEB Br/N=C1/C=CC=C/C1=N\Br 17130227 PMAHLJUGWPVBOX-VTBWALSUSA-N 263.920 2.614 30 40 CFEB Cc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)c(C)o1 3254529 JVHOLOWATZUKRV-UHFFFAOYSA-N 298.298 2.564 30 40 CFEB C[C@@H]1C2=C([C@@H]3CC[C@@H]2C3)[C@H](C)[C@@H]2C(=O)C=CC(=O)[C@H]12 104295472 MFWXBRNFSDCQBU-WNJGCGSESA-N 256.345 2.939 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(C)c(C)cc2C)C(=O)O1 102500284 IHSYLMREHRFCQP-RTRPANQVSA-N 298.338 2.840 30 40 CFEB CCO/N=C(/O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 49346401 MGXXPTMKPPUDKM-NSHDSACASA-N 282.727 2.601 30 40 CFEB C=CCN1C(=O)N/C(=C\c2ccc(OC(C)C)cc2)C1=O 14009932 LVXOHAUIGBKBNP-UVTDQMKNSA-N 286.331 2.553 30 40 CFEB CC[C@@H](C[C@@H](C)CO)Nc1cccc(F)c1C#N 76084109 CRDMMSJXANOKRF-MNOVXSKESA-N 250.317 2.906 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc3c(c2)COCO3)c1 78964336 FKYRXZWIQXKWEA-UHFFFAOYSA-N 280.283 2.677 30 40 CFEB Oc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1 36476344 IIKOSSZBVGWABG-GDNBJRDFSA-N 271.345 2.713 30 40 CFEB C=C(Br)CN1CCCC[C@@H]1[C@@H](O)CC 76325278 GLYRTCCVBLPCBX-MNOVXSKESA-N 262.191 2.520 30 40 CFEB N#CCc1cccc(-c2nc(-c3ccccn3)no2)c1 78773891 ZYPWJBNGNABFJK-UHFFFAOYSA-N 262.272 2.865 30 40 CFEB C=CCNC(=S)Nc1nccc(-c2cccs2)n1 225184336 QKBOFKRHPYOFMZ-UHFFFAOYSA-N 276.390 2.678 30 40 CFEB CCc1nc(N)nc(Cc2ccccc2Cl)c1C#N 223698015 QZNTWXICWODEPB-UHFFFAOYSA-N 272.739 2.737 30 40 CFEB N/C(=N\O)c1sc(-c2cccnc2)nc1-c1ccccc1 98071541 XYSMWYBSBQJLBN-UHFFFAOYSA-N 296.355 2.967 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](N3CCCCCC3)C2)cn1 91482563 WGDUTEYURKZGBX-QGZVFWFLSA-N 284.407 2.798 30 40 CFEB Fc1cccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095917 SGBBFBKDHSSXGN-UWVGGRQHSA-N 250.191 2.845 30 40 CFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 96039590 ZAHICDYSYFJATM-SJORKVTESA-N 291.391 2.853 30 40 CFEB CCCNc1nn(-c2cccc(C(F)(F)F)c2)nc1C#N 256046709 HPJPPOKYMQDQLK-UHFFFAOYSA-N 295.268 2.980 30 40 CFEB Cc1ccc(S(=O)(=O)OCCc2scnc2C)cc1 4615082 WOCSDTQNUUXKJH-UHFFFAOYSA-N 297.401 2.708 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(C#N)cc1 3223345 FFQKHTCXCMRKBE-DOMZBBRYSA-N 272.348 2.632 30 40 CFEB COc1ccc(C(=O)C[N+]2=C(C)c3ccccc3CC2)cc1 1825712 LFQLTVBCOREVDT-UHFFFAOYSA-N 294.374 2.956 30 40 CFEB biogenic C=C[C@H](O)C#CC#C/C=C/[C@@H](O)CCCCCCC 1858767 DSVMWGREWREVQQ-LHGWUTHLSA-N 260.377 2.818 30 40 CFEB biogenic,in-vitro CCOC(=O)c1ccc(C#N)c2nc3ccccc3n12 12601573 BFXXDADLDARYDY-UHFFFAOYSA-N 265.272 2.536 30 40 CFEB N#Cc1ccc(Sc2nc(-c3ccccc3)n[nH]2)nc1 12607326 ZJQUYPCRUUFODG-UHFFFAOYSA-N 279.328 2.890 30 40 CFEB COc1ccc(CNCc2cccc(C#N)c2)cc1 11037192 AJECYRRJZMXCDD-UHFFFAOYSA-N 252.317 2.857 30 40 CFEB O=C1/C(=C/c2cccc(O)c2)Oc2cc(O)ccc21 11990412 ZVSCXJXQVYHWIJ-AUWJEWJLSA-N 254.241 2.714 30 40 CFEB N#C[C@H](C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cn1 12480553 YUXDMNOQCYGFAL-NSHDSACASA-N 297.280 2.720 30 40 CFEB in-vitro CCOC(=O)/C(C#N)=N\Nc1cccc(Cl)c1C 13940210 JLTKZFXEXVXEDJ-WJDWOHSUSA-N 265.700 2.503 30 40 CFEB COc1ccc(/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 6736427 KGBIHNRIPCXJOB-UHFFFAOYSA-N 271.276 2.640 30 40 CFEB CCCC[C@@H](CC)CC(=O)NC1(C#N)CCN(C)CC1 71910150 XJRJKQMYZAQXED-CQSZACIVSA-N 279.428 2.697 30 40 CFEB C=CCN(C1CC1)S(=O)(=O)c1ccc(C)cc1Cl 95459008 OQKMZINCKIRBPH-UHFFFAOYSA-N 285.796 2.988 30 40 CFEB CC(C)N(CCC#N)C(=O)/C=C/c1ccc2c(c1)OCO2 69489836 NKSXZWLKNSGRMF-FNORWQNLSA-N 286.331 2.579 30 40 CFEB COC(=O)c1cccc(OCCOc2ccc(C#N)cc2)c1 40159342 ILINPCBKQZKRQD-UHFFFAOYSA-N 297.310 2.803 30 40 CFEB Cc1ccnc([C@H](Nc2cccc(C#N)n2)C2CC2)n1 92692513 XHCWPKXUOKCBJE-CQSZACIVSA-N 265.320 2.615 30 40 CFEB C#CC1(NC(=S)NC(=O)c2ccccc2)CCCCC1 5500198 KQKKQGNVZUOBBB-UHFFFAOYSA-N 286.400 2.627 30 40 CFEB CCCOc1ccc(/C=N\N=C(/S)NCC)cc1 12411253 XXNBZKXKYSXYSK-GDNBJRDFSA-N 265.382 2.705 30 40 CFEB CCCCOc1cncc(B2OC(C)(C)C(C)(C)O2)c1 206181901 QWVVEQPBOSQWSL-UHFFFAOYSA-N 277.173 2.560 30 40 CFEB COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1O 10215935 HPSPCMSCDNHZJM-CHHVJCJISA-N 284.267 2.723 30 40 CFEB biogenic,in-vitro C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H](C)O1 40526859 FSMGBTFVYHGASF-UWVGGRQHSA-N 293.754 2.853 30 40 CFEB COCCCNc1nc(C)c2c(c1C#N)CCCC2 20590978 WQBABUPKVTVOOE-UHFFFAOYSA-N 259.353 2.589 30 40 CFEB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 517301 SLAKKDBPHYOCQW-CYBMUJFWSA-N 299.370 2.942 30 40 CFEB biogenic Cn1cc(Cl)cc1C(=O)OCc1ccc(C#N)cc1 22002909 HIZJYXUOGCCBEO-UHFFFAOYSA-N 274.707 2.907 30 40 CFEB N#C[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O 1400318 LHWGJYVSXNJPEY-LURJTMIESA-N 289.644 2.630 30 40 CFEB COc1ccc(CCNc2oc(C)nc2C#N)cc1 27664020 OAFCGLSMLUFDNV-UHFFFAOYSA-N 257.293 2.518 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C1CCCCC1)CCO2 107720870 XVCXEBOQXFEHBP-BZUAXINKSA-N 265.397 2.754 30 40 CFEB COc1ccc2c(c1)CCc1cc(C(=O)NCC#N)sc1-2 60336380 OFKUVZRCKOXBIQ-UHFFFAOYSA-N 298.367 2.776 30 40 CFEB COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1OC 47380207 UKPNPKIHGFGGDH-FNORWQNLSA-N 286.331 2.642 30 40 CFEB C=C[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 100741667 JBTQEJHRGJHHHA-XVLPMQGWSA-N 264.365 2.969 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1cccnc1Cl 3445149 JGEKOPGEVPHOMR-UHFFFAOYSA-N 287.706 2.624 30 40 CFEB Cc1cc(Cl)ccc1OCc1n[nH]c(SCC#N)n1 14111000 VYGOYJVNEMYAFU-UHFFFAOYSA-N 294.767 2.961 30 40 CFEB CCc1nn(Cc2ccc(Cl)cc2)c(N)c1C#N 127795858 ZNSWQCMRQUNUQP-UHFFFAOYSA-N 260.728 2.601 30 40 CFEB N#Cc1ccccc1NC(=O)CC(=O)c1ccccc1 35586319 IHVSHLGEPDPBLC-UHFFFAOYSA-N 264.284 2.770 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC=CCC1 48541041 MQVFEXANMGFTIA-GXTWGEPZSA-N 274.364 2.500 30 40 CFEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C#N)c1C 223711618 MHYRFJIQULEVGV-UHFFFAOYSA-N 271.276 2.883 30 40 CFEB C#CCC1(C(=O)N[C@@H]2CCc3ccccc32)CCC1 95444774 IEYYDEZTDZZKPH-OAHLLOKOSA-N 253.345 2.984 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCCCC2)nc1 11101808 SXCGDRPJEUHIIP-UHFFFAOYSA-N 276.409 2.544 30 40 CFEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/n3cnnc3)cc21 208201289 XYYZPSJICPEVEO-BFNDQCEFSA-N 283.379 2.882 30 40 CFEB Cc1cc(F)ccc1NS(=O)(=O)c1cccc(C#N)c1 6315339 LWGZVTAMRDTRFG-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB CC(=O)C1=C(C)O[C@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 100789859 KEKFJLSGEDMKDX-OLZOCXBDSA-N 281.695 2.920 30 40 CFEB Cc1cc(C)cc(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)c1 54291110 QMOQRLNOFRMAIU-KRWDZBQOSA-N 285.391 2.548 30 40 CFEB COc1ccc(F)cc1C(=O)Nc1ccc(C#N)cc1 23395228 UIFBXRBOCQGAOK-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB N#C[C@@H](C(N)=O)[C@H](CC(=O)c1ccccc1)c1ccccc1 1581427 BSUBFGTXOWTBKV-HZPDHXFCSA-N 292.338 2.668 30 40 CFEB O=C1c2ccccc2N[C@H](c2cnc3ccccc3n2)N1O 213925 KQTRFZPOCHAMMM-HNNXBMFYSA-N 292.298 2.586 30 40 CFEB CC1(C)Cc2ccccc2/C(=N/N=C/c2ccncc2)N1 334242 FWSJXMRPDSCEIH-XDHOZWIPSA-N 278.359 2.787 30 40 CFEB S=C(NN=C1CCSCC1)NC1CCCCC1 45921682 IYAJRKUBSIDQLM-UHFFFAOYSA-N 271.455 2.666 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccccc1 32830802 XENIWERYMMOVIK-RHSMWYFYSA-N 287.407 2.561 30 40 CFEB CC1(C)C/C(=N/O)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)N1 33411325 VGFIOZVWVYMGPY-RAKLLCQZSA-N 276.380 2.717 30 40 CFEB CC/N=C1\S/C(=C/c2ccc(O)cc2)C(=O)N1CC 27530330 MCDUIOZNARXAJM-GQDMKGGVSA-N 276.361 2.704 30 40 CFEB CC(C)c1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)[nH]n1 58158961 KMNKGQGGQHMFPK-NSHDSACASA-N 298.346 2.811 30 40 CFEB CCC[C@H](C#N)NC(=O)CCCC(=O)c1ccc(F)cc1 58380012 BXTNDVNBLUMQLV-CQSZACIVSA-N 290.338 2.987 30 40 CFEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)OCO3)cc1 3418057 WJEPFTCDSFOVGC-UHFFFAOYSA-N 281.267 2.549 30 40 CFEB CC(=O)/C(C)=N/OC(=O)c1cc(F)c(F)cc1Cl 5612734 YUFXEPNNGHKLCO-PJQLUOCWSA-N 275.638 2.740 30 40 CFEB Cc1ccc(C(=O)OCC2(C#N)CCOCC2)s1 96003067 VOYGWVCTXNYPRY-UHFFFAOYSA-N 265.334 2.534 30 40 CFEB CC(=O)c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 75140821 LIXASQJEWFHDFD-UHFFFAOYSA-N 297.318 2.643 30 40 CFEB O=C1Nc2c(F)cccc2/C1=N/Nc1ccccc1 223758442 JHYNLQLOCRMFEZ-UHFFFAOYSA-N 255.252 2.594 30 40 CFEB COc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)c(OC)c1 95095967 SRZFETUMQDEXCH-SKDRFNHKSA-N 292.253 2.723 30 40 CFEB C=CCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OCC 96193639 TXIUVTCCUGKZRQ-LCYFTJDESA-N 287.315 2.966 30 40 CFEB N#Cc1ccccc1CN1CC[C@@H](CNc2ccccn2)C1 97200498 CIQBREGBWRNAJE-HNNXBMFYSA-N 292.386 2.887 30 40 CFEB CC(C)CO[C@H]1[C@H]2CC[C@H]1N(c1ccc(C#N)cn1)C2 248139759 BMJDCKJTKYPCRW-LZWOXQAQSA-N 271.364 2.593 30 40 CFEB CN(C)/C=C(/Oc1c(Cl)cccc1Cl)C(=O)C=O 97447415 COSMCEGTYONKDT-IZZDOVSWSA-N 288.130 2.543 30 40 CFEB Cc1ocnc1C(=O)OC[C@H](C#N)Cc1cccs1 89293625 ZMTLTWFHRQSWBU-JTQLQIEISA-N 276.317 2.584 30 40 CFEB Cc1ccc2[nH]c(=O)c(/C=N/c3ccccn3)c(O)c2c1 5687261 POLDPIXLDMZFNH-GIJQJNRQSA-N 279.299 2.688 30 40 CFEB C#CCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 19521729 POCXZJGGJVSAHN-UHFFFAOYSA-N 299.374 2.506 30 40 CFEB CC(=O)C/C(C)=N/CCCC/N=C(\C)CC(C)=O 104327379 UDVOETZXBOGXTH-JOBJLJCHSA-N 252.358 2.647 30 40 CFEB CC(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2)ccc1F 24993073 STNXEUZEMSZUOS-UHFFFAOYSA-N 297.289 2.908 30 40 CFEB C=CCNC(=O)CSc1nc2ccccc2n1C(F)F 12531662 QQXNCUSGJGYGPK-UHFFFAOYSA-N 297.330 2.826 30 40 CFEB O=C(C[n+]1cccc2cccc(O)c21)c1ccccc1 1595239 YOTIHEBHJNFLMN-UHFFFAOYSA-O 264.304 2.716 30 40 CFEB CNc1nnc(Sc2nc(C)cc(C)c2C#N)s1 12554204 AJIQWXBDFIXKDS-UHFFFAOYSA-N 277.378 2.615 30 40 CFEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccco2)c1 6362146 NXWMVANPNHMODD-BQYQJAHWSA-N 291.328 2.547 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccccc1O 6673775 RVLZUFRTUWBZIX-MHWRWJLKSA-N 270.288 2.927 30 40 CFEB Cc1cc(F)c(C(=O)N(C)c2ncccc2C#N)cc1F 97085617 OMVWWAGHHNJHSJ-UHFFFAOYSA-N 287.269 2.817 30 40 CFEB Cc1ccc(-c2nc(CNc3nccnc3C#N)co2)cc1 75065396 ZHOSENCKUBSOGH-UHFFFAOYSA-N 291.314 2.924 30 40 CFEB Cc1c(N)cc(C#N)n1CCOc1ccc(Cl)cc1 225862807 REGXISKNOJIBTG-UHFFFAOYSA-N 275.739 2.983 30 40 CFEB C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccoc1)CCO2 96051882 OHAKEWWWFYFKPO-DLBZAZTESA-N 291.391 2.853 30 40 CFEB C#CCOc1c(C(=O)O)oc2ccc(Br)cc12 96510844 TWNJOBPJSHNWEP-UHFFFAOYSA-N 295.088 2.906 30 40 CFEB CC(C)c1nc2c(n1C)CCN(CCCCC#N)C2 69512465 JPFYRLFQHCWKQI-UHFFFAOYSA-N 260.385 2.595 30 40 CFEB N#CCCN(Cc1ccc(F)cc1F)C1CCOCC1 84863390 AJHORNCKDQBNKC-UHFFFAOYSA-N 280.318 2.859 30 40 CFEB N#Cc1cnc(N[C@H]2CCCC[C@H]2CO)c(Cl)c1 96418718 REOOCEQQGKYCFC-JQWIXIFHSA-N 265.744 2.570 30 40 CFEB N#Cc1c(-c2cccc(Cl)c2)nc2n(c1=O)CCS2 14608390 XULBYZLRVVFPAD-UHFFFAOYSA-N 289.747 2.541 30 40 CFEB CCOC(=O)[C@@H](C)Sc1nc(CC)c(C)cc1C#N 49858 NEUQAYJEUFZVQY-SNVBAGLBSA-N 278.377 2.868 30 40 CFEB O=C(C[n+]1ccsc1Br)c1ccccc1 1579170 WPQXRUMTHLUXBK-UHFFFAOYSA-N 283.170 2.681 30 40 CFEB CS(=O)(=O)O[C@@H]1CCCC[C@H]1c1ccccc1 1706517 QDTSLCFOVSACBX-QWHCGFSZSA-N 254.351 2.689 30 40 CFEB CN1/C(=C\C(=O)C[n+]2ccccc2)C(C)(C)c2ccccc21 32666067 XEMSHVNGLGLMSM-AQTBWJFISA-N 293.390 2.855 30 40 CFEB C#CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 32740757 IWMUPPZRIJWJGS-UHFFFAOYSA-N 276.295 2.858 30 40 CFEB CC/N=c1/scc(C)n1/N=C/c1ccc(C#N)cc1 103460845 OQZPZQRGPCWTJT-QXXVKRGPSA-N 270.361 2.533 30 40 CFEB COC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1C 24865075 XLQFIMGAXXMHMI-UHFFFAOYSA-N 294.310 2.906 30 40 CFEB S=C(N/N=C1/C[C@H]2CC=C[C@H]12)NC1CCCCC1 34903924 UFVKCCIMTCMUOY-FZCVSMTESA-N 263.410 2.735 30 40 CFEB CCN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 58055763 KPKPHFVJODZKSK-GFCCVEGCSA-N 288.351 2.610 30 40 CFEB C=C(C)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 48374202 GIVFOYWUCSNSSL-UHFFFAOYSA-N 274.412 2.607 30 40 CFEB C=C1c2ccc3c(c2CC[C@@H]1O)C(=O)C(=O)c1c(C)coc1-3 6072088 RUJKJFRMCYQMLH-ZDUSSCGKSA-N 294.306 2.954 30 40 CFEB biogenic,in-vitro N#Cc1ccc(OCCCc2cn[nH]c2)c(Cl)c1 71916375 HZCHMYKQZAOMGD-UHFFFAOYSA-N 261.712 2.946 30 40 CFEB N#Cc1cccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)c1 79634761 YMBGKHQSRCCRPE-MRXNPFEDSA-N 298.390 2.650 30 40 CFEB O=[N+]([O-])c1ccc2cnn([C@H]3/C(=N/O)[C@H]4CC[C@@H]3C4)c2c1 35191328 QIQAHKJQTWPJMH-SFAQGPPSSA-N 286.291 2.746 30 40 CFEB COc1ccc(/C=N/[S@](=O)C(C)(C)C)cc1OC 35905264 MICGUYCQMKQBFY-MXHVWWQHSA-N 269.366 2.585 30 40 CFEB Cc1nc(C#N)c(NC[C@H](c2ccsc2)N(C)C)o1 72238611 YFXQETZIHOBXCS-GFCCVEGCSA-N 276.365 2.631 30 40 CFEB C=CCOC(=O)c1cc(N)ccc1N1CCCC[C@@H]1C 226278791 MHXWLAILUBLDSO-LBPRGKRZSA-N 274.364 2.990 30 40 CFEB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(C#N)c2)C1 47415977 WIBXUZKLJOFHLA-GASCZTMLSA-N 299.418 2.656 30 40 CFEB O=C1CCCC2=C1[C@H]([C@@H]1CC=CCC1)Nc1nonc1N2 12389403 XHKCYSLHXHASQQ-RNCFNFMXSA-N 286.335 2.639 30 40 CFEB CN(Cc1ccc(Br)o1)C[C@@H](C#N)CCC#N 30536923 BKGKXMWLZHVVBD-SNVBAGLBSA-N 296.168 2.917 30 40 CFEB O=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccccc1)C2=O 2339894 KAAZONMQZCIBTC-ZSOIEALJSA-N 278.263 2.847 30 40 CFEB C=CCN1C(=O)COc2ccc(-c3cscn3)cc21 31869904 BHBWISZZDKBAPF-UHFFFAOYSA-N 272.329 2.722 30 40 CFEB C[C@@H]1C/C(=N\NC(=S)NC[C@@H]2CCCO2)CC(C)(C)C1 21763007 XNDXWFLGUJGCRH-YZEBMKIASA-N 297.468 2.832 30 40 CFEB Cc1cc(NC(=O)Nc2ccc(OCC#N)cc2)no1 24689566 KCEZEVSADDRKSQ-UHFFFAOYSA-N 272.264 2.529 30 40 CFEB N#Cc1cccc(C(=O)COCc2ccccc2)c1 309952012 GRFCBDOEXVBZMI-UHFFFAOYSA-N 251.285 2.958 30 40 CFEB COC(=O)[C@H]1OC1(c1ccc(F)cc1)c1ccc(F)cc1 39045943 WUHQBDBGCGCQQM-CQSZACIVSA-N 290.265 2.780 30 40 CFEB N#Cc1nc(N[C@H](CO)Cc2ccccc2)ccc1Cl 78869064 DKXVYVIAIHMGPX-LBPRGKRZSA-N 287.750 2.622 30 40 CFEB C=CC[C@H]1CC[C@H](C(=O)OC)N1C(=O)OC(C)(C)C 34370832 VGDATZBYQWJPSE-WDEREUQCSA-N 269.341 2.504 30 40 CFEB CCCCc1nn(Cc2ccccc2F)c(N)c1C#N 225840826 WFLMOLNKPJIWLK-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)CCCN=[N+]=[N-])O[C@@H]1C2 199592124 SPQHOYIFLUFJGD-HNRZYHPDSA-N 292.192 2.672 30 40 CFEB N#Cc1cccnc1N[C@H]1CCCN(c2ccccc2)C1=O 75138762 RYPWLVKNYZFLCS-HNNXBMFYSA-N 292.342 2.561 30 40 CFEB C=C1[C@H]2[C@H](CC(=O)O)O[C@H](O)[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 1534676415 PBMBHKUNIJQHFJ-AMVUCWHTSA-N 294.391 2.669 30 40 CFEB COc1ccc([C@]23CCC(=O)C=C2N(C)CC3)cc1OC 14589285 XPUOZJJNPJXFTD-QGZVFWFLSA-N 287.359 2.524 30 40 CFEB biogenic,in-vitro C#CCN1C(=O)S/C(=C\c2ccccc2OCC)C1=O 15012723 FTMILJYQBIBNCW-RAXLEYEMSA-N 287.340 2.755 30 40 CFEB Cc1nc(NC[C@H](CC(=O)O)C2CC2)c(Cl)cc1C#N 685938912 AYIRSTAMTYBRGK-NSHDSACASA-N 293.754 2.828 30 40 CFEB CC[C@@](C#N)(C(=O)O)C1CC(C)(C)NC(C)(C)C1 72434057 AUMQGXZPLBGZKO-AWEZNQCLSA-N 252.358 2.548 30 40 CFEB N#Cc1cccc(C(=O)c2ccccc2CN2CCC2)c1 2515602 GFNLRXHOCPIEPJ-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB O=C1C=C(N2[C@@H]3[C@@H]4CC[C@H](C4)[C@H]32)C(=O)C=C1c1ccccc1 104185143 BEHXZHRCOQPQPR-YTFOQLDISA-N 291.350 2.588 30 40 CFEB COc1cccc(/C=C/C(=O)c2cn(C)nc2C)c1OC 47380203 RVOWSDLNFXNQPB-CMDGGOBGSA-N 286.331 2.642 30 40 CFEB COc1ccc([C@H](CNc2ncccc2C#N)N(C)C)cc1 36226919 ISALZJJZXINPSP-INIZCTEOSA-N 296.374 2.677 30 40 CFEB C/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(N)cc1 4688461 QJMVYYJGFTWDCS-YVLHZVERSA-N 269.304 2.803 30 40 CFEB COCCN/C(C)=C/C(=O)c1ccc(Cl)cc1 6652015 DCBFWSWGXDMPQM-MDZDMXLPSA-N 253.729 2.663 30 40 CFEB CCOC(=O)c1nnc(/C=C/c2ccc(C#N)s2)s1 97165340 NSZNENORHPJZKX-AATRIKPKSA-N 291.357 2.818 30 40 CFEB Cc1ccn(Cc2ccccc2C(C)(C)C#N)c(=O)c1C#N 97114915 LLGAWDAIXZGHKI-UHFFFAOYSA-N 291.354 2.878 30 40 CFEB CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 97111090 OZZDEXYJXNPOQV-CABCVRRESA-N 262.328 2.745 30 40 CFEB C=CCOc1cccc(-n2nc3cc(C)c(N)cc3n2)c1 216871208 PDZNCUOPSIFRFW-UHFFFAOYSA-N 280.331 2.876 30 40 CFEB CCCOc1ccc(NC(=O)C(F)(F)F)c(C#N)c1 225782657 FYYUXVXSKMONCE-UHFFFAOYSA-N 272.226 2.848 30 40 CFEB N#Cc1cc(Br)cnc1N1C[C@H]2CCC[C@H]2C1 297587949 TYCBWQVOYPFYSU-AOOOYVTPSA-N 292.180 2.952 30 40 CFEB C[C@](C#N)(NN[C@@](C)(C#N)c1ccccc1)c1ccccc1 19170653 AVHSUXXHYWTSRW-HDICACEKSA-N 290.370 2.959 30 40 CFEB Cc1noc2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 6545668 GNRSZZAMGLDIFJ-AWEZNQCLSA-N 281.315 2.943 30 40 CFEB CN(C)/C=C1\C(=O)ON=C1c1ccc(Cl)cc1Cl 33305617 FRXBJCFCAMIPEW-TWGQIWQCSA-N 285.130 2.700 30 40 CFEB COc1ccccc1N/C=C1\C(=O)Oc2ccccc2C1=O 100856248 QEGYOBZMPZMPCQ-BENRWUELSA-N 295.294 2.793 30 40 CFEB N#Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)CC2)cc1 100449875 KSHPJPJXUBRPEF-JOCQHMNTSA-N 257.289 2.632 30 40 CFEB N#CCCC(C#N)(CCC#N)c1ccc([N+](=O)[O-])cc1 1734972 KNAXGTWWNINUMR-UHFFFAOYSA-N 268.276 2.964 30 40 CFEB C#CCOc1c(C)cc(Br)cc1C=O 8549111 VSESTTRAYJEVJK-UHFFFAOYSA-N 253.095 2.582 30 40 CFEB Cc1cc(O)nc(N/N=C\C=C\c2ccccc2)n1 8617541 PDBMAISMFGGOFJ-OTLSHVCWSA-N 254.293 2.602 30 40 CFEB C[C@@H](C/N=C(/N)Nc1ccccc1)CN1CCCCC1 52047736 ZDRNCIRTUCLNPZ-AWEZNQCLSA-N 274.412 2.535 30 40 CFEB COc1nc2sccn2c1/C=N/OCc1ccccc1 32891473 JIODYTHDQHDHNH-OQLLNIDSSA-N 287.344 2.955 30 40 CFEB Cc1cc2nnc(SCC#N)n2c2ccccc12 1904073 ZDNNBEPJVAVYRQ-UHFFFAOYSA-N 254.318 2.807 30 40 CFEB Cc1[nH]c2ccccc2c1-c1csc(N=C(N)N)n1 27632825 MGPGXJMPBOIORZ-UHFFFAOYSA-N 271.349 2.505 30 40 CFEB C=CCNC(=O)CSCc1csc(-c2ccco2)n1 45024295 WGTDXFXCHZQXHS-UHFFFAOYSA-N 294.401 2.939 30 40 CFEB CN(C)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccsc1 13011225 LLACZLOLYZWFDW-HNNXBMFYSA-N 299.399 2.652 30 40 CFEB Cc1c(/N=C/c2cccnc2)c(=O)n(-c2ccccc2)n1C 13122920 AWVOIPJLUITJBA-XDHOZWIPSA-N 292.342 2.630 30 40 CFEB C#CCN1C(=O)c2ccccc2N=C2c3ccccc3CN21 4753833 QGKLEFYGMBFCLD-UHFFFAOYSA-N 287.322 2.585 30 40 CFEB Cc1cc(C)c(C#N)c(SCc2nnc(C)o2)n1 5642086 ZRDGMFRAXOLZCV-UHFFFAOYSA-N 260.322 2.554 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)Cc1ccon1 89960225 IFJGSDBFUJPQJD-UHFFFAOYSA-N 284.319 2.549 30 40 CFEB C[C@@H](OC(=O)c1cc(C#N)cn1C)c1nc2ccccc2o1 97081460 YYFBCRUEZSZVTE-SNVBAGLBSA-N 295.298 2.956 30 40 CFEB Cc1ccn(Cc2ncc(-c3cccs3)o2)c(=O)c1C#N 97114942 JUJJFKGZHRHIFX-UHFFFAOYSA-N 297.339 2.793 30 40 CFEB CC(C)(CCC#N)CN[C@@H]1CCN(c2ncccc2F)C1 95990145 HZGBQRKYAZAWLH-CYBMUJFWSA-N 290.386 2.719 30 40 CFEB COc1ccc(C#N)c([S@](=O)Cc2ccccc2)c1 6727867 AZRGBUZMRDSAHD-IBGZPJMESA-N 271.341 2.875 30 40 CFEB C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC 195577754 MIKVUMSUBZXPKT-DZGCQCFKSA-N 289.375 2.842 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1cc(C)c(C)o1 96184376 MKZOMKNSTVUTHZ-JKSUJKDBSA-N 260.381 2.731 30 40 CFEB N#CC1(c2nc(-c3ccncc3)no2)CCCCC1 96449320 RVAWGTPOYBTLNI-UHFFFAOYSA-N 254.293 2.857 30 40 CFEB Cc1nc(C(C)(C)C)sc1C(=O)O[C@@H](C)C#N 95957161 VOXSDEFFSFHKJJ-ZETCQYMHSA-N 252.339 2.818 30 40 CFEB CCOC1(NC(=O)c2ccccc2C)C(C)=CC(=O)C=C1C 16779555 XDCZUIQLVLSJTN-UHFFFAOYSA-N 299.370 2.933 30 40 CFEB C/C(=C\C(=O)N(C)[C@@H](C)CC#N)c1ccc(F)cc1 209776244 GMTBTJIQGHAVBC-IIANPFDCSA-N 260.312 2.990 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)C[C@@H](O)CC(=C)[C@@H]2C1 252506042 OJYAVFSVHFLUKN-UKTARXLSSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro N#Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 7306094 OKIPXDQIZRAGRQ-UHFFFAOYSA-N 298.367 2.700 30 40 CFEB C=CCCCCCCCCC(=O)NCCN(C)C 4983962 RYYMATVCGPEENH-UHFFFAOYSA-N 254.418 2.971 30 40 CFEB N/C(S)=N/Cc1ccccc1[C@@H](O)c1ccccc1 6618287 LDRIYHLFTYSBJG-AWEZNQCLSA-N 272.373 2.513 30 40 CFEB CCc1ccccc1/N=C/c1ccc(OCC(N)=O)cc1 561174 HABXJBIIGCMGGR-YBFXNURJSA-N 282.343 2.864 30 40 CFEB COc1cc(CNC(=O)c2cccc(C#N)c2)cc(OC)c1 36390877 BFWUBBGDVRDSBD-UHFFFAOYSA-N 296.326 2.505 30 40 CFEB N#CCOC(=O)c1ccccc1NC(=O)c1ccccc1 3350699 CUBJPNUVCPVDBG-UHFFFAOYSA-N 280.283 2.619 30 40 CFEB N#Cc1ccccc1NC(=O)C1=Cc2ccccc2OC1 5034359 UVCKERIODBWALF-UHFFFAOYSA-N 276.295 2.973 30 40 CFEB CCCC[C@H]1S/C(=N/N=C/c2cccs2)NC1=O 4567302 JILUSASYHYQUNC-SEEODLKFSA-N 281.406 2.860 30 40 CFEB N#C[C@H]1CCCC[C@@H]1OC(=O)CCc1nc(C2CC2)no1 76090718 VCLFECHVMIDRJY-NEPJUHHUSA-N 289.335 2.505 30 40 CFEB C=CCn1c(CC[C@H](O)COCCCCC)n[nH]c1=S 5825012 YNJYJFXTTAVMHE-LBPRGKRZSA-N 299.440 2.627 30 40 CFEB Cc1nnc([C@@H](C)O/N=C(/N)Cc2ccccc2Cl)o1 71913939 JXPKICQDBBFOJG-MRVPVSSYSA-N 294.742 2.624 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 38714956 MWUKANSKVWFCOI-UHFFFAOYSA-N 291.310 2.695 30 40 CFEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/C(=O)c1ccccc1 31760240 WUPBHEFJISKVQN-LCYFTJDESA-N 294.266 2.813 30 40 CFEB C=CCOc1ccc(/C=N/n2c(CC)n[nH]c2=S)cc1 45925828 XELCUGKAZOFZHW-XNTDXEJSSA-N 288.376 2.950 30 40 CFEB Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 40462623 AGUPKKXSRAQOBT-INIZCTEOSA-N 279.343 2.874 30 40 CFEB N#CC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1 97375937 YFRUYRXOXHMMRZ-UHFFFAOYSA-N 295.682 2.586 30 40 CFEB N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCCCC1 256048735 VVCNYUKGLOMVIH-UHFFFAOYSA-N 287.754 2.783 30 40 CFEB C=CCc1cc(CNC(=O)C2CCC2)cc(OC)c1OC 50527399 NVVNHPOANQOQBU-UHFFFAOYSA-N 289.375 2.849 30 40 CFEB Cc1ccn(Cc2nc3ccccc3s2)c(=O)c1C#N 97094760 YMSDFFFBHAARFJ-UHFFFAOYSA-N 281.340 2.686 30 40 CFEB N#Cc1cc(N[C@@H]2CCC[C@H]2O)ccc1C(F)(F)F 97104675 CHBRDAGUUDHDEU-VXGBXAGGSA-N 270.254 2.902 30 40 CFEB N#C[C@@H](c1cccc(Cl)c1Cl)N1CCOCC1 19935077 YMFJSQBHINZZKI-NSHDSACASA-N 271.147 2.890 30 40 CFEB N#Cc1cccc(NC(=O)c2nn[nH]c2-c2ccccc2)c1 188417026 QDVJYWGIZFRURQ-UHFFFAOYSA-N 289.298 2.596 30 40 CFEB CC[C@](C)(C#N)NC(=O)Cc1ccc(Br)cc1 40357849 WCZDBZPUFZBRLS-CYBMUJFWSA-N 295.180 2.800 30 40 CFEB COC(=O)c1occc1/C=C/C(=O)c1ccc(C#N)cc1 40018080 MYWKONHVEFQUTB-VOTSOKGWSA-N 281.267 2.834 30 40 CFEB NC(N)=Nc1nc(-c2cccc3ccccc23)cs1 20636314 DHPIXHJPJXJHCM-UHFFFAOYSA-N 268.345 2.868 30 40 CFEB O=C(O)c1ccccc1N/N=C/c1ccc2c(c1)OCO2 3909737 MTTZIGDEMCVVQA-LZYBPNLTSA-N 284.271 2.560 30 40 CFEB Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc3[nH]ccc3c2)no1 49549279 QPYVJBBKVZWFKZ-CYBMUJFWSA-N 294.314 2.785 30 40 CFEB O=C(O)c1ccc(N/N=C/c2cccc(F)c2)cc1 5446576 USDCYZORRMENHX-CXUHLZMHSA-N 258.252 2.970 30 40 CFEB N#Cc1cc(Br)ccc1NCc1ccon1 96501531 RUTXGMSTJSDEGV-UHFFFAOYSA-N 278.109 2.921 30 40 CFEB COCCCCC(=O)N[C@](C)(C#N)C1CCCCC1 71908446 CUEABMJEWJYPPA-OAHLLOKOSA-N 266.385 2.782 30 40 CFEB N#Cc1cc(N(C#N)CC(=O)Nc2ccccc2)ccc1F 76083230 JUINCUWYGMFVIL-UHFFFAOYSA-N 294.289 2.624 30 40 CFEB CCn1ncc(/C=C/C(=O)c2ccccc2O)c1C 71785057 BRDXZZCJGSRHSS-CMDGGOBGSA-N 256.305 2.813 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1ccc(C)c(C)c1 225886001 GQDYTRRVGAKYFC-UHFFFAOYSA-N 285.347 2.998 30 40 CFEB CCOc1c(Br)cc(OC)cc1C#N 225288398 NRYUQZQVFFIIBD-UHFFFAOYSA-N 256.099 2.728 30 40 CFEB C=C1C=C[C@H]2C[C@]1(C)CN2S(=O)(=O)c1ccccc1 45069664 HLNFFHFBPOFRJT-DZGCQCFKSA-N 275.373 2.582 30 40 CFEB Cc1cccc(CN(CC#N)Cc2cccc(C)n2)n1 83595393 OASKBYHQNQZYJH-UHFFFAOYSA-N 266.348 2.619 30 40 CFEB CC(C)(CCC#N)CN1CCC(O)(C(F)(F)F)CC1 97095445 KDYSDRUWDJWPAL-UHFFFAOYSA-N 278.318 2.706 30 40 CFEB CSc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 642814272 BSMJBSVYMCCJBZ-UHFFFAOYSA-N 268.162 2.847 30 40 CFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)c2[nH]ccc2c1 307229239 ZJLJKDMKVPOUHW-UHFFFAOYSA-N 257.142 2.776 30 40 CFEB Cc1cccc(C(=O)O/N=C2/C[C@@H](C)N(C)C[C@H]2C)c1 13634894 WSBKLQGARDLANT-OVJMFRMASA-N 274.364 2.868 30 40 CFEB C[C@@H](Oc1ccc(C(=O)/C=C/c2cccnc2)cc1)C(=O)O 16390633 QERUGTRBEUFIJK-OXFRDRNISA-N 297.310 2.830 30 40 CFEB C=CCC(C(=O)OCC)(C(=O)OCC)/C(C)=C/C 1716461 LODRQDTYNUBEBW-YRNVUSSQSA-N 254.326 2.641 30 40 CFEB C=C(C(=O)O)[C@@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@@H]2C1 35457712 IBJRJSQUSVUUDO-ABHRYQDASA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro C=C1CCC(NC(=O)[C@@H]2CCc3ccccc3O2)CC1 618256785 MPFFRIKZLKRHEU-INIZCTEOSA-N 271.360 2.995 30 40 CFEB COC(=O)c1ccc(/C=[N+](\[O-])c2ccccc2)cc1 80322 IPVHMSYXATZPGS-WJDWOHSUSA-N 255.273 2.734 30 40 CFEB CCNC(=S)N/N=C/c1cccn1-c1ccccc1C 6711511 VSSSRSVZRPPKGE-GZTJUZNOSA-N 286.404 2.604 30 40 CFEB CCc1nnc(S)n1/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 102418005 SHUBJSLWSGLJQH-SLDKGUOFSA-N 276.409 2.956 30 40 CFEB CN(CCOc1ccc(C#N)cc1)Cc1ccco1 35122333 LHQXTVVUTWLWJY-UHFFFAOYSA-N 256.305 2.662 30 40 CFEB Oc1c(Cl)cc(Cl)cc1/C=N/n1cn[nH]c1=S 44867412 QFLOGODXZILQTM-QLKAYGNNSA-N 289.147 2.835 30 40 CFEB C=CCn1c(SCCN(C)C)nc2ccccc21 48303246 JLFZPONCVHOEAK-UHFFFAOYSA-N 261.394 2.876 30 40 CFEB CC(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 5456596 YJAUTHJETIJVTQ-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB COC[C@H]1CCN(c2c(Cl)cccc2C#N)C1 78296966 ATHYQYJLNPBUMO-JTQLQIEISA-N 250.729 2.684 30 40 CFEB N#CC1(C(=O)Nc2ccc(Br)cc2)CC1 28899300 YPKOBJNSNXOFQX-UHFFFAOYSA-N 265.110 2.691 30 40 CFEB COc1c(Cl)cc(F)cc1B1OC(C)(C)C(C)(C)O1 307687105 DLBHDXHBTLRQDP-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB O=C(/N=C(\c1ccccc1)N1CCOCC1)c1ccccc1 226753087 IVGIGJZTFAYCBX-HTXNQAPBSA-N 294.354 2.606 30 40 CFEB CCOC(=O)c1nc(-c2ccccc2)ccc1C#N 43827517 KERSGKBZFUZOMF-UHFFFAOYSA-N 252.273 2.797 30 40 CFEB Cc1c(N)cc(C#N)n1CC(=O)Nc1ccc(Cl)cc1 225861084 MVNZMQDXNCVHQN-UHFFFAOYSA-N 288.738 2.543 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1cccc(F)c1 225873856 KOBSIWUKCFMWIA-UHFFFAOYSA-N 259.284 2.528 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCC(C)CC2)nc1 223919637 GDMYFILOGGTDLP-UHFFFAOYSA-N 290.436 2.790 30 40 CFEB COc1cc(C#N)cc(Cl)c1O[C@H]1CCCC[C@@H]1O 193098282 QYEUTSJJUOBMMR-RYUDHWBXSA-N 281.739 2.903 30 40 CFEB Cc1nnc(SCCCOC(C)C)c(C#N)c1C 97237216 GZEYSUYNXUOTEA-UHFFFAOYSA-N 265.382 2.872 30 40 CFEB C[C@@H](C#N)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 97372021 QMKDAFXYLNIRJY-NWDGAFQWSA-N 279.334 2.555 30 40 CFEB CCOCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191879 PUXWPSGGQKMTNM-UHFFFAOYSA-N 286.253 2.942 30 40 CFEB C=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O 28539503 BGUYVWYUIXKRDO-SIRQDLBWSA-N 256.386 2.562 30 40 CFEB biogenic,in-vitro COc1ccc(/C=N/N=C\c2ccco2)cc1OC 16919250 FAKJCAIHVZPCKQ-TYVLLQCESA-N 258.277 2.750 30 40 CFEB CS(=O)(=O)OCc1ccc(Br)cc1Cl 161774788 CSKPOIWHJXWTER-UHFFFAOYSA-N 299.573 2.579 30 40 CFEB CCC[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 96336579 IAJCUTUTYXZIJX-JTQLQIEISA-N 296.330 2.861 30 40 CFEB Cc1nnc(C(F)(F)F)n1/N=C/c1ccc(F)cc1 4279685 CLAIMELDBRDONV-OMCISZLKSA-N 272.205 2.627 30 40 CFEB N#Cc1cccc(NC(=O)CSc2nccn2C2CC2)c1 11891413 KQECPLPOYKUMDK-UHFFFAOYSA-N 298.371 2.820 30 40 CFEB COc1ccc(C(=O)/C=C(\O)c2ccncc2)cc1 103713018 FQLRIKVWMMUKNQ-GDNBJRDFSA-N 255.273 2.872 30 40 CFEB COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1 103504185 YCTLAYIEICOELT-OAHLLOKOSA-N 294.310 2.656 30 40 CFEB C=CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 22571300 MMBKCYRUNRWIKX-UHFFFAOYSA-N 292.342 2.579 30 40 CFEB C=CCNC(=O)N[C@@H](C)c1ccc(Br)cc1 26518057 HQVLAOZECXCRJJ-VIFPVBQESA-N 283.169 2.995 30 40 CFEB CCOC(=O)[C@@H]1CCC/C1=N\Nc1ccc(C(=O)O)cc1 12859962 MYRMLLKWSTZGRS-CDWYDPPVSA-N 290.319 2.516 30 40 CFEB C#CCN(C(=O)NCC(F)(F)F)[C@@H]1CCc2ccccc21 69451782 NJGOMDSTFRJBOU-CYBMUJFWSA-N 296.292 2.881 30 40 CFEB C/C(=N\NC1=NC(=O)CS1)c1cccc2ccccc12 6046063 PXLZXDOILQLRSG-LICLKQGHSA-N 283.356 2.783 30 40 CFEB CC1(C)CC(=O)C/C(=N\NC(=S)NC2CCCCC2)C1 6392782 SUYDUHCUNPKXSR-SFQUDFHCSA-N 295.452 2.918 30 40 CFEB C=CCn1c(S)nnc1-c1c(C)nc2cc(C)ccn12 8684181 JQCSBRXVQFKSAI-UHFFFAOYSA-N 285.376 2.684 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(C#N)c1 7652167 MYUARQKRSLCAOC-SWLSCSKDSA-N 272.348 2.632 30 40 CFEB C[C@H](NCc1ccc(C#N)cc1F)[C@@H](C)n1cccn1 69952169 XJTFYQLZGDFISY-NWDGAFQWSA-N 272.327 2.633 30 40 CFEB CCc1nc(CCNC(=O)c2cccc(C#N)c2)sc1C 71854144 DWUYQFKBPQHCLM-UHFFFAOYSA-N 299.399 2.858 30 40 CFEB COc1ccc(CNCc2ccc(C#N)cc2)c(OC)c1 37505869 OGCKDRBAZARMSE-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB COc1ccc(OC)c(/C=N/OCc2cc(C)no2)c1 31078704 OZRMBAFYUGTWHJ-OVCLIPMQSA-N 276.292 2.551 30 40 CFEB C#CCOc1c(C(=O)O)sc(SC)c1Cl 96510998 MHHZFERZRVXBGO-UHFFFAOYSA-N 262.739 2.834 30 40 CFEB COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1SC 642814467 JJTUORRRAALYHW-UHFFFAOYSA-N 280.198 2.716 30 40 CFEB CN1CCC/C1=N\C(=N\c1ccccc1)N1CCCC1 16155816 UFJFKQGRZLHOBO-YQFKSOGVSA-N 270.380 2.894 30 40 CFEB in-man C=CCn1cnnc1SC[C@@H]1CC1(Cl)Cl 32731685 RNJMDTDXQFHRLY-ZETCQYMHSA-N 264.181 2.750 30 40 CFEB C/C(Cl)=N/OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 73353169 SXKGICHRSILUQU-ACAGNQJTSA-N 275.623 2.855 30 40 CFEB CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 4453234 BSWHPRMMXNFNGV-SNVBAGLBSA-N 286.114 2.565 30 40 CFEB CCOc1ccc2nc(SC/C(N)=N\O)sc2c1 17009035 WUQVPEXSZQDMKD-UHFFFAOYSA-N 283.378 2.534 30 40 CFEB O/N=C1/CCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1 100986906 ORIGRXVYHSDBLT-ARSNJYAISA-N 293.798 2.845 30 40 CFEB O=C1CCC[C@H]1C(=O)C(F)(F)C(F)(F)C(F)(F)F 100102440 WIUSQJBYVPBFHT-SCSAIBSYSA-N 280.139 2.758 30 40 CFEB COc1ccc(COC[C@@H](O)C/N=C(\O)CC(C)C)cc1 58393077 FJDFTNZZZNZZGQ-AWEZNQCLSA-N 295.379 2.575 30 40 CFEB CC(C)COC(=O)/N=C1\NC(=S)N(C)C12CCCCC2 16102158 JLAZKDFJOHPBPV-UHFFFAOYSA-N 297.424 2.700 30 40 CFEB CC(C)(C)CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 48541018 RXPFWENXLBQVHP-GFCCVEGCSA-N 264.369 2.580 30 40 CFEB COc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1O 6582645 BOUPFHZEOBSNQA-CXUHLZMHSA-N 286.287 2.545 30 40 CFEB N/C(=N\C1CC1)NCCc1c(Cl)cccc1Cl 66244584 YQUKGISVKBDBDK-UHFFFAOYSA-N 272.179 2.603 30 40 CFEB C[C@@H](Oc1ccccc1F)c1nnc(SCC#N)o1 7137757 PQJXCORMAQVSMG-MRVPVSSYSA-N 279.296 2.964 30 40 CFEB CC(C)=NOc1nc(-c2ccccc2)c(C#N)c(N)c1C#N 96336632 GEEZIHKYKLXKDP-UHFFFAOYSA-N 291.314 2.849 30 40 CFEB CC#CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 97164640 VEZGPAMGIWGQHJ-UHFFFAOYSA-N 255.321 2.633 30 40 CFEB Cc1c(NC(=O)C2(C#N)CCC2)cccc1N1CCOC1=O 72304610 HTVNSJQIGGLQKH-UHFFFAOYSA-N 299.330 2.584 30 40 CFEB C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC2(C#N)CCCCC2)[C@H]1C 529517136 HNDFOJOCVRWPGU-FQUUOJAGSA-N 278.396 2.636 30 40 CFEB CC(C)c1ccc([C@@H]2C[C@@H]2/C(O)=N/S(C)(=O)=O)cc1 77940340 VPOCBKOWRIVDFH-STQMWFEESA-N 281.377 2.830 30 40 CFEB C=CCCCNc1ccc(C(=O)N2CCOCC2)cc1 77245231 RQLDZWSODYBJPM-UHFFFAOYSA-N 274.364 2.537 30 40 CFEB CCCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N 225830586 BKLWQTOPEXGBHT-UHFFFAOYSA-N 274.755 2.991 30 40 CFEB N#Cc1c(Cl)nc(-c2ccncc2)c2c1CCOC2 96509698 XACFHASEVKZWPQ-UHFFFAOYSA-N 271.707 2.741 30 40 CFEB Cc1ccc(-c2ccc3c(c2)/C(=N/O)C(=O)N3)cc1 254286886 OULXDAJEOBCECA-UHFFFAOYSA-N 252.273 2.792 30 40 CFEB Cc1cccc(OCCC(=O)N(CC#N)C2CC2)c1C 67686422 SLBPUSBZPBRSQZ-UHFFFAOYSA-N 272.348 2.587 30 40 CFEB N#Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)cc1Cl 102346687 ZIKWQPXHNQKYAO-CQSZACIVSA-N 273.767 2.662 30 40 CFEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/O)cc2)cc1 3112542 SWDMJPAJFORXTD-XNTDXEJSSA-N 291.328 2.571 30 40 CFEB N#CCC(=O)NC(c1ccccc1)c1ccccc1 5681938 IELZJYJWKWYSAE-UHFFFAOYSA-N 250.301 2.806 30 40 CFEB N#Cc1cccc(NS(=O)(=O)Cc2ccccc2)c1 6706857 GBHXQRHRHHCCRN-UHFFFAOYSA-N 272.329 2.500 30 40 CFEB CC1(C)OB(c2cncc3cc(F)ccc23)OC1(C)C 1848351085 YCWHMTXOBJIMSA-UHFFFAOYSA-N 273.116 2.673 30 40 CFEB N#Cc1ccc(N2CCC(n3cccc3)CC2)nc1 58555070 VDDACSJUACKUAY-UHFFFAOYSA-N 252.321 2.596 30 40 CFEB C=CCO[C@H](C)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 68764989 GTWAGGSNVMJIGP-IUODEOHRSA-N 299.374 2.818 30 40 CFEB CN1CCc2c(nc(S)c(C#N)c2-c2ccsc2)C1 2486524 WVXRAWYHOFCHRC-UHFFFAOYSA-N 287.413 2.958 30 40 CFEB COc1ccc2c(c1)O[C@@]1(C)O[C@@]1(c1ccccc1)C2=O 1094098 VMRJIOUWFBJQSV-IRXDYDNUSA-N 282.295 2.912 30 40 CFEB C=CCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1 2043604 PXEQOBXIAQEZNQ-QGZVFWFLSA-N 265.312 2.522 30 40 CFEB CN(CC#N)C(=O)Cc1ccc(-c2ccccc2)cc1 60297237 VKGYLCIRWCMNHS-UHFFFAOYSA-N 264.328 2.878 30 40 CFEB CCN1C(=O)/C(=N/Nc2ccccc2)c2ccccc21 409219888 RHSMJLPJAMHDOS-OBGWFSINSA-N 265.316 2.869 30 40 CFEB CCN(CC)CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 49076009 GLJNOTJNDWSIHZ-UHFFFAOYSA-N 299.418 2.752 30 40 CFEB CCO/N=C1/CC(C)(C)Cc2nc(NC(C)=O)sc21 5194981 PHBOSFYMGUVRCQ-YBEGLDIGSA-N 281.381 2.815 30 40 CFEB C=CCNc1nnc(SC[C@@H]2CCCCO2)s1 39978302 LMNMVFNCLUGOHA-VIFPVBQESA-N 271.411 2.797 30 40 CFEB N#Cc1ccccc1Cn1nc(-c2ccc(F)cc2)oc1=O 14140986 CDIRCYHEDJRKCE-UHFFFAOYSA-N 295.273 2.562 30 40 CFEB Cc1ccc(C)c(-n2cnnc2SCCC#N)c1 7319345 NKTSQTXRIUJEQS-UHFFFAOYSA-N 258.350 2.890 30 40 CFEB CCc1ccc(-c2noc(CN(C)C[C@@H](C)C#N)n2)cc1 71824947 OYHVIKOZBFKVNZ-LBPRGKRZSA-N 284.363 2.890 30 40 CFEB C=CCC[C@H](C)Nc1ccc(NS(C)(=O)=O)cc1 97113346 KRTCNXYCBBAUKV-NSHDSACASA-N 268.382 2.825 30 40 CFEB C=CCOCCCC(=O)N1c2ccnn2[C@H](C)C[C@H]1C 74719276 FEGQKZSIEDEKFA-CHWSQXEVSA-N 277.368 2.552 30 40 CFEB Cc1csc(N/N=C/c2ccc3c(c2)OCO3)n1 169412219 DWHFBIABNLETLF-WLRTZDKTSA-N 261.306 2.626 30 40 CFEB CCc1nnc(S)n1/N=C/c1c(F)cccc1Cl 5410287 RVMBRLPQCUUDQY-MKMNVTDBSA-N 284.747 2.804 30 40 CFEB C/C(=N\NC(=S)NC1CCCCC1)c1ccccn1 17107799 NHLSZYPMCMMCMK-GZTJUZNOSA-N 276.409 2.602 30 40 CFEB N#Cc1ccc(N2CCC[C@H](COc3cnccn3)C2)cc1 2298060312 DLIZPBSJNRZWPE-HNNXBMFYSA-N 294.358 2.644 30 40 CFEB N#CCc1nc2ccccc2n1C(=O)c1ccccc1 325449 BBBVZIHSBKVMHY-UHFFFAOYSA-N 261.284 2.791 30 40 CFEB CCCCOC(=O)[C@H](C)OC(=O)Nc1cccc(C#N)c1 1689086 NKMHAKQSPJFMKF-NSHDSACASA-N 290.319 2.839 30 40 CFEB C=CCC(CC(C)C)(C(=O)OCC)C(=O)OCC 2581427 QCQKKJOWCKVCLE-UHFFFAOYSA-N 256.342 2.721 30 40 CFEB C#CCOc1ccccc1CNCc1ccc2c(c1)OCO2 22770302 XNKUJQDAHRNJDP-UHFFFAOYSA-N 295.338 2.717 30 40 CFEB C=C(Cl)CN1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 69535832 SSVOEKZMTYMALR-KBPBESRZSA-N 286.847 2.560 30 40 CFEB COc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 306472374 SSVALZQIWPKGHV-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(O)cc1 6673772 QXRQQFAKWXERQG-MHWRWJLKSA-N 270.288 2.927 30 40 CFEB C=CCN1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 89917919 DVDIYIGLGNQMBH-CQSZACIVSA-N 266.429 2.573 30 40 CFEB Cc1c(C(=O)/C=C/c2ncc[nH]2)cnn1-c1ccc(F)cc1 72273346 ACTMPSLATHFKCT-VOTSOKGWSA-N 296.305 2.939 30 40 CFEB COc1ccccc1C(=O)N[C@H](C#N)c1ccsc1 97229986 NYTSZPFBEQCOLX-GFCCVEGCSA-N 272.329 2.751 30 40 CFEB C=CCNC(=S)Nc1ncc(Br)cc1C 223919228 SVZHTUHVMCKDHH-UHFFFAOYSA-N 286.198 2.625 30 40 CFEB C/C(c1cccs1)=[N+](/[O-])[C@H](C)/C(=N/O)c1ccco1 13098324 LJWZGFPZLBRODJ-SLPQALIWSA-N 278.333 2.927 30 40 CFEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1ccccc1 4529922 VAWATGWXNSYOHD-HRCADAONSA-N 276.400 2.978 30 40 CFEB N#Cc1ccccc1OCC(=O)Oc1ccc(F)cc1 7657142 UPVLQSDJASYRKH-UHFFFAOYSA-N 271.247 2.682 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)C1=O 7986408 GLDQAVMCVBXSND-CJTNFHBZSA-N 289.379 2.685 30 40 CFEB CCc1c(C)sc(NC(=O)c2cnccn2)c1C#N 369082 XMQPHTFWRBTSSM-UHFFFAOYSA-N 272.333 2.533 30 40 CFEB COC(=O)c1c(Br)c2ccccc2n1CC#N 8729913 KYHSJAFLJLCAMD-UHFFFAOYSA-N 293.120 2.714 30 40 CFEB N#Cc1ccccc1NC(=S)NC(=O)c1cccc(F)c1 529086 GGJLQMHYUGDLEU-UHFFFAOYSA-N 299.330 2.824 30 40 CFEB O=C1Nc2ccccc2/C1=N\c1cccc([N+](=O)[O-])c1 12377203 PIUWEYFCGBZZMB-UHFFFAOYSA-N 267.244 2.668 30 40 CFEB CO/N=C1\C[C@@H]2[C@@H]3C/C(=N\OC)[C@H]4[C@H]5C=C[C@H]6C5C([C@@H]2[C@H]16)[C@@H]34 104293355 NEQASLFCPZMGNJ-PYZBWXSKSA-N 298.386 2.571 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)c2c(c1)OCO2 58265014 QHKPOXPHOCFQHL-SECBINFHSA-N 294.738 2.690 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)COc1ccccc1F 44979007 PWTPMKRLDQUQEM-UHFFFAOYSA-N 298.317 2.757 30 40 CFEB CCc1cc2c(=O)n(Cc3cccc(C#N)c3)cnc2s1 12788954 IQMLFJMKBCSWBL-UHFFFAOYSA-N 295.367 2.940 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccccc1O)O2 6008024 OMHYWXVYWUUERC-OQLLNIDSSA-N 296.278 2.795 30 40 CFEB biogenic N#Cc1cccc(COC(=O)c2ccc3nccnc3c2)c1 5420221 ZPYPXHTUYCOXNJ-UHFFFAOYSA-N 289.294 2.858 30 40 CFEB CCN1CCN(c2ccc(/N=C/c3ccncc3)cc2)CC1 4739521 GTVBZZXPNWKTOZ-HMMYKYKNSA-N 294.402 2.974 30 40 CFEB Cc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccccc1 4744625 OWJNQMBMCSDMPO-ICFOKQHNSA-N 266.300 2.720 30 40 CFEB N#Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 19802919 VDGFDFDUGHYYIZ-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccncc1)C2 96050016 JGOBOVWGQTXYDI-GOSISDBHSA-N 299.418 2.615 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/Cc3ccccc32)c([N+](=O)[O-])c1 4273492 PXGLBEHXEGXBEJ-SSZFMOIBSA-N 298.258 2.875 30 40 CFEB CC[C@H]1S/C(=N\c2cccc(Cl)c2)NC1=O 8326504 ZXELOWXLULNKIB-SECBINFHSA-N 254.742 2.969 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@@H](C(N)=O)c2ccccc2)n1 992596 YLIIZPJAGSSJQI-CQSZACIVSA-N 297.383 2.889 30 40 CFEB CC(C)=C1C[C@H]2O[C@]2(C)CC[C@H]2O[C@@]2(C)CC1=O 100059931 GTHJHHZMCSHKDZ-TUVASFSCSA-N 250.338 2.781 30 40 CFEB biogenic C#Cc1cccc(NC(=O)CCc2nc(C(C)(C)C)no2)c1 31271711 CGFZTPINVVCKSV-UHFFFAOYSA-N 297.358 2.920 30 40 CFEB N#Cc1ccc(COc2cccnc2[N+](=O)[O-])c(F)c1 11387737 SIXMMTBQCHNMTL-UHFFFAOYSA-N 273.223 2.580 30 40 CFEB O=C1C=CC(=NSc2ccccc2[N+](=O)[O-])C=C1 3210595 BXMOTUDDHBSABQ-UHFFFAOYSA-N 260.274 2.738 30 40 CFEB C/C(=C\C(=N/NC(=N)N)c1ccccc1)c1ccccc1 4758696 WKPRTJBTWLBDOQ-QHRGAKLKSA-N 278.359 2.977 30 40 CFEB CC1(C)[C@@H](O)[C@]2(Br)CC[C@@]1(CC#N)C2 109275353 FSRFSLXWGWWDBH-IEBDPFPHSA-N 258.159 2.605 30 40 CFEB COC(=O)Nc1ccc(CNc2ccc(C#N)cn2)cc1 52328623 NDOTZJWQWRQXKH-UHFFFAOYSA-N 282.303 2.744 30 40 CFEB N#CCCN1CCCN(Cc2ccc(Cl)cc2)CC1 32900873 JHQCEUOEYUXCNG-UHFFFAOYSA-N 277.799 2.761 30 40 CFEB Cc1noc(C)c1Cn1cc(C#N)c(=O)c2ccccc21 70040633 JMALNPVUWOILQD-UHFFFAOYSA-N 279.299 2.526 30 40 CFEB CCN(C[C@@H]1COc2ccccc2O1)c1ccc(C#N)cn1 58558682 NXWXUIIVTWNNJL-CQSZACIVSA-N 295.342 2.620 30 40 CFEB CN(CC#N)Cc1ccc(Br)cc1F 45050160 JFQLCMVPMQJTHC-UHFFFAOYSA-N 257.106 2.544 30 40 CFEB C[C@H](CC#N)N(C)C(=O)c1ccc(-n2cccc2)c(F)c1 75583898 UBFOZZDLNFSCRK-GFCCVEGCSA-N 285.322 2.991 30 40 CFEB C#Cc1cccc(NCc2ccc(-n3cncn3)cc2)c1 97146799 NLNCWBAGWIDPLX-UHFFFAOYSA-N 274.327 2.861 30 40 CFEB CCOCC(=O)N(CCC#N)c1ccc(C)c(C)c1 79000248 QVWYEPWIVTZRDL-UHFFFAOYSA-N 260.337 2.587 30 40 CFEB C=C[C@@H](C)NC(=O)N(C)CC1(c2ccccc2)CC1 195571915 GMPJKMYOFDEEKE-CYBMUJFWSA-N 258.365 2.934 30 40 CFEB Cc1cccc(N2CCN(c3cccc(C#N)n3)CC2)c1C 265508279 JUSQPAKZLDNQLK-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB N#Cc1cnc(NC[C@H](O)c2ccccc2)c(Cl)c1 69432702 CDFXRMCQUKLYKW-ZDUSSCGKSA-N 273.723 2.752 30 40 CFEB NS(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 4293716 JWLMJEWIMGZYQN-CXUHLZMHSA-N 294.763 2.738 30 40 CFEB COc1ccc(/C=N/Nc2nc(C)cs2)c(OC)c1 5756459 LTCUFVKBFPFAFD-VGOFMYFVSA-N 277.349 2.915 30 40 CFEB CC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1 13582634 FHSHFEHQQNGWFW-JXTNESPGSA-N 278.319 2.626 30 40 CFEB S/C(=N\c1ccc(Cl)cc1)N[n+]1ccccc1 6226707 YQKMVHJDMCWVLF-UHFFFAOYSA-O 264.761 2.789 30 40 CFEB aggregator C=C(C)CNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F 156850882 QOYHZAXCKWIDKY-SNVBAGLBSA-N 296.342 2.779 30 40 CFEB C=C(c1cnc(NCC(F)F)nc1)C(F)(F)F 2086836067 INQHURMFYHNFCV-UHFFFAOYSA-N 253.174 2.729 30 40 CFEB C[C@@H]1CCc2c(sc(NC(=O)c3ccno3)c2C#N)C1 10253914 ITFKFAABBCZLLF-MRVPVSSYSA-N 287.344 2.985 30 40 CFEB CC(C)(C)N(C[C@@H](C#N)CCC#N)c1nnc(S)s1 32760055 YMADSKYEKQUQMJ-SECBINFHSA-N 295.437 2.875 30 40 CFEB CSc1ccc(NC(=O)c2cccnc2)cc1C#N 3104730 ZXEGGUIJPIDACS-UHFFFAOYSA-N 269.329 2.927 30 40 CFEB COc1ccc(/C=N/NC2=NCCCCC2)cc1OC 3174095 JIZDZQLYLHONCG-GZTJUZNOSA-N 275.352 2.600 30 40 CFEB CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N 10052017 BUXVSWKNXQCECB-LBPRGKRZSA-N 259.353 2.617 30 40 CFEB N#Cc1ccsc1NC(=O)Cc1cccc(F)c1 10214040 BMRSTIUBHXXMPY-UHFFFAOYSA-N 260.293 2.940 30 40 CFEB Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 3474528 ZVDPMOAHJJBAOD-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)COc1ccccc1Cl 3535134 FDVKEBWCKSOJKI-AWEZNQCLSA-N 280.755 2.773 30 40 CFEB N#C[C@@H](C(=O)COC1CCCC1)c1nc2ccccc2[nH]1 48813244 VIMKXANHVJSXAV-LBPRGKRZSA-N 283.331 2.698 30 40 CFEB Cc1cccc(SCC(=O)N(CCC#N)CCC#N)c1 49373210 RUOUPDCYPHYRDD-UHFFFAOYSA-N 287.388 2.743 30 40 CFEB N#Cc1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 6660060 SDFZXVIEZJJPPH-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(C#N)c1 6821777 OOHNFMOZNBXACV-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C#N 9717916 MTERBWTXOBTEOT-VIFPVBQESA-N 256.261 2.719 30 40 CFEB CC[C@H](C[C@H](C)CO)Nc1ccc(C#N)cc1F 76083631 ACTAVFLFHQGDKS-CMPLNLGQSA-N 250.317 2.906 30 40 CFEB C=C[C@@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 187528597 VLGIRSAVVBMONM-GFCCVEGCSA-N 273.332 2.540 30 40 CFEB C=CCNC(=S)N/N=C/c1ccc(OCC(C)C)cc1 33690363 ZXERDNXFSPQBHS-LICLKQGHSA-N 291.420 2.705 30 40 CFEB CCCN[C@@H](C#N)c1ccc([C@H](C#N)NCCC)cc1 31870869 IRPYMZCTDBCQBF-HOTGVXAUSA-N 270.380 2.815 30 40 CFEB COc1ccc(C[C@@H](C)C/N=C(/O)N2CCCCO2)cc1 328686779 GMSZFGYTHCMHHL-CYBMUJFWSA-N 292.379 2.815 30 40 CFEB CSC[C@](C)(O)CNc1ccc(C#N)c(Cl)c1 96453690 GFCXLQTUTKQWRX-GFCCVEGCSA-N 270.785 2.738 30 40 CFEB CC1CCN(c2nn(-c3ccc(F)cc3)nc2C#N)CC1 256047114 KKRITKDYNHGYLW-UHFFFAOYSA-N 285.326 2.514 30 40 CFEB N#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCCC1 55927898 DEMPTNRBMKBPJY-HNNXBMFYSA-N 289.423 2.594 30 40 CFEB Cc1cc(CN(C)CCCOc2ccc(C#N)cc2)no1 51739400 JKRAGZCPULKCNF-UHFFFAOYSA-N 285.347 2.756 30 40 CFEB COc1ccc(C(=O)/C=C\c2ccncc2)cc1OC 17250161 FLXXEIREWHPHOS-HYXAFXHYSA-N 269.300 2.995 30 40 CFEB C[C@@](O)(CNc1ccc(C#N)nc1)c1ccccc1Cl 160202425 XEPIFOQHIUSCDF-OAHLLOKOSA-N 287.750 2.926 30 40 CFEB O=C(C1=CC[C@@](O)(Cl)C(O)=C1)c1ccccc1 87492896 NPLHMXHKOMIIPH-ZDUSSCGKSA-N 250.681 2.569 30 40 CFEB C[C@@](C#N)(NC(=O)CNc1ccccc1Cl)C1CC1 30283072 WOKBFEDXMRECDL-AWEZNQCLSA-N 277.755 2.560 30 40 CFEB C=CCSc1nnc2c(n1)[nH]c1ccc(F)cc12 4130155 ISNBADHZDJJHAJ-UHFFFAOYSA-N 260.297 2.923 30 40 CFEB N#CC[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 6084690 ZCTBKENXWAJCIN-SNVBAGLBSA-N 272.251 2.960 30 40 CFEB COC(=O)Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 29621739 IUUJZECAYGUJSN-UHFFFAOYSA-N 294.310 2.526 30 40 CFEB COc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1 553421 PPKYGKYUTYQZFW-UHFFFAOYSA-N 296.326 2.840 30 40 CFEB N/C(=N/O[C@H]1CCCc2ccc(F)cc21)c1cccnc1 89793913 VANJXWANSXDWRN-HNNXBMFYSA-N 285.322 2.935 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)C[C@H]2CCOC2)c(C)c1 102707528 VMWFJYDLNMIHBM-HIFRSBDPSA-N 285.343 2.622 30 40 CFEB N#Cc1ccc(OCCOc2ccccc2C#N)cc1 34651405 YAJDZBDBIXNUFP-UHFFFAOYSA-N 264.284 2.888 30 40 CFEB Cc1ncc(CN(C)C(=O)NCC#Cc2ccccc2)s1 56384833 MFIMKNSYWMLQOO-UHFFFAOYSA-N 299.399 2.645 30 40 CFEB N#CCCn1ccc(NC(=O)c2ccc(Cl)cc2)n1 3216262 BVYZVUKBXMMTIE-UHFFFAOYSA-N 274.711 2.702 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)Cc1ccc2c(c1)CCC2 58296988 VPZRXKIIGUAIRP-ZDUSSCGKSA-N 270.376 2.726 30 40 CFEB N#C/C(=N\Nc1ccccc1)C(=N)N1CCCCCC1 2226233 PJJUHTJTUHEASX-LVMDTKJSSA-N 269.352 2.831 30 40 CFEB CCOC(=O)[C@H](C#N)c1ccc(Br)cc1 39172699 ZBOCISWKAHOEQX-SNVBAGLBSA-N 268.110 2.619 30 40 CFEB Cc1nc(C)c(C#N)c(SCc2nc(C)c(C)o2)n1 69508327 XLCYOTPUJDEGBI-UHFFFAOYSA-N 274.349 2.862 30 40 CFEB CSC1=NC(C)=C(C(C)=O)[C@H](c2ccco2)N1 408732320 ULJXDKYGLOVDRD-NSHDSACASA-N 250.323 2.506 30 40 CFEB C#CCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344886 CFGWCJIGZAMJFS-VXGBXAGGSA-N 268.143 2.846 30 40 CFEB CO/N=C1/C(=O)Nc2ccc(-c3ccccc3)cc21 83884259 GPOMRGVFJCIFLV-UHFFFAOYSA-N 252.273 2.656 30 40 CFEB Cc1ncccc1C(=O)N(CCC#N)CC(C)(C)C 76017110 BBPCUVLMRMRUDY-UHFFFAOYSA-N 259.353 2.792 30 40 CFEB C/N=C(/NCCOc1ccccc1)NC1CCCCC1 72271895 OQULLFPHSWKEJF-UHFFFAOYSA-N 275.396 2.563 30 40 CFEB N#Cc1ccc(N[C@H]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 84340821 QVGAYUQWMFDPAI-STQMWFEESA-N 289.335 2.820 30 40 CFEB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C#N)c1 36397821 CKIGSVRXSXMVII-UHFFFAOYSA-N 295.298 2.739 30 40 CFEB C#CCCCOC(=O)c1ccc2nc(C)c(C)nc2c1 62699980 WQPMWIHCHNWVQF-UHFFFAOYSA-N 268.316 2.817 30 40 CFEB N#Cc1c(O)cc(Br)cc1Br 159886 ZBEHUYDPUNXYLL-UHFFFAOYSA-N 276.915 2.789 30 40 CFEB CC[C@H]1CCCCN1C(=S)N/N=C(/C)c1ccccn1 5663902 MZACWVULBYILQW-IGWPVBGESA-N 290.436 2.945 30 40 CFEB COc1ccc(C(=O)Nc2sccc2C#N)cc1 2642291 YGYAIECKYUBTKO-UHFFFAOYSA-N 258.302 2.881 30 40 CFEB N#Cc1ccccc1NS(=O)(=O)/C=C/c1ccccc1 7056897 WJIQOVPYFBOQRW-ZHACJKMWSA-N 284.340 2.971 30 40 CFEB C=CCn1c(=S)[nH]c2nc3c(cc2c1=O)CCCC3 100715949 JQMPUODLQGCJGB-UHFFFAOYSA-N 273.361 2.519 30 40 CFEB N#Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)nc1 40676197 DVOCFMKLVZJGED-UHFFFAOYSA-N 268.276 2.516 30 40 CFEB CCN(C[C@H]1COc2ccccc2O1)c1ccc(C#N)cn1 58558684 NXWXUIIVTWNNJL-AWEZNQCLSA-N 295.342 2.620 30 40 CFEB C/C(Nc1ccccn1)=C1/C(=O)Oc2ccccc2C1=O 100835192 BUICQSTXYUZRMD-UVTDQMKNSA-N 280.283 2.569 30 40 CFEB O=C1C=C(N2[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)C(=O)C=C1c1ccccc1 104185135 BEHXZHRCOQPQPR-BLDHALOPSA-N 291.350 2.588 30 40 CFEB CCc1cccc2c(N3CCC[C@@H](O)C3)c(C#N)cnc12 32932686 RJFVCMYFPOCUFO-CQSZACIVSA-N 281.359 2.630 30 40 CFEB N#C[C@H](NC(=O)CCc1ccccn1)C1CCCCC1 96451374 ZHZQQDDGESZGKH-HNNXBMFYSA-N 271.364 2.603 30 40 CFEB C=CCN(CC#Cc1ccccc1)Cc1cc(C)n[nH]1 55090388 FKZBPXQBUOZPIK-UHFFFAOYSA-N 265.360 2.758 30 40 CFEB Cc1cc(C)c(C#N)c(N(C)Cc2ccc3c(c2)OCO3)n1 12798840 KOFBSQYCHXDTIV-UHFFFAOYSA-N 295.342 2.935 30 40 CFEB Cn1c(SCCC#N)nnc1-c1ccccc1F 3441202 PSEBFEULFUTSHL-UHFFFAOYSA-N 262.313 2.627 30 40 CFEB N#CCC(=O)Nc1ccc(C(=O)NCc2cccs2)cc1 6948697 HUPFNTYGAHCURL-UHFFFAOYSA-N 299.355 2.530 30 40 CFEB N#Cc1ccc(CN2CCCC[C@H]2Cn2cccn2)cc1 71875201 FLDMKENCBURLDO-KRWDZBQOSA-N 280.375 2.809 30 40 CFEB C=CCOc1ccc(CN[C@H](CC(C)C)C(=O)O)cc1 43432755 XBNZEMAKXHHZOU-OAHLLOKOSA-N 277.364 2.840 30 40 CFEB CCCOc1ccc(NC(=O)C(C)(C)OC)c(C#N)c1 225789495 IEUPFEFCSAZFJH-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB N#Cc1cc(Br)cnc1N1C[C@@H]2CCC[C@H]2C1 297587971 TYCBWQVOYPFYSU-UWVGGRQHSA-N 292.180 2.952 30 40 CFEB CCc1nc(CCNc2ncccc2C#N)sc1C 65500388 KLRBKHKPGACBCG-UHFFFAOYSA-N 272.377 2.935 30 40 CFEB C=C1[C@H]2[C@H](CC(=O)O)O[C@@H](O)[C@H]3[C@H]2[C@H](C(C)C)CC[C@@]13C 1534676422 PBMBHKUNIJQHFJ-JPGDJWIVSA-N 294.391 2.669 30 40 CFEB C[C@@H]1CN(C)[C@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 13556353 YLUPTEYKJCDJHX-NYFCXMLFSA-N 277.324 2.690 30 40 CFEB C=CCNC(=S)N1CCN(c2cccc(Cl)c2)CC1 13829083 HCEGBCMNAWIFEL-UHFFFAOYSA-N 295.839 2.523 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\Nc2ncnc3ccccc23)o1 16777199 FWXQSLJZKHICSI-APSNUPSMSA-N 283.247 2.577 30 40 CFEB O=C(/C=C/c1ccccc1)NOC(=O)/C=C\c1ccccc1 17104432 BDNJZOLJYVBEHO-KPGXXQICSA-N 293.322 2.988 30 40 CFEB N#Cc1cn(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc12 226361975 JZALBIKTNNEGKI-UHFFFAOYSA-N 281.227 2.703 30 40 CFEB CO[C@H]1C[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]1C2 248111949 YEYBRTMMOJKDHE-MXAVVETBSA-N 296.388 2.514 30 40 CFEB CCCOc1ccc(C(=O)ON=C2CCN(C)CC2)cc1 3896340 ABVPGKLTZFVDJJ-UHFFFAOYSA-N 290.363 2.714 30 40 CFEB C=CCOc1cccc(NC(=O)c2cccnc2)c1 8904963 LGHFINPDALVUHK-UHFFFAOYSA-N 254.289 2.899 30 40 CFEB Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)o1 55175200 LBIBZZYWFHIEMU-FLIBITNWSA-N 253.257 2.806 30 40 CFEB CCCCCCCc1cc(OCCO)ccc1OCCO 59608600 CMPGOUNDOSWLAU-UHFFFAOYSA-N 296.407 2.942 30 40 CFEB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)C1 7384245 UNSSSRNHMGEDBH-STQMWFEESA-N 271.364 2.617 30 40 CFEB Cc1oc(NC(=O)CN2CCCCCC2)c(C#N)c1C 25948570 XGLSFSQTWLXHLU-UHFFFAOYSA-N 275.352 2.583 30 40 CFEB CCCc1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2 2207963 KKXJNXSLUMGQNP-UHFFFAOYSA-N 262.378 2.767 30 40 CFEB C=CCn1c(C)nnc1SCc1nnsc1Cl 36396119 NTLCWNAHPPEAFE-UHFFFAOYSA-N 287.801 2.570 30 40 CFEB C#Cc1cccc(NC(=O)COc2ccc(C(C)=O)cc2)c1 12926470 SRARDEQDUHKDIN-UHFFFAOYSA-N 293.322 2.888 30 40 CFEB N#Cc1c(C(F)(F)F)n2c3c(cccc3c1=N)CCC2 4074936 USEPKAYMDPGDHP-UHFFFAOYSA-N 277.249 2.957 30 40 CFEB C[C@@H](c1cccc(F)c1)N1CCN([C@H](C)CC#N)CC1 91980600 BSVCKQNSWGLWKC-KGLIPLIRSA-N 275.371 2.806 30 40 CFEB N#C[C@@H](c1c(Cl)cccc1Cl)N1CCOCC1 19935049 LXDHIYRLSSHAER-NSHDSACASA-N 271.147 2.890 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccccc2)cc1 9337093 WUIOVTKDCQHWRO-UHFFFAOYSA-N 251.289 2.609 30 40 CFEB CCO[C@H](C)c1noc(COc2cccc(F)c2C#N)n1 89985001 VMKBBQUYRFCSSV-SECBINFHSA-N 291.282 2.757 30 40 CFEB Cc1cc(C(=O)N(CCC#N)CC(F)(F)F)c(C)o1 76092225 BYQXGHULWCLIQL-UHFFFAOYSA-N 274.242 2.815 30 40 CFEB Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](C)C#N)s2)o1 78598053 QFWCKQIDGDOKKO-QMMMGPOBSA-N 289.360 2.909 30 40 CFEB N#CC1(C(=O)N2CCC(C(F)(F)F)CC2)CCCC1 88421658 UJDUBKLWIUMXNQ-UHFFFAOYSA-N 274.286 2.871 30 40 CFEB CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CC#N)C1 503718065 DBVQSUIGLBJBBE-GFCCVEGCSA-N 275.352 2.769 30 40 CFEB CN(C)c1cccc(CNCc2ccc(C#N)cc2)c1 78552648 ICWNSXAFMOLDGV-UHFFFAOYSA-N 265.360 2.914 30 40 CFEB C#CCOc1c(OCC)cc(Br)cc1C(=O)O 225282058 NNCSURLZNVCFHX-UHFFFAOYSA-N 299.120 2.558 30 40 CFEB Cc1ccnc([C@@H](Nc2cccc(C#N)n2)C2CC2)n1 92692514 XHCWPKXUOKCBJE-AWEZNQCLSA-N 265.320 2.615 30 40 CFEB CC(C)(CO)/N=C/c1ccc(Br)cc1 18046021 INCPFBYQITVHEI-NTUHNPAUSA-N 256.143 2.639 30 40 CFEB N#Cc1ccc2[nH]c(I)cc2c1 206066058 PTPDIZSYEDIWFK-UHFFFAOYSA-N 268.057 2.644 30 40 CFEB CCOC(=O)C[n+]1ccc(/C=C/c2ccccc2)cc1 1713873 OCNUTEPEXQDXAN-CMDGGOBGSA-N 268.336 2.708 30 40 CFEB COc1ccc(/C=N/c2nc(C)cc(C)n2)c(OC)c1 5541381 XACMJIWDDMMNAX-CXUHLZMHSA-N 271.320 2.861 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 22475057 FFMFFOHLYJRZDH-UHFFFAOYSA-N 275.304 2.608 30 40 CFEB CNC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1 12475806 KLUFAKZRCDROLR-UHFFFAOYSA-N 273.317 2.544 30 40 CFEB O=C[C@H](C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 104215452 GWOMOBURXKPPDQ-ZDUSSCGKSA-N 269.256 2.760 30 40 CFEB CC(C)Nc1nnc(Sc2ncccc2C#N)s1 12534202 BNRWIPUKINIKKQ-UHFFFAOYSA-N 277.378 2.776 30 40 CFEB CCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N 1964985 VYXYJKGARDNOCK-UHFFFAOYSA-N 280.349 2.844 30 40 CFEB C=CCN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O 409134735 TTXXLTFBUFZXGS-NTEUORMPSA-N 270.332 2.691 30 40 CFEB C=CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 75147468 UEGYTXBBYRMOMM-UHFFFAOYSA-N 292.364 2.541 30 40 CFEB Cc1ccn2c(NCc3cccc(C#N)c3)nnc2c1 97098287 GCGILGLZIQCVCC-UHFFFAOYSA-N 263.304 2.522 30 40 CFEB C=CCC[C@H](O)CN1CCC(C(=O)c2cccs2)CC1 95966277 AWQRKZZTDMXNAT-AWEZNQCLSA-N 293.432 2.970 30 40 CFEB COC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 178662680 ONFVGJJMOHSXOR-UHFFFAOYSA-N 276.336 2.709 30 40 CFEB C=CCOc1nc2ccc(OC)cc2cc1/C=N/O 36624771 WDKLMTZFIUYYPS-OQLLNIDSSA-N 258.277 2.616 30 40 CFEB CCO[C@@H]1C[C@H](Nc2ccc(C#N)nc2)C12CCC2 195535349 YQUPAZSJXYTCKN-UONOGXRCSA-N 257.337 2.713 30 40 CFEB Cc1ccc(/N=C(/N(C)C)P(=O)(N(C)C)N(C)C)cc1 13136753 DWDOYMRXINJFMV-PFONDFGASA-N 296.355 2.860 30 40 CFEB CC(C)(C)c1c(C#N)nnc2cc(-c3ccccc3)nn12 1590871 TXVICZMOUSARCI-UHFFFAOYSA-N 277.331 2.960 30 40 CFEB CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccccc1 239880 ZOQXRPZONDVJEF-YBFXNURJSA-N 292.342 2.795 30 40 CFEB C=CCNC(=S)N1CCN(c2ccc(C)cc2)[C@H](C)C1 2778110 HQKNAPUPMHTPSO-CQSZACIVSA-N 289.448 2.566 30 40 CFEB C(=N/CCc1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 100058466 VAAVBRUGLFYBNK-GIJQJNRQSA-N 297.310 2.806 30 40 CFEB N#Cc1ccc(NC(=O)COc2ccccc2)cc1 580916 ZQYSKGZLIRXUFF-UHFFFAOYSA-N 252.273 2.576 30 40 CFEB CC1=CC(=O)/C(=C\Nc2cccc(Cl)c2)C(=O)O1 103146429 GWTLBYQARBSKRP-YRNVUSSQSA-N 263.680 2.666 30 40 CFEB COc1ccc(CC(=O)Nc2sccc2C#N)cc1F 12613807 TXGFJSHKISIMEA-UHFFFAOYSA-N 290.319 2.949 30 40 CFEB COc1cc(C)cc2c1OC/C(=C\c1csnn1)C2=O 58192936 XFLBLJPAOBJDQA-WEVVVXLNSA-N 288.328 2.514 30 40 CFEB N#Cc1ccccc1Cn1c(=O)ccc2ccccc21 70339881 PNGZSFLDECMWLZ-UHFFFAOYSA-N 260.296 2.921 30 40 CFEB CC(C)[C@@H](C#N)NC(=O)[C@@H]1SCCc2ccccc21 80165995 DXFATYZOIOUUFM-ZIAGYGMSSA-N 274.389 2.681 30 40 CFEB Cc1cc(C)n([C@@H](C)/C(O)=N/c2nc(C(C)C)nn2C)n1 71896332 AUEJWBYCLDEVIO-NSHDSACASA-N 290.371 2.601 30 40 CFEB C=CCNC(=O)[C@@H](CC)Oc1ccccc1Cl 20490036 RFFGQOOAYLDHTK-LLVKDONJSA-N 253.729 2.800 30 40 CFEB c1ccc(OCCN/C(=N\C2CC2)NC2CCCC2)cc1 72271939 ZMQQUIMYMXWRET-UHFFFAOYSA-N 287.407 2.706 30 40 CFEB CO[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 95453907 ORFGGXZKXNTKJS-JKSUJKDBSA-N 298.317 2.894 30 40 CFEB C[C@@H](C#N)NS(=O)(=O)c1ccccc1-c1ccccc1 95439289 QHRBANRJFVLBIC-LBPRGKRZSA-N 286.356 2.544 30 40 CFEB C=CCN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O 84735380 CYCTUDXPJUXJHF-AWEZNQCLSA-N 278.739 2.683 30 40 CFEB CN(C)CCN[C@@H](C#N)c1ccc(Cl)c(Cl)c1 37940744 QWWVOZVNKLOSJU-LBPRGKRZSA-N 272.179 2.709 30 40 CFEB C[C@]1(O)CC(=O)C=C(c2cccc(Br)c2)C1 40174908 IEFCYSWDVHHGST-CYBMUJFWSA-N 281.149 2.946 30 40 CFEB CCOc1cc(-c2cc(C)nc(N)c2C#N)ccc1O 19848277 DCDNUPUGFGJNGR-UHFFFAOYSA-N 269.304 2.615 30 40 CFEB CC(C)(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5541650 ORILNCDDCQWASM-KPKJPENVSA-N 266.257 2.947 30 40 CFEB N#Cc1ncn(Cc2ncc(-c3cccc(Cl)c3)o2)n1 21914670 AHZSHXNLFZDZEZ-UHFFFAOYSA-N 285.694 2.506 30 40 CFEB C=CCNC(=S)NN=Cc1ccc(Cl)cc1Cl 13371006 QHOKAGVYFAEXRV-UHFFFAOYSA-N 288.203 2.977 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1ccc(Cl)cc1 3441484 PCULAIQHZZGBRM-WUXMJOGZSA-N 252.730 2.785 30 40 CFEB CN(C(=O)[C@@H](C#N)C(=O)c1cccs1)C1CCCCC1 101093436 JMVXRCALQTUCJD-LBPRGKRZSA-N 290.388 2.862 30 40 CFEB O[C@H](ON=C1CCCCC1)c1ccc2c(c1)OCO2 6513492 KQKQTOQTHIQXOL-CQSZACIVSA-N 263.293 2.743 30 40 CFEB Cc1oc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c(C#N)c1C 25948637 FCRUTIXOBAAFRI-QWRGUYRKSA-N 289.379 2.685 30 40 CFEB N#CCSc1nnc(NCc2ccccc2)s1 3242729 DPJWBYVXNYVBCU-UHFFFAOYSA-N 262.363 2.766 30 40 CFEB N#Cc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 12980268 STQUDCRJJJMCBC-GDNBJRDFSA-N 274.279 2.903 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@H](C)Oc1ccccc1Cl 69595330 QHGWYTTYLJWDOG-QWRGUYRKSA-N 280.755 2.916 30 40 CFEB N#Cc1cccnc1NCc1ccc(NC(=O)C2CC2)cc1 14201116 PBPFEMDKCBLUTD-UHFFFAOYSA-N 292.342 2.914 30 40 CFEB N#Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7056083 YJAXONWYCHESIM-ZHACJKMWSA-N 284.340 2.971 30 40 CFEB C[C@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2ncnn21 18197839 DMNHAIQKORFNEL-DTWKUNHWSA-N 286.360 2.727 30 40 CFEB C[C@H]1CCC[C@@H](C)N1C(=O)CS/C(N)=N/C(C)(C)C 95947635 IUAIFFBDLUCICU-PHIMTYICSA-N 285.457 2.622 30 40 CFEB O/N=C(/CN1CCN(c2ccccc2)CC1)c1ccccc1 31667135 PYPLNBLUNLPOGT-HNENSFHCSA-N 295.386 2.687 30 40 CFEB COc1cccc2c1OC[C@H](NCc1cccc(C#N)c1)C2 77412437 LHQQCGHMJLPANY-MRXNPFEDSA-N 294.354 2.660 30 40 CFEB C=C(C)CN1CCN(C(=O)c2cc(C3CC3)oc2C)CC1 72398260 FCESEHUOHRWNEB-UHFFFAOYSA-N 288.391 2.799 30 40 CFEB Cn1ccnc1Cn1c(C#N)cc(N)c1Oc1ccccc1 225878745 AELHEEWDUQAEGZ-UHFFFAOYSA-N 293.330 2.516 30 40 CFEB CC(C)OCCCNC(=S)Nc1ccc(CC#N)cc1 225374774 YRKDNSHWWWZAIS-UHFFFAOYSA-N 291.420 2.854 30 40 CFEB CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)[C@@H]1CO1 12351582 QBDJHEUSBYIOGK-KGLIPLIRSA-N 277.364 2.911 30 40 CFEB C=CCCN1CCC(N(C)c2ncc(Cl)cn2)CC1 1849465237 PVZQTHAMEADVIW-UHFFFAOYSA-N 280.803 2.607 30 40 CFEB C[C@H](Oc1ccc(Cl)cc1)/C(O)=N/c1ncn[nH]1 26262095 GNGPYCYEXGULPF-ZETCQYMHSA-N 266.688 2.514 30 40 CFEB C#C[C@H](OC(=O)c1ccccc1C(=O)O)c1ccccc1 294602 SKZLSPRPOSFZKP-HNNXBMFYSA-N 280.279 2.916 30 40 CFEB CCN(CC)CCS[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965136 GVFGLOFMASWGON-IMQZKJBWSA-N 256.415 2.690 30 40 CFEB CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1 32615214 WTVTXYFMOWRSJA-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB CSc1ccc(NC(=O)CSCC#N)cc1 32766597 DANCUNIZSQOGCU-UHFFFAOYSA-N 252.364 2.604 30 40 CFEB N#Cc1ccccc1-c1nnn(Cc2ccc(Cl)cc2)n1 59639127 IMBOSNOMQRGLNK-UHFFFAOYSA-N 295.733 2.913 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccccc1 32830799 XENIWERYMMOVIK-PBHICJAKSA-N 287.407 2.561 30 40 CFEB C[C@H](C#N)Cn1nc(C(F)(F)F)c2c1CCCC2 12395644 UTZNSCGMYLGENM-MRVPVSSYSA-N 257.259 2.940 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCCOc2cccc(C#N)c2)c1 69558611 XZLYKMLXEZHQNF-CABCVRRESA-N 298.390 2.681 30 40 CFEB CCn1c2ccccc2c2nnc(SCC#N)nc21 3383988 YFFDDHZNRNUGSV-UHFFFAOYSA-N 269.333 2.615 30 40 CFEB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C#N)cc1 3348360 ATAWIGJBYXVNOR-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB CCOc1ccc(N/C(N)=N\c2nc(C)cc(C)n2)cc1 13124994 IOQYOCMKUMXUQQ-UHFFFAOYSA-N 285.351 2.550 30 40 CFEB CCOC(=O)c1c(/N=C/N(C)C)sc2c1CCCC2=O 13941930 MTVHOACKZWMVOJ-OVCLIPMQSA-N 294.376 2.665 30 40 CFEB N#CCCn1cnc2c(Cl)cc(Cl)cc2c1=O 5317013 SJJNBIUZBXSMOY-UHFFFAOYSA-N 268.103 2.617 30 40 CFEB N#Cc1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 7956158 JPCJEMMMYXJMSX-OAHLLOKOSA-N 264.284 2.500 30 40 CFEB Cc1c(/C=C2\N=C(C(C)(C)C)OC2=O)cc(C#N)n1C 96935761 CDULZEDMSIPBKP-GHXNOFRVSA-N 271.320 2.548 30 40 CFEB CC(C)(C)OCCN1C(=O)CS/C1=C/C(=O)C(C)(C)C 84139969 JIQVGNSSFOXNFY-UKTHLTGXSA-N 299.436 2.834 30 40 CFEB CSC[C@](C)(O)CNc1cc(Cl)ccc1C#N 79017143 QTVZSNHTERXKPJ-GFCCVEGCSA-N 270.785 2.738 30 40 CFEB CN(C)c1ccnc(Nc2cccc([N+](=O)[O-])c2)c1C#N 36383307 LRLLICYMPWKCQU-UHFFFAOYSA-N 283.291 2.671 30 40 CFEB C#Cc1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 31717053 VRDOYECAVMYCTL-VIFPVBQESA-N 271.238 2.574 30 40 CFEB Cc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)s1 408908128 BAZYNKFYRWOKMZ-QPEQYQDCSA-N 262.294 2.806 30 40 CFEB C=CCCCN(c1ccc(C(C)=O)cc1)S(C)(=O)=O 77239620 IPIGYJVEUPZYRJ-UHFFFAOYSA-N 281.377 2.621 30 40 CFEB C#CCOc1cccc2oc(C(=O)OCC)c(C)c12 85395603 BPLPREBCCNNRCC-UHFFFAOYSA-N 258.273 2.930 30 40 CFEB CC(=O)CNc1cc(C#N)cc(C)c1Br 96125934 SJLZJPMHLQXUFQ-UHFFFAOYSA-N 267.126 2.630 30 40 CFEB COc1ccc2c(c1)C(=O)/C(=C\c1cccnc1)O2 96418168 ZNKATZNTNCMKTQ-VGOFMYFVSA-N 253.257 2.706 30 40 CFEB CN/C(S)=N/N=C\c1c(OC)ccc2ccccc12 12416465 QVOJEHVAXZYFTL-SXGWCWSVSA-N 273.361 2.688 30 40 CFEB C/C=C\C=N\n1c(CCC)nc2ccccc2c1=O 17023969 GRUFOBAOOWKKLV-WFMCAJBGSA-N 255.321 2.759 30 40 CFEB C=CCn1ccn2nc(-c3ccc(OCC)cc3)cc2c1=O 1889201635 RXFYRJZTLAONOH-UHFFFAOYSA-N 295.342 2.748 30 40 CFEB N#Cc1ccccc1OCCN1CCc2ccccc21 34674136 YTBDUEMQZHOBPY-UHFFFAOYSA-N 264.328 3.000 30 40 CFEB CC(C)(C)OC(=O)N1CC(C#C[Si](C)(C)C)C1 1565504751 BKQNBIYQHSCSMI-UHFFFAOYSA-N 253.418 2.734 30 40 CFEB CC(=O)/C(=N/Nc1ccc(C)cc1C)C(=O)C(F)(F)F 100068028 UJIMUBYKIZDEEG-WQRHYEAKSA-N 286.253 2.792 30 40 CFEB CCOc1ccc2c(c1)C(=O)/C(=C\NCCCOC)S2 100641740 UIQNSCFDMYUGEU-GXDHUFHOSA-N 293.388 2.841 30 40 CFEB CC(=O)C(=NNc1ccccc1SCCC#N)C(C)=O 1578178 MFKSBDHJBPBFAQ-UHFFFAOYSA-N 289.360 2.638 30 40 CFEB COc1ccc(C(=O)C[n+]2ccccc2Cl)cc1 1667108 OGNNOOSQLNMMPY-UHFFFAOYSA-N 262.716 2.519 30 40 CFEB CSc1ccc(C(=O)C[n+]2cccc(C)c2)cc1 1667168 XOPBZACCDNWKEZ-UHFFFAOYSA-N 258.366 2.887 30 40 CFEB C=CCNC(=S)N[C@@H](C)c1ccc2c(c1)OCCCO2 41747991 BUNGEBNFZCIOHZ-NSHDSACASA-N 292.404 2.559 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(C(C)(C)C)cc1 100010466 WJNQGMRWDJZJEI-LCYFTJDESA-N 262.305 2.782 30 40 CFEB COC(=O)c1cccc(/N=C/c2ccccc2O)c1 22728576 AWCFPCLGTDOVEU-MHWRWJLKSA-N 255.273 2.929 30 40 CFEB O=C(OCC(F)(F)[C@@H](F)C(F)(F)F)C(F)(F)F 103542523 ZYXBRTNLGMORPQ-UWTATZPHSA-N 278.070 2.628 30 40 CFEB C=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O 1401892 NYBMHBRHJMBONN-UHFFFAOYSA-N 267.288 2.546 30 40 CFEB CCCCNC(=S)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 5119835 IKMSOJGHTWEURF-XNTDXEJSSA-N 294.380 2.583 30 40 CFEB C=C(C)CN1CCCN(C(=O)c2cccc(C)c2)CC1 65587247 LJGQBYXDTCLVOO-UHFFFAOYSA-N 272.392 2.719 30 40 CFEB CC[C@@H](C)/N=C(\N)NCc1cccc(COC(C)C)c1 65610466 ORPPRHWRFGEIHE-CYBMUJFWSA-N 277.412 2.814 30 40 CFEB CS[C@H]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)C1 96439201 CDSTXXVGWZPVFM-KGLIPLIRSA-N 289.404 2.642 30 40 CFEB Cn1cc(C2CCN(Cc3cc(C#N)ccc3F)CC2)cn1 97203215 FZRWJRDZGADAEF-UHFFFAOYSA-N 298.365 2.810 30 40 CFEB N#Cc1ccc(F)cc1CN1CCC[C@H]1c1ccc(O)nn1 528788826 LWRVMMZTDXCXKW-HNNXBMFYSA-N 298.321 2.530 30 40 CFEB Oc1nc(/C=N/Nc2ccccc2)nc2ccccc12 4369201 ZBIQYBJHOHJCRA-MHWRWJLKSA-N 264.288 2.781 30 40 CFEB C=CCOC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1 5382795 BPIMUDWIBMXRGS-QWHCGFSZSA-N 254.713 2.957 30 40 CFEB Clc1cnnc(Cl)c1N/N=C\c1ccco1 17354369 CXIBAIFNHZCLPU-QCDXTXTGSA-N 257.080 2.822 30 40 CFEB COc1ccc(/C=N/Nc2nc(C)cs2)cc1OC 4475387 MLWKMTQMFKCQSY-VGOFMYFVSA-N 277.349 2.915 30 40 CFEB CC(C)(C)c1nc(N)nc(Nc2ccccc2)c1C#N 2543607 LCHSCEJZRHIXER-UHFFFAOYSA-N 267.336 2.972 30 40 CFEB COc1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1 6961822 KIIWVRRCZBNMJX-DJKKODMXSA-N 295.346 2.576 30 40 CFEB C=CCCOCC(=O)Nc1nc(-c2ccc[nH]2)cs1 58227248 RISFXNFALQZHLF-UHFFFAOYSA-N 277.349 2.669 30 40 CFEB Cc1ccccc1/C(N)=N/OCc1cccc(F)c1 7987827 IGFPJPNKYPDMTA-UHFFFAOYSA-N 258.296 2.971 30 40 CFEB C=CCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 65608915 LHYDACCNCYUJLQ-UHFFFAOYSA-N 268.401 2.751 30 40 CFEB CCOCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 66396465 YJHGKDGALLQJIV-CQSZACIVSA-N 274.364 2.701 30 40 CFEB CC(C)(C#N)C(=O)Nc1cc2c(cc1Cl)OCCO2 71971972 HYSVUQFIAIZCOB-UHFFFAOYSA-N 280.711 2.599 30 40 CFEB Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C#N)cc2)o1 84195338 REBHGAAKPDJGMN-OAHLLOKOSA-N 296.326 2.673 30 40 CFEB N#Cc1ccc2ncc(/C=C/c3ccc([N+](=O)[O-])cn3)n2c1 84503590 AVCWYZCHIFTBHX-DUXPYHPUSA-N 291.270 2.680 30 40 CFEB CCCC(C#N)(CCC)NC(=O)c1ccc(C#N)cn1 84740379 HPTQPARNWSZEPN-UHFFFAOYSA-N 270.336 2.546 30 40 CFEB C[C@H]1CCCCN1c1ccc(-n2cnnc2)cc1C#N 226279915 IDHSRWKYFWPQRF-LBPRGKRZSA-N 267.336 2.518 30 40 CFEB CCCCn1nc(OCc2ccc(F)cc2)c(C#N)c1N 225832318 TZMGDEDLXGWAST-UHFFFAOYSA-N 288.326 2.855 30 40 CFEB C=CCN1C(=O)CC[C@@H]2[C@@H]1CCCN2Cc1ccccc1 95951343 ZFHJNQIKUPEZRX-SJORKVTESA-N 284.403 2.828 30 40 CFEB Cc1ccccc1-n1nc(C#N)c(N2CCC(C)CC2)n1 256048201 RIMIUIIXJOUDHK-UHFFFAOYSA-N 281.363 2.684 30 40 CFEB CCc1ccccc1-n1nc(C#N)c(N2CCCCC2)n1 256045988 CBZDPEPOWBANPM-UHFFFAOYSA-N 281.363 2.692 30 40 CFEB C[C@@H](CNC(=O)C1(C#N)CCCC1)N(C)Cc1ccccc1 78879059 ZQCFFBOPQMITTM-HNNXBMFYSA-N 299.418 2.707 30 40 CFEB N#CCOC(=O)c1ccccc1-c1ccccc1C#N 5144226 RKDXUISNVPVMTB-UHFFFAOYSA-N 262.268 2.906 30 40 CFEB O=C1ON=C(c2ccccc2[N+](=O)[O-])/C1=C/c1ccccc1 12375787 SBZHYFDCHPAKAI-RAXLEYEMSA-N 294.266 2.939 30 40 CFEB Cc1ccc(-n2c(C)cc(/C=N\n3cnnc3)c2C)cc1 14137936 PEKVCXXZNHLQQG-OCKHKDLRSA-N 279.347 2.876 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccccn1 16711628 PXPMTLOPTFVWHH-MHWRWJLKSA-N 255.277 2.616 30 40 CFEB Cc1cc(C)n(/N=C/c2ccc3c(c2)CCC3)c(=O)c1C#N 1606090 MFAGYBIOWGBCFV-RGVLZGJSSA-N 291.354 2.708 30 40 CFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2)cc1 16995479 MFVJICXVFFARKZ-HNNXBMFYSA-N 293.322 2.861 30 40 CFEB C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCOC2)c1 102858177 RXTBALSEBDCVBL-HNNXBMFYSA-N 295.338 2.831 30 40 CFEB COc1ccc([C@@H]2CC=C[C@@H](OC)C2(C#N)C#N)cc1 340823 CHYXEGYOWCRWJX-LSDHHAIUSA-N 268.316 2.787 30 40 CFEB CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccco1 406810 LOHXJQPWSJSHTE-UHFFFAOYSA-N 288.328 2.987 30 40 CFEB N#CCC(=O)NCCOc1cccc(Oc2ccccc2)c1 59483627 HCGXYJUXLJZWCB-UHFFFAOYSA-N 296.326 2.888 30 40 CFEB N#Cc1ccc(/C=N/Nc2nncc3ccccc23)cc1 5119699 CUQMLEWWFLTYIB-VCHYOVAHSA-N 273.299 2.947 30 40 CFEB CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N 96409497 KDEHHUTXVOSFGS-NSHDSACASA-N 295.180 2.658 30 40 CFEB N#Cc1cc(N2CCC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] 97144749 AFVILWNGKAJDGG-CQSZACIVSA-N 297.318 2.504 30 40 CFEB COc1ccc(N(C)C(=O)c2cc(C#N)c[nH]2)cc1Cl 96466347 VYJDGUBUXPHALN-UHFFFAOYSA-N 289.722 2.825 30 40 CFEB N#Cc1ccc(N2CC[C@@H](Sc3ccncc3)C2=O)cc1 98020641 ZRAIBUQMKAZOBP-OAHLLOKOSA-N 295.367 2.851 30 40 CFEB CSC(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1 96434619 KQEDYCHHOMWURH-UHFFFAOYSA-N 281.356 2.960 30 40 CFEB CO[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccsc1 96103324 LHOOZTIVILZIRS-AWEZNQCLSA-N 286.356 2.737 30 40 CFEB COC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 91981382 ZHCZEBKMXFZPCH-OAHLLOKOSA-N 253.305 2.753 30 40 CFEB COc1cc(Cl)nc(/N=C/c2ccc(O)cc2)n1 5512908 PMOJBOJNTOMFDS-VGOFMYFVSA-N 263.684 2.595 30 40 CFEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 5164673 YMQWSBGHUALGMG-NVNXTCNLSA-N 281.267 2.623 30 40 CFEB CN(C)CCCCCn1c(/C=N/O)nc2ccccc21 95115860 UXRWGVALQIYLKJ-FOWTUZBSSA-N 274.368 2.576 30 40 CFEB C[C@H]1CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 4104808 IPZPPUJQQJARAE-JVFXBBKESA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro N#Cc1cccnc1NCc1ccccc1Cn1cccn1 13012302 PMWWSHJBWKHDCV-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB N#CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 49238245 MWLJPTNBQOMTJV-UHFFFAOYSA-N 262.740 2.758 30 40 CFEB CC(=O)c1sc(N/N=C/c2cccc(O)c2)nc1C 4318502 AOICFTFKVOYZOB-VGOFMYFVSA-N 275.333 2.806 30 40 CFEB C[C@H](N)[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 70175087 CZZWCAXSEMXIGF-QWRGUYRKSA-N 263.772 2.775 30 40 CFEB CC1CCC2(CC1)NC(=O)N(/N=C/[C@H]1CC=CCC1)C2=O 8521536 DAJKSMSFVGLMGQ-SYFBYULRSA-N 289.379 2.829 30 40 CFEB Cc1nn(C)c(C)c1/C=C/C(=O)c1ccccc1O 71785171 FCJQJPSRJRLXKF-CMDGGOBGSA-N 256.305 2.639 30 40 CFEB N#CC1(COC(=O)c2coc3ccccc23)CCOCC1 97056626 CDNRJABVZHFVPY-UHFFFAOYSA-N 285.299 2.910 30 40 CFEB CC(C)C[C@H]1COCCN1c1ncc(C#N)cc1Cl 72313935 HDVZPIQYBQMLKW-LBPRGKRZSA-N 279.771 2.858 30 40 CFEB CC[C@H](C[C@H](C)CO)Nc1cccc(F)c1C#N 76084126 CRDMMSJXANOKRF-WDEREUQCSA-N 250.317 2.906 30 40 CFEB CC1(C)OB(c2cc(Cl)nc(CF)c2)OC1(C)C 307450574 PVHOMVMTLIHVEG-UHFFFAOYSA-N 271.528 2.504 30 40 CFEB N#Cc1ccnc(NC[C@H](c2ccco2)N2CCCC2)c1 32513722 FYLLJBRMVXYCNA-CQSZACIVSA-N 282.347 2.795 30 40 CFEB N#CC1(C(=O)N[C@H]2CCc3ccccc32)CCCC1 53477154 AXYJLANKSJRGIL-AWEZNQCLSA-N 254.333 2.874 30 40 CFEB Fc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1 19835409 XQWPPFJWBZMAGP-ZHZULCJRSA-N 297.377 2.977 30 40 CFEB C[C@@H](NC(=O)CSCC#N)c1cccc(Cl)c1 32687171 FPCMXSDTSIJYMS-SECBINFHSA-N 268.769 2.774 30 40 CFEB N#CCOc1ccc(NC(=O)c2cc(Cl)ccn2)cc1 25129222 IMCKYCJXAXTOMI-UHFFFAOYSA-N 287.706 2.890 30 40 CFEB Cc1cc(C)n(/N=C/c2cccc(Cl)c2)c(=O)c1C#N 49217 VPDMVPMHRPKBOX-GIJQJNRQSA-N 285.734 2.872 30 40 CFEB C=C(C)Cn1ccn(-c2cccc(Cl)c2C)c(=O)c1=O 2298048616 NDCMYIRTKBVRCA-UHFFFAOYSA-N 290.750 2.537 30 40 CFEB CC1=CC(=O)/C(=C/Nc2cccc(Cl)c2)C(=O)O1 100449245 GWTLBYQARBSKRP-XFFZJAGNSA-N 263.680 2.666 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 6433793 YEVZEJBRRBIAAC-UHFFFAOYSA-N 285.234 2.858 30 40 CFEB C=C[C@H]1C(=O)N(C)[C@H](C(C)(C)C)N1C(=O)c1ccccc1 6442021 QJCXEWZNLZBCNT-BBRMVZONSA-N 286.375 2.528 30 40 CFEB COc1ccc(OC)c(C(=O)/C=C/c2cccnc2)c1 7586993 SEBUJWGZGAITSX-FNORWQNLSA-N 269.300 2.995 30 40 CFEB O=[N+]([O-])c1ccc(F)c(/N=C/c2ccc(O)cc2O)c1 566766 PZEMTBCLMOJVPY-VIZOYTHASA-N 276.223 2.896 30 40 CFEB COc1ccc2ccc(=O)oc2c1C[C@H]1OC1(C)C 2154251 LSZONYLDFHGRDP-GFCCVEGCSA-N 260.289 2.522 30 40 CFEB endogenous,in-man C=CCNS(=O)(=O)c1ccc(OCC)c2ccccc12 2350994 LFULEVCJDKKYQO-UHFFFAOYSA-N 291.372 2.703 30 40 CFEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1O 3903099 PWZFZUPDBHKSKN-CXUHLZMHSA-N 282.303 2.723 30 40 CFEB COc1ccc(F)cc1C(=O)COc1cccc(C#N)c1 6400954 FEBJCSQDNVNMAW-UHFFFAOYSA-N 285.274 2.968 30 40 CFEB CC[C@H](C)NC(=O)CSCc1cccc(C#N)c1 7845804 JBYVIHQOFDESSK-NSHDSACASA-N 262.378 2.706 30 40 CFEB C=C[C@@H](C)NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97142994 SNVYTIDVDWQRFY-OLZOCXBDSA-N 293.436 2.711 30 40 CFEB N#Cc1c(NC(=O)[C@H]2CCOC2)sc2c1CCCCC2 95955837 QPXWNUXVQJUYCX-JTQLQIEISA-N 290.388 2.864 30 40 CFEB COc1ccc(C#N)cc1CNc1cccc(CO)c1 95990866 VUXINSAKIWJPPG-UHFFFAOYSA-N 268.316 2.671 30 40 CFEB N#CCc1cc(Br)c(F)cc1[N+](=O)[O-] 121956215 YYHGEQRVJQVTLM-UHFFFAOYSA-N 259.034 2.562 30 40 CFEB CC[Si](C#CCCCN1CCNCC1)(CC)CC 195998626 SILIKGDFKRATAG-UHFFFAOYSA-N 266.505 2.723 30 40 CFEB C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccc(C#N)cc1 96437062 WVDHEJYCIXFYAP-GFCCVEGCSA-N 295.342 2.662 30 40 CFEB N#CCC(=O)c1c(F)cc(Br)cc1F 75903723 ADHXLLTVIQZBRC-UHFFFAOYSA-N 260.037 2.824 30 40 CFEB CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCCC2)C1(C)C 103502770 OABPECDHZCEOCK-MCIONIFRSA-N 288.391 2.556 30 40 CFEB Cc1cc(SCCC#N)nc(SCCC#N)n1 5744148 HVRBCAFSXRQMJR-UHFFFAOYSA-N 264.379 2.797 30 40 CFEB CCOC(=O)C/C(=N\Nc1ccccc1)C(F)(F)F 12339361 VZFNVXSZHLNSCL-LICLKQGHSA-N 274.242 2.970 30 40 CFEB CC(=O)C1=C(O)/C(=C/C=C/c2ccccc2)OC1=O 17105781 ABKIYVGPMWZYOU-VQDMZCOGSA-N 256.257 2.542 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 5355190 YLUPTEYKJCDJHX-PPRBZMNOSA-N 277.324 2.690 30 40 CFEB C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nn1 383927 MWUAAHPENSPKCR-SFQUDFHCSA-N 262.316 2.886 30 40 CFEB CCN1C(=O)CS/C1=N/[C@@H](C)Cc1ccccc1 102112968 BNLAJLJVTJJWBR-AKCBPTIMSA-N 262.378 2.569 30 40 CFEB Cc1cc(C)c(OCC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1 32736003 ATECXQLIUXNWDO-KRWDZBQOSA-N 286.375 2.799 30 40 CFEB C/C(=N\O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 105570107 FHCPXEHVSPVQGH-DPOBWDHUSA-N 286.331 2.564 30 40 CFEB C[C@@H](CNc1c(F)cc(C#N)cc1F)CN1CCCC1=O 58192340 NKFPSCBPYTXBLK-JTQLQIEISA-N 293.317 2.507 30 40 CFEB Cc1ccc([C@H](O)CNCc2ccc(C#N)cc2)cc1 58264083 WEBAACZGNTVQHO-QGZVFWFLSA-N 266.344 2.690 30 40 CFEB N#Cc1ccc(Nc2ccc(N3CCCC3=O)cc2)nc1 14220129 NIMWZICITCVGGA-UHFFFAOYSA-N 278.315 2.824 30 40 CFEB CCOc1ccc(/C=N/Nc2ccccn2)c(O)c1 5637119 BLWYFGAOHHIXIP-MHWRWJLKSA-N 257.293 2.632 30 40 CFEB C=C(C)COCCNC(=O)Nc1cc(C(C)C)on1 89893356 NDHNGFJDQVQWDU-UHFFFAOYSA-N 267.329 2.512 30 40 CFEB C=CCN(CCc1ccccc1)CC(=O)NCCCC 60168352 WGBSZKPFYGNOAS-UHFFFAOYSA-N 274.408 2.633 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1 97163307 ICTHVHSBCKUHEH-LBPRGKRZSA-N 299.334 2.859 30 40 CFEB O=C(O)c1ccccc1/C=N/Nc1nc2ccccc2o1 72370089 DBFOMZUFUIXAHK-CXUHLZMHSA-N 281.271 2.972 30 40 CFEB N#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2)n1 95411716 JHODWOMXSMQWTF-UHFFFAOYSA-N 287.706 2.781 30 40 CFEB N#C[C@@H](NC(=O)c1ccc(F)c(Br)c1)C1CC1 95962117 IPSQNMLTBSWWLX-LLVKDONJSA-N 297.127 2.620 30 40 CFEB C=CCCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC 75092821 DCHIZWRRTWNUNP-SWLSCSKDSA-N 275.348 2.619 30 40 CFEB CCc1ccc(C(=O)/C=C/n2ccc(=N)cc2)cc1 409415747 ZDCNNSYMWHRZMR-FMIVXFBMSA-N 252.317 2.884 30 40 CFEB CCCCn1nc(Cc2ccccc2)c(C#N)c1N 225831949 GZFMEVMPCWLXAT-UHFFFAOYSA-N 254.337 2.728 30 40 CFEB Cc1c(Cl)c(Cn2cnc(C#N)n2)nc2ccccc12 14143962 ARLBDXXGEYUIHT-UHFFFAOYSA-N 283.722 2.708 30 40 CFEB Oc1cc(Br)ccc1/C=N\Nc1ccccn1 17175447 KYXALUFUJDPWOY-NVNXTCNLSA-N 292.136 2.996 30 40 CFEB C[C@H](NC(=O)/C(Cc1ccccc1)=N/O)c1ccccc1 17430176 UIUFNYVIYSLSEL-NIGUIEARSA-N 282.343 2.937 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1 5912487 FXKCXGBBUBCRPU-PAPYEOQZSA-N 252.354 2.985 30 40 CFEB biogenic,in-vitro C=CCN1C[C@H](c2nc3ccccc3n2CC)CC1=O 4943177 NPRRQJSPTFVIGK-GFCCVEGCSA-N 269.348 2.558 30 40 CFEB COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 46439676 PUIFWAQKESQKPW-ZDUSSCGKSA-N 252.273 2.580 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccc(F)cc1 100607182 HHNJPQMGMHFDGQ-LCYFTJDESA-N 283.258 2.923 30 40 CFEB CN(C/C(O)=N/c1nncs1)[C@H]1CCc2ccccc21 45810580 CHSPQRSZXYMFPG-LBPRGKRZSA-N 288.376 2.745 30 40 CFEB C=C(C)CNC(=S)NC12CC3CC(CC(C3)C1)C2 6262236 QTLIZOKJLKPFOF-UHFFFAOYSA-N 264.438 2.995 30 40 CFEB O=C1/C(=N\O)C[C@H](c2ccccc2)N1c1ccccc1 8614818 YABBQMVESTWNFA-ARSNJYAISA-N 266.300 2.995 30 40 CFEB N#Cc1c(CSc2ncccn2)cn2ccccc12 58492508 VLIYJWNFWXJTNC-UHFFFAOYSA-N 266.329 2.893 30 40 CFEB COc1cccc(CN(C)C[C@@H](C#N)CCC#N)c1OC 32514481 IRAXYYBRLNDWCD-CYBMUJFWSA-N 287.363 2.579 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1sccc1C)CCO2 107050048 CAYRBACDIOIULX-FMKPAKJESA-N 293.432 2.991 30 40 CFEB Cc1ccc(-n2c(C)nnc2SCCC#N)cc1 12509854 NPHNZDRYFFQOBR-UHFFFAOYSA-N 258.350 2.890 30 40 CFEB CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 1514818 NUKZUZWKYZWUIW-UHFFFAOYSA-N 294.310 2.987 30 40 CFEB N#Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2O)cc1 8378748 KDIFALAKCZPDKK-UHFFFAOYSA-N 297.701 2.826 30 40 CFEB CC(C)(C)C(=O)[C@@H]([C@@H](C#N)C(=S)S)[n+]1ccccc1 5379540 DKSCCGWTUOCZEU-GHMZBOCLSA-O 293.437 2.527 30 40 CFEB N#Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1 5456718 RNVHCKVZOLGRQE-UHFFFAOYSA-N 254.264 2.879 30 40 CFEB CN(C(=O)c1ccc2ncccc2c1)c1ncccc1C#N 96009557 OQVZGAFELOSZCT-UHFFFAOYSA-N 288.310 2.778 30 40 CFEB N#Cc1cccc(C(=O)OCc2noc(-c3ccco3)n2)c1 24045674 BHVAYAUZGREAAY-UHFFFAOYSA-N 295.254 2.558 30 40 CFEB CCOc1cc(Cl)ccc1C/N=C(/NC)NC1CC1 97020740 SIABTXFGIFSRRK-UHFFFAOYSA-N 281.787 2.566 30 40 CFEB Cc1nn(CCCSCc2ccccc2)c(N)c1C#N 89512693 LSPFDOQVRMFJNH-UHFFFAOYSA-N 286.404 2.969 30 40 CFEB C#Cc1cccc(NC(=O)Cn2c(C)nc3ccccc32)c1 47249731 WVVDIRWWYZOKJA-UHFFFAOYSA-N 289.338 2.965 30 40 CFEB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C#N 225793175 RBIYANRNVRWOCD-MRXNPFEDSA-N 290.363 2.957 30 40 CFEB Cc1ccccc1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 36714218 IZXFSIZOKGCKCX-UHFFFAOYSA-N 284.241 2.963 30 40 CFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2)cc1 16995477 MFVJICXVFFARKZ-OAHLLOKOSA-N 293.322 2.861 30 40 CFEB COc1cccc(-n2ccnc2S[C@H](C)C#N)c1 40024321 CSYQYARNANWZLX-SNVBAGLBSA-N 259.334 2.885 30 40 CFEB N#CC1(NC(=O)COc2ccc(Cl)cc2)CCCC1 7168250 WSNWKJYDSKFEPM-UHFFFAOYSA-N 278.739 2.671 30 40 CFEB Cc1ccc2c(CN(CC#N)C3CC3)cc(=O)oc2c1 58368963 BXCZLDFGXAAVJX-UHFFFAOYSA-N 268.316 2.589 30 40 CFEB Cc1[nH]ncc1CCCNc1ccc([N+](=O)[O-])cc1C#N 24204761 RNKYPDJBEXJFJR-UHFFFAOYSA-N 285.307 2.543 30 40 CFEB CCn1cc(C(=O)/C=C/c2cccc(C#N)c2)cn1 49274811 CJFRRGDANVYYRG-VOTSOKGWSA-N 251.289 2.671 30 40 CFEB COc1ccc(/C=N/[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 13756399 CZTMDZPKDBTDSQ-AAJZHJOBSA-N 260.381 2.843 30 40 CFEB C=CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1 9045091 IGQPVLSKYIZBMV-DHZHZOJOSA-N 261.302 2.575 30 40 CFEB C=CCNC(=S)Nc1cc(/C=C/C(=O)O)ccc1Cl 216929685 UDQSYEWWWQAZCW-GQCTYLIASA-N 296.779 2.910 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 73640131 QRFXQPZWSPFBRF-UHFFFAOYSA-N 271.228 2.645 30 40 CFEB N#Cc1ccnc(NCc2ccc(-n3ccnc3)cc2)c1 330031616 BEXNHCPQDDNMFM-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB N#CCC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 255187656 FXLADJSTEILPAD-UHFFFAOYSA-N 259.048 2.998 30 40 CFEB CCOC(=O)c1scnc1/C=C/c1ccncc1C#N 390834759 XDIGSVBNYDIFRA-ONEGZZNKSA-N 285.328 2.757 30 40 CFEB COc1cc(C#C[C@](C)(O)c2ccccc2)cc(OC)c1 95631995 BIWRGHUAVAYVPB-SFHVURJKSA-N 282.339 2.963 30 40 CFEB N#Cc1ccc(N2CCC(C(F)(F)F)CC2)nc1 88421942 LJGRRHWDDAITBU-UHFFFAOYSA-N 255.243 2.732 30 40 CFEB Cc1ccc(Cl)cc1N1CCN(CCC#N)CC1 25426737 NOTBRRREGOGQHV-UHFFFAOYSA-N 263.772 2.684 30 40 CFEB O=[N+]([O-])c1ccc(/N=C/c2cccc(O)c2O)cc1 5344194 GJIBKYAOIQXICR-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB O=C1C[C@@H](c2ccco2)CC2=N[C@H]3CCCC[C@@H]3NC=C12 5729354 CBZHXTFUQISHNY-UBHSHLNASA-N 284.359 2.965 30 40 CFEB Cc1cc(N)nc(SCc2cn3ccccc3c2C#N)n1 10323378 IKCHKRSCBVQPFZ-UHFFFAOYSA-N 295.371 2.784 30 40 CFEB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)cn2)c1 1889078533 SBRMUFKRNYPGCN-XYPWUTKMSA-N 293.374 2.831 30 40 CFEB CN(CCOc1ccccc1F)C(=O)c1cccc(C#N)c1 21963844 YEMUDTHARWKFNE-UHFFFAOYSA-N 298.317 2.848 30 40 CFEB Cc1nc(SC[C@@H](C#N)CCC#N)nc(C)c1C 8924723 QJKYKOYORNORKO-GFCCVEGCSA-N 260.366 2.938 30 40 CFEB COc1ccccc1/C(C)=C/C(=O)NC1(C#N)CCC1 66633428 FNMIXAFDRLHZLD-ZRDIBKRKSA-N 270.332 2.661 30 40 CFEB C=CCOc1cc(OC)ccc1C(=O)N(C)c1ccccn1 97379737 KJJHOZNWVSPJNJ-UHFFFAOYSA-N 298.342 2.932 30 40 CFEB C=CCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 74934940 XLASKYOQFIZAPW-UHFFFAOYSA-N 283.393 2.591 30 40 CFEB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C#N 225791033 RPUIDSHEWPGOEB-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB CCN(Cc1ccncc1)[C@H]1/C(=N\O)[C@H]2CC[C@H]1C2 257345362 YDIREJZUNLYUOQ-HPJQTSAVSA-N 259.353 2.532 30 40 CFEB COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)c(OC)c1 46439770 PHSWIHGAGUWVQD-ZDUSSCGKSA-N 282.299 2.589 30 40 CFEB Cc1noc(C)c1/N=C/c1ccccc1N1CCOCC1 58406430 IRCLUYUEKRFCPR-GZTJUZNOSA-N 285.347 2.879 30 40 CFEB Cc1ccc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc1 50827 GEMIRGRBXBRFGK-OBGWFSINSA-N 294.310 2.533 30 40 CFEB NC(=S)N/N=C/c1ccccc1Nc1ccccc1 485041 AOONCDNCCBNKAD-MHWRWJLKSA-N 270.361 2.597 30 40 CFEB C=CCN(CC=C)C(=O)c1cc2ccccc2c(=O)o1 204706 VLWDRVWFSQXROZ-UHFFFAOYSA-N 269.300 2.607 30 40 CFEB Cn1ncc2c(SCc3cc(C#N)ccc3F)ncnc21 11685840 OSKNGGDZZAQIMN-UHFFFAOYSA-N 299.334 2.666 30 40 CFEB N#CCNC(=O)CCCOc1ccc(Cl)cc1Cl 2874914 RNXRGTDTPQQEAL-UHFFFAOYSA-N 287.146 2.792 30 40 CFEB C#CC[N+]1(CC#Cc2ccc(C)cc2)CCCCC1 1296611 AGYJJYWOZQGRQG-UHFFFAOYSA-N 252.381 2.980 30 40 CFEB Cn1nccc1C1CCN(Cc2ccc(C#N)cc2F)CC1 58326288 JURRQTURIXHKNN-UHFFFAOYSA-N 298.365 2.810 30 40 CFEB CCc1nc(CO/N=C(\N)Cc2nc(C)cs2)cs1 63456448 AIVBIRACRHRSSJ-UHFFFAOYSA-N 296.421 2.502 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc3cn[nH]c23)c1 39559407 AZZNRISHSDKTRQ-UHFFFAOYSA-N 261.284 2.797 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 6315186 YYNXUAKGLVBVMP-UHFFFAOYSA-N 298.367 2.848 30 40 CFEB COc1ccccc1CN/N=C/c1ccc(F)cc1 20761922 FYHSPPKHSOXIBL-LICLKQGHSA-N 258.296 2.958 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1ccc(OC(F)F)cc1 8511552 RDLJAFPYZQKTIO-MKMNVTDBSA-N 284.291 2.733 30 40 CFEB Nc1ccccc1C(=O)/C=C/c1ccccc1C(=O)O 19074818 LEZSVLRGLJTWCO-MDZDMXLPSA-N 267.284 2.863 30 40 CFEB C=CCOc1ccccc1C(=O)N1CC[C@H](c2ncc[nH]2)C1 404295735 WZXFPMLAZQXDJY-ZDUSSCGKSA-N 297.358 2.604 30 40 CFEB CC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O 39843736 HQLGCHOOQWLIJP-FBWGLTFQSA-N 281.768 2.672 30 40 CFEB C=CCc1ccc(OCC2CCNCC2)c(OC)c1 42775561 CTLYMBFGYWADTH-UHFFFAOYSA-N 261.365 2.802 30 40 CFEB CCO[C@](C)(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1 225836213 BZEIJLYEQUCSLL-INIZCTEOSA-N 288.347 2.711 30 40 CFEB CCCc1n[nH]c(SCCOc2cccc(C#N)c2)n1 48598999 FDPZGSJXBUFJCI-UHFFFAOYSA-N 288.376 2.800 30 40 CFEB O=C(O)CSC(F)(F)C(F)(F)C(F)(F)F 2529910 QGUZLZPSVHUJGC-UHFFFAOYSA-N 260.130 2.595 30 40 CFEB O=C1C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 100748916 VIIZFHNFVPCNFM-UHFFFAOYSA-N 294.266 2.970 30 40 CFEB CC(=O)NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O 3106564 HTVDEBUREUWAOW-UHFFFAOYSA-N 291.306 2.613 30 40 CFEB C[C@H](OCCCNC(=O)C(C)(C)C#N)c1ccccc1 40543054 IRFGVXRWNMOERQ-ZDUSSCGKSA-N 274.364 2.820 30 40 CFEB C=CCNc1oc(COc2ccccc2F)nc1C#N 1805373 XHCQKPJRECVRTC-UHFFFAOYSA-N 273.267 2.862 30 40 CFEB CC(C)N1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 12634160 WMQTVQLHHGCOCH-UHFFFAOYSA-N 288.351 2.751 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CCc1ccc(F)cc1 58392264 HJSYNJYDFVSARK-LBPRGKRZSA-N 262.328 2.766 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3555969 OFUKZQCJOIPEMB-UHFFFAOYSA-N 282.255 2.823 30 40 CFEB CCc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 7057501 INBNMBDBLDBYLD-UHFFFAOYSA-N 286.356 2.921 30 40 CFEB O=C(C/C(=N/O)C(F)(F)C(F)F)c1ccccc1O 18101577 IFWZTVMWSVYORW-SXGWCWSVSA-N 279.189 2.696 30 40 CFEB CC[C@H](C#N)NC(=O)C[C@@H]1CCCc2ccccc21 71888271 QJELLYUZKDAGQO-UONOGXRCSA-N 256.349 2.915 30 40 CFEB C=C(Cl)Cn1ccnc1[C@H](O)c1ccc(F)cc1 189474929 WVDIIVUHHKAKQX-GFCCVEGCSA-N 266.703 2.856 30 40 CFEB C[C@H](OCC1CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665185 VKJSROZTHMCIQC-NSHDSACASA-N 289.379 2.868 30 40 CFEB CCOC(/C=C/c1ccccc1)=C1\C(=O)C=C(OC)C1=O 96023600 BEDCQNBTLHLBEP-WAJBHNFBSA-N 284.311 2.673 30 40 CFEB CCOC(=O)C(Cl)=NNc1ccccc1Cl 252619886 LTPRVINQSYJPIR-UHFFFAOYSA-N 261.108 2.867 30 40 CFEB Cn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 7343382 COHADZRSKNEVDB-MHWRWJLKSA-N 295.302 2.928 30 40 CFEB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](N)Cc3ccccc3)O[C@@]12C 256603691 VBPSRSJQIVBEOE-AAEZLKGMSA-N 299.223 2.824 30 40 CFEB CC1=C/C(=N\OC(=O)Cc2ccccc2)C(C)=CC1=O 12377463 KSNGSFQKJUINFE-SAPNQHFASA-N 269.300 2.604 30 40 CFEB O=C1/C(=C/c2cccs2)CS(=O)(=O)c2ccccc21 28912671 IHTMHSKDVMZPLC-CSKARUKUSA-N 290.365 2.802 30 40 CFEB C=C(Br)CN(C#N)CC(=C)Br 1639297 DWJXPPTZAASZMF-UHFFFAOYSA-N 279.963 2.587 30 40 CFEB C=CCNC(=S)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 6394375 JBSXSUZAIYIDJQ-BXUZGUMPSA-N 252.427 2.948 30 40 CFEB C#CC(CC)(CC)NC(=O)c1ccc(-n2cccn2)cc1 32721326 XGDKATLICBUOSQ-UHFFFAOYSA-N 281.359 2.794 30 40 CFEB Cc1ccc(NC(=O)[C@@H](C#N)Cc2cccnc2)cc1 420078 YYZPHSYDHFGUKH-CQSZACIVSA-N 265.316 2.711 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cc(C)cc(C)c1 100415030 WWRHUTAZABPCJA-PTNGSMBKSA-N 254.717 2.831 30 40 CFEB O=C(O)COc1ccc(/C=N/c2cccnc2)cc1Cl 59249714 TTYADNGOUCSSGH-REZTVBANSA-N 290.706 2.949 30 40 CFEB N#Cc1cccc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 107362159 QATPIIDOUNOPFC-IMIFBBOLSA-N 252.317 2.789 30 40 CFEB N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 58304899 QWBMJSKAUAZBOZ-SECBINFHSA-N 284.410 2.525 30 40 CFEB N#Cc1ccccc1Cn1nnc(-c2ccccc2Cl)n1 5221879 WERIAAQJFOTGEP-UHFFFAOYSA-N 295.733 2.913 30 40 CFEB C=CCn1c(=N)n(CCN2CCCCC2)c2ccccc21 4550115 KXKUGMWFOBXNDV-UHFFFAOYSA-N 284.407 2.594 30 40 CFEB C#CCOc1ccccc1[C@H]1NC(=O)c2ccccc2N1 9605231 SXATXBVGIBHUIT-MRXNPFEDSA-N 278.311 2.553 30 40 CFEB Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)no1 95350328 UIINEAPNTGAICE-UHFFFAOYSA-N 296.374 2.567 30 40 CFEB N#CCN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)C1CC1 95404730 DDVBLALONHQGOT-AEFFLSMTSA-N 280.371 2.795 30 40 CFEB COc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c(F)c1 95096112 URNFQTIYNZFDTH-LDYMZIIASA-N 280.217 2.853 30 40 CFEB C[C@H]1CN(Cc2cc(C#N)cs2)C[C@@H](C)S1 92541280 PBQCELKUXAOZFI-AOOOYVTPSA-N 252.408 2.946 30 40 CFEB CSC(=NC#N)Sc1ccc([N+](=O)[O-])cc1 256080948 RFQIKDFVZRXRIQ-UHFFFAOYSA-N 253.308 2.887 30 40 CFEB CN(C)[C@H](CNc1ccc(C#N)cc1)c1ccco1 280480909 NVNXNZBLLLKPGH-CQSZACIVSA-N 255.321 2.866 30 40 CFEB C/C(=C\C(O)=N\S(=O)(=O)C(C)C)c1ccc(F)cc1 96313772 ANQDARKBJQBIHQ-CSKARUKUSA-N 285.340 2.924 30 40 CFEB CN(CCCC(C)(C)C#N)C1CCC(CO)CC1 95442073 PGNSXAGIBLDSDZ-UHFFFAOYSA-N 252.402 2.799 30 40 CFEB CC(C)[C@@H](/N=C/c1cc(Cl)ccc1O)C(=O)O 17429989 XGKRTQSMOMJPIE-JBARUQGQSA-N 255.701 2.574 30 40 CFEB Cc1ccc(C(=O)/C=C(\Nc2ccccc2N)C(=O)O)cc1 2304009 PNZHGWLRXBKWPP-GDNBJRDFSA-N 296.326 2.841 30 40 CFEB N#Cc1ccc(F)c(COC(=O)COc2ccccc2)c1 11149061 HGKJXVGWIGHBBX-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB C[C@H](CN(C)C)C(=O)/C=C\c1ccc(F)c(F)c1 17175548 KCCPYEKUXVMZAM-ONRRBMGISA-N 253.292 2.745 30 40 CFEB C#C[C@](C)(CC)NS(=O)(=O)c1ccc(C)c(C)c1C 32920 JNPWVDARWXOOJJ-OAHLLOKOSA-N 279.405 2.692 30 40 CFEB C=CCOc1cc(Br)c(C#N)cc1OC 6180668 DDOVGHOSCFIFAK-UHFFFAOYSA-N 268.110 2.894 30 40 CFEB Cc1ccc(C#N)c(SCC[C@H]2CCCN2C)n1 6388007 RZTGLWWWMAGQMH-CYBMUJFWSA-N 261.394 2.838 30 40 CFEB C/C(Nc1ccc(C)c(C)c1)=C1/C(=O)O[C@H](C)C1=O 102756150 MZIMDAAYARVPID-COVOJHCQSA-N 259.305 2.504 30 40 CFEB O=S(=O)(/N=C(\O)Cc1cccs1)c1ccccc1 46708495 RAXZNQDPDFPEKZ-UHFFFAOYSA-N 281.358 2.636 30 40 CFEB CCN/C(S)=N/N=C/c1ccc(OC(C)C)cc1 2888679 XTOBFUWCSQPLRV-OQLLNIDSSA-N 265.382 2.703 30 40 CFEB c1ccc(/N=N\C(=N/Nc2nnn[nH]2)c2ccccc2)cc1 100668707 CMGSWPMEQNAYSM-RLPANUFMSA-N 292.306 2.757 30 40 CFEB CC(C)CCOc1ccc(/C=N/N2CCOCC2)cc1 3245679 FPDCYHPIQKXQGQ-GHRIWEEISA-N 276.380 2.778 30 40 CFEB C=CCNCc1cc(Cl)cc(Cl)c1OCC(=O)O 62716996 GAKIAFSMRXVQHU-UHFFFAOYSA-N 290.146 2.732 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)c2c(c1)OCO2 58265013 QHKPOXPHOCFQHL-VIFPVBQESA-N 294.738 2.690 30 40 CFEB C=CCn1c(SCC#N)nnc1-c1ccccc1OC 5131455 MUAOVGRNOKARKO-UHFFFAOYSA-N 286.360 2.755 30 40 CFEB COc1ccc(/C(C)=N/Nc2nccnc2Cl)cc1 5289573 LKIIGDKMHCLJQQ-RQZCQDPDSA-N 276.727 2.975 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc([N+](=O)[O-])o1 5559175 RMIZYBFOSYUAFL-DSYGGWDXSA-N 251.286 2.785 30 40 CFEB COc1ccc(/C=N/N=C2/CCCCCN2)c(OC)c1 5670261 VWBBFTXEJVVUKL-GZTJUZNOSA-N 275.352 2.600 30 40 CFEB CC(=O)Nc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 72037034 QYWQBHRJZOLMKJ-UHFFFAOYSA-N 293.326 2.793 30 40 CFEB N#Cc1c(CN(C[C@@H]2CCOC2)C2CC2)cn2ccccc12 71850384 BSSOBVYIUDQYFX-AWEZNQCLSA-N 295.386 2.812 30 40 CFEB COc1ccccc1C[C@H](C)CC(=O)NC1(C#N)CCC1 71884606 CXDMAZBOWRFXET-ZDUSSCGKSA-N 286.375 2.826 30 40 CFEB C=CCNC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222577707 BEHSBMIMCFMZDT-UHFFFAOYSA-N 271.295 2.507 30 40 CFEB Cc1cc(C)cc(-n2nc(C#N)c(N3CCCCC3)n2)c1 256049151 YLHGPDZBRCCLLQ-UHFFFAOYSA-N 281.363 2.746 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCCOCCc1ccccc1 71185054 VCFIODDJCYQBGX-INIZCTEOSA-N 288.391 2.834 30 40 CFEB CCc1ccc([C@H]2COCCN2CCCCC#N)o1 96413001 PPFWYDWWODHJIO-CQSZACIVSA-N 262.353 2.909 30 40 CFEB Cc1ccc(/N=C/c2ccccc2OCC(N)=O)cc1C 361327 CSXNTSMXHVWNDU-VXLYETTFSA-N 282.343 2.918 30 40 CFEB Cc1cc(C)n(C(=O)C(F)(F)C(F)(F)C(F)(F)F)n1 5536643 IQSPURZBKUQJLI-UHFFFAOYSA-N 292.154 2.973 30 40 CFEB biogenic O=C(O)/C(=N/c1ccccc1C(=O)O)c1ccccc1 17161512 SYZOJEHDGPQBDK-DTQAZKPQSA-N 269.256 2.590 30 40 CFEB C=C(C)CNC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F 156850741 QOYHZAXCKWIDKY-JTQLQIEISA-N 296.342 2.779 30 40 CFEB Cc1ccccc1NC(=O)CO/N=C/c1ccccc1 6218262 HGUIRINYXPUOPC-GZTJUZNOSA-N 268.316 2.984 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2\Cc3ccccc32)c([N+](=O)[O-])c1 13407477 PXGLBEHXEGXBEJ-DTQAZKPQSA-N 298.258 2.875 30 40 CFEB Cc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1 2571280 LBPXERJAGSIVOP-RVDMUPIBSA-N 259.330 2.803 30 40 CFEB O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1O 213931 KQTRFZPOCHAMMM-OAHLLOKOSA-N 292.298 2.586 30 40 CFEB O=C(O)c1cc(/N=C/c2cccc([N+](=O)[O-])c2)ccc1O 3154011 OCRMLXPYRWVUNR-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc[nH]1 57416667 KTMUVHSWSGMUBL-LICLKQGHSA-N 288.376 2.734 30 40 CFEB CC(C)c1cc(C(=O)N(C)C[C@H](C)C#N)nn1C(C)(C)C 58330973 LMDOUKKLENDVTR-GFCCVEGCSA-N 290.411 2.993 30 40 CFEB Cn1cc([C@H]2CCCN2Cc2cc(C#N)ccc2F)cn1 69773730 XBBGQYPGEHJART-MRXNPFEDSA-N 284.338 2.768 30 40 CFEB COc1ccc(C(=O)c2c(N)c(C#N)c3ccccn23)cc1 8844902 PQSQCKQVVSOKPM-UHFFFAOYSA-N 291.310 2.633 30 40 CFEB N#Cc1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 9836471 HKFDPQDTJJVFBT-KRWDZBQOSA-N 292.338 2.741 30 40 CFEB N#Cc1cc(F)c(N[C@H](CO)c2ccccc2)c(F)c1 78850389 STHQMKOZHOBCEK-CQSZACIVSA-N 274.270 2.982 30 40 CFEB N=C(NN/C=C/C(=O)c1ccccc1)c1ccccc1 409062237 QLISWWXPECBIFX-VAWYXSNFSA-N 265.316 2.503 30 40 CFEB CC(C)(C)n1nc(COCc2ccccc2)c(C#N)c1N 40448494 UFZASFRIBDDFHZ-UHFFFAOYSA-N 284.363 2.809 30 40 CFEB C=C(Br)CSc1nnc(C)c(C)c1C#N 96500569 VSTXIKYPCZCMTK-UHFFFAOYSA-N 284.182 2.966 30 40 CFEB CC[C@H](/C(=N/O)c1cccc(Cl)c1)S(=O)(=O)CC 96524594 FDDITVFWNSOLJN-UWYSJPFYSA-N 289.784 2.732 30 40 CFEB COc1cccc(C2=CCN(c3ccc(C#N)cn3)C2)c1 242339314 ZGTOVHXWKUMFBA-UHFFFAOYSA-N 277.327 2.865 30 40 CFEB C[C@H]1CCC[C@](C#N)(NC(=O)c2cnn(C(C)(C)C)c2)C1 71909778 ZSBWSZHACMPMCR-LRDDRELGSA-N 288.395 2.840 30 40 CFEB Cc1c(C(=O)OCC2(CC#N)CC2)cccc1[N+](=O)[O-] 78949146 KDCLNLIYHXWVQK-UHFFFAOYSA-N 274.276 2.754 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 1415992 JSSHKXJJBWGMMJ-VURMDHGXSA-N 296.329 2.575 30 40 CFEB CCOC(=O)CC/C(C)=N\Nc1ccccc1[N+](=O)[O-] 16682791 QWDGIVFMSISJIO-UVTDQMKNSA-N 279.296 2.726 30 40 CFEB N#Cc1ccc(CSc2nnnn2C2CCCC2)cc1 12745894 OTYUNHQWXVXZQC-UHFFFAOYSA-N 285.376 2.952 30 40 CFEB C=CCCn1ccn(-c2cccc(Cl)c2C)c(=O)c1=O 2298049610 HJSZTNSXNJHDAF-UHFFFAOYSA-N 290.750 2.537 30 40 CFEB CCCCCCCn1c(=N)n(CCO)c2ccccc21 101066286 CPCXUBDLYLCVFW-UHFFFAOYSA-N 275.396 2.885 30 40 CFEB COc1cccc(/C=N/n2c(N)nc3ccccc32)c1OC 266125 YYALGRBIWHKNEH-VCHYOVAHSA-N 296.330 2.518 30 40 CFEB CC(C)CC/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 48519486 SEVUGCJUJKZWNL-UHFFFAOYSA-N 280.349 2.640 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCc2ccccc21 63094585 YWGCNLDPMRUGIB-WFASDCNBSA-N 256.349 2.867 30 40 CFEB C[C@H](CC#N)N(C)C(=O)[C@H]1CCCc2ccccc21 63094586 YWGCNLDPMRUGIB-DOMZBBRYSA-N 256.349 2.867 30 40 CFEB CCNC(=S)N/N=C1/CCCCc2ccccc21 6401263 MJIYVYXPXBHANR-SSZFMOIBSA-N 261.394 2.601 30 40 CFEB CCCCSc1nc(-c2ccco2)c(C#N)c(=O)[nH]1 14129673 HRDHHSHBKKRFAZ-UHFFFAOYSA-N 275.333 2.794 30 40 CFEB CC(C)=NNc1nnc2c(n1)[nH]c1ccc(C)cc12 6556940 AKDFONHDOPGHRN-UHFFFAOYSA-N 254.297 2.622 30 40 CFEB C=CCn1c([C@@H]2CC(=O)N(CC3CC3)C2)nc2ccccc21 8793624 QWYCAXAVAJNNOF-CQSZACIVSA-N 295.386 2.948 30 40 CFEB Cc1cccc(/C=C/C(=O)c2ccccc(=O)c2O)c1 19909632 KEONEUMDAWDQQY-MDZDMXLPSA-N 266.296 2.957 30 40 CFEB C=CCNc1cccc(CS(=O)(=O)C(C)C)c1 89890979 ZZFAYPZKRCCPBS-UHFFFAOYSA-N 253.367 2.608 30 40 CFEB C=CCOC1CCN(C(=O)CCc2csc(C)n2)CC1 84274600 BTQZSABPXFXPSI-UHFFFAOYSA-N 294.420 2.578 30 40 CFEB CC[C@H](Oc1ccccc1C(C)C)/C(O)=N/S(C)(=O)=O 78602915 GWJZTXSMJXPYCK-LBPRGKRZSA-N 299.392 2.884 30 40 CFEB C=CCNC(=S)Nc1cccc(C(=O)OCC)c1C 225277028 HKIVKRNTRDIUMG-UHFFFAOYSA-N 278.377 2.644 30 40 CFEB C#CCCCCC(=O)N1CCSc2ccncc21 97101450 NAKYYGWHYGLEHK-UHFFFAOYSA-N 260.362 2.714 30 40 CFEB O=C(OCCCC(F)(F)C(F)(F)F)C(F)F 98210597 BRARIYUBINSNOP-UHFFFAOYSA-N 256.117 2.773 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nccnc2c1 620317636 VCCZZCYQXSQRBM-OKILXGFUSA-N 279.343 2.953 30 40 CFEB O=[N+]([O-])c1ccc2cnn([C@@H]3/C(=N/O)[C@H]4CC[C@@H]3C4)c2c1 16448852 QIQAHKJQTWPJMH-UGRHMXQKSA-N 286.291 2.746 30 40 CFEB N#Cc1ccccc1NC(=O)CCSc1nncs1 19847672 CXHXIVUWEWEQEW-UHFFFAOYSA-N 290.373 2.531 30 40 CFEB C=C(C)Cn1cnc2c(oc3nc(C)c(C)cc32)c1=O 32124112 IDYSRDKQYHCSOP-UHFFFAOYSA-N 269.304 2.731 30 40 CFEB biogenic C=CCNC(=S)Nc1ccc(OC)c(Cl)c1 6847111 XIPDUBSUIHZROV-UHFFFAOYSA-N 256.758 2.821 30 40 CFEB N#Cc1nc(-c2ccco2)oc1NCc1cccnc1 539372 WYZNGXXNVPUPQM-UHFFFAOYSA-N 266.260 2.813 30 40 CFEB N#Cc1ccc(OCCCNc2ccc(C(N)=O)cc2)cc1 55830912 MBHULIIZSMFYBD-UHFFFAOYSA-N 295.342 2.538 30 40 CFEB COc1cc(C(=O)N(CC#N)C2CC2)ccc1OC(C)C 58280011 ABSAWCVGIRXUOT-UHFFFAOYSA-N 288.347 2.611 30 40 CFEB N#C[C@@H](NC(=O)CSC(F)(F)F)c1ccccc1F 65490765 FPRPGBVTJPIUPW-SECBINFHSA-N 292.257 2.760 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)c(OC)c1 4827889 XRDWLIQMQTXZEJ-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB N#Cc1cccc(CN2CCCN(c3nccs3)CC2)c1 71830499 KRXBWESYWYAZCT-UHFFFAOYSA-N 298.415 2.727 30 40 CFEB Cc1cccc(-n2nnnc2SCCCC#N)c1C 60594843 KLCSFDPZZJKWCN-UHFFFAOYSA-N 273.365 2.675 30 40 CFEB COc1cc(/C=N/NCc2ccccc2OC)ccc1O 20761416 LRWPPNGBYKVQJM-LICLKQGHSA-N 286.331 2.533 30 40 CFEB C[C@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)N(C)CCC#N 195561293 RHZITJPNGJJSFI-UWVGGRQHSA-N 299.827 2.813 30 40 CFEB CCOC[C@@H](O)CSc1ccc(C#N)cc1Cl 193817810 RHINIUWVARZVKX-SNVBAGLBSA-N 271.769 2.701 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cc(C)c(C)o1 96041528 ZHRRZTWZVWQYMD-GVDBMIGSSA-N 291.391 2.831 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccoc1)C2 96049997 GTISTFXHHJIWPK-KRWDZBQOSA-N 288.391 2.813 30 40 CFEB COc1cccnc1N(C)C(=O)C1(C#N)CCCCC1 95435488 KTKWWDQMFPEQEZ-UHFFFAOYSA-N 273.336 2.527 30 40 CFEB COc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 642814687 RIBUWMLSERGBLY-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB N#CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68767454 CMACJVOSASJAQL-BDAKNGLRSA-N 269.131 2.737 30 40 CFEB N#CCC(=O)c1cccc(C(F)(F)F)c1[N+](=O)[O-] 169801714 ZIRCVHLMPOJNNH-UHFFFAOYSA-N 258.155 2.710 30 40 CFEB C=C(Cl)CN1CCN([C@@H](C)c2cccnc2)CC1 96424730 XEBCLVKONRUKEE-ZDUSSCGKSA-N 265.788 2.513 30 40 CFEB CCC(=O)O/N=C(\c1ccccc1)c1cccnc1 17021305 CZDLYNVMEFQFDN-BMRADRMJSA-N 254.289 2.787 30 40 CFEB CS/C(=N/C#N)Nc1ccc(OC(F)F)cc1 18095835 CLVCAPGSNBUACR-UHFFFAOYSA-N 257.265 2.900 30 40 CFEB COc1ccc(/C(=N\O)c2ccc(C)cc2O)cc1 8302132 AQLYKRMOMQHGSH-FOCLMDBBSA-N 257.289 2.936 30 40 CFEB COc1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 11399954 HXFKCMYQFSDAAG-LBPRGKRZSA-N 296.326 2.973 30 40 CFEB Cc1noc(NC(=O)Nc2ccccc2F)c1C#N 1572811 XKXNHDFGHFCRBG-UHFFFAOYSA-N 260.228 2.638 30 40 CFEB in-vitro C=CCNC(=S)N(C)Cc1ccccc1Cl 6375439 RPICQOVXIRPFAM-UHFFFAOYSA-N 254.786 2.832 30 40 CFEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccsc2)cc1 102752347 KCNFMYJVUHGZBZ-AWEZNQCLSA-N 298.367 2.695 30 40 CFEB COC(=O)c1c(C)cccc1NC(=O)c1cccc(C#N)c1 21975654 QJIZIVZFWOGMAP-UHFFFAOYSA-N 294.310 2.906 30 40 CFEB O/C(Cc1ccccc1)=N\c1nc(C(F)(F)F)n[nH]1 26254507 QHDRIQIGNVARAP-UHFFFAOYSA-N 270.214 2.654 30 40 CFEB N#Cc1ccc(OCc2ccccc2C(=O)O)cc1 4107691 XXPXYLDUCNJAGN-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB N#Cc1ccccc1NC(=O)CNc1ccccc1F 9690964 RNQJWPOFUYFYMZ-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N 9594866 UVGNZWRRLQVEIY-UHFFFAOYSA-N 265.744 2.538 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)Cc1cc(C)on1 89960224 PQKKRQHABWZWAG-UHFFFAOYSA-N 298.346 2.858 30 40 CFEB N#Cc1cc(N2CCC[C@H](n3cccn3)C2)ccc1[N+](=O)[O-] 97144751 AFVILWNGKAJDGG-AWEZNQCLSA-N 297.318 2.504 30 40 CFEB Cc1ccc(C)n1-c1sccc1C(=O)OCC#N 22532647 HTAQJFUKIOFXPE-UHFFFAOYSA-N 260.318 2.836 30 40 CFEB O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\O 34633957 RJIBTAMXAXHIAN-WAVHTBQISA-N 295.273 2.793 30 40 CFEB CC[C@H](C)CS(=O)(=O)/N=C(\O)Cc1ccc(F)cc1 79029192 UEGTVVFMBGDYIO-JTQLQIEISA-N 287.356 2.701 30 40 CFEB C=CCNC(=S)Nc1ccc(Cl)cc1C(=O)O 216931221 YLJNNIIHNMBVPX-UHFFFAOYSA-N 270.741 2.511 30 40 CFEB CS(=O)(=O)/N=C(\O)CCc1ccc(Cl)c(Cl)c1 78979028 NKZMYYLWKQRUBD-UHFFFAOYSA-N 296.175 2.842 30 40 CFEB C#Cc1cccc(OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 199744132 MSJMPPYGDFXHFV-UHFFFAOYSA-N 281.267 2.838 30 40 CFEB COc1ccc(COc2nn(C(C)C)c(N)c2C#N)cc1 225831732 DUYBAOYAELBRDZ-UHFFFAOYSA-N 286.335 2.505 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccncc1)C2 96050015 JGOBOVWGQTXYDI-SFHVURJKSA-N 299.418 2.615 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](C#N)C2)C1 260813002 UDWXJBGBCPVEAE-SMDDNHRTSA-N 250.342 2.937 30 40 CFEB O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccco1 100307373 ZRNFJGOYDFSEAA-UHFFFAOYSA-N 295.338 2.969 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccccc2N)C(=O)C1 100712451 GWQIUGLUQRDCBW-UHFFFAOYSA-N 258.321 2.523 30 40 CFEB CS/C(=N\C#N)N1CCN(c2ccccc2Cl)CC1 100922983 XGKXADWOSTYPNN-SSZFMOIBSA-N 294.811 2.662 30 40 CFEB CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c1ccc(C)cc1 3471619 VJMSQBKJPCHTJT-UHFFFAOYSA-N 289.356 2.600 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1cccs1 6926680 WDNWRRYSBLFAJP-HBNTYKKESA-N 278.377 2.738 30 40 CFEB C(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1 501484 UEOWDJAYKPCTHR-VCHYOVAHSA-N 264.288 2.953 30 40 CFEB COc1ccc(C(=O)/C=C(\O)c2cccnc2)cc1 103712976 OCQATTRBSAPVBZ-DHDCSXOGSA-N 255.273 2.872 30 40 CFEB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=S)NC2CC2)C1 103386796 YGFSLMHZWVNHAG-KDUNNAQNSA-N 263.410 2.901 30 40 CFEB CCOC(=O)C1=C2C(=CC1=O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H]2C 104098515 HUINLMNLDWXWDJ-ZRUFSTJUSA-N 262.349 2.913 30 40 CFEB CCCCN(C)CCC(=O)Nc1sccc1C#N 24165837 PGJNQILATKJVBK-UHFFFAOYSA-N 265.382 2.680 30 40 CFEB Cc1ccoc1C(=O)OCCOc1ccc(C#N)cc1 25054951 ZTPRIAXADVRXGB-UHFFFAOYSA-N 271.272 2.696 30 40 CFEB COc1cccc(C(=O)OCc2ccc(C#N)cc2)c1OC 3385258 CUDZZJBHRAZKSW-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB CC(=O)Nc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 5070655 WCQWKYOHCHYXTQ-LICLKQGHSA-N 293.330 2.967 30 40 CFEB C[C@H]1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1 5163837 UDCLGSNSBZNERV-DLGQCPFBSA-N 266.366 2.531 30 40 CFEB Cc1csc([C@H](C#N)C(=O)c2ccc3cc[nH]c3n2)n1 96013396 ODNCZYGSDGLXOY-SNVBAGLBSA-N 282.328 2.818 30 40 CFEB CC(C)c1nn2c(N)c(C#N)cnc2c1-c1ccccc1 20636048 FXMODKCSFNRCRD-UHFFFAOYSA-N 277.331 2.974 30 40 CFEB Nc1nc(SCC#Cc2ccc(C(F)(F)F)cc2)n[nH]1 96461136 IFVGPWGMDZGHNG-UHFFFAOYSA-N 298.293 2.550 30 40 CFEB COCCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499659 HJXHJLZEGRZWBR-UHFFFAOYSA-N 286.253 2.942 30 40 CFEB CCC/C(CC)=N\NS(=O)(=O)c1ccc(C)cc1 16923760 HWIYBDSNQIAUCU-OWBHPGMISA-N 268.382 2.839 30 40 CFEB C=CCCCCCCCC[C@@H](C(=O)O)[C@@H](O)CC(=O)O 31166414 ZFABEUFWUOOQMI-OLZOCXBDSA-N 286.368 2.830 30 40 CFEB biogenic,in-vitro N#Cc1ccc(NC(=O)CCN2CCCCCC2)cc1 19846769 MPRNWQBRFYIDKD-UHFFFAOYSA-N 271.364 2.763 30 40 CFEB C[C@H]1c2cccn2CCN1C(=O)c1ccc(C#N)cc1 29379062 ZVNXNOKSKWAIHL-LBPRGKRZSA-N 265.316 2.577 30 40 CFEB COc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1 6566460 CKFSOHCIIFDNID-RIYZIHGNSA-N 262.700 2.585 30 40 CFEB COc1ccc2c(c1)C(=O)[C@]1(CC2)O[C@@H]1c1cccnc1 4774145 HCJLUWDSJCXYEY-SJORKVTESA-N 281.311 2.729 30 40 CFEB C=CCOc1ccc(CNCCCN(C)C)cc1OCC 8254458 SATOZEBJGCEWJK-UHFFFAOYSA-N 292.423 2.691 30 40 CFEB CC(=O)SCC(=O)[C@@H](C#N)c1nc2ccccc2s1 9452488 SSEVHGUKMVOHRD-SECBINFHSA-N 290.369 2.752 30 40 CFEB COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 517527 WZFMANOGYLDCFN-GFCCVEGCSA-N 299.370 2.942 30 40 CFEB biogenic Cc1oc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)c(C#N)c1C 25948626 FCRUTIXOBAAFRI-GHMZBOCLSA-N 289.379 2.685 30 40 CFEB CCc1nc([C@@H](C#N)C(=O)C[C@@H]2CCCO2)sc1C 48763830 SUDDPTCZKINPDC-QWRGUYRKSA-N 278.377 2.759 30 40 CFEB O=C1CS/C(=N\N=C\c2ccco2)N1c1ccccc1 13551492 AHKAKXABIDTLGM-SMZCMUPTSA-N 285.328 2.750 30 40 CFEB CN(Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 14094694 KKAHBRWAAAHRPE-MRXNPFEDSA-N 294.354 2.830 30 40 CFEB CC(C)[C@@H](C#N)NC(=O)[C@H]1SCCc2ccccc21 80165986 DXFATYZOIOUUFM-KGLIPLIRSA-N 274.389 2.681 30 40 CFEB C[C@H](NS(=O)(=O)c1ccccc1C#N)c1cccs1 7309020 FBYDESPEEODSHM-JTQLQIEISA-N 292.385 2.659 30 40 CFEB in-vitro CC(=C/c1ccccc1)/C=N/N1C(=O)CSC1=S 15932095 IAMIWRZQJRNCKX-GBJAUHPPSA-N 276.386 2.936 30 40 CFEB C#CCOc1ccc(F)cc1NC(=O)/C=C/c1cccnc1 96423523 QCJYYUXUDHOIDN-VMPITWQZSA-N 296.301 2.885 30 40 CFEB C[C@H](NCC(=O)NC1(C#N)CCCC1)[C@@H](C)c1ccccc1 97110046 CENMEDFABCGRCH-CABCVRRESA-N 299.418 2.721 30 40 CFEB CC(C)(C)OC(=O)NC[C@@H](C=O)Cc1ccccc1 98095862 MTVNKVWVSFOLID-ZDUSSCGKSA-N 263.337 2.569 30 40 CFEB N#Cc1ccc(N[C@H]2CCC[C@H]2C(=O)O)cc1Cl 85328931 HPSFBLICTYZGNM-PWSUYJOCSA-N 264.712 2.877 30 40 CFEB CC(C)(C#N)N1CCN(c2ccc(Cl)cc2)CC1 31666662 VGVISBKTFDKEST-UHFFFAOYSA-N 263.772 2.764 30 40 CFEB C[C@H](C[S@@](C)=O)Nc1cc(C#N)ccc1C(F)(F)F 129616853 HJOFLQMIVBKMMS-YLVJLNSGSA-N 290.310 2.756 30 40 CFEB N#Cc1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 80873523 QJWBUSLYHAQWKD-UHFFFAOYSA-N 294.289 2.504 30 40 CFEB CCOC(=O)/C(C)=N/Nc1cccc(Cl)c1C 96306046 HQPVNSYBGVQRHO-NTEUORMPSA-N 254.717 2.999 30 40 CFEB CN(C)/C=N/N(C)c1cc(C(F)(F)F)cc(Cl)n1 96307089 ONFVZRQQJOLJBF-GIDUJCDVSA-N 280.681 2.695 30 40 CFEB CC1(C)CC(=O)C2=C(C1)N1CCn3cccc3[C@@H]1C/C2=N\O 4027659 COZDFPUSXSCNHJ-FHXOWUIVSA-N 299.374 2.722 30 40 CFEB biogenic O=C1CCCC2=C1[C@@H](c1ccccc1F)c1c(O)n[nH]c1N2 18195854 GIKVMMVBJURRTP-GFCCVEGCSA-N 299.305 2.819 30 40 CFEB C#Cc1cccc(NC(=O)c2c(CC)noc2C)c1 83817436 VXZSEHLOUMMDKJ-UHFFFAOYSA-N 254.289 2.779 30 40 CFEB Cc1ccc(NC(=S)N/N=C/c2ccc[nH]2)cc1 357872 HVGZRNRPFMKSIE-OQLLNIDSSA-N 258.350 2.644 30 40 CFEB Cc1cc(C)n(/N=C/C=C/c2ccccc2)c(=O)c1C#N 21920213 YTRNPYCLWYTULP-AVSIYSEJSA-N 277.327 2.884 30 40 CFEB CC1=C(C)[C@]2(C)[C@H]3C(=O)C=CC(=O)[C@@H]3[C@]1(C)C(=O)C2(C)C 100818395 RQFQLKCULHEKLG-LBTBCDHLSA-N 286.371 2.898 30 40 CFEB O/N=C1/CCC=CCC[C@H]1n1nnc2ccccc21 100964727 VPLSABBKTUPYAQ-MWYXELJMSA-N 256.309 2.933 30 40 CFEB Cc1noc(C)c1/C=C/C(=O)c1csc(C(=O)O)c1 106586801 OVVKDFKZXYYIFL-ONEGZZNKSA-N 277.301 2.947 30 40 CFEB N#Cc1ccc(N2CCC[C@@H]2CO)cc1C(F)(F)F 48865507 JAJQKMYNNNUHOL-LLVKDONJSA-N 270.254 2.538 30 40 CFEB N#Cc1c(OCC(=O)O)nc(-c2ccccc2)c2c1CCC2 13733175 GTIJVMBTODIVSJ-UHFFFAOYSA-N 294.310 2.572 30 40 CFEB C#CCOc1ccc(N(C)Cc2ccccn2)cc1 83865625 VGIXZANWCWBKGU-UHFFFAOYSA-N 252.317 2.730 30 40 CFEB CC1(C)CCCC/C1=C\C(=O)NC1(C#N)CCOCC1 95433739 WFPDOEQTHUKOQC-ACCUITESSA-N 276.380 2.702 30 40 CFEB C=CCOc1ccc(NC(=S)NCCCOC)cc1 225284193 IDARLLLFKYOUNC-UHFFFAOYSA-N 280.393 2.574 30 40 CFEB CN(C(=O)C1(C#N)CCCC1)c1nc2ccccc2n1C 97377818 VJCYLDNOSGHOAC-UHFFFAOYSA-N 282.347 2.620 30 40 CFEB N#CCC1(COC(=O)c2cccc(N3CCCC3=O)c2)CC1 96442789 ZJHZCJLLARHZPA-UHFFFAOYSA-N 298.342 2.664 30 40 CFEB Cc1nc2ncnn2c(Sc2ccc(C#N)cc2)c1C 96456170 TUZICLHDKOWSTR-UHFFFAOYSA-N 281.344 2.764 30 40 CFEB CCCNc1nn(-c2cc(C)ccc2C)nc1C#N 256048138 QYQKPEQLWFCBSS-UHFFFAOYSA-N 255.325 2.578 30 40 CFEB CCO[C@H]1C[C@H](Nc2ccc(C#N)nc2)C12CCC2 195535350 YQUPAZSJXYTCKN-KBPBESRZSA-N 257.337 2.713 30 40 CFEB COc1cccc([C@H](O)COc2ccc(C#N)cc2F)c1 154267925 VTPMCNBMIMDFFM-OAHLLOKOSA-N 287.290 2.818 30 40 CFEB O/C(CN1CCCC1)=N\c1nc2ccccc2s1 50097567 UXTYDPXDJGCGCJ-UHFFFAOYSA-N 261.350 2.980 30 40 CFEB Cc1c(I)cccc1C(=O)CC#N 1857794161 AKHXDTMIDGPQHB-UHFFFAOYSA-N 285.084 2.696 30 40 CFEB COc1cccc(OC)c1C(=O)Nc1ccccc1C#N 559986 KAUTYYWOVLJICF-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB COc1ccc2nc(C(F)(F)F)c(C#N)c(O)c2c1 342356 AMAAVVZEBQTLOI-UHFFFAOYSA-N 268.194 2.839 30 40 CFEB N#CCOC(=O)c1csc(-c2ccc(F)cc2)n1 7709901 DSOXTDYRCZMQPW-UHFFFAOYSA-N 262.265 2.630 30 40 CFEB O=C(COc1cccc(/C=N\O)c1)Nc1ccc(F)cc1 108046869 GGLKISNTJTUBPG-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107335495 DBONCZZEYZBHRG-DDHJSBNISA-N 288.391 2.580 30 40 CFEB COc1c(Cl)cc(C#N)cc1I 26508589 XLQZCBJTQJMORW-UHFFFAOYSA-N 293.491 2.825 30 40 CFEB Cc1ccccc1OCC(=O)NC1(C#N)CCCCC1 3343039 AIQHIQZXEKWCNJ-UHFFFAOYSA-N 272.348 2.717 30 40 CFEB Cc1nc(C)c(C#N)c(SCc2c(C)noc2C)n1 12748441 PLCHFUAGDNNWAJ-UHFFFAOYSA-N 274.349 2.862 30 40 CFEB CC1(C)CC(=O)C=C(NC[C@H](O)c2ccccc2)C1 13151581 WHYFMUABLMEEJO-HNNXBMFYSA-N 259.349 2.583 30 40 CFEB Cn1ccnc1C(=O)/C=C/c1cccc(OCCCC#N)c1 70040651 MOSCLLSZJXSYKY-BQYQJAHWSA-N 295.342 2.999 30 40 CFEB CCN1C(=O)/C(=C\c2cccc(C#N)c2)SC1=S 14175518 LRRJIKFWIGLVGG-YRNVUSSQSA-N 274.370 2.779 30 40 CFEB C=CCN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 66560532 ZVUVQGIOOMMZFV-CYBMUJFWSA-N 299.823 2.515 30 40 CFEB CCOc1cc(C)c(/C=N/NC(N)=S)cc1C(C)C 408853304 NFEDNLFMDKOBEG-LZYBPNLTSA-N 279.409 2.684 30 40 CFEB CC(C)n1cnnc1[C@H]1CCCN(c2cccc(C#N)n2)C1 95975040 LANSGUZSRRBKKA-ZDUSSCGKSA-N 296.378 2.510 30 40 CFEB CC(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@@]1(C)[C@]21CO1 33897408 HNEGCRMUYSKRRR-XDKXFUCDSA-N 292.375 2.611 30 40 CFEB CC(C)(C)OC(=O)NCCCOc1ccccc1C#N 78036550 NLSCJICFEBTPOT-UHFFFAOYSA-N 276.336 2.852 30 40 CFEB C=CCN1Cc2nccn2C[C@H]1c1ccc(OC)cc1 257328359 XFHAMMWSIKPNKJ-HNNXBMFYSA-N 269.348 2.635 30 40 CFEB C=CCn1c(Sc2nc(CC)ns2)nnc1C1CC1 92584175 WEQTXFSMIORTJV-UHFFFAOYSA-N 293.421 2.907 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 5027506 BBOGVVJGROGHRN-CYVDBUDESA-N 278.327 2.699 30 40 CFEB Cc1nc(SCC(=O)NC(C)(C)C)c(C#N)c(C)c1C 58940 NKTKZYZKOFCJSU-UHFFFAOYSA-N 291.420 2.885 30 40 CFEB O=C1/C(=C(/c2ccccc2)[N+](=O)[O-])Nc2ccccc21 1509651 OBYVLZBKFJDIEP-BUHFOSPRSA-N 266.256 2.940 30 40 CFEB CC(=O)c1sc(N/N=C\c2ccccc2O)nc1C 31854455 BQWRFFPRJSNFCX-AUWJEWJLSA-N 275.333 2.806 30 40 CFEB C[C@H](C1CC1)N(C(=O)c1ccc(C#N)cc1)C1CC1 46059038 ACCWGVGXOGKVNQ-LLVKDONJSA-N 254.333 2.961 30 40 CFEB CC(=O)N1CCc2cc(NC(=O)C3(C#N)CCCC3)ccc21 32410773 IZWMICZWPOYNBK-UHFFFAOYSA-N 297.358 2.618 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C/c1cccnc1 1287996 FGNNKLDGGAAOMW-MHWRWJLKSA-N 287.392 2.892 30 40 CFEB N/C(=N\O)c1cc(-c2ccccc2C(F)(F)F)ccn1 117575573 WVSGNKNTVIFYHP-UHFFFAOYSA-N 281.237 2.862 30 40 CFEB C=CCNC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 47810992 NQYHTWDGGMXBFJ-UHFFFAOYSA-N 289.379 2.913 30 40 CFEB CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 58105459 ILLTWJKTFLFTQP-UHFFFAOYSA-N 293.351 2.979 30 40 CFEB Cc1ccc(C[C@H](C#N)Sc2nnnn2C2CC2)cc1 12866493 QTHLODFXOBLIIR-CYBMUJFWSA-N 285.376 2.543 30 40 CFEB COc1ccccc1N1CCN(/N=C(\C)c2ccco2)CC1 4567634 BXIKZHAYDIYTMR-NBVRZTHBSA-N 299.374 2.834 30 40 CFEB COc1ccccc1Cn1c(C)c(C)c(C#N)c1N 6668594 MVAKLESADFKRJG-UHFFFAOYSA-N 255.321 2.616 30 40 CFEB C#CCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O 5799038 GIWKQLIRNVULJU-UHFFFAOYSA-N 291.709 2.570 30 40 CFEB CCCOc1ncccc1CNc1nnc(C)c(C)c1C#N 71830252 ZQFGUJBDQFEJBV-UHFFFAOYSA-N 297.362 2.761 30 40 CFEB C=CCOc1ccccc1CNC(=O)NCc1ccncc1 72277879 IDIONBXOTRMEJG-UHFFFAOYSA-N 297.358 2.646 30 40 CFEB N#Cc1cccnc1N1CC=C(c2ccc(O)cc2)CC1 84357651 OKSGRJOAFRMVCT-UHFFFAOYSA-N 277.327 2.953 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccccc1Cn1cccn1 78869722 YHMUUGQMLZDDSR-UHFFFAOYSA-N 283.375 2.970 30 40 CFEB C[C@H]1CCC[C@@H](NC(=O)CNc2ccc(C#N)cc2)C1 49137518 ZIXUFIJSDRTGQA-SWLSCSKDSA-N 271.364 2.665 30 40 CFEB Cc1ccc(S(=O)(=O)OC[C@@]2(C)CCCCC2=O)cc1 1721046 RIJHMWFBDNMAFI-OAHLLOKOSA-N 296.388 2.850 30 40 CFEB COc1ccccc1COC(=O)c1ccc(C#N)cc1 6638328 ISIIYLDXWXPXOG-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB N#Cc1ccc(C(=O)c2ccc(Cl)cc2)c(CO)c1 22060810 COCJUZNVDCSTPQ-UHFFFAOYSA-N 271.703 2.935 30 40 CFEB in-vitro C=CCNC(=O)CSc1ccc2ccccc2n1 9378829 UWNSUPAUDQYINQ-UHFFFAOYSA-N 258.346 2.629 30 40 CFEB C[C@H]1CN(C)/C(=N\C(=S)Nc2ccccc2)S1 13809862 KCFKNXFAMDRFON-DMPSHJKHSA-N 265.407 2.807 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc2nccnc2c1 5455010 ZLWXSULENSEXDR-VXLYETTFSA-N 288.314 2.952 30 40 CFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2ccccc21 6578422 JYKSQNFDRWFWRA-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB O=C1CS/C(=N/c2ccccc2)N1Cc1ccncc1 4674858 VGVDHVBMCRIYKG-BMRADRMJSA-N 283.356 2.845 30 40 CFEB Cc1ccc(O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 5938646 UHJBBZYTEVEKTM-XJKSGUPXSA-N 274.364 2.817 30 40 CFEB COC(=O)c1cccc(COc2cccnc2C)c1C#N 97082619 ZOKOMTILFBTUSD-UHFFFAOYSA-N 282.299 2.627 30 40 CFEB C=CCN1C(=O)N=C(O)/C(=C/c2c[nH]c3ccccc23)C1=O 9046208 WEBZBTROZLJPQN-WQLSENKSSA-N 295.298 2.656 30 40 CFEB CCN(C[C@@H](C)C#N)c1ncnc2cc(F)c(F)cc12 95411577 IAKDSOSSYKPJOD-VIFPVBQESA-N 276.290 2.894 30 40 CFEB O=C(NO)c1cccc2c(Br)cccc12 226289607 YXOSQUZIGGYBKS-UHFFFAOYSA-N 266.094 2.721 30 40 CFEB CCc1nc(N)nc(Cc2ccc(Cl)cc2)c1C#N 223698307 BAQHUSKZNDFEDD-UHFFFAOYSA-N 272.739 2.737 30 40 CFEB N#CCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 96500928 MBXPNOWBSMHJOD-LBPRGKRZSA-N 270.254 2.602 30 40 CFEB CCCCCCCNC(=O)CCC(=O)NCCCC 98045208 OIMWKZFZIAAORM-UHFFFAOYSA-N 270.417 2.770 30 40 CFEB COc1ccc(C#C[C@@H](O)c2ccccc2[N+](=O)[O-])cc1 606507119 VXYTUQMBRPXJBX-MRXNPFEDSA-N 283.283 2.689 30 40 CFEB N#Cc1cnc(N2CC[C@H](c3ccccn3)C2)c(Cl)c1 798418029 YQXVDFWTYWUIBJ-LBPRGKRZSA-N 284.750 2.996 30 40 CFEB CC(C)(C#N)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 40122751 FPHKWQQASLQAFZ-CQSZACIVSA-N 288.347 2.733 30 40 CFEB C/C(Nc1ccc(C)c(C)c1)=C1/C(=O)O[C@@H](C)C1=O 102756149 MZIMDAAYARVPID-KBICQTFXSA-N 259.305 2.504 30 40 CFEB N#Cc1cccc(NC(=O)[C@H]2CC2(Cl)Cl)c1 7265489 NLKKPDYKHMRGRE-SECBINFHSA-N 255.104 2.691 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1 45244229 UOOJCBKHFDHBJE-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB N#Cc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1 12552213 ALEMRUZNFCLLOE-UHFFFAOYSA-N 290.282 2.861 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C/c2c(F)cccc2Cl)C1=O 3528078 YPBYPTLVEWICPE-DFWYYUMKSA-N 297.717 2.534 30 40 CFEB CO/N=C/NC(=O)c1sc(C#N)c(-c2ccccc2)c1C 4040984 GSTFCRNVGKOVJY-UHFFFAOYSA-N 299.355 2.915 30 40 CFEB C[C@@H](NC1CCCCC1)C(=O)Nc1cccc(C#N)c1 6284965 PDFRCKDBGODEKF-GFCCVEGCSA-N 271.364 2.808 30 40 CFEB CC(C)(C)C(=O)[C@H]([C@@H](C#N)C(=S)S)[n+]1ccccc1 5379543 DKSCCGWTUOCZEU-MNOVXSKESA-O 293.437 2.527 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/C[C@@H]2COc3ccccc3O2)cc1 4762884 KLUPSISAXJSDBO-IREQLNLFSA-N 298.298 2.854 30 40 CFEB CCN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 7016412 OCNLUTQIOVQTCR-KRWDZBQOSA-N 287.407 2.563 30 40 CFEB CN(/C(N)=N/Cc1csc2ccccc12)C1CC1 195559313 UBIIMPLPOZWGHS-UHFFFAOYSA-N 259.378 2.810 30 40 CFEB Cc1nc(-c2cccc(C#N)c2)nn1CC1(O)CCCCC1 96484766 NQAZGEXWDYNQHG-UHFFFAOYSA-N 296.374 2.820 30 40 CFEB N#C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 259871625 NCHVAHMCEGHKKP-OLZOCXBDSA-N 262.284 2.507 30 40 CFEB O=C(/C=C/Nc1ccc(Cl)cn1)C(F)(F)F 6221963 NAPPSDDYMVSIIR-ONEGZZNKSA-N 250.607 2.792 30 40 CFEB CSc1nc(SC)n(-c2ccccc2)c(=N)c1C#N 5611935 JTZSFMCHOCILNF-UHFFFAOYSA-N 288.401 2.667 30 40 CFEB N#C/C(=N\Nc1ccccc1)c1nc2ccccc2[nH]1 16488120 CXFKRVYABMMTAR-XSFVSMFZSA-N 261.288 2.903 30 40 CFEB CC[C@](C#N)(C(=O)O)C1CC(C)(C)NC(C)(C)C1 72434056 AUMQGXZPLBGZKO-CQSZACIVSA-N 252.358 2.548 30 40 CFEB COC(=O)c1ccoc1COc1cccc(C#N)c1 32895715 XGLVPAWMIZFJHQ-UHFFFAOYSA-N 257.245 2.517 30 40 CFEB Cn1cccc1C1=NN/C(=N\C2CCCCC2)SC1 23622546 CABYPGAKEOUTSB-UHFFFAOYSA-N 276.409 2.754 30 40 CFEB N#Cc1ccc(O[C@H](C(N)=O)c2ccccc2)c(Cl)c1 11119807 ATCPJTNHCBBNLF-AWEZNQCLSA-N 286.718 2.817 30 40 CFEB Nc1ccccc1N/C(=C/C(=O)c1ccccc1)C(=O)O 1825811 VZORQHWLQWBSHQ-GXDHUFHOSA-N 282.299 2.532 30 40 CFEB Cc1ccc2[nH]c(C)c(CC(=O)N(C)CCC#N)c2c1 58216645 LVJNVGCXWKYCEE-UHFFFAOYSA-N 269.348 2.699 30 40 CFEB COc1ccc(COC[C@H](O)C/N=C(\O)CC(C)C)cc1 58393078 FJDFTNZZZNZZGQ-CQSZACIVSA-N 295.379 2.575 30 40 CFEB COCc1cccc(C(=O)N(CCC#N)C(C)C)c1 69452526 OTKGZWMEAJLCFV-UHFFFAOYSA-N 260.337 2.597 30 40 CFEB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC)cc1C#N 225817297 JSRPHJXONGQUOG-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB CC[C@@H](/C(=N/O)c1ccc(Cl)cc1)S(=O)(=O)CC 96524601 SOXCILCTBCEHMP-DLGQCPFBSA-N 289.784 2.732 30 40 CFEB CN(C)c1ccc2cc(C(=O)/C=C/C(=O)O)ccc2c1 675038117 RFALQXBPLYIZBV-BQYQJAHWSA-N 269.300 2.729 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@@H](C)CC#N 95947866 CRVYKTAWAFMOJT-LBPRGKRZSA-N 297.358 2.953 30 40 CFEB N#CCCN1CCC(c2c[nH]c3ncccc23)CC1 98013271 XNURDWMTECGCEH-UHFFFAOYSA-N 254.337 2.656 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C=C(Cl)C1=O 5080593 UXASVZPBDIQODI-CWBSHCDESA-N 280.751 2.986 30 40 CFEB C=CCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OC 12475371 IQAKNOLFLGGZKH-WQLSENKSSA-N 273.288 2.576 30 40 CFEB CN(C)CCC/C=N/Nc1ccc(Cl)cc1[N+](=O)[O-] 6426229 XVWLEKVJMMJVCX-VGOFMYFVSA-N 284.747 2.988 30 40 CFEB C=CCO/N=C1\C[C@@H]2[C@H](C[C@@]1(C)N(C)C)C2(C)C 4424647 KDOWIRPIALEFSJ-VBVGEUPSSA-N 250.386 2.931 30 40 CFEB C=CCN(CC=C)Cc1nc(-c2ccccc2OC)no1 40473182 LDBAAUDXUOSWKW-UHFFFAOYSA-N 285.347 2.919 30 40 CFEB C[C@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O 8534326 IFIXEPTXFZUXBR-RXMQYKEDSA-N 258.705 2.718 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 15580056 NPUOVZOFWZMUKG-HNNXBMFYSA-N 264.284 2.500 30 40 CFEB Cn1c(Cl)cnc1/C=C/C(=O)c1ccc(O)cc1 4137212 HEHOHKSRKWTFFB-VOTSOKGWSA-N 262.696 2.675 30 40 CFEB C/N=C1/S/C(=C/c2ccc(Cl)cc2)C(=O)N1C 6279509 INLASHBNDZDXGL-ZZZNDOSKSA-N 266.753 2.872 30 40 CFEB N#Cc1cccc(NCC(=O)N2CCc3ccccc32)c1 4904656 PYCQYSIVEBZWRA-UHFFFAOYSA-N 277.327 2.559 30 40 CFEB CC1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 9316911 IQRLIYYMOIOKLY-UHFFFAOYSA-N 292.404 2.556 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 9482242 OOIYKSXXEVEFSP-CHWSQXEVSA-N 272.348 2.727 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)COC 89960215 BVDAPEDDGOECMY-NSHDSACASA-N 275.352 2.601 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N\c2nc3ccccc3[nH]2)c1 36166807 ZCLFUISNDXTDOR-NVNXTCNLSA-N 282.259 2.927 30 40 CFEB C[C@]12C=CC=C[C@@H]1NC(=C1C(=O)c3ccccc3C1=O)C=C2 4262802 CGYGWHFQDJJFRU-HNAYVOBHSA-N 289.334 2.980 30 40 CFEB biogenic N#CCCN(CCC#N)C(=O)CCn1ccc2ccccc21 58282021 OGNZWBSDVIYECC-UHFFFAOYSA-N 294.358 2.687 30 40 CFEB Nc1ccc(Cl)c[n+]1/C=C/C(=O)c1ccccc1 5772478 DOARYAPOEULSJU-CMDGGOBGSA-O 259.716 2.563 30 40 CFEB N#Cc1ccccc1NC(=O)Cn1cnc2ccccc21 14737550 RBEMOOVMPYRTEQ-UHFFFAOYSA-N 276.299 2.547 30 40 CFEB N#Cc1cccc(NCC(=O)NC2CCCCCC2)c1 21889478 JXORSQOWYVZWGK-UHFFFAOYSA-N 271.364 2.809 30 40 CFEB Cc1ccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)cc1 50828 GEMIRGRBXBRFGK-SDXDJHTJSA-N 294.310 2.533 30 40 CFEB COc1ccccc1[C@H]1CCCC[C@H]1OS(C)(=O)=O 1706500 CDHJSKARSRJTES-TZMCWYRMSA-N 284.377 2.698 30 40 CFEB COC(=O)CN(Cc1ccccc1CC#N)c1ccccc1 1751990 UMESYDNBSUVZFT-UHFFFAOYSA-N 294.354 2.932 30 40 CFEB CS/C(=N\C#N)Sc1cccc([N+](=O)[O-])c1 4716411 HVAFWEPTAQSSSG-PKNBQFBNSA-N 253.308 2.887 30 40 CFEB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)on1 32932466 QTIMKJVNUGXDPN-AWEZNQCLSA-N 281.315 2.832 30 40 CFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCCCC1 3582645 CFAQWXCZWPRMOC-UHFFFAOYSA-N 277.755 2.636 30 40 CFEB O=C(O)c1ccccc1/C=N/Nc1ncnc2ccccc12 4536862 RQKISKWDLYBFGZ-DJKKODMXSA-N 292.298 2.774 30 40 CFEB CC(C)(CNc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O 67368353 NJKQKNOBCOZFIQ-UHFFFAOYSA-N 285.269 2.500 30 40 CFEB CC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 15544713 RTMRLIGIGBKPKK-QPJJXVBHSA-N 284.359 2.861 30 40 CFEB CCCCN(C)C(=O)CSc1cc(C)nc(C)c1C#N 97142324 ZGUNUMRZFBHFHG-UHFFFAOYSA-N 291.420 2.921 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)c1coc2ccccc12 97107176 SFDHEVSYVXCBJY-VIFPVBQESA-N 281.333 2.866 30 40 CFEB CS/C=C/C(=O)[C@@H](C#N)c1nc2ccccc2n1C 79111830 TWLGAUMJXXQUQK-QROSGCPLSA-N 271.345 2.626 30 40 CFEB C=CCN(CC=C)C(=O)N[C@H]1CCC[C@H]1SC 74762717 YXNPTYXWCDQSSW-NWDGAFQWSA-N 254.399 2.654 30 40 CFEB CCOC(C)(C)COS(=O)(=O)c1ccc(C)cc1 255187534 FEUSCARXBIXNFN-UHFFFAOYSA-N 272.366 2.515 30 40 CFEB N/C(=N\c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 225236096 LYUSSYSGRPBTBH-UHFFFAOYSA-N 291.698 2.702 30 40 CFEB CCc1ccc([C@@H]2COCCN2CCCCC#N)o1 96413000 PPFWYDWWODHJIO-AWEZNQCLSA-N 262.353 2.909 30 40 CFEB N#Cc1ccsc1NC(=O)[C@@H]1COc2ccccc2C1 12938261 VDHNYUZVYYNYRG-LBPRGKRZSA-N 284.340 2.810 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)C1(F)CCC1)C2 1565545825 PVEFGXONYRLBCG-OAHLLOKOSA-N 280.387 2.522 30 40 CFEB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C#N 3385097 UUVDVLFTWOGQOD-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB O=C(Cc1ccccc1F)NCC#Cc1ccccc1 24976043 XDLAYQBHKVKZIK-UHFFFAOYSA-N 267.303 2.536 30 40 CFEB Cc1cc(C)c(CNc2ccc(C#N)cc2F)c(=O)[nH]1 79016510 OLBCNFCPHVOLAF-UHFFFAOYSA-N 271.295 2.615 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)CCc1cccnc1 25102739 LAPMXAWKLPYXQZ-UHFFFAOYSA-N 279.343 2.544 30 40 CFEB N#CCSc1nnc(COc2ccccc2Cl)o1 12616914 ZRMRTOOAVYICAP-UHFFFAOYSA-N 281.724 2.918 30 40 CFEB COc1ccc(OC)c([C@H](C)NC[C@H](C#N)CCC#N)c1 26715397 SKGHCSPIYMAQDG-STQMWFEESA-N 287.363 2.798 30 40 CFEB N#CCCCOc1ccc(C(=O)NCC(F)(F)F)cc1 95427881 GNGLWLNWGPCAEA-UHFFFAOYSA-N 286.253 2.661 30 40 CFEB Cc1ccc(NCC(=O)NC2(C#N)CCCC2)c(C)c1 29935338 SEVLOEXQUUDVMK-UHFFFAOYSA-N 271.364 2.668 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccc(OC)cc1 100992700 GVDDWPBSJQQAGJ-UHFFFAOYSA-N 292.379 2.720 30 40 CFEB N#Cc1cccc(SCCOC[C@H]2CCCO2)c1 95412688 ZWQYZKZVENTJKY-CYBMUJFWSA-N 263.362 2.846 30 40 CFEB O=S(=O)(Cc1ccccc1)/N=C(\O)c1cccc(F)c1 48519359 RVRKTCQGFGKIMT-UHFFFAOYSA-N 293.319 2.660 30 40 CFEB CN(C)[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccsc1 13011227 LLACZLOLYZWFDW-OAHLLOKOSA-N 299.399 2.652 30 40 CFEB CN(C(=O)Cn1ccc2ccccc21)C1(C#N)CCC1 49313815 UOTDEOHSLBNVGD-UHFFFAOYSA-N 267.332 2.546 30 40 CFEB N#Cc1ccc(COC(=O)Cc2ccccc2[N+](=O)[O-])cc1 5958649 DAQJHBPSODSAEH-UHFFFAOYSA-N 296.282 2.752 30 40 CFEB CC(=O)c1cccc(/N=C2\N=C(N)c3ccccc32)c1 18058781 XLMCLYWFSMPDMH-UHFFFAOYSA-N 263.300 2.686 30 40 CFEB Cc1cc(C)cc(OCC(=O)N[C@](C)(C#N)C(C)C)c1 32838779 SIDPATFAVVWTJS-MRXNPFEDSA-N 274.364 2.737 30 40 CFEB C[Si](C)(C)c1nn[nH]c1/C=N\c1ccc(Cl)cc1 221833380 XRKMPMOUMAOLFH-ZSOIEALJSA-N 278.819 2.754 30 40 CFEB CCC[C@H](C#N)NC(=O)CCc1ccc(OCC)cc1 69439143 LAXGERRXPDBCAY-CQSZACIVSA-N 274.364 2.826 30 40 CFEB Cc1ccc(C)c(-n2nc(C#N)c(N3CCC(C)CC3)n2)c1 256047510 MWJYVUCBOUPNHQ-UHFFFAOYSA-N 295.390 2.992 30 40 CFEB C[C@@H](NCCO[C@H]1CCCCO1)c1ccc(C#N)cc1F 390835853 ZYUYXEAVUDLAOC-WBMJQRKESA-N 292.354 2.891 30 40 CFEB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C#N)cc2)cc1 31098404 JBGVUDGJIFTNNL-MRXNPFEDSA-N 295.342 2.722 30 40 CFEB CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2 42805024 HBSGRLJNVVNDGJ-UHFFFAOYSA-N 270.361 2.535 30 40 CFEB O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccnc1 16406352 MSHJVLRRXIAISK-HWKANZROSA-N 270.244 2.592 30 40 CFEB CC1(C)OB(c2c(F)cc(Cl)cc2F)OC1(C)C 206184268 KZLFDORGMUSYHY-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB Cc1ccc(C(=O)/C=C/[n+]2ccc(N(C)C)cc2)cc1 4276988 KOTPCARFGHUBKO-JLHYYAGUSA-N 267.352 2.702 30 40 CFEB N#Cc1c(-c2ccccc2)nc2n(c1=O)CCCCS2 5607358 KDCWGMQEMHHDGW-UHFFFAOYSA-N 283.356 2.668 30 40 CFEB C=CCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148676 UBSUFNHLGVXWKK-UHFFFAOYSA-N 292.360 2.518 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 32895267 VXNAPNLWVUAMCW-UHFFFAOYSA-N 288.310 2.501 30 40 CFEB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)CC#N)s1 78420316 RMPINLZWQRILEZ-WCQGTBRESA-N 262.378 2.921 30 40 CFEB C#CCOc1ccc(CNC2CCCC2)cc1OC 2181841 HQVWSTSZBUXQEZ-UHFFFAOYSA-N 259.349 2.739 30 40 CFEB N#CCCNC(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21 58217641 SXWJSDNJNVJHSC-QGZVFWFLSA-N 297.402 2.558 30 40 CFEB C[C@H](C#N)CN(C)C(=O)CCSc1ccccc1F 58378477 SUYMCZLQEJLFAU-LLVKDONJSA-N 280.368 2.926 30 40 CFEB N#Cc1ccc(/C=N/N=C/c2ccc(C#N)cc2)cc1 2895154 BBRZAJNFXHDEIS-AYKLPDECSA-N 258.284 2.883 30 40 CFEB COc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1O 4154812 LTXNMCVQPOTGBG-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB C/C(=N\NC(=N)N)c1ccc(C2CCCCC2)cc1 5445933 KPSQRQUNBFLDLV-WOJGMQOQSA-N 258.369 2.941 30 40 CFEB Cc1ccc(C[C@H](C#N)Sc2nccn2C)cc1 6590381 HWQRECVAOBXDSL-CYBMUJFWSA-N 257.362 2.956 30 40 CFEB N#Cc1ccc(COC(=O)Cc2ccc(F)cc2)cc1 5633974 UZIOVKCXJYYOHV-UHFFFAOYSA-N 269.275 2.983 30 40 CFEB O=C(/C=C/c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 15583595 AWDCNAJEWXPBBV-RMKNXTFCSA-N 264.284 2.752 30 40 CFEB Cn1c(SCc2cccc(C#N)c2)nnc1C1CC1 7235275 QVUKJWJVOYFIAC-UHFFFAOYSA-N 270.361 2.856 30 40 CFEB N#CCOc1ccc(C(=O)/C=C/c2cccnc2)cc1 7621192 QBISRAAUKPQNIA-FPYGCLRLSA-N 264.284 2.880 30 40 CFEB Cc1ccc([C@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc1 18119214 OEWRVAGSQPCKPC-AWEZNQCLSA-N 266.304 2.527 30 40 CFEB C[C@@H](c1ccccc1)[C@@H](C)NCC(=O)NC1(C#N)CCCC1 97110040 CENMEDFABCGRCH-HUUCEWRRSA-N 299.418 2.721 30 40 CFEB Cc1noc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)n1 41123856 AUBRRCAJWYZFKJ-CQSZACIVSA-N 296.330 2.617 30 40 CFEB Cc1ccnc(NC[C@H]2CCN(C[C@H](C#N)CCC#N)C2)c1 97203801 YTGQHSYKEPFQBF-JKSUJKDBSA-N 297.406 2.567 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21 254745025 HZCOEAIFIFURAN-ARILJUKYSA-N 262.349 2.723 30 40 CFEB O/N=C1/CCCOc2ccc(Br)cc21 104685747 VBZGBCSHRUMCAQ-XFXZXTDPSA-N 256.099 2.800 30 40 CFEB COc1cc2oc(=O)ccc2cc1C[C@H]1OC1(C)C 12153729 JZRVCRZHZQXYDH-CYBMUJFWSA-N 260.289 2.522 30 40 CFEB biogenic,in-vitro Cc1ccc[n+](CC(=O)Nc2cccc(Cl)c2)c1 4129532 QHNANMUTAKMICX-UHFFFAOYSA-O 261.732 2.575 30 40 CFEB N#Cc1nc(COc2ccc(F)cc2)oc1N1CCCC1 553155 MDUGYJZGHCQQRQ-UHFFFAOYSA-N 287.294 2.865 30 40 CFEB CCSc1nc(N)nc(-c2cccs2)c1C#N 1398218 WWCFHNBOXRXFER-UHFFFAOYSA-N 262.363 2.771 30 40 CFEB COc1ccnc(NCc2ccc(C)cc2)c1C#N 1401886 UDSQORUWKOBNBI-UHFFFAOYSA-N 253.305 2.882 30 40 CFEB CCn1nnc2cc(C(=O)Nc3cccc(C#N)c3)ccc21 10218685 WNWARQDUTIDTPV-UHFFFAOYSA-N 291.314 2.575 30 40 CFEB CN(CCN(C)C1CCCCC1)C(=O)c1cccc(C#N)c1 58411556 NEIYSXQTEFOGNM-UHFFFAOYSA-N 299.418 2.895 30 40 CFEB Clc1ncc(CO/N=C/c2ccccn2)s1 4042535 ZTJWNBMUILTLHA-LHHJGKSTSA-N 253.714 2.742 30 40 CFEB O/C(=N\c1nn[nH]n1)c1cccc(Oc2ccccc2)c1 6453735 WJQACQBXPHNBMV-UHFFFAOYSA-N 281.275 2.628 30 40 CFEB C/N=C(/NCc1ccccn1)N[C@@H](C)CCc1ccccc1 75611843 YVESABPWJXGYRE-HNNXBMFYSA-N 296.418 2.768 30 40 CFEB COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)c(C)c1 76089800 ZPXUIWDVIMHCNH-AWEZNQCLSA-N 266.300 2.889 30 40 CFEB CCOc1ccc(Cl)cc1/C=N/n1cnnc1SC 408817313 NBTJIBAMJBJKKH-VIZOYTHASA-N 296.783 2.934 30 40 CFEB C=CCNC(=O)Nc1cc(OC)cc2cccnc12 38490539 RZMNSIGRGYEYGU-UHFFFAOYSA-N 257.293 2.551 30 40 CFEB N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)cc1 46091879 VANRRLDSCAWRBB-HNNXBMFYSA-N 256.349 2.559 30 40 CFEB C=CCO[C@@H]1CO[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 96048203 SZLCPPFJDJPDNL-DLBZAZTESA-N 291.391 2.914 30 40 CFEB S=C(NCc1ccco1)N/N=C/c1ccc(Cl)cc1 71996 KPERVOSZAUQBFM-LZYBPNLTSA-N 293.779 2.931 30 40 CFEB C/C(Cl)=C\C[N+](C)(C)CC(=O)OCCc1ccccc1 13583497 UQABIAJQXQNKDL-NTEUORMPSA-N 296.818 2.991 30 40 CFEB C/C=C/C=C/C(=O)CC[C@@]1(C)OC(=O)C(C)=C1O 17139936 GQFGVUPBODCMSV-WJCPARLMSA-N 250.294 2.616 30 40 CFEB O=C1O[C@@H](c2ccc(F)cc2)/C(=C(\O)c2ccccc2)C1=O 100440002 FPXCALUNTCBJRE-FIPLFPIMSA-N 298.269 2.962 30 40 CFEB Cn1c2ccccc2c2c(C#N)c(C#N)c([N+](=O)[O-])cc21 1603899 RMVVRGFXZCJXBN-UHFFFAOYSA-N 276.255 2.983 30 40 CFEB N#Cc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20739551 PLNLGFREJLFPHN-GFCCVEGCSA-N 270.317 2.706 30 40 CFEB CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2)cc1 9219368 BLTZJMBMWDQXQE-KPKJPENVSA-N 286.352 2.986 30 40 CFEB CC(C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl 42210779 VPHGITKNOHAODN-SECBINFHSA-N 266.728 2.504 30 40 CFEB CC/N=C1\S/C(=C\c2ccc(C)o2)C(=O)N1CC 2702213 OPYCNPOYKAAHKN-GSDNHOAWSA-N 264.350 2.900 30 40 CFEB Cc1cc(C(=O)COC(=O)c2cccc(C#N)c2)c(C)[nH]1 23453012 DWFQOJUHJKDHFD-UHFFFAOYSA-N 282.299 2.543 30 40 CFEB C=CCNc1nnc(SCc2ccc(C(=O)O)o2)s1 15545316 RTXFULJHYVVNLC-UHFFFAOYSA-N 297.361 2.720 30 40 CFEB CC(C)c1nc(C#N)c(NC[C@H](c2ccco2)N(C)C)o1 27664468 NMFDIZYSAUDQNG-GFCCVEGCSA-N 288.351 2.977 30 40 CFEB N#Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 12819568 XDSSZQMWLBGQFH-UHFFFAOYSA-N 285.234 2.858 30 40 CFEB COc1ccc(/C=C/C(=O)c2cccnc2)c(OC)c1 7739364 ONZCFIORQXOOJP-SOFGYWHQSA-N 269.300 2.995 30 40 CFEB COC(=O)c1cccc(COC(=O)c2ccc(C#N)cc2)c1 6638810 ZCVLXSFMRWUVIP-UHFFFAOYSA-N 295.294 2.702 30 40 CFEB C=CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N 19900851 ABNQGAZYJRCKCS-UHFFFAOYSA-N 282.328 2.945 30 40 CFEB CC(C)c1ccc(C=O)c(B2OC(C)(C)C(C)(C)O2)c1 307213669 YFVJVJSYDLOUDQ-UHFFFAOYSA-N 274.169 2.922 30 40 CFEB Cc1csc(CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)n1 97144897 ZITDTFULULKCHB-UHFFFAOYSA-N 288.332 2.868 30 40 CFEB CC(C)(C)n1cc(C#N)c(NC(=O)Cc2cccs2)n1 72308003 RVMULGZZWOHORX-UHFFFAOYSA-N 288.376 2.752 30 40 CFEB CCOC1=C/C(=C\C=C2C=CN(C)C=C2)C=CC1=O 334139379 HDYYSPVTHDNBQP-RZNTYIFUSA-N 255.317 2.871 30 40 CFEB N#Cc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 96021632 ATFILULDJOSLDH-XYOKQWHBSA-N 280.308 2.964 30 40 CFEB CC(C)(C)OC(=O)N1CCC[C@@H]1/C=C/C(=O)C1CC1 252479460 BFQRWNRFJYVYKH-IDVQTMNDSA-N 265.353 2.921 30 40 CFEB O=C1O[C@H](C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1 885164205 SGSWJXYTCGHECL-SFOWXEAESA-N 292.053 2.948 30 40 CFEB Cn1cccc1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 12977220 WABHVTRSWXUIOX-MRXNPFEDSA-N 279.343 2.874 30 40 CFEB N#Cc1ccccc1COc1ccccc1C(=O)O 13013839 YXOXQEZOMQZNEK-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB CCCCCCOc1ccc(/C=N/NC(N)=S)cc1 5524061 DCMWDGWVNSYRGF-LFIBNONCSA-N 279.409 2.813 30 40 CFEB N#Cc1c(C(F)(F)F)nc(=O)n2c1sc1ccccc12 3277605 XZUHSVPDIBRUPA-UHFFFAOYSA-N 295.245 2.800 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 5555606 HXRAFIDPZBNUEX-UHFFFAOYSA-N 266.256 2.539 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)cc1 25100195 LBOHDKBWFIWEKX-UHFFFAOYSA-N 282.318 2.898 30 40 CFEB COC(=O)C(C)(C)Sc1nc(C)cc(C)c1C#N 12446193 GOFKYKMIFCAGGS-UHFFFAOYSA-N 264.350 2.614 30 40 CFEB CCOC(=O)/C(C#N)=N/Nc1cccc(C(F)(F)F)c1 357123 CQFRCJNDHXSWQK-VCHYOVAHSA-N 285.225 2.560 30 40 CFEB O=C(O)c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 59465130 IYIAYZPXRIVRMP-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1cc(Cl)c(Cl)n1C 57309078 QGOWCAYDKYHOHS-SSDOTTSWSA-N 274.151 2.564 30 40 CFEB N#Cc1c2n(c(=S)n(-c3ccccc3)c1=O)CCCCC2 3252093 SNZHQEXIOLRDAO-UHFFFAOYSA-N 297.383 2.967 30 40 CFEB O=C(NCC#Cc1ccccc1)c1cc(Cl)ccn1 12915268 TVPLPDKJRVGSDR-UHFFFAOYSA-N 270.719 2.517 30 40 CFEB CCCc1ccc(S(=O)(=O)/N=C(\O)CSC)cc1 48518787 VANDRVYNLDCJQF-UHFFFAOYSA-N 287.406 2.647 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)C(C)C)c1C 69451867 AAODCOFRESMKOW-UHFFFAOYSA-N 275.352 2.598 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 6287512 QNAHFMOLIJTURM-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB CC1(C)OB(c2cc(Cl)nc(C(F)F)c2)OC1(C)C 306779240 VAZSDBVMWJRZDB-UHFFFAOYSA-N 289.518 2.972 30 40 CFEB N#Cc1cccc(CN2CCCC[C@@H]2Cn2cccn2)c1 71875207 IJKRJTZFYLPIKP-QGZVFWFLSA-N 280.375 2.809 30 40 CFEB CC(C)[C@@H](C/C(O)=N/S(C)(=O)=O)c1ccccc1 78410928 URWXCCYNCZBGDB-GFCCVEGCSA-N 269.366 2.732 30 40 CFEB CCC1(CC)CC(=O)N(CCCC(C)(C)C#N)C1=O 89948164 SBXZTHSRGKAOBO-UHFFFAOYSA-N 264.369 2.882 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(C#N)cc2)SC1=S 1084280 WMSBBVPBMLVQCU-WQLSENKSSA-N 286.381 2.945 30 40 CFEB CCOC(=O)/C(=C\c1ccccc1Cl)C(C)=O 5046619 QXQWIOZONGXWQO-FLIBITNWSA-N 252.697 2.876 30 40 CFEB C=C1C[C@@H](c2ccccc2OCC(=O)O)O[C@H](C)C1 2097819 AIRCXKPETFMLRX-RISCZKNCSA-N 262.305 2.946 30 40 CFEB biogenic Cc1nc(NC(=O)COc2ccc(C#N)cc2)sc1C 7685875 FHHJUYMNWXSINI-UHFFFAOYSA-N 287.344 2.649 30 40 CFEB CCn1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)n1 94665 OFYOBMMUAYQBPM-UHFFFAOYSA-N 268.320 2.530 30 40 CFEB CCOC(=O)[C@@]12C[C@@](C)(C(C)=C1C)C1=C(O)C=CC(=O)[C@@H]12 1442653 MIUFBHDBMRBDJK-XIRDDKMYSA-N 288.343 2.863 30 40 CFEB N#Cc1c(NC(=O)c2cnccn2)sc2c1CCCCC2 6342894 ICLJMZLNWYJQRO-UHFFFAOYSA-N 298.371 2.931 30 40 CFEB S=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1 568126 QYIDDDFCXHCQEH-MAEUFBSDSA-N 282.372 2.519 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C/c1ccncc1 1247655 OMFCAACFAWWMLF-MHWRWJLKSA-N 287.392 2.892 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)CCOc1ccccc1 25100476 GKZKTHBWUTTWDC-UHFFFAOYSA-N 294.354 2.986 30 40 CFEB N#C[C@H](C(=O)c1cccs1)c1nnc2n1CCCCC2 35426700 FINRFWNSQWKTGG-SNVBAGLBSA-N 286.360 2.556 30 40 CFEB Cc1ccc(Nc2nc(Cn3cnc(C#N)n3)cs2)cc1 12554986 WGZIKPSZTHFKAQ-UHFFFAOYSA-N 296.359 2.707 30 40 CFEB C[C@H](NC(=O)CSCC#N)c1ccc(F)c(Cl)c1 48976028 APNAYEZYCHEEDP-QMMMGPOBSA-N 286.759 2.913 30 40 CFEB COCc1cc(C)nc(N/N=C/c2ccccc2)c1C#N 4016792 ZFRPWPXSYZHGGD-VCHYOVAHSA-N 280.331 2.854 30 40 CFEB CCOc1ccc(NN=C2C(C)=NN=C2C)c([N+](=O)[O-])c1 4304485 JTEPOEHSBSIHMK-UHFFFAOYSA-N 289.295 2.612 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 15624838 NLCPSSQGLZYWQM-UHFFFAOYSA-N 294.310 2.972 30 40 CFEB N#CC1(NC(=O)c2cc(Cl)ccn2)CCCCC1 96995450 XLEZHSNQIBBJDX-UHFFFAOYSA-N 263.728 2.691 30 40 CFEB Cc1cc(C)nc(/N=C(/N)Nc2cc(F)c(F)c(F)c2)n1 40175497 CJHDYVVYOIAIAW-UHFFFAOYSA-N 295.268 2.569 30 40 CFEB N#Cc1nccnc1N1CC[C@@H](CSc2ccccc2)C1 96429802 CKPUSQCJZMTSBK-CYBMUJFWSA-N 296.399 2.967 30 40 CFEB C=CCNc1nn(-c2ccccc2C(F)(F)F)nc1C#N 256048243 RRPLFYQOJVJMAT-UHFFFAOYSA-N 293.252 2.756 30 40 CFEB COC(=O)c1ccc(SN=C(C)C)c([N+](=O)[O-])c1 5377862 GVBLZJTYJOJOJJ-UHFFFAOYSA-N 268.294 2.869 30 40 CFEB C=CCOc1ccccc1CN1C[C@H]2CCCN2C[C@H]1C 19575164 YWQQDDFQJRVCQO-NVXWUHKLSA-N 286.419 2.920 30 40 CFEB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C#N 3385100 UUVDVLFTWOGQOD-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB Cc1cccc(N/N=C/c2ccc(O)c(O)c2O)c1 5445584 AQSOZKVNPGTRAZ-OVCLIPMQSA-N 258.277 2.558 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Br)o1 32735978 CMIANIJIPFTCNX-LLVKDONJSA-N 285.141 2.710 30 40 CFEB N#Cc1nc(COc2ccccc2F)oc1N1CCCC1 200338 YEAVRCSVMBKXJK-UHFFFAOYSA-N 287.294 2.865 30 40 CFEB CSC(/N=C/N(C)C)=N/N=C\c1ccc(Cl)cc1 104244944 DKZXYLJDVYNGHD-SYWQGPDJSA-N 282.800 2.983 30 40 CFEB CCS/C(=N/Nc1ccc(OC)cc1)C(C)=O 102457641 PHRRZWXWFOXMGQ-WYMLVPIESA-N 252.339 2.763 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 10286994 ZCSGWNMSJQOILB-GFCCVEGCSA-N 282.265 2.973 30 40 CFEB COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)CCC#N 58391536 SVLVGYGPVDGUDM-AWEZNQCLSA-N 286.375 2.877 30 40 CFEB C#Cc1cccc(NC(=O)C(=O)c2ccc(C)cc2)c1 48429182 WAXLGTDZNFFSNW-UHFFFAOYSA-N 263.296 2.798 30 40 CFEB O/C(COc1ccccc1)=N\c1nc(-c2ccco2)n[nH]1 12904136 QCLSLGBDUDGKHO-UHFFFAOYSA-N 284.275 2.732 30 40 CFEB COc1ccnc(/N=C\NOCc2ccc(C)cc2)c1C#N 13142599 PHDSKDNWCCAVDY-UHFFFAOYSA-N 296.330 2.652 30 40 CFEB CCc1cc(NCCCO)n2c(nc3ccccc32)c1C#N 8308652 GDWJYDIZFBITFF-UHFFFAOYSA-N 294.358 2.716 30 40 CFEB CCc1ccccc1/N=C/c1c(CO)cnc(C)c1O 5110722 QTHPEFDMAXVXDF-GIJQJNRQSA-N 270.332 2.901 30 40 CFEB Cc1ccccc1-c1nnc(S[C@H](C)C#N)n1C 5209869 QGGHPCRPULWOSU-SNVBAGLBSA-N 258.350 2.795 30 40 CFEB CCC1(C)CC(=O)N(Cc2ccc(C#N)cc2)C(=O)C1 6590127 OUYYSRFYEFASQH-UHFFFAOYSA-N 270.332 2.624 30 40 CFEB N#Cc1cccc(CN2CCc3c(ncn3C3CC3)C2)c1 95373403 LJIPIJIZMPZBRV-UHFFFAOYSA-N 278.359 2.648 30 40 CFEB Cn1cc(B2OC(C)(C)C(C)(C)O2)c2ccnc(Cl)c21 953001990 SMVHMFNDKMMFDC-UHFFFAOYSA-N 292.575 2.526 30 40 CFEB NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCCC2 3155480 IIVMSUYWLUWFRO-GIJQJNRQSA-N 285.372 2.871 30 40 CFEB Cc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 5795498 XWSVBQQOTWRZKT-LZYBPNLTSA-N 296.286 2.823 30 40 CFEB C=C(C)[C@@H]1O[C@H]1c1c(OC)ccc2ccc(=O)oc12 14650527 YTDNHMHONBWCBV-ZFWWWQNUSA-N 258.273 2.818 30 40 CFEB biogenic,in-vitro CN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]cnc2c1 32459426 SACLMZIAFJDPRT-UHFFFAOYSA-N 290.326 2.707 30 40 CFEB COC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 412228 ZKPARJRYOCRTBT-UHFFFAOYSA-N 286.356 2.988 30 40 CFEB CN(C)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 2624599 BMZDVDPKBYSLIP-UHFFFAOYSA-N 265.316 2.877 30 40 CFEB Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 41496485 NNSWVRHXJZPGON-LBPRGKRZSA-N 294.314 2.587 30 40 CFEB Cc1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 522882 VUGKKICOUYPBTJ-UHFFFAOYSA-N 258.321 2.721 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107313622 QAWFJGUUMFCWMJ-XUXIUFHCSA-N 263.385 2.614 30 40 CFEB C/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1 43990447 KHNHPXUQSLRUSU-LICLKQGHSA-N 253.309 2.738 30 40 CFEB Cn1c(N/N=C2/CCn3cccc32)nc2ccccc21 43991072 NCOYINNGDZREDE-ATVHPVEESA-N 265.320 2.595 30 40 CFEB CC(=O)Nc1ccc(CNc2ccc(C#N)cn2)cc1 26144727 BIQVAXOXYRBZLX-UHFFFAOYSA-N 266.304 2.524 30 40 CFEB C=CCOc1ccc(CNCCCC(=O)O)cc1OCC 62717934 NSBYICGOBXXCBX-UHFFFAOYSA-N 293.363 2.605 30 40 CFEB N#Cc1c(N2CCCC2)oc2nc3ccccc3nc12 3267757 AODCXXLNCJHSPT-UHFFFAOYSA-N 264.288 2.848 30 40 CFEB C[C@H]1CN(c2ncccc2C#N)C[C@@H](c2ccsc2)O1 110682012 DGXUGHATHPRBRV-FZMZJTMJSA-N 285.372 2.981 30 40 CFEB CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1 12953173 MVOBCNJGYNYVMI-UHFFFAOYSA-N 250.301 2.830 30 40 CFEB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)cc2)c1 12905912 BNRYWIMUZLUNIP-UHFFFAOYSA-N 297.289 2.908 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@@H](C)Oc1ccc(SC)cc1 76985310 HUINMVCWFQSIPG-VXGBXAGGSA-N 292.404 2.984 30 40 CFEB C/N=C1/S/C(=C/c2cccc(Cl)c2)C(=O)N1C 408930329 VMNDZPBXPGDTTH-ZZZNDOSKSA-N 266.753 2.872 30 40 CFEB C[C@@H](Sc1ncc(CO)n1C)c1cccc(C#N)c1 189853596 HUFCWUHTDLOWKD-SNVBAGLBSA-N 273.361 2.637 30 40 CFEB N#Cc1ccc(Sc2nccnc2C#N)c(F)c1 96429763 WOIWYWFWYHWJNO-UHFFFAOYSA-N 256.265 2.510 30 40 CFEB Cc1nnc(SCc2nnsc2Cl)c(C#N)c1C 96500566 PMZGWIFESYLFKE-UHFFFAOYSA-N 297.796 2.762 30 40 CFEB Cc1c(-c2cc(C(F)(F)F)nn2CCC#N)cnn1C 12395592 GLDXFNOSABYJOQ-UHFFFAOYSA-N 283.257 2.525 30 40 CFEB CCOC(=O)/C(=N\O)C(C)(C)c1ccnc2ccccc12 17001588 OWIBBCXXXSNKAQ-NBVRZTHBSA-N 286.331 2.906 30 40 CFEB C=CCN(C)C(=O)NCc1ccnc2ccccc12 155214239 LGJHZGAZRLTBIY-UHFFFAOYSA-N 255.321 2.562 30 40 CFEB CCn1c2ccccc2n2c3ncccc3c(=O)c(C#N)c12 3192120 IYAWMDXAMVJOMO-UHFFFAOYSA-N 288.310 2.694 30 40 CFEB CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCOC1 104194856 HSEPXWMBNBEYRU-ZDUSSCGKSA-N 262.328 2.556 30 40 CFEB O=C1C=C/C(=N/c2ccc3c(c2)[C@@H](O)c2ccccc2-3)O1 104261242 IAGINSVVPKZABO-LXMVLSBBSA-N 277.279 2.892 30 40 CFEB C[C@H](C#N)OC(=O)CCc1nc2ccccc2s1 10358864 SHXJSQJIVJUKOX-SECBINFHSA-N 260.318 2.684 30 40 CFEB N#CC1(NC(=O)CSc2ccccc2)CCCC1 10646805 SEOLGEHZBPZZQE-UHFFFAOYSA-N 260.362 2.731 30 40 CFEB N#Cc1c(F)cccc1NCCNc1ccccn1 48308826 XWNXDWSKPPPGKE-UHFFFAOYSA-N 256.284 2.616 30 40 CFEB Cc1cnn(C[C@@H]2CCCN2Cc2ccc(C#N)cc2)c1 70040090 HWDWZBIULDZKOB-KRWDZBQOSA-N 280.375 2.728 30 40 CFEB CC#CCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 97599183 OHRPIVBDKDVQOK-SFHVURJKSA-N 292.338 2.630 30 40 CFEB CCn1cccc1/C=N/OCc1cccc([N+](=O)[O-])c1 408595482 XCIUIFMEVITTMI-XNTDXEJSSA-N 273.292 2.967 30 40 CFEB C=CCN(CC=C)C(=O)C1=Cc2ccccc2OC1 71016861 ICEXJQYTWGPQFY-UHFFFAOYSA-N 255.317 2.663 30 40 CFEB COc1c(C(=O)NO)cc2ccccc2c1Br 226289866 YRSYBTIHDSMXNL-UHFFFAOYSA-N 296.120 2.730 30 40 CFEB C=CCn1c(C#N)cc(N)c1Oc1ccccc1OC 225883296 RNMLZZAGJFYVHK-UHFFFAOYSA-N 269.304 2.929 30 40 CFEB CC[C@H](C)Sc1nc(N)c(C#N)c(C(F)(F)F)n1 225894340 XHLXFOZGLPYUDA-YFKPBYRVSA-N 276.287 2.840 30 40 CFEB N#Cc1cc(N)ccc1N1CCN(c2ccccc2F)CC1 225498593 QKNFGGXIEPIWTR-UHFFFAOYSA-N 296.349 2.606 30 40 CFEB CSC[C@](C)(O)CNc1c(Cl)cccc1C#N 96453720 REVXNCWQXYTSJH-GFCCVEGCSA-N 270.785 2.738 30 40 CFEB O=S(=O)(/N=C(O)/C=C/c1ccco1)c1cccc(F)c1 96442700 SRJXJOATJPZYTB-VOTSOKGWSA-N 295.291 2.777 30 40 CFEB CCOc1ccccc1-n1nc(C#N)c(N2CCCCC2)n1 256048619 UVUFWFIMCNIBAT-UHFFFAOYSA-N 297.362 2.528 30 40 CFEB C=C(C)CN1CCC(NC2CCSCC2)CC1 95381590 JXOBHNXFCMRJAG-UHFFFAOYSA-N 254.443 2.512 30 40 CFEB CCCCCCCCCNC(=O)c1nccnc1N 102935122 FTAVILJTTWAMFQ-UHFFFAOYSA-N 264.373 2.539 30 40 CFEB COc1cc(C)c(C)cc1B1OC(C)(C)C(C)(C)O1 307378991 YHNOEINAUOTPME-UHFFFAOYSA-N 262.158 2.611 30 40 CFEB in-vitro Nc1cc[n+](/C=C/C(=O)c2ccc(Cl)cc2)cc1 5750272 BQCMFHGKYYVJHK-JXMROGBWSA-O 259.716 2.563 30 40 CFEB O=C1Nc2ncccc2C(=O)/C1=C/C=C/c1ccccc1 16450882 DZBXHJIJIJXFEB-KXXDCUPXSA-N 276.295 2.856 30 40 CFEB COc1cccc([C@@H](C#N)N2N=C(C)CC2(C)C)c1O 89105 QIOPKDPYEYUMOE-GFCCVEGCSA-N 273.336 2.826 30 40 CFEB O=c1oc2ccccc2c(O)c1/C=N/c1cccnc1 100457778 SZSBFKKJKKYCBQ-RQZCQDPDSA-N 266.256 2.644 30 40 CFEB COC(=O)/C(=C\C(C)=C\c1cccs1)C(C)=O 4903311 PSSYXVOLIQNVPA-FRQRXSQCSA-N 250.319 2.840 30 40 CFEB O=C(/C=C/Nc1ccc(C(=O)O)c(O)c1)c1ccccc1 489434 MSFFPBOSAHNARW-CMDGGOBGSA-N 283.283 2.899 30 40 CFEB biogenic N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 22263581 VPPBQPWWZUQGER-UHFFFAOYSA-N 294.310 2.972 30 40 CFEB CCOC(=O)[C@H](C#N)[C@H]1C(C)(C)[C@@H](C(C)C)C1(C#N)C#N 23477895 ZGZPVZDVNPMSIX-UPJWGTAASA-N 287.363 2.651 30 40 CFEB CN(C)c1ccc(C(=O)OCc2ccccc2C#N)cc1 3529815 SETCUWJSHJDKLF-UHFFFAOYSA-N 280.327 2.981 30 40 CFEB C=C(C)Cn1cnc2c3c(sc2c1=O)CC(C)(C)OC3 13690290 FFTHMZPAGXHAEO-UHFFFAOYSA-N 290.388 2.885 30 40 CFEB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1 9157207 AWFPYVGRPQJMOQ-LBPRGKRZSA-N 281.315 2.668 30 40 CFEB C/C(=N\Nc1ccc2nncn2n1)c1ccccc1Cl 4888921 ONMJLMPIDVQZIA-CXUHLZMHSA-N 286.726 2.614 30 40 CFEB Cc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc(C)c1O 7281817 OHNJHVFISLDWRO-DJKKODMXSA-N 295.342 2.541 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C/c2cccc3ccccc23)n1 7891459 OAXWPNMYCBEQSJ-LICLKQGHSA-N 278.315 2.678 30 40 CFEB Cc1ccccc1CN(C)CC(=O)Nc1sccc1C#N 7845702 UBKGOXOXRNMDIZ-UHFFFAOYSA-N 299.399 2.999 30 40 CFEB CC[C@@H](C#N)S(=O)(=O)N(C)[C@@H](C)c1cc(C)ccc1C 95439640 RNNPFVUWYGKOIM-KBPBESRZSA-N 294.420 2.928 30 40 CFEB C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 95406922 GJOQHZRLDCVYGQ-IAQYHMDHSA-N 285.372 2.655 30 40 CFEB Cc1cc([C@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]1 78901061 MVTVBNLDJQBULZ-INIZCTEOSA-N 280.375 2.969 30 40 CFEB COCCn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225853762 XGWLULPMEVWHPY-UHFFFAOYSA-N 289.766 2.833 30 40 CFEB C=CCn1c(C#N)cc(N)c1N1C[C@H](C)C[C@@H](C)C1 225867501 AYWNVKAZJCCTAK-VXGBXAGGSA-N 258.369 2.610 30 40 CFEB C[C@H](OC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc(C#N)c1 245339206 REYPKPJHJVKJED-KNXALSJPSA-N 295.342 2.700 30 40 CFEB N#Cc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 48710940 SOCBYSVPXKILEB-UHFFFAOYSA-N 292.386 2.843 30 40 CFEB c1ccc(C2=NOC[C@@]3(c4ccccc4)O[C@@H]23)cc1 5700525 DAOMNHVYJDEFOU-HOTGVXAUSA-N 251.285 2.715 30 40 CFEB C=CCN/C(S)=N/N=C\c1ccccc1Br 5453742 IBNSHIULDWHVTM-ZSOIEALJSA-N 298.209 2.844 30 40 CFEB N=C(N)N/N=C\c1c2ccccc2cc2ccccc12 5409856 DQGPLSQWZKWKPW-GRSHGNNSSA-N 262.316 2.810 30 40 CFEB O=S(=O)(CCc1ccccc1)/N=C/c1ccccc1 66210 JOOUAJLOPQPTGY-DTQAZKPQSA-N 273.357 2.678 30 40 CFEB COc1c(C)cnc(CNc2nnc(C)c(C)c2C#N)c1C 50953297 DICIJQABUKZQFF-UHFFFAOYSA-N 297.362 2.598 30 40 CFEB Cc1ccnc(NS(=O)(=O)c2ccc(N=[N+]=[N-])cc2)n1 8034118 GTXMBVUMAJNIER-UHFFFAOYSA-N 290.308 2.528 30 40 CFEB in-vitro C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ncccc1C#N 12578078 DZAXKRDNIAGRBG-TXEJJXNPSA-N 289.404 2.835 30 40 CFEB CC(C)Oc1cncc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 91698077 UGAJUXYAVLLUHU-AWEZNQCLSA-N 299.305 2.893 30 40 CFEB C=C(Cl)COC(=O)c1nc(SC)n2ccccc12 95955089 GLIRNKRHBCJLNU-UHFFFAOYSA-N 282.752 2.966 30 40 CFEB C=CCn1nnc(NCc2ccc(Cl)c(Cl)c2)n1 32617068 VFOBJNQEFWVQLJ-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB C=CCNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192925 QZOXYRVYBASXHD-AWEZNQCLSA-N 278.739 2.525 30 40 CFEB CC(=O)Nc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1 64926285 RZGMRLFDKCKBJO-JXMROGBWSA-N 297.358 2.891 30 40 CFEB N#CC1(NC(=O)Cc2cccc(Br)c2)CCC1 65611654 QANHYMSUQJCBIV-UHFFFAOYSA-N 293.164 2.554 30 40 CFEB C=CCNC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F 97235776 RTAAKCFPNXFLBE-LLVKDONJSA-N 288.269 2.784 30 40 CFEB CC(=O)Nc1ncc(Cc2cccc(C#N)c2)s1 30877804 SYNCTMKRLXYLBC-UHFFFAOYSA-N 257.318 2.564 30 40 CFEB CC#C[P@@](=O)(OC)[C@](O)(CF)c1ccccc1 547949 JOUKWMOMHKSHCK-SJKOYZFVSA-N 256.213 2.707 30 40 CFEB Cc1ccn2c3c(c(C#N)c2c1)C(=O)c1ccccc1C3=O 570984 UTHBBBIJAHSRNY-UHFFFAOYSA-N 286.290 2.895 30 40 CFEB N#Cc1c2ccccc2cc[n+]1Cc1ccc2c(c1)OCO2 1578098 HMIUTQCTTPAWCD-UHFFFAOYSA-N 289.314 2.776 30 40 CFEB C=CCNC(=O)c1cccc2c1-c1ccccc1C2=O 2051071 VULIXLBTZYDCEF-UHFFFAOYSA-N 263.296 2.814 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ccccc1C#N 75146500 AXXXKVWHHZXCDO-OAHLLOKOSA-N 287.388 2.705 30 40 CFEB Oc1cc(O)cc(/C=N/C[C@H]2OCCc3ccccc32)c1 494659 WQYFSISKCGGDKA-HJSBDDGSSA-N 283.327 2.831 30 40 CFEB Cc1nn(C)cc1[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 71904213 WLOLWHHARLGUKF-SECBINFHSA-N 285.307 2.682 30 40 CFEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1 56888477 DLJIQUNSHYCNBI-KRWDZBQOSA-N 295.386 2.903 30 40 CFEB C[C@@H]1NOC(=O)[C@H]1/N=N\c1ccc(Cl)cc1Cl 104287954 AVCZFBKFYDUHAM-GWEGCEQHSA-N 274.107 2.896 30 40 CFEB N#Cc1ccc(CNC[C@H](O)c2ccccc2F)cc1 37749057 WCHUSCXHMPJDQR-INIZCTEOSA-N 270.307 2.521 30 40 CFEB N#Cc1cccc(/C(O)=N/c2nc(-c3ccco3)n[nH]2)c1 12892038 PTPZMGKJSMIGDK-UHFFFAOYSA-N 279.259 2.573 30 40 CFEB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C#N 3424611 HMCLCSQAVDWFFE-JTQLQIEISA-N 258.350 2.888 30 40 CFEB C[C@@H](NC(=O)COc1ccccc1C#N)c1cccs1 5579034 BGUJRVNOTYTGQP-LLVKDONJSA-N 286.356 2.876 30 40 CFEB Cc1cc(N(C)/N=C(\S)Nc2ccccc2)nc(C)n1 8684287 NAZCXUIEJMTFLT-UHFFFAOYSA-N 287.392 2.843 30 40 CFEB COC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 7265369 RODZWKZYJNHGGR-UHFFFAOYSA-N 280.283 2.597 30 40 CFEB Cc1nc(C)c(C#N)c(SCc2ccccn2)n1 73719415 OIQSWDBUQVTLSW-UHFFFAOYSA-N 256.334 2.652 30 40 CFEB CN(CCOc1cccc(F)c1)Cc1ccc(C#N)o1 95982786 HJCJWTKNYJGFPW-UHFFFAOYSA-N 274.295 2.801 30 40 CFEB C[C@H](CCc1ccco1)NC(=O)c1cccc(C#N)c1 42270932 LQRYXCGWXPKDDY-GFCCVEGCSA-N 268.316 2.902 30 40 CFEB CC(C)Nc1cc(N2CCCCC2=O)ccc1C#N 199745866 PROXULCWSJTRPL-UHFFFAOYSA-N 257.337 2.895 30 40 CFEB CN1CCC[C@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1 585100779 WEZXYHXTTZIUOY-SFHVURJKSA-N 297.402 2.649 30 40 CFEB Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1 18068473 VUKQYGPKQHOFMB-QGOAFFKASA-N 282.343 2.979 30 40 CFEB NC(=O)[C@@]1(c2ccccn2)O[C@@H]1c1cccc2ccccc12 162572 XXMRRXBBQWOURU-AEFFLSMTSA-N 290.322 2.687 30 40 CFEB CCCC(C)(C)NC(=O)COc1ccc(C#N)cc1OC 50498139 BDKKJUBQXCMBJJ-UHFFFAOYSA-N 290.363 2.641 30 40 CFEB C[C@@H]1CCc2sc(NC(=O)CCC(=O)O)c(C#N)c2C1 188240 FJKWWFBDKXCYKL-MRVPVSSYSA-N 292.360 2.548 30 40 CFEB C[C@@H](Cc1ccco1)NC(=O)c1ccc(C#N)cc1 40510247 BTRJZUXTTWBAQQ-NSHDSACASA-N 254.289 2.512 30 40 CFEB CCOC(=O)[C@]1(Cc2ccccc2C#N)CCCCC1=O 1589741 ZGWOTCZGVPAFCC-KRWDZBQOSA-N 285.343 2.793 30 40 CFEB N#Cc1ccc(Cn2c(-c3ccc(F)cc3)noc2=O)cc1 4966337 TWQQBLYTCZUCFD-UHFFFAOYSA-N 295.273 2.562 30 40 CFEB CC1=CC(=O)/C(=C/Nc2cccc(C)c2C)C(=O)O1 102026556 RDNRGHXQWVUPQW-WQLSENKSSA-N 257.289 2.629 30 40 CFEB O=C1/C(=N/O)C[C@@H](c2ccccc2)N1c1ccccc1 103051913 YABBQMVESTWNFA-JEFCNZTNSA-N 266.300 2.995 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1ccc(Br)cc1F 37506391 WTYDRCULBYBIOU-MRVPVSSYSA-N 299.143 2.820 30 40 CFEB CC(C)c1n[nH]c(/N=C(\O)COC2CCCCC2)n1 58342157 OBXJTUBHPBIHED-UHFFFAOYSA-N 266.345 2.865 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)c1coc2ccccc12 97107175 SFDHEVSYVXCBJY-SECBINFHSA-N 281.333 2.866 30 40 CFEB COC(=O)C[C@H](C)SCc1ccc(F)cc1C#N 78813618 OHEAWFJYKVZAIR-VIFPVBQESA-N 267.325 2.882 30 40 CFEB Cc1cc(NCCCC(C)(C)C#N)ccc1C(N)=O 79074947 QZLDWXWKICBVCT-UHFFFAOYSA-N 259.353 2.836 30 40 CFEB CC1(C)OC2=CC(=O)C=CC2=Nc2ccc(O)cc21 71255640 RPDPOGJOTLBQSW-UHFFFAOYSA-N 255.273 2.753 30 40 CFEB COCCC(=O)N(CCC#N)c1ccc(C)c(C)c1 79000326 AMGBCDFYTMPQTC-UHFFFAOYSA-N 260.337 2.587 30 40 CFEB COC(=O)C1=C(B2OC(C)(C)C(C)(C)O2)CCCC1 307315896 MTRUKXSEUJSVMO-UHFFFAOYSA-N 266.146 2.661 30 40 CFEB C=C(C)[C@H]1O[C@H]1c1c(OC)ccc2ccc(=O)oc12 14650526 YTDNHMHONBWCBV-HIFRSBDPSA-N 258.273 2.818 30 40 CFEB biogenic,in-vitro Cc1nn(-c2cccc(C(F)(F)F)c2)c(N)c1C#N 14985494 AUAAPUWDEJJPGO-UHFFFAOYSA-N 266.226 2.653 30 40 CFEB C=CCO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 1565550113 PYCQLVFJKCGLIP-HWMZRRJGSA-N 275.392 2.925 30 40 CFEB CCN(CC)/C(=N\Nc1ccc(Cl)cc1)C(C)=O 102456953 RVXLLQJNBMTJEK-SSZFMOIBSA-N 267.760 2.996 30 40 CFEB N#Cc1ccc(NC(=O)COCCOc2ccccc2)cc1 20261588 GPZWNBYOZRQOFZ-UHFFFAOYSA-N 296.326 2.592 30 40 CFEB CC1CCC(NC(=O)NCC#Cc2ccccc2)CC1 32802853 FKRXDAQQDQATHU-UHFFFAOYSA-N 270.376 2.916 30 40 CFEB C=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O 1400201 IEFIUEHUSCUZIM-UHFFFAOYSA-N 298.342 2.685 30 40 CFEB Cc1ccc(NCCCNc2ncccc2C#N)nc1 58168516 HQQNZWBVKBULSQ-UHFFFAOYSA-N 267.336 2.571 30 40 CFEB Cc1ccc(CCC(=O)NC2(C#N)CCC2)c(C)c1 58325561 TWBJHDZHGWSTRD-UHFFFAOYSA-N 256.349 2.799 30 40 CFEB CCn1c(SCC#N)nnc1-c1ccccc1OC 4130566 ICKRAQROMMSKIA-UHFFFAOYSA-N 274.349 2.589 30 40 CFEB CN1CCN(C(=O)c2ccc(C#N)cc2)Cc2ccccc21 68864130 CGTWLDHMQBTMQA-UHFFFAOYSA-N 291.354 2.650 30 40 CFEB C=CCOc1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 73049448 DIEQOTDNCSAINK-ZDUSSCGKSA-N 274.364 2.532 30 40 CFEB CC[C@@H](C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 77302402 DNNWUTZYPFHFCR-LQGZHCLWSA-N 266.257 2.947 30 40 CFEB in-vitro C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CCCc2ccccc21 91628954 DZWWKSJPIFIOMF-SFHVURJKSA-N 293.370 2.910 30 40 CFEB C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CCCc2ccccc21 91628953 DZWWKSJPIFIOMF-GOSISDBHSA-N 293.370 2.910 30 40 CFEB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43O)[C@H]1CCC2=O 253617340 RVUDOXUDSXVAEV-CZIKEKGBSA-N 286.371 2.588 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccccc2CC)CC1 50028347 GQOZOQVLIDPYDB-UHFFFAOYSA-N 270.376 2.533 30 40 CFEB C#Cc1cccc(NCC(=O)N2CCCCCCC2)c1 57634855 UKQRSYVGWCMEEA-UHFFFAOYSA-N 270.376 2.873 30 40 CFEB C/C(=N/N=C1/N=C(c2ccccc2)CS1)c1nonc1C 16265798 GGWNIFAWPKBLTJ-YNEQSQDESA-N 299.359 2.694 30 40 CFEB O=[N+]([O-])c1ccc(/C(=N\c2ccccc2)N2CC2)cc1 17312002 SNPULEFLJPSWHU-FOCLMDBBSA-N 267.288 2.989 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 6258679 ZGBTVQAQGCCIFV-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 1429090 RNDTZTWLCFIMFK-UHFFFAOYSA-N 294.310 2.936 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C[C@H](C)C#N 68081864 DKOIHLJVKGSBCP-GFCCVEGCSA-N 297.358 2.811 30 40 CFEB COC(=O)c1cccc(/N=C/c2cccc(OC)c2O)c1 22728564 YCQJRDNQOPPUAK-LICLKQGHSA-N 285.299 2.938 30 40 CFEB Cc1nnc(S[C@H]2/C(=N\O)[C@H]3CC[C@H]2C3)s1 100965830 BXTDDAZSTPNURI-OWCLDDBHSA-N 255.368 2.567 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCC1 5446987 DEASQLXXNOWUSU-UHFFFAOYSA-N 273.292 2.985 30 40 CFEB N#Cc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 14908219 IOTLUZAWWAEMDI-PBWFPOADSA-N 282.343 2.892 30 40 CFEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 7308036 GVGIYIRFGGOZQY-GFCCVEGCSA-N 286.356 2.598 30 40 CFEB N#Cc1cc(N[C@@H]2CCC[C@H]2CO)nc2ccccc12 78364439 LLALEJKJEVCLAP-SMDDNHRTSA-N 267.332 2.679 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 73640173 MDTZYINOCHEEPN-UHFFFAOYSA-N 285.255 2.953 30 40 CFEB C=CCn1c(C#N)cc(N)c1Oc1cccc(OC)c1 225883903 NDFUFPDHFPTRPP-UHFFFAOYSA-N 269.304 2.929 30 40 CFEB COC(=O)c1ccccc1-n1c(C)cc(C#N)c1C 223715076 QVDWPLOMDTZBKF-UHFFFAOYSA-N 254.289 2.752 30 40 CFEB C=CC1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1 191592755 ZNQLOXCRQMJJBR-UHFFFAOYSA-N 287.359 2.742 30 40 CFEB CS[C@@H]1CCC[C@H](NC(=O)C2(C#N)CCCC2)C1 98010340 ICGIOPJBBKONOC-NWDGAFQWSA-N 266.410 2.861 30 40 CFEB CC1(C)O[C@H](C=O)[C@H]2CCc3c(O)cccc3[C@]2(C)O1 5028831 HYPQDBFRLCYFJP-XPKDYRNWSA-N 276.332 2.520 30 40 CFEB C/C(=N/Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 5412386 SGEWYJGLJMMHSC-GDNBJRDFSA-N 256.265 2.826 30 40 CFEB CNc1nnc(SCc2ccc(C#N)cc2F)s1 11541460 RTERUFJMNVJOQZ-UHFFFAOYSA-N 280.353 2.883 30 40 CFEB C[C@H](OCC(F)(F)F)C(=O)Nc1sccc1C#N 40093010 BZUFMFWFWNLPHZ-LURJTMIESA-N 278.255 2.526 30 40 CFEB C=C(C)CSc1nnc(-c2cccc(Cl)c2)n1N 532317 CTBBLSPWOPMOTA-UHFFFAOYSA-N 280.784 2.981 30 40 CFEB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC#N 4130568 RDZAXIHJZSNETQ-UHFFFAOYSA-N 293.783 2.696 30 40 CFEB Cc1c(O)ccc2c1O/C(=C\c1ccccn1)C2=O 41248331 USKJXWQPHAIEEZ-JYRVWZFOSA-N 253.257 2.712 30 40 CFEB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(CC#N)C2 103708635 ZCRNYFRNZGBEHU-GHMZBOCLSA-N 256.143 2.813 30 40 CFEB O=C[C@]12[C@H]3[C@H]4C=CC[C@@H]4[C@@H]4[C@H]5[C@H]6[C@H]([C@H]43)[C@H]1[C@@H]1CC[C@@H](O[C@H]52)[C@@H]61 104288700 GVVNEXCWLFFAGP-HAFQWYEJSA-N 294.394 2.539 30 40 CFEB CN(C)C(=O)Cc1ccccc1NCc1ccc(C#N)cc1 58173164 ZCQUHPVJORRCGS-UHFFFAOYSA-N 293.370 2.801 30 40 CFEB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC#N)c2ccccc21 58282062 FVPZFASSESXSKN-YDHLFZDLSA-N 285.391 2.807 30 40 CFEB CC1CCC2(CC1)NC(=O)N(/N=C/c1ccccc1)C2=O 3433063 HNWSYRXNKZACNO-GZTJUZNOSA-N 285.347 2.521 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc3c(c2)OCCO3)cc1 3556085 HFHHDOWZFULTIQ-UHFFFAOYSA-N 295.294 2.686 30 40 CFEB CS[C@@H]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)C1 96439200 CDSTXXVGWZPVFM-ZIAGYGMSSA-N 289.404 2.642 30 40 CFEB C[S@](=O)CCCNc1ccc(C(F)(F)F)c(C#N)c1 97144832 YDCALXSLBBSJTD-LJQANCHMSA-N 290.310 2.758 30 40 CFEB C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1ccco1 97200118 ARFPEOOBOUXFDD-SNVBAGLBSA-N 282.307 2.506 30 40 CFEB CC(C)(C#N)CCCN1CCC[C@H]1[C@H](O)C(F)(F)F 95405870 KXMNHQPTVBCXHZ-QWRGUYRKSA-N 278.318 2.704 30 40 CFEB C[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccncc1 79092894 HZLHYBUVKUYSDM-ZDUSSCGKSA-N 279.343 2.763 30 40 CFEB CCn1nc(C)c(/N=C/c2ccc3c(c2)OCO3)c1C 33743888 JONWACIZUCSALP-LZYBPNLTSA-N 271.320 2.999 30 40 CFEB C#Cc1cccc(OCC(=O)c2ccc(OC)cc2OC)c1 199727223 XSYPHDPASAGFDN-UHFFFAOYSA-N 296.322 2.947 30 40 CFEB CC(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1 198091672 HURBXHRKKUBPLF-UHFFFAOYSA-N 253.176 2.566 30 40 CFEB COc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1F 95096085 UMIYNXZQMNIQFD-KWQFWETISA-N 280.217 2.853 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccsc1 253375430 PTNJUJSELDTUET-XHSDSOJGSA-N 293.432 2.930 30 40 CFEB C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1OC 252483200 DXDHMFFQJNDJBB-UKRRQHHQSA-N 275.348 2.549 30 40 CFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)F)n1 306458989 DHESEHKLCMSCHG-UHFFFAOYSA-N 269.100 2.627 30 40 CFEB C=CCn1/c(=N/C(=O)C2CC2)sc2cccc(F)c21 100877816 KJSPXHSSIALXPI-PEZBUJJGSA-N 276.336 2.865 30 40 CFEB C=CCn1c(-c2ccccc2)cnc1SCC(=O)NC 44085679 UUAPUDVOBQMEFE-UHFFFAOYSA-N 287.388 2.574 30 40 CFEB C#CCSc1ncnc2c1cnn2-c1ccccc1 4341397 NMLOYEBYWOBSAV-UHFFFAOYSA-N 266.329 2.541 30 40 CFEB C=CCNS(=O)(=O)c1ccc(C)cc1OCCCC 36638843 PEZLPIDVPGMMRX-UHFFFAOYSA-N 283.393 2.638 30 40 CFEB C=CCSc1nc2ccsc2c(=O)n1CC 4091685 QAOGNSREWDTBJT-UHFFFAOYSA-N 252.364 2.756 30 40 CFEB Cc1cccc[n+]1CC(=O)N(c1ccccc1)C(C)C 4531901 NNZAURFQJDUDMK-UHFFFAOYSA-N 269.368 2.724 30 40 CFEB COc1ccc(NC=C2C(=O)CC(C(C)C)CC2=O)cn1 2549943 WFYPVWSEILMWDX-UHFFFAOYSA-N 288.347 2.590 30 40 CFEB Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(S)c1C#N 2558552 JIUJPNYIPRGRMD-UHFFFAOYSA-N 298.293 2.970 30 40 CFEB N#Cc1ccccc1C(=O)c1ccccc1CN1CCC1 2515601 LVHDPAJXIQUJPS-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB O=C(NCC#Cc1ccccc1)NC(C1CC1)C1CC1 45867579 XMYVEJAUZFTWMQ-UHFFFAOYSA-N 268.360 2.526 30 40 CFEB Cc1cc([C@@H]2CCCN2c2nnc(C)c(C)c2C#N)no1 29527457 XMEDROJBGIIXDH-AWEZNQCLSA-N 283.335 2.603 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C1CC1)C1CC1 22385356 YZKUTODWOPXKRM-LLVKDONJSA-N 284.359 2.630 30 40 CFEB N#C[C@H]1[C@H]2C[C@@H]([C@H]3[C@H]2N=NN3c2ccccc2)[C@H]1C#N 103868417 PZPNYKYVUALETI-JEWKUQAESA-N 263.304 2.540 30 40 CFEB S=C(NCCc1ccccc1)N/N=C1/C[C@@H]2CC=C[C@H]12 33777714 ZCCMBAOBDVBZME-LSZNUSBGSA-N 285.416 2.645 30 40 CFEB C=CCn1cc(/C=N/NC(=S)NCC)c2ccccc21 108051470 BSBHBAUXOBSQSV-LICLKQGHSA-N 286.404 2.645 30 40 CFEB COCCN(Cc1ccccc1C#N)CC(F)(F)F 71900594 FCIPGMVNXASVSD-UHFFFAOYSA-N 272.270 2.569 30 40 CFEB COc1ccc(-n2ncc(C#N)c2C(F)(F)F)cc1 1392178 VVKNUTMKTBJMIX-UHFFFAOYSA-N 267.210 2.771 30 40 CFEB C=C(Cl)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 69413781 SLPWLJKUZVWFBM-NSHDSACASA-N 287.812 2.835 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)Nc2ccc(C#N)cn2)c1 69487711 VUDSGDKVANHZPI-VXGBXAGGSA-N 255.325 2.520 30 40 CFEB C[C@H](Oc1ccccc1F)c1nnc(SCC#N)o1 7137751 PQJXCORMAQVSMG-QMMMGPOBSA-N 279.296 2.964 30 40 CFEB Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1Br 93220663 INFSFGXYGGRLLR-LBPRGKRZSA-N 293.164 2.790 30 40 CFEB C[C@H]1CO[C@@]2(CCCN(c3ccc(C#N)cc3)C2)C1 96073324 UQACDZGGEIGPOB-CJNGLKHVSA-N 256.349 2.954 30 40 CFEB C=CCOc1c(Br)csc1C(=O)OC 96511009 CEIDXJAIVBTQHC-UHFFFAOYSA-N 277.139 2.862 30 40 CFEB Cc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)ccn1 253432455 ZUMFAHTWQHEVTR-KRWDZBQOSA-N 279.343 2.840 30 40 CFEB N#CCCN(Cc1ccccn1)Cc1nnsc1Cl 81158736 HEHJMHUTKGXAHG-UHFFFAOYSA-N 293.783 2.502 30 40 CFEB O=C1C=C2OCOC2=C/C1=C/C=C/c1ccccc1 17062755 VPMDULOGKIZXLV-XOHVCTMJSA-N 252.269 2.981 30 40 CFEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3nc[nH]n3)o2)c1 4510498 JEVDNBCJGDZDFD-VGOFMYFVSA-N 283.247 2.724 30 40 CFEB N#Cc1c(Cl)nsc1NC[C@H]1CCCCO1 49057456 KFRSHVRGNRJTMT-SSDOTTSWSA-N 257.746 2.649 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccc2[N+](=O)[O-])c1 59457274 QKOXVXKLHHPYRO-RIYZIHGNSA-N 287.231 2.959 30 40 CFEB Cc1ccc(C)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 30283718 RLMXMVRRFRHIEV-INIZCTEOSA-N 271.364 2.524 30 40 CFEB COc1ccc(-c2cc(SC)c(C#N)c(=O)o2)cc1 1096769 WGCBFZZUJQDDSF-UHFFFAOYSA-N 273.313 2.909 30 40 CFEB Cc1cccc([C@@H]2CCCC[C@@H]2OS(C)(=O)=O)c1 1706511 XSFJGIWUKTVDRU-KBPBESRZSA-N 268.378 2.997 30 40 CFEB C=CC[C@@H](OC(C)=O)c1ccc(OC)c(OC)c1 1711282 ATYMEYHHVDIKCH-GFCCVEGCSA-N 250.294 2.884 30 40 CFEB C[C@@H](c1ccccc1Cl)N1CCN(CC#N)CC1 46512143 YRTXLZDEEBMKBW-LBPRGKRZSA-N 263.772 2.542 30 40 CFEB C=CCNC(=O)[C@@H](C)Sc1ncccc1Cl 48455900 ARBXINFRVYJVAM-MRVPVSSYSA-N 256.758 2.518 30 40 CFEB C=C(Br)CN(CC#N)Cc1ccccc1 69562151 IFUURATWQHUUSR-UHFFFAOYSA-N 265.154 2.921 30 40 CFEB N#Cc1ccccc1OC(=O)COc1ccccc1F 6303720 XGLNCZQIBHHHSK-UHFFFAOYSA-N 271.247 2.682 30 40 CFEB NC(=O)c1c(/N=C/c2cccnc2)sc2c1CCCC2 18142843 QLSCVJZEOPPDSB-GIJQJNRQSA-N 285.372 2.871 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@H]2C1 5529951 FXKCXGBBUBCRPU-OSRDXIQISA-N 252.354 2.985 30 40 CFEB C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C 6913555 UFAIZDMFSYSZNN-QMMMGPOBSA-N 262.313 2.625 30 40 CFEB CCN1C(=O)CS/C1=N/c1ccccc1Cl 15938145 QEBYIBXMOIEAAM-ACCUITESSA-N 254.742 2.923 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@H]1C1CC1 89794161 PNHMEXVQIUCVCF-JQWIXIFHSA-N 297.280 2.951 30 40 CFEB CC[C@H]1CC[C@H](C)N1C(=O)COc1ccc(CC#N)cc1 95458846 BTTKSZXWJDEVPJ-ZFWWWQNUSA-N 286.375 2.921 30 40 CFEB Cc1noc(CCCOc2ccc(C#N)cc2Cl)n1 78879627 HNCFQCDLYUXXSW-UHFFFAOYSA-N 277.711 2.915 30 40 CFEB CSc1ccc(O[C@H](C)C(=O)N(C)[C@@H](C)CC#N)cc1 76992156 IZWGTQVICHXZID-NWDGAFQWSA-N 292.404 2.936 30 40 CFEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C#N)c1C 223711693 NJCPNCKYGTVJDC-UHFFFAOYSA-N 271.276 2.883 30 40 CFEB CCCn1nc(Cc2ccccc2Cl)c(C#N)c1N 225830575 HXGKPXOGVLHEQV-UHFFFAOYSA-N 274.755 2.991 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccs1 253377022 VSZBKTQLRKUARG-IMJJTQAJSA-N 293.432 2.930 30 40 CFEB N#CCc1c(F)ccc(Br)c1[N+](=O)[O-] 97447162 DSESXPXUBARPCY-UHFFFAOYSA-N 259.034 2.562 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@H](C(N)=O)c2ccccc2)n1 992595 YLIIZPJAGSSJQI-AWEZNQCLSA-N 297.383 2.889 30 40 CFEB Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/O)CCC2 13555023 BSNNCDNTAXYKGK-GZTJUZNOSA-N 288.303 2.626 30 40 CFEB COC[C@H](C)/N=C1\SCCN1Cc1ccccc1 101278625 ALBGQULQSITNEQ-VCHHOEMESA-N 264.394 2.626 30 40 CFEB CC[C@H](C)/N=C(\N)SCc1nnsc1Cl 24514149 YJCFGRTZBLNEPP-YFKPBYRVSA-N 264.807 2.538 30 40 CFEB COc1ccc(CCC(=O)N(C)C2(C#N)CCC2)cc1 58431520 RJNNJDGIFHRVMT-UHFFFAOYSA-N 272.348 2.532 30 40 CFEB N#Cc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 4524559 HKROVNAKQKYDIX-SOFGYWHQSA-N 292.294 2.939 30 40 CFEB C=CCOc1ccc(/C=C2\N=C(C)OC2=O)cc1OC 4812841 AAOKSTZHOSFPBE-WQLSENKSSA-N 273.288 2.576 30 40 CFEB N#Cc1cc(Cl)ccc1N1CCC[C@H](CCC(N)=O)C1 69848312 OIJOAUIAVPZHHH-LLVKDONJSA-N 291.782 2.694 30 40 CFEB CCNC(=S)N/N=C/c1ccc(O[C@H](C)CC)cc1 409373778 VISOVTPDHDZUSK-HPUUJOOBSA-N 279.409 2.682 30 40 CFEB COc1cc(/C=N/N2C(=O)C[C@H]2c2ccccc2)ccc1O 71280259 SSXDWAXLTUNHNP-BGARDKSCSA-N 296.326 2.708 30 40 CFEB C=CCNC(=O)Nc1nc2c(F)cc(F)cc2s1 38671434 CHJBOFVHKYMNEB-UHFFFAOYSA-N 269.276 2.882 30 40 CFEB Cc1occc1C(=O)N(C)Cc1ccc(C#N)cc1 32616352 AZJJYJUXKKISAG-UHFFFAOYSA-N 254.289 2.732 30 40 CFEB N#CCc1nc2cc(Br)c(F)cc2[nH]1 86598756 CHZGWRCSNFMBSC-UHFFFAOYSA-N 254.062 2.531 30 40 CFEB CCOC(=O)/C(C)=N\Nc1ccccc1Br 199869544 ABWATJIINFXJFJ-JYRVWZFOSA-N 285.141 2.800 30 40 CFEB N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)nn2)cc1F 528789441 RSVFHMLOEZZHHD-HNNXBMFYSA-N 298.321 2.530 30 40 CFEB C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 96182337 LJXQYLGPDVMGNL-IAGOWNOFSA-N 284.403 2.557 30 40 CFEB N#C[C@H](c1c(Cl)cccc1Cl)n1cncn1 255188424 JTLQURIKDXXULR-SECBINFHSA-N 253.092 2.698 30 40 CFEB O=C[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 169802200 QNFXFNPKFBPSAA-GFCCVEGCSA-N 257.255 2.640 30 40 CFEB Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1O 5637056 YZBWBTQCFVSRHZ-NGYBGAFCSA-N 297.236 2.958 30 40 CFEB C=CCNC(=S)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 6394405 JBSXSUZAIYIDJQ-FZMZJTMJSA-N 252.427 2.948 30 40 CFEB C#Cc1cccc(NC(=O)c2ccccc2OC)c1 41636780 SRZNCFJBDBEIJE-UHFFFAOYSA-N 251.285 2.929 30 40 CFEB CN(C)/C=C\C(=O)c1ccc(Br)cc1 100255661 IGZLESKZUATMSD-FPLPWBNLSA-N 254.127 2.707 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(O)cc1)O2 34145503 PTQFQYKDIQOOMX-OVCLIPMQSA-N 296.278 2.795 30 40 CFEB Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1O 26021066 FHTVZNGBOLOQIN-UHFFFAOYSA-N 267.284 2.929 30 40 CFEB C#CCNC(=O)c1cccc(OCc2ccccc2)c1 12824867 WMBCLUALLKBREU-UHFFFAOYSA-N 265.312 2.629 30 40 CFEB CCN(CC)CC1CCN(C(=O)c2cccc(C#N)c2)CC1 49075430 WHEUQBYYGCBWMI-UHFFFAOYSA-N 299.418 2.752 30 40 CFEB CCCCNC(=S)N/N=C(\C)c1ccc(F)cc1 5119837 RVJHKBZUPNEDLF-MHWRWJLKSA-N 267.373 2.814 30 40 CFEB C=CCNC(=S)NN=C1CCC(CCC)CC1 5446616 CDTDMGMBBLHIMQ-UHFFFAOYSA-N 253.415 2.983 30 40 CFEB N#CCOC(=O)c1csc(-c2cccs2)n1 7074350 SYZDAKFGTJHRQX-UHFFFAOYSA-N 250.304 2.552 30 40 CFEB CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c(C#N)c1 225812797 GOGCXKPLEZPGFC-MRXNPFEDSA-N 288.347 2.711 30 40 CFEB COc1ccc(C#CCO[C@H]2CCCCO2)cc1OC 95631954 RANKLNVWXVQSLW-INIZCTEOSA-N 276.332 2.599 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1F 7268479 NOUDNUZGKZZOKP-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB Nc1ccc(/N=C(\S)Nc2ccc(N)cc2)cc1 1669762 BOXVYMDQQMOOGS-UHFFFAOYSA-N 258.350 2.880 30 40 CFEB C=CCNC(=O)Nc1ccc(Br)cc1F 40525818 MWQRUGYWJZSWQX-UHFFFAOYSA-N 273.105 2.896 30 40 CFEB O=C(CC[C@H]1CCCO1)OCC#Cc1ccccc1 59831176 RTQYJQVGFMSSSH-OAHLLOKOSA-N 258.317 2.541 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1ccccc1OC(F)F 2791836 YUUYKLKITYEAIB-MKMNVTDBSA-N 284.291 2.733 30 40 CFEB C[C@@H](/C(=N\O)c1ccccc1)N1C(=O)c2ccccc2C1=O 104237486 OQRWHCYNZKHNHQ-IRPICPOESA-N 294.310 2.550 30 40 CFEB Cc1cc2ccccc2n1CC(=O)N(CCC#N)CCC#N 58282914 ICGKTMJYUPUUSS-UHFFFAOYSA-N 294.358 2.606 30 40 CFEB CN(C(=O)CNc1cccc(C#N)c1)c1ccccc1 36226824 ZUBMZXGVERWJGL-UHFFFAOYSA-N 265.316 2.633 30 40 CFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1 3445308 DDQDDXRLPUKGQV-LBPRGKRZSA-N 266.300 2.964 30 40 CFEB CCCCCC1=CCC/C1=N\NC(=S)NCCOC 5119953 KVQVWPJNRALNSQ-DTQAZKPQSA-N 283.441 2.753 30 40 CFEB N#Cc1c(NC(=O)NCc2cccnc2)sc2c1CCC2 6670082 AUCCGLRDJYOJJZ-UHFFFAOYSA-N 298.371 2.825 30 40 CFEB Cn1nccc1C(=O)/C=C\c1ccccc1OC(F)F 6925477 LNCQUKYSKMPBGP-SREVYHEPSA-N 278.258 2.918 30 40 CFEB CC[C@H]1CCCCN1C(=O)COc1ccc(C#N)cc1 9377879 UQWHUGBVGSQZDT-AWEZNQCLSA-N 272.348 2.728 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 9378592 SHHWHRMNKTWRDZ-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB COC(=O)C[C@H](C)SCc1ccc(C#N)cc1F 78813821 KETYLKXKDFHLRF-VIFPVBQESA-N 267.325 2.882 30 40 CFEB C=CCNC(=O)c1ccc2nc(Cl)sc2c1 225976310 GBEQHTKQSHWNKW-UHFFFAOYSA-N 252.726 2.866 30 40 CFEB O=C(Nc1ccccc1)ONC(=O)c1ccccc1 139159950 NSDGYCCYSJGXPL-UHFFFAOYSA-N 256.261 2.580 30 40 CFEB O=C(NC[C@H]1CO1)c1cccc(Oc2ccccc2)c1 95097046 DIHKTJHNIZFDPX-HNNXBMFYSA-N 269.300 2.608 30 40 CFEB CCC(CC)/C(O)=N/S(=O)(=O)c1sc(C)nc1C 96446954 PNCHTHTUJISUMA-UHFFFAOYSA-N 290.410 2.841 30 40 CFEB C[C@@H]1C[C@]2(C3CC3)O[C@H]2CN1C(=O)OC(C)(C)C 252495678 OVOINZNDAVIGKA-OLUVUFQESA-N 253.342 2.563 30 40 CFEB Oc1ccccc1/C=N\CC/N=C/c1ccccc1O 100009027 VEUMANXWQDHAJV-MJZABRMRSA-N 268.316 2.636 30 40 CFEB Cc1nc(CN(CCC#N)Cc2ccccn2)cs1 79020219 BDQNRRQLJNFPHU-UHFFFAOYSA-N 272.377 2.762 30 40 CFEB N#Cc1ccccc1OC[C@@H](O)c1ccccc1F 95439006 OUXFHKRTJXEZPF-CQSZACIVSA-N 257.264 2.810 30 40 CFEB N/C(=C\C(=O)c1cccs1)C(F)(F)C(F)(F)F 17720507 FFEVIVKNBREGHT-DAXSKMNVSA-N 271.210 2.971 30 40 CFEB CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 29877968 DTDOCYVUKMDSOL-UHFFFAOYSA-N 298.371 2.900 30 40 CFEB N#Cc1ccccc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 61644 WSLDEPHDUVVRNF-CAOOACKPSA-N 295.254 2.946 30 40 CFEB C#CC[N+](C)(C)CC(=O)c1cccc2ccccc12 3155254 ZBANWHSZDXRXLL-UHFFFAOYSA-N 252.337 2.732 30 40 CFEB CC(=O)/C(=C\c1ccccc1Cl)C(=O)CCN(C)C 8655431 ZAGPJIGQCPZZBH-JLHYYAGUSA-N 279.767 2.833 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@H](C)c2ccccc2)c1 23901770 VSGOWQLMBQOICP-CQSZACIVSA-N 278.355 2.957 30 40 CFEB C=CCN(CC=C)C(=O)NC(=S)c1ccccc1 408733049 VDQDJPBCGOUAKJ-UHFFFAOYSA-N 260.362 2.746 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCc1cc(F)ccc1F 69348362 XJMLXHJYTPWYFE-LBPRGKRZSA-N 266.291 2.706 30 40 CFEB N#Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 6251284 UNRUWZYSZFZCAL-UHFFFAOYSA-N 290.388 2.727 30 40 CFEB N#CCN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)C1CC1 95404732 DDVBLALONHQGOT-WMZOPIPTSA-N 280.371 2.795 30 40 CFEB N#Cc1c(F)cccc1Oc1ccc([N+](=O)[O-])cn1 95974620 OFXJXHXZHAELFU-UHFFFAOYSA-N 259.196 2.793 30 40 CFEB CC(C)/N=C/CC(O)(C(F)(F)F)C(F)(F)F 33369426 PRARVJASXOSCQK-SYZQJQIISA-N 251.170 2.711 30 40 CFEB CC(C)c1ccc([C@H]2C[C@@H]2/C(O)=N/S(C)(=O)=O)cc1 77940341 VPOCBKOWRIVDFH-OLZOCXBDSA-N 281.377 2.830 30 40 CFEB CCNC(=NCc1ccccc1OCC1CC1)NCC 225408055 PRGQKGPMBZQQNQ-UHFFFAOYSA-N 275.396 2.550 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 45071408 KJXWUOSFKJBGMD-DYEKYZERSA-N 264.346 2.665 30 40 CFEB COc1cccc(/C=[N+](/C)[O-])c1OCc1ccccc1 3125611 NSRFXSBAYDNICR-BOPFTXTBSA-N 271.316 2.833 30 40 CFEB C#Cc1cccc(NC(=O)Cc2noc3ccccc23)c1 12981038 USZWAYZJARDJMA-UHFFFAOYSA-N 276.295 2.990 30 40 CFEB O=C1/C(=C\c2ccc(O)c(O)c2)Cc2ccccc21 1736134 PPOMQCAGVJQMEO-GHXNOFRVSA-N 252.269 2.920 30 40 CFEB C[C@H]1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1 20503048 LIKHXLCMRMLWIA-JTQLQIEISA-N 264.332 2.722 30 40 CFEB C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1cccc(C#N)c1 104224906 MYYGJCNOYOREDY-KNPMLCFXSA-N 266.344 2.948 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cccc(C)c1C 100415111 PNJVHCYPMOFLCH-PTNGSMBKSA-N 254.717 2.831 30 40 CFEB COCc1ccccc1CNC(=O)c1ccc(C#N)cc1 25304127 VFIOSEPCALFIAF-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB N#CCCN(Cc1cccnc1)C(=O)/C=C/c1ccco1 58016672 XQVAVISSUUXKKE-VOTSOKGWSA-N 281.315 2.630 30 40 CFEB c1ccc2c(c1)C(=NN1CCOCC1)c1ccccc1-2 3264777 AEGURMPPMKBMGD-UHFFFAOYSA-N 264.328 2.752 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 12831798 CTPPKKBDAJKIEP-AWEZNQCLSA-N 291.310 2.623 30 40 CFEB CCN(Cc1csc(-c2cnn(C)c2)n1)C[C@H](C)C#N 49442054 HXNRUZYMYGYADG-LLVKDONJSA-N 289.408 2.525 30 40 CFEB COC(=O)c1ccc(OC)cc1OCc1ccc(C#N)cc1 5473251 AABVYJYSKKKEKX-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 9155289 AWQRWTOQMUXPLS-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB N#Cc1ccc(NCCCOC[C@@H]2CCOC2)c(F)c1 72293804 XRSABRHZNKSVDM-ZDUSSCGKSA-N 278.327 2.552 30 40 CFEB N#CCN1CCC(Oc2cccc(Br)c2)CC1 97135306 VVBQZMSNYZPWOH-UHFFFAOYSA-N 295.180 2.816 30 40 CFEB C=C[C@H](C)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97142991 UXBMMDROZFBOSN-QEJZJMRPSA-N 274.364 2.780 30 40 CFEB COC(=O)C[C@@H](C)SCc1ccc(C#N)cc1F 78813829 KETYLKXKDFHLRF-SECBINFHSA-N 267.325 2.882 30 40 CFEB C=CCOCCCC(=O)N1CCSc2ncccc21 78949639 XFBFFDNBNOBARU-UHFFFAOYSA-N 278.377 2.503 30 40 CFEB Cc1ccc(S(=O)(=O)OCCC(F)(F)F)cc1 39257081 XQTHZBKUIVFAST-UHFFFAOYSA-N 268.256 2.653 30 40 CFEB C=C(C)C(=O)O[C@H](C)CC(O)(C(F)(F)F)C(F)(F)F 34947663 CZDKPGBADTUZLK-ZCFIWIBFSA-N 294.191 2.740 30 40 CFEB N/N=C1/C(OC(=O)Nc2ccccc2)=Nc2ccccc21 17723543 VRUKOGTVWUCQDH-CPNJWEJPSA-N 280.287 2.642 30 40 CFEB in-vitro N#Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1 6880839 GDAFZUCHDZBFBZ-UHFFFAOYSA-N 254.264 2.879 30 40 CFEB CC1(C)CC(=O)C([C@H](NC(N)=O)c2ccccc2)=C(O)C1 1888897818 BXPVSYIZXSUZDK-CQSZACIVSA-N 288.347 2.597 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1 29370294 IRFSQXIWCGLALE-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB C=CCNC(=O)CCCn1cc(-c2ccccc2)cn1 227165066 JDDCDJWEXHONCF-UHFFFAOYSA-N 269.348 2.633 30 40 CFEB C#CCN1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 50023983 MDHVTNPWGNQGIR-SFHVURJKSA-N 296.414 2.525 30 40 CFEB C#CCNC(=O)c1cnc(-c2ccccc2Cl)s1 50552442 YTBJUTKREPGIKT-UHFFFAOYSA-N 276.748 2.827 30 40 CFEB COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C)n2)cc1 419797 POBZXLZOXXJMIU-AWEZNQCLSA-N 295.342 2.720 30 40 CFEB COc1ccc(Cl)c2c1C1(C[C@@H](CC=O)C2)OCCO1 1708572 JNFVDKXSFKDNQT-JTQLQIEISA-N 296.750 2.700 30 40 CFEB COc1ccc(CC(=O)OCc2ccc(C#N)cc2)cc1F 7568580 BOIZHLXIKQZCKA-UHFFFAOYSA-N 299.301 2.992 30 40 CFEB O=C(/C=C/Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 102936340 GKESKOLRMGMRHD-AATRIKPKSA-N 260.171 2.652 30 40 CFEB O/C(=N\c1ncn[nH]1)C1(c2ccc(Cl)cc2)CC1 26263897 SAQLHIOEROTGPT-UHFFFAOYSA-N 262.700 2.778 30 40 CFEB O/N=C/c1c(Cl)nc(Cl)n1-c1ccccc1 36379627 BGJRRMRFYMAGAC-AWNIVKPZSA-N 256.092 2.987 30 40 CFEB in-vitro N#Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 13930264 CTCRRRMVPLJCKW-UHFFFAOYSA-N 289.294 2.652 30 40 CFEB COc1ccc(NC(=O)/C(O)=C\C(=O)c2ccccc2)cc1 5724406 CPGYXQXLKIJUIX-LFIBNONCSA-N 297.310 2.959 30 40 CFEB C=CCNC(=O)/C=C/c1cc2cc(OC)ccc2o1 67339884 IDUXUORBBBLYOF-FNORWQNLSA-N 257.289 2.757 30 40 CFEB C#CCOc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 89904846 GZRAUPKEYFQKSE-XJKSGUPXSA-N 259.349 2.528 30 40 CFEB C[C@H](CNc1ccc(F)cc1C#N)Cn1cccn1 91453006 XJDKGAOETRERNX-LLVKDONJSA-N 258.300 2.642 30 40 CFEB CCC(CC)/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505125 JEWYCMXFBJKJHZ-UHFFFAOYSA-N 294.376 2.781 30 40 CFEB Cc1ccccc1/C=N/n1c(C)cc(C)c(C#N)c1=O 116565 BIKDVAWGWYIOHR-VCHYOVAHSA-N 265.316 2.527 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc[nH]c3c2)c1 5003835 BOIIDPVLBLMMOV-VIZOYTHASA-N 282.259 2.927 30 40 CFEB N#CC1(c2ccccc2)CCN(c2ncccn2)CC1 1888903937 JAJVHNVXDTWSQK-UHFFFAOYSA-N 264.332 2.538 30 40 CFEB C[C@H](Cc1ccoc1)NC(=O)c1cccc(C#N)c1 84836045 BFHXDSAPTHHFSG-LLVKDONJSA-N 254.289 2.512 30 40 CFEB N#Cc1c(F)cccc1NCCc1cn2ccccc2n1 40050416 XYHPAFPYNPDLDV-UHFFFAOYSA-N 280.306 3.000 30 40 CFEB CCCCNC(=S)N/N=C(/C)c1ccc(C)cc1 6778444 GXJSQUUJZUBCME-VBKFSLOCSA-N 263.410 2.983 30 40 CFEB CCCCCC/N=C\c1c(CO)cnc(C)c1O 104390849 OGIVABLAEYJRAV-DHDCSXOGSA-N 250.342 2.587 30 40 CFEB C=C(C)CNC(=S)N(C)c1ccccc1OC 54971077 KWNIQUQTTUPYTM-UHFFFAOYSA-N 250.367 2.582 30 40 CFEB COc1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1 59475085 AGQZKXLFEOFULJ-CXUHLZMHSA-N 271.272 2.850 30 40 CFEB COc1ccc(C(=O)COC(=O)c2ccc(C#N)cc2)cc1 3228542 MUQRTMQNHHBGPM-UHFFFAOYSA-N 295.294 2.607 30 40 CFEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccccc1 4090608 IOIGMBSGOWPJIS-GDNBJRDFSA-N 293.322 2.785 30 40 CFEB biogenic COc1ccc(/C=[N+](\[O-])c2ccccc2)c(OC)c1 5016295 YQEZJSSJLUJQDH-WJDWOHSUSA-N 257.289 2.965 30 40 CFEB CN1CCCC[C@H]1CCOC(=O)c1cccc(C#N)c1 78253982 SBBISCZKDNMLGU-HNNXBMFYSA-N 272.348 2.589 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2F)nc1 408748636 BLHHWAJQRDMGFU-CHHVJCJISA-N 260.228 2.575 30 40 CFEB COC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1C#N 225789527 TWMVQWWIIJGDRH-UHFFFAOYSA-N 276.336 2.709 30 40 CFEB C#CCOc1c(C#N)cc(C(C)(C)C)cc1[N+](=O)[O-] 225293476 MXDLBGQHUSPQBV-UHFFFAOYSA-N 258.277 2.776 30 40 CFEB N#Cc1cnccc1Oc1ccc2c(c1)OCCO2 685937891 ZHLZEHOAMXIDTH-UHFFFAOYSA-N 254.245 2.517 30 40 CFEB FC(F)(Br)[C@@](F)(Cl)C[C@H]1CO1 4241498 UCZRRFGLOXGSDP-IUYQGCFVSA-N 253.445 2.668 30 40 CFEB N#Cc1cccc(COC(=O)c2cccc(C#N)c2)c1 7395539 LEHDTERDZLXIDM-UHFFFAOYSA-N 262.268 2.787 30 40 CFEB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC#N)N2C1=O 2965415 COHYMRLCKRCOHK-LBPRGKRZSA-N 298.371 2.558 30 40 CFEB Fc1cc(Cl)cc(F)c1N1CCC[C@@]2(CO2)C1 1857794558 ZZYSUHAGOILSIX-LBPRGKRZSA-N 259.683 2.987 30 40 CFEB C=CC/N=c1\scc(C)n1/N=C/c1cccs1 101460178 UIKCIUXNZWNTPD-PDHOTBSTSA-N 263.391 2.888 30 40 CFEB CCC(=O)/C(=C\c1ccccc1)C(=O)[C@@H](C)CN(C)C 8655432 VTXHZGOQYNVMSB-JMRXEAOASA-N 273.376 2.816 30 40 CFEB CCCC/C(=N\Nc1nnc(C)c(O)n1)c1ccccc1 8735715 GOGVHKPMDDBQDD-QGOAFFKASA-N 285.351 2.892 30 40 CFEB CC1(C)OB(c2ccc(-c3ncco3)cc2)OC1(C)C 170024282 BPBJCLGGUPENKL-UHFFFAOYSA-N 271.125 2.641 30 40 CFEB CC1(C)CC(/N=C2\CCCCCN2)CC(C)(C)N1 2659639 WBUGSJLRJZCJOZ-UHFFFAOYSA-N 251.418 2.858 30 40 CFEB Cc1ccccc1N/N=C1\C=CC(=O)c2cccnc21 109665265 XMMWPXZTBJEFAM-XMHGGMMESA-N 263.300 2.959 30 40 CFEB N#C[C@H](C(=O)C[C@@H]1CCCO1)c1nc2ccccc2o1 54736064 IDYZXUXYQDLJCO-WDEREUQCSA-N 270.288 2.573 30 40 CFEB CC(=O)C1=C(NC(=O)Cc2ccccc2)C[C@H]2[C@@H]1C2(C)C 2099831 YHJWXXURBVCFHD-GUYCJALGSA-N 283.371 2.864 30 40 CFEB biogenic O=S(=O)(/N=C1/CCCCCN1)c1ccccc1Cl 3193890 AQGDPOPCSKAHEN-UHFFFAOYSA-N 286.784 2.591 30 40 CFEB CC[C@@H](C#N)NC(=O)c1cnc(OC(C)C)c(Cl)c1 69451971 GMHCJQHGTFEGOH-JTQLQIEISA-N 281.743 2.554 30 40 CFEB CCOc1ncccc1C(=O)Oc1ccccc1C#N 14109569 HLRDIOBPFFUABD-UHFFFAOYSA-N 268.272 2.571 30 40 CFEB Cc1ccc(Oc2ccccc2)c(NCC(=O)NCC#N)c1 84919218 CSQBUOMMLAFBEU-UHFFFAOYSA-N 295.342 2.839 30 40 CFEB Cc1cc(/C(O)=N/S(=O)(=O)[C@H](C)CC(C)C)c(C)o1 73826557 AOBUFMLSDMZIFT-SNVBAGLBSA-N 287.381 2.965 30 40 CFEB C=CCNC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 89662541 CJSAYRRRDZTEES-UHFFFAOYSA-N 296.411 2.620 30 40 CFEB Cn1c(/C(C#N)=N/Nc2cccc(O)c2)nc2ccccc21 4235606 ZRJVQGUIEOKDLL-XSFVSMFZSA-N 291.314 2.619 30 40 CFEB Cc1cccc(-n2c(C)nnc2S[C@H](C)C#N)c1 5358802 YAGKXMZPSZTRIG-SNVBAGLBSA-N 258.350 2.888 30 40 CFEB C#CCOCC1CCN(C(=O)Nc2cccc(C)c2)CC1 49028896 IDNINFCMLZHCAZ-UHFFFAOYSA-N 286.375 2.889 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1 598422728 DXLABPXEXYRXBD-GASCZTMLSA-N 252.317 2.881 30 40 CFEB C=C(C)c1cccc(C(C)(C)NC(=O)NCCOC)c1 1777658 GUTQSNMVAUFJSN-UHFFFAOYSA-N 276.380 2.900 30 40 CFEB O=C(NCC#Cc1ccccc1)NCCc1cccs1 32802856 XNNDFIZSHUFWHO-UHFFFAOYSA-N 284.384 2.642 30 40 CFEB CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2)c1 2633172 CLHOBCKZEQBXQB-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB Cc1cc2nnc(SCc3ccccc3C#N)n2c(C)n1 32922539 QDEBRSBUNALXQL-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB Cn1cc(CNc2c(C#N)cnc3c(F)cc(F)cc23)cn1 71900387 MHQDSIPOUBRAPO-UHFFFAOYSA-N 299.284 2.730 30 40 CFEB S=C(NCc1ccco1)NN=C1CCCCCC1 508361 AIIKSKLVYRCMII-UHFFFAOYSA-N 265.382 2.954 30 40 CFEB N#C/N=C1\N=[S@@](=O)(c2ccccc2)c2ccccc21 104201652 FLYMZSKTSGKHJB-WLGQOEQESA-N 267.313 2.814 30 40 CFEB O/C(CSCc1cccc(Cl)c1)=N\c1ncn[nH]1 23142823 VFIPCBRELZMBFF-UHFFFAOYSA-N 282.756 2.980 30 40 CFEB CN(C)C1=N/C(=N\c2ccccc2[N+](=O)[O-])c2ccccc21 103598048 SBVGJJKQLBMRGL-ICFOKQHNSA-N 294.314 2.995 30 40 CFEB C=CCOC(=O)c1sc2nc(C)cc(C)c2c1N 6390244 KEEMCPNSBXBGCL-UHFFFAOYSA-N 262.334 2.838 30 40 CFEB CC(C)c1cc(C(=O)[C@H](C#N)c2ccc(F)cn2)n[nH]1 76094854 IJLHJARGFZNBME-SNVBAGLBSA-N 272.283 2.557 30 40 CFEB COCCONC(=O)c1ccccc1-c1ccccc1C#N 75093867 CCNDUTYQXWGFBI-UHFFFAOYSA-N 296.326 2.533 30 40 CFEB C=CCNCc1ccc(-c2ccc(C(=O)O)cc2)o1 20875519 CMPWUOHVEYGJQX-UHFFFAOYSA-N 257.289 2.920 30 40 CFEB Cc1ccc(Cl)c(S(=O)(=O)N(C)C2(C#N)CCC2)c1 96502822 JKAGYNZWRLBDSR-UHFFFAOYSA-N 298.795 2.715 30 40 CFEB N#Cc1c(O)sc(=O)c(C#N)c1-c1ccc(Cl)cc1 5896143 CWAHHSJCHFBRBX-UHFFFAOYSA-N 288.715 2.878 30 40 CFEB O=C1N[C@@H](c2cccs2)C(C(=O)c2ccccc2)=C1O 5409247 NONFNXXSKYCGLB-LBPRGKRZSA-N 285.324 2.614 30 40 CFEB Cc1nn(C)c(Cl)c1/C=N/OC(=O)c1ccc(F)cc1 1386950 OYSFVKXMYQPQHY-FRKPEAEDSA-N 295.701 2.712 30 40 CFEB COc1ccc(/C(=N\O)c2ccc(OC)cc2OC)cc1 5513407 KZULFGRPXPBGEK-WUKNDPDISA-N 287.315 2.939 30 40 CFEB Cc1ccoc1C(=O)Nc1ccc(OCC#N)cc1 25320734 LWKNGFQOHHCIBD-UHFFFAOYSA-N 256.261 2.743 30 40 CFEB Cc1ccccc1/C(N)=N/OC(=O)/C=C/c1ccccc1 4905768 JPPMYXIJXYYLIX-VAWYXSNFSA-N 280.327 2.872 30 40 CFEB C/N=C1/S/C(=C/c2ccc(Cl)s2)C(=O)N1C 101696075 INPZOLRPCMYRJM-WRRYRWARSA-N 272.782 2.933 30 40 CFEB COc1ccccc1CN1C(=O)/C(=N\O)c2cccc(C)c21 12438443 KYBFFBKCUMKWHD-SDXDJHTJSA-N 296.326 2.729 30 40 CFEB C=CCNC(=O)/C=C/c1ccc(OCC)c(OCC)c1 1780462 CJIKUTXFQKRNFA-CSKARUKUSA-N 275.348 2.799 30 40 CFEB C[C@H](SCC(=O)NCCC#N)c1ccc(F)cc1 49462573 NOEKNZRGWOZDML-JTQLQIEISA-N 266.341 2.650 30 40 CFEB C[C@@H](Nc1ccccc1)C(=O)Nc1cccc(C#N)c1 5118964 YLKIAFDXXYYEHV-GFCCVEGCSA-N 265.316 2.997 30 40 CFEB O=[N+]([O-])c1ccccc1N/N=C/c1ccc(O)cc1 4616735 DECUPVLVBFVWSE-NTEUORMPSA-N 257.249 2.746 30 40 CFEB COC(=O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 95369383 FESAJMFRXROUND-UHFFFAOYSA-N 294.354 2.733 30 40 CFEB Oc1ccccc1/N=C\c1ccc(N2CCOCC2)cc1 409090514 QZARJJSGVCDODG-AQTBWJFISA-N 282.343 2.979 30 40 CFEB Cc1nc(C#N)c(NCCc2nc(-c3ccccc3)no2)o1 35671852 SEAQPJITZVAMPQ-UHFFFAOYSA-N 295.302 2.559 30 40 CFEB C=CCNc1ccc(Br)cc1[N+](=O)[O-] 42206252 HRMZYAQLTAGQQU-UHFFFAOYSA-N 257.087 2.955 30 40 CFEB N#Cc1ccsc1NC(=O)Cc1ccc2c(c1)OCO2 9521614 SDHARQFBDBFEEZ-UHFFFAOYSA-N 286.312 2.530 30 40 CFEB CC(=O)N1/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)c2ccccc21 102442261 WVNHVCNRJNYZNX-JYRVWZFOSA-N 298.254 2.778 30 40 CFEB Fc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1 2789513 VFQJJRBERKQICN-LHHJGKSTSA-N 272.255 2.526 30 40 CFEB C[C@H]1[C@@H](C)SCCN1C(=O)C1(C#N)CCCCC1 71911082 RNSPTEKPTBJZLS-NWDGAFQWSA-N 266.410 2.813 30 40 CFEB Cn1cccc1/C=C/C(=O)OCc1ccccc1C#N 7987509 KWAJBTZCQIJAMZ-CMDGGOBGSA-N 266.300 2.653 30 40 CFEB CC[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCC2 69452666 FBZGRMSBYYPHSK-MRXNPFEDSA-N 256.349 2.526 30 40 CFEB N#Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 14282594 HCQMSXYZYAKYSU-CQSZACIVSA-N 291.310 2.623 30 40 CFEB Cc1csc([C@H](C#N)C(=O)Nc2ccccc2)n1 89705279 ZYPJGENOBBHELT-LLVKDONJSA-N 257.318 2.697 30 40 CFEB C=C(C)CN(CC)C(=O)Nc1cccc([S@](C)=O)c1 95398408 SMUMGKKSFRDAFF-LJQANCHMSA-N 280.393 2.854 30 40 CFEB N#Cc1cnc2ccc(Cl)cc2c1N1CCOCC1 35537967 QPBCAQVSCFSJLC-UHFFFAOYSA-N 273.723 2.596 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N\c2cccc(O)c2)c1 83331469 UXUOJZYQLWPXPR-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB CCn1nc(OCc2ccccc2Cl)c(C#N)c1N 225830139 WFTIPRDYGVCVAR-UHFFFAOYSA-N 276.727 2.589 30 40 CFEB COCc1noc([C@@H](C)Oc2ccc(C#N)c(Cl)c2)n1 190271543 UGIJOAODNJZQHG-MRVPVSSYSA-N 293.710 2.881 30 40 CFEB C[C@H](CNC(=O)C1(C#N)CCCC1)Oc1ccccc1F 96431451 KRYXHCPRSNDDBZ-GFCCVEGCSA-N 290.338 2.793 30 40 CFEB ON=Cc1cc(Br)cc(Br)c1O 254737639 LRNICNSWROUZCF-UHFFFAOYSA-N 294.930 2.725 30 40 CFEB CC(C)c1nnc(NC(=O)C2(C#N)CCCC2)s1 52772266 SFZHJIDOOJNTAI-UHFFFAOYSA-N 264.354 2.684 30 40 CFEB C=CCNC(=O)Nc1cccc(COCCOC(C)C)c1 62416814 XKTVNQNADKVVSG-UHFFFAOYSA-N 292.379 2.936 30 40 CFEB COc1cccc(CN(C)c2ncccc2C#N)c1 12808840 IXOBJAUMLIQUID-UHFFFAOYSA-N 253.305 2.598 30 40 CFEB C=CCN(Cc1ccc(Cl)s1)C(=O)COC 45603573 OBNRNQJFXLDMJY-UHFFFAOYSA-N 259.758 2.563 30 40 CFEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccncc2)cc1 4754975 CJDBJWUUXGTMRT-YVLHZVERSA-N 295.371 2.819 30 40 CFEB N#CCCCOC(=O)c1ccccc1NC(=O)c1ccco1 21976851 GEMGGLWINUYWPA-UHFFFAOYSA-N 298.298 2.992 30 40 CFEB CC(=O)N(C)c1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1 588148 FAJYFDHJENPVAG-OQLLNIDSSA-N 287.275 2.921 30 40 CFEB CNc1ccccc1C(=O)OCCOc1ccc(C#N)cc1 22987930 BBAQOTIJJAKSPL-UHFFFAOYSA-N 296.326 2.836 30 40 CFEB C/C(CC(=O)Nc1ccccn1)=N\c1ccccn1 104084330 OPUGXZLRBVHILT-GZTJUZNOSA-N 254.293 2.598 30 40 CFEB CCCCCCCC(=O)CCCC(=O)NCCCO 105415086 FQUXLHMYNDDAKN-UHFFFAOYSA-N 271.401 2.585 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)c1cnc2onc(C)c2c1 58355762 ALXOAZSTCRUFDT-UHFFFAOYSA-N 299.252 2.722 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cccs2)c1 12768632 STXPGXPOLZROAR-UHFFFAOYSA-N 263.343 2.530 30 40 CFEB COc1ccc(C/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 408905275 WLTJRBCAZWYDDW-YBEGLDIGSA-N 286.287 2.928 30 40 CFEB C#CCN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O 4675704 KKKXMBVDCOTEPP-YRNVUSSQSA-N 293.731 2.715 30 40 CFEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 4695866 JWCJLDOHUIRYIY-JYRVWZFOSA-N 288.372 2.916 30 40 CFEB CCN1CCN(c2oc(-c3ccccc3C)nc2C#N)CC1 4993639 NARZOLPYGZABJB-UHFFFAOYSA-N 296.374 2.664 30 40 CFEB N#Cc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 7045590 IQCGZHPVSUJZBB-UHFFFAOYSA-N 279.324 2.920 30 40 CFEB Cc1ccc(C)c2nc(N3CCC(O)CC3)c(C#N)cc12 35290525 XFZGOYFBBCEOER-UHFFFAOYSA-N 281.359 2.684 30 40 CFEB C=CC[C@@H]1CC[C@H](C(=O)OC)N1C(=O)OC(C)(C)C 34370831 VGDATZBYQWJPSE-GHMZBOCLSA-N 269.341 2.504 30 40 CFEB CNc1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@H]1N2 504663969 MRKJUQFZPAERTO-UKRRQHHQSA-N 276.429 2.880 30 40 CFEB CN(C)c1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@H]1N2 199291499 QEILFQOAUMHSSE-GDBMZVCRSA-N 290.456 2.904 30 40 CFEB C=CCOCc1cncc2c1CCN(C(=O)c1ccoc1)C2 96059288 BVRMJMSQFYXDSC-UHFFFAOYSA-N 298.342 2.576 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCOC1 96449587 QHIJUPDSRQDBBE-CYBMUJFWSA-N 287.363 2.745 30 40 CFEB N#CCc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 96479718 PWQFGCWBDUJYNH-UHFFFAOYSA-N 280.283 2.703 30 40 CFEB Cn1cc(/C=C2/Cc3cc(Cl)ccc3C2=O)cn1 96429867 DEZJEZTUYKKHGT-WCIBSUBMSA-N 258.708 2.896 30 40 CFEB C=CCOCc1cncc2c1CCN(C(=O)c1ccco1)C2 96059287 IQZRZNFMJPYURF-UHFFFAOYSA-N 298.342 2.576 30 40 CFEB CO[C@@H](C)c1nc(C/N=C(/N)N2CCCCCC2)cs1 252479436 BFBVAWAYDUKILV-NSHDSACASA-N 296.440 2.541 30 40 CFEB C[C@@H](C#N)CNC(=O)CC(C)(C)CC(=O)c1ccccc1 252502401 UPVJFCTWIMNFPC-ZDUSSCGKSA-N 286.375 2.952 30 40 CFEB C#CCN(C(=O)CCc1ccncc1)C1CCCCC1 69814793 NRQQTGQJIWXWGT-UHFFFAOYSA-N 270.376 2.809 30 40 CFEB N#Cc1c[nH]c(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 84350598 STAXZYVTXAAUEJ-UHFFFAOYSA-N 295.220 2.863 30 40 CFEB CC[C@H]1S/C(=N\c2cccc(C(C)=O)c2)NC1=O 6870756 ONZRBDJXJSBVOE-LLVKDONJSA-N 262.334 2.518 30 40 CFEB C=C(C)CNC(=O)NCc1ccc(Br)s1 156508052 MKYDNBFSZSUSJH-UHFFFAOYSA-N 289.198 2.886 30 40 CFEB C=CCn1c(=NC(=O)CC)n(CC=C)c2ccccc21 980127 OJNVDGVGJQJUBY-UHFFFAOYSA-N 269.348 2.652 30 40 CFEB Cc1ccc2ncn(Cc3ccc(C#N)cc3)c(=O)c2c1 40538858 GDPGPRSMMMTWRS-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB CC(/C=C/c1ccccc1Cl)=N/C(=S)NC(N)=S 104377754 SQDVUMGAGJLCFO-RRLYPUMESA-N 297.836 2.932 30 40 CFEB CCc1nnc(S)n1/N=C/C1=CC[C@@H]2C[C@@H]1C2(C)C 102418000 SHUBJSLWSGLJQH-OUFKSKKLSA-N 276.409 2.956 30 40 CFEB COc1ccc(/C=C/C(=O)/C=C(/N)C(F)(F)F)cc1 101404353 HZHGNTLLFNPLBZ-SHZZTEDNSA-N 271.238 2.682 30 40 CFEB N#Cc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 3518831 HZWVUDNUAUEUBZ-UHFFFAOYSA-N 270.317 2.539 30 40 CFEB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C#N)cc2)C1 3565473 UNSSSRNHMGEDBH-QWHCGFSZSA-N 271.364 2.617 30 40 CFEB NC(N)=Nc1nc(-c2ccc3ccccc3c2)cs1 13690338 NHFCCNASFLDVKL-UHFFFAOYSA-N 268.345 2.868 30 40 CFEB COCc1cc(C)nc(N/N=C/c2cccc(O)c2)c1C#N 113353601 XLURTZCCMKBQAD-GIJQJNRQSA-N 296.330 2.560 30 40 CFEB Cc1ncc(CO)c(/C=N/C2CCC(C)CC2)c1O 5110754 UBSJUCRUOSEERR-CAOOACKPSA-N 262.353 2.586 30 40 CFEB N#Cc1cc(N/N=C/c2ccccc2)c([N+](=O)[O-])cc1C#N 4932018 UVHSATMTYYLZAX-VCHYOVAHSA-N 291.270 2.784 30 40 CFEB C=CCNC(=O)CSCc1cc(Cl)c2c(c1)OCO2 71186034 HWOSTTKSGDYQBX-UHFFFAOYSA-N 299.779 2.604 30 40 CFEB Cc1c([C@H](NCC(=O)NCC#N)C(C)C)oc2ccccc12 96491722 HVWANANIDGRZLQ-MRXNPFEDSA-N 299.374 2.668 30 40 CFEB N#Cc1c(N)nc2c(c1-c1cccc([N+](=O)[O-])c1)CCCC2 35298562 CRZAAMOFOWJAGU-UHFFFAOYSA-N 294.314 2.989 30 40 CFEB C=CCn1nc(C)c(CCC(=O)N2CCC[C@@H](C)C2)c1C 72242985 NHEWWGRWKVMBRP-CYBMUJFWSA-N 289.423 2.877 30 40 CFEB CSc1ccc(O[C@@H](C)C(=O)N(C)[C@@H](C)CC#N)cc1 76992160 IZWGTQVICHXZID-RYUDHWBXSA-N 292.404 2.936 30 40 CFEB C=C(C)CN1CC[C@H](CN(C)Cc2scnc2C)C1 195260861 NIEBJQOMSCNBGT-CQSZACIVSA-N 279.453 2.781 30 40 CFEB CC/N=C(\NCC)NCc1ccc(F)cc1CSC 86999689 TZWFACBGUGXZID-UHFFFAOYSA-N 283.416 2.764 30 40 CFEB COc1cccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c1OC 95095957 SWJSSHNPBVAHQW-UFBFGSQYSA-N 292.253 2.723 30 40 CFEB Cc1cc(C#N)c(=O)n(CC(=O)C(C)(C)c2ccccc2)c1 585124133 MQVGPLURBFZLQZ-UHFFFAOYSA-N 294.354 2.575 30 40 CFEB COCCn1c(-c2cc(C#N)n(C)c2C)nc2ccccc21 48880477 AEOZSHQEPFZWKI-UHFFFAOYSA-N 294.358 2.868 30 40 CFEB CC(C)(C#N)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820037 TVLCCIORRYXWCI-CYBMUJFWSA-N 292.766 2.790 30 40 CFEB CCc1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 3398181 QVUDCOWXRDIZNH-UHFFFAOYSA-N 286.356 2.921 30 40 CFEB COc1ccc(F)cc1C(=O)Nc1cccc(C#N)c1 23684245 DKFZJPCNRFKRQZ-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1C#N)C2=O 7005600 SOIZEVXSILTZTP-YVEFUNNKSA-N 297.358 2.559 30 40 CFEB O=C/C(=N\Nc1ccccc1)C(=O)c1ccccc1 100438984 SVUMFQTYYCYKAT-SAPNQHFASA-N 252.273 2.536 30 40 CFEB CCOC(=O)C[C@@H](C#N)c1cn(C)c2ccccc12 2403311 ODNFBOOJZNALCL-NSHDSACASA-N 256.305 2.739 30 40 CFEB NC(=S)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 344779 HDFFZLLJRXNZMA-VIZOYTHASA-N 279.752 2.767 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nccs1 7667072 SSBDFBADQZTRBD-UHFFFAOYSA-N 298.327 2.959 30 40 CFEB Cc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1 546988 HOUMLSSTOWODNN-UHFFFAOYSA-N 289.132 2.985 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(Br)o1 42296082 GLJBUXPVSJHGCM-QMMMGPOBSA-N 285.141 2.664 30 40 CFEB COc1ccc(CCNCc2cc(C#N)n(C)c2C)cc1 23424907 QNAWXXDJGSLZSJ-UHFFFAOYSA-N 283.375 2.546 30 40 CFEB Cc1cccc(/C=C/C(=O)N2CCC(C#N)CC2)c1 61585478 DATOGYDAQOJJSM-AATRIKPKSA-N 254.333 2.770 30 40 CFEB C/C(=N/N1CCOCC1)c1ccc2ccccc2c1O 102956181 OMKXVGBWNGNUCA-ATVHPVEESA-N 270.332 2.602 30 40 CFEB C[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CCO1 106540656 XGKIAHVQTMOSNC-ZWNOBZJWSA-N 250.729 2.625 30 40 CFEB C#Cc1cccc(NCC(=O)N(C)c2ccccc2)c1 55768485 ZDQXXQHSQFKARU-UHFFFAOYSA-N 264.328 2.743 30 40 CFEB C[C@@H](Oc1ccc(/C=N/c2ccc(O)cc2)cc1)C(=O)O 408859641 OLJSPQMSGNDUIU-JDAJCMJVSA-N 285.299 2.995 30 40 CFEB C=C(Br)CNC(=O)c1sccc1CC 58268522 KAYYCIWULQDJNG-UHFFFAOYSA-N 274.183 2.949 30 40 CFEB CN(Cc1cccs1)C(=O)c1cccc(C#N)c1 3504470 HZEQEOVQQCAXQM-UHFFFAOYSA-N 256.330 2.892 30 40 CFEB CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@H]2O[C@@]2(C)CC1=O 13456672 GTHJHHZMCSHKDZ-BARDWOONSA-N 250.338 2.781 30 40 CFEB biogenic C/C(=N\n1c(C)nc2ccccc2c1=O)c1ccc(C)o1 5093064 VLUGGLBQPVBKHL-WOJGMQOQSA-N 281.315 2.879 30 40 CFEB C[C@H](C#N)CNc1ncnc2ccc(Br)cc12 72307611 CFOGHZXVWRYVER-MRVPVSSYSA-N 291.152 2.964 30 40 CFEB C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CCC1=O 95448985 ARQJBUWHEMVLMS-SWLSCSKDSA-N 284.359 2.522 30 40 CFEB Cc1ccc(C(=O)NC2(C#N)CCSCC2)s1 95440095 UIXYKTFNFGTDPL-UHFFFAOYSA-N 266.391 2.576 30 40 CFEB C[C@](C#N)(NC(=O)c1cc(F)c(F)c(F)c1)C1CC1 98009597 IKEFNVRRBKNKHC-CYBMUJFWSA-N 268.238 2.526 30 40 CFEB O=C1Nc2ccccc2/C1=C\C(=O)c1cccs1 33360486 DTQVSLRQCBCDCV-CSKARUKUSA-N 255.298 2.967 30 40 CFEB O=C1C[C@@H](c2ccccc2)N1/N=C/c1ccccc1O 71279087 MFYIYGMEJDZRFN-MPMPPSQCSA-N 266.300 2.700 30 40 CFEB C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1C[C@H](OC(C)=O)C(=C)[C@H]12 35465463 GKMFOEIZCLMZDE-NPJQDHAYSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro C[C@H](CC#N)NCc1cccc(Br)c1 42418960 LRDDANAEXYSUQZ-SECBINFHSA-N 253.143 2.841 30 40 CFEB COC(OC)[C@](C)(C#N)OC(=O)Nc1ccc(Cl)cc1 255187754 GNSAVRLROWWTHZ-ZDUSSCGKSA-N 298.726 2.790 30 40 CFEB N#Cc1cccc(OCC[n+]2ccc3c(c2)CCCC3)c1 55061875 KOHGJPHXWAXKNP-UHFFFAOYSA-N 279.363 2.804 30 40 CFEB C=CCCC(=O)NC[C@H](c1ccco1)n1nc(C)cc1C 585367674 JTPILGSNXVLNPI-CQSZACIVSA-N 287.363 2.765 30 40 CFEB Cc1nnc(S)n1/N=C/c1cccc(Br)c1 5410207 NGORZUUPEADFCY-WUXMJOGZSA-N 297.181 2.520 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1sccc1C#N 3618310 CJEMZRRKVOLBLP-UHFFFAOYSA-N 283.312 2.509 30 40 CFEB CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(C#N)cn2C)C1 81155371 XTKPEEXRTKWKAH-KBPBESRZSA-N 273.380 2.841 30 40 CFEB C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1cccc(C#N)c1 7937908 ISKGVPIPDYYUFK-QWHCGFSZSA-N 298.342 2.785 30 40 CFEB N#CCSc1ccccc1C(=O)NC1CCCC1 21706883 GNTWVWXLNDVEAN-UHFFFAOYSA-N 260.362 2.975 30 40 CFEB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccccc2C#N)C1 103331093 ATWWHHIJLCZMES-HZSPNIEDSA-N 285.391 2.863 30 40 CFEB CCCCCCCSCCOCCOCCO 100076638 VGUGZDXMCFKWEE-UHFFFAOYSA-N 264.431 2.716 30 40 CFEB Cc1ccc2c(c1)/C(=N\NC(=S)NC(C)C)CCCO2 56696514 BEMVYEYDCPZUCQ-LGMDPLHJSA-N 291.420 2.744 30 40 CFEB N#CCCCOc1cccc(NC(=O)NC2CC2)c1 47734999 JHFRSHPGIWWCKN-UHFFFAOYSA-N 259.309 2.653 30 40 CFEB CS[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 48461312 KTWPVUINVWMREW-YFKPBYRVSA-N 299.826 2.798 30 40 CFEB N#Cc1ccc(Sc2nnc(N3CCCC3)s2)nc1 48894019 DQUYKHQYAHVOSC-UHFFFAOYSA-N 289.389 2.556 30 40 CFEB Cc1nc(C#N)c(N/N=C/c2cccc(Cl)c2)o1 4276513 BKMIVZMYNWQCHX-VIZOYTHASA-N 260.684 2.954 30 40 CFEB CCc1c(C(=O)N[C@@H](C#N)CC(C)C)[nH]c(C)c1C(C)=O 69632990 AHOZHURAFXFZEX-GFCCVEGCSA-N 289.379 2.756 30 40 CFEB CCn1ncc2c1CCC[C@H]2NCc1cc(C#N)n(C)c1C 72298456 CSXZLEMXTGFZNG-MRXNPFEDSA-N 297.406 2.589 30 40 CFEB CC1(C)CCCN1C(=O)c1c(F)cc(C#N)cc1F 97100980 MGIVRBRMXUNMTL-UHFFFAOYSA-N 264.275 2.851 30 40 CFEB N#CC1(NC(=O)c2csc(-c3ccoc3)n2)CCCC1 78712821 LBUQOPHZRQZTRB-UHFFFAOYSA-N 287.344 2.969 30 40 CFEB C=CCCC(=O)NC[C@H](C)Oc1cccc(F)c1 78877742 RZJCKDKCJNFSFF-NSHDSACASA-N 251.301 2.675 30 40 CFEB COc1ccccc1[C@H](C#N)NC(=O)C1CCCCC1 49866268 URBWUXLOIGXMLB-AWEZNQCLSA-N 272.348 2.956 30 40 CFEB CC[C@H](C#N)NC(=O)CCCOc1ccccc1Cl 69632953 DYLOMDAQCKXSGX-LLVKDONJSA-N 280.755 2.917 30 40 CFEB C[C@@H](C[S@](C)=O)Nc1ccc(C(F)(F)F)c(C#N)c1 97379232 VZABTSGFVBTMNM-WPCRTTGESA-N 290.310 2.756 30 40 CFEB CCOC(=O)c1ccc(NC(=O)O/N=C(\C)Cl)cc1 97956078 QNQRLCBGFLVRLN-OVCLIPMQSA-N 284.699 2.984 30 40 CFEB C/C(=N\NC(=S)NCCc1ccccc1)c1ccccn1 5868295 FXUCEMBJWUSEDC-CPNJWEJPSA-N 298.415 2.512 30 40 CFEB N#Cc1c(Cl)nsc1NC[C@@H]1CCCCO1 49057454 KFRSHVRGNRJTMT-ZETCQYMHSA-N 257.746 2.649 30 40 CFEB Cc1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)no1 46086170 ZMSJERYYHGKGDP-UHFFFAOYSA-N 296.374 2.567 30 40 CFEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C 4800639 XQTZKMXYGXHZMD-SDNWHVSQSA-N 268.382 2.695 30 40 CFEB C[C@H](NCC#Cc1ccccc1)[C@H](O)c1ccccc1 22213583 GCQXUEHPSYDAAL-YJBOKZPZSA-N 265.356 2.750 30 40 CFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CC(C)C)c1 103503993 UFZJWNSVNRNIAA-ZDUSSCGKSA-N 258.321 2.689 30 40 CFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC1 47617040 RCHGFWBJXTUIAS-UHFFFAOYSA-N 282.265 2.519 30 40 CFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(C(=O)O)cc1 3277210 NGLWDGMNSPZYCD-ATARQRRYSA-N 260.337 2.982 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)c1cccs1 58244531 FPXYQPIOVXNSTN-UHFFFAOYSA-N 256.330 2.914 30 40 CFEB CCn1cc(C(=O)/C=C/c2cccc3c2OCCO3)cn1 58244655 RQBLFQWEHCLDMV-VOTSOKGWSA-N 284.315 2.570 30 40 CFEB CCC[C@H](C)N(C)CC(=O)NC1(C#N)CCCCCC1 48070810 JXHFPJHLNPLTOC-AWEZNQCLSA-N 279.428 2.840 30 40 CFEB C=C(C)Cc1c(C)nc(SCC(C)C)[nH]c1=O 8169746 LHBBQJAFWTWTOT-UHFFFAOYSA-N 252.383 2.945 30 40 CFEB N#Cc1c2c(c(=O)n(-c3ccc(Cl)cc3)c1N)CCCC2 6759667 SNJQSJVDANHZCG-UHFFFAOYSA-N 299.761 2.824 30 40 CFEB C=CCNC(=S)NCC12CC3CC(CC(C3)C1)C2 7638387 UIVMRSJTEKQLFI-UHFFFAOYSA-N 264.438 2.853 30 40 CFEB N#CCSc1nc(COc2ccc(Cl)cc2)n[nH]1 8778192 BWZVUXOAIXACRO-UHFFFAOYSA-N 280.740 2.653 30 40 CFEB C=CC[C@@H]1S/C(=N\N=C/c2ccccc2Cl)NC1=O 19791770 HKNRHFLCEZOVKL-LWHXSLQUSA-N 293.779 2.838 30 40 CFEB CC(C)Cc1noc(CN(C)Cc2ccc(C#N)cc2)n1 97674828 WBHZIONCWBEDRS-UHFFFAOYSA-N 284.363 2.772 30 40 CFEB N#CC1(NC(=O)c2ccc(F)cc2Cl)CCSCC1 95975160 GDZYDNJCIKNVCH-UHFFFAOYSA-N 298.770 2.998 30 40 CFEB C=C[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1 187528579 VLGIRSAVVBMONM-LBPRGKRZSA-N 273.332 2.540 30 40 CFEB C[C@]1(O)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 185654487 BBDCZCPVFZTRMU-ZDUSSCGKSA-N 284.281 2.928 30 40 CFEB CC1(C)C[C@@H](NCCC#N)C[C@](C)(CNCCC#N)C1 33611227 HEUAYLFWKXGPEA-ZBFHGGJFSA-N 276.428 2.578 30 40 CFEB C=C(Br)CN(CCC#N)Cc1ccccn1 96455340 SHYPLCGROXFEFH-UHFFFAOYSA-N 280.169 2.706 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)NC(=S)N2 2601610 CXRXITOMQXPUSE-CYBMUJFWSA-N 292.791 2.866 30 40 CFEB CC[C@@](C)(Sc1nc(C)ccc1C#N)C(=O)O 12418558 BECXSNPGKJSMPZ-GFCCVEGCSA-N 250.323 2.607 30 40 CFEB C=CCCC(=O)N1CCC[C@H](COc2cccc(C)n2)C1 1775969289 IYXBETLZHDPZOV-HNNXBMFYSA-N 288.391 2.974 30 40 CFEB NC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 372044 OYEQJQNRMFKNDG-VIZOYTHASA-N 279.752 2.767 30 40 CFEB N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1 408751 JDCBDIVEQMLPBZ-UHFFFAOYSA-N 257.268 2.953 30 40 CFEB C=CCNC(=O)[C@H](C)Sc1ncccc1Cl 48455895 ARBXINFRVYJVAM-QMMMGPOBSA-N 256.758 2.518 30 40 CFEB C=C1c2ccc3c(c2CC[C@H]1O)C(=O)C(=O)c1c(C)coc1-3 6072091 RUJKJFRMCYQMLH-CYBMUJFWSA-N 294.306 2.954 30 40 CFEB biogenic C[C@H]1OCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 90180673 OKASKZQYNHCLTG-BXUZGUMPSA-N 283.293 2.824 30 40 CFEB CC1(C)C[C@@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc2O1 89917944 KXWPLOAUTVNIDT-CQSZACIVSA-N 295.342 2.919 30 40 CFEB CN(CCCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 78947958 ZQAJPAGZFGCPBC-KRWDZBQOSA-N 271.408 2.744 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1F 33958694 PUBVAQLWKSGNCP-OVCLIPMQSA-N 260.228 2.575 30 40 CFEB O=c1[nH]nc(-c2ccccc2)n1/N=C\c1ccccc1Cl 31872739 ZLNCGJPMHDQXFM-YVLHZVERSA-N 298.733 2.774 30 40 CFEB C=CCOC(=O)c1ccc(OC)c(-n2cccc2)c1 226244724 JCPSRESJXOHTGJ-UHFFFAOYSA-N 257.289 2.829 30 40 CFEB CCCn1nc(OCc2ccc(C)c(C)c2)c(C#N)c1N 225830929 DZVHRTFXYMAJEA-UHFFFAOYSA-N 284.363 2.943 30 40 CFEB N#Cc1ccc(C(=O)Nc2cccnc2Cl)c(F)c1 57313546 UTSSYAVESMKCTO-UHFFFAOYSA-N 275.670 2.998 30 40 CFEB CC1CCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])CC1 4081542 HPPIBYQYJPIYMW-UHFFFAOYSA-N 270.292 2.574 30 40 CFEB CC(C)[C@@H]1CC[C@@H](C)[C@H](C(C#N)(C#N)C(C#N)C#N)C1=O 1436647 RXUGENCIFOVTBC-XBFCOCLRSA-N 282.347 2.571 30 40 CFEB CO[C@@H]1C[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 4280501 YEYBRTMMOJKDHE-MYPMTAMASA-N 296.388 2.514 30 40 CFEB CCOc1ccc(C(=O)N[C@@](C)(C#N)C2CC2)cc1OC 32736007 IQARAOYOFBZLAP-INIZCTEOSA-N 288.347 2.516 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc(O)cc2)cc1 3348318 ULWHYOBROVJRQH-UHFFFAOYSA-N 253.257 2.621 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCO2)cc1 48422882 AAVJRESEDNGHAD-LBPRGKRZSA-N 297.376 2.599 30 40 CFEB CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N/O 13571608 FRUNDRHYSPHBNH-ACCUITESSA-N 252.270 2.850 30 40 CFEB C#CCNC(=O)/C=C/c1csc(-c2ccc(OC)cc2)n1 16233321 QKGVONNQVYDBAM-RMKNXTFCSA-N 298.367 2.581 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccccn1 6673778 PYSJQHWNMDRRSW-MHWRWJLKSA-N 255.277 2.616 30 40 CFEB N#Cc1cccc(OCCCOc2cccnc2[N+](=O)[O-])c1 95418396 QTOMTZDADGCICK-UHFFFAOYSA-N 299.286 2.709 30 40 CFEB C#CCOc1c(C=O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225277183 HURDAGKBQFIGDS-UHFFFAOYSA-N 261.277 2.717 30 40 CFEB CCCCN1C(=O)/C(=N\O)c2cc(Cl)ccc21 46085195 JDEVHNNBCPJERY-KAMYIIQDSA-N 252.701 2.665 30 40 CFEB C[C@@H](C#N)OCCC(F)(F)C(F)(F)Br 1083811043 PQRJOXRCMCLUDM-YFKPBYRVSA-N 278.043 2.928 30 40 CFEB C#C[C@@]1(O)C[C@@H]2c3ccc(OC)cc3CC[C@]2(C)C1 5410494 RGMQGPYAYKKFCZ-BRWVUGGUSA-N 256.345 2.889 30 40 CFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 5670983 JCCOXKPIQMFHEO-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB O=[N+]([O-])c1ccc(/C=C\C(CCN2CCCCC2)=N/O)o1 5766224 MDPQIDUNVIMHMS-XXUPZHKPSA-N 293.323 2.907 30 40 CFEB CC(=O)O/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 188742 JOFNMGXZBXICLZ-RIYZIHGNSA-N 274.232 2.752 30 40 CFEB C=C(C)COC(=O)Nc1cccc(OC(=O)NC)c1 1756462 VPELNFZKOBFPCT-UHFFFAOYSA-N 264.281 2.529 30 40 CFEB C=CCNC(=O)Nc1cc(OC)ccc1Br 69535045 FBOLZOOMCOFBNU-UHFFFAOYSA-N 285.141 2.765 30 40 CFEB C#Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 102378327 IPTKRYLWHKAHBM-HNNXBMFYSA-N 290.322 2.732 30 40 CFEB COc1ccc(C(/N=N\c2ccccc2)=N\NC(=N)N)cc1 104094969 YTWUCLFZDNCRBH-FUIUCUFZSA-N 296.334 2.624 30 40 CFEB CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cccc(C)c1O2 100489891 KFVXIXNQZMQPIK-HNNXBMFYSA-N 273.288 2.788 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1 41636982 UJOBOGBVNHVCCU-UHFFFAOYSA-N 253.276 2.988 30 40 CFEB CC/C(=N\NS(=O)(=O)c1ccccc1)c1cccs1 44060271 POHAHONBGGAFDX-WYMLVPIESA-N 294.401 2.841 30 40 CFEB C=CCOc1ccccc1N/N=C(\Cl)C(=O)OCC 104208485 YOKPTZVBIVLOOO-VBKFSLOCSA-N 282.727 2.779 30 40 CFEB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)CCC#N 69602069 CKPRTSXDCOHYPD-UHFFFAOYSA-N 273.311 2.530 30 40 CFEB CCN(CC)CCOc1ccc(/C(C)=N/O)cc1 4748841 AOQGEVJQKKBQQP-NTCAYCPXSA-N 250.342 2.605 30 40 CFEB Oc1ccccc1/C=N\Nc1nc2ccccc2o1 16672847 VEWGEYARSOOEBT-DHDCSXOGSA-N 253.261 2.979 30 40 CFEB N#Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 9856103 PQJHXQHTPFRAMA-UHFFFAOYSA-N 281.271 2.648 30 40 CFEB N#Cc1ccc(COC(=O)c2cccc3c2OCCN3)cc1 95444005 FNMBAXKOUUZJDC-UHFFFAOYSA-N 294.310 2.720 30 40 CFEB CN(C)N=Cc1cccc(OC(=O)c2ccccc2F)c1 408953749 MMZYEROJWZTAAA-UHFFFAOYSA-N 286.306 2.940 30 40 CFEB CCOc1cccc(/C=N/c2ccc(C(N)=O)cc2)c1O 44835994 LBUUVXKPXMZDHM-VCHYOVAHSA-N 284.315 2.640 30 40 CFEB FC(F)(F)C(F)(CCOC[C@H]1CO1)C(F)(F)F 1083807032 SDUUNLMLPAETLJ-YFKPBYRVSA-N 270.144 2.625 30 40 CFEB CCc1nc([C@@H](C#N)C(=O)C[C@H]2CCCO2)sc1C 48763838 SUDDPTCZKINPDC-MNOVXSKESA-N 278.377 2.759 30 40 CFEB OCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 79883150 IOOVIIUXHLMNFE-UHFFFAOYSA-N 250.060 2.652 30 40 CFEB CC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1C(F)(F)F 13110363 PYBLXIRNSRLGFA-SQVFTCCMSA-N 274.242 2.873 30 40 CFEB Cc1ccc(N/N=C2/C(=O)Nc3ccccc32)cc1 5339508 DMWFDNCPBIOMTO-UHFFFAOYSA-N 251.289 2.763 30 40 CFEB N#Cc1ccc(OCCOc2ccc3c(c2)OCO3)cc1 14738302 UHENLDBIAIDEIS-UHFFFAOYSA-N 283.283 2.745 30 40 CFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1 18180827 AQWGLGSPKJXOGA-OAHLLOKOSA-N 294.358 2.936 30 40 CFEB O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)c2ccccc21 33134 WGJMCYKEGRDHCY-UHFFFAOYSA-N 269.212 2.650 30 40 CFEB C#CCOc1ccc(C(=S)N2CCCC2)cc1OCC 6844828 ZQGBOWOYJZDPBA-UHFFFAOYSA-N 289.400 2.869 30 40 CFEB O=[N+]([O-])C(/C=N/Nc1ccccc1)/C=N/Nc1ccccc1 102954117 IKQYBSBIBFKSHM-MAEUFBSDSA-N 297.318 2.828 30 40 CFEB Cc1cc(C#N)cc(C)c1I 71260829 XDEZDJRLICNWND-UHFFFAOYSA-N 257.074 2.780 30 40 CFEB Cc1nc(C)c(C#N)c(SC[C@H]2CCCCO2)n1 22765514 QHJZLXKPUZXMJC-LLVKDONJSA-N 263.366 2.626 30 40 CFEB O[C@@H](/C=N\c1ccccc1)[C@H](O)/C=N\c1ccccc1 104093010 GCTDLJKMIDVREX-DSIHHBRCSA-N 268.316 2.513 30 40 CFEB CN(C)c1ccc(CNc2ncccc2C#N)cc1 12533351 NNHWZUXCPPYTOA-UHFFFAOYSA-N 252.321 2.631 30 40 CFEB C=C(C)CN(CC)Cn1nnn(-c2ccccc2)c1=S 3318289 FIVPFALRZOWXNH-UHFFFAOYSA-N 289.408 2.654 30 40 CFEB N#CCOc1cccc(NC(=O)NC2CCCC2)c1 48488691 GGMIMAUOXYSCHD-UHFFFAOYSA-N 259.309 2.653 30 40 CFEB Cc1ccccc1-n1ncc(C(=O)NC2(C#N)CCC2)c1C 63476895 YWIBIXIUKIBDRM-UHFFFAOYSA-N 294.358 2.665 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 7974238 GCOASQZXRNSSMU-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB C=CCNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 71803095 DQZABFILIJNXNA-ZDUSSCGKSA-N 280.755 2.609 30 40 CFEB C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H](C)O1 97145413 ZVCWZUKPBDDIJA-NXEZZACHSA-N 275.308 2.834 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1O 72311415 NIGHYPDSMXHSJE-QMMMGPOBSA-N 289.253 2.941 30 40 CFEB CCN(CC)CC#C[C@H](C)OC(=O)c1ccncc1Cl 95429431 YEXHDFCTGWPXDW-LBPRGKRZSA-N 294.782 2.626 30 40 CFEB CCCCCCCNC(=O)CCC(=O)NCc1ccco1 98045136 STJPNUTWRNOXNC-UHFFFAOYSA-N 294.395 2.763 30 40 CFEB Cc1ccsc1CN(C)c1nnc(C)c(C)c1C#N 44712124 IBVHFVMXWNPOBR-UHFFFAOYSA-N 272.377 2.971 30 40 CFEB COc1cc(/C=N/N2CCCCCC2)cc(OC)c1OC 2170369 GIQZMNASFWJAFV-SFQUDFHCSA-N 292.379 2.922 30 40 CFEB N#C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 258537793 NCHVAHMCEGHKKP-STQMWFEESA-N 262.284 2.507 30 40 CFEB Cc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1 2601607 CANZUVXXBXWVHC-AWEZNQCLSA-N 272.373 2.521 30 40 CFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccccc2)cc1 104119255 HRJGHHRFUCPXRA-DPEHCCBOSA-N 293.322 2.704 30 40 CFEB C=CCNc1nc(C(=O)OCc2c(C)noc2C)cs1 7786695 FFJLMCKKEWPISE-UHFFFAOYSA-N 293.348 2.703 30 40 CFEB CCCCCCCCCC(=O)NCC[N+](C)(C)C 1714951 LGRNADHIDSOKFJ-UHFFFAOYSA-O 257.442 2.950 30 40 CFEB Cc1ccsc1/C=N/N1CCN(c2ccccn2)CC1 100575675 SQKDNYFKHLGFCS-SFQUDFHCSA-N 286.404 2.608 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@H]2O[C@]2(C#Cc2ccccc2)C1 100256957 WEKDGBQFSYUYEI-CRAIPNDOSA-N 299.370 2.817 30 40 CFEB C[C@H](C#N)OC(=O)c1csc(NCc2ccccc2)n1 22884080 DOQILGDIGBLWOL-SNVBAGLBSA-N 287.344 2.824 30 40 CFEB C=CCn1c(C)c(CC)c(=O)n2c3ccccc3nc12 12323814 VVPHYBYQORQRKY-UHFFFAOYSA-N 267.332 2.706 30 40 CFEB O[C@@H](/C=N\c1ccccc1)[C@H](O)/C=N/c1ccccc1 104093017 GCTDLJKMIDVREX-LIZACNHBSA-N 268.316 2.513 30 40 CFEB O=C1N/C(=N\c2cccc(O)c2)S/C1=C\c1cccnc1 1447254 ZFWDNNOTLQJZBP-QPEQYQDCSA-N 297.339 2.679 30 40 CFEB N#Cc1cccnc1N1CC[C@H](Nc2ccccc2)C1 58343092 CSXGZARZPSMPED-HNNXBMFYSA-N 264.332 2.644 30 40 CFEB CCCC[C@@H]1S/C(=N/N=C/c2cccs2)NC1=O 4567303 JILUSASYHYQUNC-XNFYSYIQSA-N 281.406 2.860 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(C#N)c1 7652162 MYUARQKRSLCAOC-WFASDCNBSA-N 272.348 2.632 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2cccc2)c(F)c1 75583889 UBFOZZDLNFSCRK-LBPRGKRZSA-N 285.322 2.991 30 40 CFEB C#CCCCOC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 76016875 MJQZMONKNKIKIZ-SFHVURJKSA-N 299.370 2.638 30 40 CFEB N#Cc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 88421652 SJBKFEIZJGFHED-UHFFFAOYSA-N 282.265 2.973 30 40 CFEB COc1cccc(NC(=S)N/N=C2/C[C@@H]3CC=C[C@@H]23)c1 38391315 CPPNGVBQVFPWGG-OOLFPRLQSA-N 287.388 2.934 30 40 CFEB N#Cc1c(C[N+](=O)[O-])cccc1OCc1ccccc1 95869774 RVDAKDFRXOPWBH-UHFFFAOYSA-N 268.272 2.914 30 40 CFEB CN(C)C(=NCCCc1ccc(Cl)s1)N(C)C 252502120 UMTRFHQSLOHMOS-UHFFFAOYSA-N 273.833 2.813 30 40 CFEB CC1(C)OB(c2cc(F)c3[nH]ccc3c2)OC1(C)C 196661741 UYRCCVKIZZPVAY-UHFFFAOYSA-N 261.105 2.606 30 40 CFEB Cc1cccc(NC(=O)COc2ccc(C#N)cc2)c1 3598391 NOYXMDPTMKHWGR-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB COC(=O)[C@H]1CC/C(=N\c2cccc(C(F)(F)F)c2)N1 5722903 FDRVXGAZLWKMBV-SNVBAGLBSA-N 286.253 2.660 30 40 CFEB N#Cc1ccccc1NC(=O)c1cccnc1Cl 14258347 WQYUOTKSLUDSDO-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB Cc1cc(CN2CCC[C@@H]2c2ccc(O)nn2)ccc1C#N 528785255 BLJZXOHTLQDGOR-MRXNPFEDSA-N 294.358 2.699 30 40 CFEB COc1ccc2cc(C(=O)O[C@H](C)C#N)c(C)nc2c1 10726034 ONLFUROOZPKJAH-SECBINFHSA-N 270.288 2.621 30 40 CFEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1 30284436 ZUUQXTLLOGISHM-INIZCTEOSA-N 271.364 2.524 30 40 CFEB CN(C)c1ccnc(Oc2ccc(F)cc2)c1C#N 20218585 YZSZEUNYYYYRAT-UHFFFAOYSA-N 257.268 2.951 30 40 CFEB C[C@H]1CCCc2sc(NC(=O)CCC(=O)O)c(C#N)c21 188230 JSJJIXRTUMQSJY-QMMMGPOBSA-N 292.360 2.863 30 40 CFEB COc1ccc(OCC(=O)Nc2ccccc2C#N)cc1 580780 SWRGKNZJHDKBAY-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C 552575 YIPUYQIVDMRTNR-UHFFFAOYSA-N 277.393 2.738 30 40 CFEB COc1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1OC 540110 CTCRYRRXMUBBAF-UHFFFAOYSA-N 299.330 2.831 30 40 CFEB C#CCNC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C 89941475 HFISBVQWMSXAQT-CYBMUJFWSA-N 294.354 2.594 30 40 CFEB C[C@H](Nc1ncccc1C#N)c1ccc(-n2cncn2)cc1 23732836 ZSXHMAPNRSGBIO-LBPRGKRZSA-N 290.330 2.707 30 40 CFEB C#CCNCc1ccc(OC)c(OCc2ccccc2)c1 36391804 RCVLUKAUQHQPJV-UHFFFAOYSA-N 281.355 2.997 30 40 CFEB Cc1ccc(CN(C)C(=O)c2cccc(C#N)c2)o1 12984524 ZAOXGVMTIKWBJW-UHFFFAOYSA-N 254.289 2.732 30 40 CFEB CC1CCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 3538743 YSDKLPCISPJODJ-ZDUSSCGKSA-N 271.364 2.617 30 40 CFEB CCOc1ccc(Cl)cc1/C=N/c1nnc[nH]1 4510452 VXGNYPRBFXFBKT-AWNIVKPZSA-N 250.689 2.607 30 40 CFEB Cc1csc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 7196017 ARFJHSWHNLUCHC-MFKMUULPSA-N 297.449 2.987 30 40 CFEB COc1ccccc1CN/N=C(\C)c1ccc(O)cc1O 20762348 FJJADWQLKNOEQP-WOJGMQOQSA-N 286.331 2.620 30 40 CFEB CS[C@H]1CCC[C@H]1N(C)Cc1ccc(C#N)o1 93869557 JZUDRBBKHZWUQT-OLZOCXBDSA-N 250.367 2.867 30 40 CFEB N#CCCCS(=O)(=O)Cc1ccc(C(F)F)cc1 190949672 NGFUCKUZWDXEMP-UHFFFAOYSA-N 273.304 2.843 30 40 CFEB C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1O 95944366 NFRPMXFSGDXSSN-ZANVPECISA-N 284.281 2.784 30 40 CFEB C/C(=N\[N+](C)(C)C)c1ccc(Br)cc1 5124559 YNGAEOAYJKRLDK-UKTHLTGXSA-N 256.167 2.879 30 40 CFEB N#CCN(CC#N)C(=O)Nc1cccc2ccccc12 16544912 TVUJTYDESLNGNL-UHFFFAOYSA-N 264.288 2.721 30 40 CFEB C=CCN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 1694383 PXEQOBXIAQEZNQ-KRWDZBQOSA-N 265.312 2.522 30 40 CFEB COc1cc(C#N)ccc1OCc1nnc(C(C)(C)C)o1 31839443 KXEIIEMVLBTQJB-UHFFFAOYSA-N 287.319 2.826 30 40 CFEB N#C[C@H]1Oc2ccccc2N1C(=O)c1ccccc1 1590627 GOTQFYLVYYDYTO-CQSZACIVSA-N 250.257 2.575 30 40 CFEB COC(=O)c1ccc(-n2c(C)cc(/C=N/N(C)C)c2C)cc1 3208008 UPBGXLAPLWMEOW-WOJGMQOQSA-N 299.374 2.776 30 40 CFEB CCc1nc(C#N)c(NC[C@H](c2cccs2)N(C)C)o1 27793383 VQMVNYARWSDAJY-LLVKDONJSA-N 290.392 2.885 30 40 CFEB N#CCCCOc1ccc(Br)cc1C=O 20302612 KKSWUPDUJZDOFR-UHFFFAOYSA-N 268.110 2.944 30 40 CFEB CCN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 409063346 ADTDBQOVJOVEIS-YRNVUSSQSA-N 258.302 2.614 30 40 CFEB CCOC(=O)c1nnsc1/N=C/Nc1ccc(C)cc1 4476527 NXUPPPOPPGKNCR-UHFFFAOYSA-N 290.348 2.795 30 40 CFEB Cc1cnn(C[C@@H]2CCCN2c2cccc(F)c2C#N)c1 70005563 RCJJQVQEFWTWCF-ZDUSSCGKSA-N 284.338 2.871 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CCc2ccccc2C1 4846996 KFFZSVNNNYTGIJ-UHFFFAOYSA-N 292.338 2.522 30 40 CFEB CCc1nn(-c2nc3ccc(OC)cc3s2)c(N)c1C#N 8715109 DLFVUDKNANZMRQ-UHFFFAOYSA-N 299.359 2.507 30 40 CFEB CN(C)C(=NCCCc1c[nH]c2ccccc12)N(C)C 97012213 FZDXPZHSSFVLQT-UHFFFAOYSA-N 272.396 2.580 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)CS/C(N)=N/C(C)(C)C 95947636 IUAIFFBDLUCICU-QWRGUYRKSA-N 285.457 2.622 30 40 CFEB C=CCN(C)C(=O)NC[C@H](C)c1ccc(F)c(F)c1 195570681 YDPQUEQFRSUSTI-JTQLQIEISA-N 268.307 2.896 30 40 CFEB N#CC1(C(=O)c2cccc(Br)c2)CCOCC1 85395696 QBTFHHWZGBOCRK-UHFFFAOYSA-N 294.148 2.952 30 40 CFEB CSC[C@@](C)(O)CNc1ccc(C#N)c(Cl)c1 96453692 GFCXLQTUTKQWRX-LBPRGKRZSA-N 270.785 2.738 30 40 CFEB CN/C(=N/Cc1cccc(OC2CCCC2)c1)NC1CC1 97212299 VJGLNJWEVZENBK-UHFFFAOYSA-N 287.407 2.835 30 40 CFEB C=CCn1c(N2CCC(C(=O)O)CC2)nc2ccccc21 13566720 XYQNWELNOQJVBD-UHFFFAOYSA-N 285.347 2.523 30 40 CFEB C=CCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2 19016084 QEAJOUIYQRFXSG-UHFFFAOYSA-N 299.374 2.677 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](COc3cnccn3)C2)cc1 2298060313 DLIZPBSJNRZWPE-OAHLLOKOSA-N 294.358 2.644 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1 103754050 FFYGNBDHVBKMBT-CQSZACIVSA-N 290.407 2.950 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccn(-c3ccccc3)n2)c1 24865471 LZAVSTGXPZJPRV-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB CC(=O)Oc1ccccc1C(=O)Nc1ccc(C#N)cc1 3154502 OSSQKGGPCTVDPL-UHFFFAOYSA-N 280.283 2.736 30 40 CFEB C#CCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 12539532 UKQJGFHGIHSZTN-UHFFFAOYSA-N 293.326 2.535 30 40 CFEB CNC(=O)c1cccc(CNc2cccc(F)c2C#N)c1 26729302 VQGYQQDHLSNQPG-UHFFFAOYSA-N 283.306 2.669 30 40 CFEB COCc1cc(C)n(Cc2ccc(C)cc2)c(=O)c1C#N 408606265 PNWMAGKUFKXIKZ-UHFFFAOYSA-N 282.343 2.532 30 40 CFEB CS(=O)(=O)/N=C(\O)C1(c2ccc(F)cc2)CCCC1 48478761 GNDQYJIUDHPCDZ-UHFFFAOYSA-N 285.340 2.554 30 40 CFEB CCNC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 14137183 AXOPVHJKKSRBCL-UHFFFAOYSA-N 293.326 2.560 30 40 CFEB C=CC[C@H]1S/C(=N/N=C/c2ccccc2Cl)NC1=O 5613154 HKNRHFLCEZOVKL-OXFWXOROSA-N 293.779 2.838 30 40 CFEB Cc1cc(C)c2nc(N3CCC(O)CC3)c(C#N)cc2c1 35289082 XOEILGOLYQEYOZ-UHFFFAOYSA-N 281.359 2.684 30 40 CFEB N#Cc1ccc(OCCN2CCC[C@H](c3ncc[nH]3)C2)cc1 80958914 KQUOUOOEDKCRLS-HNNXBMFYSA-N 296.374 2.540 30 40 CFEB C=C[C@](C)(O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 28539494 BGUYVWYUIXKRDO-CSPHYMHISA-N 256.386 2.562 30 40 CFEB biogenic,in-vitro O=C(O)/C(=N\OCc1ccccc1)c1ccccc1 16969552 GYJYAFJFRHNIBI-PEZBUJJGSA-N 255.273 2.692 30 40 CFEB C[C@H]1C/C(=N/Oc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C 5358107 YLUPTEYKJCDJHX-XWXLAHMZSA-N 277.324 2.690 30 40 CFEB O=C(O)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 94562 OKGVQSBODARQNC-LZYBPNLTSA-N 269.256 2.864 30 40 CFEB N#Cc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 127120 ZTKKBWYYGGKSDS-UHFFFAOYSA-N 278.233 2.787 30 40 CFEB CCCCCCCCn1c(C)nc2c(cnn2C)c1=O 1580096 YRSXGBGWSLGSFM-UHFFFAOYSA-N 276.384 2.799 30 40 CFEB N#Cc1cc(F)ccc1N1CCC(N2CCCC2)CC1 89768453 LVDZIJCJXPWYJH-UHFFFAOYSA-N 273.355 2.762 30 40 CFEB Oc1ccc(/C=N/NCc2ccccc2Cl)cc1O 8811509 ZBZSHIZJCWMKNI-LZYBPNLTSA-N 276.723 2.875 30 40 CFEB CCn1ncc(/C=C(\C(=O)c2ccccc2)[N+](=O)[O-])c1C 6490019 YPDOEJTWQUEYHN-NTEUORMPSA-N 285.303 2.712 30 40 CFEB CCCC[C@@H]1S/C(=N\N=C2CCCC2)NC1=O 27300666 IKRNADMYQKKFMF-JTQLQIEISA-N 253.371 2.694 30 40 CFEB CN(C)/C=N/c1ncc2c([nH]c3ccccc32)c1C#N 18101533 KUPSOXXZCYNFRY-GIJQJNRQSA-N 263.304 2.809 30 40 CFEB CN(C(=O)c1ccccc1OCC1CC1)C1(C#N)CCC1 96005831 UOEILAZZKLGRJB-UHFFFAOYSA-N 284.359 2.994 30 40 CFEB Cn1ncc2c1CC/C(=C\c1cc(C#N)cs1)C2=O 84310349 SMIKGHXPWKSGTP-BJMVGYQFSA-N 269.329 2.566 30 40 CFEB CC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C)c(N(C)C)c1 84721319 LPPLWSWAELCUIN-SNVBAGLBSA-N 298.408 2.752 30 40 CFEB COC(=O)c1ccc(Cn2cc(C(C)C)cc2C#N)o1 78404776 GNNPFTIYAAEFHB-UHFFFAOYSA-N 272.304 2.911 30 40 CFEB Cc1cc([N+](=O)[O-])c(CC#N)cc1Br 199554593 XGDPNPODCAEGQC-UHFFFAOYSA-N 255.071 2.732 30 40 CFEB Cc1ccc(CN2CCCN(c3ncccc3C#N)CC2)o1 96489673 PNFPXNSQYNZVQF-UHFFFAOYSA-N 296.374 2.567 30 40 CFEB C[C@@H](COc1ccccc1)Nc1ccc(C#N)cn1 58194244 REDLSHGXQCVOQK-LBPRGKRZSA-N 253.305 2.833 30 40 CFEB C=C(C)CN(C)CC(=O)Nc1ccc(F)cc1Cl 95994247 MWOLPMKXYUGEGH-UHFFFAOYSA-N 270.735 2.926 30 40 CFEB CCC[C@@H]1C(=O)C[C@H](C(C)C)C(C#N)(C#N)C1(C#N)C#N 127640 GOOSRBXROIWFPI-CHWSQXEVSA-N 282.347 2.715 30 40 CFEB COc1cccc(C(=O)/C=C/c2cn(C)nc2C)c1 6527180 PHUOKZZOQDSJEU-BQYQJAHWSA-N 256.305 2.633 30 40 CFEB Cc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)s1 3261315 HUTIQFNMDMVQLK-CXUHLZMHSA-N 283.356 2.957 30 40 CFEB N#Cc1ccc(NCc2ccc(-n3cccn3)nc2)c(F)c1 58305068 AMRHXLPQODXHPW-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB N#CCN(C(=O)c1ccc(Cl)cc1F)C1CC1 58323523 VQVUGPADAJWNBE-UHFFFAOYSA-N 252.676 2.607 30 40 CFEB C=CCNC(=O)c1ccc(OCc2cscn2)cc1 8271585 DKEMFIXZXIONHP-UHFFFAOYSA-N 274.345 2.638 30 40 CFEB CCC[C@H](C#N)NC(=O)c1cc2ccccc2n1C 69367900 LCGLYKWYMPVTGT-GFCCVEGCSA-N 255.321 2.600 30 40 CFEB Cc1ccccc1-n1c(C)cc(/C=N\n2cnnc2)c1C 409063861 NQUWIDABIYFINT-OCKHKDLRSA-N 279.347 2.876 30 40 CFEB Cc1cccc(C(=O)Nc2ccc([S@](C)=O)c(C#N)c2)c1 4060098 WSNIAMVZFZUODV-OAQYLSRUSA-N 298.367 2.856 30 40 CFEB C[C@@H](CC#N)N1CCN([C@@H](C)c2cccc(F)c2)CC1 91980599 BSVCKQNSWGLWKC-KBPBESRZSA-N 275.371 2.806 30 40 CFEB CC[C@H](C#N)NC(=O)Cc1nc(-c2cccs2)oc1C 65595749 PCMXTCFFMKWORO-SNVBAGLBSA-N 289.360 2.672 30 40 CFEB O=C(O)c1ccc(N/N=C/c2cccc3nccnc23)cc1 5518401 HRCXMMLRJQRXDP-VXLYETTFSA-N 292.298 2.774 30 40 CFEB C=CCc1cc(C(=O)NCCCOC(C)C)ccc1OC 408705373 DEZMTELLCBOCCR-UHFFFAOYSA-N 291.391 2.969 30 40 CFEB Cn1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)cn1 6925504 WQLPXWPKNKSTPV-AATRIKPKSA-N 278.258 2.918 30 40 CFEB N#Cc1cc(F)ccc1COc1cccc(-n2cncn2)c1 89780717 MDYVUYJYZJHQPA-UHFFFAOYSA-N 294.289 2.857 30 40 CFEB C[C@](C#N)(NC(=O)CSc1ccc(F)cc1)C1CC1 4564146 NYVJWUJVAOJBRH-CQSZACIVSA-N 278.352 2.726 30 40 CFEB N/C(=N/CCc1ccccn1)Nc1ccc2c(c1)CCC2 225544712 DKBMYENJBWYSEZ-UHFFFAOYSA-N 280.375 2.540 30 40 CFEB COc1ccc(Cl)c2c1C1(C[C@H](CC=O)C2)OCCO1 5028879 JNFVDKXSFKDNQT-SNVBAGLBSA-N 296.750 2.700 30 40 CFEB O[C@@H](ON=C1CCCCC1)c1ccc2c(c1)OCO2 5461860 KQKQTOQTHIQXOL-AWEZNQCLSA-N 263.293 2.743 30 40 CFEB C[C@@H]1S/C(=N\c2cccc(Br)c2)NC1=O 7277318 AWVXZUVPFJERPK-LURJTMIESA-N 285.166 2.688 30 40 CFEB CCc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1 2601626 KAMYXZWXUXQEAD-OAHLLOKOSA-N 286.400 2.775 30 40 CFEB COC(=O)c1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1 1435004 ALYRHFFQWAYBCF-WOJGMQOQSA-N 297.310 2.995 30 40 CFEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 40134933 KCNHKIAHOGHMFW-AWEZNQCLSA-N 294.757 2.905 30 40 CFEB N#Cc1cnn2c(N)c(-c3cccc(Cl)c3)cnc12 101488290 JOTMIZSQMPXAFV-UHFFFAOYSA-N 269.695 2.504 30 40 CFEB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC#N)C2 109275349 FSRFSLXWGWWDBH-FBIMIBRVSA-N 258.159 2.605 30 40 CFEB N#Cc1ccccc1NC(=S)NC(=O)c1cccs1 503223 UZYOGGOWMAJHEJ-UHFFFAOYSA-N 287.369 2.747 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNC1(c2ccccc2)CCC1 69654442 AESDHWVGJFMXPZ-KRWDZBQOSA-N 299.418 2.710 30 40 CFEB C=CCNC(=O)N1CCC[C@H]1Cc1ccc(OC)cc1 48844437 BSVHBJLFPMLNSH-AWEZNQCLSA-N 274.364 2.598 30 40 CFEB C/C(=N\n1cn[nH]c1=S)c1ccc(Br)cc1 6185465 UTZWMQGVKDNHFR-VGOFMYFVSA-N 297.181 2.975 30 40 CFEB N#Cc1ccc(COC(=O)c2cn3ccccc3n2)cc1 4407757 LFUZANLAXAPJRY-UHFFFAOYSA-N 277.283 2.563 30 40 CFEB COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1F 15544056 XJWJTTINLDFGLN-UHFFFAOYSA-N 298.317 2.978 30 40 CFEB C=CCN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O 84735381 CYCTUDXPJUXJHF-CQSZACIVSA-N 278.739 2.683 30 40 CFEB COc1ccc(CN(C(=O)c2cc(C#N)c[nH]2)C2CC2)cc1 75092956 TVCYXKNKEZITJG-UHFFFAOYSA-N 295.342 2.700 30 40 CFEB C=CCOc1ccc(/C=C2/NC(=O)N(CCC)C2=O)cc1 409231291 JRFGEVJHURZEAC-SDNWHVSQSA-N 286.331 2.554 30 40 CFEB N#Cc1ccc(NC(=O)NCCOc2cccc(F)c2)cc1 31089352 UTSIZRRBIXMJRE-UHFFFAOYSA-N 299.305 2.898 30 40 CFEB N#Cc1ccc(NCc2ccc(Cn3ccnc3)cc2)cn1 80948981 QQWZVDDAQFSPCM-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC=CO1 225578164 GYJSLYAZBBWDIG-AWEZNQCLSA-N 260.312 2.822 30 40 CFEB C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccco1)CCO2 96051880 ONKCBLXIKBGSOG-DOTOQJQBSA-N 291.391 2.853 30 40 CFEB CC(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O 238778294 CZZAIHWBOUXBPS-ZYIYBEKCSA-N 254.370 2.509 30 40 CFEB biogenic,in-vitro CCCN(CCC)c1nn(-c2ccc(F)cc2)nc1C#N 256047692 NZZVOTBCKNSOER-UHFFFAOYSA-N 287.342 2.904 30 40 CFEB C[Si](C)(C)C#Cc1ccc(N2CCOCC2)cc1 584907443 NPFQMPOOQPDTCW-UHFFFAOYSA-N 259.425 2.752 30 40 CFEB Cc1csc(N/N=C/c2ccc(N(C)C)cc2)n1 5390710 DRGWIGRYVYUNNH-RIYZIHGNSA-N 260.366 2.964 30 40 CFEB CC1(C)[C@@H]2C[C@H]3OB([C@H](N)CCCN=[N+]=[N-])O[C@@]3(C)[C@@H]1C2 607701831 SPQHOYIFLUFJGD-KSFQGOMNSA-N 292.192 2.672 30 40 CFEB CCC/C(O)=N\S(=O)(=O)c1ccc(/N=N/N(C)C)cc1 2182553 XIXUZLFILBOXAI-FYWRMAATSA-N 298.368 2.692 30 40 CFEB C=C[C@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364265 JBTQEJHRGJHHHA-NRLBWEKTSA-N 264.365 2.969 30 40 CFEB biogenic N#Cc1cnc(SCc2ccc(Cl)cc2)nc1N 159988 VLSCTKMKIKRMCR-UHFFFAOYSA-N 276.752 2.876 30 40 CFEB CCCCOCCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1 1734101 SKVYPMPWHFKHCS-GOEBONIOSA-N 278.348 2.661 30 40 CFEB CN(C1CCCC1)S(=O)(=O)c1cc(Cl)ccc1C#N 32825684 YOILBENDJNXYKC-UHFFFAOYSA-N 298.795 2.775 30 40 CFEB CCOc1ccc(NC(=O)[C@H](C#N)Cc2cccnc2)cc1 419755 QZNHMZWARZHAPJ-AWEZNQCLSA-N 295.342 2.801 30 40 CFEB O=C1c2ccccc2C(=O)N1/N=C/c1c(F)cccc1F 2631563 FKQUNPOOEZSAOB-QGMBQPNBSA-N 286.237 2.595 30 40 CFEB NC1=C2C(=O)c3ccccc3C=C2C(=O)c2ccccc21 23283635 UXNQTLLIDWVTRC-UHFFFAOYSA-N 273.291 2.833 30 40 CFEB O=[N+]([O-])c1ccccc1N[C@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100964879 STELCCUPGVMPOD-ILKCNKRSSA-N 261.281 2.635 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@H]4C=C[C@@H]4[C@@H]32)cc1 101046573 IXJFKIGVJVLUOZ-LXFSFDBISA-N 276.357 2.521 30 40 CFEB N#CCCN(CCC#N)C(=O)CCc1cccc(Cl)c1 58344751 CQMOKPWMNWREGE-UHFFFAOYSA-N 289.766 2.929 30 40 CFEB CC(C)[C@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 48234321 FLBRGJBUQRMVEZ-HNNXBMFYSA-N 293.798 2.657 30 40 CFEB N#CCCN(CCC#N)C(=O)CCCc1ccccc1 8381128 UVWZJMYQRKMKML-UHFFFAOYSA-N 269.348 2.665 30 40 CFEB CC(C)Oc1ccc(/C=N/N(CCC#N)C(=N)S)cc1 13655930 VNJXCIZMCKPMNQ-LICLKQGHSA-N 290.392 2.888 30 40 CFEB N#Cc1cc(F)ccc1CN1CCCC[C@H]1Cn1cccn1 69770300 IOMPYTYCRAEKII-KRWDZBQOSA-N 298.365 2.949 30 40 CFEB CC1(C)CC(=O)C=C(NC[C@@H](O)c2ccccc2)C1 4786375 WHYFMUABLMEEJO-OAHLLOKOSA-N 259.349 2.583 30 40 CFEB Cc1csc(CCC/N=C(\N)N2CCCCCC2)n1 97015413 ZDBBRTLFHZULBV-UHFFFAOYSA-N 280.441 2.575 30 40 CFEB CCOC(=O)c1ccc(/C=C/c2ccc(C#N)cn2)o1 177614087 UBZQUUZGIVHUJW-AATRIKPKSA-N 268.272 2.893 30 40 CFEB NC(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 40477009 FGWAYDYIXZEDRP-CAOOACKPSA-N 274.707 2.895 30 40 CFEB CC(C)[C@]12C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1O2 242538730 JDPPCJDVUVFIMG-JTNHKYCSSA-N 255.358 2.809 30 40 CFEB C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 54530354 OACYRMNILFDXQV-BETUJISGSA-N 271.364 2.760 30 40 CFEB CS/C(=N\C#N)NCc1cc(Cl)nc(Cl)c1 4280629 QEQDAMALHKKMDQ-UHFFFAOYSA-N 275.164 2.678 30 40 CFEB Cc1cc(C)n(CCc2ccccc2)c(=O)c1C#N 34088 JUVXHXLERQUWPO-UHFFFAOYSA-N 252.317 2.580 30 40 CFEB CC(C)Cc1nc(NCCCO)c(C#N)c2c1CCCC2 20588778 PFXKPCGJZAXKOV-UHFFFAOYSA-N 287.407 2.825 30 40 CFEB C#CC[N+]1(CC#Cc2cccc(C)c2)CCCCC1 4610682 DLQQWFKDWLMZSI-UHFFFAOYSA-N 252.381 2.980 30 40 CFEB N#C[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 6514691 LKIMWUXHYSHMQF-HNNXBMFYSA-N 295.294 2.593 30 40 CFEB N#Cc1cccc(/C=C/C(=O)NCCc2cccs2)c1 32700685 GWHMOBKUYNQVFL-VOTSOKGWSA-N 282.368 2.992 30 40 CFEB Cc1cc(OC/C(O)=N/c2ncn[nH]2)cc(C)c1Cl 904302 JTVHVHKMSRVLFZ-UHFFFAOYSA-N 280.715 2.742 30 40 CFEB Cc1ccc2c(c1)/C(=N/n1cnc3ccccc31)C(=O)N2 3191828 HJVXDCDXUUJZFW-UHFFFAOYSA-N 276.299 2.549 30 40 CFEB COC(=O)c1cnc(/C=C/c2cccc(C#N)c2)s1 58356509 JRBLELDSRBKBJG-AATRIKPKSA-N 270.313 2.972 30 40 CFEB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC#N)c1 3488789 HQGYQBGJLKZMGA-UHFFFAOYSA-N 294.310 2.928 30 40 CFEB COc1ccccc1/C=C/C=N/NC(=S)NC(C)C 7982993 CUEVKXYEEKHEIA-UYLQCNQNSA-N 277.393 2.567 30 40 CFEB N#Cc1nc(/C=N/Nc2ccccc2)oc1N1CCCCC1 6282396 IMKLVQJLWYXNPE-LDADJPATSA-N 295.346 2.983 30 40 CFEB Cc1ccccc1CNCc1cc(C#N)n(C)c1C 14114341 TVTNUHMUSLIZPZ-UHFFFAOYSA-N 253.349 2.803 30 40 CFEB Fc1cccc(/C=N/Nc2ccc(Cl)nn2)c1 4962339 HQGCMCIPRGYTET-VGOFMYFVSA-N 250.664 2.715 30 40 CFEB N#Cc1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1 69079613 VONPDPBCZMMMEL-MDZDMXLPSA-N 285.324 2.938 30 40 CFEB C#CC[C@@H](NC(=O)NCc1ccco1)c1ccccc1 95440976 KZQATXCTKHBLTK-OAHLLOKOSA-N 268.316 2.843 30 40 CFEB N#CCCN(C[C@H]1CCOC1)C(=O)c1cccc2[nH]ccc12 88426474 SDTBSJGWHIJXMZ-CYBMUJFWSA-N 297.358 2.560 30 40 CFEB CC1CCC2(CC1)OC[C@H](CNCc1ccc(C#N)o1)O2 95991145 SNCANYMFFSTKQX-NRAUKZCXSA-N 290.363 2.563 30 40 CFEB O=C(OCC(F)(F)F)OCC(F)(F)C(F)(F)F 138696596 LOLOLMAJDSWXQZ-UHFFFAOYSA-N 276.079 2.900 30 40 CFEB COc1cc(OC)cc(N(C)C(=O)c2cccc(C#N)c2)c1 190077045 HQXZCQITFPANPO-UHFFFAOYSA-N 296.326 2.852 30 40 CFEB C=CCO[C@@H]1CC2(CCNCC2)c2cc(OC)ccc21 96241868 NWLUXKUOAKUSHO-MRXNPFEDSA-N 273.376 2.964 30 40 CFEB N#CCCN(CC1CCC1)C(=O)/C=C/c1cccnc1 96425233 ZPYYUOBUMQGEDU-BQYQJAHWSA-N 269.348 2.637 30 40 CFEB C[C@@H]1C[C@H]1N1C[C@H](Nc2c(Cl)cccc2C#N)CC1=O 78565660 ZIRKRSCWNBUJBP-IRUJWGPZSA-N 289.766 2.633 30 40 CFEB COC(=O)CCc1csc(Nc2ccc(C#N)cc2)n1 194424922 DHODQUZDXZEMRB-UHFFFAOYSA-N 287.344 2.864 30 40 CFEB COc1cc(O)c(C(=O)/C=C/c2ccco2)c(OC)c1 4350031 RCUGXFWNGDQEQD-AATRIKPKSA-N 274.272 2.899 30 40 CFEB biogenic,in-vitro N#Cc1ccccc1NC(=O)CN1CCCc2ccccc21 3385159 NOMWRJWONKAFPK-UHFFFAOYSA-N 291.354 2.950 30 40 CFEB Cc1nc(NC(=O)COc2ccccc2C#N)sc1C 7685899 HQVCEVWKSOZLSG-UHFFFAOYSA-N 287.344 2.649 30 40 CFEB C(=N\CCN1CCN[C@@H]1c1ccccc1)\c1ccccc1 104117944 WXLYTNKFGBSFBI-SWVCQTRFSA-N 279.387 2.710 30 40 CFEB N#Cc1cc(F)ccc1CS[C@@H]1CCN(C2CC2)C1=O 89768449 XZLWSIBLUGLPRF-CQSZACIVSA-N 290.363 2.694 30 40 CFEB C=CCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 21787373 DCCRTJMRKLIGHV-OAHLLOKOSA-N 269.348 2.906 30 40 CFEB C#CCNC(=O)c1cc2cc(Cl)ccc2nc1C 26260606 RJOOJLYDAXUZDT-UHFFFAOYSA-N 258.708 2.560 30 40 CFEB CC(C)(C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 58393796 IZUHALLNUGMLAX-MRXNPFEDSA-N 299.418 2.707 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)c1ccccc1 63001480 COBPJYKHJUQXQL-OAHLLOKOSA-N 283.287 2.612 30 40 CFEB N#C[C@H](C(=O)CCC1CCCC1)C(=O)NCc1ccccc1 49486195 BDXDDTCPWVAEIF-MRXNPFEDSA-N 298.386 2.982 30 40 CFEB Cc1nc([C@@H]2CCCCN2Cc2cccc(C#N)c2)no1 64543317 SOLPAAIDRMLAHV-HNNXBMFYSA-N 282.347 2.977 30 40 CFEB N#CCCn1cc(C(N)=O)c(-c2ccc3ccccc3c2)n1 5000342 OZZBBQPGRSDFTR-UHFFFAOYSA-N 290.326 2.716 30 40 CFEB Cc1ccc(NC(=O)CO/N=C(\N)c2ccccc2)cc1C 5295475 MVCOVLICWYOYHS-UHFFFAOYSA-N 297.358 2.579 30 40 CFEB O=C(CON=C1c2ccccc2-c2ccccc21)NC1CC1 14354305 UKYGIIZAQCVMKM-UHFFFAOYSA-N 292.338 2.715 30 40 CFEB COc1ccc(/C(C)=N/N2CC(=O)Nc3ccccc32)cc1 4995376 RCCBOJFUMDWUQH-XDHOZWIPSA-N 295.342 2.878 30 40 CFEB N#Cc1csc(CNCCOc2ccccc2)c1 93492110 SEBNNZNSUQNUBY-UHFFFAOYSA-N 258.346 2.788 30 40 CFEB CCCN/C(=N/CC)NC[C@H]1CCO[C@@H]1c1ccccc1 95406380 HYFUKXBXIKIIOD-HZPDHXFCSA-N 289.423 2.729 30 40 CFEB CC(=O)O/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 85346692 JXRLJZMKAIPGCE-RIYZIHGNSA-N 274.232 2.752 30 40 CFEB CC(C)c1csc([C@@H](C#N)C(=O)C2CCOCC2)n1 80459170 KWJOCLBDVYSKTF-NSHDSACASA-N 278.377 2.869 30 40 CFEB N#CCC1(COC(=O)c2ccn(-c3ccccc3)n2)CC1 96442790 APSSWNDSHNXXBQ-UHFFFAOYSA-N 281.315 2.723 30 40 CFEB CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] 147068722 UZERPUAWQOHXES-UHFFFAOYSA-N 281.243 2.953 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)Nc2ccc(C#N)cn2)c1 69487713 VUDSGDKVANHZPI-RYUDHWBXSA-N 255.325 2.520 30 40 CFEB C=C[C@@H]1C(=O)N(C)[C@@H](C(C)(C)C)N1C(=O)c1ccccc1 17176138 QJCXEWZNLZBCNT-CZUORRHYSA-N 286.375 2.528 30 40 CFEB CCOC(=O)/C(=C/c1cccc(Br)c1)C(C)=O 1625100 LHFZEHPFBQEJLR-XYOKQWHBSA-N 297.148 2.985 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccc(OCC)cc1 100415426 XIUUHZQUONNURX-PTNGSMBKSA-N 270.716 2.613 30 40 CFEB CCOC(=O)c1c(NC(=O)CS)sc2c1CCCC2 411841 LGUFPJCLUXILMX-UHFFFAOYSA-N 299.417 2.672 30 40 CFEB CC(=O)c1c(N)c(C#N)cn1-c1ccc(Cl)cc1 6857158 GVUABCFDWRVAFN-UHFFFAOYSA-N 259.696 2.787 30 40 CFEB N#Cc1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1 10224057 HGOHKLCZMFUDLV-UHFFFAOYSA-N 295.266 2.604 30 40 CFEB CN(C)CCN(C(=O)c1cccc(C#N)c1)C1CCCC1 53152073 DLLSTMBSTDILBJ-UHFFFAOYSA-N 285.391 2.505 30 40 CFEB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)C=CC(=O)[C@H]13)[C@@H]1CC[C@@H]2C1 104295464 MFWXBRNFSDCQBU-NHMRIHQESA-N 256.345 2.939 30 40 CFEB O=C(/C=C/c1cccc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 12783339 BFDNUYQQQXTBFM-QPJJXVBHSA-N 282.274 2.891 30 40 CFEB C#CCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12772975 AIANWSVUPXTZRF-UHFFFAOYSA-N 297.741 2.934 30 40 CFEB C=CCn1c(C)nnc1SCC(=O)c1ccc(F)cc1 12851281 HTRWAEWZEDDOKL-UHFFFAOYSA-N 291.351 2.887 30 40 CFEB CC(=O)c1ccc(C)cc1OS(=O)(=O)CCCCC#N 65553998 QZDNFCUJHALOEW-UHFFFAOYSA-N 295.360 2.600 30 40 CFEB CC(=O)/N=C1\NC(=O)/C(=C/c2cc(C)c(C)cc2C)S1 5577701 AXNJXSMNLMEAIM-QPEQYQDCSA-N 288.372 2.718 30 40 CFEB CCOc1ccc(/C=N/Nc2ccccn2)cc1OC 5694467 SNJYQXRZBREKRP-GZTJUZNOSA-N 271.320 2.935 30 40 CFEB C[C@H](OC(=O)c1ccc2nncn2c1)c1ccc(C#N)cc1 96451154 PJTBBZNNDPYGTD-NSHDSACASA-N 292.298 2.519 30 40 CFEB N#CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 98009526 JAVBEXWUGAVUDU-ZJUUUORDSA-N 269.131 2.737 30 40 CFEB OC[C@H](/N=C/c1ccc2c(c1)OCO2)c1ccccc1 34753201 FJEYOSFEAJTKGM-VEJKBTLKSA-N 269.300 2.568 30 40 CFEB C=C[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 38545724 JBTQEJHRGJHHHA-ZLTXHLNPSA-N 264.365 2.969 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1C=CCCCC[C@@H]1C=O 72481753 YSAIDHRQPYWOIY-VXGBXAGGSA-N 253.342 2.825 30 40 CFEB C=CCN(CC=C)Cc1nc(Cc2ccccc2)no1 45914494 NLPOHPDZPNVNML-UHFFFAOYSA-N 269.348 2.834 30 40 CFEB C#CCN1CCC(C(=O)Nc2cccc3cccnc23)CC1 50027111 SZBCOLHMVHLVEZ-UHFFFAOYSA-N 293.370 2.519 30 40 CFEB COc1ccc(/C=N/OCc2ccccc2)cc1O 11101615 UIKHRYIWVKQZIJ-MHWRWJLKSA-N 257.289 2.952 30 40 CFEB N#Cc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 11373730 KNSMAZHBYGWVIP-UHFFFAOYSA-N 294.310 2.858 30 40 CFEB CCc1ccc(C)[n+](CC#CC[n+]2cc(CC)ccc2C)c1 6489866 YXCAAKMVAHPXNY-UHFFFAOYSA-N 294.442 2.707 30 40 CFEB N#Cc1cccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)c1 7954927 CAEWAPUKTPFJCD-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB Oc1ccccc1/C=N\N=C(\S)N[C@@H]1C[C@H]2C=C[C@H]1C2 102484954 AAIIZTWLPBIJGA-NRSUWXNRSA-N 287.388 2.566 30 40 CFEB C=CCNC(=O)N1CC=C(c2ccc(F)cc2)CC1 12577881 UQMWLMZLRJZBDU-UHFFFAOYSA-N 260.312 2.810 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 58453738 SCRFLJAYZLPFCG-VXGBXAGGSA-N 273.336 2.508 30 40 CFEB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)C=CC(=O)[C@H]13)[C@H]1C=C[C@H]2C1 104295371 HOXQAINAQSRQIE-SMEDVLAQSA-N 254.329 2.715 30 40 CFEB Cc1ccc[n+](CC(=O)Nc2nc3ccccc3s2)c1 2064315 PVPBOSFTMGUUHE-UHFFFAOYSA-O 284.364 2.531 30 40 CFEB C[C@H](C1CC1)N(C)C(=O)/C=C/c1cccc(C#N)c1 27617663 JKEKFDJEAPIJSP-UVMWJGKXSA-N 254.333 2.828 30 40 CFEB C=CCN(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccccc1 69160919 BSHHMJZTHWYRCH-CVEARBPZSA-N 281.359 2.743 30 40 CFEB COc1ccc(/C=C/C(=O)c2ccccc(=O)c2O)cc1 6404154 CFOICEKWJJLKNC-DHZHZOJOSA-N 282.295 2.657 30 40 CFEB N#Cc1c(F)cccc1N1CCN(c2ccc(O)cc2)CC1 7147523 RUPDNZBKPPYHHA-UHFFFAOYSA-N 297.333 2.730 30 40 CFEB C[C@H](CNC(=O)C1(C#N)CCCC1)Oc1ccccc1 70911083 ZAXNTUCJLVFDCP-CYBMUJFWSA-N 272.348 2.654 30 40 CFEB CCOc1cc(Cl)ccc1C(=O)N[C@H](C)CC#N 97048222 CVKYWUINIWIONY-SECBINFHSA-N 266.728 2.771 30 40 CFEB N#Cc1ccc(Cn2cnc(NCc3ccsc3)n2)cc1 195573382 RYRKGOBFYGQKDV-UHFFFAOYSA-N 295.371 2.872 30 40 CFEB O/N=C1\C(c2ccccc2)=NN=C(c2ccccc2)\C1=N/O 17313060 QTZVSLWZEXXBAN-MXWIWYRXSA-N 292.298 2.554 30 40 CFEB C=CCNC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 161422155 RUPZKIYVSWEGRQ-VIFPVBQESA-N 291.763 2.859 30 40 CFEB Cc1cnn(CCN2CCC(C#N)(c3ccccc3)CC2)c1 1849064592 NEIIMENDXPGDBX-UHFFFAOYSA-N 294.402 2.749 30 40 CFEB CCCCCCCCCC(=O)ON1C(=O)CCC1=O 100362563 ZHCGDUYHEXICCS-UHFFFAOYSA-N 269.341 2.734 30 40 CFEB CNc1ccccc1C(=O)Nc1ccc(C#N)cc1 6388621 SFSUEGZDNMTQPL-UHFFFAOYSA-N 251.289 2.852 30 40 CFEB CC(=O)c1sc(NC(=O)c2cccc(C#N)c2)nc1C 8192888 UOSKXOLTFXWIOS-UHFFFAOYSA-N 285.328 2.778 30 40 CFEB O/C(CN1CCCCC1)=N\c1nnc(C(F)(F)F)s1 20386219 UTGSMJCZQUHZMJ-UHFFFAOYSA-N 294.302 2.631 30 40 CFEB Cc1ccsc1C(=O)NCC#Cc1ccccc1 12935325 VQHOUWOOWCTRDD-UHFFFAOYSA-N 255.342 2.838 30 40 CFEB CC(C)COCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 48813510 QNJIUVHZSMKQNQ-LBPRGKRZSA-N 285.347 2.802 30 40 CFEB N#CCN(C(=O)c1cnc(-c2ccccc2)s1)C1CC1 49425949 AOTKKKLRKUTCLS-UHFFFAOYSA-N 283.356 2.938 30 40 CFEB Cn1c(COc2ccc(Cl)cc2)nnc1SCC#N 4167950 BDBDNLUQOCTPRE-UHFFFAOYSA-N 294.767 2.663 30 40 CFEB N#Cc1cccc(C(=O)NCc2ccc(F)cc2)c1 5466421 DXYFWJCMLNMASY-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB COc1ccc(CCn2c(C)c(C)c(C#N)c2N)cc1OC 6668655 QUOSXQCRGBOFEK-UHFFFAOYSA-N 299.374 2.819 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c(C)c1 7056093 PDXOSBOYTZEASL-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1C(=O)O 97036091 XWSDJEDJIXWXRT-UHFFFAOYSA-N 272.304 2.716 30 40 CFEB N#CCSCCCN1CCC(Cc2cccnc2)CC1 95458269 CRJGHIIWEVWETE-UHFFFAOYSA-N 289.448 2.983 30 40 CFEB N#Cc1nc(NCCc2nccs2)ccc1Cl 67370543 OPVPUPJDNFUBSY-UHFFFAOYSA-N 264.741 2.718 30 40 CFEB O=C1/C(=C\c2ccc(N3CCCC3)cc2)N2CCC1CC2 32459167 HVTVDFDRPXUCEQ-GHRIWEEISA-N 282.387 2.922 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@](C=O)(c2cccc(F)c2)C1 72233643 MGXSYAJZOZWKIC-MRXNPFEDSA-N 293.338 2.903 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)c1ccccc1 79102209 OAWGJWNZTLGCNS-UHFFFAOYSA-N 255.339 2.510 30 40 CFEB C=CCn1nc(C)c(CCC(=O)N2CCC[C@H](C)C2)c1C 72242984 NHEWWGRWKVMBRP-ZDUSSCGKSA-N 289.423 2.877 30 40 CFEB CCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254819394 WPWSANGSIWAACK-UHFFFAOYSA-N 252.230 2.701 30 40 CFEB COc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1Cl 669367726 AWPRRHDTTWLPNR-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 210459568 LCQTZTSLYVFFKL-UHFFFAOYSA-N 268.549 2.648 30 40 CFEB in-vitro CN(C)C[C@@H]1CCCC/C1=N/OC(=O)c1ccccc1 17194582 GWLJOTFLCRATTR-MBUFOBGISA-N 274.364 2.951 30 40 CFEB CCC(=O)Nc1ccc(C=C(C(C)=O)C(C)=O)cc1 494061 LBWMADZUDMDNDR-UHFFFAOYSA-N 259.305 2.597 30 40 CFEB CCCC(C#N)(CCC)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 107364304 GPFGGDSLUQDJRS-JHJVBQTASA-N 264.369 2.533 30 40 CFEB N#Cc1cccnc1NC[C@@H](O)c1ccc(Cl)cc1 58648662 CCWOKSLNOICNBO-CYBMUJFWSA-N 273.723 2.752 30 40 CFEB CCOc1ccc(/C=C2/C(=O)ON=C2C)c(OCC)c1 408985519 KVNFMKXGABBCAB-MDWZMJQESA-N 275.304 2.800 30 40 CFEB C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CCC1=O 95448987 ARQJBUWHEMVLMS-WFASDCNBSA-N 284.359 2.522 30 40 CFEB N#CCNC(=O)CC1CCC(c2ccccc2)CC1 78712702 TVOXWEPMKPUUSA-UHFFFAOYSA-N 256.349 2.990 30 40 CFEB N/C(=N\O)c1cn(CCOc2ccccc2)c2ccccc12 98086690 UFUKMZRFRIIBDV-UHFFFAOYSA-N 295.342 2.815 30 40 CFEB C=CCN1C(=O)/C(=C/Nc2ccccc2)SC1=S 96429691 DDKRKSKODPLKCC-LUAWRHEFSA-N 276.386 2.986 30 40 CFEB Fc1cccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c1 95095920 SGBBFBKDHSSXGN-NXEZZACHSA-N 250.191 2.845 30 40 CFEB C=CCNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 12580663 FHNHEIXMCMIKNR-UHFFFAOYSA-N 272.333 2.578 30 40 CFEB COC(=O)NC(=O)c1ccccc1N=C1CCCC1 13999049 BQMWFZMODAGDBZ-UHFFFAOYSA-N 260.293 2.829 30 40 CFEB C[C@](C#N)(NN[C@](C)(C#N)c1ccccc1)c1ccccc1 19170656 AVHSUXXHYWTSRW-QZTJIDSGSA-N 290.370 2.959 30 40 CFEB CC(=O)/C(=C/c1ccc(Cl)cc1)C(=O)CCN(C)C 1579758 DGPDWMMWIGHZLO-UVTDQMKNSA-N 279.767 2.833 30 40 CFEB CS/C(S)=N\N=C(c1ccccn1)c1ccccn1 6425105 ITTZCLOWGTWIRZ-UHFFFAOYSA-N 288.401 2.878 30 40 CFEB C/N=C(/NC)NCCCc1ccc(Cl)c(Cl)c1 58289334 SONGYBHYIDEZGV-UHFFFAOYSA-N 274.195 2.721 30 40 CFEB CCN(Cc1ccncc1)[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965961 YDIREJZUNLYUOQ-RHVPDAKCSA-N 259.353 2.532 30 40 CFEB CC/C=N\c1c(O)cc(-c2ccccc2)n(C)c1=O 104235414 NFXKFEMSJURXSR-SXGWCWSVSA-N 256.305 2.870 30 40 CFEB N=C1NN(c2ccccc2)C(=N)/C1=N/Nc1ccccc1F 4477461 PJJNZRMDPJRCHO-PFLVAFOFSA-N 296.309 2.573 30 40 CFEB CC1(C)CC(=NN)c2c(Nc3ccccc3)n[nH]c2C1 5523132 TWRIAIBOIPGYSV-UHFFFAOYSA-N 269.352 2.789 30 40 CFEB C=CCNC(=O)c1cccnc1Oc1ccccc1 15512220 GQLNINILJLGFOZ-UHFFFAOYSA-N 254.289 2.790 30 40 CFEB O=C1C[C@H](c2ccccc2)N1/N=C/c1ccccc1O 71279088 MFYIYGMEJDZRFN-SWEABUAFSA-N 266.300 2.700 30 40 CFEB N#Cc1cnc2ccccc2c1N1CCSCC1 36913288 ULYJSRLHOLOZFG-UHFFFAOYSA-N 255.346 2.660 30 40 CFEB C[C@H](c1ccccc1)[C@H](C=O)NC(=O)OC(C)(C)C 199828820 PHAYUDMPNKQKSL-YPMHNXCESA-N 263.337 2.882 30 40 CFEB C=C(C)C(=O)O[C@@H](C)CC(O)(C(F)(F)F)C(F)(F)F 34947662 CZDKPGBADTUZLK-LURJTMIESA-N 294.191 2.740 30 40 CFEB COc1ccccc1/C(=N\Nc1ccccc1)[N+](=O)[O-] 17108755 NZSPHNPOYPUTGV-JQIJEIRASA-N 271.276 2.746 30 40 CFEB CC(=O)Nc1nnc(SCc2ccccc2C#N)s1 467375 SUPQMFYDOUKXPE-UHFFFAOYSA-N 290.373 2.660 30 40 CFEB Cc1ccc(-c2c[n+](CCC#N)c3n2CCC3)cc1 6923700 OKHFXYAGERWZOT-UHFFFAOYSA-N 252.341 2.611 30 40 CFEB C=CCN1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 57152092 WWSWVRDXGIOQSK-UHFFFAOYSA-N 283.327 2.620 30 40 CFEB CCN1CCC(CNc2ccc([N+](=O)[O-])cc2C#N)CC1 44411748 KEMRJLFKSKONPI-UHFFFAOYSA-N 288.351 2.610 30 40 CFEB C=CCNC(=O)C[C@@H](C)[C@H](CCCCC)C(=O)O 2294924 UMQNEISULVSVQF-NEPJUHHUSA-N 255.358 2.596 30 40 CFEB C=CCNC(=O)CN(Cc1ccco1)c1ccccc1 69737838 ISAOFQXXUFHVNO-UHFFFAOYSA-N 270.332 2.588 30 40 CFEB CN(CCC#N)C(=O)c1cc(-c2cccc(Cl)c2)no1 71850003 VBBTUDZTFZXCHV-UHFFFAOYSA-N 289.722 2.981 30 40 CFEB CCN(CC)CC#C[C@H](C)OC(=O)c1ncoc1C(C)C 95429453 SIGNFRVYLLIGOP-ZDUSSCGKSA-N 292.379 2.689 30 40 CFEB O=C1C(Cl)=C(Cl)[C@H]2[C@H]1[C@H]1C=C(Cl)[C@]2(Cl)C1=O 36370629 RDFNEVSQEPGJFK-CFHHKUALSA-N 297.952 2.804 30 40 CFEB CC(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1C 409120325 ZAKGHLNYAHGALN-UHFFFAOYSA-N 276.239 2.632 30 40 CFEB O=C(CC[C@@H]1CCCO1)OCC#Cc1ccccc1 59831174 RTQYJQVGFMSSSH-HNNXBMFYSA-N 258.317 2.541 30 40 CFEB N#Cc1c(OCc2cccc3ccccc23)noc1N 225850003 ROGNLVCTERBHRG-UHFFFAOYSA-N 265.272 2.861 30 40 CFEB CC(C)CN1CCC[C@@]2(CCN(c3ccc(C#N)cn3)C2)C1 96215295 OOYRBJKOZATLHI-GOSISDBHSA-N 298.434 2.902 30 40 CFEB Cc1c(C(=O)NC2(C#N)CCC2)oc2ccccc12 63477048 DIYOXZBCXHHYDA-UHFFFAOYSA-N 254.289 2.917 30 40 CFEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2cnccc12 154649781 DWMXKJZTUPHFFR-UHFFFAOYSA-N 297.358 2.598 30 40 CFEB COc1ccc(/C=C\C(=O)[C@]23CCCC[C@H]2O3)cc1OC 575114730 QUUNKNVMAVPMIY-KIUVSXKZSA-N 288.343 2.998 30 40 CFEB C=C(C)C(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056223875 FPIGVUSMOZJMHA-CALCHBBNSA-N 290.451 2.923 30 40 CFEB O=C(C/C(=N\O)C(F)(F)C(F)F)c1ccccc1O 100758261 IFWZTVMWSVYORW-CXUHLZMHSA-N 279.189 2.696 30 40 CFEB CN(Cc1ccc(C#N)cc1)Cc1cn2ccccc2n1 69566613 PPEKUNVUKQDLNF-UHFFFAOYSA-N 276.343 2.838 30 40 CFEB Cc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)o1 47880818 GKVRKQPTIIYELK-AATRIKPKSA-N 283.331 2.874 30 40 CFEB COc1ccc(CC2=C/C(=N/O)C(C)=CC2=O)cc1 104227203 VJCCPTSFHINYIC-PEZBUJJGSA-N 257.289 2.523 30 40 CFEB C=CCn1c(-c2cc3ccccc3o2)nn(CO)c1=S 27517407 BLDYQJNUDGDRRQ-UHFFFAOYSA-N 287.344 2.963 30 40 CFEB CCN(CC)c1ccc(/C=N/n2c(C)nnc2S)cc1 5547790 QCVFPPNVIMWQII-XNTDXEJSSA-N 289.408 2.604 30 40 CFEB CCN1CCN(c2oc(-c3cccc(C)c3)nc2C#N)CC1 4994571 JGQMMDLLXDVQOL-UHFFFAOYSA-N 296.374 2.664 30 40 CFEB CCN(Cc1ccc(C#N)cc1F)c1ncccn1 95394309 OLFDLVSDBRGNGG-UHFFFAOYSA-N 256.284 2.514 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@@H]1CO 78665953 DBCSYCDFEOPKOG-MNOVXSKESA-N 299.296 2.935 30 40 CFEB N#CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 98009525 JAVBEXWUGAVUDU-UWVGGRQHSA-N 269.131 2.737 30 40 CFEB N#Cc1cccc(Oc2ccc(NC(N)=O)cc2)c1 66953439 XCAARLPUOZZEES-UHFFFAOYSA-N 253.261 2.841 30 40 CFEB C=CCN(C[C@@H]1C(C)=CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 191056518 JBSFWONWUVKEQT-BZUAXINKSA-N 297.464 2.654 30 40 CFEB Cc1ccccc1[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)CC1CC1 96420378 JSGDUJGCROCVOX-KGLIPLIRSA-N 293.388 2.795 30 40 CFEB CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(C#N)CCC1 67684070 DUTYZDKGAYRJAW-UHFFFAOYSA-N 293.710 2.766 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl 63092633 FIAVVWRRHHSQSA-ZETCQYMHSA-N 272.135 2.763 30 40 CFEB C[C@@H](CC#N)NC(=O)c1c(O)cc(Cl)cc1Cl 80022378 IRAMFPJJQJPNRT-LURJTMIESA-N 273.119 2.731 30 40 CFEB C[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 12592712 ZWYIXJJDJBZZGE-NSHDSACASA-N 277.393 2.680 30 40 CFEB O/N=C(/C[C@H](NO)c1ccccc1)c1ccccc1 4266149 ZUWXMDDZLGXBOF-MBUFOBGISA-N 256.305 2.975 30 40 CFEB O=C(O)c1ccc(/N=C\c2ccc3c(c2)OCO3)cc1 17159502 OKGVQSBODARQNC-PXNMLYILSA-N 269.256 2.864 30 40 CFEB CCCCCCCCN(C)/N=N/c1[nH]cnc1C(N)=O 1743681 VHSAFEZJKWLKBX-ISLYRVAYSA-N 280.376 2.800 30 40 CFEB N#Cc1cccc(/N=c2\oc3ccccc3cc2C(N)=O)c1 191865 DUJHFJUQYMJGRM-JZJYNLBNSA-N 289.294 2.636 30 40 CFEB Cc1nn(C)c(Cl)c1C(=O)OCc1cccc(C#N)c1 21637802 HJARHMYCRBBUGZ-UHFFFAOYSA-N 289.722 2.611 30 40 CFEB C=C[C@]1(C)C[C@@H](O)O[C@@H](COCc2ccccc2)C1 22005307 ZCYLFFKMWRKJFB-PMPSAXMXSA-N 262.349 2.893 30 40 CFEB CN(C)c1oc(/C=C/c2ccc(F)cc2)nc1C#N 8612995 BVCQAAHWMAUUIZ-VMPITWQZSA-N 257.268 2.922 30 40 CFEB CCCCS[C@H](C)C(=O)Nc1ccc(C#N)cn1 110286909 MMKXYUXJBXPBOJ-SNVBAGLBSA-N 263.366 2.814 30 40 CFEB C=CCNC(=O)c1c(C)noc1-c1ccc(C)cc1 35672347 NCPPLWAMJZTWRH-UHFFFAOYSA-N 256.305 2.874 30 40 CFEB CCn1cc(C(=O)/C=C/c2cccc3c2OCCCO3)cn1 58306202 GTTQTASVNQFAJJ-BQYQJAHWSA-N 298.342 2.960 30 40 CFEB C=CCn1c(SC)nnc1[C@H]1COc2ccccc2O1 3371267 MQRQMMSRNAJQHN-GFCCVEGCSA-N 289.360 2.699 30 40 CFEB C=CCn1c(SC)nnc1[C@@H]1COc2ccccc2O1 3371269 MQRQMMSRNAJQHN-LBPRGKRZSA-N 289.360 2.699 30 40 CFEB COc1ccccc1Nc1nnc(SCC#N)s1 3494563 JJEMCWKGPFRIPL-UHFFFAOYSA-N 278.362 2.906 30 40 CFEB C=C(Br)CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1 67238056 KUPMXVOMQNRNPP-RYUDHWBXSA-N 298.155 2.954 30 40 CFEB O=C(C1=CNc2ccccc2S1(=O)=O)c1ccccc1 67340750 UACZPBKFOGIIRQ-UHFFFAOYSA-N 285.324 2.610 30 40 CFEB N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2 96004097 KCSIQBZFBRKJRP-HIFRSBDPSA-N 269.348 2.989 30 40 CFEB N#Cc1ccc(F)c(CN2CCCC[C@@H]2Cn2cccn2)c1 71875240 BWQKSVDYOCPNHY-MRXNPFEDSA-N 298.365 2.949 30 40 CFEB COc1ccc(CN/N=C/c2ccc(C)o2)cc1OC 20195847 ZHKUGRCKEGSMBP-LICLKQGHSA-N 274.320 2.729 30 40 CFEB Cc1cccn2cc(CNc3ccc(C#N)nc3)nc12 91628524 FTPCGCKFMSPVQX-UHFFFAOYSA-N 263.304 2.522 30 40 CFEB COc1ccc(C(=O)/C=C/[n+]2ccc(C)cc2)cc1 98213543 SKXPQZAKDXVMQV-FMIVXFBMSA-N 254.309 2.645 30 40 CFEB Cc1cc(C)c(C#N)c(SCc2nonc2C)n1 256055453 HPWSZZSRNGFTEN-UHFFFAOYSA-N 260.322 2.554 30 40 CFEB CCOC(=O)CC/C(C)=N\Nc1ccc([N+](=O)[O-])cc1 17284921 SNAQEOYVKJDXKG-UVTDQMKNSA-N 279.296 2.726 30 40 CFEB C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 45815116 WSESWXRDLPZDHP-GFCCVEGCSA-N 294.420 2.764 30 40 CFEB C=C(C)C(=O)N1CCN(C(=O)C(=C)C)c2ccccc21 1581187 GMPFUWQYXXLORR-UHFFFAOYSA-N 270.332 2.518 30 40 CFEB C#C[C@@H](OC(=O)c1ccccc1C(=O)O)c1ccccc1 294603 SKZLSPRPOSFZKP-OAHLLOKOSA-N 280.279 2.916 30 40 CFEB O=C1N(O)C2(CCCCC2)/C(=N\O)C12CCCCC2 104094297 UDTISGZAMFNQMW-PTNGSMBKSA-N 266.341 2.701 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)Nc1ccncc1 71908633 REYQABGROUVAOV-UHFFFAOYSA-N 270.292 2.622 30 40 CFEB CCc1nn2c(=N)c(C#N)c[nH]c2c1-c1cccc(Cl)c1 102736819 BXLJFOOXFSMSPL-UHFFFAOYSA-N 297.749 2.896 30 40 CFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(F)cc1 103503807 FAUVMZHVNBRLJK-AWEZNQCLSA-N 288.322 2.597 30 40 CFEB C=CCNC(=O)CSc1ccc(Br)cc1 3125514 WXQMUQOQZODSJI-UHFFFAOYSA-N 286.194 2.843 30 40 CFEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCOCC1 12850993 GTLQZQZBJHOPCI-UHFFFAOYSA-N 292.338 2.698 30 40 CFEB CC(C)N(CCC#N)C(=O)/C=C/c1ccc(F)cc1 69592943 AGWNYILHENWCMM-RMKNXTFCSA-N 260.312 2.990 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1 4657354 GRJWZCGVHDFNEW-UHFFFAOYSA-N 285.234 2.858 30 40 CFEB CCCCCCCCCNC(=O)C(=O)N[C@@H](C)CC 409257878 RFDPHCZTXNVHOC-ZDUSSCGKSA-N 270.417 2.768 30 40 CFEB COc1ccc(OC(=O)c2cccc(C#N)c2)cc1 7766456 CXQLTQYELZHGCG-UHFFFAOYSA-N 253.257 2.786 30 40 CFEB N#Cc1ccc(NCCc2nc3c(s2)CCCC3)nc1 95980016 IAUVFFSQXLVSCT-UHFFFAOYSA-N 284.388 2.943 30 40 CFEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccs1 225132028 WOJOIJFXCPQTEF-UHFFFAOYSA-N 292.385 2.639 30 40 CFEB Cc1ccccc1C(=O)O/N=C(\N)Cc1ccccc1 226102579 OTBKLYRPPKLDNS-UHFFFAOYSA-N 268.316 2.667 30 40 CFEB CC(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@H]2[C@@H]1O 253480989 CZZAIHWBOUXBPS-RHTUOURWSA-N 254.370 2.509 30 40 CFEB biogenic,in-vitro CC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 204944740 YZEZMUBXDJRPGH-UHFFFAOYSA-N 277.173 2.558 30 40 CFEB in-vitro N/C(=N\O)c1ccccc1N1CCCc2ccccc21 20076030 UVOPATPMNCDTSM-UHFFFAOYSA-N 267.332 2.865 30 40 CFEB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSCC#N 47904436 NLCJUKPOQSFNNP-JTQLQIEISA-N 266.341 2.602 30 40 CFEB C=CCN1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 13322598 JMDRVFRVQRZGSK-MRXNPFEDSA-N 272.392 2.510 30 40 CFEB CC1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 7389281 LEEACYZOIPINOW-CYBMUJFWSA-N 271.364 2.617 30 40 CFEB C[C@H](CCCO)Nc1ccc(Br)cc1C#N 96008509 NMMRABKFZJJXLN-SECBINFHSA-N 283.169 2.894 30 40 CFEB CC1(C)C[C@H](NC(=O)c2cc(C#N)c[nH]2)c2ccccc2O1 89917942 KXWPLOAUTVNIDT-AWEZNQCLSA-N 295.342 2.919 30 40 CFEB CCC[C@H](C)CS(=O)(=O)/N=C(\O)CCc1ccco1 79029200 XGXNQNDFKDBHDJ-NSHDSACASA-N 287.381 2.935 30 40 CFEB CCCn1c(C#N)cc(N)c1N1C[C@@H](C)C[C@H](C)C1 225867110 MGYBPJNRHJDQCM-RYUDHWBXSA-N 260.385 2.834 30 40 CFEB C[C@@H]1C[C@@H](C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 5739151 SNJSEVWIBFVQLE-GHMZBOCLSA-N 259.309 2.949 30 40 CFEB CC(C)COCCC(=O)N[C@@H](C)c1ccc(C#N)cc1 31759170 IPZVWFMTSUSKPU-ZDUSSCGKSA-N 274.364 2.798 30 40 CFEB CC(=N\Nc1ccccc1)/C(=N\O)C(=O)Nc1ccccc1 20159962 IQRAHLCXWWBGLE-DDDFCTNJSA-N 296.330 2.943 30 40 CFEB COc1ccc(NC(=O)/C(O)=C\C(=O)C(C)(C)C)cc1 100669089 XFNSJEIYDZJKGI-FMIVXFBMSA-N 277.320 2.691 30 40 CFEB CC1=CC(=NOC(=O)c2ccc(C)cc2)C=C(C)C1=O 3077361 OLNWVRIWIOPOPO-UHFFFAOYSA-N 269.300 2.983 30 40 CFEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1 32615097 HLPQSRWLPKSWBV-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB CCc1c(O)c(C#N)c2[nH]c3cc(C)c(C)cc3n2c1=O 104266846 SAKTZZCTEFKWCZ-UHFFFAOYSA-N 281.315 2.537 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(C(N)=S)cc2)c1 47271531 IOVDTVIRAONQTQ-UHFFFAOYSA-N 280.352 2.554 30 40 CFEB COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1 47380208 UESVHYKQMKENHG-RMKNXTFCSA-N 256.305 2.633 30 40 CFEB CC(=O)/N=C1\c2ccccc2CN1c1cccc([N+](=O)[O-])c1 12621292 BQNUAHHRPRKLFC-WUKNDPDISA-N 295.298 2.908 30 40 CFEB COc1ccc(/C=C2\C(=O)ON=C2C)cc1Br 13126844 QWGUTNVZOIHYEU-UITAMQMPSA-N 296.120 2.774 30 40 CFEB CCOC(=O)[C@]1(C)O[C@H]1c1ccc(OC(C)C)cc1 4025770 KEORSQVQKMAWTJ-DZGCQCFKSA-N 264.321 2.867 30 40 CFEB biogenic Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C 15583780 NADJYHXRZPGDAC-UHFFFAOYSA-N 267.328 2.986 30 40 CFEB C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O 97085765 HFJPYGLNPZMUTI-LLVKDONJSA-N 281.315 2.636 30 40 CFEB N#Cc1cc(NCc2ccccc2CO)ccc1[N+](=O)[O-] 97144551 UPFJIMSAPMGIHK-UHFFFAOYSA-N 283.287 2.571 30 40 CFEB N#Cc1ccc(NCCSCCCO)cc1Cl 84350668 WKUODRXZGVDYOQ-UHFFFAOYSA-N 270.785 2.739 30 40 CFEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\O)c2)cc1 409073198 YCCGLPAPWKDGSS-GDNBJRDFSA-N 291.328 2.571 30 40 CFEB N=c1[nH]nc(-c2cccc(/N=C/c3ccncc3)c2)s1 408718291 HNSHDWGJMQLDHN-RQZCQDPDSA-N 281.344 2.763 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)c1ccc2ncccc2c1 96502364 NMTQYBLTAASERC-SNVBAGLBSA-N 292.360 2.668 30 40 CFEB Cn1cc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])cn1 71853616 YUKKICJKRCLUQS-DLYLGUBQSA-N 283.287 2.781 30 40 CFEB Cc1ccc(Cn2c(C)cc(C)c(C#N)c2=O)cc1 127046 KOHWPXBMIJIMOT-UHFFFAOYSA-N 252.317 2.694 30 40 CFEB N#CC1(NC(=O)c2cc(F)cc(F)c2)CCCCC1 40216434 RUDWCYKTAPLBNY-UHFFFAOYSA-N 264.275 2.921 30 40 CFEB CC1(C)OB(c2csc3cnccc23)OC1(C)C 203732792 FRAFKEJLWKHQFG-UHFFFAOYSA-N 261.155 2.596 30 40 CFEB in-vitro N#CCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N 19818618 PIBWIEKLKCJTLQ-UHFFFAOYSA-N 291.339 2.690 30 40 CFEB CO[C@@H]1C[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]1C2 248111946 YEYBRTMMOJKDHE-MHEUCROKSA-N 296.388 2.514 30 40 CFEB O=Cc1cccc(C#CC#Cc2cccc(C=O)c2)c1 239563233 YYAHWVHWSCLWFQ-UHFFFAOYSA-N 258.276 2.715 30 40 CFEB N#CCSc1cn(CC(=O)N2CCCC2)c2ccccc12 4272470 PPKCMUDUXAOUIM-UHFFFAOYSA-N 299.399 2.879 30 40 CFEB OC1=C/C(=N\c2ncn[nH]2)C[C@@H](c2cccs2)C1 104153262 ANOPUASSURYTIX-KGUCUCPSSA-N 260.322 2.958 30 40 CFEB Cc1nn2c(=N)c(C#N)c[nH]c2c1-c1ccc(Cl)cc1 102750329 BYCNWHMYQFATOX-UHFFFAOYSA-N 283.722 2.642 30 40 CFEB Cc1ccc(S(=O)(=O)[C@H]2CCCC/C2=N/O)cc1 100948591 FPAUJHLMASNBJC-BSHRGCEOSA-N 267.350 2.542 30 40 CFEB C#CC[N+]1(CC#Cc2cccc3ccccc23)CCOCC1 1251375 SAGOTJIAZMEBKU-UHFFFAOYSA-N 290.386 2.672 30 40 CFEB C=C(Cl)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 14014676 WGMXYCVZRIHJRJ-AWEZNQCLSA-N 278.739 2.596 30 40 CFEB CN(C)c1ccc(CN(C)c2ccc(C#N)cn2)cc1 70040519 YPMUCYOAZKDTQG-UHFFFAOYSA-N 266.348 2.656 30 40 CFEB CN(C)c1ncccc1CNc1cc(C#N)ccc1[N+](=O)[O-] 302223226 TZGGKLADKBEYCQ-UHFFFAOYSA-N 297.318 2.540 30 40 CFEB Cc1nnc(-c2cccc(NC(=O)C3(C#N)CCC3)c2)o1 72296906 YSJYGUORSQIZDI-UHFFFAOYSA-N 282.303 2.677 30 40 CFEB N#Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]2n2ccnc2)c1 72270818 ZJEJQLCWTGNVRM-GJZGRUSLSA-N 295.346 2.670 30 40 CFEB C#CCOc1ccc(CN(C)Cc2cccnc2)cc1 97058611 CDVSHVIWYQJQTL-UHFFFAOYSA-N 266.344 2.726 30 40 CFEB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(C#N)c1 84637092 KGGDQTNKZXYDJU-CXAGYDPISA-N 294.354 2.800 30 40 CFEB CC(C)n1cc(C#N)c(NC(=O)c2ccncc2Cl)n1 84633153 JODRDZORBQUKGI-UHFFFAOYSA-N 289.726 2.636 30 40 CFEB Cc1ccccc1-c1cc(NC(=O)c2cc(C#N)c[nH]2)[nH]n1 95406898 IFEMKLVKCWHEOT-UHFFFAOYSA-N 291.314 2.837 30 40 CFEB CC(C)(C#N)C(=O)OCC(=O)c1ccc(Cl)s1 95949542 QKZSKMGMALAALW-UHFFFAOYSA-N 271.725 2.677 30 40 CFEB N#Cc1ccsc1NC(=O)COC1CCCC1 95950120 SVNFVRRRNYUVNE-UHFFFAOYSA-N 250.323 2.517 30 40 CFEB O=C(OCc1ccccc1)N1CCC(CS)CC1 71485014 ZMTGCZYHYFYKPX-UHFFFAOYSA-N 265.378 2.965 30 40 CFEB N/N=C1/C[C@H](C(=O)O)[C@@H]2c3ccccc3-c3cccc1c32 217613606 UJTAOKCPHZWBHD-DFIMZZLNSA-N 278.311 2.566 30 40 CFEB CCO[C@](C)(C(=O)Nc1ccc(OC)cc1C#N)C1CC1 225836481 KWQITYLCPXOBEG-INIZCTEOSA-N 288.347 2.711 30 40 CFEB C[C@H](NC(=O)C1(C#N)CCCC1)[C@H](c1ccccc1)N(C)C 193658231 MIKRLLNQLFXVPR-GOEBONIOSA-N 299.418 2.878 30 40 CFEB Cc1cc2c(cc1O)C1=CC(=O)[C@H](O)C(C)(C)[C@@H]1CC2 225417161 SWKZYBLWKLLDHI-CJNGLKHVSA-N 272.344 2.616 30 40 CFEB biogenic,in-vitro COc1ccc(/C=N/n2ncc3ccccc32)cc1 3192480 UEPOACHPMLAHQF-MHWRWJLKSA-N 251.289 2.927 30 40 CFEB COc1cc(C(=O)O)ccc1OCc1cccc(C#N)c1 13420540 FFWCLEVPYQZZBW-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB O=C1C=CC(=C2C=C(C(=O)O)c3ccccc3N2)C=C1 100487301 CHOPUZNXGMXGOA-UHFFFAOYSA-N 265.268 2.529 30 40 CFEB COc1cccc(C(=O)C2=C(C)N3CCN=C3S2)c1 41104968 SSNUHIKSIGYJTG-UHFFFAOYSA-N 274.345 2.528 30 40 CFEB COC(=O)COc1ccc(/C=N\c2ccc(OC)cc2)cc1 100284352 UOEJFNPQXOMBBQ-WQRHYEAKSA-N 299.326 2.998 30 40 CFEB CCc1noc(COc2ccc(C#N)cc2Cl)n1 22751344 UPITVXYUJJGMJM-UHFFFAOYSA-N 263.684 2.736 30 40 CFEB CC(C)C[C@H](C#N)NC(=O)C1=NO[C@@H](c2ccccc2)C1 69653326 AIARXKDYEUCFAE-UKRRQHHQSA-N 285.347 2.558 30 40 CFEB C=CCn1c(SC)nc2cc(Cl)ccc2c1=O 58085055 XZVNGUVTSYFKRZ-UHFFFAOYSA-N 266.753 2.958 30 40 CFEB Cc1ccc(C)c(OCCCC/C(O)=N/S(C)(=O)=O)c1 49054834 QJUYHWSRJCAIHQ-UHFFFAOYSA-N 299.392 2.769 30 40 CFEB Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(C#N)cc1 14162695 MMEUJKIOFUCGES-UHFFFAOYSA-N 282.347 2.842 30 40 CFEB CCCCCCCCNC(=O)C(=O)Nc1nccs1 408709540 DAXANTJUKLTVNS-UHFFFAOYSA-N 283.397 2.558 30 40 CFEB C[C@@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1N 8186704 HWJAVESVCYXOQS-YFKPBYRVSA-N 259.092 2.644 30 40 CFEB N#Cc1ccc(SCCC(N)=O)cc1C(F)(F)F 95997455 QOCAJBIERCLYKW-UHFFFAOYSA-N 274.267 2.545 30 40 CFEB O=C(COc1cccc(/C=N\O)c1)Nc1ccccc1 409268652 XCFMPJPPQACYBJ-YBEGLDIGSA-N 270.288 2.512 30 40 CFEB C#CCOC(=O)c1ccc(-c2cc(N)ccc2C)o1 73640363 AVBULYDHZLCDOQ-UHFFFAOYSA-N 255.273 2.627 30 40 CFEB C#CCOC(=O)c1cc(-n2cccc2)ccc1Cl 226244917 ITKKSGKPALNTFE-UHFFFAOYSA-N 259.692 2.921 30 40 CFEB CNc1ccccc(C(=O)/C=C/c2ccc(OC)cc2)c1=O 96317119 NOBOHAOVSDQRGC-FMIVXFBMSA-N 295.338 2.993 30 40 CFEB N#Cc1cnc(SCCSc2ccccc2)nc1N 95988615 KGZBFYMYCOHTSD-UHFFFAOYSA-N 288.401 2.815 30 40 CFEB N#CCC(=O)c1ccc(Br)c(F)c1F 98210929 BBSMPJSAYSAMMF-UHFFFAOYSA-N 260.037 2.824 30 40 CFEB CCOc1ccc(/C=N/[N+](C)(C)C)cc1OCC 1637931 NANDXZYTCQTHRT-RVDMUPIBSA-N 251.350 2.524 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 7056082 KHKYIDIZBIORBR-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CCC/C(=N\OC(C)=O)c1cc(C)ccc1OC(C)=O 5455063 PVCBWUQWBNCMNJ-JQIJEIRASA-N 277.320 2.988 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1ccc2ccccc2n1 40357257 TVPCGGGUNONYJQ-OAHLLOKOSA-N 253.305 2.657 30 40 CFEB O=C1C=C(Nc2cccc(C(=O)O)c2)c2ccccc2C1=O 1707107 WYIZNABLHZTYJV-UHFFFAOYSA-N 293.278 2.603 30 40 CFEB CC(C)OCc1cccc(CNC(=O)C2(C#N)CCC2)c1 71914340 ZJSPKLQNGWVYDC-UHFFFAOYSA-N 286.375 2.922 30 40 CFEB CCN(/C(F)=N/C(F)(F)F)/C(F)=N/C(F)(F)F 103365729 JHTJEFKGWLLHPT-FDOALMFVSA-N 271.111 2.999 30 40 CFEB N#Cc1cccnc1Oc1ccc2ccc(=O)oc2c1 12545068 ALGIPRASFBBRCV-UHFFFAOYSA-N 264.240 2.852 30 40 CFEB N#Cc1cccnc1NCc1cccnc1N1CCCCC1 58294903 NHVFREIOBJRBFZ-UHFFFAOYSA-N 293.374 2.951 30 40 CFEB N#Cc1ccccc1CN1C(=O)NC2(CCCCCC2)C1=O 3592749 UZHXLYOVJHYCEP-UHFFFAOYSA-N 297.358 2.703 30 40 CFEB C=CCN1C(=O)N/C(=C/c2ccc(N(CC)CC)cc2)C1=O 409132573 KDPCWDRPJINWRG-NTCAYCPXSA-N 299.374 2.612 30 40 CFEB N#CCc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 15294550 VYLBIRZLQGJYNV-UHFFFAOYSA-N 290.326 2.675 30 40 CFEB CCC(/C=N/n1c(SC)nnc(C(C)(C)C)c1=O)CC 72273036 BZDOXZMDCWFBHZ-OQLLNIDSSA-N 296.440 2.928 30 40 CFEB CCN(CC)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cn1 97164066 TXZASCSDUVXAMC-CQSZACIVSA-N 294.358 2.813 30 40 CFEB Cn1cc(C2CCN(Cc3cccc(C#N)c3)CC2)cn1 97203348 OZDYYXVRMWZBLI-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB CC[C@H]1CC[C@@H](C)N1C(=O)COc1ccc(CC#N)cc1 95458848 BTTKSZXWJDEVPJ-HIFRSBDPSA-N 286.375 2.921 30 40 CFEB O=C1CSC(=S)N1/N=C\c1ccc(Cl)cc1 33467395 IEPPLHQLTKWPHO-XGICHPGQSA-N 270.766 2.534 30 40 CFEB Cc1cc(C#CC(=O)O)c(C)cc1Br 85396933 SASHVNSQVCOMEB-UHFFFAOYSA-N 253.095 2.502 30 40 CFEB CCCc1c(N)cc(C#N)n1CCOc1ccccc1OC 225862618 QXYPNEXDEGHQAB-UHFFFAOYSA-N 299.374 2.982 30 40 CFEB Cc1ccc(-c2c(S(C)(=O)=O)sc(N)c2C#N)cc1 96532101 IDQZSKATCSMRGU-UHFFFAOYSA-N 292.385 2.581 30 40 CFEB N#Cc1ccc(N[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 63001361 WAXFWOXQDJKNSY-CQSZACIVSA-N 283.287 2.612 30 40 CFEB CCCN(C)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1 64034024 CCQSHIUTQOWWHY-ZDUSSCGKSA-N 273.380 2.764 30 40 CFEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1O 4551083 OCHRLIJKKVDPPX-AWNIVKPZSA-N 263.322 2.612 30 40 CFEB C=C(C)C(=O)OC1CCC(OC(=O)C(=C)C)CC1 2571927 OFIMLDVVRXOXSK-UHFFFAOYSA-N 252.310 2.536 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2\CC[C@@H]3C[C@H]23)c([N+](=O)[O-])c1 4982895 AHRJJPFGSXCRPK-VRPGHGGTSA-N 276.252 2.701 30 40 CFEB O=C1C2=C(c3ccccc31)[N+](=O)[C@@H]1CCCCC[C@@H]1N2O 6231053 QCWXTHIBXDIRIR-OLZOCXBDSA-N 285.323 2.737 30 40 CFEB Cc1nnc(S[C@@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)s1 100965828 BXTDDAZSTPNURI-MQALXWKMSA-N 255.368 2.567 30 40 CFEB C=CCn1nnnc1-c1cc(Cl)cc(Cl)c1 1405268 YSGYKHZMNLGKDU-UHFFFAOYSA-N 255.108 2.833 30 40 CFEB C#CCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 12629202 LUEFCTRNHCTLRG-UHFFFAOYSA-N 289.338 2.697 30 40 CFEB N#Cc1ccccc1OCC(=O)NCC1CCCCC1 3350832 BFOLNXVESZIVDH-UHFFFAOYSA-N 272.348 2.634 30 40 CFEB N#Cc1ccc(F)c(COC(=O)c2ccccc2CO)c1 65609109 PZQQIOUQANBKNE-UHFFFAOYSA-N 285.274 2.547 30 40 CFEB Cc1csc(NC(=O)/C=C/c2ccccc2C#N)n1 8935579 ARRFSNFBAIJKOQ-VOTSOKGWSA-N 269.329 2.975 30 40 CFEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc[nH]2)c1 4823196 ALMCONYDXXYTHU-BQYQJAHWSA-N 254.289 2.869 30 40 CFEB C=C(Cl)CNC(=O)c1cccnc1N1CCCCC1 72290309 JGDISHXIELFSBO-UHFFFAOYSA-N 279.771 2.554 30 40 CFEB N#CC1(NC(=O)c2ncoc2-c2cccs2)CCCC1 78796915 FWIDKEWMKSQLOC-UHFFFAOYSA-N 287.344 2.969 30 40 CFEB N#Cc1cccnc1Oc1cccc(-n2cccn2)c1 79015464 NJNKXXZQGYNPHG-UHFFFAOYSA-N 262.272 2.931 30 40 CFEB COc1ccccc1OCCNc1ccc(N)cc1C#N 20135067 KWTFGTKFTOQQSN-UHFFFAOYSA-N 283.331 2.640 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCc1ccccc1 660067384 TZHIHTWFTZRSOJ-IYBDPMFKSA-N 291.416 2.742 30 40 CFEB C#CCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344892 CFGWCJIGZAMJFS-NWDGAFQWSA-N 268.143 2.846 30 40 CFEB CC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 69509622 BWHIWBJGJFUNOP-MNOVXSKESA-N 278.377 2.594 30 40 CFEB CN1C(=O)/C(=C\c2ccccc2)C(=O)c2ccccc21 5719771 KVXDXEKYHXTIGV-KAMYIIQDSA-N 263.296 2.929 30 40 CFEB CC[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1 40357358 XJJYKOQTGKAZBG-ZDUSSCGKSA-N 250.729 2.691 30 40 CFEB COC(=O)N1c2ccccc2C(c2ccccc2)=N[C@H]1C#N 1612160 YVFGWYPBUXMBGU-OAHLLOKOSA-N 291.310 2.960 30 40 CFEB C=CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2383936 LFGCDZGIEOJPMD-JTQLQIEISA-N 257.330 2.711 30 40 CFEB CCCCCCCCN(CCOCCO)C(=O)OCC 100934518 YDRVCPXBZROJFD-UHFFFAOYSA-N 289.416 2.814 30 40 CFEB COc1ccc(/C=N/c2ccc(OCC(=O)O)cc2)cc1 101538754 AAOYJJCVDINDSO-LICLKQGHSA-N 285.299 2.909 30 40 CFEB CN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1 17749692 SAVMTFSFHVYYDQ-WOJGMQOQSA-N 267.332 2.602 30 40 CFEB CN(Cc1ccccc1F)C(=O)COc1ccc(C#N)cc1 3408853 HNDFMJIOBFXVLD-UHFFFAOYSA-N 298.317 2.735 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2cccc3[nH]ccc23)c1 65576250 GNWCJKYQSODTJR-UHFFFAOYSA-N 297.339 2.840 30 40 CFEB CSc1ncc(N/N=C\c2ccccc2[N+](=O)[O-])cn1 4567718 TYSOJHLIKYBBMM-UUASQNMZSA-N 289.320 2.553 30 40 CFEB N#Cc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1 4919132 ZOGFCHGEJFIHNH-LICLKQGHSA-N 265.272 2.702 30 40 CFEB C=C(Br)CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 67238044 KUPMXVOMQNRNPP-VXGBXAGGSA-N 298.155 2.954 30 40 CFEB C#CCNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 72286686 RHWYLQASPZECLK-ZDUSSCGKSA-N 294.807 2.773 30 40 CFEB C=CCCCC(=O)N1CCCN1C(=O)OC(C)(C)C 95979766 DCXPRROQAVQLRR-UHFFFAOYSA-N 268.357 2.727 30 40 CFEB CCOc1ccccc1/N=C\c1ccc(OCC(N)=O)cc1 408962930 LESOKJCFUHDYKY-ODLFYWEKSA-N 298.342 2.700 30 40 CFEB COc1ccc(CCN(C)c2cccc(C#N)n2)cc1 1149129145 IHCGUJSJLMPGEG-UHFFFAOYSA-N 267.332 2.641 30 40 CFEB O=[N+]([O-])c1ccccc1[C@H](O)C#Cc1ccccc1 71623904 KCDOYZHHWBPJBE-OAHLLOKOSA-N 253.257 2.680 30 40 CFEB Cc1cccc(N2CCN(c3ccc(C#N)nc3)CC2)c1 149339622 LZZIEEBIKZBPDL-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB Cc1noc(C)c1CN(C#N)c1ccc(F)c(C#N)c1 96436676 RJNNTIVPDLAXHW-UHFFFAOYSA-N 270.267 2.790 30 40 CFEB O=C(Nc1ccccc1)[C@]12C[C@H]1C(=NO)c1ccccc1O2 299888329 FPXPIEZPAXSELW-GUYCJALGSA-N 294.310 2.655 30 40 CFEB CNC(=S)NN=C/C(Br)=C\c1ccccc1 255003955 HFOZUYLTKSHTPO-RDSNHSOBSA-N 298.209 2.502 30 40 CFEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1O 4200153 CIGVIMMYKPDFCL-WTKPLQERSA-N 281.695 2.760 30 40 CFEB C=CCOC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 5382794 BPIMUDWIBMXRGS-STQMWFEESA-N 254.713 2.957 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\N=C/c2ccc([N+](=O)[O-])cc2)cc1 16890922 YWEOYAUKSPQBMW-VULZFCBJSA-N 298.258 2.956 30 40 CFEB N#C[C@@H](NC(=O)c1cc2ccccc2s1)[C@@H]1CCOC1 69487439 PZCHHPUHNCICQZ-VXGBXAGGSA-N 286.356 2.560 30 40 CFEB C[C@@H]1OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 4114200 YGHSAYIGIPJDAX-QMMMGPOBSA-N 254.326 2.821 30 40 CFEB COc1cccc(C(=O)OCc2ccccc2C#N)c1O 2633741 HAMMYERVLAOCML-UHFFFAOYSA-N 283.283 2.629 30 40 CFEB CCNC(=O)CON=C1c2ccccc2-c2ccccc21 2622825 WZQHSYVIGDFUHW-UHFFFAOYSA-N 280.327 2.572 30 40 CFEB C[C@@H]1CC(=O)C=C(NN(C)c2ccc(C(F)(F)F)cn2)C1 100946616 LMRKRLYIIJLWEQ-VIFPVBQESA-N 299.296 2.924 30 40 CFEB CC1(C)CC(Nc2ncccc2C#N)CC(C)(C)N1 22875159 QKXOHRYLDXMUKG-UHFFFAOYSA-N 258.369 2.674 30 40 CFEB CN(CCc1ccncc1)C(=O)Nc1ccc(C#N)cc1 58306764 DCMWUGJLQLTQHA-UHFFFAOYSA-N 280.331 2.660 30 40 CFEB N#Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1 14201882 JMFFJGODECCBBV-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB CC(C)c1ncc(C(=O)OCC2(C#N)CCOCC2)s1 97056727 MSUIMEMFZYIOEP-UHFFFAOYSA-N 294.376 2.744 30 40 CFEB N#Cc1ccc(CN2CCc3cc(F)ccc3C2)o1 97051067 QIXOGCQIPKRPSF-UHFFFAOYSA-N 256.280 2.849 30 40 CFEB Cc1ccc([C@H]2C[C@H]2C(=O)NC2(C#N)CCC2)s1 95393908 QIPNGKLUQPKYQV-WDEREUQCSA-N 260.362 2.723 30 40 CFEB Cc1ccc2c(CC(=O)N(C)[C@@H](C)CC#N)c[nH]c2c1 78420457 IFXIOERDHCYUPT-LBPRGKRZSA-N 269.348 2.779 30 40 CFEB N#CC1(NC(=O)c2nccc3ccccc23)CCSCC1 95440079 AMSJIVDEUSJZED-UHFFFAOYSA-N 297.383 2.754 30 40 CFEB N#Cc1ccsc1C(=O)Nc1ncc(Cl)s1 78997361 VCFQOGCLTFNSQB-UHFFFAOYSA-N 269.738 2.982 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3[C@H]4C=C[C@@H]4[C@H]23)cc1 45070870 IXJFKIGVJVLUOZ-RMEBNNNOSA-N 276.357 2.521 30 40 CFEB C=C[C@@H](C)CCOC(=O)c1snnc1-c1coc(C)n1 223860020 SVMOSZSAORRBFR-MRVPVSSYSA-N 293.348 2.871 30 40 CFEB CCn1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cn1 80457234 DRIARVFYYZYPGE-LLVKDONJSA-N 288.376 2.973 30 40 CFEB COc1ccc(F)cc1C#CCO[C@@H]1CCCCO1 95633669 PFBKIKURFSNHCG-OAHLLOKOSA-N 264.296 2.729 30 40 CFEB CC(C)C/C(O)=N/S(=O)(=O)Cc1ccccc1 48519349 RYUMMBPETKBJJF-UHFFFAOYSA-N 255.339 2.519 30 40 CFEB C[C@H](NCc1ccc(F)c(C#N)c1)C1CCOCC1 95985366 KWOOJHMKDLUIHJ-NSHDSACASA-N 262.328 2.602 30 40 CFEB CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)[C@H]1CO1 12351575 QBDJHEUSBYIOGK-ZIAGYGMSSA-N 277.364 2.911 30 40 CFEB O=C1C(=Cc2cccc([N+](=O)[O-])c2O)C(=O)c2ccccc21 16524287 PTJHYXZBXQHINL-UHFFFAOYSA-N 295.250 2.763 30 40 CFEB C[C@H](C[C@@H](C#CCN(C)C)N(C)C)CC(C)(C)C 1593746 HEZYTKNQCGFASS-HUUCEWRRSA-N 252.446 2.944 30 40 CFEB C=CCSc1nnc(-c2ccccc2OC)n1C 32944865 AOTUKFLCFOXJOE-UHFFFAOYSA-N 261.350 2.769 30 40 CFEB C[C@@]1(C(=O)/C=C/c2cccc(Br)c2)CO1 501477 UJWJSSSQRFJLKR-FYJFLYSWSA-N 267.122 2.820 30 40 CFEB COCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 41534235 BFIZFGGSYOSQEL-LLVKDONJSA-N 272.329 2.633 30 40 CFEB CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 103502534 DDBLHZVSIICQKZ-OAHLLOKOSA-N 298.386 2.929 30 40 CFEB COc1cccc(C(=O)[C@H](C#N)C(=O)c2cccs2)c1 103503075 JEVVPGZHDWBROV-LBPRGKRZSA-N 285.324 2.962 30 40 CFEB CCc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 2737676 ZSXIOGDJSQQMIE-FOWTUZBSSA-N 288.372 2.561 30 40 CFEB C(=N/n1cnnc1)\c1cccc(OCc2ccccc2)c1 1280877 CGUZPXUHLZCRNO-VXLYETTFSA-N 278.315 2.739 30 40 CFEB C[C@@H]1CCc2onc(C(=O)Nc3ccccc3C#N)c2C1 20572143 SRUCGRLFPWGHJD-SNVBAGLBSA-N 281.315 2.923 30 40 CFEB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)CC#N)cc2c1 64318358 MIJDAJNUJOEWAI-NSHDSACASA-N 267.332 2.884 30 40 CFEB COc1cc(/C=N/Nc2ccc(F)cc2)cc(OC)c1O 5019329 VALNRTRONAEAQK-RQZCQDPDSA-N 290.294 2.995 30 40 CFEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1F 15293603 ZMHOLOLIEQDLIT-HNNXBMFYSA-N 277.343 2.601 30 40 CFEB COc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1OC 8935842 KPBXWHAYMFSBNZ-UHFFFAOYSA-N 296.326 2.757 30 40 CFEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1ccco1 9042316 IGVMDCWSCRTXMR-WQLSENKSSA-N 286.312 2.877 30 40 CFEB CCN(CC)c1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 309856924 FCHYRPIBXPBNKN-UHFFFAOYSA-N 293.191 2.971 30 40 CFEB Cc1cccc2c(N3CCC[C@@H](CO)C3)c(C#N)cnc12 84230241 GBQFNRKDOKCSQR-CYBMUJFWSA-N 281.359 2.624 30 40 CFEB Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CNC3)n1 97830062 PDCGVJNVWODTOB-UHFFFAOYSA-N 278.359 2.785 30 40 CFEB C=CCOc1ccc(NC(=O)CC2CCN(C)CC2)cc1 216896157 HGHIXLRKRFOWSN-UHFFFAOYSA-N 288.391 2.922 30 40 CFEB N#Cc1ccc(-c2ccc(Br)s2)[nH]c1=O 31814609 ZXLSXWVLEXEQOZ-UHFFFAOYSA-N 281.134 2.738 30 40 CFEB C[C@@H]1NOC(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 73386497 AVCZFBKFYDUHAM-HYOBCQAGSA-N 274.107 2.896 30 40 CFEB COc1cc(C#N)c(OCC(C)C)c([N+](=O)[O-])c1 225289423 OLWTXBBYVNNZSK-UHFFFAOYSA-N 250.254 2.510 30 40 CFEB CC(C)Cc1nc(SC(C)C)nc(N)c1C#N 225893167 UBNXOBYKPXGEGA-UHFFFAOYSA-N 250.371 2.629 30 40 CFEB C[C@@H](C#N)CNC(=O)/C=C/c1cc(Br)cs1 80183058 FCIFVPAQHFMGBC-SGJFDWMWSA-N 299.193 2.800 30 40 CFEB C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C(=O)O)c2ccccc21 192948687 NXYHGBXAASAMDL-DGCLKSJQSA-N 273.332 2.804 30 40 CFEB N#Cc1cnn(CCCC(F)(F)C(F)(F)F)c1 95094080 SYOONERQRMXWPI-UHFFFAOYSA-N 253.174 2.733 30 40 CFEB CSc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 642814725 UHOFWZDZAKNXRE-UHFFFAOYSA-N 268.162 2.847 30 40 CFEB C=C(C)CN(CC)C(=O)Cc1ccc(OC)c(F)c1 52819401 ZKTAZHLIMNBHCQ-UHFFFAOYSA-N 265.328 2.801 30 40 CFEB C[C@@H]1CN(C)[C@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 5355184 YLUPTEYKJCDJHX-ZMHKRQFYSA-N 277.324 2.690 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1 7405381 HZGWMQVREBWREY-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](N)Cc3ccccc3)O[C@@]12C 256603694 VBPSRSJQIVBEOE-QYXWGXCQSA-N 299.223 2.824 30 40 CFEB C=C1C=CN(C(C)=O)[C@@H](OC(C)=O)[C@H]1SC(C)(C)C 1755403 LSIDFOQNYZCLGQ-STQMWFEESA-N 283.393 2.708 30 40 CFEB COc1ccc(/C=N/c2ccccc2C(N)=O)cc1 297719 IQPPMKDQOFSNBA-LICLKQGHSA-N 254.289 2.545 30 40 CFEB CCCC[C@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 4722201 BMKFSYAXODOSHM-BNDQCTAISA-N 281.268 2.533 30 40 CFEB N#Cc1ccccc1CN1CCO[C@@H]2CCCC[C@@H]21 42251324 SXQXYOWYQDTBAX-JKSUJKDBSA-N 256.349 2.702 30 40 CFEB CCCc1ccc(C#N)c(SC(C)(C)C(=O)OC)n1 12411454 KGVOSAOJGLOZNE-UHFFFAOYSA-N 278.377 2.949 30 40 CFEB N#C[C@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CCCC1 106867722 BGBNOJMPDYCFDL-RMRHIDDWSA-N 288.391 2.580 30 40 CFEB CN(C)C(=O)Cc1ccccc1NCc1ccccc1C#N 58172952 BNMNSZSCGVEDOV-UHFFFAOYSA-N 293.370 2.801 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccccc1C#N 3445571 CGXZMRSFGUUFBH-STQMWFEESA-N 272.348 2.727 30 40 CFEB CN(C(=O)c1cc2ccccc2n1C)C1(C#N)CCC1 49313829 PCRJTDSYZKNBDU-UHFFFAOYSA-N 267.332 2.697 30 40 CFEB C=C(Cl)Cn1cnc2sc3c(c2c1=O)CCC3 8547402 RJRRYGGOUMFZSR-UHFFFAOYSA-N 266.753 2.699 30 40 CFEB Cc1cc(F)ccc1NCC(=O)N[C@](C)(C#N)C(C)C 15328175 JABAFECWISCSTD-OAHLLOKOSA-N 277.343 2.601 30 40 CFEB CS[C@H]1CCC[C@@H]1N(C)Cc1ccc(C#N)o1 93869558 JZUDRBBKHZWUQT-STQMWFEESA-N 250.367 2.867 30 40 CFEB Fc1ccc(/C(=N/Nc2cnccn2)C2CC2)cc1 97133558 ZATZHKWCEBICAB-XMHGGMMESA-N 256.284 2.842 30 40 CFEB C=CCC[C@H](O)CN1CCC(Nc2cccc(C)n2)CC1 95966207 OISKBFAWVZFTCQ-INIZCTEOSA-N 289.423 2.593 30 40 CFEB Cc1ccc(C(=O)/C=C/n2ccc(=N)cc2)c(C)c1 409415808 XOVOLRYEDXUIQP-JXMROGBWSA-N 252.317 2.938 30 40 CFEB N#Cc1ccc(NC(=O)CCCc2ccccn2)cc1C#N 96418399 OBNQBHIZTBOFFO-UHFFFAOYSA-N 290.326 2.786 30 40 CFEB N#Cc1ccc(CN2CCC[C@H]2c2ccc(O)nn2)c(F)c1 528787591 BFTMXFZTZMDQOQ-HNNXBMFYSA-N 298.321 2.530 30 40 CFEB Nc1ccc(N/C=C2\C(=O)ON=C2c2ccccc2)cc1 6534192 LNNWIMBHQSMFIS-UVTDQMKNSA-N 279.299 2.526 30 40 CFEB COC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 421597 YXMDULXKAWPWNZ-UHFFFAOYSA-N 286.356 2.988 30 40 CFEB CCCN(C)c1ccc(C(=O)N(C)CCC#N)cc1 69627149 LZQUABSUTFBSIL-UHFFFAOYSA-N 259.353 2.518 30 40 CFEB N#Cc1cccnc1NCCc1cc(F)cc2c1OCOC2 40515818 DIYSMYARHGLZAK-UHFFFAOYSA-N 299.305 2.613 30 40 CFEB C[C@@H](CN1CCCC1=O)Nc1cc(Cl)ccc1C#N 71914501 PDSXYQVWWQVHLO-JTQLQIEISA-N 277.755 2.634 30 40 CFEB Cc1[nH]c(=S)c(C#N)c(-c2ccco2)c1C(=O)N(C)C 12475801 PCDKYPPLWKROQV-UHFFFAOYSA-N 287.344 2.886 30 40 CFEB CCc1nc(CN(C)c2nnc(C)c(C)c2C#N)cs1 49056466 ZFCLKYAZFSXSGX-UHFFFAOYSA-N 287.392 2.620 30 40 CFEB C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(C#N)cc1 6291371 XBZDKQAINJAUKP-TZMCWYRMSA-N 298.342 2.785 30 40 CFEB C=CCNC(=O)c1ccc(F)cc1Br 19506143 WWAOVJPYYZMNOR-UHFFFAOYSA-N 258.090 2.504 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2cccc(F)c2)c1 4904747 JWRFJEPTHLAXRV-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB Cc1csc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 7196016 ARFJHSWHNLUCHC-GWCFXTLKSA-N 297.449 2.987 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1 7166580 IZALCPGDVVZDPF-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB N#Cc1ccc(NC[C@@H]2CCc3ccccc3N2)nc1 78495559 HQEBAXPLCQESFJ-AWEZNQCLSA-N 264.332 2.792 30 40 CFEB CSc1cccc(-c2c(C#N)c(N)nc3c2CNCC3)c1 72134654 QSUCWRODBSYHII-UHFFFAOYSA-N 296.399 2.570 30 40 CFEB CO[C@@]1(C)C[C@@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1(C)C 332061407 YBPAGOBCYINCEH-VLXAULBPSA-N 293.411 2.524 30 40 CFEB C=CCN1C(=O)C2(CCCCC2)N[C@@H]1c1nc(C)cs1 95403395 JMJANKORTDYOEK-LBPRGKRZSA-N 291.420 2.771 30 40 CFEB C=CCNc1nn(-c2cccc(C(F)(F)F)c2)nc1C#N 256047363 MCGBDBONEALREN-UHFFFAOYSA-N 293.252 2.756 30 40 CFEB CCCCCCCCCNC(=O)C(=O)NCc1ccco1 298135778 ZFJXVONSDFNIGG-UHFFFAOYSA-N 294.395 2.763 30 40 CFEB N#CC1(C(=O)Nc2cccc(Br)c2)CC1 28899312 XJITYPPQRSYISG-UHFFFAOYSA-N 265.110 2.691 30 40 CFEB COc1ccc(-c2nnc(S[C@@H](C)C#N)o2)cc1OC 5019404 HBOFNXHDDOASMU-QMMMGPOBSA-N 291.332 2.758 30 40 CFEB COc1ccc(Cl)cc1NC(=O)C1(C#N)CC1 156821697 XHIGUZOPZTYKSC-UHFFFAOYSA-N 250.685 2.591 30 40 CFEB N#Cc1ccc(CNc2ccc(C#N)nc2)c(F)c1 81006064 YECYYEZQOURBQF-UHFFFAOYSA-N 252.252 2.576 30 40 CFEB Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 40462626 AGUPKKXSRAQOBT-MRXNPFEDSA-N 279.343 2.874 30 40 CFEB Nc1nonc1NC1=CC(=O)C[C@H](/C=C/c2ccccc2)C1 100903288 AVJVLVVPHJKCFF-NNNHXZLVSA-N 296.330 2.640 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1cnn(C(C)C)c1 58462040 NRHNOMLMQNSADU-GZTJUZNOSA-N 286.335 2.998 30 40 CFEB Cc1ccccc1NC(=O)CSc1ncccc1C#N 7051361 YGMQCQZZPWBGHL-UHFFFAOYSA-N 283.356 2.993 30 40 CFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccccc1 78517581 KBVRFZQLBYZEDN-UHFFFAOYSA-N 280.393 2.637 30 40 CFEB CSc1nc2c(-c3ccccc3)cnn2c(N)c1C#N 215881821 HZNMYLFDVWARCQ-UHFFFAOYSA-N 281.344 2.572 30 40 CFEB CCOc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 72331661 DUKOLSSABXWXRS-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB CN1CC[C@H](Nc2ccc(C#N)nc2)[C@H]1c1ccccc1 225599725 RFFAENLKMKGDHP-DLBZAZTESA-N 278.359 2.811 30 40 CFEB N#Cc1c(Cl)nc(C(F)(F)F)c2c1CCOC2 96509696 UHQSEHVRRRWTBN-UHFFFAOYSA-N 262.618 2.698 30 40 CFEB CN1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100537 MWSHMUZMGMGNMB-SFHVURJKSA-N 297.402 2.649 30 40 CFEB CC(C)(S)CNCCSC(=O)c1ccccc1 5008938 ZFWJTGCTOYYUDF-UHFFFAOYSA-N 269.435 2.858 30 40 CFEB CC(C)(C)C(=O)[C@H]1C[C@@H](C#N)[C@H]2c3ccccc3C=NN21 5112156 SESLBGVVYHWEEQ-CFVMTHIKSA-N 281.359 2.904 30 40 CFEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2 100723820 SUHTUPXNWQUHMA-LZWOXQAQSA-N 265.421 2.818 30 40 CFEB Cc1cc(C)nc(SCC(=O)Nc2ccccc2C#N)n1 52011 ULJDOYDLXUOWTK-UHFFFAOYSA-N 298.371 2.696 30 40 CFEB C=CCn1c2ccc(C)cc2c2nnc(S)nc21 406823 TUVOMVISUNOJRE-UHFFFAOYSA-N 256.334 2.763 30 40 CFEB CC(/C=C\c1ccc(Cl)cc1)=N\NC(N)=S 8655487 COWAKOZXZREIGT-ZHDIWNJTSA-N 253.758 2.562 30 40 CFEB CCn1c(SCCCC#N)nc2ccccc2c1=O 9450823 GLVZKTGMUOLPHP-UHFFFAOYSA-N 273.361 2.812 30 40 CFEB CC1CCN(c2nnc(S[C@@H](C)C#N)n2C2CC2)CC1 11985549 ZRGZDZOZWYLUSW-NSHDSACASA-N 291.424 2.853 30 40 CFEB Cc1ccccc1CC(=O)N(CC#N)C1CCCC1 71914696 AWKHSJNYLWBIMY-UHFFFAOYSA-N 256.349 2.832 30 40 CFEB N#Cc1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1 14264859 OUYMRPDKEYOKNZ-UHFFFAOYSA-N 297.358 2.703 30 40 CFEB Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(C#N)cn2)n1 72276480 XWYQUWSEKVOFLI-MRXNPFEDSA-N 295.390 2.826 30 40 CFEB C#CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 89261542 NNVPZOKHKYZRMH-OAHLLOKOSA-N 293.322 2.910 30 40 CFEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\C(=O)c1ccccc1 31760239 WUPBHEFJISKVQN-UKTHLTGXSA-N 294.266 2.813 30 40 CFEB O=[N+]([O-])c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 83328262 HCJNPFBSKRVERC-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB C[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)s1 195561291 RHZITJPNGJJSFI-VHSXEESVSA-N 299.827 2.813 30 40 CFEB Cc1ccc(C)c(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)c1 225235930 IQUXIKTYSCMPHY-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB Cc1cccc(OC2CCN(c3ccc(C#N)cn3)CC2)n1 96502635 CWOUYPSFVHGXGR-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB C=CCN(CC=C)C(=O)c1ccc2oc(C)nc2c1 348100107 YAPWAWOODKDSLJ-UHFFFAOYSA-N 256.305 2.950 30 40 CFEB COc1ccc(S[C@H](C)C(=O)N(CC#N)C2CC2)cc1 49425894 LQIJGUHNIWSKLC-LLVKDONJSA-N 290.388 2.690 30 40 CFEB O=C1Nc2ccccc2/C1=C/C(=O)c1cccs1 548351 DTQVSLRQCBCDCV-NTMALXAHSA-N 255.298 2.967 30 40 CFEB CCCCCCCS(=O)(=O)CCCCC(=O)O 1600678 SNOZXICHQXCLJC-UHFFFAOYSA-N 264.387 2.627 30 40 CFEB Cc1nnc(S)n1/N=C/c1ccc(C(C)C)cc1 5410247 CNZGRNZJBWALQZ-RIYZIHGNSA-N 260.366 2.881 30 40 CFEB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)cc1 2726648 BDPKZPASXFWTHY-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB CC(C)(C)OC(=O)NCc1ccc(F)c(C#N)c1 75927840 HEDMPZQMCNKDNT-UHFFFAOYSA-N 250.273 2.722 30 40 CFEB Cc1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1C 100216167 SMVRHKYDZHCVRV-VXLYETTFSA-N 282.343 2.918 30 40 CFEB N#CCCCCCCn1cnc2c(=S)[nH]cnc21 1561626 VXACZARRCRNPNT-UHFFFAOYSA-N 261.354 2.963 30 40 CFEB COc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1 200343 UVQAEEMEHSTEEJ-UHFFFAOYSA-N 299.330 2.734 30 40 CFEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C 2620302 ZMTRYWGVKFRBQT-UHFFFAOYSA-N 268.316 2.775 30 40 CFEB CCN1CCN(/C(S)=N/[C@H](C)c2ccccc2)CC1 8687092 BLBKFRTWFWPMQO-CYBMUJFWSA-N 277.437 2.671 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)COc2ccccc2)n1 3212242 BNFWBCPDJKMFLR-LBPRGKRZSA-N 272.329 2.707 30 40 CFEB C[C@H](O)c1cccc(NC(=O)COc2ccccc2C#N)c1 12894659 XZQQCJJYBZCUPX-LBPRGKRZSA-N 296.326 2.629 30 40 CFEB N#C[C@H](NC(=O)c1ccc[nH]1)c1cccc(Cl)c1 69844646 ZDFQOHHYOQAYFK-LBPRGKRZSA-N 259.696 2.663 30 40 CFEB C#CCN(C(=O)c1scnc1C)C1CCCCC1 65778084 IQHHLGVVUDIAAQ-UHFFFAOYSA-N 262.378 2.860 30 40 CFEB CC[C@@H](CO)N/C(C)=C/C(=O)c1ccc(Cl)cc1 6652302 UGNLKUHUVHSITK-FROQITRMSA-N 267.756 2.787 30 40 CFEB COc1ccccc1[C@@H](C#N)C(=O)c1ccccn1 575442754 VEYVKVWKUNWDJV-GFCCVEGCSA-N 252.273 2.580 30 40 CFEB C=CCO/N=C1\C[C@H]2[C@@H](C[C@@]1(C)N(C)C)C2(C)C 4424650 KDOWIRPIALEFSJ-SNCYWBTKSA-N 250.386 2.931 30 40 CFEB COc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])cn1 24992665 VYLLRRXWIBHFTD-UHFFFAOYSA-N 271.232 2.662 30 40 CFEB N#CC1(c2ccccc2)CCN(c2ccncn2)CC1 2086866249 XFFWNIIYAMRAIS-UHFFFAOYSA-N 264.332 2.538 30 40 CFEB C=C1CCC(NC(=O)c2ccc3nsnc3c2)CC1 618257605 ZDFMISRRVBHLHG-UHFFFAOYSA-N 273.361 2.920 30 40 CFEB C#CCn1nc2c3c(cccc3c1=O)-c1ccccc1-2 2595668 HLAPNTZNZXXUBV-UHFFFAOYSA-N 258.280 2.677 30 40 CFEB O=C(CC/[N+]([O-])=C/c1ccccc1)OCc1ccccc1 1859181 HYRXKVXKQWJTBV-AQTBWJFISA-N 283.327 2.749 30 40 CFEB N#Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 6880841 BDGWYXFUBNGJGM-UHFFFAOYSA-N 294.310 2.511 30 40 CFEB Cc1cccc(C)c1NC(=O)CN(C)c1ncccc1C#N 22090501 RJXOEAMBHSSJDZ-UHFFFAOYSA-N 294.358 2.645 30 40 CFEB CCCOc1ccc2ccccc2c1/C=N/NC(N)=S 409007887 RHQUVNBGQHTCGX-LICLKQGHSA-N 287.388 2.796 30 40 CFEB C(=N/Nc1ccccc1)\c1ccc2c(c1)OCCO2 5446528 PCAAYBGXAVECRJ-LFIBNONCSA-N 254.289 2.904 30 40 CFEB COc1cc(Br)ccc1CCCN(C)CC#N 96009692 GLYOIGINDWTDAL-UHFFFAOYSA-N 297.196 2.846 30 40 CFEB N#Cc1cccnc1N1CCCN(Cc2ccccc2)CC1 71873530 SGHBAZNNKBNCIK-UHFFFAOYSA-N 292.386 2.666 30 40 CFEB Cc1nscc1/C(O)=N/S(=O)(=O)[C@H](C)CC(C)C 97138789 ABVFPSDEDUVIMV-MRVPVSSYSA-N 290.410 2.521 30 40 CFEB C#CCCCCC(=O)Nc1ccc(C(=O)NC)cc1Cl 97101424 KPCHTIAZRHPTCT-UHFFFAOYSA-N 292.766 2.832 30 40 CFEB Cc1cc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)no1 73455032 AJOJFQSMGJFWII-CYBMUJFWSA-N 289.722 2.560 30 40 CFEB CC[C@H](C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 77302406 DNNWUTZYPFHFCR-OTIXFSKASA-N 266.257 2.947 30 40 CFEB in-vitro COC(=O)c1occc1COc1ccc(C#N)c(F)c1 96430189 XFBNVAOVMWUXKV-UHFFFAOYSA-N 275.235 2.656 30 40 CFEB CCCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OC 96193654 HUIMHZUPCLSKMF-WQLSENKSSA-N 275.304 2.800 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H](C#N)C2)C1 260812991 UDWXJBGBCPVEAE-FZMZJTMJSA-N 250.342 2.937 30 40 CFEB C=CCOc1ccc(Cl)cc1/C=N/c1nnc[nH]1 6192682 HZRDBCAWESTMLA-VGOFMYFVSA-N 262.700 2.774 30 40 CFEB Cn1/c(=N/N=C\c2ccccc2O)sc2ccccc21 4725830 WKRBHMHVMBAGSH-JBUZCALFSA-N 283.356 2.880 30 40 CFEB Cc1ccncc1C/N=C\c1cccc([N+](=O)[O-])c1 104050067 WRCZGLXWWHHZIJ-PXNMLYILSA-N 255.277 2.917 30 40 CFEB O=C1CCCC2=C1C(=O)C[C@@H]1c3ccccc3CCN21 518969 DUGPXYUBYPNCEU-CQSZACIVSA-N 267.328 2.566 30 40 CFEB biogenic N#C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CCCC1 106867717 BGBNOJMPDYCFDL-PWNZVWSESA-N 288.391 2.580 30 40 CFEB N#Cc1c(F)cccc1NC1CCN(CC(F)F)CC1 57857466 MSJZASVVIXCEKM-UHFFFAOYSA-N 283.297 2.839 30 40 CFEB CN1C(=O)CS/C1=N\c1cccc(C(F)(F)F)c1 48513458 UOEGMKVMBNUAAF-GDNBJRDFSA-N 274.267 2.898 30 40 CFEB CC[C@](Cl)(C#N)[C@@H](c1ccccc1)N1CCOCC1 20458659 JGSIPKUUXKQROQ-CABCVRRESA-N 278.783 2.971 30 40 CFEB Cn1c(/C=N/Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 4786095 XXBMOXOEQXSJOQ-MHWRWJLKSA-N 295.302 2.928 30 40 CFEB N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 7405427 VTSCWAZDZQAXOB-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CC[C@@H](C)NC(=O)COc1ccc(C#N)cc1Cl 7856455 OSTQWUQSKAVEIT-SECBINFHSA-N 266.728 2.505 30 40 CFEB C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1cccc(C#N)c1 7937906 ISKGVPIPDYYUFK-STQMWFEESA-N 298.342 2.785 30 40 CFEB Cc1cccnc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 9367706 HYYWTHNWWLOBKO-LBPRGKRZSA-N 281.315 2.668 30 40 CFEB Cc1nc(C(=O)N(CC(F)(F)F)C2CCC2)ccc1C#N 75104624 ZLCXORPFLNWGLY-UHFFFAOYSA-N 297.280 2.819 30 40 CFEB CC1(C)OB(c2cc3c(F)cccc3o2)OC1(C)C 307457230 YYVQBZSYZNELHT-UHFFFAOYSA-N 262.089 2.871 30 40 CFEB CC(C)N(Cc1ccccc1C#N)C1CCOCC1 77323455 LBFJALGVKUBYSP-UHFFFAOYSA-N 258.365 2.948 30 40 CFEB C=CCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1 73640399 HYXUIJFVCCLDAY-UHFFFAOYSA-N 273.288 2.880 30 40 CFEB CC(NC1CCCC1)=C1C(=O)c2ccccc2C1=O 100699295 NDBXGVWNTUNDMX-UHFFFAOYSA-N 255.317 2.872 30 40 CFEB Cc1[nH]c2ccccc2c1CC[n+]1cccc(C#N)c1 1584660 HLGLMUQMAAMHAH-UHFFFAOYSA-N 262.336 2.878 30 40 CFEB CCOC(=O)/C(C)=N\Nc1ccc(Br)cc1 4738230 GLSYARFJOAOUKJ-JYRVWZFOSA-N 285.141 2.800 30 40 CFEB CN(C)/C=N/c1c(C#N)cnn1-c1nc2ccccc2s1 101899697 HESTXZQQCHZQCN-CXUHLZMHSA-N 296.359 2.575 30 40 CFEB CCCCCCCCc1n[nH]c(SCC(=O)O)n1 103528188 FDISRECMFCLEMI-UHFFFAOYSA-N 271.386 2.884 30 40 CFEB O=C(COc1cccc(/C=N\O)c1)Nc1ccccc1F 105210174 YFWMKCBWBBCYGI-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1C 60463464 HSFWYUFEJDMKHD-INIZCTEOSA-N 273.380 2.770 30 40 CFEB CCOCC1CCN(CCOc2cccc(C#N)c2)CC1 71904344 UOQPTPASZLEBOJ-UHFFFAOYSA-N 288.391 2.686 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)/C=C/c1ccccc1OC(F)F 58342130 BJCLOACISPERKU-AEZGRPFRSA-N 294.301 2.919 30 40 CFEB C=CCOc1cccc(NC(=S)NCCCOCC)c1 63790954 DSXREQUDZGCDMW-UHFFFAOYSA-N 294.420 2.964 30 40 CFEB C[C@@H](CC#N)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 66831277 OUUJVLSPNHKJFD-ZDUSSCGKSA-N 295.390 2.953 30 40 CFEB CCCCSc1nc(O)c(C(=O)OCC)cc1C#N 8829602 FJBIVLWGQIEJOO-UHFFFAOYSA-N 280.349 2.728 30 40 CFEB C=CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1 9569114 FNPMYEVNNHTPFJ-UHFFFAOYSA-N 280.335 2.705 30 40 CFEB CC(=O)Nc1ccc([S@@](=O)CCC(C)(C)C#N)cc1 123326445 NETJATJEZCPUOO-LJQANCHMSA-N 278.377 2.692 30 40 CFEB NC(=S)N/N=C\c1ccc2oc3ccccc3c2c1 33731523 SWTRTKBZOVCPSB-PXNMLYILSA-N 269.329 2.753 30 40 CFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CCC1 32891741 QIXCBAUCBNDYJY-UHFFFAOYSA-N 281.277 2.973 30 40 CFEB COc1cccc(COc2nn(C(C)C)c(N)c2C#N)c1 225831713 OJJASRJCBKABJZ-UHFFFAOYSA-N 286.335 2.505 30 40 CFEB Cc1ccccc1-c1cc(N2CCOCC2)ncc1C#N 90568219 UVHWTUYCOIGIDH-UHFFFAOYSA-N 279.343 2.765 30 40 CFEB N#CCCN(C[C@@H]1CCOC1)C(=O)OCc1ccccc1 96404884 WSRYGSJAGZIDFM-HNNXBMFYSA-N 288.347 2.575 30 40 CFEB CC(C)Cc1c(C#N)c(Cl)nc2c1COCC2 96511120 PDAAOEQEQZLMDA-UHFFFAOYSA-N 250.729 2.878 30 40 CFEB OC(N=C1CN2CCC1CC2)=C1C=C[C](Cl)C=C1 1560410786 NTZRJAAIIFPASA-UHFFFAOYSA-N 263.748 2.819 30 40 CFEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 16677466 QIESSCZYAMITEQ-FVDZZMQGSA-N 294.354 2.526 30 40 CFEB O=C(/C=C\c1ccccc1O)c1ccc(O)cc1O 17197643 MACMAADVRVVHBD-YVMONPNESA-N 256.257 2.700 30 40 CFEB in-vitro COc1ccc(NC(=O)c2ccccc2SCC#N)cn1 21706951 XEPUMJQUBCJUKB-UHFFFAOYSA-N 299.355 2.958 30 40 CFEB C=CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 1565550114 PYCQLVFJKCGLIP-IVSAIRAKSA-N 275.392 2.925 30 40 CFEB C/C(=C\C(=O)c1ccc(C)o1)Nc1ccccc1C(N)=O 409359826 NRPCETDUBCRFFS-MDZDMXLPSA-N 284.315 2.886 30 40 CFEB Cc1ccc(-c2ccsc2/C(O)=N/S(C)(=O)=O)cc1 48480160 KXYLSEDGODXGJF-UHFFFAOYSA-N 295.385 2.988 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 49276210 DMDBGMZUQLNXEU-QMMMGPOBSA-N 285.246 2.538 30 40 CFEB CC[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C)on1 14018357 FNQNJLZWALWYCO-LBPRGKRZSA-N 285.303 2.651 30 40 CFEB C=CCN(C(=O)c1cnc2[nH]nc(C)c2c1)C1CCCC1 65576218 ATLKCNBEPOLZBL-UHFFFAOYSA-N 284.363 2.837 30 40 CFEB N#Cc1cccc(NC(=O)COc2ccc(F)cc2)c1 5456409 XBKWXFIEGBJZRJ-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CC(=O)C(=Cc1cccc(OC(F)F)c1)C(C)=O 5495247 XRMUCJNDDPBJME-UHFFFAOYSA-N 254.232 2.849 30 40 CFEB COc1cccc(Cn2c(C)c(C)c(C#N)c2N)c1 6668597 HCRKNYVGNARRFE-UHFFFAOYSA-N 255.321 2.616 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncccc1C#N 7051883 PZTXFCULOFPNGV-WCQYABFASA-N 289.404 2.740 30 40 CFEB COc1ccc(CNCc2ccc(C#N)cc2)cc1 19909118 DKPVYUMMGFSILJ-UHFFFAOYSA-N 252.317 2.857 30 40 CFEB C/C=C(\C)C(=O)[C@H](C#N)c1nc2ccccc2n1C 84136198 DDCATXUJHSUQPK-INJWIWPUSA-N 253.305 2.716 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@](C=O)(c2cccc(F)c2)C1 72233644 MGXSYAJZOZWKIC-INIZCTEOSA-N 293.338 2.903 30 40 CFEB CC[C@@H](C#N)NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165954 JLEAVFSIPIJKMT-INIZCTEOSA-N 299.418 2.707 30 40 CFEB C[C@@H](CC(=O)NC1(C#N)CC1)Cc1cccc(F)c1 73727497 YPBPAMSAAFYVBT-LLVKDONJSA-N 260.312 2.567 30 40 CFEB CC(C)c1nn(Cc2ccc(F)cc2)c(N)c1C#N 225842388 JNCAEEILNBSHDL-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB N#Cc1ccc(Br)cc1N1CCCC1 95081338 LFYDMWPNRLTEKP-UHFFFAOYSA-N 251.127 2.921 30 40 CFEB N#Cc1cccc(-c2ncnn2CC2(O)CCCCC2)c1 95404045 UXKVKJJOZBAFSV-UHFFFAOYSA-N 282.347 2.512 30 40 CFEB C=CCn1c(C)nnc1SCc1noc(CC(C)C)n1 43074910 FHRDOBAPTDCLQX-UHFFFAOYSA-N 293.396 2.646 30 40 CFEB CCN(C)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 68226323 AYXOSEOZUCMEGK-UHFFFAOYSA-N 299.418 2.838 30 40 CFEB CC(=O)/C(=C/c1ccco1)C(=O)Nc1ccccc1 5601747 XLBHGSCFAYDXNH-UVTDQMKNSA-N 255.273 2.891 30 40 CFEB C=C(C(=O)O)[C@@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@H]2C1 35457718 IBJRJSQUSVUUDO-XFMPKHEZSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro O=C(/C=C\NCC(=O)c1ccccc1)c1ccccc1 100431964 PEMFVEMHQGCMCZ-QXMHVHEDSA-N 265.312 2.856 30 40 CFEB CNc1ccccc1C(=O)Nc1ccccc1C#N 6247610 UYMWWANPMSZNPS-UHFFFAOYSA-N 251.289 2.852 30 40 CFEB COC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C 1382958 QMQUEZCRIVKCFV-UHFFFAOYSA-N 268.272 2.841 30 40 CFEB N#CCCCN1CCN(Cc2ccc(Cl)s2)CC1 49967915 WQVBKQAOWJRGTO-UHFFFAOYSA-N 283.828 2.823 30 40 CFEB CCCSc1nc(O)c(C#N)c(-c2ccco2)n1 8988366 ITBHHAYAPZNYGF-UHFFFAOYSA-N 261.306 2.816 30 40 CFEB Cn1cccc1/C=C1/S/C(=N\c2cccc(O)c2)NC1=O 5902906 OWYGVHQQZVAPGO-UKTHLTGXSA-N 299.355 2.622 30 40 CFEB CCc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 306596388 VFECAFVAMXUETN-UHFFFAOYSA-N 250.122 2.687 30 40 CFEB C#CCN1C(=O)S/C(=C/C=C/c2ccco2)C1=O 408917187 OLKCCQCZXXIXTE-RBMCBPMHSA-N 259.286 2.505 30 40 CFEB Cn1cnc2cc(C(=O)Nc3cccc(C#N)c3)ccc21 74705700 UWINDYWNXULXTF-UHFFFAOYSA-N 276.299 2.697 30 40 CFEB CC(C)c1cc(C#N)n(Cc2ccc(C(=O)O)o2)c1 78404779 QMONYPHJIVETCQ-UHFFFAOYSA-N 258.277 2.823 30 40 CFEB COc1ccccc1CN1C(=O)/C(=N\O)c2c(C)cccc21 46085137 NUSYIAKFPLZEGO-VLGSPTGOSA-N 296.326 2.729 30 40 CFEB C=C[C@@H]1OCC[C@H]1/N=C(/O)c1cnn(CCC(C)C)c1C 331311534 HQLMQFUDBPUGOK-CABCVRRESA-N 291.395 2.886 30 40 CFEB Cc1cc(C(O)=Nc2cnc(C)s2)c(N)c([N+](=O)[O-])c1 330033169 WVBWNVFNWFFVNE-UHFFFAOYSA-N 292.320 2.887 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccoc1)C2 96049998 GTISTFXHHJIWPK-QGZVFWFLSA-N 288.391 2.813 30 40 CFEB C#CC[C@@](C)(O)c1cc(Br)c(F)cc1OC 575447616 JKYTUTXSWYOOON-GFCCVEGCSA-N 287.128 2.828 30 40 CFEB Cc1c(F)cc(C#N)cc1I 169798102 VCZXSJWQCWMGKA-UHFFFAOYSA-N 261.037 2.610 30 40 CFEB C=C1C[C@@H](C)O[C@@H](c2ccccc2OCC(=O)O)C1 2097822 AIRCXKPETFMLRX-BXUZGUMPSA-N 262.305 2.946 30 40 CFEB biogenic N#CC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 61584805 ZXRDGLHZFNGETR-UHFFFAOYSA-N 272.323 2.619 30 40 CFEB C#CCn1/c(=N/C(=O)CCC)sc2cccc(OC)c21 100910377 JGEZWXPTZNCXCA-NXVVXOECSA-N 288.372 2.572 30 40 CFEB N#Cc1ccccc1C(=O)[C@H]1CC[C@H](C(=O)O)CC1 100449744 ODZQOFOBOVVXCF-PHIMTYICSA-N 257.289 2.632 30 40 CFEB C[C@@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@@H]1C=O 8655636 VCAXJIXICNMVTC-BPLDGKMQSA-N 273.332 2.693 30 40 CFEB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 2635692 VEWOLQGBXUAYNV-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccccc1 100993139 RJFRVDNNCXDYOO-UHFFFAOYSA-N 262.353 2.712 30 40 CFEB N#Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(N)c1 107273453 SJPFIQKCENIIHT-UHFFFAOYSA-N 296.349 2.606 30 40 CFEB O=C/C(=N\Nc1ccccc1)C(=O)c1cccs1 100020439 NXYDNXYTPGXDLJ-RVDMUPIBSA-N 258.302 2.598 30 40 CFEB Oc1cccc(/C=N\NC(=S)Nc2ccc(F)cc2)c1 56682318 VKFBDNBNJJAAKU-SXGWCWSVSA-N 289.335 2.852 30 40 CFEB N#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 7956160 JPCJEMMMYXJMSX-HNNXBMFYSA-N 264.284 2.500 30 40 CFEB N#Cc1cccc(NC(=O)c2cncn2-c2ccccc2)c1 7990587 OLHFNMSTDICMSG-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB Cc1cc(C)n(Cc2cccc(C(=O)N(C)CCC#N)c2)n1 69774024 XUYHUWPKGMXCLI-UHFFFAOYSA-N 296.374 2.534 30 40 CFEB C/C(=N/OCC(=O)NCc1ccccc1)c1cccs1 4147295 RQBWMASLHCMNKC-ATVHPVEESA-N 288.372 2.805 30 40 CFEB CC1(C)Cc2nc(N3CCCCC3)c(C#N)cc2CO1 13800104 ZADYSTCVRPQFES-UHFFFAOYSA-N 271.364 2.795 30 40 CFEB Cc1cc(/C=N/NC(=S)NC(C)C)c(C)n1CC(C)C 6299859 QLNWCDPNMXGGJH-LZYBPNLTSA-N 294.468 2.967 30 40 CFEB C=CCNc1cnn(-c2ccc(F)cc2)c(=O)c1Cl 5631266 DBDQCZKFCIAVOA-UHFFFAOYSA-N 279.702 2.623 30 40 CFEB N#Cc1ccc(COC(=O)c2cnc3ccccc3n2)cc1 6787357 BQJBKEPHJVTQRS-UHFFFAOYSA-N 289.294 2.858 30 40 CFEB N#Cc1ccccc1CN1CCCC[C@@H]1Cn1cccn1 71875199 PLUTVQFLZMALJN-QGZVFWFLSA-N 280.375 2.809 30 40 CFEB N#Cc1cc(F)c(N[C@@H](CO)c2ccccc2)c(F)c1 78850390 STHQMKOZHOBCEK-AWEZNQCLSA-N 274.270 2.982 30 40 CFEB Cc1cc(C(F)(F)F)c(C#N)c(SCCN(C)C)n1 192137219 PEILNUSOPBTQGO-UHFFFAOYSA-N 289.326 2.934 30 40 CFEB CCSC1(CNc2ccc(C#N)cn2)CCOCC1 96420990 MHNBNPHHBZRWIG-UHFFFAOYSA-N 277.393 2.667 30 40 CFEB O=c1[nH]c(Cl)c(C=NNc2ccccc2)s1 245228645 AOAYMJFCNMGWFR-UHFFFAOYSA-N 253.714 2.536 30 40 CFEB COc1ccccc1/C=C\C(=O)c1ccccc(=O)c1O 5518691 KDSKWCHQBAORCF-KHPPLWFESA-N 282.295 2.657 30 40 CFEB N#Cc1ccc(F)c(COC(=O)c2cccc(O)c2)c1 11297841 GSFZGTXIPPIVKZ-UHFFFAOYSA-N 271.247 2.760 30 40 CFEB CCn1cc(/C=C(\C(=O)c2ccccc2)[N+](=O)[O-])c(C)n1 6490206 IZSDDEGGBAPSDI-NTEUORMPSA-N 285.303 2.712 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@@H](C)c2ccccc2)c1 23901773 VSGOWQLMBQOICP-AWEZNQCLSA-N 278.355 2.957 30 40 CFEB COC(=O)c1ccc(CN(C)Cc2cccc(C#N)c2)o1 26324656 KXJKEHOHOVPKMN-UHFFFAOYSA-N 284.315 2.570 30 40 CFEB CN(C)CC#CCC1(O)c2ccccc2-c2ccccc21 1835299 LIBHRLXUVWJUNX-UHFFFAOYSA-N 277.367 2.858 30 40 CFEB C#Cc1cccc(NC(=O)CN(C)Cc2scnc2C)c1 92143801 FWELVTAHBQJHNC-UHFFFAOYSA-N 299.399 2.503 30 40 CFEB Cc1ccc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)o1 89818503 JBXWWPCYYWWKGS-UHFFFAOYSA-N 295.342 2.915 30 40 CFEB N#CCNC(=O)CSc1ccc(Cl)c(Cl)c1 96430244 VVLDDHPOZHCKJF-UHFFFAOYSA-N 275.160 2.725 30 40 CFEB CC(C)c1cc(CSc2nc(N)c(C#N)cc2C#N)no1 1505840545 PZDDSTMYTRBZNY-UHFFFAOYSA-N 299.359 2.811 30 40 CFEB N#Cc1cccc(NC(=O)CSC(F)(F)F)c1 33148785 YMTGBOFIEPTOSR-UHFFFAOYSA-N 260.240 2.750 30 40 CFEB Cc1ccnc(N2CCC[C@H]2[C@@H]2CCCOC2)c1C#N 521867271 HDZWCVRJSSGWPF-HIFRSBDPSA-N 271.364 2.657 30 40 CFEB N#Cc1ccnc(N[C@H](CCO)C2CCCCC2)c1 283773736 PGDUJPDASFIFKB-CQSZACIVSA-N 259.353 2.696 30 40 CFEB Cc1ccccc1NC(=O)COc1ccccc1/C=N\O 137789928 KPHRMFXUBJOLAW-YVLHZVERSA-N 284.315 2.821 30 40 CFEB Cc1cc(C)c(C#N)c(SCCCC(=O)N(C)C)n1 191471756 VNHJSOWGDGDTNV-UHFFFAOYSA-N 277.393 2.531 30 40 CFEB CCOC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1 5672306 CJCKUZXBKYXVGF-UHFFFAOYSA-N 294.310 2.987 30 40 CFEB O=C(O)COc1ccc(/C=N/c2ccccc2)cc1 166329656 NRPWJHNBLJQSKY-MHWRWJLKSA-N 255.273 2.901 30 40 CFEB Cc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(C)c2O)cc1 6426557 PCGMMJGFYYSNKW-ISLYRVAYSA-N 282.303 2.995 30 40 CFEB COc1ccc(/C=C2C(=N\O)/C3CCN/2CC3)cc1 100619617 GPVWFCAJCLWTPF-DFVJNAGBSA-N 258.321 2.592 30 40 CFEB COc1ccc(Cl)cc1C(=O)N[C@](C)(C#N)C1CC1 9639391 NQLCQBBVNZBHCX-CQSZACIVSA-N 278.739 2.771 30 40 CFEB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 3388435 CAEZCKVDMJGTOI-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB C=C(C)CNC(=S)NCc1ccc(Cl)cc1 6022346 WXJSXLFRMBCKQL-UHFFFAOYSA-N 254.786 2.880 30 40 CFEB N#C[C@H](Cc1cccnc1)C(=O)Nc1ccc(F)cc1 419723 VXBFQJQGSPMOFB-LBPRGKRZSA-N 269.279 2.542 30 40 CFEB CC#C[P@](=O)(OC)[C@@](O)(CF)c1ccccc1 547946 JOUKWMOMHKSHCK-SJCJKPOMSA-N 256.213 2.707 30 40 CFEB CC1=C(C)C[C@H]2C(=O)C([C@H](O)CC(C)C)=CC(=O)[C@@H]2C1 104197146 KWNHRELNXGRZAG-UMVBOHGHSA-N 276.376 2.834 30 40 CFEB Cc1nnc(N2CCC(OCC(C)C)CC2)c(C#N)c1C 54124233 VFVLPTCQVKAUAP-UHFFFAOYSA-N 288.395 2.607 30 40 CFEB N#Cc1ccccc1CO/N=C/c1ccc([N+](=O)[O-])o1 22352849 NCDNMXKFQKBZAZ-OVCLIPMQSA-N 271.232 2.610 30 40 CFEB N#Cc1cnc(NC(=O)c2ccc(Br)o2)s1 56908292 WLMQSOPBGSVFLJ-UHFFFAOYSA-N 298.121 2.623 30 40 CFEB CN(C)c1ccc(/N=N/c2nc(C#N)c(C#N)[nH]2)cc1 4817944 QSRCBBLHYGSTCI-VHEBQXMUSA-N 265.280 2.634 30 40 CFEB N#Cc1ccccc1OCC(=O)c1ccccc1F 4959222 MVTIIIHRQXUTPP-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB N#Cc1ccsc1NC(=O)c1cc(Cl)ccn1 7989578 MJSWGSUWRBELEB-UHFFFAOYSA-N 263.709 2.920 30 40 CFEB N#CCCCCN(C[C@H](O)c1ccccc1)C1CC1 71910721 HQKGFZGKNQEQEY-INIZCTEOSA-N 258.365 2.878 30 40 CFEB N#CCc1c(F)cc(Br)c(F)c1F 2243331 LXGFPWJMVPICIR-UHFFFAOYSA-N 250.017 2.932 30 40 CFEB biogenic c1ccc(/N=N\C(=N\Nc2nnn[nH]2)c2ccccc2)cc1 45952234 CMGSWPMEQNAYSM-FGNGAWNESA-N 292.306 2.757 30 40 CFEB O=[N+]([O-])c1cccc(/N=C\c2cc([N+](=O)[O-])ccc2O)c1 95938570 FGXDZXGCBPLPOT-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB CC1CCC(O)(Cn2ncnc2-c2cccc(C#N)c2)CC1 96435847 VUWOWSSHXGGDAI-UHFFFAOYSA-N 296.374 2.758 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc(F)cc1)C2 253371690 CASBRTUZLBYMRN-LXZKKBNFSA-N 289.350 2.560 30 40 CFEB Cn1ccc(COc2nc(C(C)(C)C)ccc2C#N)n1 585140818 JTSFOXKDSMEZOW-UHFFFAOYSA-N 270.336 2.563 30 40 CFEB N#CCN(C(=O)c1ccc(Br)cc1)C1CC1 57576135 SQIIRSBGQCWTIT-UHFFFAOYSA-N 279.137 2.577 30 40 CFEB N#Cc1ccc(Cl)c(NC(=O)COCC(F)(F)F)c1 88228680 FLWPBMJZQFBSAE-UHFFFAOYSA-N 292.644 2.729 30 40 CFEB CC1=CC[C@@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC1=O 1772591878 SXUCLMYZAREXCX-ABAIWWIYSA-N 266.337 2.618 30 40 CFEB Cc1cc2c(cc3c(=O)n(CCCC#N)nc(C)n32)s1 13565483 HBKCNLSMBJFOCN-UHFFFAOYSA-N 286.360 2.631 30 40 CFEB NC(=S)N/N=C(\c1ccccc1)c1ccccc1Cl 16450747 UJRSFURKKYXWNB-GHRIWEEISA-N 289.791 2.926 30 40 CFEB Cc1c(/C=C/C(=O)c2ccc(O)cc2)cc(C#N)n1C 7718026 PSEJFIFETBIJDK-VMPITWQZSA-N 266.300 2.807 30 40 CFEB CC(C)Cc1nc(CN(C)Cc2cccc(C#N)c2)no1 45915235 OWNKYRVVZZHKRG-UHFFFAOYSA-N 284.363 2.772 30 40 CFEB C=C1C[C@@H](OC(C)=O)/C=C(\C)CC[C@@H](C(C)(C)O)C[C@H]1O 8655499 WAGDOKQHNWIHJF-DCOVWZKVSA-N 296.407 2.743 30 40 CFEB O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1n1nnc2cc(Cl)ccc21 100988730 GJTZQDROJDHRIM-SKOQQPQZSA-N 276.727 2.886 30 40 CFEB CCCCCCCC(=O)NN1C(=O)[C@@H]2CCCC[C@H]2C1=O 100980662 STWNBRBUMQKVSW-CHWSQXEVSA-N 294.395 2.553 30 40 CFEB CC(C)(CO)/N=C\c1cc(Cl)cc(Cl)c1O 104094016 JYHCRFQXADYFFS-RZNTYIFUSA-N 262.136 2.889 30 40 CFEB NC(=O)C(/N=N\c1ccccc1)=N/Nc1ccccc1 102874615 NOGZBQFGZUFPOF-YNYPCVJTSA-N 267.292 2.681 30 40 CFEB CC(=O)Nc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 5367296 MDBKITNTRIDIIT-UHFFFAOYSA-N 294.310 2.874 30 40 CFEB C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1 83859160 OLJJLFVSFJKIIM-HNNXBMFYSA-N 275.348 2.502 30 40 CFEB C=C1CCC[C@]2(C)CC[C@@](O)(C(=C)C(=O)O)C[C@@H]12 31165792 WQMBCGHXXVLQTE-CFVMTHIKSA-N 250.338 2.905 30 40 CFEB biogenic,in-vitro Cc1ccc2c(c1)[C@@H](CC#N)C(=O)N2Cc1ncc(C)o1 218811434 QVRLJCNBZBNOSR-GFCCVEGCSA-N 281.315 2.836 30 40 CFEB C=CCN(CC=C)C(=O)CCc1c(C)nn(CC)c1C 72240498 OYWFBTFISSDEBF-UHFFFAOYSA-N 275.396 2.653 30 40 CFEB Cc1cc(N2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)cn1 585088799 BQOHDLLFRSGUOV-AWEZNQCLSA-N 293.374 2.744 30 40 CFEB COCCOc1ccc(Oc2ccncc2C#N)cc1 685937780 QZVBHFUVPZKOOI-UHFFFAOYSA-N 270.288 2.771 30 40 CFEB Cc1cc(C)c2c(c1)C(=O)/C(=C\c1csnn1)CO2 48986052 YBSXQCHZAVDXJH-YHYXMXQVSA-N 272.329 2.814 30 40 CFEB CN1/C(=C/C=N/N=C(\N)S)C(C)(C)c2ccccc21 5422820 OUCGHHBRDRHMIP-IGXSASHASA-N 274.393 2.528 30 40 CFEB CCOc1ncccc1NC(=O)c1ccc(C#N)cc1 27587305 LNBVLEDSFWWBHG-UHFFFAOYSA-N 267.288 2.604 30 40 CFEB CCOC(=O)[C@H](C)Sc1nc(C)c(C(C)=O)cc1C#N 495527 AGCGTUGETPJQDZ-JTQLQIEISA-N 292.360 2.508 30 40 CFEB CSc1nnc(C(F)F)n1/N=C/c1ccc(F)cc1 2788861 QFPGYQAVULQQKO-GIDUJCDVSA-N 286.282 2.959 30 40 CFEB N#C[C@H]1[C@H]2CC[C@@H]([C@H]3[C@H]2N=NN3c2ccccc2)[C@H]1C#N 100437095 XSPAFQYQNRLWMV-RDGWLKQMSA-N 277.331 2.930 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C/c2ccc(C(C)(C)C)cc2)n1 12586218 VIAKYFARAJZLNS-LICLKQGHSA-N 284.363 2.822 30 40 CFEB N#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 57628542 VMJBRGLXYWDYOS-UHFFFAOYSA-N 298.795 2.797 30 40 CFEB N#CCN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 27055206 SSKUFIAZQXLRDI-CYBMUJFWSA-N 258.321 2.508 30 40 CFEB N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 10752660 YWGUHLNWUXGOBK-MRXNPFEDSA-N 298.367 2.524 30 40 CFEB C#CCNC(=O)CN(C1CC1)[C@@H](C)c1ccccc1Cl 48375241 LRRHRRUJZHWPMF-LBPRGKRZSA-N 290.794 2.615 30 40 CFEB CC(C)Cc1noc(COc2ccccc2C#N)n1 48356164 AHULNNJYLRMRTM-UHFFFAOYSA-N 257.293 2.719 30 40 CFEB C=C(Cl)CN1CCC(NC(=O)c2ccoc2C)CC1 67229985 NVIDTYGKYCJVPZ-UHFFFAOYSA-N 282.771 2.535 30 40 CFEB Cc1ccc(/C=N/Nc2ccc(C(=O)O)cn2)cc1 67321035 ITZLEZJDIPBZBI-LZYBPNLTSA-N 255.277 2.534 30 40 CFEB C=CCNC(=O)c1nnsc1-c1ccc(Cl)cc1 72242938 MOYLEHPKASDSBQ-UHFFFAOYSA-N 279.752 2.774 30 40 CFEB Cn1cc([C@H]2CCCN2c2cccc(F)c2C#N)cn1 71797091 DFDTXLLZDMDLDR-CQSZACIVSA-N 270.311 2.772 30 40 CFEB CNC(=NCc1cccc(COc2ccccc2)c1)NC 97000527 WBDBSKNSGFBCMW-UHFFFAOYSA-N 283.375 2.560 30 40 CFEB CC[C@H](C[C@@H](C)CO)Nc1cccc(F)c1C#N 76084118 CRDMMSJXANOKRF-GHMZBOCLSA-N 250.317 2.906 30 40 CFEB C=CCNc1ncc(-c2ccncc2)c([C@@H]2CCCO2)n1 72398162 DTEDQVSYHUJFHH-AWEZNQCLSA-N 282.347 2.988 30 40 CFEB CCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 97941782 RKZPKXHTMXUNHG-BARDWOONSA-N 293.407 2.986 30 40 CFEB COc1ccc(/N=C2\OC(=O)c3ccccc32)cc1 17157776 VAYDKYQRXSBABZ-PEZBUJJGSA-N 253.257 2.944 30 40 CFEB COc1cccc(/C=C2\CC[C@H](CN(C)C)C2=O)c1 17198777 QXCONXOZKDRDML-KADHNRKRSA-N 259.349 2.619 30 40 CFEB N/N=C(\c1ccc(Cl)cc1)c1ccccc1C(=O)O 5583189 MRRTWUNJWQQZSK-GHRIWEEISA-N 274.707 2.749 30 40 CFEB CC1(C)OB(C2=CC[C@@]3(CCOC3)C2)OC1(C)C 953001813 IICFARSLGHXVQJ-CQSZACIVSA-N 250.147 2.745 30 40 CFEB CN(C)[C@H](CNCc1cccc(C#N)c1)c1ccccc1 20093911 MGKTXDIDKWJTMI-GOSISDBHSA-N 279.387 2.951 30 40 CFEB C[C@@H](O)CNc1nc(-c2ccco2)c2c(c1C#N)CCCC2 20588910 KPMUFVAKGKTWFY-LLVKDONJSA-N 297.358 2.885 30 40 CFEB CCCc1nc(NCCCO)c(C#N)c2c1CCCC2 20827306 GDHGMSPIRPLQDO-UHFFFAOYSA-N 273.380 2.579 30 40 CFEB CC1=C(C)C[C@@H]2C(=O)C([C@H](O)CC(C)C)=CC(=O)[C@H]2C1 104197152 KWNHRELNXGRZAG-KCQAQPDRSA-N 276.376 2.834 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 55514569 OUUAKWSFPVVVQU-INIZCTEOSA-N 277.327 2.931 30 40 CFEB C/C(NC(=O)c1cccs1)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 2310778 BTGZWBYRCPGBLS-PPZQOGLRSA-N 275.373 2.997 30 40 CFEB C[C@@](N)(C#N)CCCSc1nc2ccccc2o1 45365106 BODYCWBRYRWOBR-ZDUSSCGKSA-N 261.350 2.941 30 40 CFEB in-vitro CCN1CCC(N(C)C(=O)Nc2ccc(C#N)cc2)CC1 12972282 OFJDWXQNCASVIH-UHFFFAOYSA-N 286.379 2.506 30 40 CFEB CC(C)c1nc(NCCN(C)C)c(C#N)c2c1CCCC2 6758665 FRDHOQJEPVFEQN-UHFFFAOYSA-N 286.423 2.929 30 40 CFEB N#C[C@H](C(=O)COc1ccccc1)c1nc2ccccc2[nH]1 4864051 WCABLBGOQIPNGG-CYBMUJFWSA-N 291.310 2.818 30 40 CFEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1O 408811184 MGRVPSXWKSZRJI-WQLSENKSSA-N 275.329 2.787 30 40 CFEB Cc1cnn(C[C@H]2CCCN2Cc2cccc(C#N)c2)c1 70038851 HOFCUYOSDRYZIG-QGZVFWFLSA-N 280.375 2.728 30 40 CFEB CC[C@@](C)(C#N)NC(=O)/C=C(\C)c1ccccc1OC 96257471 WWBVIUFWABWUJC-TYZQSYOASA-N 272.348 2.907 30 40 CFEB CC/N=C(\NCc1ccccc1)NCc1ccco1 71804037 OJMRYRMTJYHSKD-UHFFFAOYSA-N 257.337 2.535 30 40 CFEB N#Cc1c(Cl)nc(-c2ccccc2)c(C#N)c1N 85409255 JMVMBYUMTLLMEU-UHFFFAOYSA-N 254.680 2.728 30 40 CFEB C=CCNC(=O)N1CCc2sccc2[C@@H]1CC 42925704 MIIIIHNIMDNENJ-NSHDSACASA-N 250.367 2.953 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1ccccc1C 225873695 XMLRDPQCQWMSSJ-UHFFFAOYSA-N 255.321 2.697 30 40 CFEB CC(C)[C@@]12C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1O2 242538731 JDPPCJDVUVFIMG-SUNKGSAMSA-N 255.358 2.809 30 40 CFEB O=C[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 169802201 QNFXFNPKFBPSAA-LBPRGKRZSA-N 257.255 2.640 30 40 CFEB O=c1ccnc(N/N=C/c2ccc(Cl)cc2Cl)[nH]1 4158589 DUGVODDHYKEXGW-GIDUJCDVSA-N 283.118 2.523 30 40 CFEB C=CCOc1ccc(Br)cc1/C=N/O 8579713 QUXREYUICQSXSX-KPKJPENVSA-N 256.099 2.822 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c(C)c1 103717630 BJMLZZQUGCYTMJ-CQSZACIVSA-N 293.326 2.660 30 40 CFEB N#CC1(NC(=O)CN2CCCCCC2)CCCCCC1 22841346 GWCRXBBXFBAJJQ-UHFFFAOYSA-N 277.412 2.595 30 40 CFEB CCCOc1ccc(/C(C)=N/O)cc1CN1CCOCC1 26953018 UVYZIEORZQYCLF-GHRIWEEISA-N 292.379 2.506 30 40 CFEB Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1 58195689 WKFWNPJGXDNTIH-UHFFFAOYSA-N 282.347 2.809 30 40 CFEB Cc1ccccc1S(=O)(=O)/N=C(\O)CC[C@H]1CCCO1 48426734 YUMQHJCUQYYEPU-GFCCVEGCSA-N 297.376 2.599 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1ccc(-c2cnco2)cc1 49424646 OBKFPFVMXTUCMW-NSHDSACASA-N 269.304 2.573 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2nc(C)cs2)cc1 6234676 FOBPBYZBBCECJF-VGOFMYFVSA-N 275.333 2.684 30 40 CFEB C#C[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 80393288 HOADNVCLQOXMPE-ZETCQYMHSA-N 298.092 2.536 30 40 CFEB Cn1cc(/C=C2/CSc3c(F)cccc3C2=O)cn1 96837135 TYGJFZVXODTWLM-YHYXMXQVSA-N 274.320 2.931 30 40 CFEB CCn1ncc(-c2c(C#N)c(N)nc3c2CCCCC3)c1C 19840797 ULCUSKZPLGJXCA-UHFFFAOYSA-N 295.390 2.996 30 40 CFEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 20637350 BNBOVZDOQNBGRD-IUODEOHRSA-N 288.310 2.718 30 40 CFEB COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)CC#N 97081847 NBKGMANGJXRWBS-NSHDSACASA-N 287.146 2.663 30 40 CFEB N#CC1(NC(=O)c2cc(-c3ccc(F)cc3)on2)CCC1 95416848 UAMGHTIQJJNGEB-UHFFFAOYSA-N 285.278 2.657 30 40 CFEB Cc1ccc(CCN(CC#N)C[C@@H]2CCCO2)cc1 76000188 WSISPJRSGSYBOK-INIZCTEOSA-N 258.365 2.542 30 40 CFEB C=C(Br)CN1CCN(CC(F)F)[C@@H](CC)C1 95980461 WXIHQNUSOQWRSA-JTQLQIEISA-N 297.187 2.556 30 40 CFEB C#CCn1cc(-c2ccccc2Br)cn1 85393801 KSXJAWUOLBOBLM-UHFFFAOYSA-N 261.122 2.946 30 40 CFEB COc1ccc(CN(C)c2nc(C)ccc2C#N)cc1O 195576780 AAOYDZDBGXRJNF-UHFFFAOYSA-N 283.331 2.612 30 40 CFEB O=S(=O)(OCC(F)(F)F)c1ccc(Cl)cc1 20281694 MHVDUCOUNUZZMF-UHFFFAOYSA-N 274.647 2.608 30 40 CFEB Cc1cccc(C/N=C(/N)Nc2ccc3c(c2)CCC3)n1 252499997 SLNYGONOBUANMQ-UHFFFAOYSA-N 280.375 2.806 30 40 CFEB N#Cc1ccc(Cn2c(=O)oc3ccccc32)c(F)c1 14376867 OYJHHDHEYSRXIZ-UHFFFAOYSA-N 268.247 2.654 30 40 CFEB O=C(NC1CCCCC1)O/N=C\c1ccc2c(c1)OCO2 5663083 IRQJZBRTSODFRX-SXGWCWSVSA-N 290.319 2.808 30 40 CFEB N#CCN(CC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 16385368 SXSYGUISWNYCOC-UHFFFAOYSA-N 283.118 2.874 30 40 CFEB CSc1nsc(N/N=C/c2cccc(O)c2)c1C#N 4482121 TYRHZCKBTCXAEO-VGOFMYFVSA-N 290.373 2.888 30 40 CFEB COc1cc(CNc2ccc(C#N)cn2)cc(OC)c1OC 40024866 KKAQIPNNFUSLKC-UHFFFAOYSA-N 299.330 2.591 30 40 CFEB COc1ccc(/C=N\Nc2ccccn2)cc1OC 31667580 WEVXWRHMOLCJHK-YBEGLDIGSA-N 257.293 2.545 30 40 CFEB COc1ccc(CCNc2ccc(C#N)cc2N)cc1OC 107275279 XRKXSGKTUVIWRY-UHFFFAOYSA-N 297.358 2.812 30 40 CFEB O=C(O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1O 59475087 XZPJSAZEDVDQSL-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB N#CC1(C(=O)Nc2cccc(-c3nnco3)c2)CCCC1 24737889 DSKRYRIPKSYRLU-UHFFFAOYSA-N 282.303 2.759 30 40 CFEB C#Cc1cccc(NC(=O)c2cn3c(C)cccc3n2)c1 25959781 OFJWQXZFDIDDEP-UHFFFAOYSA-N 275.311 2.876 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccc(C(=O)OC)cc1 58217341 SIEKIBRGVUWREW-UHFFFAOYSA-N 261.321 2.511 30 40 CFEB N#CCc1nn(Cc2ccc(F)cc2)c(=O)c2ccccc12 6243859 QNECWPVSGTZAHT-UHFFFAOYSA-N 293.301 2.650 30 40 CFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1F 18115032 KBFVBGYNIKCGIM-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB CC[C@@](C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)[C@H](C)O 97145299 LCXMNNZSFKMLEK-HZMBPMFUSA-N 277.324 2.675 30 40 CFEB CC(C)[C@H](Nc1ccc(F)cc1C#N)C(=O)N1CCCC1 95431096 OUYCHFZJGOHNCW-HNNXBMFYSA-N 289.354 2.756 30 40 CFEB Cc1c(C#N)cccc1NC(=O)CCC(=O)OC(C)(C)C 192343567 QJHTYUOKWFRNNF-UHFFFAOYSA-N 288.347 2.927 30 40 CFEB COc1ccc(OC)c([C@@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095970 TVLGZKBCUVOGKQ-JOYOIKCWSA-N 292.253 2.723 30 40 CFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43O)[C@H]1CCC2=O 253617341 RVUDOXUDSXVAEV-IFCWYPFCSA-N 286.371 2.588 30 40 CFEB CCOC(=O)C(=O)[C@@H](C#N)c1cccc2ccccc12 2048676 IOESGSLKJQUCQW-AWEZNQCLSA-N 267.284 2.579 30 40 CFEB CC(C)(C)/N=C1\NC(=O)N(C(C)(C)C)[C@H]1NC(C)(C)C 19958499 NMNFONWSEMOPKM-LLVKDONJSA-N 282.432 2.721 30 40 CFEB N#Cc1cccc(COc2ccc(CC(=O)O)cc2)c1 13421616 JHDXQFPKJDYFOU-UHFFFAOYSA-N 267.284 2.764 30 40 CFEB CN(c1ccccc1F)S(=O)(=O)c1cccc(C#N)c1 50009226 MELLRFISQHOTPW-UHFFFAOYSA-N 290.319 2.522 30 40 CFEB N#Cc1cccc(C(=O)c2ccc(CN3CCC3)cc2)c1 2514607 AKNIRVPDJPUYET-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB Cc1cc(C)nc(SCC(=O)Nc2cccc(C#N)c2)n1 13001759 KPKSVYUKKBRJNP-UHFFFAOYSA-N 298.371 2.696 30 40 CFEB Cc1ccc(C(=O)/C(=N\N)c2ccc(C)cc2)cc1 16291488 VHYVIHRQIHHMFV-SDXDJHTJSA-N 252.317 2.849 30 40 CFEB CCC[C@@H](C#N)NC(=O)/C=C/c1cn(C)c2ccccc12 96430816 HCHUZNIAIHSWES-HBWSCVEGSA-N 281.359 3.000 30 40 CFEB C=C(Br)CN1CCN(C)CC12CCCCC2 83881674 JSJJVWYNRIIWNE-UHFFFAOYSA-N 287.245 2.845 30 40 CFEB CC(=O)c1c(C)cc(C)c(Cn2cnc(C#N)c2C#N)c1C 97050342 TUSCEKMXLBMWHD-UHFFFAOYSA-N 292.342 2.803 30 40 CFEB Cc1c(CNc2nnc(C(C)C)s2)cc(C#N)n1C 95992284 ALZILEGDUWUVDS-UHFFFAOYSA-N 275.381 2.792 30 40 CFEB N#Cc1cc(C#N)c(SCc2ccc(F)cc2)nc1N 39335010 YVKOOLFMDDXWKF-UHFFFAOYSA-N 284.319 2.839 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(C)c(N)c2)o1 73640366 PDCCEXJIZDSROA-UHFFFAOYSA-N 255.273 2.627 30 40 CFEB C=CCNC(=O)c1ccc(OCC)c(COCC)c1 224692210 LHZDOHXYHAOMQN-UHFFFAOYSA-N 263.337 2.538 30 40 CFEB CCc1nnc(-n2nc(C)cc2C)n1/N=C/c1ccccc1 3152542 JIDRHKHDLASNOI-GZTJUZNOSA-N 294.362 2.525 30 40 CFEB CC(=O)C(=NNc1cccc2ccccc12)C(C)=O 5631603 LQJQRSNADIQARM-UHFFFAOYSA-N 254.289 2.786 30 40 CFEB N#Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1 32647190 NKSSCNFYNSXABN-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C(C)C 77387433 YQDNEHUOPZBGRF-AWEZNQCLSA-N 292.404 2.676 30 40 CFEB CC1=CC(=O)C=C(C)C1=NOc1ccc([N+](=O)[O-])cc1 4076415 QYAPXMBLMIBQJW-UHFFFAOYSA-N 272.260 2.805 30 40 CFEB COc1ccccc1CN(C)c1ccc(C#N)cn1 40480068 LHBDRQZEGUGZHU-UHFFFAOYSA-N 253.305 2.598 30 40 CFEB Oc1ccc(O)c([S+]2C[C@@H]3CCCC[C@H]3C2)c1 4696900 JIFZVEPPPITASM-QWRGUYRKSA-O 251.371 2.895 30 40 CFEB Cc1noc(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 41496482 NNSWVRHXJZPGON-GFCCVEGCSA-N 294.314 2.587 30 40 CFEB C=C(C)CN(CC)Cc1ccc(O)c([N+](=O)[O-])c1 23280836 OVJSXYOJNKQLKO-UHFFFAOYSA-N 250.298 2.698 30 40 CFEB N#CC1(C(=O)NCc2ccccc2OC(F)F)CCCC1 54819875 WARJTLITHXRJMY-UHFFFAOYSA-N 294.301 2.988 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CCC(=O)c1cccs1 58229562 QXSNFAHWLONUPC-LLVKDONJSA-N 278.377 2.719 30 40 CFEB O=C(/C=N/NC(=S)NCc1ccccc1)c1ccccc1 3229098 AABNYGBMERGPKM-LDADJPATSA-N 297.383 2.519 30 40 CFEB CCNC(=S)N(CCC#N)c1ccc(C)c(C)c1 3504107 WIERRPXVMFQLBJ-UHFFFAOYSA-N 261.394 2.918 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1ccc(OCC2CC2)cc1 69513701 NAPMXSPPTUXLHS-AWEZNQCLSA-N 272.348 2.897 30 40 CFEB O=C(ONc1ccccc1[N+](=O)[O-])c1ccccc1 4127812 ZKBOXUSMRXPJKW-UHFFFAOYSA-N 258.233 2.779 30 40 CFEB CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccccc1 4510909 MALHXLNOTJYWPD-UHFFFAOYSA-N 296.374 2.946 30 40 CFEB C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 36613630 URWUTYVDNFLCBQ-UHFFFAOYSA-N 297.284 2.802 30 40 CFEB CCN(/C(O)=N/CC1=CCCOC1)[C@@H]1CCOC(C)(C)C1 329738424 MUUFPSSZSCDHHX-CQSZACIVSA-N 296.411 2.527 30 40 CFEB N#Cc1c(N2CCCC2)nsc1-c1cccnc1 46088252 ROXKEGCYRJCBJY-UHFFFAOYSA-N 256.334 2.677 30 40 CFEB C[C@@H](c1ccsc1)N1CCN(CCCC#N)CC1 97378925 UYGWJOHQFJBBOE-ZDUSSCGKSA-N 263.410 2.730 30 40 CFEB COc1cccc(/C=C2\C(=O)ON=C2C)c1OC(C)C 96193685 XAPYIDGOHMLMTJ-WQLSENKSSA-N 275.304 2.799 30 40 CFEB CCc1ccc([C@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc1 82703 FDRLCEIYHTVQMM-HNNXBMFYSA-N 280.331 2.781 30 40 CFEB C[C@H](C#N)CNC(=O)Cn1ccc2ccc(Cl)cc21 69617101 AHQWOLXRUNIACF-SNVBAGLBSA-N 275.739 2.571 30 40 CFEB C=CCCCCCCCC[C@]1(C)NC(=O)NC1=O 1661257 PBCLBMFVAOPKGC-AWEZNQCLSA-N 252.358 2.891 30 40 CFEB N#Cc1cccc(CNCCc2ccc3c(c2)OCCO3)c1 20827480 DNCSRXFUPNHDJV-UHFFFAOYSA-N 294.354 2.662 30 40 CFEB CC[C@@H]1CCCCN1C(=S)N/N=C(/C)c1ccccn1 6002212 MZACWVULBYILQW-KAECEXQPSA-N 290.436 2.945 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=O)[C@@H](C#N)[C@@H]2c1ccccc1 493823 NGUXDLYFLLKSTH-WFASDCNBSA-N 294.354 2.683 30 40 CFEB Cc1cc(C)cc(N(C)CC(=O)N[C@](C)(C#N)C2CC2)c1 54291112 QMOQRLNOFRMAIU-QGZVFWFLSA-N 285.391 2.548 30 40 CFEB O=C(OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 103543071 MTSOMQACIQLZKS-UHFFFAOYSA-N 296.060 2.925 30 40 CFEB N#Cc1cc(F)ccc1NCc1ccc(-n2cncn2)cc1 91432187 BUWJPWSXLDWNBK-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB C=CCNC(=S)Nc1cnn(Cc2ccccc2F)c1 13331011 LXHGPZJEOSZGJQ-UHFFFAOYSA-N 290.367 2.543 30 40 CFEB CC(C)(Sc1nc2c(cc1C#N)CCCC2)C(=O)O 4624633 OLIWTKWBZNGGHN-UHFFFAOYSA-N 276.361 2.787 30 40 CFEB N#CC1(NC(=O)COc2ccccc2Cl)CCCC1 7168058 RVVTZGDWBDGUHZ-UHFFFAOYSA-N 278.739 2.671 30 40 CFEB CC[C@H](C)N(C(=O)c1ccc(C#N)cn1)[C@H](C)CC 97148331 UBHDSUSXVAGIDK-TXEJJXNPSA-N 259.353 2.992 30 40 CFEB CC[C@H](C)NC(=O)[C@@H](Sc1cc(C#N)ccn1)C(C)C 77909055 GOSXGFUFYURSRR-FZMZJTMJSA-N 291.420 2.985 30 40 CFEB O/C(=N\c1nnc(-c2cccnc2)s1)C(F)(F)F 40311739 QFOODAVZRHBRQN-UHFFFAOYSA-N 274.227 2.750 30 40 CFEB CCOC(=O)c1ncc(C(F)(F)F)c(C#N)c1Cl 43827522 RSZKROQMMAUQIZ-UHFFFAOYSA-N 278.617 2.802 30 40 CFEB CS[C@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1 98010347 SMUQGLFTKQJWIJ-KGLIPLIRSA-N 274.389 2.962 30 40 CFEB CC(=O)O/N=C(\C)[C@@]12CCCC[C@@H]1[C@H](O)CCC2 5053087 HOSUPCYVHWYJGB-MBSLAJMZSA-N 253.342 2.647 30 40 CFEB C/C(=C/C(=N/N=C(N)N)c1ccccc1)c1ccccc1 5178990 WKPRTJBTWLBDOQ-VOQSRDMCSA-N 278.359 2.768 30 40 CFEB N#Cc1ccc(OCCOc2ccccc2C(=O)O)cc1 37207150 INPSSWQJGAWUAF-UHFFFAOYSA-N 283.283 2.714 30 40 CFEB COc1ccccc1CCNc1ccc(C#N)cn1 40024831 NGBVHEBHDPNSEG-UHFFFAOYSA-N 253.305 2.616 30 40 CFEB C=CCN(CC=C)C(=O)c1cc(OC)cc(OC)c1 288328 GMVUPSLXSDBWPE-UHFFFAOYSA-N 261.321 2.518 30 40 CFEB CC(=O)/C(=C\C=C/c1ccccc1)C(=O)CCN(C)C 8659520 XZEKQJUFHQLGSM-MDKZIDAVSA-N 271.360 2.736 30 40 CFEB C=CCNC(=O)CSCc1ccccc1Cl 57683970 QSBPGHYKTWZPNT-UHFFFAOYSA-N 255.770 2.875 30 40 CFEB COc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1O 16718957 MXCFFIZRYGVUHS-VGOFMYFVSA-N 284.267 2.723 30 40 CFEB CCOC(=O)N/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100364363 APACOMOGYGDSLN-OHZSCMDDSA-N 251.326 2.642 30 40 CFEB N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 13012351 DNQWEIAIBREQDG-QGZVFWFLSA-N 292.338 2.772 30 40 CFEB N#Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)nc1=O 13111874 OJLBPYXICVIGMG-UHFFFAOYSA-N 273.295 2.976 30 40 CFEB aggregator CCn1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409071773 LISNMNTWQJNYDM-CXUHLZMHSA-N 287.323 2.874 30 40 CFEB CCN(CC#N)C(=O)CSc1ccc(Cl)cc1 68241611 MWXVCZUPEVFYIY-UHFFFAOYSA-N 268.769 2.804 30 40 CFEB CCOC(=O)c1nccc(-c2ccccc2)c1C#N 80943367 BIFWETVABGZJTE-UHFFFAOYSA-N 252.273 2.797 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1 97163308 ICTHVHSBCKUHEH-GFCCVEGCSA-N 299.334 2.859 30 40 CFEB COc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1OC 95095942 PMXYAHPASOAYKV-JOYOIKCWSA-N 292.253 2.723 30 40 CFEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(O)cc1 96401263 XTCMDBASRWJUTL-LDADJPATSA-N 299.399 2.781 30 40 CFEB N#Cc1ccc(OCCOCC(F)F)c(Cl)c1 225438874 YCISJVDWEMYRJN-UHFFFAOYSA-N 261.655 2.872 30 40 CFEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc[nH]1 17044951 XFJBSZPKBQAPJU-ZSOIEALJSA-N 289.251 2.667 30 40 CFEB CN(C)C(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 6335291 FVPYWFIXZZDMET-UHFFFAOYSA-N 293.326 2.512 30 40 CFEB Cc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)n1 25105235 FECQLBFFJYKWNG-UHFFFAOYSA-N 265.316 2.534 30 40 CFEB COC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1 4275675 OYTZXAUXDVTAAY-UHFFFAOYSA-N 286.312 2.659 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)CCO2 107720676 AOTHCJBWQBOKDI-KFWWJZLASA-N 279.405 2.683 30 40 CFEB Cn1cc(-c2nc(COc3ccccc3C#N)cs2)cn1 47171253 CEHYCVLOKXGCAB-UHFFFAOYSA-N 296.355 2.994 30 40 CFEB CCOC(=O)N1CCC(Nc2cccc(F)c2C#N)CC1 26227154 JQQHFYSGTNUJJM-UHFFFAOYSA-N 291.326 2.730 30 40 CFEB COc1cccc(C(=O)Nc2sccc2C#N)c1 3260375 QFACBIKVWQVWBW-UHFFFAOYSA-N 258.302 2.881 30 40 CFEB Cc1cc(C(=O)Nc2ccc(C#N)cc2)c2c(C)noc2n1 12735657 XHQQRBKIWZGRIH-UHFFFAOYSA-N 292.298 2.964 30 40 CFEB CON(C)C(=O)c1ccccc1-c1ccccc1C#N 49250786 RFDWGRQQICQCCZ-UHFFFAOYSA-N 266.300 2.859 30 40 CFEB C[C@H](NC1CCCCC1)C(=O)Nc1cccc(C#N)c1 6284964 PDFRCKDBGODEKF-LBPRGKRZSA-N 271.364 2.808 30 40 CFEB Cc1ccc(/C(=C\C(=O)C(F)(F)F)NN(C)C)cc1 4673231 DPLFJOFTMVDGHW-DHZHZOJOSA-N 272.270 2.534 30 40 CFEB CC(=O)c1c(N)c(C#N)cn1-c1cccc(Cl)c1 6857163 KUPACMQFOWNOFY-UHFFFAOYSA-N 259.696 2.787 30 40 CFEB COc1ccc(CNc2ncccc2C#N)cc1OC 15209151 IYNDPFIPAKYHOU-UHFFFAOYSA-N 269.304 2.583 30 40 CFEB C=C(C)CN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96455916 RSIXTHJJTOATBO-ZDUSSCGKSA-N 286.297 2.572 30 40 CFEB C[C@H](OC(=O)c1cc(C#N)cn1C)c1nc2ccccc2o1 97081459 YYFBCRUEZSZVTE-JTQLQIEISA-N 295.298 2.956 30 40 CFEB C[C@@H](C#N)CNc1ncnc2ccc(Br)cc12 72307612 CFOGHZXVWRYVER-QMMMGPOBSA-N 291.152 2.964 30 40 CFEB N#Cc1ccc(N[C@@H]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 84340820 QVGAYUQWMFDPAI-QWHCGFSZSA-N 289.335 2.820 30 40 CFEB CCOC(=O)CCNc1ccc(C#N)cc1Br 213346031 XKNGTIBYLSCBEW-UHFFFAOYSA-N 297.152 2.686 30 40 CFEB CC[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccncc1 96439194 UURYETMJBRZISC-INIZCTEOSA-N 294.358 2.904 30 40 CFEB N#Cc1cccnc1NCCNc1ccc(Cl)cn1 96453619 QXAQMDNFLGYVKQ-UHFFFAOYSA-N 273.727 2.526 30 40 CFEB COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)F)c1 669370714 UAVPBGRBTOOFJB-UHFFFAOYSA-N 284.111 2.932 30 40 CFEB N/C(=N/N=C/CC(=O)c1ccccc1)c1ccccc1 5601184 VREDXOQHLCNZLS-LDADJPATSA-N 265.316 2.651 30 40 CFEB Cc1ccccc1[C@H]1N=C(S)NC2=C1C(=O)CCC2 2601628 CMARILCJUOSUMY-CQSZACIVSA-N 272.373 2.932 30 40 CFEB Cc1nc(O)c(C#N)c(Nc2ccc(Cl)cc2)n1 17111482 GORZEKPNVNJNAZ-UHFFFAOYSA-N 260.684 2.759 30 40 CFEB COC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C 20218919 HOXKHXCNTUCEEQ-UHFFFAOYSA-N 281.315 2.660 30 40 CFEB CCOC(=O)CSCc1c(C#N)c2ccccc2n1C 380722 WFCFLLVVGKUELW-UHFFFAOYSA-N 288.372 2.846 30 40 CFEB COCCNc1oc(/C=C/c2cccc(OC)c2)nc1C#N 8469272 FVZOXPIHZYMKBN-VOTSOKGWSA-N 299.330 2.784 30 40 CFEB CCCN(CC#N)Cc1cc(=O)oc2cc(C)ccc12 58343998 RKBFOQYSKKVVET-UHFFFAOYSA-N 270.332 2.837 30 40 CFEB N#Cc1ccsc1NS(=O)(=O)c1ccc(F)cc1 3997580 NFLUCPVPPCRVIJ-UHFFFAOYSA-N 282.321 2.560 30 40 CFEB N#Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2n2ccnc2)c1 72270820 ZJEJQLCWTGNVRM-LSDHHAIUSA-N 295.346 2.670 30 40 CFEB COC(=O)CN(Cc1ccccc1)Cc1ccccc1C#N 95369385 ODTAGFCHDAGYPF-UHFFFAOYSA-N 294.354 2.733 30 40 CFEB C#CCOc1ccc(C(=O)N(C)c2c(C)noc2C)cc1 78992061 RVMHLLHRCNNJBF-UHFFFAOYSA-N 284.315 2.580 30 40 CFEB N#Cc1c(F)cccc1C(=O)C(F)(F)Br 308781610 CZEKRHBANAKJSE-UHFFFAOYSA-N 278.027 2.868 30 40 CFEB C=C(C)COC(=O)c1ccccc1NC(=O)NC(C)C 32835970 SUZJBRIWUWFWBV-UHFFFAOYSA-N 276.336 2.949 30 40 CFEB CC(C)(CN=c1cc(C#N)nc[nH]1)c1cccc(Cl)c1 519577125 RNQKPHDADCOVBP-UHFFFAOYSA-N 286.766 2.813 30 40 CFEB Cc1nn(C)c(C)c1C(=O)OC[C@H](C#N)Cc1ccccc1 79219798 ULPHXUUNRNWQHM-HNNXBMFYSA-N 297.358 2.576 30 40 CFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC=CCC1 48541039 MQVFEXANMGFTIA-JSGCOSHPSA-N 274.364 2.500 30 40 CFEB COC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225789388 SCMYYROYNYVSOU-UHFFFAOYSA-N 290.363 2.957 30 40 CFEB CC(C)(C)n1nc(Cc2cccc(F)c2)c(C#N)c1N 225835254 XJHAXRVNWULFOK-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB Cc1ccc(C#N)c(N2CCN(c3ccccc3)CC2)n1 43398988 MWQKFENNRYDRCO-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB COc1ccc(C(=O)/C=C/[n+]2ccccc2C)cc1 98213542 BIHBGQCFYXHLBT-ZRDIBKRKSA-N 254.309 2.645 30 40 CFEB C=CC[C@@H](C)[C@@H](C)NCc1ccc(S(C)(=O)=O)cc1 96476709 WLIZSHZWRWEFHS-CHWSQXEVSA-N 281.421 2.780 30 40 CFEB CC(C)(C)OC(=O)NC/C(=N\O)c1c(F)cccc1F 599884693 SORIFDZDUMQYLQ-LICLKQGHSA-N 286.278 2.668 30 40 CFEB CC1(C)OB(c2cc3ccccc3cn2)OC1(C)C 169810163 BJQJCIUHVRCTIN-UHFFFAOYSA-N 255.126 2.534 30 40 CFEB Cc1cc(C#N)nc(N[C@@H]2CCCc3c(O)cccc32)n1 1548397585 NHLBPDYECGYJGP-CQSZACIVSA-N 280.331 2.852 30 40 CFEB C=CCSCCOCCOCCSCC=C 5377483 FRVJRLGBJGXYHY-UHFFFAOYSA-N 262.440 2.858 30 40 CFEB CN(/N=C/c1ccccc1)/C(N)=N/c1ccccc1 6371779 GXGRPHHDCSXVTP-SFQUDFHCSA-N 252.321 2.599 30 40 CFEB Cc1cccc(C(=O)O/N=C2/C[C@H](C)N(C)C[C@@H]2C)c1 3900672 WSBKLQGARDLANT-TWWIOWFMSA-N 274.364 2.868 30 40 CFEB C=CCOc1c(Cl)cc(CN[C@@H](CC)CO)cc1OC 6541100 SSFPRELBGVNMAN-LBPRGKRZSA-N 299.798 2.774 30 40 CFEB O=C1Nc2ccccc2/C1=C/C(=O)c1cccc([N+](=O)[O-])c1 547536 ZKZSJEHTKOAWLG-LCYFTJDESA-N 294.266 2.813 30 40 CFEB CS(=O)(=O)/N=C(\O)c1ccc(C2CCCCC2)cc1 42278864 KXFVQQJEENGQQQ-UHFFFAOYSA-N 281.377 2.999 30 40 CFEB C=CCn1c(CNC(=O)c2ccco2)nc2ccccc21 12323998 IMNKAYCZQFACDN-UHFFFAOYSA-N 281.315 2.745 30 40 CFEB C#CCNC(=O)[C@H](C)S[C@H](C)c1ccccc1F 56261405 BYGUTSWLUYHPGV-MNOVXSKESA-N 265.353 2.758 30 40 CFEB Cc1ccc2ncc(C#N)c(N3CCC(C(=O)O)CC3)c2c1 35537724 MOKJZFDVPJQFPQ-UHFFFAOYSA-N 295.342 2.716 30 40 CFEB Cc1nc2sc3c(c2c(=O)n1CCC#N)CC[C@@H](C)C3 12814784 DKBHWODIAMNLLB-SECBINFHSA-N 287.388 2.805 30 40 CFEB Cc1cc(C)n2nc(SCc3ccc(C#N)cc3)nc2n1 3467173 KOVSUTCTFQVFGD-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB CC(C)N/C(=N/C#N)SCc1ccc(F)cc1 18058464 SAZFRGLPJIVORK-UHFFFAOYSA-N 251.330 2.894 30 40 CFEB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C#N 9717917 MTERBWTXOBTEOT-SECBINFHSA-N 256.261 2.719 30 40 CFEB COc1ccc(S(=O)(=O)Cc2cccc(C#N)c2)cc1 75496504 LIGDOVXDSITCNH-UHFFFAOYSA-N 287.340 2.541 30 40 CFEB N#Cc1ccc(NC[C@@H]2CCC[C@H]2O)cc1Cl 72298292 LBZYLOBIZMBZCN-GXFFZTMASA-N 250.729 2.785 30 40 CFEB N/C(=N/OCCc1ccc(F)c(F)c1)c1ccccc1 95444418 NYVXEKCWCVVDEV-UHFFFAOYSA-N 276.286 2.844 30 40 CFEB C[C@@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2[nH]1 95957166 VDXNKYPZRBNSAZ-QMMMGPOBSA-N 261.712 2.853 30 40 CFEB C#CC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1 89261522 YSDXVAYPCXHEPC-MRXNPFEDSA-N 279.343 2.645 30 40 CFEB CCc1ncnc2c1CCN(Cc1cccc(C#N)c1)CC2 96255020 ZAAIASQMLWSOCV-UHFFFAOYSA-N 292.386 2.511 30 40 CFEB CC(C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCO2 69417404 JGQRPBKBKUUQTK-QGZVFWFLSA-N 286.375 2.609 30 40 CFEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1O 19550101 PKADYRONFOJIFK-UHFFFAOYSA-N 295.342 2.795 30 40 CFEB Cc1cc(C)nc(/N=C/c2cccc([N+](=O)[O-])c2)n1 5541382 REKAXXIOMFYQSA-RIYZIHGNSA-N 256.265 2.752 30 40 CFEB CCC[C@@H]1C(=O)C[C@@H](C(C)C)C(C#N)(C#N)C1(C#N)C#N 127634 GOOSRBXROIWFPI-OLZOCXBDSA-N 282.347 2.715 30 40 CFEB C#CCSc1nnc(NC(=O)Nc2ccccc2)s1 4851546 OOKOIUAGDWZDFP-UHFFFAOYSA-N 290.373 2.907 30 40 CFEB CC(C)OC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1 1649894 STLHEFVFTLZREP-UHFFFAOYSA-N 298.338 2.819 30 40 CFEB C[C@@H]1C2=C([C@@H]3CC[C@@H]2C3)[C@H](C)[C@H]2C(=O)C=CC(=O)[C@H]12 104295460 MFWXBRNFSDCQBU-AUVZTNCESA-N 256.345 2.939 30 40 CFEB Cc1cc(Cl)cc(Cl)c1CNC(=O)CC#N 59474612 JMMSLJBAJUQHBM-UHFFFAOYSA-N 257.120 2.832 30 40 CFEB C[C@](N)(C#N)CCc1ccc(Br)cc1 41323006 MOZLHXBGAIPYEG-LLVKDONJSA-N 253.143 2.623 30 40 CFEB N#Cc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1 9219181 ATFILULDJOSLDH-WQLSENKSSA-N 280.308 2.964 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccsc1)c1c(O)n[nH]c1N2 12348660 IEXZYFWCARPPQK-JTQLQIEISA-N 287.344 2.741 30 40 CFEB COc1ccccc1CN(CCO)Cc1ccccc1C#N 69350912 JOCVANFHTNIOOF-UHFFFAOYSA-N 296.370 2.561 30 40 CFEB CC1=NN(c2ccc(C(=O)N3CCC(C#N)CC3)cc2)CC1 58411717 NCFLOKADRUVLRK-UHFFFAOYSA-N 296.374 2.648 30 40 CFEB N/C(=N\O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 117578096 ZBDIFCLHIYHPRU-UHFFFAOYSA-N 281.237 2.862 30 40 CFEB N#Cc1ncc(C(F)(F)F)cc1I 39298536 BCKHBZQDSXOHTK-UHFFFAOYSA-N 298.005 2.577 30 40 CFEB CC1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 7005021 FHCWEJBABLOOKQ-ZDUSSCGKSA-N 272.348 2.584 30 40 CFEB CC(C)[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 96336583 UKGSKSSHFORURL-LBPRGKRZSA-N 296.330 2.717 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCc2ccccc2C#N)c1 71882185 GICKSQYWRBHOLY-UONOGXRCSA-N 268.364 2.803 30 40 CFEB C[C@]12C=CC(=O)C(N)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 31291771 DAKHYLIFCYPHQW-KZQROQTASA-N 297.398 2.926 30 40 CFEB investigational C=CCOc1cccc(NC(=O)CC2CCN(C)CC2)c1 216896210 XVNBTBGUJOXERW-UHFFFAOYSA-N 288.391 2.922 30 40 CFEB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 75272855 FOIRPAYCXNKQHR-LLVKDONJSA-N 295.298 2.957 30 40 CFEB COc1ccc(C[C@H](CC=O)NC(=O)OC(C)(C)C)cc1 72482011 VFSNUHRYVMWDSJ-ZDUSSCGKSA-N 293.363 2.720 30 40 CFEB Nc1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 77024203 UCAKFJMOJORULQ-UHFFFAOYSA-N 271.707 2.995 30 40 CFEB C=CCn1c(C)c(/C=N/n2cnnc2S)c2ccccc21 75278621 NVBYNGMJJPNBEG-RQZCQDPDSA-N 297.387 2.898 30 40 CFEB C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224884608 DFUUUISMKSYOIA-GFCCVEGCSA-N 259.349 2.635 30 40 CFEB CN(C(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 49374703 UVJSBKLXOFYMTP-ZIAGYGMSSA-N 266.300 2.918 30 40 CFEB CC(C)(C#N)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 96491235 JHPOIQZLAZYLAT-CHWSQXEVSA-N 292.766 2.836 30 40 CFEB C=CCOCc1cncc2c1CCN(Cc1ccccn1)C2 96059284 JEJKLQVUPRNDNL-UHFFFAOYSA-N 295.386 2.738 30 40 CFEB CCN(CCC#N)C(=O)CNc1cccc(Cl)c1F 96461788 PWMNIEUAXMEVOZ-UHFFFAOYSA-N 283.734 2.653 30 40 CFEB C[C@H](Cn1cncn1)Nc1cc(C#N)ccc1C(F)(F)F 97104590 QFVYBBFCKIMYTB-SECBINFHSA-N 295.268 2.669 30 40 CFEB C=CCN1Cc2ncc(C)n2C[C@@H]1c1ccccc1 257296220 RBTJFLAVLCFATL-OAHLLOKOSA-N 253.349 2.934 30 40 CFEB O/N=C(/Cc1ccccc1)c1ccc2c(c1)OCO2 17157866 IMPCXJKAARCZFQ-SSZFMOIBSA-N 255.273 2.836 30 40 CFEB CCCCC[C@H](/C=N\N)C(O)(C(F)(F)F)C(F)(F)F 17222893 WAESTWWBMWLUAV-CVTCKZSBSA-N 294.239 2.983 30 40 CFEB Cc1cc2c(cc1O)C1=CC(=O)[C@@H](O)C(C)(C)[C@@H]1CC2 225417079 SWKZYBLWKLLDHI-CZUORRHYSA-N 272.344 2.616 30 40 CFEB biogenic,in-vitro N#CCSc1ccccc1C(=O)Nc1cccnc1 40473803 HHPJFQLXDAIGKY-UHFFFAOYSA-N 269.329 2.950 30 40 CFEB N#Cc1nc(CSc2ccc(Cl)cc2)cnc1N 1769592 KZZCIDYKINZMEK-UHFFFAOYSA-N 276.752 2.876 30 40 CFEB COC(=O)c1sc(NC(=O)CC(C)C)c(C#N)c1C 483893 UFPNCSZJYRKZFZ-UHFFFAOYSA-N 280.349 2.699 30 40 CFEB C=C(C)CSc1nnc(-c2ccc(C)cc2)n1N 527694 VLXVERNNLJIYTD-UHFFFAOYSA-N 260.366 2.636 30 40 CFEB CC(C)NC(=O)c1ccc(C/[N+]([O-])=C\c2ccccc2)cc1 104192712 IUQXGSBEEYVTMT-UDWIEESQSA-N 296.370 2.954 30 40 CFEB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 107504802 AOTGXYPLLHMLKS-QBIMZIAESA-N 299.418 2.856 30 40 CFEB N#Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10408267 OEWFFIPZQBIQSI-UHFFFAOYSA-N 294.310 2.858 30 40 CFEB Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)OCO3)n1 12895309 GWAZFJUPDFLZBS-UHFFFAOYSA-N 281.315 2.911 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 4082188 FXKCXGBBUBCRPU-QHSBEEBCSA-N 252.354 2.985 30 40 CFEB biogenic,in-vitro COc1cc(/C=N/Nc2ccccn2)cc(OC)c1OC 5688916 MEMNVRZVHZUWNA-LICLKQGHSA-N 287.319 2.553 30 40 CFEB CC[C@H]1CN(C(=O)c2cc(C#N)cn2C)c2ccccc2O1 81548968 ZZOUYPAOMQGAQE-ZDUSSCGKSA-N 295.342 2.715 30 40 CFEB Cc1cc(C)c(C#N)c(SCc2cc(=O)c(O)co2)n1 89599258 QPCIXZABJWTLRT-UHFFFAOYSA-N 288.328 2.521 30 40 CFEB C[C@H]1CCCCN1c1c([N+](=O)[O-])cc(C#N)cc1[N+](=O)[O-] 26508687 NQMDNQGYSWIHAX-VIFPVBQESA-N 290.279 2.753 30 40 CFEB CC[C@H](CC#N)NC(=O)c1cccc2cc(O)ccc12 521396434 XCLSVEGVBMULLR-GFCCVEGCSA-N 268.316 2.967 30 40 CFEB C/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 96404657 VQOUKBUGRXSMLZ-UHFFFAOYSA-N 285.218 2.510 30 40 CFEB Clc1ccc(N/N=C\c2c[nH]c(-c3ccccc3)n2)nn1 71789877 YFPKKGPRVJWMLC-MFOYZWKCSA-N 298.737 2.966 30 40 CFEB COc1ccccc1/C=N/n1c(C)nc2ccccc2c1=O 3213324 IDNDDKKUFSCQDP-WOJGMQOQSA-N 293.326 2.596 30 40 CFEB C/C(=N\NC(=S)NCc1ccccc1)c1ccco1 5119854 GHEXCJVKXGPWFH-LFIBNONCSA-N 273.361 2.668 30 40 CFEB O=C1Nc2ncccc2C(=O)/C1=C/c1ccccc1Cl 5771246 CCEQPOMMNNXXQN-FLIBITNWSA-N 284.702 2.953 30 40 CFEB COC(=O)COc1nc(C(C)C)c2c(c1C#N)CCCC2 13691066 VBIJSNNRAZHQHF-UHFFFAOYSA-N 288.347 2.507 30 40 CFEB CCC(=O)/C(=C/c1ccccc1)C(=O)[C@@H](C)CN(C)C 1589328 VTXHZGOQYNVMSB-WZMONFQBSA-N 273.376 2.816 30 40 CFEB C#C[C@H]1CC(F)(F)CN1C(=O)OCc1ccccc1 952959478 ZXQGLKHRZSVGKH-LBPRGKRZSA-N 265.259 2.666 30 40 CFEB Cc1noc2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 6545666 GNRSZZAMGLDIFJ-CQSZACIVSA-N 281.315 2.943 30 40 CFEB Cc1cc(C(F)(F)F)c(C#N)c(N2CCCC2)n1 20387996 HHQXRYLPLVKKBC-UHFFFAOYSA-N 255.243 2.881 30 40 CFEB C=CCNS(=O)(=O)c1ccc(Cl)c(OCCC)c1 11566140 NEPRQCGXLKWPEP-UHFFFAOYSA-N 289.784 2.593 30 40 CFEB C[C@H]1CCCCN1CCCOc1cc(N)ccc1C#N 1661191 XNWLLFHGLHRWMQ-ZDUSSCGKSA-N 273.380 2.784 30 40 CFEB Cc1ccccc1NC(=O)[C@@H](C#N)Cc1cccnc1 420090 NJTZMIHDOWMIPK-CQSZACIVSA-N 265.316 2.711 30 40 CFEB O=C1CCCC2=C1[C@@H](c1cccs1)c1c(O)n[nH]c1N2 12347395 YKVPNSLETMIRBQ-LLVKDONJSA-N 287.344 2.741 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1 3223341 RSTVJXBTBDRFMR-UHFFFAOYSA-N 292.338 2.916 30 40 CFEB COc1cccc(CNCc2cccc(C#N)c2)c1 11049308 OXUOEWAZJRIMPK-UHFFFAOYSA-N 252.317 2.857 30 40 CFEB N#C[C@@H]1c2ccccc2C=NN1C(=O)c1ccccc1 5946445 GMYBIXXKSUEYNC-OAHLLOKOSA-N 261.284 2.741 30 40 CFEB Cc1c(NCc2ccco2)cc(C#N)cc1[N+](=O)[O-] 71893846 WJBFYAXCYBTGQM-UHFFFAOYSA-N 257.249 2.980 30 40 CFEB Cc1cc(C)n(C2CN(Cc3ccc(F)cc3C#N)C2)n1 71880722 IXWQGLZFQWEFMX-UHFFFAOYSA-N 284.338 2.568 30 40 CFEB CONC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 72292537 ZLGZILFXNHLOKD-UHFFFAOYSA-N 287.344 2.647 30 40 CFEB COc1ccccc1CN/N=C/c1ccccc1[N+](=O)[O-] 20761939 UFVCRQABLVVPGU-MHWRWJLKSA-N 285.303 2.727 30 40 CFEB CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1Br 85657688 IXZIMBBAFVJART-CMPLNLGQSA-N 285.137 2.626 30 40 CFEB CN(CC#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89335296 WJVUVQMRBUKMQF-JKSUJKDBSA-N 264.328 2.925 30 40 CFEB C=C[C@@H](C)OC(=O)c1cncc(Br)c1 187621662 PEAVIFVWPAUSTG-SSDOTTSWSA-N 256.099 2.575 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)[C@@H]1CC=CCC1 79102224 OZQWKHKTSCYLAP-SNVBAGLBSA-N 259.371 2.818 30 40 CFEB Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)s1 75417837 KXHAZDMHSOMYCS-UHFFFAOYSA-N 275.337 2.811 30 40 CFEB O=C(NO)c1cc(Cl)c(Br)c(Cl)c1 226289804 HKBUTWDDQJWYER-UHFFFAOYSA-N 284.924 2.875 30 40 CFEB C[C@H](Nc1ccc(C#N)nc1)[C@@H](O)c1ccc(F)cc1 195575301 XFPOPSGZQBIBBJ-ZUZCIYMTSA-N 271.295 2.626 30 40 CFEB COC(=O)c1ccccc1N(C)[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345312 YYURIHLFLZKHSU-AQPPXUSGSA-N 288.347 2.538 30 40 CFEB N#Cc1cccc(CSc2nnnn2-c2ccccc2)c1 5035293 QDUQISFOXMCWCX-UHFFFAOYSA-N 293.355 2.826 30 40 CFEB N#Cc1ccc(C(=O)OC[C@@H]2CCOc3ccccc32)[nH]1 155363816 RKMMTGLEXRWYOJ-NSHDSACASA-N 282.299 2.609 30 40 CFEB Cc1nnc(N2CCO[C@@H](c3ccccc3)C2)c(C#N)c1C 29524681 OYMLAEXNRBNJOV-MRXNPFEDSA-N 294.358 2.543 30 40 CFEB N#Cc1ccc(C(=O)Nc2cccc3nsnc23)c(F)c1 4736584 HCTRDELHGQBROV-UHFFFAOYSA-N 298.302 2.954 30 40 CFEB CN1CCc2c(-c3cccs3)nc(S)c(C#N)c2C1 4640136 XGCLINYMMSFORL-UHFFFAOYSA-N 287.413 2.958 30 40 CFEB Cc1nnc(S[C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)s1 100965826 BXTDDAZSTPNURI-CIFWJVGUSA-N 255.368 2.567 30 40 CFEB C/N=C(\NC)NCc1ccc(Oc2ccccc2OC)cc1 111994543 YKVGVYUDBAQSFL-UHFFFAOYSA-N 299.374 2.782 30 40 CFEB N#Cc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1 8308610 DQLJMADEAJISBF-UHFFFAOYSA-N 286.272 2.968 30 40 CFEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1[S@@]2=O 13686731 FVJIYGKDFSPZQX-GOSISDBHSA-N 261.346 2.820 30 40 CFEB Cc1ncc(CO)c(/C=N/c2ccccc2Cl)c1O 5110453 DUIRYPVTZRHAMH-REZTVBANSA-N 276.723 2.992 30 40 CFEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccs2)c1 6203923 GASKQYXAIIHVPL-NTEUORMPSA-N 294.401 2.677 30 40 CFEB CC[N+](C)(CC)CCC#CCC[N+](C)(CC)CC 5656994 JNTBUCIWGPNODX-UHFFFAOYSA-N 254.462 2.743 30 40 CFEB COc1ccc(C)cc1CSc1ncc(C#N)c(N)n1 7371854 MCCRWFZRRUPKBD-UHFFFAOYSA-N 286.360 2.540 30 40 CFEB C=CCOc1ccc(C(=O)O)cc1Br 7604073 YWAFFARJBVTYGN-UHFFFAOYSA-N 257.083 2.712 30 40 CFEB Cc1ccc(CCC(=O)N(C)[C@@H](C)CC#N)c(C)c1 71799974 ZRDVNIXZZXOFEJ-AWEZNQCLSA-N 258.365 2.997 30 40 CFEB CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)n1 89894014 XOFNFVRNKYTHMK-VXGBXAGGSA-N 284.319 2.671 30 40 CFEB C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc21 71976970 KYMHNIOOPFDZTO-GFCCVEGCSA-N 298.367 2.871 30 40 CFEB C#CCOc1ccccc1[C@H](C)OC(=O)C1CCOCC1 78612913 VXRQAVIYFZYBGA-ZDUSSCGKSA-N 288.343 2.729 30 40 CFEB CCn1cc(OCCCOc2cccc(C#N)c2)cn1 193555427 HIERSZCDAQQQLT-UHFFFAOYSA-N 271.320 2.623 30 40 CFEB N#Cc1cc(N)c(N2CCCCC2)n1Cc1ccccc1 225865302 NCTSDLWIQSEVFX-UHFFFAOYSA-N 280.375 2.981 30 40 CFEB O=C(Nc1ccccc1)[C@]12C=C1C(=NO)c1ccccc1O2 604938311 JEVOHVSEDXBGND-KRWDZBQOSA-N 292.294 2.575 30 40 CFEB CC[C@@](C)(O)CN(Cc1ccccc1)c1cnc(C#N)cn1 190396585 MSPAASDBQPVDQS-QGZVFWFLSA-N 296.374 2.516 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C\c1ccncc1 1247654 OMFCAACFAWWMLF-YBEGLDIGSA-N 287.392 2.892 30 40 CFEB COc1c(Br)cc(Cl)cc1/C=N/O 11994261 VDLOIKWSBBVIKK-NYYWCZLTSA-N 264.506 2.919 30 40 CFEB C=CCn1ncc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1C 19554440 UGDBCOZNPYYOPH-SJORKVTESA-N 289.423 2.505 30 40 CFEB CC(=O)O/N=C(/C)[C@@]12CCCC[C@@H]1[C@H](O)CCC2 5412567 HOSUPCYVHWYJGB-OVAQYOPYSA-N 253.342 2.647 30 40 CFEB COc1ccc(CCNCC#Cc2ccccc2)cc1 8474264 LBGUCOHHZVXJTJ-UHFFFAOYSA-N 265.356 2.879 30 40 CFEB CC[C@H]1CCCCN1C(=O)COc1cccc(C#N)c1 32738706 QHJVUTWJGMRTDY-AWEZNQCLSA-N 272.348 2.728 30 40 CFEB C=CCn1c(CCNC(=O)C(C)C)nc2ccccc21 560829 YAJIZVDGDSHJRS-UHFFFAOYSA-N 271.364 2.537 30 40 CFEB Oc1ccccc1/C=N/Cc1ccc2c(c1)OCO2 3156273 BROGFALWQPIUQC-CXUHLZMHSA-N 255.273 2.740 30 40 CFEB CC/N=C1/S/C(=C/c2ccc(C)o2)C(=O)N1CC 102947163 OPYCNPOYKAAHKN-ZOBWXTBZSA-N 264.350 2.900 30 40 CFEB O=C(O)Cc1ccc(/C(=N\O)c2cccs2)s1 22590996 DUINQMGMVVHVGH-QXMHVHEDSA-N 267.331 2.663 30 40 CFEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N(C)Cc1nonc1C)C2 100229743 LZAKFPMRKUVBHJ-BLLLJJGKSA-N 289.379 2.719 30 40 CFEB COc1ccc([C@@](C#N)(CC#N)CCC#N)cc1OC 2273558 VLPRILZJMRMHHT-OAHLLOKOSA-N 269.304 2.683 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 7057208 LCXRMJIPTXPZEV-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CCc1ncc(CN(C)c2nc3ccccn3c2C#N)s1 96007377 CNMFRYLUMCCZRC-UHFFFAOYSA-N 297.387 2.861 30 40 CFEB Cc1ocnc1C(=O)N(c1ccc(C#N)cc1)C1CC1 89842522 PVBKZCNMXGNPPR-UHFFFAOYSA-N 267.288 2.664 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccccc2OC)C1=O 409074947 OYAMYDFPDNVZQI-FMIVXFBMSA-N 275.329 2.918 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)C[C@@H]1C=CCC1 79102197 GWIQCXZQGRFISR-SNVBAGLBSA-N 259.371 2.818 30 40 CFEB C=CCOc1cc(C(=O)NCCCOC)cc2occc12 72240246 LRMTZZNUHRYTAC-UHFFFAOYSA-N 289.331 2.764 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1cccc(C)c1 225873724 CIJJZKFGBIDBMK-UHFFFAOYSA-N 255.321 2.697 30 40 CFEB N#Cc1ccc(SCCOC[C@@H]2CCCO2)c(F)c1 96430201 UZBWTALQQKJCAS-LBPRGKRZSA-N 281.352 2.985 30 40 CFEB C=CCN1CCC2(CCN(Cc3cccs3)CC2)C1=O 96046811 NIUVRGCSWOASKQ-UHFFFAOYSA-N 290.432 2.749 30 40 CFEB C=CCO[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)CCN2C1 248131911 YYIHLJGEJILJHH-CABCVRRESA-N 292.448 2.518 30 40 CFEB N#Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 250742312 GBBQQUJXLQLAJR-QYAIJTBZSA-N 298.729 2.523 30 40 CFEB CN(C[C@@H]1CCCOC1)C(=O)Nc1cc(C#N)ccc1F 585140712 JRXCXWLDDWSUMM-LBPRGKRZSA-N 291.326 2.588 30 40 CFEB O=C(O)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 351134 RNTSEXWPMNNXTR-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB N#CCN/C=C\C(=O)c1ccc(Cl)c(Cl)c1 16384413 CJPAAWIGCMDRLG-HYXAFXHYSA-N 255.104 2.803 30 40 CFEB O=C(O)c1ccc(/C=N/N=C/c2ccccc2O)cc1 16919775 ZAILMIHKPZCHRQ-CZCYGEDCSA-N 268.272 2.543 30 40 CFEB Fc1ccccc1/C=N/[C@@H]1C=CCc2nsnc21 5583482 HUYJIDQSCIAOKJ-OXFWXOROSA-N 259.309 2.950 30 40 CFEB CC(C)(C)c1csc(NC(=O)CSCC#N)n1 36395806 MUNGLSNVDMWZNC-UHFFFAOYSA-N 269.395 2.636 30 40 CFEB CCCOc1ccc(C(=O)/C=C(\O)C(=O)O)cc1Cl 106679728 OUVJSGDWCKZHAV-XFFZJAGNSA-N 284.695 2.838 30 40 CFEB C#CCN1CCCC[C@H]1/C(O)=N/CCc1ccccc1 40134920 UTFOHNKVRSLTBZ-INIZCTEOSA-N 270.376 2.673 30 40 CFEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccco2)cc1[N+](=O)[O-] 101662188 DGTHRVKLBOWHGO-WQLSENKSSA-N 298.254 2.841 30 40 CFEB C=C(C)CSCC(=O)Nc1ccc(NC(C)=O)cc1 89914072 ACXWZCHFJQAHGJ-UHFFFAOYSA-N 278.377 2.893 30 40 CFEB C=CCN(CC=C)c1ccc(C(=O)OCC)cc1N 42783472 SNODIFCGYZTWKH-UHFFFAOYSA-N 260.337 2.624 30 40 CFEB O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@H]1O 100596620 MLZONHYJHOUBOQ-SJORKVTESA-N 250.297 2.797 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccccc1CC 100415225 GXKXYPKWLNYACL-PTNGSMBKSA-N 254.717 2.776 30 40 CFEB C[C@@H]1[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CCC[C@H]1C 108336216 XIIZPFSITDJMSI-XUJVJEKNSA-N 292.404 2.661 30 40 CFEB CC(C)(C)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 57606345 VJWQJTFFHWUWQU-UHFFFAOYSA-N 292.404 2.661 30 40 CFEB Oc1ccccc1/C=N/Nc1nc2ccccc2[nH]1 3909450 TWQGQBOSKSVEIB-OQLLNIDSSA-N 252.277 2.715 30 40 CFEB C[C@H]1CCC[C@@H](C)N1C(=O)CN(CC#N)Cc1ccccc1 69567335 ROPFMWVWLHVYMF-IYBDPMFKSA-N 299.418 2.802 30 40 CFEB C#CCCNCc1ccccc1OCc1cccnc1 69871315 VUZJQYZHSQSFCR-UHFFFAOYSA-N 266.344 2.774 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncccc1C#N 7051882 PZTXFCULOFPNGV-DGCLKSJQSA-N 289.404 2.740 30 40 CFEB COc1cccc(/N=C2\NN=C(c3ccc[nH]3)CS2)c1 15404397 AOMHGWAHBDNSAT-UHFFFAOYSA-N 286.360 2.752 30 40 CFEB COc1cc2c(cc1/C=N\c1ccc(C(=O)O)cc1)OCO2 409102473 AEFHDYZDQDCETM-IUXPMGMMSA-N 299.282 2.873 30 40 CFEB COCC1CCN(c2c(F)cc(C#N)cc2F)CC1 71900401 LTVJROMBHODACX-UHFFFAOYSA-N 266.291 2.699 30 40 CFEB CC(C)c1nc(SCC(N)=O)c(C#N)c2c1CCCC2 170622673 PEYXIKKENJDUNB-UHFFFAOYSA-N 289.404 2.533 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 408710072 NRORRYCLVMOKID-KBPBESRZSA-N 282.428 2.768 30 40 CFEB C#CCN1C(=O)c2ccccc2N[C@@H]1c1scnc1C 76065145 CUZWZHVMFLGART-AWEZNQCLSA-N 283.356 2.651 30 40 CFEB Cc1cccc(NC2CCN(C[C@@H](C#N)CCC#N)CC2)n1 96483348 RZACZNRHQNQAPV-OAHLLOKOSA-N 297.406 2.710 30 40 CFEB CCN(CC#N)C(=O)c1ccc(C)c(Br)c1 93198167 MXUNHAMRBAWCAW-UHFFFAOYSA-N 281.153 2.743 30 40 CFEB COc1ccc(/C=C\C(=O)[C@]23CCCC[C@@H]2O3)cc1OC 106176542 QUUNKNVMAVPMIY-FCLXQVKYSA-N 288.343 2.998 30 40 CFEB COC1(NC(=O)c2cccc(C)c2)C(C)=CC(=O)C=C1C 16807539 SNLJFERXZZQSEC-UHFFFAOYSA-N 285.343 2.543 30 40 CFEB O/N=C1/C(c2ccccc2)=NN=C(c2ccccc2)/C1=N\O 17313062 QTZVSLWZEXXBAN-VBGLAJCLSA-N 292.298 2.554 30 40 CFEB O=C1Nc2ccccc2/C1=N/Nc1cccc(Cl)n1 20031800 HQOFWUYEEOOTLC-UHFFFAOYSA-N 272.695 2.503 30 40 CFEB C=CCn1c(O)cc(=O)nc1SCCCCCC 100732283 MVHDKANKQHHLIJ-UHFFFAOYSA-N 268.382 2.807 30 40 CFEB C=CC[C@@H](OC(C)=O)c1cccc(OC)c1OC 1566560 GLCBOHUTRMDZSE-GFCCVEGCSA-N 250.294 2.884 30 40 CFEB N#Cc1ccc(COC(=O)COc2ccccc2F)cc1 8009306 UDWTZBBMROAVKN-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB C=CC/N=C(\O)CN[C@@H](c1ccccc1)c1ccccn1 25417954 KPIBUYPEOWROGV-KRWDZBQOSA-N 281.359 2.903 30 40 CFEB Cc1ccccc1OCCCC(=O)N(C)CCC#N 58306104 FRRIGOFHXPNDCA-UHFFFAOYSA-N 260.337 2.526 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)s1 9378612 XJDPFVQSQSQOCT-UHFFFAOYSA-N 278.358 2.729 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)C(C)(C)C)c(C)o1 97231240 CWMPBSAQTZCHSW-UHFFFAOYSA-N 259.327 2.588 30 40 CFEB COCCN/C(=N/[C@H](C)c1cccs1)NC1CCCC1 84661285 USOGLQBLGMHHBT-GFCCVEGCSA-N 295.452 2.933 30 40 CFEB CO[C@H](C)c1cccc(N[C@H](C)C(=O)N(C)CCC#N)c1 79030526 DKXPMYZHKQGPQD-CHWSQXEVSA-N 289.379 2.566 30 40 CFEB C[C@]12C=CC=C[C@H]1NC(=C1C(=O)c3ccccc3C1=O)C=C2 4262804 CGYGWHFQDJJFRU-DNVCBOLYSA-N 289.334 2.980 30 40 CFEB biogenic N#Cc1cccc(CS(=O)(=O)c2ncccc2Cl)c1 78554104 JYXPIJZOORCARE-UHFFFAOYSA-N 292.747 2.581 30 40 CFEB CCN(CC)/C(N)=N/CC1(c2ccc(F)cc2F)CC1 90064992 GUUMLPBANZBNEH-UHFFFAOYSA-N 281.350 2.653 30 40 CFEB Cc1cc(C)cc(-n2nc(C#N)c(N3CCC(C)CC3)n2)c1 256048520 UDPSHHMFFJEYAZ-UHFFFAOYSA-N 295.390 2.992 30 40 CFEB Cc1c(C#N)c(N2C[C@@H](CO)C[C@@H](C)C2)nc2ccccc12 591462694 JPIGVCAWUYDZPG-OCCSQVGLSA-N 295.386 2.870 30 40 CFEB C=CCn1c(SC)nc2cc(F)c(F)cc2c1=O 820505791 FXGCGBRBXZRTNI-UHFFFAOYSA-N 268.288 2.583 30 40 CFEB C[C@H](CNC(=O)C1(C#N)CCCC1)N(C)Cc1ccccc1 78879062 ZQCFFBOPQMITTM-OAHLLOKOSA-N 299.418 2.707 30 40 CFEB O=C1C=C2OCOC2=C/C1=C\C=C/c1ccccc1 17062751 VPMDULOGKIZXLV-PZADHXCOSA-N 252.269 2.981 30 40 CFEB C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1C#N 953067616 OHAHYLXPVGEPCR-JSGCOSHPSA-N 258.321 2.805 30 40 CFEB COC(=O)Cc1ccc(OCc2cc(C#N)ccc2F)cc1 40024292 XOPVNRIECKLUMI-UHFFFAOYSA-N 299.301 2.992 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1C=CCCCC[C@H]1C=O 100396283 YSAIDHRQPYWOIY-NWDGAFQWSA-N 253.342 2.825 30 40 CFEB Fc1cc(Cl)cc(F)c1N1CCC[C@]2(CO2)C1 1857794557 ZZYSUHAGOILSIX-GFCCVEGCSA-N 259.683 2.987 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)c1cncc(Br)c1 32735980 KBPGATIJMOJMSA-GFCCVEGCSA-N 296.168 2.512 30 40 CFEB O/N=C1/[C@H]2CC[C@H](C2)[C@H]1n1nnc2cc(Cl)ccc21 100988728 GJTZQDROJDHRIM-GUEKWTJISA-N 276.727 2.886 30 40 CFEB N#CCSCC(=O)Nc1ccccc1Br 32833037 DSSWLLRTSQSGQJ-UHFFFAOYSA-N 285.166 2.644 30 40 CFEB Cn1c(=O)cc(/C=N\c2ccc(O)cc2)c2ccccc21 104084365 BQRLMUJQAGPPCJ-WQRHYEAKSA-N 278.311 2.995 30 40 CFEB C#CCNC(=O)CN(Cc1ccccc1)C1CCCCC1 54256261 QJFZXTKXPNXNKZ-UHFFFAOYSA-N 284.403 2.571 30 40 CFEB COc1ccc(C(=O)CNc2ccccc2C#N)cc1 3273041 IKMTUJDPEIFFGR-UHFFFAOYSA-N 266.300 2.862 30 40 CFEB C/C(=N\N=c1\[nH]c(C)cs1)c1ccccc1[N+](=O)[O-] 4056619 YHJPZTLPNDDYNG-NTEUORMPSA-N 276.321 2.618 30 40 CFEB Cc1nn(Cc2c(F)cccc2Cl)c(=O)c(C#N)c1C 7441417 WIUVYYDIOIWXNL-UHFFFAOYSA-N 291.713 2.573 30 40 CFEB CC(C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)o1 97034049 KVPKYUKJSRCPIZ-UHFFFAOYSA-N 284.359 2.924 30 40 CFEB N#CCCn1ccc(NC(=O)N2CCC[C@H]2C2CCC2)n1 95403978 BSUDESJGYWAKEN-ZDUSSCGKSA-N 287.367 2.593 30 40 CFEB C=CCNC(=O)CCc1ccc(Br)cc1 75093706 JZCLCXJNCYXDEO-UHFFFAOYSA-N 268.154 2.684 30 40 CFEB CCC(=O)NCCCNc1nc2cc(C)ccc2cc1C#N 35315472 AQVQNXGWAVXZIQ-UHFFFAOYSA-N 296.374 2.743 30 40 CFEB CCn1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)n1 71785147 IOXRKHOKNZJMQA-BQYQJAHWSA-N 294.310 2.906 30 40 CFEB Cc1ccc(N/N=C2\C(=O)Nc3c(F)cccc32)cc1 223758538 BWCGAJWKWBQNFH-UHFFFAOYSA-N 269.279 2.902 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2Cc1sccc1C 97953736 RNZKOLYFJARJLO-OFQRWUPVSA-N 293.432 2.991 30 40 CFEB CC(C)CN1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1 96215293 OOYRBJKOZATLHI-SFHVURJKSA-N 298.434 2.902 30 40 CFEB C=CCO[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 97953779 KURTZKXJMCYIFZ-KFWWJZLASA-N 279.405 2.683 30 40 CFEB O=C(O)C[C@H](CNOC(=O)c1ccccc1)c1ccccc1 5604316 BOHZDUQWWPEBIH-OAHLLOKOSA-N 299.326 2.607 30 40 CFEB Cc1cc(N)nc(SCc2cc(C#N)ccc2F)n1 29914769 FZUBLQCXBMYOBB-UHFFFAOYSA-N 274.324 2.670 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(C)cc2O)c1 19836738 PJEXMPGRVYWKAR-UHFFFAOYSA-N 251.285 2.934 30 40 CFEB N#Cc1cccc(NC(=O)[C@H]2CCCN2c2nccs2)c1 40090188 MQOXUOCXFNVTOZ-CYBMUJFWSA-N 298.371 2.622 30 40 CFEB N#Cc1ccc(-c2[nH]c(C=O)nc2Br)cc1F 1857794645 FPMOFWDQZWVIOF-UHFFFAOYSA-N 294.083 2.662 30 40 CFEB Cc1nc(C#N)c(N/N=C/c2cc(C)c(O)c(C)c2)o1 6825866 CUGSVNVAQFLGBV-FRKPEAEDSA-N 270.292 2.623 30 40 CFEB CC(=O)Nc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1 47380185 IVVSAZJZRMCBSV-RMKNXTFCSA-N 283.331 2.583 30 40 CFEB CCCCCCCCCCS(=O)(=O)NCCC(=O)O 100922016 LHRKMWZZCCYVKP-UHFFFAOYSA-N 293.429 2.521 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Nc1c(F)cccc1F 12787754 QPESQQPWTGKBPW-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CC(C)(C)C(=O)[C@@H]([C@H](C#N)C(=S)S)[n+]1ccccc1 5379541 DKSCCGWTUOCZEU-WDEREUQCSA-O 293.437 2.527 30 40 CFEB N#Cc1cccc(Oc2ncc(Br)cn2)c1 67119940 VIHCBAMPDSHOBI-UHFFFAOYSA-N 276.093 2.903 30 40 CFEB CC(=O)Nc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 96930345 QFHLXDVKXCRKHZ-LZYBPNLTSA-N 295.294 2.967 30 40 CFEB C[C@@H]([C@@H](C)NCc1cn2ccccc2c1C#N)n1cccn1 72269928 DAVLGCZURGFUOA-KGLIPLIRSA-N 293.374 2.747 30 40 CFEB Cc1c(Cl)cnn1Cc1nnc(-c2ccc(C#N)cc2)o1 89544850 ZHPXSJIAIHWYQV-UHFFFAOYSA-N 299.721 2.815 30 40 CFEB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(C#N)c1 40108260 MSWFMQRPOYGHOT-XJKSGUPXSA-N 286.375 2.883 30 40 CFEB CN(C)c1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@@H]1N2 199291462 QEILFQOAUMHSSE-GOEBONIOSA-N 290.456 2.904 30 40 CFEB C=CCCC(=O)NS(=O)(=O)c1cccc2ccccc12 195574094 ZUYLRNYVFKJBQT-UHFFFAOYSA-N 289.356 2.611 30 40 CFEB N#Cc1ccc(N[C@H]2CCO[C@@H]2c2ccccc2)nc1 96447459 IQOQQDDYIVSLKW-GOEBONIOSA-N 265.316 2.895 30 40 CFEB ON=Cc1cc(Br)c(Br)o1 252440487 MRHRSWWMJUYJRQ-UHFFFAOYSA-N 268.892 2.613 30 40 CFEB C=C(C)CNC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 275052116 WFHOYYFNAGDASQ-CABCVRRESA-N 292.354 2.921 30 40 CFEB COc1ccc2c(c1)CCCN2c1ccc(N=C(N)N)cc1 5550261 JYQPLOSODKEUEJ-UHFFFAOYSA-N 296.374 2.684 30 40 CFEB CC(=O)/C(=C\c1ccco1)C(=O)Nc1ccccc1 5722002 XLBHGSCFAYDXNH-GXDHUFHOSA-N 255.273 2.891 30 40 CFEB C=CCOc1c(Cl)cc(CNCCOC)cc1OC 7525143 VQFBVODNZDYZTP-UHFFFAOYSA-N 285.771 2.649 30 40 CFEB C=CCn1c(S)nc2c(oc3ccccc32)c1=O 100492848 KGDYJJWQHOUGGE-UHFFFAOYSA-N 258.302 2.617 30 40 CFEB C[C@@H](NC(=O)CSCC#N)c1ccc(Cl)s1 40516280 FSQDBIQRBSSSQV-SSDOTTSWSA-N 274.798 2.835 30 40 CFEB CCCn1c(S[C@@H](C)C#N)nnc1-c1ccncc1 11211115 VLFSPUPHQTUTIJ-JTQLQIEISA-N 273.365 2.754 30 40 CFEB N#Cc1cc2ccccc2n(Cc2ccccc2)c1=O 1582998 AXXAPWVIXAWFQK-UHFFFAOYSA-N 260.296 2.921 30 40 CFEB C=CCNC(=O)[C@H](C)Sc1nccn1-c1ccccc1 25967971 CCJYFTXRQBXFQX-LBPRGKRZSA-N 287.388 2.655 30 40 CFEB CC[C@](Cl)(C#N)[C@H](c1ccccc1)N1CCOCC1 20458654 JGSIPKUUXKQROQ-GJZGRUSLSA-N 278.783 2.971 30 40 CFEB CN1C(=S)S[C@@H](/[N+]([O-])=C\c2cccs2)C1(C)C 2260644 QCHDYQYYORDDSL-MRACZJACSA-N 286.447 2.746 30 40 CFEB CN(C)c1cccc(C(=O)OCc2ccccc2C#N)c1 3529804 JKUOXLVDRXNVET-UHFFFAOYSA-N 280.327 2.981 30 40 CFEB N#CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3887096 KMNHMRSGRWTUET-UHFFFAOYSA-N 279.271 2.940 30 40 CFEB Cc1c(OCC#N)ccc2c3c(c(=O)oc12)CCCC3 6183989 CNYOQWGZNIJRCH-UHFFFAOYSA-N 269.300 2.883 30 40 CFEB COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1 6338829 OBUFGIUAZVUMLK-AATRIKPKSA-N 269.300 2.995 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N2CCCC2)n1 5642708 BHJPYVMEGQAKFX-LBPRGKRZSA-N 289.404 2.673 30 40 CFEB N/C(=N\OCc1ccc(Cl)cc1)c1ccncc1 5944794 AVGFGMYKQNWIEY-UHFFFAOYSA-N 261.712 2.572 30 40 CFEB COc1cc(C(=O)CC#N)cc(Br)c1OC 96325935 DDYVGGYGYYINHN-UHFFFAOYSA-N 284.109 2.563 30 40 CFEB C=C(C)COC(=O)c1ccc([S@@](=O)C(C)C)cc1 78951167 WXDWAZYEEJRWCR-GOSISDBHSA-N 266.362 2.936 30 40 CFEB CC1(C)CCC2=C(O1)C(=O)c1c(O)cccc1C2=O 33832919 MYROJYNCTNKRCD-UHFFFAOYSA-N 258.273 2.614 30 40 CFEB biogenic,in-vitro CCCn1nc(OCc2ccc(C)cc2C)c(C#N)c1N 225830911 LTRSVUPJKHKROP-UHFFFAOYSA-N 284.363 2.943 30 40 CFEB N#CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 28331156 SVVHXMFXSVJGOQ-UHFFFAOYSA-N 297.402 2.987 30 40 CFEB COc1ccc(C(=O)O)cc1-n1c(C)cc(C#N)c1C 223718584 JBJIFHVHQJRSMN-UHFFFAOYSA-N 270.288 2.673 30 40 CFEB C=C(C)CNC(=S)Nc1cc2c(cc1F)CCC(=O)N2 40505676 MQBHKUAFLXQDFM-UHFFFAOYSA-N 293.367 2.573 30 40 CFEB Cc1cc(/N=C2/C=C(O)C(=O)c3ccccc32)no1 104312564 HRKCQTXLHWUTON-PTNGSMBKSA-N 254.245 2.742 30 40 CFEB CNC(=O)c1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1 12890243 QCTJPLPQBQFGFP-UKTHLTGXSA-N 293.322 2.574 30 40 CFEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)Nc1ccccn1 49952285 PJKQZKNTVOLUOW-QGHYKFKQSA-N 285.269 2.584 30 40 CFEB CCOC(=O)c1[nH]c2ccc(C)cc2c1/N=C/N(C)C 4712792 FJOOMIUWTAMKKX-CXUHLZMHSA-N 273.336 2.874 30 40 CFEB N#Cc1ccnc(SCC[S@](=O)c2ccccc2)c1 95949818 ODRTUYOAQNIOIZ-LJQANCHMSA-N 288.397 2.853 30 40 CFEB CN(C)C(=O)Cc1ccccc1NCc1cc(C#N)cs1 89312011 MDHFDFLGRVGGST-UHFFFAOYSA-N 299.399 2.863 30 40 CFEB COC(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1C 32764818 MFULFMMUTKAIEN-UHFFFAOYSA-N 294.310 2.906 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 73640170 USQMLKPZUYTDKY-UHFFFAOYSA-N 285.255 2.953 30 40 CFEB O=C(/C=C/c1ccncc1)c1cc([N+](=O)[O-])ccc1O 32502573 CYKRMTDSEINBNM-HNQUOIGGSA-N 270.244 2.592 30 40 CFEB Cc1ncc(CN(C)Cc2ccccc2C#N)s1 47258962 MRVFCWVMIOWVSK-UHFFFAOYSA-N 257.362 2.955 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccsc1)C2 253373201 IATUUEWLZCHDGC-CYZMBNFOSA-N 263.362 2.554 30 40 CFEB Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2C)n1 66406050 ORPABORRACNRMO-OAHLLOKOSA-N 265.316 2.693 30 40 CFEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F 14607505 BRGQUWUUNNPLGZ-VFZGTOFNSA-N 298.321 2.685 30 40 CFEB CC1=CC(=NC(=O)c2ccc([N+](=O)[O-])cc2)C=C(C)C1=O 265611 SACRATSCDDKPKB-UHFFFAOYSA-N 284.271 2.651 30 40 CFEB C=CC[N+](C)(CC=C)CC[N+](C)(CC=C)CC=C 1683759 FUVQVPUKTORVGX-UHFFFAOYSA-N 250.430 2.624 30 40 CFEB C=C(Br)CNC(=O)Nc1ccccc1 1697471 RUTSYHFMJMTNRM-UHFFFAOYSA-N 255.115 2.717 30 40 CFEB CC(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 3606608 FGHCINVGJQYBDP-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB COc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 359027 QZKOGAGSXYNTGF-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB COc1ccc(OCC(=O)c2ccccc2)c(C#N)c1 380712 SXVNRZMMIWNRRN-UHFFFAOYSA-N 267.284 2.829 30 40 CFEB CC1(C)C[C@@H]2C[C@@](C)(C1)N2C(=O)C1=CCC(=O)C=C1 104479438 MMYATHWQUFIAJR-WBMJQRKESA-N 259.349 2.621 30 40 CFEB O=C(/C=N/O)Nc1ccc2oc3ccccc3c2c1 524577 VSTLRKGUPAWCBA-OVCLIPMQSA-N 254.245 2.985 30 40 CFEB COc1ccc(Cl)cc1/C=N/n1c(C)n[nH]c1=S 54868649 RJCPVLMIPCFODQ-AWNIVKPZSA-N 282.756 2.793 30 40 CFEB Cc1ccccc1CC(=O)NCc1ccc(C#N)cc1 36390915 QKQPQCREFPNPOH-UHFFFAOYSA-N 264.328 2.726 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(C#N)c2)c1C 8198244 ZSBKBPKSNPPOPK-UHFFFAOYSA-N 296.326 2.968 30 40 CFEB CC[C@H](C#N)NC(=O)c1ccc(Oc2cccnc2)cc1 69418379 FUBSTPGWDLKJCR-CYBMUJFWSA-N 281.315 2.906 30 40 CFEB COc1ccccc1NC(=S)N/N=C1\C[C@@H]2C=CC[C@@H]12 23741264 RLYWNVFIGLKBCR-HKLAFJFVSA-N 287.388 2.934 30 40 CFEB CC(C)n1cc(C#N)c(NC(=O)[C@H]2C[C@H]2c2ccco2)n1 89894015 XOFNFVRNKYTHMK-NEPJUHHUSA-N 284.319 2.671 30 40 CFEB C#CCCCCNC(=O)c1c(F)c(F)cc(F)c1F 89261555 GJNAWYJGOGWZIU-UHFFFAOYSA-N 273.229 2.776 30 40 CFEB Cc1ccc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)c(C)c1 225235882 NMEXZCHARXAQIZ-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB COC[C@H](C)Oc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225877459 FZSQYNVOZCXVKD-ZDUSSCGKSA-N 299.374 2.712 30 40 CFEB CC1(C)OB(c2c(F)ccc(Cl)c2F)OC1(C)C 585163901 OTVHUEBCKRVBIT-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB Cc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 97145185 YTKNTNPZSNJPBG-INIZCTEOSA-N 297.314 2.920 30 40 CFEB C[C@H]1CN(CC#C[C@@]2(C)CCCC(C)(C)O2)C[C@@H](C)O1 15079984 SMDJPRWUUWXCAB-HLLBOEOZSA-N 279.424 2.837 30 40 CFEB Cc1ccc2nc(Nc3ccccc3)c(/C=N\O)c(=O)n2c1 16348901 WQAMFFJSEXOHTM-MFOYZWKCSA-N 294.314 2.555 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)c1cccs1 4494101 LQQCHVGFOCBGEU-UHFFFAOYSA-N 273.313 2.890 30 40 CFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccco1 8197323 PWWQYGGDRHPHDD-LBPRGKRZSA-N 283.331 2.610 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccccc2C#N)c(F)c1 9141789 KLLKSRVDOSZUMN-UHFFFAOYSA-N 265.247 2.821 30 40 CFEB C[C@@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1cccc(C#N)c1 7937909 ISKGVPIPDYYUFK-CHWSQXEVSA-N 298.342 2.785 30 40 CFEB O=C(c1ccc(Cl)cc1)[C@H]1O[C@]12C(=O)Nc1ccccc12 1616314 JGPRLTQNSPLADH-ZBFHGGJFSA-N 299.713 2.769 30 40 CFEB Cc1[nH]nc(O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N 4452933 GPGLGYWEDPSPGT-CYBMUJFWSA-N 286.722 2.872 30 40 CFEB Cc1cc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)on1 32932467 QTIMKJVNUGXDPN-CQSZACIVSA-N 281.315 2.832 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1 2762416 YXWANVKDCXPBEB-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB CCO/C(C)=N\OS(=O)(=O)c1c(C)cc(C)cc1C 12405154 KQCBSWBQAXTILK-OWBHPGMISA-N 285.365 2.687 30 40 CFEB Cc1sc2nc(S[C@@H](C)C#N)n(C)c(=O)c2c1C 10025610 AMZUVKFDSXDGNV-LURJTMIESA-N 279.390 2.616 30 40 CFEB N#CCN(C(=O)Cc1ccc2ccccc2c1)C1CC1 58282581 WZRKVYIOKWXCND-UHFFFAOYSA-N 264.328 2.897 30 40 CFEB Cc1ccc(N/N=C(\C#N)C(=N)N2CCCCC2)cc1 2288988 SIEYPLBBVFUPJU-LVMDTKJSSA-N 269.352 2.750 30 40 CFEB COc1cc(C[C@@H](C#N)C(=O)Nc2ccccc2)ccc1O 49898090 ASSDHVXTBGSOEP-ZDUSSCGKSA-N 296.326 2.722 30 40 CFEB C=CCn1c(S[C@@H](C)C#N)nnc1-c1cccnc1 8472006 UFAIKLDXDLNRDH-JTQLQIEISA-N 271.349 2.530 30 40 CFEB COc1ccc(C#N)cc1COc1cc(C(N)=O)ccc1C 92314321 PWWSXBMDJQBAEP-UHFFFAOYSA-N 296.326 2.553 30 40 CFEB C#CCOc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 96441821 KFDKUBKTTVARGI-OAHLLOKOSA-N 276.295 2.584 30 40 CFEB C(=N\C1CCCCC1)\c1ccc(N2CCOCC2)o1 409009243 CIHSJOXFQAESIS-VBKFSLOCSA-N 262.353 2.868 30 40 CFEB O=C(O)COc1ccccc1/C=N/c1ccccc1 409209158 GNGQHTZFGJNXKN-MHWRWJLKSA-N 255.273 2.901 30 40 CFEB CC(C)Sc1ncc(Br)c(C#N)n1 217604239 QPVIJHVIDZHMJT-UHFFFAOYSA-N 258.144 2.611 30 40 CFEB C[C@@H](NCc1ccc(F)c(C#N)c1)C1CCOCC1 95985367 KWOOJHMKDLUIHJ-LLVKDONJSA-N 262.328 2.602 30 40 CFEB C=CCCN1CCN(c2nsc3ccccc23)CC1 1888876419 IPIIDJKXLDCGDT-UHFFFAOYSA-N 273.405 2.994 30 40 CFEB CN(C)c1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1 20292965 XDKNHSWXLSAUIA-UHFFFAOYSA-N 278.359 2.757 30 40 CFEB N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 6352469 TXBXYISFJKBICM-UHFFFAOYSA-N 298.367 2.848 30 40 CFEB C=C(C)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 532994 WGUZKKQHFABSCM-UHFFFAOYSA-N 299.396 2.805 30 40 CFEB O=C1C2=C(CCCCC2)N=C2C=C(Br)C=N[C@H]12 100361121 BBTGVDLUVULYSK-LBPRGKRZSA-N 293.164 2.960 30 40 CFEB C=C(Cl)CNC(=O)CCn1ccc2ccccc21 89893909 RPEHIXSRDDXJDD-UHFFFAOYSA-N 262.740 2.900 30 40 CFEB Cc1ccc(C(=O)C[n+]2ccccc2Br)cc1 27526232 GFHHLQXQWWBUDZ-UHFFFAOYSA-N 291.168 2.928 30 40 CFEB N#CCN(C(=O)c1ccc(-n2cccc2)cc1)C1CC1 58378224 KEMPINYTCDLXLB-UHFFFAOYSA-N 265.316 2.605 30 40 CFEB CC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C)cc1C 48475991 JJDZVIOZTGIIOX-SNVBAGLBSA-N 269.366 2.995 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(Cl)cc1 15289556 INOCSMBCWDQFDY-AWEZNQCLSA-N 279.771 2.806 30 40 CFEB Cc1cc(N)nc(SCc2ccc(C#N)cc2)n1 7047735 JLWJGYMAQUVVRV-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB C=CCNC(=O)c1cc(F)ccc1Br 19431912 OOVLUCNCIWZIPY-UHFFFAOYSA-N 258.090 2.504 30 40 CFEB C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc21 71976971 KYMHNIOOPFDZTO-LBPRGKRZSA-N 298.367 2.871 30 40 CFEB C[C@@H](C#N)CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 95460764 GEALTLGAWHEDTN-NSHDSACASA-N 268.320 2.963 30 40 CFEB COCCN(Cc1ccccc1C#N)[C@@H]1CCSC1 95446678 BPMNVAOEQIRLTI-OAHLLOKOSA-N 276.405 2.512 30 40 CFEB CC1(C)OB(c2ccc(C3(C#N)CCC3)cc2)OC1(C)C 170027119 RRILNLLICJXSIA-UHFFFAOYSA-N 283.180 2.931 30 40 CFEB CCOC(=O)c1cc[n+]([C@H](C)C(=O)c2ccc(C)cc2)cc1 36627574 CEIPGARHMPRELF-CQSZACIVSA-N 298.362 2.903 30 40 CFEB C=CCNC1CCN(CCc2ccc(F)cc2)CC1 130735730 ZLRKXGSMHPOWKS-UHFFFAOYSA-N 262.372 2.608 30 40 CFEB CO[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 43518478 QUPQEHBGAVNMKU-INIZCTEOSA-N 280.327 2.676 30 40 CFEB CN(/N=C/c1ccc(Cl)c(Cl)c1)C1=NCCCCN1 1643159 GODFYVBRLBQEBU-GIJQJNRQSA-N 299.205 2.999 30 40 CFEB C#CCSc1ncnc2c1cnn2-c1ccc(F)cc1 4341492 DZJTZMZUQCGCLF-UHFFFAOYSA-N 284.319 2.680 30 40 CFEB CCCCCC#CC[C@@H](O)[C@@H](O)COCc1ccccc1 1616808 BOIFQAQIEVVUJL-MSOLQXFVSA-N 290.403 2.899 30 40 CFEB CCOC(=O)N(Cc1ccc(Cl)cc1)C(=O)CC#N 2178701 SUUULJZLAOHDNX-UHFFFAOYSA-N 280.711 2.739 30 40 CFEB CN(CCC#N)C(=O)CN(Cc1ccco1)c1ccccc1 69622111 JZEDEAVDEIRAJT-UHFFFAOYSA-N 297.358 2.658 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)NCc1ccccn1 58453715 AQKBOCCVTRBQQT-UHFFFAOYSA-N 266.304 2.583 30 40 CFEB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(C#N)cc1 5108862 MQJXBKFVPYIEOZ-ZDUSSCGKSA-N 292.338 2.915 30 40 CFEB COC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C 4537774 YJIXEGCZVPAROD-UHFFFAOYSA-N 290.300 2.560 30 40 CFEB CCOc1cc(C#N)ccc1OS(=O)(=O)C[C@@H](C)CC 89942249 BYCMLKRUYIDHMP-NSHDSACASA-N 297.376 2.712 30 40 CFEB Cc1ccc(CCN(CC#N)C[C@H]2CCCO2)cc1 76000190 WSISPJRSGSYBOK-MRXNPFEDSA-N 258.365 2.542 30 40 CFEB N#Cc1cccnc1N[C@H](CCO)c1cccs1 72293854 OFLNXNLVNBNXJO-LLVKDONJSA-N 259.334 2.550 30 40 CFEB NC(=O)COc1ccc(/C=N/c2ccc(F)cc2F)cc1 408905035 SGLRXRWUDXXMQA-UFWORHAWSA-N 290.269 2.580 30 40 CFEB C#CCNC(=O)NC(c1ccccc1)c1ccccc1 9977496 HNGNLVJIMRIGLQ-UHFFFAOYSA-N 264.328 2.708 30 40 CFEB CN(CCC#N)c1ccc(Br)cc1F 64349804 WGHMPYJBPFCQRJ-UHFFFAOYSA-N 257.106 2.938 30 40 CFEB C#CCCNC(=O)NCc1cccc2ccccc12 70640799 PEVCBIJRZZXSTQ-UHFFFAOYSA-N 252.317 2.662 30 40 CFEB C=CCO[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2o1 78442118 MPVWVXXODPQMBB-QWRGUYRKSA-N 270.288 2.595 30 40 CFEB N#Cc1cc(N2CCN(C3CCC3)CC2)nc2ccccc12 336907015 YOFDZOCAJBNBDU-UHFFFAOYSA-N 292.386 2.781 30 40 CFEB C#Cc1cccc(NC(=O)Cc2cn3cccc(C)c3n2)c1 89700378 DZXIRVYRWZSOBO-UHFFFAOYSA-N 289.338 2.805 30 40 CFEB CO[C@@H]1CCCCC[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] 95414965 LAQXDBVCWZDKMR-NWDGAFQWSA-N 290.323 2.621 30 40 CFEB Oc1ccc(Br)cc1/C=N/C[C@@H]1CCCO1 63176 MKBDPOJYGPNTNV-NGPAHMQLSA-N 284.153 2.753 30 40 CFEB CN(c1ccccc1)[C@@H]1CS(=O)(=O)OC2=C1CCCC2 5390371 MRGATSAOESWUIV-CQSZACIVSA-N 293.388 2.680 30 40 CFEB Cc1ccccc1N1CCN(c2ncccc2C#N)CC1 24153613 BJIIUOIJTNALKU-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB N#Cc1ccsc1NC(=O)Cc1ccc(F)cc1 5268432 AAUHUJYNZKBPQZ-UHFFFAOYSA-N 260.293 2.940 30 40 CFEB Cc1cccc(CS(=O)(=O)Cc2ccc(C#N)cc2)c1 40070016 LUGHSBFBJLUVGP-UHFFFAOYSA-N 285.368 2.982 30 40 CFEB N#CC1(NC(=O)Cc2noc3ccccc23)CCCCC1 40216456 JCAMTFQGZBBICM-UHFFFAOYSA-N 283.331 2.713 30 40 CFEB CCCCCCCC(=O)N[C@H](C(=O)O)C(C)(C)C 59269354 PBJVSQNKLCGXRU-GFCCVEGCSA-N 257.374 2.962 30 40 CFEB CC(C)N1CC[C@H](SCc2ccc(F)cc2C#N)C1=O 89870032 UUAXDBJSWBMWLX-AWEZNQCLSA-N 292.379 2.940 30 40 CFEB CC/N=C(\C)c1c(O)c2ccccc2n(CC)c1=O 101156812 YYVXCEAOVFQKCG-MHWRWJLKSA-N 258.321 2.556 30 40 CFEB COCCn1c(SCCC#N)nc2ccccc21 57401470 KMJJZPGUXAPUDD-UHFFFAOYSA-N 261.350 2.688 30 40 CFEB Cc1ccc(C(=O)COC(=O)c2ccc(C#N)cc2)cc1 3240927 ZUDUFPAQRFQLCS-UHFFFAOYSA-N 279.295 2.906 30 40 CFEB Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1 6514402 NCHUSBPRQKECMH-XNTDXEJSSA-N 271.345 2.713 30 40 CFEB C=CCNC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 67357014 LWHXEZXTYHNJFS-UHFFFAOYSA-N 290.363 2.564 30 40 CFEB CN(CCC#N)C(=O)C(C)(C)Oc1cccc(Cl)c1 71903025 GFPRBCBKDUGXLY-UHFFFAOYSA-N 280.755 2.869 30 40 CFEB CCc1cnccc1C(=O)Nc1sccc1C#N 97109291 NGQOOPZVFJFINZ-UHFFFAOYSA-N 257.318 2.829 30 40 CFEB C[C@@H](C#N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72314058 VZYSCWSTZIVMJH-ZETCQYMHSA-N 282.687 2.529 30 40 CFEB N#Cc1cc(Cl)ccc1NCCSCCCO 76062978 BXEVBANUHKFYGQ-UHFFFAOYSA-N 270.785 2.739 30 40 CFEB C#Cc1cccc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1 89505703 MAZUKJIWMSRSLO-LLVKDONJSA-N 281.359 2.760 30 40 CFEB CCCCCCOc1ccc(/C=N\NC(N)=S)cc1 33729299 DCMWDGWVNSYRGF-WJDWOHSUSA-N 279.409 2.813 30 40 CFEB CC[C@@]1(c2ccc(Br)cc2)O[C@H]1C(=O)OC 85657593 IBEWDLLHKSNBQD-JQWIXIFHSA-N 285.137 2.626 30 40 CFEB Cc1cccc(Cn2c(C#N)cc(N)c2N2CCCC2)c1 225864751 KFIQTNXLHDMGLD-UHFFFAOYSA-N 280.375 2.899 30 40 CFEB C=CCn1nc(OCc2cc(C)ccc2C)c(C#N)c1N 225837332 HITREJNRNWDDAD-UHFFFAOYSA-N 282.347 2.719 30 40 CFEB C[Si](C)(C)c1cn[nH]c1/C=N\c1ccc(F)cc1 221832948 JTBBZQBBRTXVCF-NVNXTCNLSA-N 261.376 2.845 30 40 CFEB C[C@@H]1S/C(=N/C=N/c2ccccc2OC(F)F)NC1=O 226820355 IFRQZFORNICEIF-ZETCQYMHSA-N 299.302 2.555 30 40 CFEB Cc1cnn(CCCN[C@H](C)c2cccc(C#N)c2)c1 96493378 VEVUFYHRBUAMCY-CQSZACIVSA-N 268.364 2.804 30 40 CFEB CC[C@H](/C(=N/O)c1ccc(Cl)cc1)S(=O)(=O)CC 96524602 SOXCILCTBCEHMP-UWYSJPFYSA-N 289.784 2.732 30 40 CFEB C[C@@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccccc1 244352 BHUGEYWWNUWAAY-DDVQTAGUSA-N 260.337 2.560 30 40 CFEB CCOC(C)(C)/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17157446 MYPWWKZBBOSCTF-JYRVWZFOSA-N 296.283 2.716 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(Cl)c2)C(=O)O1 3095545 ZJPFWLZDCFWUQD-VBROQKIQSA-N 290.702 2.568 30 40 CFEB CCc1nnc(C2CCN(c3cccc(C#N)n3)CC2)s1 2086847960 FMUITHMHGYZPSP-UHFFFAOYSA-N 299.403 2.751 30 40 CFEB C=CCc1ccccc1OC[C@H](O)C[N+](C)(C)C(C)C 307853 LTPNWBALAIEAHJ-MRXNPFEDSA-N 278.416 2.640 30 40 CFEB C/C(O)=N/c1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1 59475075 BCLRPBLHKMBANG-UHFFFAOYSA-N 293.308 2.613 30 40 CFEB O=[N+]([O-])c1ccc2c(c1)/C(=N\O)c1cc(F)ccc1-2 102852441 BRVGTFVQSFOJKB-SQFISAMPSA-N 258.208 2.941 30 40 CFEB CC(C)[C@@](C)(CC(=O)Nc1sccc1C#N)C(=O)O 35148653 JHWANOFUFUHAOF-CYBMUJFWSA-N 280.349 2.695 30 40 CFEB N#Cc1cccc(NC(=O)NC[C@H](O)c2cccc(F)c2)c1 58394373 GFRZSWZELFCUOX-HNNXBMFYSA-N 299.305 2.552 30 40 CFEB Cc1ccccc1-c1nc(C#N)c(NCCCN(C)C)o1 2366797 AGSVNBGWBLWAPJ-UHFFFAOYSA-N 284.363 2.885 30 40 CFEB C=CCN/C(=N\C1CCCCC1)NCc1cc(C)on1 78751854 VVUMUXXPSCIHHJ-UHFFFAOYSA-N 276.384 2.537 30 40 CFEB N#CCC(=O)NCc1cccc(CN2CCCCCCC2)c1 97097124 SDVRIPRBGLVWRX-UHFFFAOYSA-N 299.418 2.983 30 40 CFEB N#Cc1ccc(NC[C@H]2CCC=CO2)c([N+](=O)[O-])c1 96600906 IGLWLAZCKOKNGI-LLVKDONJSA-N 259.265 2.571 30 40 CFEB CN(CCC#N)C(=S)Nc1ccccc1Cl 5668494 UDTGZIZGLHQPEZ-UHFFFAOYSA-N 253.758 2.882 30 40 CFEB Cn1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)cn1 20817672 CTPSVGODWURIMS-LZYBPNLTSA-N 283.360 2.828 30 40 CFEB COc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1 25293224 XVXQPDIYHGAAQQ-UHFFFAOYSA-N 280.327 2.839 30 40 CFEB O=C(/C=C/c1csnn1)c1ccc(N2CCCC2=O)cc1 45745748 IVJSQAFFJAMDRQ-VMPITWQZSA-N 299.355 2.561 30 40 CFEB CCCCCCCCSc1nnc2nc(O)cc(N)n12 17376366 NVJBKKZRGZUKQA-UHFFFAOYSA-N 295.412 2.865 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1cccs1 20834459 VKAFEQJFRCYURW-KQAANWFRSA-N 280.393 2.794 30 40 CFEB Cc1ccc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc1 42173458 YCJAQUVQGLKGMP-AWEZNQCLSA-N 277.393 2.537 30 40 CFEB Fc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1F 23219805 IGFHAMSCUATGBZ-GIDUJCDVSA-N 268.654 2.854 30 40 CFEB C/C(CC(=O)Nc1ccccn1)=N/c1ccccn1 104084334 OPUGXZLRBVHILT-BOPFTXTBSA-N 254.293 2.598 30 40 CFEB C=CCn1c(SCC#N)nc2ccc(Cl)cc2c1=O 3370014 UCJBVTMXPWEDPW-UHFFFAOYSA-N 291.763 2.852 30 40 CFEB Cc1cccc(NC(=O)/C=C/c2cccc(C#N)c2)n1 48782706 PWXKGWMNPOZCRX-CMDGGOBGSA-N 263.300 2.914 30 40 CFEB Oc1cccc(/C=N/Nc2ncnc3ccccc23)c1 4536904 NZKUSAFIGFILKP-GIJQJNRQSA-N 264.288 2.781 30 40 CFEB CCc1cnc(NCc2cc(C#N)n(C)c2C)s1 97114511 IXRGQLMNYUFUGA-UHFFFAOYSA-N 260.366 2.836 30 40 CFEB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 95994033 BEHOMFIYSOLWIF-ZFWWWQNUSA-N 289.379 2.600 30 40 CFEB CC[C@@H]1S/C(=N\c2ccc(C(C)=O)cc2)NC1=O 6870808 HPXBGAXHFCAXOF-NSHDSACASA-N 262.334 2.518 30 40 CFEB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(C#N)c1 169800222 SUYPKEHRXOZQDE-OAHLLOKOSA-N 296.282 2.771 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1cc(F)ccc1F 3445152 XTLWDCFUJXRGMS-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB COc1ccc2c(N3CCCC3)c(C#N)cnc2c1 35537970 SEBOZMBNFKPYLG-UHFFFAOYSA-N 253.305 2.715 30 40 CFEB N#Cc1c(NC(=O)[C@H]2CCCO2)sc2c1CCCC2 35708 LYQROMGTOFNHDC-LLVKDONJSA-N 276.361 2.616 30 40 CFEB CCc1cccc2c(C#N)cn(CC(=O)N3CCCC3)c12 807235 HWWCOFUFDMGJIC-UHFFFAOYSA-N 281.359 2.698 30 40 CFEB CN1C(=S)S[C@H](/[N+]([O-])=C\c2ccccc2)C1(C)C 6664458 VYWRIPAWKUXWBE-ZRRZQRFHSA-N 280.418 2.684 30 40 CFEB CC(=O)/C(=N\Nc1ccccc1)NCc1ccccc1F 59501201 ARVORALBDQKWBA-UHFFFAOYSA-N 285.322 2.930 30 40 CFEB CN(C)CCO/N=C(\c1ccc(F)cc1)c1cccnc1 1884343 WHJYUQZMJYBWEV-KNTRCKAVSA-N 287.338 2.551 30 40 CFEB Cc1ccccc1/C=N/OCC(=O)NCCc1ccccc1 5406375 ZDCCXHYDYJFKDT-DEDYPNTBSA-N 296.370 2.704 30 40 CFEB CO[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 95453909 ORFGGXZKXNTKJS-HZPDHXFCSA-N 298.317 2.894 30 40 CFEB N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 89762066 CQPBOGSPYOUBFH-GXTWGEPZSA-N 257.337 2.681 30 40 CFEB CC(C)CSc1nc(N)c(C#N)c(CC(C)C)n1 225893269 OMLYNODEODMTPP-UHFFFAOYSA-N 264.398 2.877 30 40 CFEB CCN(CC)c1c(N)cc(C#N)n1Cc1ccc(F)cc1 225864308 KQPNJWULRWAGPH-UHFFFAOYSA-N 286.354 2.976 30 40 CFEB CC(C)c1csc([C@H](C#N)C(=O)C2CCOCC2)n1 80459174 KWJOCLBDVYSKTF-LLVKDONJSA-N 278.377 2.869 30 40 CFEB CCCCCCCCCCC(=O)NN1CCOCC1 97941765 YTMDCVWZULLIJU-UHFFFAOYSA-N 270.417 2.881 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1sccc1C)C2 253598627 QDHUFWITUBDQQR-XQQFMLRXSA-N 277.389 2.862 30 40 CFEB CN(CC(=O)Nc1sccc1C#N)Cc1cccs1 7847088 YRAUWPNDJXSTJK-UHFFFAOYSA-N 291.401 2.752 30 40 CFEB C[C@@H]1OC2=C(C(=O)[C@@H]1C)[C@H](c1ccc(Cl)cc1)OC2=O 4769455 WUMICVVEOSLLNB-UJVNDKKSSA-N 292.718 2.816 30 40 CFEB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 69741045 PGTOLCYYJIYNSR-SJORKVTESA-N 297.402 2.647 30 40 CFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(F)cc2)o1 58822345 WQTXDOUMXNUTCN-RQZCQDPDSA-N 291.351 2.904 30 40 CFEB N#Cc1cccnc1N1CCO[C@@H](c2ccccc2)C1 23888571 BSYFFWOIKDCOGM-OAHLLOKOSA-N 265.316 2.531 30 40 CFEB CCc1cc2c(=O)n(Cc3ccc(C#N)cc3)cnc2s1 12772816 OMKTUCUCGGCMRF-UHFFFAOYSA-N 295.367 2.940 30 40 CFEB COc1cc(OC)cc(OC(=O)c2ccc(C#N)cc2)c1 3547744 ZAECQHJMXKRWED-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB S=c1[nH]nc(-c2cccnc2)n1/N=C/c1ccccc1 13115290 XFMJRYRGRQJCRR-CXUHLZMHSA-N 281.344 2.885 30 40 CFEB Cc1cccc(OCCN(C)c2ncccc2C#N)c1 14138563 YNFGJEYQAFBEKG-UHFFFAOYSA-N 267.332 2.777 30 40 CFEB COc1ccc(CCNc2ccc(C#N)cn2)cc1 19471415 IPFNVYVKZHYYRA-UHFFFAOYSA-N 253.305 2.616 30 40 CFEB C=C[C@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1 190477854 KHYZMNABCBDCGN-UKRRQHHQSA-N 287.359 2.670 30 40 CFEB Cc1cc(/C(N)=N/O)cc(C)c1OCc1ccccc1 83843321 GFKXIZCISGHIRG-UHFFFAOYSA-N 270.332 2.977 30 40 CFEB CCCCn1c(C#N)cc(N)c1N1CCC[C@@H](C)C1 225865704 NQQVFPULFFTFBN-GFCCVEGCSA-N 260.385 2.978 30 40 CFEB C[C@@H](CCO)CNc1ccc(Br)cc1C#N 96008487 DJVGWQBARKLMSS-VIFPVBQESA-N 283.169 2.751 30 40 CFEB CCOC(=O)/C(C)=N/Nc1ccc(OC(F)(F)F)cc1 170846 JSJMGCAGRJSETE-LZYBPNLTSA-N 290.241 2.936 30 40 CFEB C=CCNc1nc(Nc2ccccc2F)nc(OCC)n1 5027559 SSZHEBRTGWUMJJ-UHFFFAOYSA-N 289.314 2.751 30 40 CFEB Cn1nc(Cc2cccc3ccccc23)c(C#N)c1N 12480272 IYMLKYIERCOLBI-UHFFFAOYSA-N 262.316 2.618 30 40 CFEB Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C#N)cc1 24993392 DJXMXBRKYDLKBD-UHFFFAOYSA-N 268.276 2.782 30 40 CFEB CC[C@@H]1CO[C@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1565548629 GQBWBVBICLPQGN-KBXCAEBGSA-N 298.386 2.518 30 40 CFEB CC1(C)[C@@H]2[C@H]1CC[C@@H]1OB(c3ccsc3)O[C@@]12C 239563020 PURMGMLBEISVIT-UHXUPSOCSA-N 262.183 2.683 30 40 CFEB O=C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccco1 100401535 PVRQSNDSRDWJHP-LFIBNONCSA-N 276.679 2.783 30 40 CFEB O=C1CCCC2=C1N=C(O)C[C@H]1c3ccccc3CCN21 6665598 FHSQITMXQFPYAJ-AWEZNQCLSA-N 282.343 2.911 30 40 CFEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(F)cc1 103504166 KDLPRACOXDHRQH-AWEZNQCLSA-N 282.274 2.787 30 40 CFEB Cc1nn(C)cc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 47380202 TURRLCWRWQNUCQ-BQYQJAHWSA-N 271.276 2.533 30 40 CFEB CCc1ncc(CN(C)Cc2ccc(C#N)o2)s1 93324344 VPEJLQXWSKYUIB-UHFFFAOYSA-N 261.350 2.802 30 40 CFEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCc2ccccc21 6578429 DMVRKVJXTSWBGO-CQSZACIVSA-N 297.402 2.780 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1 24571026 LTHJNQPWQPEIBT-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB N#Cc1c(-c2ccccc2O)c2c([nH]c1=N)CCCC2 408981173 VAUYTEYDJOFTEW-UHFFFAOYSA-N 265.316 2.617 30 40 CFEB N#CCOc1c(Cl)cc(C=O)cc1Br 408852388 KEVNXRPRETYUJS-UHFFFAOYSA-N 274.501 2.817 30 40 CFEB C=CCN1CCCC12CCN(C(=O)c1ccc(C)nc1)CC2 96063185 GOHJVQVOBUAFGM-UHFFFAOYSA-N 299.418 2.647 30 40 CFEB N#Cc1ccc(N2CCC[C@H]2CO)cc1C(F)(F)F 48865509 JAJQKMYNNNUHOL-NSHDSACASA-N 270.254 2.538 30 40 CFEB COc1cc(OC)cc([C@@H](OC[C@H]2CO2)C(F)(F)F)c1 95095976 GQUDQWLZXUXWRU-VXGBXAGGSA-N 292.253 2.723 30 40 CFEB N#Cc1c[nH]c(C(=O)NCCSCc2cccs2)c1 95406882 NEXZJKZGQFKSQD-UHFFFAOYSA-N 291.401 2.611 30 40 CFEB Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C 564228 NUUASPPEDIMADS-UHFFFAOYSA-N 252.317 2.943 30 40 CFEB O=C(O)c1cccc(N/N=C/c2ccccc2O)c1 6673759 NKWJGSDGBHNSSS-OQLLNIDSSA-N 256.261 2.536 30 40 CFEB CCc1nnc(C2CCN(c3ccc(C#N)cn3)CC2)s1 2086847954 DAQCOUOLPOYDQI-UHFFFAOYSA-N 299.403 2.751 30 40 CFEB Cc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 40460996 UGKPGZIGMIXKRX-UHFFFAOYSA-N 271.364 2.750 30 40 CFEB N#Cc1cc(F)ccc1N1CCC[C@@H](c2ncc[nH]2)C1 91480196 XKRLVKSAKIJGGZ-LLVKDONJSA-N 270.311 2.804 30 40 CFEB C=CCNC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 69659503 DIJITTIASHRMMZ-UHFFFAOYSA-N 291.370 2.622 30 40 CFEB C=CCN/C(S)=N/N=C\c1c(F)cccc1Cl 5181913 QHMWEZHGHUSQIR-CHHVJCJISA-N 271.748 2.874 30 40 CFEB Cc1cc(F)cc2c(N[C@H](C)CCO)c(C#N)cnc12 96429538 MJSWLPGZXAJOAG-SNVBAGLBSA-N 273.311 2.737 30 40 CFEB CN(C(=O)c1cc(F)c(F)c(F)c1)c1ncccc1C#N 97085603 PFYGYIMZDLPDHU-UHFFFAOYSA-N 291.232 2.647 30 40 CFEB Cc1ccc2c(CC(=O)N(C)[C@H](C)CC#N)c[nH]c2c1 78420460 IFXIOERDHCYUPT-GFCCVEGCSA-N 269.348 2.779 30 40 CFEB COc1ccc(/C=C(/C(C)=O)C(=O)OC(C)C)c(OC)c1 34982712 JNURTLXGUCTPFT-ZSOIEALJSA-N 292.331 2.628 30 40 CFEB C=CCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] 79728485 MQXHHCUIDDVKIR-UHFFFAOYSA-N 286.081 2.700 30 40 CFEB CC/N=C(\NCC)NCc1cccc(CSC)c1 187842027 UHRFVWLSYGDJMN-UHFFFAOYSA-N 265.426 2.625 30 40 CFEB CN(C)c1cccc(CNCc2cccc(C#N)c2)c1 78552667 XZLKZDYJPYCYFN-UHFFFAOYSA-N 265.360 2.914 30 40 CFEB CC(=O)Oc1ccc(C(=O)c2ccc(C#N)cc2)cc1 43209935 QOQFSWINMSHEOU-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB N#CCCCS(=O)(=O)Cc1ccccc1C(F)(F)F 190883400 YMPJPQSMUGXLPP-UHFFFAOYSA-N 291.294 2.924 30 40 CFEB COc1ccc(Cn2nc(CC(C)C)c(C#N)c2N)cc1 225847568 AWNSLNNDLTZAKI-UHFFFAOYSA-N 284.363 2.592 30 40 CFEB CCCCn1nc(Cc2ccc(F)cc2)c(C#N)c1N 225832079 QBIWROYWJSUIMU-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB C=CCC[C@@H](C)Nc1cccc(C(=O)N2CCOCC2)c1 195561780 XOXOKTMDAACLCK-CQSZACIVSA-N 288.391 2.926 30 40 CFEB C=CCO[C@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 68764993 GTWAGGSNVMJIGP-DOMZBBRYSA-N 299.374 2.818 30 40 CFEB CC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 14185812 BCUCYWFKAQVBMI-UHFFFAOYSA-N 256.305 2.912 30 40 CFEB N#Cc1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1 4494721 JYEXIBGWGFRNJR-AATRIKPKSA-N 291.232 2.831 30 40 CFEB C=CCNC(=S)N1CC[C@@]2(C)c3ccccc3N[C@@]12C 4623358 ZUGLQHQFKRZDST-HOTGVXAUSA-N 287.432 2.852 30 40 CFEB C[N+](C)(CC#Cc1ccccc1)CC(=O)c1ccccc1 4349181 NZFOESZNHQPLBW-UHFFFAOYSA-N 278.375 2.997 30 40 CFEB CCn1c(CCCOCCC#N)nc2ccccc21 4426977 VQSZUELYKZTXSB-UHFFFAOYSA-N 257.337 2.919 30 40 CFEB C/N=C1\S/C(=C\c2cc(C)c(O)c(C)c2)C(=O)N1C 108161678 XARSQVDMXYTAAM-YPLRCFCBSA-N 276.361 2.541 30 40 CFEB COc1ccc(OC)c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1 2796180 RVYRRBYXSBBCMI-RQZCQDPDSA-N 297.314 2.624 30 40 CFEB CCN(CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1 47958140 OCWAUXZBIMMPGI-UHFFFAOYSA-N 293.798 2.534 30 40 CFEB CCCC/N=C(\C)c1c(O)c2ccccc2n(C)c1=O 100362693 WBEJYHDMVVRSLZ-GZTJUZNOSA-N 272.348 2.853 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 12921491 MBFVTNFODYSJEB-UHFFFAOYSA-N 285.234 2.858 30 40 CFEB N#Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1 9218748 HMAWVXNPLFGSGW-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB Cn1cc([C@H]2CCCN2Cc2ccc(C#N)cc2)cn1 71799194 NMTAFWZXDQVWGT-MRXNPFEDSA-N 266.348 2.629 30 40 CFEB CSc1nc(N)c(C#N)c(-c2ccc(O)cc2)c1C#N 21630125 QIESNCHLZIRXAB-UHFFFAOYSA-N 282.328 2.502 30 40 CFEB N#C[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(-c2nnco2)c1 95942869 RYWQRKFMQKFUID-KBPBESRZSA-N 297.314 2.976 30 40 CFEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)N2CCC1CC2 39323245 REMVAFSAHRIGFD-JYRVWZFOSA-N 292.722 2.884 30 40 CFEB CC[C@H](C)Sc1nc(N)c(C#N)c(C(C)C)n1 225892254 RGCKFFKFBPCKNG-QMMMGPOBSA-N 250.371 2.944 30 40 CFEB C=CCNc1nc(-c2cccc(N)c2)ncc1C(=O)OCC 226104101 YSFQGYUXRHZFSO-UHFFFAOYSA-N 298.346 2.500 30 40 CFEB N#Cc1ccccc1C(=O)c1cccc(C2OCCO2)c1 43212523 GAHDNVSBFNPGEV-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB N#Cc1cccc(Br)c1N1CCCC1 95081200 GPKBOKGLSALEPA-UHFFFAOYSA-N 251.127 2.921 30 40 CFEB CN1C(=O)S/C(=C\c2cn(CC#N)c3ccccc23)C1=O 5529552 FKXXMHGVMWXCDH-JYRVWZFOSA-N 297.339 2.831 30 40 CFEB N#CCOC(=O)c1c2c(nc3ccccc13)CCCC2 3563858 HHEORVFQNUQFKG-UHFFFAOYSA-N 266.300 2.794 30 40 CFEB CNC(=N)N/N=C(\c1ccccc1)c1ccc(Cl)cc1 1871536 MCMIBTBCABVWET-XMHGGMMESA-N 286.766 2.836 30 40 CFEB CC(C)CNC=C1C(=O)CC(c2ccccc2)CC1=O 100584910 MLJZMDYJKWNVSO-UHFFFAOYSA-N 271.360 2.832 30 40 CFEB COc1ccc(OC)c(CNCc2ccc(C#N)cc2)c1 37501722 AEDZGDBLGKDPSD-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB Oc1oc(-c2ccccc2)nc1/C=N/CCCn1ccnc1 100457969 QVNAOUMTYABSEM-GZTJUZNOSA-N 296.330 2.753 30 40 CFEB N#CCN(CC#N)C(=O)c1cc2c(F)cccc2s1 58201532 VRQJLLRVYUJETD-UHFFFAOYSA-N 273.292 2.530 30 40 CFEB N#Cc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 38031932 ZGQMXNYTSIZHLO-UHFFFAOYSA-N 281.315 2.628 30 40 CFEB C=CCn1c(S)nnc1[C@H](C)Oc1cccc(OC)c1 17022684 GTQYXVBNKBKBEY-JTQLQIEISA-N 291.376 2.901 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCCOc2cccc(C#N)c2)c1 69558619 XZLYKMLXEZHQNF-GJZGRUSLSA-N 298.390 2.681 30 40 CFEB CC(C)(C)OC(=O)N1[C@H](CCCC=O)COC1(C)C 218296556 OLCJXNPKDPAKOR-LLVKDONJSA-N 271.357 2.728 30 40 CFEB O=S(=O)(/N=C(\O)c1ccccc1F)c1cccc(F)c1 96442699 NFOGUYPTXPIZBL-UHFFFAOYSA-N 297.282 2.658 30 40 CFEB CCOc1cc(C#N)ccc1OS(=O)(=O)C[C@H](C)CC 89942248 BYCMLKRUYIDHMP-LLVKDONJSA-N 297.376 2.712 30 40 CFEB CC(C)(C)OC(=O)NC[C@H](C=O)Cc1ccccc1 98095861 MTVNKVWVSFOLID-CYBMUJFWSA-N 263.337 2.569 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cccc(Cl)c1 100207385 WVPOBGCCBQMLJN-ZROIWOOFSA-N 261.108 2.867 30 40 CFEB CNC(=NCc1ccccc1OCc1ccccc1)NC 97000526 RFQAZYLSWWNHNM-UHFFFAOYSA-N 283.375 2.560 30 40 CFEB C[C@H](/C(=N/O)c1ccccc1)N1C(=O)c2ccccc2C1=O 17141890 OQRWHCYNZKHNHQ-FOTIKMNESA-N 294.310 2.550 30 40 CFEB N#Cc1cccc(CN2CC(Cn3cc(Cl)cn3)C2)c1 1889108951 PXYBAZHAIMPMKG-UHFFFAOYSA-N 286.766 2.540 30 40 CFEB O=C1C(NCc2ccccc2)=C/C(=N\O)c2ccccc21 96336804 JCPCRMZYHQLYNJ-XDJHFCHBSA-N 278.311 2.735 30 40 CFEB C/C=C/C(=O)c1ccc(OCCN2CCCC2)cc1 575242683 DVYLYGZYGRLKGW-GORDUTHDSA-N 259.349 2.920 30 40 CFEB N#Cc1ccccc1NC(=O)CNCC1CCCCC1 4969196 PRRXXKSYRXVUDX-UHFFFAOYSA-N 271.364 2.667 30 40 CFEB Cc1[nH]nc(O)c1[C@@H](c1cccc(Cl)c1)C(C#N)C#N 4452932 GPGLGYWEDPSPGT-ZDUSSCGKSA-N 286.722 2.872 30 40 CFEB CS[C@H](C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4692178 MDTLCKSUWLYASZ-PKTIUJEHSA-N 284.297 2.652 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccccc1 32830805 XENIWERYMMOVIK-YOEHRIQHSA-N 287.407 2.561 30 40 CFEB O=C(O)[C@H](Cc1ccccc1)/N=C\c1ccc(O)cc1 104187003 AVABFWMEVHDXDS-ZCQLHAAUSA-N 269.300 2.507 30 40 CFEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc21 536897 SUTFIKFMHUZTQQ-VGOFMYFVSA-N 283.239 2.917 30 40 CFEB Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 25066857 ZJJQINOSFKAQJJ-UHFFFAOYSA-N 254.249 2.914 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cccc(C#N)c1 21889538 JITPMUQCEVNEIM-DOMZBBRYSA-N 271.364 2.665 30 40 CFEB CC[C@@](C)(C#N)NC(=O)CCn1ccc2ccccc21 58440440 GNCVTVHNIIGGNY-INIZCTEOSA-N 269.348 2.840 30 40 CFEB C[C@H](Nc1ccc(C#N)cn1)c1ccc2c(c1)OCO2 14318118 YCWUTCPEXFSOGE-JTQLQIEISA-N 267.288 2.855 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(Cl)cc1 15289557 INOCSMBCWDQFDY-CQSZACIVSA-N 279.771 2.806 30 40 CFEB C=CCN/C(=N/[C@H](C)c1cccs1)NC[C@H]1CCCO1 72271916 NRVJHYWJUQTPLQ-CHWSQXEVSA-N 293.436 2.709 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)CCc1cccs1 97107194 MLEQSLUDBQJYRF-VIFPVBQESA-N 275.395 2.766 30 40 CFEB C#CCOc1ccc([C@@H](C)NCc2ccnc(OC)c2)cc1 95420002 ISTOVDXNTFVLCG-CQSZACIVSA-N 296.370 2.953 30 40 CFEB C=C(C)CN(CC)S(=O)(=O)c1cc(C)sc1C 98073991 QCBVPCQLTYHGRZ-UHFFFAOYSA-N 273.423 2.952 30 40 CFEB CC[C@H](NC(=O)c1cccc(CC#N)c1)C1CCOCC1 74410986 WSRXXGXBNURJOV-INIZCTEOSA-N 286.375 2.688 30 40 CFEB C=C(Br)CN(C)[C@@H](C)c1cccnc1 96485801 PDKLWGQUZNGAHP-JTQLQIEISA-N 255.159 2.983 30 40 CFEB CC(C)n1cnnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1 95975039 LANSGUZSRRBKKA-CYBMUJFWSA-N 296.378 2.510 30 40 CFEB Cc1cccc(N2CCN(C[C@H](C#N)CCC#N)CC2)c1 28689935 OSLNEVGUQMWZQO-INIZCTEOSA-N 282.391 2.561 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1cccc(OC)c1 103758602 QHPRXAVHYBAQFG-UHFFFAOYSA-N 292.379 2.720 30 40 CFEB C#CCNC(=O)c1ccccc1Oc1ccccc1 21903298 ZMEAEWXNNAFOEZ-UHFFFAOYSA-N 251.285 2.842 30 40 CFEB CC1(C)C[C@H]2C[C@](C)(C1)N2C(=O)C1=CCC(=O)C=C1 104479454 MMYATHWQUFIAJR-BLLLJJGKSA-N 259.349 2.621 30 40 CFEB COc1cccc(S(=O)(=O)/N=C(\O)CC2CCCC2)c1 58187539 SHHPOGUZJPFMHE-UHFFFAOYSA-N 297.376 2.921 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 58201263 RMKAUMXHZGTXBW-UHFFFAOYSA-N 294.310 2.581 30 40 CFEB CN(CCC#N)C(=O)c1ccc(Oc2cccnc2)cc1 58380658 OPQJLIVZLHKCHD-UHFFFAOYSA-N 281.315 2.860 30 40 CFEB C[C@@H]1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1 5163834 UDCLGSNSBZNERV-UWYSJPFYSA-N 266.366 2.531 30 40 CFEB COc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O 4631353 GDCCYFMANFPAHA-CXUHLZMHSA-N 282.303 2.723 30 40 CFEB Cc1cc(SCC(=O)NCCC#N)nc2c(C)cccc12 5581948 HGQRNXOWDASSFJ-UHFFFAOYSA-N 299.399 2.974 30 40 CFEB C/C(Cl)=C\C[N+](C)(C)CC(=O)OCc1ccccc1 16185304 OJKZYVLQFQQEKG-UKTHLTGXSA-N 282.791 2.949 30 40 CFEB CC(C)(C)[C@@H](C#N)NC(=O)Cc1cccc(Cl)c1 75105572 DTRDEQYPQRSSMU-GFCCVEGCSA-N 264.756 2.937 30 40 CFEB C=CCOc1cc2oc(=O)c(C(=O)O)cc2cc1Cl 72219773 ULOWKCPBWOPNEV-UHFFFAOYSA-N 280.663 2.709 30 40 CFEB CC1(C)CN(C(=O)NCc2cccc(C#N)c2)CCS1 83645791 CVLVWEFDTXKEHN-UHFFFAOYSA-N 289.404 2.595 30 40 CFEB COCc1ccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)cc1 80419080 ZZLWWMUGGBDVKN-AWEZNQCLSA-N 284.290 2.857 30 40 CFEB CC[C@H](/N=C(/O)CCc1cnccn1)C1CCOCC1 330011562 JDAVILPSEGQCJO-AWEZNQCLSA-N 277.368 2.571 30 40 CFEB C#CC(OCCO)(c1ccccc1)c1ccccc1 96171600 YRHPDUUZYPQMSL-UHFFFAOYSA-N 252.313 2.572 30 40 CFEB C=CCNC(=O)c1ccc(Br)cc1F 19515919 HBMSDYDMGZJRDY-UHFFFAOYSA-N 258.090 2.504 30 40 CFEB N#Cc1cccc(Cn2ccc(-c3ccccn3)n2)c1 167069314 VVYSTQRKTLUUNM-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB C=C(COc1ccc(Br)cc1F)C(=O)O 69906947 QTRHFSPUKWSLQO-UHFFFAOYSA-N 275.073 2.608 30 40 CFEB Cc1ccc(C2=NNc3cc(C#N)c(C#N)cc3O2)cc1 4745459 MZRAYDMBYJKBEK-UHFFFAOYSA-N 274.283 2.904 30 40 CFEB Cc1nc(Oc2cccc(N)c2)c(C#N)c(C)c1[N+](=O)[O-] 54548 ZJAAKSQACKLOGR-UHFFFAOYSA-N 284.275 2.853 30 40 CFEB CCOC(=O)c1cc(C#N)c(N(C)C)nc1-c1ccccc1 20365480 IDCROIRENZSCPB-UHFFFAOYSA-N 295.342 2.863 30 40 CFEB COc1ccccc1CNC(=O)Nc1cccc(C#N)c1 43330040 VCVKLTJQZWPFGU-UHFFFAOYSA-N 281.315 2.889 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)CCSc1ccccc1F 58378478 SUYMCZLQEJLFAU-NSHDSACASA-N 280.368 2.926 30 40 CFEB O=C(NCC#Cc1ccccc1)[C@@H]1Cc2ccccc2S1 12853351 DJPWTHXEDGNXES-KRWDZBQOSA-N 293.391 2.871 30 40 CFEB C=C(C)CNC(=S)NCCc1c[nH]c2ccccc12 6333428 JHKJHDWJJDGMTI-UHFFFAOYSA-N 273.405 2.751 30 40 CFEB CN(C(=O)c1ccc(F)cc1OC(F)F)C1(C#N)CCC1 96005828 VTEJEKYWHCUFCU-UHFFFAOYSA-N 298.264 2.945 30 40 CFEB COc1ccc(OC(=O)COc2ccccc2C#N)cc1 7766596 QJEKJSHQNVKLQR-UHFFFAOYSA-N 283.283 2.551 30 40 CFEB CCCC(C#N)(CCC)NC(=O)c1cncc(C)c1 84740377 JMAUOBKRQLZPHI-UHFFFAOYSA-N 259.353 2.982 30 40 CFEB C[S@](=O)c1cccc(NCc2cc(C#N)cs2)c1 95428784 IWWOKDQBQYGBNA-GOSISDBHSA-N 276.386 2.969 30 40 CFEB N#Cc1ccc(CNC[C@@H](O)c2ccc(F)c(F)c2)cc1 37749080 BMWPVNZFZLVHOW-MRXNPFEDSA-N 288.297 2.660 30 40 CFEB Cc1nc(SC[C@H](C#N)CCC#N)nc(C)c1C 8924720 QJKYKOYORNORKO-LBPRGKRZSA-N 260.366 2.938 30 40 CFEB Cc1ccc(C)c(/N=C/c2[nH]nnc2[Si](C)(C)C)c1 221821492 LZGSYQUMKOPNFH-OQLLNIDSSA-N 272.428 2.717 30 40 CFEB C#CCOc1c(C(=O)O)cc(C(C)(C)C)cc1[N+](=O)[O-] 225284673 LMQOOUOFAPHXRV-UHFFFAOYSA-N 277.276 2.603 30 40 CFEB CC(C)[C@@H](C)S[C@H](C(N)=O)c1ccc(C#N)cc1 95403428 IXQBMOXWHUEMIY-MFKMUULPSA-N 262.378 2.862 30 40 CFEB CC1(C#N)CN(C(=O)Nc2ccc(C3CCC3)cn2)C1 333582037 APLIGWWHMHBPJB-UHFFFAOYSA-N 270.336 2.726 30 40 CFEB O=C(OCC(F)(F)F)OCC(F)(F)C(F)F 169795636 ZPQXJDLVIXUKJI-UHFFFAOYSA-N 258.089 2.602 30 40 CFEB CS(=O)(=O)OCc1ccc(C(F)(F)F)cc1Cl 165762254 BWNBZYYBSLJXQC-UHFFFAOYSA-N 288.674 2.835 30 40 CFEB N#Cc1cc(C(=O)COc2ccccc2)ccc1F 575242912 LSMJNVXTKROTSI-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB CC#CCCC(=O)N1C=Cc2ccccc2[C@H]1C#N 2601417 YJRONLAVXRHMEI-OAHLLOKOSA-N 250.301 2.868 30 40 CFEB COc1ccccc1OCC(=O)Nc1ccccc1C#N 510888 PAKNMGCCQQVZLF-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB CCCc1nc(NCCOC)c(C#N)c2c1CCCC2 20589111 PMGDTWLTOWLZBU-UHFFFAOYSA-N 273.380 2.843 30 40 CFEB N#Cc1cccnc1N1CCO[C@H](c2ccc(F)cc2)C1 29528154 DMGSQOBIPPSGPI-HNNXBMFYSA-N 283.306 2.670 30 40 CFEB C[C@@H]1CN/C(=N/c2cc([N+](=O)[O-])ccc2Cl)S1 8489308 SHPFUPBYMOBLIA-ZCFIWIBFSA-N 271.729 2.961 30 40 CFEB N#Cc1cccc(OCC(=O)c2ccc(F)cc2)c1 6401637 GPFIHUJIBWFQPW-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB CC(=O)Nc1cccc(C(=O)/C=C/c2cccnc2)c1 7586973 BFGSTMXBNJSRBB-BQYQJAHWSA-N 266.300 2.936 30 40 CFEB COc1cc(C#N)ccc1OCc1nc(CC(C)C)no1 71794366 HPWLLWBEXAWQFS-UHFFFAOYSA-N 287.319 2.727 30 40 CFEB CCCN1CC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 97144568 UHENVWXRKBTSDH-GFCCVEGCSA-N 288.351 2.610 30 40 CFEB CC1(C)OB(c2cnc(-c3ccccn3)s2)OC1(C)C 198095494 ORBBMXGFOLJACD-UHFFFAOYSA-N 288.181 2.504 30 40 CFEB N#C[C@H]1C[C@@H](c2ccccc2)c2sc(=O)[nH]c2S1 96306219 VVIJKNUONOKNRU-ZJUUUORDSA-N 274.370 2.956 30 40 CFEB O=C1C(c2ccccc2)=CC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 96306239 FBCSKRIOXNULOU-KNPMLCFXSA-N 250.297 2.660 30 40 CFEB CC(C)COCCC(=O)N[C@H](C)c1ccc(C#N)cc1 31759173 IPZVWFMTSUSKPU-CYBMUJFWSA-N 274.364 2.798 30 40 CFEB C#CCNC(=O)[C@@H](C)S[C@@H](C)c1ccccc1F 56261406 BYGUTSWLUYHPGV-WDEREUQCSA-N 265.353 2.758 30 40 CFEB CC(=O)Nc1ccc(CCNCc2ccc(C#N)cc2)cc1 78411710 ABYUCGIHEOFJJU-UHFFFAOYSA-N 293.370 2.849 30 40 CFEB C=CCNC(=S)Nc1ccc(Cl)c(C(=O)O)c1 216928163 ZORFQMWFIJAWAH-UHFFFAOYSA-N 270.741 2.511 30 40 CFEB CN(C)C1(CNc2ccc(C#N)c(Cl)c2)CCOCC1 72947360 UNFVHEMNAJPRCB-UHFFFAOYSA-N 293.798 2.734 30 40 CFEB CCc1c(Br)cc(C#N)n1C[C@@H]1CCCO1 225306105 MUPDBUHWMLVSPY-JTQLQIEISA-N 283.169 2.864 30 40 CFEB O=S(=O)(CCCC(F)(F)F)/N=C(\O)C[C@H]1C=CCC1 96487607 UEUYJDPXTQCEOP-VIFPVBQESA-N 299.314 2.972 30 40 CFEB C#CCN[C@H](C)c1ccccc1I 307024894 WWRIMBSUPCALLR-SECBINFHSA-N 285.128 2.575 30 40 CFEB O=C(O)COc1ccc(/C=N/Nc2ccccc2)cc1 13351321 PQSPHLCYPQXPCH-MHWRWJLKSA-N 270.288 2.596 30 40 CFEB C/C(=N\NC(N)=S)c1ccc2c(c1)Cc1ccccc1-2 4917113 GBBYPMAYIWIBBR-VCHYOVAHSA-N 281.384 2.815 30 40 CFEB CC(=O)C[n+]1c(-c2ccccc2)n(C)c2ccccc21 5495288 XRCLKEGAJDOFQU-UHFFFAOYSA-N 265.336 2.722 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(C)c1C 3190484 GKWFRNBJXOUAPY-UHFFFAOYSA-N 298.342 2.784 30 40 CFEB N#CCCCn1cc(C(F)(F)F)cc(Cl)c1=O 40460702 GWTPIQXIPLODIG-UHFFFAOYSA-N 264.634 2.824 30 40 CFEB COc1ccc2c(c1)C(=NO)c1cc(OC)ccc1-2 235325 JXJWUGYSTWEARC-UHFFFAOYSA-N 255.273 2.911 30 40 CFEB Cc1ccnc(NC2=CC(=O)C(=O)c3ccccc32)c1 1707097 LHBKHCZOXQDIGS-UHFFFAOYSA-N 264.284 2.608 30 40 CFEB O=C1/C(=N/O)[C@H](c2ccccc2)Oc2ccccc21 8615995 UPAMVIOAWHMBTC-WSTOHFRZSA-N 253.257 2.833 30 40 CFEB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(C#N)cc2)C1 102527117 ZKPHFTGXJVKGKY-HZSPNIEDSA-N 285.391 2.863 30 40 CFEB Cc1cccc(N(C)CC(=O)N[C@](C)(C#N)C2CC2)c1C 54288551 GFFUXOIEGBBKEN-QGZVFWFLSA-N 285.391 2.548 30 40 CFEB COc1ccc(/C=N/n2c(N)nc3ccccc32)cc1OC 2336383 FNHJFFIDPOCPBP-VCHYOVAHSA-N 296.330 2.518 30 40 CFEB N#CCC[C@H](C#N)CSc1nnc(NC2CC2)s1 12750537 ZTOPYTVMFTYEBT-MRVPVSSYSA-N 279.394 2.648 30 40 CFEB COc1cc(-c2ccccn2)nc(C#N)c1SC 13405944 VIGCSVTZFAZTIX-UHFFFAOYSA-N 257.318 2.746 30 40 CFEB C[C@@H](Cc1cccc(Cl)c1)NC(=O)C(C)(C)C#N 49348441 YMPNFXADEIVNHV-JTQLQIEISA-N 264.756 2.937 30 40 CFEB CC(C)Oc1cncc(C(=O)[C@H](C#N)c2ccc(F)cn2)c1 91698078 UGAJUXYAVLLUHU-CQSZACIVSA-N 299.305 2.893 30 40 CFEB Cc1ccc2c(c1)CCCN2CC(=O)N[C@@](C)(C#N)C1CC1 6552765 GFYCUJUUZXYFJI-SFHVURJKSA-N 297.402 2.556 30 40 CFEB C[C@H]1OCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 90180675 OKASKZQYNHCLTG-RISCZKNCSA-N 283.293 2.824 30 40 CFEB Cc1cc(C)n(/C(=C/N(C)C)C(=O)c2ccccc2)n1 8873574 FVTTUOUYPMOQKZ-RVDMUPIBSA-N 269.348 2.743 30 40 CFEB Cc1noc([C@@H]2CCCN(c3ccc(C#N)cc3)C2)n1 97159673 VMIZKRDNWQHYLO-CYBMUJFWSA-N 268.320 2.634 30 40 CFEB CCC[C@H](C)CS(=O)(=O)/N=C(O)/C=C/c1ccncc1 79023964 WQDGDHACVADPNY-FYJFLYSWSA-N 296.392 2.817 30 40 CFEB CN(C)/N=C/C=C1/CC/C(=C/c2ccccc2)C1=O 95950968 FLHBXJODOXJVLV-JUCLLCFASA-N 254.333 2.907 30 40 CFEB COc1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cn1 409102644 ZEQLIFRUBJMWIJ-PDGQHHTCSA-N 297.358 2.677 30 40 CFEB C=CCN1CC[C@]2(CN(Cc3cccs3)C[C@H]2C)C1=O 96201671 ASGPJYNAMBIRIX-CZUORRHYSA-N 290.432 2.605 30 40 CFEB Cc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1 14143623 TXYGIZRTFGRKLY-UHFFFAOYSA-N 281.344 2.630 30 40 CFEB CN(C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccco1 68658603 FLMYWRBFFMXNHA-LBPRGKRZSA-N 290.754 2.914 30 40 CFEB C/C(=N\NC(=S)N1CCCCCC1)c1nccs1 16940505 SKORDPZFEYSYCS-GXDHUFHOSA-N 282.438 2.618 30 40 CFEB O=C1C=C(NNC(=S)c2ccc(Cl)cc2)CCC1 5513423 RETWCHWLIXCDCV-UHFFFAOYSA-N 280.780 2.747 30 40 CFEB N=C(N)N/N=C(/c1ccccc1)c1ccc(Cl)cc1 1693804 DGYCGNBYYCUOGA-AQTBWJFISA-N 272.739 2.575 30 40 CFEB CCOC(C/N=C(\S)Nc1ccccc1)OCC 5422598 UDXFOMCTFSUKOL-UHFFFAOYSA-N 268.382 2.783 30 40 CFEB C=CCNC(=O)N(CC)Cc1c(F)cccc1F 69654668 JWTAINMSBFCJNK-UHFFFAOYSA-N 254.280 2.682 30 40 CFEB N#Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 513752 KJUZDQNLAUZQEI-UHFFFAOYSA-N 280.283 2.582 30 40 CFEB Cc1ccc(C(=O)O/N=C/c2c(C)nn(C)c2Cl)cc1 1386958 XVAFZGTXGANIAS-LZYBPNLTSA-N 291.738 2.881 30 40 CFEB Cc1c(C=C2C(=O)c3ccccc3C2=O)cc(C#N)n1C 3322832 DYANIKPGBYAFGH-UHFFFAOYSA-N 276.295 2.668 30 40 CFEB O=C1CCCC2=C1/C(=N/O)C[C@@H]1c3ccccc3CCN21 12889056 DKBIHLNAKPTGKH-COYFKBPASA-N 282.343 2.827 30 40 CFEB biogenic CC[C@@](C)(C#N)NC(=O)c1ccc(OC)c(OC(F)F)c1 65609941 WDRHVDGZXMUFTF-AWEZNQCLSA-N 298.289 2.719 30 40 CFEB COc1ccccc1CN/N=C/c1cccc([N+](=O)[O-])c1 20761944 CHDCUZIKIPSQDH-MHWRWJLKSA-N 285.303 2.727 30 40 CFEB CCc1ccc(-c2noc(CN(C)C[C@H](C)C#N)n2)cc1 71824948 OYHVIKOZBFKVNZ-GFCCVEGCSA-N 284.363 2.890 30 40 CFEB Cc1nc(SCc2cccc(F)c2)nc(N)c1C#N 225891077 HQPSZSYGCVFVKL-UHFFFAOYSA-N 274.324 2.670 30 40 CFEB N/C(=N\CCC[C@@H]1CCCCO1)N1CCCCCC1 97376787 CSNFMVOMRQWUGB-AWEZNQCLSA-N 267.417 2.526 30 40 CFEB Cc1cnn(C[C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 69870079 PZFBDBMUTVPIFF-HUUCEWRRSA-N 298.390 2.661 30 40 CFEB CC(C)C[C](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 1560410869 UGUWXLNSYNBSQO-OHTBPHCPSA-N 264.198 2.791 30 40 CFEB Cc1c(Cl)nnc2c(C#N)c(-c3ccccc3)nn12 5792530 MQBCPVSKRRXGBU-UHFFFAOYSA-N 269.695 2.625 30 40 CFEB CCNC(=S)N/N=C/c1cccc(C(F)(F)F)c1 5979473 DFIXHHODSRNJTH-FRKPEAEDSA-N 275.299 2.523 30 40 CFEB CSc1ncc(C#N)c(N2CCc3sccc3C2)n1 1889091485 WXKGUPWWEPSJPG-UHFFFAOYSA-N 288.401 2.694 30 40 CFEB CCN(CC)c1ccc([C@@H](C#N)N2CCO[C@H](C)C2)cc1 41194382 OQAJKFSCQPYXLU-RHSMWYFYSA-N 287.407 2.818 30 40 CFEB C#CCNC(=O)N[C@H](C)c1ccc2ccccc2c1 32862884 MMWBTXPAOHAJIG-GFCCVEGCSA-N 252.317 2.833 30 40 CFEB CC(=O)/C(=N/Nc1cccc(C)c1C)C(=O)C(F)(F)F 2171758 DHVHQCNTOLPQRD-WQRHYEAKSA-N 286.253 2.792 30 40 CFEB Cc1nnc(N2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C 58343112 NKVSPUIZUMWELP-HNNXBMFYSA-N 293.374 2.656 30 40 CFEB Cc1cccc(/N=C2\CSc3nnc(C)n3N2)c1Cl 28114127 GYGJRXXKORFHPG-UHFFFAOYSA-N 293.783 2.928 30 40 CFEB N#CC1(NC(=O)CSc2ccc(O)cc2)CCCCC1 37995713 CMRVLJHOVNUEGT-UHFFFAOYSA-N 290.388 2.827 30 40 CFEB C=CCC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 64033686 HVGRWPOAYYRINC-UHFFFAOYSA-N 283.368 2.753 30 40 CFEB CC1(C)CC(=O)C(=C2Nc3ccccc3N2)C(=O)C1 9053868 IZNIHKRZOYBAIQ-UHFFFAOYSA-N 256.305 2.694 30 40 CFEB CC#CCCNC(=O)c1cc(Cl)c(OCC)c(OC)c1 95467361 PLJSTXYAIHKEIW-UHFFFAOYSA-N 295.766 2.891 30 40 CFEB COC[C@H](C)NC1CCC(Oc2ccccc2C#N)CC1 95983695 QHXZXKRGVIKFEB-JEYLPNPQSA-N 288.391 2.873 30 40 CFEB O=C(O)C[C@@H](N/N=C/c1ccccc1O)c1ccccc1 67351021 FQOAUOKQIZCXAW-SWEABUAFSA-N 284.315 2.532 30 40 CFEB CC(C)=CCC[C@H](C)CCN1CCN(CC#N)CC1 192622405 PEWIWHAJTBSVQM-INIZCTEOSA-N 263.429 2.900 30 40 CFEB O=C(/C=C1\NCCS1)c1ccc(Br)cc1 239563235 ZCQWMJUXQLQYOT-UHFFFAOYSA-N 284.178 2.810 30 40 CFEB CCc1ccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)cc1 256047065 KBMRIVITDWLHHR-UHFFFAOYSA-N 295.390 2.938 30 40 CFEB N#C[C@H](NC(=O)c1cccc(F)c1Cl)C1CC1 90866218 WKMLVHANAQJZER-JTQLQIEISA-N 252.676 2.511 30 40 CFEB C=C(Br)CN[C@@H](CCO)c1ccccc1 96490934 YAYDPPKRAZEKMD-LBPRGKRZSA-N 270.170 2.608 30 40 CFEB COc1cc2c(cc1OC)CN(c1ncccc1C#N)CC2 12807313 NXUBLAKEXMGWEV-UHFFFAOYSA-N 295.342 2.533 30 40 CFEB N#CCN/C=C\C(=O)c1ccc(Cl)cc1Cl 16384873 FBAWGMIZMZWOEF-HYXAFXHYSA-N 255.104 2.803 30 40 CFEB C[C@@H](CN(C)C)C(=O)/C=C\c1ccc(F)c(F)c1 17175547 KCCPYEKUXVMZAM-BXKUYDPTSA-N 253.292 2.745 30 40 CFEB O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1ccccc1 85159 QXCIKBNUXJIZPN-GHRIWEEISA-N 299.286 2.690 30 40 CFEB COc1ccc(Cl)cc1NC(=O)C[n+]1cccc(C)c1 4129534 KJSSEXRHJWEJGV-UHFFFAOYSA-O 291.758 2.583 30 40 CFEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(C)c1O 6613127 QWAWLRNWHHMPHJ-FRKPEAEDSA-N 286.291 2.758 30 40 CFEB CC/N=c1/scc(-c2ccco2)n1/N=C/c1ccc[nH]1 103461003 VEJFYGUMFDWIHK-OKGKMVIMSA-N 286.360 2.941 30 40 CFEB Cn1ncc2c1CC/C(=C\c1ccc(F)c(F)c1)C2=O 47313295 PAPSEWLKWMUDJK-UXBLZVDNSA-N 274.270 2.911 30 40 CFEB C=CCn1ccc(=O)c2c(C(F)(F)F)nccc21 1408435 RZOXVEOWDJOPGC-UHFFFAOYSA-N 254.211 2.601 30 40 CFEB N#Cc1cccnc1N1CCO[C@@H](c2ccc(F)cc2)C1 29528156 DMGSQOBIPPSGPI-OAHLLOKOSA-N 283.306 2.670 30 40 CFEB Cc1ccc(C[C@@H](C#N)Sc2nccn2C)cc1 6590380 HWQRECVAOBXDSL-ZDUSSCGKSA-N 257.362 2.956 30 40 CFEB COc1cc(O)c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O 15206091 CEIWQXCJVAWOKP-IZZDOVSWSA-N 298.294 2.765 30 40 CFEB biogenic,in-vitro C[C@@H]1OCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 90180676 OKASKZQYNHCLTG-FZMZJTMJSA-N 283.293 2.824 30 40 CFEB CCCN1CCCN(CC(C)(C)CCC#N)CC1 92659786 ZZCNVMICYIMZGT-UHFFFAOYSA-N 251.418 2.734 30 40 CFEB N#Cc1c(N)sc2c1CCN(c1ccncc1Cl)C2 89884906 FSHFDXURQOCALK-UHFFFAOYSA-N 290.779 2.813 30 40 CFEB C#CCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 9605235 SXATXBVGIBHUIT-INIZCTEOSA-N 278.311 2.553 30 40 CFEB C[C@H](NC(=O)c1ccc(F)nc1)c1cccc(C#N)c1 72542903 HAABPCBPTRVKLP-JTQLQIEISA-N 269.279 2.583 30 40 CFEB C=C(C)CN(CC)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 74791582 GTYFRIZRCBYIIY-GOOCMWNKSA-N 279.428 2.609 30 40 CFEB N#CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68767458 CMACJVOSASJAQL-DTWKUNHWSA-N 269.131 2.737 30 40 CFEB CC1(C)OB(c2ccc(F)c3[nH]ccc23)OC1(C)C 203850082 VOVCSVCFVXVNJD-UHFFFAOYSA-N 261.105 2.606 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1cc(C)c(OC(C)C)c(C)c1 100965596 DLIADEFZOQZZIJ-ZSOIEALJSA-N 292.331 2.888 30 40 CFEB N#Cc1ccc(F)c(CN2CCO[C@H]3CCCC[C@@H]32)c1 42251338 UILXBXZJIOXLHD-HOTGVXAUSA-N 274.339 2.841 30 40 CFEB N/C(=N/O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 12375114 ONVQHVKCTQWMJN-VIFPVBQESA-N 263.728 2.988 30 40 CFEB O=[N+]([O-])C(/C=N\Nc1ccccc1)/C=N/Nc1ccccc1 104295469 IKQYBSBIBFKSHM-QJWWANOYSA-N 297.318 2.828 30 40 CFEB CCN(CC)c1ccc(/N=N/[C@H]2C(=O)ON=C2C)cc1 100989595 GHLDZBRSHCLCSJ-UWZWCOGJSA-N 274.324 2.918 30 40 CFEB C#Cc1cccc(NCc2cc(=O)n3c(C)csc3n2)c1 12536626 JVWQYKRPJDUZFM-UHFFFAOYSA-N 295.367 2.658 30 40 CFEB N#CCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 58191649 WJOXYPLSGZLSLK-UHFFFAOYSA-N 289.722 2.567 30 40 CFEB CCCCCCCCCCn1cc(C(C)=O)c(=O)[nH]c1=O 2178869 OKRKGVGBTGZVNS-UHFFFAOYSA-N 294.395 2.880 30 40 CFEB COc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 4074257 HEUPVMZHKCINJA-RQZCQDPDSA-N 297.314 2.624 30 40 CFEB C=CCNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 4091390 ZOYSMKMNDPHVTB-UHFFFAOYSA-N 289.282 2.569 30 40 CFEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)O 5331436 HNZGTDISFIWWTA-UHFFFAOYSA-N 276.342 2.858 30 40 CFEB C#CCNC(=O)N(Cc1c(F)cccc1Cl)C1CC1 96431286 LSQOPKQRHNYSMJ-UHFFFAOYSA-N 280.730 2.786 30 40 CFEB C[C@]1(CO)CCC[C@H]1Nc1c(F)cc(C#N)cc1F 76061182 CLJRTEFOFOWPRG-TZMCWYRMSA-N 266.291 2.799 30 40 CFEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2O 72238404 MTKHCEBNOHGONA-GHXNOFRVSA-N 272.231 2.853 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)on1 49424978 YPHKOJSDQWHDHU-LLVKDONJSA-N 269.304 2.573 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCCOc2ccc(C#N)cc2)c1 69571679 CEKSPMKEHHBEHK-HUUCEWRRSA-N 298.390 2.681 30 40 CFEB C=CCNC(=S)N/N=C(C)/C=C\c1ccc(OC)cc1 5664532 DOHGGHHPPPHTRT-JZFBGFOPSA-N 289.404 2.734 30 40 CFEB CC1=CC(=O)/C(=C/n2c(=S)[nH]c3ccccc32)C(=O)O1 5733697 ZDELOKFYGRWDIL-CLFYSBASSA-N 286.312 2.569 30 40 CFEB CC(C)(C)[C@@H]1COC(C(C#N)C2=N[C@H](C(C)(C)C)CO2)=N1 1875251760 JFTKLAIXKLBJQR-RYUDHWBXSA-N 291.395 2.813 30 40 CFEB N#CCCSc1nc2ccccc2c(=O)n1C1CC1 7859888 TYCHOZSFYHKYPQ-UHFFFAOYSA-N 271.345 2.737 30 40 CFEB C=C1C=CN(C(C)=O)[C@H](OC(C)=O)[C@@H]1SC(C)(C)C 1755397 LSIDFOQNYZCLGQ-CHWSQXEVSA-N 283.393 2.708 30 40 CFEB CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCOC1 104194860 HSEPXWMBNBEYRU-CYBMUJFWSA-N 262.328 2.556 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)C[C@@H]1C=CCC1 47332701 LUIKUXGNNMEBHF-GFCCVEGCSA-N 287.338 2.582 30 40 CFEB O=S(=O)(/N=C(\O)c1ccc(Cl)s1)C1CCCC1 79065007 BDPLJLLCWARNRE-UHFFFAOYSA-N 293.797 2.979 30 40 CFEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)C1CCC1 4090528 FWNLLZGEVJLCET-PTNGSMBKSA-N 299.370 2.704 30 40 CFEB biogenic CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 5556526 UQRKXKCOIBTAOK-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB N#Cc1ccc(COC(=O)Cc2cccc(F)c2)cc1 7492346 SSZGWEYSIUKFSZ-UHFFFAOYSA-N 269.275 2.983 30 40 CFEB COc1cccc(CC2CCN([C@H](C)C#N)CC2)c1 97086247 TXXOWCSQCLASOI-CYBMUJFWSA-N 258.365 2.862 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1ccc(OC)c(C)c1 97141420 OPSRLRFBNXKBTL-LLVKDONJSA-N 261.325 2.817 30 40 CFEB C=CCSc1nnc(Cc2ccccc2)n1CCOC 409106810 PGTDTKGTHPYRQC-UHFFFAOYSA-N 289.404 2.793 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1 83812739 GHXQRMMFIGEIFD-UHFFFAOYSA-N 279.295 2.578 30 40 CFEB CCCNc1nn(-c2cccc(C)c2C)nc1C#N 256048850 WQKFBIBZDORAOM-UHFFFAOYSA-N 255.325 2.578 30 40 CFEB CC(C)OC1=C(Cl)C(=O)c2c(cccc2[N+](=O)[O-])C1=O 1689558 CBUZCXYHKGQZON-UHFFFAOYSA-N 295.678 2.849 30 40 CFEB CCc1cccc2c(C#N)cn(CC(=O)N(CC)CC)c12 479809 QCEPYLBNCZDOGP-UHFFFAOYSA-N 283.375 2.944 30 40 CFEB Cc1ccc(/C=N\NC(=N)N/N=C/c2ccc(C)cc2)cc1 104392330 GNXRPYNGMHPGPB-UHWBUFEVSA-N 293.374 2.785 30 40 CFEB Cc1ccc(S(=O)(=O)OCC(C)(C)CC#N)cc1 1866046 XICPDHQLAOBFMC-UHFFFAOYSA-N 267.350 2.640 30 40 CFEB C=CCc1cc(C(=O)NCC(C)C)cc(OC)c1OC 21873471 WABIPCXROKOWAA-UHFFFAOYSA-N 277.364 2.818 30 40 CFEB C/N=C(\c1ccccc1)N1CCN(Cc2cccs2)CC1 25637441 ISDCIXYJILCHBJ-ISLYRVAYSA-N 299.443 2.942 30 40 CFEB N#Cc1cccnc1NC[C@H](O)c1ccc(Cl)cc1 58648659 CCWOKSLNOICNBO-ZDUSSCGKSA-N 273.723 2.752 30 40 CFEB COc1cc(C#N)ccc1OCc1csc(C)n1 9643192 XJJSAXSYAIYRTG-UHFFFAOYSA-N 260.318 2.911 30 40 CFEB N#Cc1ccc(N2CCC(NC[C@@H]3CC=CCC3)CC2)nc1 95433964 XFOLSXFBMVIKMU-OAHLLOKOSA-N 296.418 2.868 30 40 CFEB COc1ccc([C@H](C#N)NC(=O)OC(C)(C)C)cc1 22115961 NIWYPPKPSFAJAZ-LBPRGKRZSA-N 262.309 2.785 30 40 CFEB C#CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1579551 UMRYKNVDLHXTAA-UHFFFAOYSA-N 285.302 2.846 30 40 CFEB CC(C)(C#N)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820036 TVLCCIORRYXWCI-ZDUSSCGKSA-N 292.766 2.790 30 40 CFEB CC(C)c1nc([N+](=O)[O-])cn1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 100965593 WFGDGXNGTKCSLH-PLOZXHMFSA-N 278.312 2.716 30 40 CFEB Cc1sc2ncn(/N=C/c3ccco3)c(=O)c2c1C 947869 WBTHJHBDVMJLRB-GIDUJCDVSA-N 273.317 2.550 30 40 CFEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccn1 24098985 CTPWZTJFGDQIAA-HNNXBMFYSA-N 265.316 2.834 30 40 CFEB CC(C)(C)OC[C@](C)(O)C(=O)/C=C/c1ccccc1 1874276 ZOSOVCMWSWVILP-OFAQMXQXSA-N 262.349 2.835 30 40 CFEB C=C(C)CN1CCC(C(=O)Nc2cccc(C)n2)CC1 58368261 PDAZHRYZAGWOOJ-UHFFFAOYSA-N 273.380 2.617 30 40 CFEB C#Cc1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1 12952245 PGAQJSDFKKZXMG-UHFFFAOYSA-N 290.326 2.510 30 40 CFEB C#Cc1cc(F)c(NC(=O)N2CCO[C@@H](C)[C@@H]2C)c(F)c1 97048750 VTKWYSOJNBIAEO-UWVGGRQHSA-N 294.301 2.587 30 40 CFEB CN(C)c1ccc(/C=N\N=C\c2ccccc2O)cc1 33848943 NQSZXCSEOWBWRN-MJZABRMRSA-N 267.332 2.911 30 40 CFEB N#Cc1ccc(CCC(=O)N[C@H]2CCC23CCOCC3)cc1 585408907 KWNGEBAHWRUSKE-INIZCTEOSA-N 298.386 2.566 30 40 CFEB Cc1c(C(=O)O)oc2c1-c1nc(CC#N)sc1CC2 16778523 NPEXJGNMYPQQAI-UHFFFAOYSA-N 274.301 2.574 30 40 CFEB CC1=C/C(=N\OC(=O)c2cccc(Cl)c2)C=CC1=O 16779834 DVYFCSJUXQUKSP-VBKFSLOCSA-N 275.691 2.938 30 40 CFEB N#Cc1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1 2642284 YOWKNDFOBTURHL-UHFFFAOYSA-N 273.273 2.780 30 40 CFEB C#CCN1CCCC[C@@H]1C(=O)Nc1cccc(C)c1C 40134922 DBVLIRUFBUIFEZ-MRXNPFEDSA-N 270.376 2.730 30 40 CFEB O/N=C1/CCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 100986907 ORIGRXVYHSDBLT-YIQZXQSLSA-N 293.798 2.845 30 40 CFEB CN/C(=N\c1cc(C)nn1CCC#N)c1ccc(F)cc1 8664007 NZQKSERHESHFMM-UHFFFAOYSA-N 285.326 2.542 30 40 CFEB CC1(C)[C@H]2C/C(=N/Cc3cccnc3)[C@](C)(O)[C@@H]1C2 103593364 WTPZHVGWFTXKIG-SSDDTNBSSA-N 258.365 2.840 30 40 CFEB in-vitro C=C[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364264 JBTQEJHRGJHHHA-OSZUESSQSA-N 264.365 2.969 30 40 CFEB biogenic Sc1nnc(-c2ccccc2)n1/N=C/c1ccccn1 1306950 RAQVRZAQWSXSBP-MHWRWJLKSA-N 281.344 2.511 30 40 CFEB Cc1ccccc1CN1CCN(C[C@@H](C#N)CCC#N)CC1 25230377 APBQIRNMEFHMBX-QGZVFWFLSA-N 296.418 2.556 30 40 CFEB Cn1nccc1C1CCN(Cc2ccccc2C#N)CC1 58290046 DCLPUGAQACESAZ-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB COc1ccc(NC(=O)C2(C#N)CCCC2)c(OC)c1 12858079 YOHUDRGCRBJVAF-UHFFFAOYSA-N 274.320 2.726 30 40 CFEB C=CCn1nc(/C=C/c2ccc(OC)cc2)ccc1=O 4041609 GSFQNSUNDBRDLQ-QPJJXVBHSA-N 268.316 2.608 30 40 CFEB C=C=C[C@]1(Cl)C(=O)C(Cl)=C(Cl)C1(OC)OC 4029610 GDPGXNFZLWGBNP-VIFPVBQESA-N 283.538 2.566 30 40 CFEB biogenic COc1ccccc1CC(=O)Nc1ccc(C#N)cc1 4700531 JUBKSZIAWZWHKR-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB biogenic Cn1c(Cl)cnc1/C=C/C(=O)c1ccccc1O 4772728 QBBFQBPTZNVWQY-VOTSOKGWSA-N 262.696 2.675 30 40 CFEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2C)C1=O 409098691 OSRXRGONPPVTSB-LZUGORFDSA-N 262.334 2.636 30 40 CFEB N#Cc1ccc(N(CCO)Cc2cccc(F)c2)cc1 95409317 WBFCDGLQZUIXHU-UHFFFAOYSA-N 270.307 2.696 30 40 CFEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1nccs1 78989257 CCUVDEOXGXHHOI-ZZXKWVIFSA-N 260.274 2.947 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1 42697695 ARXMPJAVRCYDPZ-UHFFFAOYSA-N 288.310 2.501 30 40 CFEB C[C@H](O)C1CCN(c2cc(Cl)ccc2C#N)CC1 98012544 BLWBOSIHUVPIPT-JTQLQIEISA-N 264.756 2.809 30 40 CFEB N#CCC1(COC(=O)c2ccc(F)c(F)c2)CC1 96442792 HNAGSQYCMKIEQC-UHFFFAOYSA-N 251.232 2.815 30 40 CFEB C=CCn1c(C)csc1=Nc1ccc(C(=O)O)cc1 252669717 ILQDDPZTNZNHRH-UHFFFAOYSA-N 274.345 2.975 30 40 CFEB N#Cc1ccccc1Cn1cc(Br)ccc1=O 15572768 VOZGKHSLIAWONU-UHFFFAOYSA-N 289.132 2.531 30 40 CFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccccc1 70535 GTUJYWIZGOLGDY-PDICVPPASA-N 280.418 2.684 30 40 CFEB COc1cccc(C(=O)Nc2sccc2C#N)c1OC 4479372 FUYYDURVJSOQCA-UHFFFAOYSA-N 288.328 2.889 30 40 CFEB CCOC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 40050770 LBKZKXCBQOOGON-UHFFFAOYSA-N 268.272 2.922 30 40 CFEB O=C(Cc1c(Cl)cccc1Cl)/N=C1/NCCS1 344152 QQFBIKDVDZYLQW-UHFFFAOYSA-N 289.187 2.755 30 40 CFEB CCN(CC)c1ccc([C@H](C#N)N2CCO[C@H](C)C2)cc1 41194385 OQAJKFSCQPYXLU-PBHICJAKSA-N 287.407 2.818 30 40 CFEB COc1ccc(-c2ccc(C#N)c(S)n2)c(OC)c1 1298670 KMKMPXIQDJXXRP-UHFFFAOYSA-N 272.329 2.926 30 40 CFEB COC1=CC(=O)C([C@@H](C)c2ccccc2)=C/C1=N/O 104227055 XQQOFRGCEAIAKC-VQZCRYCJSA-N 257.289 2.660 30 40 CFEB Cc1ccc(C(=O)OCc2ccc(C#N)cc2)c(O)c1 3556183 DNBLHMLXPNPYSC-UHFFFAOYSA-N 267.284 2.929 30 40 CFEB C=CCNC(=O)Cc1csc(-c2ccsc2)n1 8271576 KTRAIHQUAOTKSU-UHFFFAOYSA-N 264.375 2.716 30 40 CFEB Cc1nc(C)n(C[C@@H]2CCCN2c2cccc(F)c2C#N)n1 69453384 RNTIVRJFSQGCGK-ZDUSSCGKSA-N 299.353 2.575 30 40 CFEB COc1ccccc1-c1c(C#N)c(N)nc2c1CCC2 18137281 OWKAZQGTIQNUQH-UHFFFAOYSA-N 265.316 2.700 30 40 CFEB N#CCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 71910201 YYLJVUCGVYWIQR-UHFFFAOYSA-N 260.181 2.717 30 40 CFEB CC(C)(C#N)C(=O)Nc1nc(-c2cccnc2)cs1 71971109 DVAMTPCYLPBOSC-UHFFFAOYSA-N 272.333 2.693 30 40 CFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H]1C 97146479 SPVZJSYGPHMZMT-GFCCVEGCSA-N 275.348 2.885 30 40 CFEB CCCN/C(=N/CC)NC[C@@H]1CCO[C@@H]1c1ccccc1 95406379 HYFUKXBXIKIIOD-JKSUJKDBSA-N 289.423 2.729 30 40 CFEB C=CCn1nc(C)c(CCC(=O)NCc2ccco2)c1C 72242966 TUKIBHVRXVOPDA-UHFFFAOYSA-N 287.363 2.528 30 40 CFEB N#Cc1ncccc1N1CCC(C(F)(F)F)CC1 130051027 MTNRHQMOQSTAST-UHFFFAOYSA-N 255.243 2.732 30 40 CFEB C=CCc1cc(CN2CCC[C@@H](OC)C2)cc(OC)c1O 91772453 YSCVIJYOMSPGPJ-OAHLLOKOSA-N 291.391 2.740 30 40 CFEB COc1cccc(C(=O)OCc2ccc(C#N)cc2C)n1 96483320 UTHVKBUCNRRRER-UHFFFAOYSA-N 282.299 2.627 30 40 CFEB NC(=O)c1ccccc1/N=C/c1cc(Cl)ccc1O 98212990 ZPUSBQTYOUQEPN-CAOOACKPSA-N 274.707 2.895 30 40 CFEB COc1ccc2c(c1C)CC[C@@]1(CO)C(C(C)=O)=CC[C@@H]21 1560140 LPRQRIGFEPDRET-FUHWJXTLSA-N 286.371 2.931 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N\N=C\c1ccccc1[N+](=O)[O-] 4974441 SOKNZSTUZCMZHO-CKOAPEAFSA-N 298.258 2.956 30 40 CFEB N#CCN(Cc1ccc(Br)cc1)C1CC1 69373279 HFRDYIVDYCSSTQ-UHFFFAOYSA-N 265.154 2.937 30 40 CFEB COc1ccc(CN/N=C/c2ccccc2)cc1OC 20195938 GMBXUKVFLINGSR-GZTJUZNOSA-N 270.332 2.828 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(Cl)c2)C(=O)O1 3095547 ZJPFWLZDCFWUQD-GJBLVYBDSA-N 290.702 2.568 30 40 CFEB CCN(CC(=O)NC1CCCC1)[C@H](C)c1ccc(C#N)cc1 58245481 PSWFANWEABQVDA-CQSZACIVSA-N 299.418 3.000 30 40 CFEB Cc1cc(C)c(C#N)c(NCCc2ccc3c(c2)OCO3)n1 36385451 BMRKNJGQDZWCHN-UHFFFAOYSA-N 295.342 2.953 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58931109 FRKJGHSOSBYBJU-UHFFFAOYSA-N 296.779 2.574 30 40 CFEB CCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N 5428011 OOTDXHDEAZNCJH-UHFFFAOYSA-N 293.392 2.759 30 40 CFEB Cc1ccc(-n2c(SCC#N)nnc2N2CCCC2)cc1 7256491 CJHRDPLVWUZRTG-UHFFFAOYSA-N 299.403 2.792 30 40 CFEB COc1ccc(CNC(=O)c2ccc(C#N)cc2)c(OC)c1 72331613 CAULCYKUASQVOF-UHFFFAOYSA-N 296.326 2.505 30 40 CFEB COCCN/C(=N/[C@@H](C)c1cccs1)NC1CCCC1 84661283 USOGLQBLGMHHBT-LBPRGKRZSA-N 295.452 2.933 30 40 CFEB COc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)c(C)nn1C 75094028 PSHKSSYVYUBRDS-NSHDSACASA-N 299.330 2.527 30 40 CFEB CCN(CC)c1ccc(/C=N/Nc2ocnc2C#N)cc1 26533128 FIUGFUCRMADQDG-VCHYOVAHSA-N 283.335 2.838 30 40 CFEB CC(C)(C)OC(=O)N[C@H]1CC2=CC(=O)CC[C@@H]2C1 217917138 KXRNOAJRJBOWEU-MWLCHTKSSA-N 251.326 2.579 30 40 CFEB Cc1csc(N/N=C/c2cccc([N+](=O)[O-])c2)n1 197768347 HXKISTIACUEZKI-WUXMJOGZSA-N 262.294 2.806 30 40 CFEB C=CCN(CC(=O)OC)Cc1ccc(Cl)s1 40009446 UWLPRYZQOPEDAJ-UHFFFAOYSA-N 259.758 2.563 30 40 CFEB COCc1cncc2c1CCN(Cc1cccc(C#N)c1)C2 96189275 CXKZRCOXYKIEQE-UHFFFAOYSA-N 293.370 2.658 30 40 CFEB C[C@@H](CNc1nccnc1C#N)Cc1cccs1 96429678 BHPOCIIVZWDVIE-SNVBAGLBSA-N 258.350 2.700 30 40 CFEB CC(C)(C)[C@H]1OCCC[C@H]1CNc1nccnc1C#N 96411321 WNHVEEBRWCEFLX-AAEUAGOBSA-N 274.368 2.601 30 40 CFEB C/N=C1/S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C 208508674 KGLHRANUUCYIBU-SEGNDCOSSA-N 271.345 2.700 30 40 CFEB CC(C)C[C@@H](C#N)NC(=O)C1=NO[C@@H](c2ccccc2)C1 69653324 AIARXKDYEUCFAE-DZGCQCFKSA-N 285.347 2.558 30 40 CFEB C#CCn1cc(CN(C)Cc2ccc(F)cc2C)cn1 92039376 KRGVYIYWORORNV-UHFFFAOYSA-N 271.339 2.596 30 40 CFEB O=C(O)/C(Cl)=C(/Cl)C=NNc1ccccc1 252629885 UPOVJFRBUSNHPY-SIESVSMBSA-N 259.092 2.858 30 40 CFEB C[C@@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 5881001 QJSXZFGMWPPBTD-SNVBAGLBSA-N 270.292 2.574 30 40 CFEB N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccco1 5903752 FQOUIKRFAMJJLB-CYBMUJFWSA-N 250.257 2.971 30 40 CFEB Oc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1 1708405 VKFBDNBNJJAAKU-CXUHLZMHSA-N 289.335 2.852 30 40 CFEB CCOc1ccccc1CNC(=O)c1cccc(C#N)c1 53162103 RCGYGYYJCIIZAG-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB C/C(Cl)=N/OC(=O)Nc1ccc([N+](=O)[O-])cc1 102099761 FUBOKEYHEDZUPI-SDQBBNPISA-N 257.633 2.716 30 40 CFEB Cn1c(NN=C2CCSCC2)nnc1-c1ccccc1 43985640 ACKBYVNWZSVHNE-UHFFFAOYSA-N 287.392 2.777 30 40 CFEB Cc1ccccc1S(=O)(=O)Cc1cccc(C#N)c1 78758139 OANRAQJEKLTEIB-UHFFFAOYSA-N 271.341 2.841 30 40 CFEB O/N=C(\Cc1ccccc1)c1ccc2c(c1)OCO2 104252611 IMPCXJKAARCZFQ-DTQAZKPQSA-N 255.273 2.836 30 40 CFEB C[C@H]1CCc2onc(C(=O)Nc3cccc(C#N)c3)c2C1 20572134 AAEXNJOPFFNKOQ-JTQLQIEISA-N 281.315 2.923 30 40 CFEB CC1CCN(c2oc(-c3cccnc3)nc2C#N)CC1 35672186 XQMNADLEXCDSHX-UHFFFAOYSA-N 268.320 2.845 30 40 CFEB O=C(/C=C/c1cccnc1)c1ccc(N2CCOC2=O)cc1 58250290 CYHKONDWPKVQLX-FPYGCLRLSA-N 294.310 2.934 30 40 CFEB Cc1cc(NC(=O)/C=C/c2ccc(C)o2)n(CCC#N)n1 58225622 NLXBCNKEOHUQGN-VOTSOKGWSA-N 284.319 2.659 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(C#N)cc2F)c1 69597530 ZSOSZFJZTFBKHG-STQMWFEESA-N 286.354 2.942 30 40 CFEB CC(C)c1cccc(OCC(=O)N[C@@](C)(C#N)C2CC2)c1 66276755 IGKOUEFORFTRTR-KRWDZBQOSA-N 286.375 2.997 30 40 CFEB N#Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 7215021 FGSACOLVYNWVCS-OAHLLOKOSA-N 278.311 2.812 30 40 CFEB CN(CCC#N)c1nc(C(F)(F)F)nc2ccccc12 9740994 KTVZDOHRDUWLLG-UHFFFAOYSA-N 280.253 2.998 30 40 CFEB CC[C@@H](Oc1ccccc1F)C(=O)N(C)C1(C#N)CCC1 96500831 ZPKFXQRLCFHXDP-CYBMUJFWSA-N 290.338 2.888 30 40 CFEB NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1 408809164 KLQPAZSCCDUODW-NVMNQCDNSA-N 288.734 2.955 30 40 CFEB N#Cc1ccccc1Cn1cc(Br)cn1 38054253 NFJBCGYOEJQYND-UHFFFAOYSA-N 262.110 2.566 30 40 CFEB C#CCNc1cc(CC)nc2c3c(C)cc(C)nc3nn12 72347820 IHEPAAIXYYZVRL-UHFFFAOYSA-N 279.347 2.502 30 40 CFEB C=CCCC(=O)NC[C@](C)(O)c1cc2ccccc2o1 238936836 VOYPEFFULJJXJM-INIZCTEOSA-N 273.332 2.723 30 40 CFEB COc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1OC 95095944 PMXYAHPASOAYKV-BXKDBHETSA-N 292.253 2.723 30 40 CFEB N#Cc1ccccc1OCCn1ccnc1-c1ccccn1 96404893 LNWBUIFIYVTETB-UHFFFAOYSA-N 290.326 2.896 30 40 CFEB CC1(C)[C@H]2CN(c3ccc([N+](=O)[O-])c(C#N)c3)C[C@@H]21 104431211 ZKPHFVRWIKVJSP-RYUDHWBXSA-N 257.293 2.559 30 40 CFEB N#Cc1ccccc1OCCCn1c(=O)[nH]c2ccccc21 3618368 YHVJPIDQFYEUPK-UHFFFAOYSA-N 293.326 2.670 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 32900733 URUNVYKHYXRFPL-INIZCTEOSA-N 263.296 2.610 30 40 CFEB Cc1ccc(C(=O)O)cc1NC(=O)C1(C#N)CCCC1 262166257 OQTVXYDRQPJZSZ-UHFFFAOYSA-N 272.304 2.716 30 40 CFEB CCOCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100759268 LWVORGVUNADPOT-UHFFFAOYSA-N 293.750 2.532 30 40 CFEB C[N+]1(C)CCC2=CC(=O)C[C@@H](c3ccccc3)[C@H]2C1 1582125 UYXUMLHNMXEDTP-IRXDYDNUSA-N 256.369 2.766 30 40 CFEB CO[C@@H]1C[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 4280500 YEYBRTMMOJKDHE-ZGKBOVNRSA-N 296.388 2.514 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@]2(C#Cc3ccccc3)O[C@@H]2C1 100256894 KGQUBRJIDRISHG-CRAIPNDOSA-N 299.370 2.817 30 40 CFEB CCCCCCCOc1ccc(C(=O)NCCO)cc1 100969241 YEPUTMVXEJRBSC-UHFFFAOYSA-N 279.380 2.758 30 40 CFEB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C#N)cc1 12534281 JZOKMBABRHXIGP-UHFFFAOYSA-N 293.370 2.896 30 40 CFEB C=C(C)CN(CC)C(=O)CN(C)Cc1ccccc1OC 48374723 UVHAQXVSMKPXGH-UHFFFAOYSA-N 290.407 2.552 30 40 CFEB O=C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccncc1 8672641 RWXYPHWLEQOLNY-QGOAFFKASA-N 287.706 2.585 30 40 CFEB N#C[C@H]1C(=O)Nc2c(cnn2C2CCCC2)C12CCCC2 9428950 BDAUUXUZDXNZNQ-LBPRGKRZSA-N 284.363 2.902 30 40 CFEB CN(C)c1ccccc1NC(=O)NCc1cccc(C#N)c1 44081233 OPATWXMBTGZZPC-UHFFFAOYSA-N 294.358 2.946 30 40 CFEB CCCn1nc(OCc2ccc(C)cc2)c(C#N)c1N 225830797 OOIZWTOBLCCTRC-UHFFFAOYSA-N 270.336 2.634 30 40 CFEB CN(C)c1ccc([N+]([O-])=Cc2ccccc2[N+](=O)[O-])cc1 245239387 IKNFHMHDURQCKV-UHFFFAOYSA-N 285.303 2.922 30 40 CFEB Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 75979 UFWOSOSCNQXBCY-VCHYOVAHSA-N 265.316 2.527 30 40 CFEB CC(C)OC(=O)N[C@@H]1Cc2[nH]c3ccc(C#N)cc3c2C1 115410497 PHVMCWNVJBLADG-NSHDSACASA-N 283.331 2.641 30 40 CFEB in-vitro CN(C)/N=C(/S)Nc1cccc(C(F)(F)F)c1 13659044 OJYFWMRPMRXROS-UHFFFAOYSA-N 263.288 2.880 30 40 CFEB CC(=O)C1=C(O)C(=O)N(CC#N)[C@@H]1c1ccc(C(C)C)cc1 813555 QLNNWLAVGPZKEK-OAHLLOKOSA-N 298.342 2.618 30 40 CFEB Cc1csc(N2CCN(Cc3ccccc3C#N)CC2)n1 61159274 ULFLYYWGEZNIFG-UHFFFAOYSA-N 298.415 2.645 30 40 CFEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1ccoc1 47025397 XGMLIWKYFICJJY-UHFFFAOYSA-N 272.279 2.953 30 40 CFEB CCn1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cn1 58230276 DIQDEXMOGRPRQB-FNORWQNLSA-N 286.331 2.816 30 40 CFEB O=C(O)/C(=C\C(=O)c1ccccc1)Nc1ccccc1 2332478 YHFPFWGKTZTMBI-SDNWHVSQSA-N 267.284 2.950 30 40 CFEB N#Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 17526932 FDYSLINMQGNMET-KRWDZBQOSA-N 292.338 2.957 30 40 CFEB N#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 69434147 NQSBTRSVIHLABT-ZIAGYGMSSA-N 274.751 2.958 30 40 CFEB N#Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 4138514 GEGKPHCFWSKGLE-UHFFFAOYSA-N 291.354 2.521 30 40 CFEB N#Cc1ccc(CN2CCC[C@H](N3CCCC3)C2)cc1 65587470 DJWYSDNNWBJSJB-KRWDZBQOSA-N 269.392 2.618 30 40 CFEB CCn1cc(/C=C/C(=O)c2ccccc2O)c(C)n1 71784810 ZBMWLMXQXQLFCU-CMDGGOBGSA-N 256.305 2.813 30 40 CFEB CCOc1cc(C#N)ccc1OC(=O)c1cncc(C)c1 74233779 LGKNKEKZPNJLKB-UHFFFAOYSA-N 282.299 2.880 30 40 CFEB N#CCCCn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 89768340 QRLOVOOOOBCIPF-UHFFFAOYSA-N 296.161 2.874 30 40 CFEB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)cc1C#N 225797098 QHVWQDNUHAPNTK-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB C=CCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225277398 RLAMNIVBWDSSEA-UHFFFAOYSA-N 289.404 2.594 30 40 CFEB C=CCN1CC[C@]2(CN(Cc3ccsc3)C[C@H]2C)C1=O 96201672 GZUMJLSHLCUZQX-CZUORRHYSA-N 290.432 2.605 30 40 CFEB N#Cc1cnccc1/C=C/c1ccc([N+](=O)[O-])c(O)c1 390834533 AWYKWJCLSVVWGS-HNQUOIGGSA-N 267.244 2.737 30 40 CFEB C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C(=C)C(=O)O)C[C@H]12 72319961 OJYAVFSVHFLUKN-QVHKTLOISA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CCCOc1ccc(/C=N/n2c(C)nnc2S)cc1 5410232 GIWFZJPTIJSZLI-NTEUORMPSA-N 276.365 2.546 30 40 CFEB O=C1O[C@@H](C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1 885164204 SGSWJXYTCGHECL-PVQJCKRUSA-N 292.053 2.948 30 40 CFEB COc1cccc(C(=O)c2c(N)c(C#N)c3ccccn23)c1 9316393 UANIFWNSWLUNNE-UHFFFAOYSA-N 291.310 2.633 30 40 CFEB C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C#N)C1 188225 JUXZVNMPMFIMFP-MRVPVSSYSA-N 292.360 2.548 30 40 CFEB O=S(=O)(/N=C/c1cccs1)c1ccccc1 66176 NGJBTQLCODSBAU-FMIVXFBMSA-N 251.332 2.556 30 40 CFEB C[C@@H](CC(N)=O)NCc1ccc(-c2ccccc2C#N)cc1 91412150 WMLGQBRJUGBXJH-ZDUSSCGKSA-N 293.370 2.579 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 6927182 JVIFVEGWXZKIQP-YUTCNCBUSA-N 272.348 2.676 30 40 CFEB O=C1C=CC(=O)C(c2ccccc2Br)=C1 507890 GAAMRZOOFCKTTG-UHFFFAOYSA-N 263.090 2.541 30 40 CFEB N#Cc1ccccc1Cn1cc(Br)ccc1=N 22018631 DVYXEPBUNQACBK-UHFFFAOYSA-N 288.148 2.650 30 40 CFEB N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1 42251264 KDKRRQORUZOKFU-JKSUJKDBSA-N 256.349 2.702 30 40 CFEB CN1CCC(=O)N(/N=C/c2ccccc2)[C@H]1c1ccccc1 55120875 ODBRVFKJHOJBRR-OGBKAESYSA-N 293.370 2.883 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C/c2c(C)[nH]c3ccccc23)C1=O 3305769 FNFLNQMZSUFFJT-UWNXQOIWSA-N 298.346 2.531 30 40 CFEB Cc1ccccc1-c1nnc(SCCC#N)n1C 3405865 PQOQDNZHCLMPCG-UHFFFAOYSA-N 258.350 2.796 30 40 CFEB N#Cc1cccc(C(=O)N[C@H]2CCCc3occc32)c1 12946867 RLCAQFDHBVBOCS-AWEZNQCLSA-N 266.300 2.959 30 40 CFEB CC[C@@H](C#N)NC(=O)/C=C/c1csc(Br)c1 95397816 ABNYAKQQKNBUNI-NWALNABHSA-N 299.193 2.942 30 40 CFEB N#CCCSc1ccccc1NC(=O)[C@H]1CCCO1 95953558 ZMORRLFGDGCMNG-GFCCVEGCSA-N 276.361 2.810 30 40 CFEB Cc1ccc([C@@H]2CN(CCCC#N)CCO2)c(C)c1 75786044 YVILCFDCIOGYFG-INIZCTEOSA-N 258.365 2.981 30 40 CFEB COc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1OC 95095943 PMXYAHPASOAYKV-SKDRFNHKSA-N 292.253 2.723 30 40 CFEB CNc1ccc(Nc2ncc(C#N)cc2Cl)cn1 96406235 XQGGZRDXGATSLM-UHFFFAOYSA-N 259.700 2.787 30 40 CFEB CCN(C(=O)[C@H]1OCC[C@H]1C)c1ccc(C#N)c(Cl)c1 91207022 NPJJIXAQXLDUGH-YGRLFVJLSA-N 292.766 2.990 30 40 CFEB COc1ccc(CCN(C)c2cc(C#N)ccn2)cc1 1149128427 QNDLAFYRMJXRAU-UHFFFAOYSA-N 267.332 2.641 30 40 CFEB CC(=O)/C(=C/c1cccc(Cl)c1)C(=O)CCN(C)C 1590151 DTVNEEZICKNLLI-UVTDQMKNSA-N 279.767 2.833 30 40 CFEB N#Cc1cccc(S(=O)(=O)NC2CCCCCC2)c1 7376065 KOZCATVECDGTPJ-UHFFFAOYSA-N 278.377 2.559 30 40 CFEB CC[C@@H]1CCCCN1C(=S)N/N=C(\C)c1ccccn1 17125307 MZACWVULBYILQW-LVLBFHFTSA-N 290.436 2.945 30 40 CFEB C=C(C)Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 1775968566 RIWDBVMHTBCFIP-UHFFFAOYSA-N 283.306 2.878 30 40 CFEB C=C(C)CSc1nncn1/N=C/c1ccc(OC)cc1 90612 WPTCXMMAUXKQBK-LZYBPNLTSA-N 288.376 2.837 30 40 CFEB N#Cc1nc(-c2cccs2)oc1NCCCn1ccnc1 16806157 NOJPVNPGDBKYMP-UHFFFAOYSA-N 299.359 2.973 30 40 CFEB C#CC(C)(C)OC(=O)/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 4701383 OJFOSOPSIPJWLB-QZXNXJAKSA-N 274.360 2.893 30 40 CFEB C#CCOc1ccc(C(=S)N2CCCCC2)cc1OC 107558726 FCDRSQHOZJHQFU-UHFFFAOYSA-N 289.400 2.869 30 40 CFEB CCN(CC)C(=O)CN(C)c1ccc(C#N)c(Cl)c1 61851030 KBDFFOIAAXVRKR-UHFFFAOYSA-N 279.771 2.516 30 40 CFEB C[C@@H]1CCC[C@H](NC(=O)CNc2ccc(C#N)cc2)C1 49137508 ZIXUFIJSDRTGQA-DOMZBBRYSA-N 271.364 2.665 30 40 CFEB Cn1ncc2c1CC/C(=C\c1ccc(O)c(Cl)c1)C2=O 49372062 AJQNRLUGRRBCQT-UXBLZVDNSA-N 288.734 2.992 30 40 CFEB CN(C)CCN(C)CC(C)(C)C(=O)/C=C\c1ccccc1 23477932 PJQUFKJSEWGUPU-QXMHVHEDSA-N 288.435 2.789 30 40 CFEB CCc1ccc(N/C(N)=N/Cc2c(C)noc2C)cc1 75583783 KHORSFQHXUPZMP-UHFFFAOYSA-N 272.352 2.781 30 40 CFEB N#CC1(CSc2nnc(-c3ccncc3)o2)CC1 95452317 SFPQLCTXHMDFIW-UHFFFAOYSA-N 258.306 2.527 30 40 CFEB CC(C)(C)n1cc(NC(=O)COc2ccc(C#N)cc2)cn1 95956395 HAPZHNCNODBQQE-UHFFFAOYSA-N 298.346 2.527 30 40 CFEB O=C(O)c1ccc(Cn2cc(C=NO)c3ccccc32)o1 408541340 FYSPNSHRPGXUTO-UHFFFAOYSA-N 284.271 2.789 30 40 CFEB CC(=O)NCCCNc1nc2c(C)cc(C)cc2cc1C#N 35312781 DUYVJELOOGFFKC-UHFFFAOYSA-N 296.374 2.661 30 40 CFEB O=S(=O)(CC1CC1)/N=C(\O)[C@@H]1CCCc2ccccc21 73539149 YVZMDOYVBUSBHN-CQSZACIVSA-N 293.388 2.803 30 40 CFEB Cc1cc(=O)nc(N/N=C\c2ccc(Cl)c(Cl)c2)[nH]1 31667441 HHSKQLLJGGYGMS-UUASQNMZSA-N 297.145 2.831 30 40 CFEB CC[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 72208070 UBMWZRIKUVTGMN-RISCZKNCSA-N 255.358 2.813 30 40 CFEB CCc1nc(SCc2ccccc2)nc(N)c1C#N 225891449 GFORNRWRKUJGBA-UHFFFAOYSA-N 270.361 2.785 30 40 CFEB Cc1csc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 43532890 OSKIGNPWPNNWTF-UHFFFAOYSA-N 298.415 2.645 30 40 CFEB C=CCCC(=O)Nc1nc(-c2ccncc2)ns1 96009996 GZGZMOMWGHHPCB-UHFFFAOYSA-N 260.322 2.505 30 40 CFEB N#CCn1cc(C(=O)C(F)(F)F)c2ccccc21 2492270 XSXULUVUGYFFHU-UHFFFAOYSA-N 252.195 2.910 30 40 CFEB C[C@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 46047000 HHABOAHEXIBSAJ-LBPRGKRZSA-N 257.337 2.642 30 40 CFEB COc1ccc(C(=O)/C=C(\O)C(F)(F)F)cc1OC 101774627 FSJGPQVLROEHOE-WDZFZDKYSA-N 276.210 2.891 30 40 CFEB COC(=O)/C(C#N)=N/Nc1ccc(Oc2ccccc2)cc1 358179 GFFMGNSDPLRGAX-XDJHFCHBSA-N 295.298 2.943 30 40 CFEB CC(=O)[C@H]1N=Nc2c(C#N)c(-c3ccccc3)nn21 6022664 JMEKOYFEKKTHNM-LBPRGKRZSA-N 251.249 2.607 30 40 CFEB C=C[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@H]1OCc1ccccc1 8700264 NSJZJRZQKBXUTL-QPSCCSFWSA-N 276.332 2.634 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1cc(Cl)c(Cl)n1C 57309081 QGOWCAYDKYHOHS-ZETCQYMHSA-N 274.151 2.564 30 40 CFEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/O)o1 20228741 CLQREJOARWEVMX-NTUHNPAUSA-N 262.221 2.672 30 40 CFEB CCN(CCC#N)S(=O)(=O)/C=C/c1ccc(C)cc1 65626876 GDVBBTQDTSUQDN-FMIVXFBMSA-N 278.377 2.531 30 40 CFEB Cc1ccc(/N=C(/NC(N)=S)c2ccccc2)cc1 15636911 DNZRAOJYGQTUGD-UHFFFAOYSA-N 269.373 2.907 30 40 CFEB N#Cc1cc(N)ccc1Nc1ccc(Cn2cncn2)cc1 20135071 LMCBLIGVOHGVDD-UHFFFAOYSA-N 290.330 2.524 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)CC2CC2)c1C 75582809 WWCVPTLASPYDBX-UHFFFAOYSA-N 287.363 2.600 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](C(=O)O)C2)cc1Cl 61845188 NQBHMJZCICCFNB-SNVBAGLBSA-N 264.712 2.513 30 40 CFEB NC(=O)C(/N=N/c1ccccc1)=N\Nc1ccccc1 38144566 NOGZBQFGZUFPOF-XVAPFDQUSA-N 267.292 2.681 30 40 CFEB CCN1CCN(c2nsc(-c3ccccc3)c2C#N)CC1 46088105 RNWRHILTXDBWAG-UHFFFAOYSA-N 298.415 2.824 30 40 CFEB CC(C)[C@H](C/C(O)=N/S(C)(=O)=O)c1ccccc1 78410933 URWXCCYNCZBGDB-LBPRGKRZSA-N 269.366 2.732 30 40 CFEB CCOC(=O)[C@H]1O[C@@]1(C)c1cccc(Br)c1 85657696 SWPUQKJOQHZAJP-PWSUYJOCSA-N 285.137 2.626 30 40 CFEB CCCn1c(C#N)cc(N)c1OCCC(C)(C)OC 225877914 VFTPPBJYHMVGQL-UHFFFAOYSA-N 265.357 2.546 30 40 CFEB C=CCNC(=O)CCc1ccc(OCC)c(OCC)c1 44845507 RZFDHDLWCKJVNM-UHFFFAOYSA-N 277.364 2.719 30 40 CFEB COc1cc(C[C@H](C#N)C(=O)Nc2ccccc2)ccc1O 49898091 ASSDHVXTBGSOEP-CYBMUJFWSA-N 296.326 2.722 30 40 CFEB CN(Cc1ccncc1)c1ccc(Cl)c(C#N)n1 96429123 NYUAEHACYALNBS-UHFFFAOYSA-N 258.712 2.638 30 40 CFEB C=CCNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 252479442 BFFOWTVQXVVYQQ-UHFFFAOYSA-N 299.374 2.548 30 40 CFEB O=C(C#Cc1ccccc1)C(F)(F)Br 200427468 YSSDJJVIKNNEIO-UHFFFAOYSA-N 259.049 2.595 30 40 CFEB O=C(O)/C(Cl)=C(Cl)/C=N/Nc1ccccc1 153056 UPOVJFRBUSNHPY-MZXXYDPMSA-N 259.092 2.858 30 40 CFEB C#CCN[C@@H](C)c1ccc(I)cc1 37184851 DEMRVYMWCIPVNG-VIFPVBQESA-N 285.128 2.575 30 40 CFEB N#Cc1ccc(Cl)cc1Nc1nccn(C2CC2)c1=O 1565522611 VRJUEMVKYQEMSA-UHFFFAOYSA-N 286.722 2.847 30 40 CFEB N#Cc1cn(Cc2ccccc2)c2ccccc2c1=O 1582997 JDLWGUREZJDITC-UHFFFAOYSA-N 260.296 2.921 30 40 CFEB CCCCCCCCCCn1cnc2c(=O)[nH]c(N)nc21 1652235 NODOVYZHIJNGML-UHFFFAOYSA-N 291.399 2.843 30 40 CFEB C[C@H](NC(=O)[C@@]12C=CC(=O)[C@@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 103926263 SHGFSCRXFLSRDX-MZPUCATLSA-N 293.366 2.811 30 40 CFEB Cc1cccc(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)c1C 54288550 GFFUXOIEGBBKEN-KRWDZBQOSA-N 285.391 2.548 30 40 CFEB N#C/C(=N\Nc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 108380852 JIVQHSMQWQFVOC-PXLXIMEGSA-N 286.298 2.774 30 40 CFEB N#Cc1ccc(CS(=O)(=O)c2cc(F)ccc2F)cc1 47637801 YBSAYDUYRHMEHM-UHFFFAOYSA-N 293.294 2.810 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)C=C/C1=N/O 101838252 DZFUMKYXWIWTMJ-XQRJRSGTSA-N 261.321 2.681 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CCc2ccccc21 3445461 MOVLBVVZOOBHDN-UHFFFAOYSA-N 278.311 2.526 30 40 CFEB C=CCNC(=O)COc1c(Cl)cccc1Cl 12931710 GICAPVQMCOJUJY-UHFFFAOYSA-N 260.120 2.674 30 40 CFEB CC(C)(C)C(=O)[C@H]1C[C@@H](C#N)[C@@H]2c3ccccc3C=NN12 5112158 SESLBGVVYHWEEQ-NWANDNLSSA-N 281.359 2.904 30 40 CFEB CC(C)(C)c1csc([C@H]2CN(CCC#N)CCO2)n1 65513219 PIKYZOFCNNVPCI-LLVKDONJSA-N 279.409 2.728 30 40 CFEB CC(=O)Nc1ccc(NC(=O)C2(C#N)CCCC2)cc1 7334613 AGVWUKDFSXHGTO-UHFFFAOYSA-N 271.320 2.667 30 40 CFEB C/C(=N\OCc1cc(C)no1)c1ccc2c(c1)CCO2 98055580 QKBHCFPAZLZPSZ-GZTJUZNOSA-N 272.304 2.859 30 40 CFEB N#CC1(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCC1 98013232 XSARHAMAKPYLPE-JQWIXIFHSA-N 276.286 2.631 30 40 CFEB Cc1ccc(/N=C/c2[nH]nnc2[Si](C)(C)C)c(C)c1 221821362 DVCCPJZZHHTEAE-OQLLNIDSSA-N 272.428 2.717 30 40 CFEB COC(=O)c1c[nH]c(S[C@H](C)c2ccc(C#N)cc2)n1 193549384 ZWXVFCRAOOSCNP-SECBINFHSA-N 287.344 2.921 30 40 CFEB C=C(Cl)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 195544667 YSWBBZMLDXDBTG-CMPLNLGQSA-N 288.819 2.974 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/c1cccc(CO)c1 65471 MLTCVFFZYKDJDM-OQLLNIDSSA-N 256.261 2.838 30 40 CFEB C=CCNC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 30007360 UMBJRWLJJGYMIU-AWEZNQCLSA-N 287.407 2.780 30 40 CFEB COc1ccc(C(=O)Oc2cccc(C#N)c2)cc1OC 40159453 MRMMBQUTNOFFKA-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB CCOC(=O)/C(=N/Nc1ccccc1)C(=O)c1ccccc1 100206519 CDKWNUHGHPERAP-XDJHFCHBSA-N 296.326 2.901 30 40 CFEB Cc1nc(S[C@@H](C)C(=O)O)c(C#N)c(C)c1Cl 110922 WSTMMZAZOHLFLK-ZETCQYMHSA-N 270.741 2.789 30 40 CFEB O=C(c1ccccc1)c1ccc(OC[C@H]2CO2)cc1 1607169 LJRIZGQRKVWXSI-HNNXBMFYSA-N 254.285 2.695 30 40 CFEB N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cn[nH]c2)c1 102803165 YCXCZISNULLLKK-UHFFFAOYSA-N 293.233 2.527 30 40 CFEB C=CCN(CC=C)C(=O)c1cc2ccccc2oc1=O 2757002 JFXZJTHDRCPQRN-UHFFFAOYSA-N 269.300 2.607 30 40 CFEB CCc1nc2ccccc2n1CC(=O)N(CC)C[C@@H](C)C#N 53172461 FKMBGBRGSDMQFO-ZDUSSCGKSA-N 298.390 2.607 30 40 CFEB O=C1CCCN1CCC/N=C/c1c(O)ccc2ccccc12 102909253 CVPFEOXBPTVUGK-CPNJWEJPSA-N 296.370 2.977 30 40 CFEB CCCOc1ccc(/C=N/NC(C)(C)C)c(O)c1 3255054 SMQIKQMSVGADOZ-XNTDXEJSSA-N 250.342 2.903 30 40 CFEB COc1cccc(C(=O)COC(=O)c2ccc(C#N)cc2)c1 10807611 WPNZFVPIHLSNJB-UHFFFAOYSA-N 295.294 2.607 30 40 CFEB C#CCNC(=O)CS[C@@H](C)c1c(F)cccc1F 49065122 KLFBXPGXSRXHBZ-VIFPVBQESA-N 269.316 2.508 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccccn1 3917295 WDIILZOTCNLNBN-VCHYOVAHSA-N 251.293 2.794 30 40 CFEB C=CCNC(=O)CNc1ccc2c3c(cccc13)CC2 9220497 JNFPWWZLAGLBTG-UHFFFAOYSA-N 266.344 2.653 30 40 CFEB COc1ccccc1C[C@H]1CCCN(CCC#N)C1 66894875 QFFWGNXLIQTGFI-CQSZACIVSA-N 258.365 2.863 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 8105334 GOGSPFMSMHHPAD-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CSC[C@@H](C)C(=O)N[C@H](C#N)C1CCCCC1 96451391 NWKJJJBYDWSBPP-ZYHUDNBSSA-N 254.399 2.574 30 40 CFEB CC[C@H](C[C@@H](C)CO)Nc1ccc(C#N)cc1F 76083624 ACTAVFLFHQGDKS-ZYHUDNBSSA-N 250.317 2.906 30 40 CFEB Cn1nccc1/C=C/C(=O)c1c(Cl)nc2sccn12 95401552 SFYIJLZJFMMHTP-NSCUHMNNSA-N 292.751 2.679 30 40 CFEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1ccccc1O2 40545996 XBTWDLDKBFSFGD-OAHLLOKOSA-N 257.289 2.984 30 40 CFEB CC(C)Cc1nnc(NC(=O)C2(C#N)CCCC2)s1 52773360 CGGSHIIEMFPVFO-UHFFFAOYSA-N 278.381 2.759 30 40 CFEB N#Cc1cc(COc2cccc3c2NC(=O)CO3)ccc1F 91598065 AFLMSSMBJXYOQE-UHFFFAOYSA-N 298.273 2.607 30 40 CFEB CSC(=S)N/N=C/c1ccc2ccccc2n1 5527649 QLFMRPSRHPKZMB-MDWZMJQESA-N 261.375 2.806 30 40 CFEB CN(c1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1 50009230 GPPYHBVPMRWVGB-UHFFFAOYSA-N 290.319 2.522 30 40 CFEB CC(=O)/C=C(\C)NC[C@@H]1[C@H](CC(C)(C)O)C1(C)C 100746244 PLDPITSWSSSZRY-APIKWLIHSA-N 253.386 2.502 30 40 CFEB biogenic O[C@@H](C#C[C@H](O)C1CCCCC1)C1CCCCC1 1683855 XPFSGHNYNKITHN-HOTGVXAUSA-N 250.382 2.872 30 40 CFEB CCn1nc(C)cc1C(=O)N(CCC#N)c1ccccc1 75496545 JHNCUOHKTAJTHH-UHFFFAOYSA-N 282.347 2.772 30 40 CFEB COc1cc([N+](=O)[O-])ccc1N/C=C1/CCCC1=O 102960832 FMVDIRFHWSMLBE-HJWRWDBZSA-N 262.265 2.652 30 40 CFEB N#Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 999012 OMUARJOKCLCAGJ-UHFFFAOYSA-N 281.271 2.648 30 40 CFEB Cc1ccccc1OCCCn1nc(C)c(C)c(C#N)c1=O 58294719 IOJMJEZLIGIKPO-UHFFFAOYSA-N 297.358 2.509 30 40 CFEB O=C(O)c1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1 11335912 QXAJQHKIHULNPO-XYOKQWHBSA-N 280.279 2.913 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)COc1cccc(Cl)c1 3535139 DQZLKUPCPCVJCA-CQSZACIVSA-N 280.755 2.773 30 40 CFEB COCCOc1nc(C(C)C)c2c(c1C#N)CCC2 13691041 ODZFMISJCYGHMX-UHFFFAOYSA-N 260.337 2.591 30 40 CFEB N#Cc1c(S)nc(N2CCCC2)c2c1CCCC2 18178010 JMUBOAMZUDICID-UHFFFAOYSA-N 259.378 2.721 30 40 CFEB N#Cc1c(COC(=O)c2cccc(O)c2)cn2ccccc12 14851711 GLWOEHSDNPQVEZ-UHFFFAOYSA-N 292.294 2.874 30 40 CFEB COc1cccc(/C=N/Nc2nc(C)cc(C)n2)c1 4878116 IWBPDRNNZIAFEW-OQLLNIDSSA-N 256.309 2.548 30 40 CFEB Cc1noc(C)c1C(=O)OCc1ccccc1C#N 7006406 RIABIQVESKHMTQ-UHFFFAOYSA-N 256.261 2.520 30 40 CFEB C=C(Cl)CN1CCC[C@@H]1c1nncn1CC(C)C 71915950 SQPOTAAMLPEDRD-GFCCVEGCSA-N 268.792 2.824 30 40 CFEB C=C(Br)CN(C)C[C@@H](O)c1ccc(F)cc1 71909974 ZMDTUHKYASGAKX-GFCCVEGCSA-N 288.160 2.700 30 40 CFEB C=C(Cl)CN(C)c1cc(OC)c(OC)c(OC)c1 76040285 DVJBQSWETRNTLU-UHFFFAOYSA-N 271.744 2.901 30 40 CFEB C[N+](C)(CC(=O)Nc1cc(F)ccc1F)C1CCCC1 24156053 CRKURPCEDKBYNV-UHFFFAOYSA-O 283.342 2.922 30 40 CFEB C[C@H](Nc1ccc(C#N)cn1)[C@H](O)c1ccc(F)cc1 78673109 HTYKJUFROWFVJP-BONVTDFDSA-N 271.295 2.626 30 40 CFEB CC(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1C 409112500 DKFNCVCLTAFFLI-UHFFFAOYSA-N 285.328 2.778 30 40 CFEB C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)O)c2ccccc21 192948653 NXYHGBXAASAMDL-AAEUAGOBSA-N 273.332 2.804 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1 89505704 MAZUKJIWMSRSLO-NSHDSACASA-N 281.359 2.760 30 40 CFEB Fc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1 95095923 XEPWDPZPVJDBEM-ZJUUUORDSA-N 250.191 2.845 30 40 CFEB Cc1cc(C)n(C[C@H](C)Nc2ccc(Cl)c(C#N)n2)n1 96429280 QXJVJCIMQDQJHQ-JTQLQIEISA-N 289.770 2.921 30 40 CFEB C=CCN(CC=C)C(=O)c1cccc(NC(=O)N(C)C)c1 71916114 KQRHFCZQKXFCQB-UHFFFAOYSA-N 287.363 2.594 30 40 CFEB O=c1c2ccccc2nc(CS)n1-c1ccccc1 5364184 PWWPQTKQVSPWSH-UHFFFAOYSA-N 268.341 2.816 30 40 CFEB COc1cccc(/C=C2\CC[C@@H](CN(C)C)C2=O)c1 17198775 QXCONXOZKDRDML-SSUFTNFISA-N 259.349 2.619 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/N=C/c2cccc([N+](=O)[O-])c2)c1 1639604 OFKOPKJTGHUWLZ-KAVGSWPWSA-N 298.258 2.956 30 40 CFEB C=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10714862 BEDRRUYIULPXPY-UHFFFAOYSA-N 292.335 2.875 30 40 CFEB Cn1ncc(C#N)c1NC(=O)c1ccc(Cl)c(Cl)c1 11226349 IPYMBFCWMFESGY-UHFFFAOYSA-N 295.129 2.851 30 40 CFEB O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc(O)c1 20987400 FYGFZMQDCNGADI-LCYFTJDESA-N 288.372 2.895 30 40 CFEB Cn1c(SCC#N)nnc1-c1ccc(Cl)cc1 3506945 NWTQYOXNBDHUFN-UHFFFAOYSA-N 264.741 2.751 30 40 CFEB N#CCOc1ccccc1/C=N/Nc1nc2ccccc2[nH]1 4113177 VXYOPCBMEYSGKH-WOJGMQOQSA-N 291.314 2.911 30 40 CFEB CC(C)(C)OC(=O)N1CCc2ccc(C#N)cc2C1 66322431 MTJCWHXEMJVTBX-UHFFFAOYSA-N 258.321 2.851 30 40 CFEB CCOCCC1(CNC(=O)c2ccc(C#N)cc2)CCC1 97016717 RNBNFGGSBCHYNE-UHFFFAOYSA-N 286.375 2.885 30 40 CFEB CC[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCO1 97111095 OZZDEXYJXNPOQV-HUUCEWRRSA-N 262.328 2.745 30 40 CFEB N#Cc1c(Cl)nsc1NCC[C@@H]1CCCO1 95951648 RWBFHNDPRRJXAQ-ZETCQYMHSA-N 257.746 2.649 30 40 CFEB CC(C)Cn1nc(Cc2ccccc2F)c(C#N)c1N 225834438 WAFVZJZWFDNPSA-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB Cc1cc(Cl)cc(Cl)c1OC(C)(C)C(=O)NO 226290811 RGUPZVHOYLOHGX-UHFFFAOYSA-N 278.135 2.965 30 40 CFEB C[C@@H](C#N)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 97372018 QMKDAFXYLNIRJY-RYUDHWBXSA-N 279.334 2.555 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(C)nc1)C2 96071442 WGNZNKDUNBFAMG-SFHVURJKSA-N 299.418 2.647 30 40 CFEB COc1ccc(-c2cc(C)nc(N)c2C#N)cc1OC 19095817 NEFRJPIJDUYADK-UHFFFAOYSA-N 269.304 2.528 30 40 CFEB COc1ccc(C(=O)/C=C\c2ccncc2)c(O)c1 17313944 NDCUPZSBKRPIAM-DJWKRKHSSA-N 255.273 2.692 30 40 CFEB O/N=C1C(=N\O)/N(c2ccccc2)CN/1c1ccccc1 18252048 SUZOTEFUYJONQA-QUDUTFMFSA-N 282.303 2.546 30 40 CFEB CN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 3438857 WUWPOFYXMPCGIQ-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB COc1ccc(Nc2ccc(N)cc2C#N)c(OC)c1 20135032 ULPCWHWANMUJNZ-UHFFFAOYSA-N 269.304 2.901 30 40 CFEB CCC/C=N/N=C(N/N=C/CCC)N/N=C/CCC 100930576 ZWHHUEBDBQIPGJ-CESAMCJNSA-N 266.393 2.879 30 40 CFEB Cc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 1295898 SNBBGQVXDNUNDG-LICLKQGHSA-N 295.371 2.819 30 40 CFEB C=CCn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O 1400204 YEIWAXMYJGLJDB-UHFFFAOYSA-N 288.734 2.940 30 40 CFEB COc1ccc([C@H]2CCN(c3ncccc3C#N)C2)cc1 58217741 PXPOHFUIHSQOCL-HNNXBMFYSA-N 279.343 2.956 30 40 CFEB CN(C)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 12763343 LPWZVKFXLIIMEZ-UHFFFAOYSA-N 278.355 2.534 30 40 CFEB Cc1cccc2nc(C(=O)Nc3sccc3C#N)cn12 8343114 PTYPDLBFIXTDRE-UHFFFAOYSA-N 282.328 2.828 30 40 CFEB Cc1cc(NC(=O)/C=C/c2ccc(OCC#N)cc2)ccn1 72281118 BMAIZKXXGDUQAR-QPJJXVBHSA-N 293.326 2.944 30 40 CFEB N#Cc1ccc(Oc2ccc(C(=O)N3CCCC3)cc2)nc1 78488815 IKDDLAISPGPRCD-UHFFFAOYSA-N 293.326 2.982 30 40 CFEB O=S(=O)(CC1CC1)/N=C(\O)c1cccc2ccccc12 73539086 WVYODTSDWULLPQ-UHFFFAOYSA-N 289.356 2.884 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1 96041505 JJSMSIIIDFGWAK-RRFJBIMHSA-N 279.405 2.683 30 40 CFEB CC(C)[C@H](C)S[C@H](C(N)=O)c1ccc(C#N)cc1 95403429 IXQBMOXWHUEMIY-GWCFXTLKSA-N 262.378 2.862 30 40 CFEB CCCCC[C@@H](O)C#Cc1cc(OC)cc(OC)c1 95631983 NLIFLCXWEZKMJP-CQSZACIVSA-N 262.349 2.997 30 40 CFEB Cc1cccc(-c2c(S(C)(=O)=O)sc(N)c2C#N)c1 96532112 ZMINVDUQLCQBNC-UHFFFAOYSA-N 292.385 2.581 30 40 CFEB CCCN(CCC)c1nn(-c2ccccc2OC)nc1C#N 256048668 VINWIABAKOEIMU-UHFFFAOYSA-N 299.378 2.774 30 40 CFEB Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)no1 47956011 OJGHCYKDMPGIJS-SNVBAGLBSA-N 270.292 2.737 30 40 CFEB N#Cc1ccc(NC2CCC3(CC2)OCCO3)cc1 19951490 HUKQYCYQOXKHQZ-UHFFFAOYSA-N 258.321 2.656 30 40 CFEB O=[N+]([O-])c1cccc(/N=C/c2cccc(O)c2O)c1 65250 HVVAPTGSJJLYHM-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB CC[C@H](C#N)NC(=O)[C@H](C)Oc1ccccc1Cl 69558364 UQYINGQQBHEDMR-VHSXEESVSA-N 266.728 2.526 30 40 CFEB N#Cc1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc1 29528221 UODCEMCRFMVAKR-OAHLLOKOSA-N 283.306 2.670 30 40 CFEB COC1=NCc2ccccc2[C@]2(OC)C(C)(C)[C@]12C#N 1582139 ALMUTWXPWMCMAX-HOTGVXAUSA-N 270.332 2.637 30 40 CFEB CC(C)N1CC[C@H](CNc2cccc(F)c2C#N)C1 60355886 NAAMBKAJMKPXGT-GFCCVEGCSA-N 261.344 2.840 30 40 CFEB Oc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1O 10118843 FRIAPSSBWWELFH-RQZCQDPDSA-N 276.723 2.875 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)CNc1cccc(C#N)c1 54531049 FCOSGYPGULJCCA-STQMWFEESA-N 271.364 2.760 30 40 CFEB CCCCCCCC(=O)/N=C1/NC(=O)C(C)(C)S1 17574375 GFOGJPFTUMFQCV-UHFFFAOYSA-N 270.398 2.871 30 40 CFEB CO[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 43518481 QUPQEHBGAVNMKU-MRXNPFEDSA-N 280.327 2.676 30 40 CFEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1 56888478 DLJIQUNSHYCNBI-QGZVFWFLSA-N 295.386 2.903 30 40 CFEB N#Cc1ccccc1NS(=O)(=O)Cc1ccccc1 3991811 WUJMZPNSIUFNHR-UHFFFAOYSA-N 272.329 2.500 30 40 CFEB CC1=C/C(=N\NC(=S)NCc2ccccc2)CC1 5119850 VRQNIXXYXDJWQS-SSZFMOIBSA-N 259.378 2.747 30 40 CFEB CC(C)[C@H](C#N)NC(=O)[C@@H]1SCCc2ccccc21 80165998 DXFATYZOIOUUFM-UONOGXRCSA-N 274.389 2.681 30 40 CFEB N#C[C@@H]1C(=O)Nc2c(cnn2C2CCCC2)C12CCCC2 9428952 BDAUUXUZDXNZNQ-GFCCVEGCSA-N 284.363 2.902 30 40 CFEB CC(C)c1nnc(CN(CCC#N)CC(C)(C)C)o1 71893013 KSLDLLDQQUPJFV-UHFFFAOYSA-N 264.373 2.955 30 40 CFEB Cn1cc(CCCNc2ccc(C#N)c(Cl)c2)cn1 71894374 HGNLITZMRXUHGZ-UHFFFAOYSA-N 274.755 2.990 30 40 CFEB C=CCNC(=O)NCc1ccc(Br)cc1F 71897549 KMHZIFQCCVCKTH-UHFFFAOYSA-N 287.132 2.573 30 40 CFEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(O)c1 9602224 GCKXFECFAUREST-MRXNPFEDSA-N 296.326 2.850 30 40 CFEB CSC[C@@](C)(O)CNc1cc(C#N)nc2ccccc12 79017106 MTBFOXWVXMGOGG-HNNXBMFYSA-N 287.388 2.632 30 40 CFEB O=C(C[n+]1ccccc1Br)c1cccs1 26441409 NESJWLKFDICAPU-UHFFFAOYSA-N 283.170 2.681 30 40 CFEB C=CCN1C(=O)CN2c3ccccc3C(C)(C)[C@]12C 88515 KUVPXKIWMASROL-MRXNPFEDSA-N 256.349 2.529 30 40 CFEB biogenic Cc1cc(N2CCc3ccccc3C2)ncc1/C=N/O 72223879 VXJRGAIDLNNJJD-VCHYOVAHSA-N 267.332 2.761 30 40 CFEB CCCOc1c(C#N)cc([N+](=O)[O-])cc1OCC 225291492 UESAKCQWXBGOJK-UHFFFAOYSA-N 250.254 2.654 30 40 CFEB Cc1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1 194398880 GLTCAEPYBFLRLQ-UHFFFAOYSA-N 295.390 2.611 30 40 CFEB CSc1cccc(F)c1B1OC(C)(C)C(C)(C)O1 642814839 ZGLDFJQGMWNOLW-UHFFFAOYSA-N 268.162 2.847 30 40 CFEB CCOc1c(OC)ccc(/C(C)=N/O)c1OCC 17156628 SRCSENLGKRYQKP-NTEUORMPSA-N 253.298 2.691 30 40 CFEB CCOC(=O)[C@H](C#N)c1ccc(Br)cc1F 1776010871 VKNHGXJAFLWNPL-SECBINFHSA-N 286.100 2.758 30 40 CFEB CC(=O)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 12364338 DNUOJCIRRUNIBJ-UHFFFAOYSA-N 279.299 2.718 30 40 CFEB COc1ccc(Cl)cc1/C=C1\C(=O)ON=C1C 12475251 CCKFUZIXXGQHCJ-POHAHGRESA-N 251.669 2.665 30 40 CFEB COc1cccc(NC(=S)N/N=C2/C[C@H]3CC=C[C@@H]23)c1 38391314 CPPNGVBQVFPWGG-STJBDUSFSA-N 287.388 2.934 30 40 CFEB C#CCOC(=O)NC(CC)(C(F)(F)F)C(F)(F)F 3189048 AIMVNGUELZIRMF-UHFFFAOYSA-N 277.164 2.619 30 40 CFEB biogenic COc1cc(OC)c(OC)cc1/C=C/C(C)=N\O 380861 DFCWQJWJDPGGCH-RLKLUXQTSA-N 251.282 2.576 30 40 CFEB CCc1nc(SCC(=O)O)c(C#N)c2c1CCCC2 4116470 CRRQXMIAUUQUAU-UHFFFAOYSA-N 276.361 2.571 30 40 CFEB CCC(CC)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)cc1 102810502 SOTMOBPZNMMGPJ-CYBMUJFWSA-N 276.311 2.909 30 40 CFEB COc1cc(OC)cc(-n2c(C)c(C)c(C#N)c2N)c1 37352785 XMTMRTPZQIRCGQ-UHFFFAOYSA-N 271.320 2.565 30 40 CFEB CC(=O)/C=C(\C)CN1C(=O)c2cccc3cccc(c23)C1=O 101603676 GNXMSMNHIQKAPS-PKNBQFBNSA-N 293.322 2.971 30 40 CFEB COc1ccc(/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 3349510 KXJIGFQDCLKCBO-RIYZIHGNSA-N 276.248 2.956 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 12788779 RAFDHGIDONGIFQ-UHFFFAOYSA-N 266.256 2.828 30 40 CFEB Cc1cnn(C[C@@H]2CCCN2Cc2cccc(C#N)c2)c1 70038849 HOFCUYOSDRYZIG-KRWDZBQOSA-N 280.375 2.728 30 40 CFEB CC(C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 48921061 GXBAOJHDUIASSS-UHFFFAOYSA-N 261.325 2.875 30 40 CFEB C=C(C)CNC(=S)N/N=C/[C@H](C)c1ccccc1 6047687 JPLMBOZPESSRCV-SEJMYLSOSA-N 261.394 2.816 30 40 CFEB Cc1ccsc1/C=N/Nc1ccc(Cl)nn1 4976647 MSCIDCALGNJEIB-WUXMJOGZSA-N 252.730 2.946 30 40 CFEB C=CCn1c(SCC(=O)O)nnc1-c1ccc(C)cc1 26469582 WNTWWQXHGIVAGR-UHFFFAOYSA-N 289.360 2.616 30 40 CFEB CC(C)(C#N)NC(=O)c1cc(F)cc(C(F)(F)F)c1 95410138 BASLQINXMASHGO-UHFFFAOYSA-N 274.217 2.876 30 40 CFEB COc1cc(/C=N/c2c(C)nn(C)c2C)ccc1O 408974272 DRVUXDQESGAPML-OVCLIPMQSA-N 259.309 2.502 30 40 CFEB O=[N+]([O-])c1ccc(/N=C\c2cnn(-c3ccccc3)n2)cc1 409080285 MRMMESIMDOOCGY-YBEGLDIGSA-N 293.286 2.926 30 40 CFEB CCCCCCCCNC(=O)C(=O)NCCC(C)C 408707198 KUTJGHGPHJJCDB-UHFFFAOYSA-N 270.417 2.625 30 40 CFEB COc1ccccc1C(=O)/C=C1\C(=O)Nc2ccccc21 32646573 WXAVNDOIYOHXSS-RAXLEYEMSA-N 279.295 2.914 30 40 CFEB C=CCn1nc(C)c(CCC(=O)N2CCCCC2)c1C 72243108 AYWUHSWWMXMQLK-UHFFFAOYSA-N 275.396 2.631 30 40 CFEB C#CCn1cc(-c2cccc(Br)c2)cn1 85391287 DIPKEKUXHXACMN-UHFFFAOYSA-N 261.122 2.946 30 40 CFEB CCCOC(C)(C)C(=O)Nc1ccc(OC)c(C#N)c1 225837717 QXTVFCPYUGRMTF-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB CCCOc1ccc(C(=O)/N=C(/NCC)SC)cc1 5431697 ADEVXMSBWVOBNA-UHFFFAOYSA-N 280.393 2.944 30 40 CFEB Cc1cc(N2C[C@H](C)O[C@H](C)C2)nc(Cl)c1C#N 33376776 RFUFJPWPYRARHR-AOOOYVTPSA-N 265.744 2.529 30 40 CFEB CCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1F 953019752 HTEGXNLQLMBVMN-UHFFFAOYSA-N 284.111 2.663 30 40 CFEB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@@H](N)Cc3ccccc3)O[C@]12C 256603693 VBPSRSJQIVBEOE-IMPIEMTGSA-N 299.223 2.824 30 40 CFEB COc1ccccc1CC(=O)Nc1ccccc1C#N 32958789 CXXDFEMPQFBFDP-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB N/C(S)=N\N=C/c1ccccc1OCc1ccccc1 20164032 QTKRXJOKZCYAGZ-YVLHZVERSA-N 285.372 2.844 30 40 CFEB aggregator C/N=C1/S/C(=C\c2cn(C)c3ccccc23)C(=O)N1C 3903048 AVLSYFZBJGRGKU-IAASEGDQSA-N 285.372 2.710 30 40 CFEB CCCCCCCCNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102235650 RKZPKXHTMXUNHG-XQLPTFJDSA-N 293.407 2.986 30 40 CFEB CC1(C)C(=O)[C@]2(Br)CC[C@]1(CC#N)C2 103708628 ZCRNYFRNZGBEHU-QWRGUYRKSA-N 256.143 2.813 30 40 CFEB COC(=O)c1cn(CCC#N)nc1-c1cc2ccccc2o1 4516862 DHCBEOOWLJOIGC-UHFFFAOYSA-N 295.298 2.997 30 40 CFEB CCOc1ncccc1C(=O)Nc1sccc1C#N 14626662 DEDLQQFAGFJWCA-UHFFFAOYSA-N 273.317 2.666 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 75144239 MFUKWPILENZJCX-JTQLQIEISA-N 287.319 2.575 30 40 CFEB C/C(=N\Nc1ccc(Cl)nn1)c1cccc(N)c1 20930059 YMXOTNLTPOEEDL-OVCLIPMQSA-N 261.716 2.548 30 40 CFEB Cc1ccc(C)c(/N=C\c2ccc(OCC(N)=O)cc2)c1 408962348 HQEICRBWAFCGAA-GRSHGNNSSA-N 282.343 2.918 30 40 CFEB Cc1cc(C)n(CCCNc2ccc(C#N)cc2[N+](=O)[O-])n1 32533794 KARCYAIFQRFLFP-UHFFFAOYSA-N 299.334 2.782 30 40 CFEB N#Cc1cc(/C=N/Nc2ccccc2)c([N+](=O)[O-])cc1C#N 66091641 IMNXFEIMFQOIHT-VCHYOVAHSA-N 291.270 2.784 30 40 CFEB C=CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 140630671 BFEVUDWQULPMEE-UHFFFAOYSA-N 274.295 2.716 30 40 CFEB C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@@H](C)S1 92541289 PBQCELKUXAOZFI-NXEZZACHSA-N 252.408 2.946 30 40 CFEB CO[C@@H]1CS/C(=N\c2ccc(C)cc2C)N1C 255188694 KXAFQCCQWGHQDL-HUTFPVNGSA-N 250.367 2.942 30 40 CFEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 14164814 SFTZXQPWOCEKQD-QFYYESIMSA-N 294.358 2.855 30 40 CFEB COc1ccc(/C(C)=N\O)cc1CS[n+]1ccccc1 17126988 OPDAGQYYPYVXEH-VBKFSLOCSA-O 289.380 2.877 30 40 CFEB N#Cc1ccc(NC(=O)CCc2ccncc2)cc1 32933505 YTAMIBRFAAVXRT-UHFFFAOYSA-N 251.289 2.525 30 40 CFEB C/C(=N/NC(N)=S)c1ccc(-c2ccccc2)cc1 4401071 XDGIFUBPAVQFCJ-BOPFTXTBSA-N 269.373 2.911 30 40 CFEB CC1(C)CC(=O)C(=C2Nc3ccccc3O2)C(=O)C1 102098684 YWXCJKQPQLWHLV-UHFFFAOYSA-N 257.289 2.661 30 40 CFEB C=CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)s3)CCN2C1 107746606 YYIHLJGEJILJHH-LSDHHAIUSA-N 292.448 2.518 30 40 CFEB CN(C)/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 21487147 NAYPPFLITBUMJO-ICFOKQHNSA-N 284.319 2.930 30 40 CFEB COc1cccc(/C=N/Nc2ccc(Cl)nn2)c1 6566402 VNGRYLXKJIDQCK-RIYZIHGNSA-N 262.700 2.585 30 40 CFEB Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@@H](C)C#N)c1C 7283539 YEEFQBGAQOVZCY-ZETCQYMHSA-N 292.360 2.782 30 40 CFEB CCc1c(/C(C)=N/NC(=S)NC)oc2ccccc12 7944105 QJLHBUYBWKFBKM-CXUHLZMHSA-N 275.377 2.813 30 40 CFEB COc1ccc(F)c(NC(=O)c2cccc(C#N)c2)c1 94820269 NREIEDKEMOTJRJ-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1cc(F)cc(Cl)c1O 95963345 FYYZYEKDIXGPGX-QMMMGPOBSA-N 284.718 2.806 30 40 CFEB C=C(Cl)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 89580287 PRECNOFBIKHVFH-UHFFFAOYSA-N 296.798 2.843 30 40 CFEB N#Cc1cccc(OS(=O)(=O)c2c(F)cccc2F)c1 89780725 RYUAORBKXJTDQY-UHFFFAOYSA-N 295.266 2.604 30 40 CFEB CC(C)(C)C(=O)OCc1cn2ccccc2c1C#N 61354865 GOWFCNNHONQGAR-UHFFFAOYSA-N 256.305 2.900 30 40 CFEB O=C1Nc2ccc(F)cc2/C1=C/C(=O)c1ccco1 35686357 YMRGXAIWFMMWIC-YFHOEESVSA-N 257.220 2.637 30 40 CFEB CCCCCCCC(=O)NCCc1ccc(O)nc1 521394294 CCLAKVLKVCGORN-UHFFFAOYSA-N 264.369 2.806 30 40 CFEB N#CCSCC(=O)Nc1ccc(F)cc1Cl 33147553 LUHCJLVSBFCNLC-UHFFFAOYSA-N 258.705 2.674 30 40 CFEB CC[C@@H](/N=C(/O)CCc1cnccn1)C1CCOCC1 330011563 JDAVILPSEGQCJO-CQSZACIVSA-N 277.368 2.571 30 40 CFEB CC[C@H]1CCCCN1c1nn(-c2ccccc2)nc1C#N 256049009 XQOFZIOWVDCHMK-ZDUSSCGKSA-N 281.363 2.908 30 40 CFEB CC(C)c1ccc(/C(=N\NC(N)=S)C2CC2)cc1 17327944 IJOPOXIHEDVJDV-DTQAZKPQSA-N 261.394 2.757 30 40 CFEB COC(=O)c1ccc(CNc2ccc(C#N)cc2)cc1 9157472 JYKCTRTXVIPNHJ-UHFFFAOYSA-N 266.300 2.957 30 40 CFEB C=C[C@@]1(O)C[C@@H]2[C@H]3C4C5[C@H](CC[C@@H]5[C@H]5[C@@H]4[C@@H]2C[C@]5(O)C=C)[C@@H]31 104291305 HHDXNQYASCNGKB-AADXGSSXSA-N 298.426 2.625 30 40 CFEB C#CCNC(=O)c1sc(-c2ccc(F)cc2)nc1C 57817623 CWYYAJOOGGZHOV-UHFFFAOYSA-N 274.320 2.621 30 40 CFEB N#CCN(C(=O)c1cccc(C(F)(F)F)c1)C1CC1 58331683 BFTCNUSSCJQAMH-UHFFFAOYSA-N 268.238 2.834 30 40 CFEB N#CCc1nc(-c2ccc(Br)cc2)no1 22151335 VLCIWZOZDPHMGD-UHFFFAOYSA-N 264.082 2.565 30 40 CFEB Cc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)no1 69567412 PIPPCKQCELRNCE-UHFFFAOYSA-N 297.358 2.898 30 40 CFEB CCCC/N=C/c1cc2cc(OC)ccc2[nH]c1=O 13770847 MLEYVQDOUFLODD-MHWRWJLKSA-N 258.321 2.756 30 40 CFEB N#CC1(COC(=O)c2ccn3cncc3c2)CCCCC1 97056506 AABGIPGRXXSQOJ-UHFFFAOYSA-N 283.331 2.965 30 40 CFEB C#CCC(C)(C)COC(=O)c1ccc(OC)cc1OC 95467959 CNTJEDQWLBFBLU-UHFFFAOYSA-N 276.332 2.910 30 40 CFEB CCOC(=O)c1ccc(/N=C/c2cccn2C)cc1 409109028 ZRWSQRCZCAVPIM-LFIBNONCSA-N 256.305 2.952 30 40 CFEB C=CCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38832467 LOXNUQRTBUBIPI-CQSZACIVSA-N 272.392 2.834 30 40 CFEB Cc1cccc(OC2CCN(c3ccc(C#N)nc3)CC2)n1 126929022 YIQUMSKOVIHNTR-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB CC1(C)CN(C(=O)NCC#Cc2ccccc2)CCS1 83643063 BDQFIQWJTWFKHS-UHFFFAOYSA-N 288.416 2.575 30 40 CFEB CN(C(=O)OC(C)(C)C)C1CCN(C(C)(C)C#N)CC1 195572050 AKWBJMQOCNEAJI-UHFFFAOYSA-N 281.400 2.620 30 40 CFEB C=CCCC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 96367148 WJUISOVTHIWIFC-KRWDZBQOSA-N 285.343 2.589 30 40 CFEB Cc1ccccc1NC(=O)COc1ccc(C#N)cc1 6043662 SYWYXNRNWDQIOC-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 9378501 XGKBQMCGNMBXRD-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C=CCCC(=O)NC[C@](O)(c1ccoc1)c1cccs1 238911697 SFYIPWZHKCZCHJ-HNNXBMFYSA-N 291.372 2.659 30 40 CFEB COc1ccc2c(c1)O[C@]1(C)O[C@@]1(c1ccccc1)C2=O 1094097 VMRJIOUWFBJQSV-SJORKVTESA-N 282.295 2.912 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\N=C\c2ccccc2O)cc1 8637432 OGJRDWUBYHHMFQ-CKOAPEAFSA-N 269.260 2.753 30 40 CFEB C=CCNC(=O)[C@H](CC)Oc1cccc(Cl)c1 20454331 YFVDHQKHTUDFAU-LBPRGKRZSA-N 253.729 2.800 30 40 CFEB OC(/C=C/c1ccco1)=N\c1nc(-c2ccccn2)n[nH]1 58314490 OOCZXMJFPRLVLD-VOTSOKGWSA-N 281.275 2.761 30 40 CFEB C/C(=N\NC(=S)N1CCCCCC1)c1ccccn1 5648393 LYIUREYWAKPINL-FOWTUZBSSA-N 276.409 2.556 30 40 CFEB C#CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1 6746718 UBVZWHDUEQDVOG-UHFFFAOYSA-N 277.283 2.811 30 40 CFEB N#Cc1ccsc1NC(=O)CC1(C(=O)O)CCCCC1 16482465 WERACQQVQOOIGZ-UHFFFAOYSA-N 292.360 2.983 30 40 CFEB C#CC[C@@H](CC)NC(=O)c1ccc(Br)c(O)c1 95978847 FNMYGEDUPFFDBW-SNVBAGLBSA-N 296.164 2.686 30 40 CFEB C#Cc1cccc(NC(=O)N[C@@H](CC)CN2CCCC2)c1 75107855 BTYJNYPINLLUKM-HNNXBMFYSA-N 285.391 2.664 30 40 CFEB O=C1C(=C2NC[C@@H](c3ccccc3)O2)C(=O)c2ccccc21 75284179 WZPZAXAXBRIIFB-AWEZNQCLSA-N 291.306 2.638 30 40 CFEB COc1cc(C#N)cc(N)c1OCc1ccc(F)cc1 223706624 IPMVRSFGMWIBHY-UHFFFAOYSA-N 272.279 2.867 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@H](OC1CCCC1)c1ccccc1 96403471 MWKJWPRZHRZDAH-CYBMUJFWSA-N 297.376 2.603 30 40 CFEB C[C@@H](Cn1cncn1)Nc1cc(C#N)ccc1C(F)(F)F 97104589 QFVYBBFCKIMYTB-VIFPVBQESA-N 295.268 2.669 30 40 CFEB C=CCCC(=O)NC[C@@H](OC)c1cccc(F)c1 96387896 CTROEEZNMOABGU-CYBMUJFWSA-N 251.301 2.596 30 40 CFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(F)F 169807960 FFGPKPPHNCKGBQ-UHFFFAOYSA-N 284.111 2.896 30 40 CFEB COCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F 222151313 KTUOKYHZCZBSCW-UHFFFAOYSA-N 290.150 2.820 30 40 CFEB C=CCNc1nc(Cl)nc(Nc2ccc(OC)cc2)n1 5027566 VOVHQEHSEXIWKN-UHFFFAOYSA-N 291.742 2.875 30 40 CFEB CCC/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5732710 IKGRHEWIFBFXPP-WDZFZDKYSA-N 252.230 2.701 30 40 CFEB C=C1C(=O)O[C@@H]2[C@@H]1CCC(=C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@@H]12 253388711 GKMFOEIZCLMZDE-OLMNGRFOSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro C=CCCC(=O)NC[C@@](O)(c1ccoc1)c1cccs1 238911698 SFYIPWZHKCZCHJ-OAHLLOKOSA-N 291.372 2.659 30 40 CFEB C=CCNC(=O)CSc1nc2ccc(C)cc2cc1C#N 4848891 XRWMCLKGTCEJTP-UHFFFAOYSA-N 297.383 2.809 30 40 CFEB CCOc1cc(Br)cc(C#N)c1OC(C)=O 20157666 BVVUCJBAZBFBLI-UHFFFAOYSA-N 284.109 2.645 30 40 CFEB CCOc1cc(C#N)cc(Br)c1OC(C)=O 2766953 LWZYLYMVFXDHCB-UHFFFAOYSA-N 284.109 2.645 30 40 CFEB O/C(Cc1cccc(F)c1)=N\c1nc(-c2ccccn2)n[nH]1 53523842 BZCYFHBSKPWFOU-UHFFFAOYSA-N 297.293 2.837 30 40 CFEB N#Cc1ccc(CN2CCOc3ccccc32)cc1 58733124 ZKKVSMDUFFFPLH-UHFFFAOYSA-N 250.301 2.957 30 40 CFEB C=CCCS(=O)(=O)Nc1ccc2scnc2c1 179023222 ZRILXIINUJVIJE-UHFFFAOYSA-N 268.363 2.614 30 40 CFEB C=CCOc1ccc2c(C)cc(=O)oc2c1C(C)=O 2241309 DHOITHIKILTGSO-UHFFFAOYSA-N 258.273 2.869 30 40 CFEB biogenic CN(C)C1(CNC(=O)c2ccc(C#N)cc2)CCCCC1 12978883 MCXLKCGPPHLJOY-UHFFFAOYSA-N 285.391 2.553 30 40 CFEB CC[C@@H]1CCCCN1C(=O)COc1ccc(C#N)cc1 9377878 UQWHUGBVGSQZDT-CQSZACIVSA-N 272.348 2.728 30 40 CFEB C=CCNC(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 66149227 JEDYTSLCNZSNLB-UHFFFAOYSA-N 293.455 2.857 30 40 CFEB CNC(=O)C1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 72275568 AOYHRHFBNKCURI-UHFFFAOYSA-N 291.782 2.928 30 40 CFEB CC1(C)CC(=O)C(=CNc2cccnc2Cl)C(=O)C1 100713988 HXUBCPIFLYPPQD-UHFFFAOYSA-N 278.739 2.989 30 40 CFEB C=CCSc1nc(O)c2cc(F)c(F)cc2n1 888107081 KRGUUGBSKAFZQK-UHFFFAOYSA-N 254.261 2.892 30 40 CFEB CN(C)/C=C/C(=O)c1cc([N+](=O)[O-])ccc1Cl 161065 OJEXDJAOLCZBFM-AATRIKPKSA-N 254.673 2.506 30 40 CFEB N=C(N/N=C/C=C\c1ccccc1)c1ccccn1 5338294 FWASFKHJOWISAH-CVVJEMIOSA-N 250.305 2.696 30 40 CFEB COC(=O)C1=C(C)N/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 3636208 CXBYNVCTEKXMAC-UVTDQMKNSA-N 299.370 2.944 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C 14590617 WXKQSBKURZFLTH-XYOKQWHBSA-N 266.257 2.947 30 40 CFEB COC(=O)[C@@H]1O[C@H]1c1cc(Cl)cc(Cl)c1OC 1704586 FTOYPHSRTPHZPU-VHSXEESVSA-N 277.103 2.615 30 40 CFEB C=CCSc1nnc(NC(=O)Cc2ccccc2)s1 2627721 BFWTYADMKGNWQY-UHFFFAOYSA-N 291.401 2.997 30 40 CFEB C=C[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@H]1OCc1ccccc1 8700262 NSJZJRZQKBXUTL-CBBWQLFWSA-N 276.332 2.634 30 40 CFEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1ccccc1)OCO2 58625371 XRHYAHFZJBLITD-OVCLIPMQSA-N 285.259 2.770 30 40 CFEB Cc1cc(NC(=O)CSCc2cccc(C#N)c2)no1 12569040 RDTBCQYIYOHYDA-UHFFFAOYSA-N 287.344 2.727 30 40 CFEB N#Cc1ccsc1NC(=O)CN1CCc2ccccc2C1 34859817 LHRSUUGRKDZWIA-UHFFFAOYSA-N 297.383 2.617 30 40 CFEB CO[C@@H](CNc1ccc(C#N)cn1)c1ccccc1 43510890 AAYQWRFFXOBXCK-AWEZNQCLSA-N 253.305 2.753 30 40 CFEB Cc1oc(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)c(C#N)c1C 25948630 FCRUTIXOBAAFRI-PHIMTYICSA-N 289.379 2.685 30 40 CFEB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 107504807 AOTGXYPLLHMLKS-MZMPZRCHSA-N 299.418 2.856 30 40 CFEB N#CCOc1cccc(NC(=O)NCc2ccccc2)c1 48516472 GPOBLZORJNZIDD-UHFFFAOYSA-N 281.315 2.911 30 40 CFEB CCO[C@@H](C)C(=O)[C@H](C#N)c1nc2ccccc2s1 69896498 WMFRMFFLJDKMJE-UWVGGRQHSA-N 274.345 2.898 30 40 CFEB N#C[C@@H](Sc1nc2ncccn2n1)C1CCCCC1 71908678 ZIFQKBNFABFGAL-LLVKDONJSA-N 273.365 2.689 30 40 CFEB Cc1ccccc1NN=C1C(=O)CC(C)(C)CC1=O 549040 UEDAQRSDLQNZJO-UHFFFAOYSA-N 258.321 2.721 30 40 CFEB biogenic C=CCn1nc(OCc2ccc(Cl)cc2)c(C#N)c1N 225837287 FGPUWDCIXXXQOL-UHFFFAOYSA-N 288.738 2.755 30 40 CFEB N#Cc1ccc(N2CCC[C@H](N3CCCCCC3)C2)cn1 91482561 WGDUTEYURKZGBX-KRWDZBQOSA-N 284.407 2.798 30 40 CFEB C=CCSc1nnc(C)n1-c1ccc(OC)cc1 347631847 JZLDGTOXSYDCEJ-UHFFFAOYSA-N 261.350 2.862 30 40 CFEB Cc1ccc(-c2nnc(S)n2N=Cc2cccnc2)cc1 253616997 QGWGZNRDIVJXLV-UHFFFAOYSA-N 295.371 2.819 30 40 CFEB CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 41630421 ZJLHLRGJFAMPIC-GFCCVEGCSA-N 292.404 2.756 30 40 CFEB CSC(=NCC/N=C(/S)SC)SC 13409709 UJGVITGIWYKPOV-UHFFFAOYSA-N 254.471 2.717 30 40 CFEB C=CCn1ccn2nc(-c3ccc(CC)cc3)cc2c1=O 1775971900 XKCZWFMCZIORDA-UHFFFAOYSA-N 279.343 2.911 30 40 CFEB O=C(C[n+]1ccccc1)c1ccc2ccccc2c1O 1666270 KRRZETHMGCOBTF-UHFFFAOYSA-O 264.304 2.716 30 40 CFEB O=[N+]([O-])c1ccc2c(cnn2[C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)c1 6863611 OVDPYCAWLMLMMB-SFAQGPPSSA-N 286.291 2.746 30 40 CFEB C=CCNC(=S)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100984410 JBSXSUZAIYIDJQ-SMDDNHRTSA-N 252.427 2.948 30 40 CFEB Cc1ccc(SCC(=O)N[C@](C)(C#N)C(C)C)nc1 42173461 YCJAQUVQGLKGMP-CQSZACIVSA-N 277.393 2.537 30 40 CFEB CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1/C2=N/O 102853912 LPHDYKCTQHQVKE-ICFOKQHNSA-N 297.270 2.760 30 40 CFEB N#CCC[C@@H](C#N)CSc1ncn(-c2ccccc2)n1 69484295 QKYWQLVRKZBKKJ-LBPRGKRZSA-N 283.360 2.803 30 40 CFEB CC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 6022719 QBFVJBXYIONPHU-UHFFFAOYSA-N 265.268 2.980 30 40 CFEB Cc1ncc(CO)c(/C=N/Cc2ccccc2Cl)c1O 5110617 WDEOOOMPGBBLHA-CAOOACKPSA-N 290.750 2.860 30 40 CFEB N#Cc1cc(F)ccc1CN1CCC[C@@H]1Cn1cccn1 69950234 QHVVTSDDCQIMPC-MRXNPFEDSA-N 284.338 2.558 30 40 CFEB COc1ccccc1-n1c(N)c(C#N)sc1=S 67172476 FNPOZFJMQQJAHE-UHFFFAOYSA-N 263.347 2.731 30 40 CFEB Cc1n[nH]c(C)c1NC(=O)CSc1ccccc1C#N 84019535 BYRBBQXBYLWXOZ-UHFFFAOYSA-N 286.360 2.629 30 40 CFEB Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)C#N)[C@@H](C)CO1 76041213 DELMQCQWKBHWHR-DZGCQCFKSA-N 286.375 2.833 30 40 CFEB CN(C)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 78617657 PXBISTZBDDCSPN-ZDUSSCGKSA-N 263.772 2.742 30 40 CFEB COc1cccc(/C=N/NCc2ccccc2OC)c1 20762868 OHIHDHBWDDIPRS-GZTJUZNOSA-N 270.332 2.828 30 40 CFEB O=C(O)C[C@H](N/N=C/c1ccccc1O)c1ccccc1 67351023 FQOAUOKQIZCXAW-MPMPPSQCSA-N 284.315 2.532 30 40 CFEB N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1 35446833 NVIGSZZBWGTLSB-LBPRGKRZSA-N 266.348 2.776 30 40 CFEB biogenic,in-vitro CC(C)OS(=O)(=O)c1ccccc1Br 39173396 AISPPKSSOLMHOC-UHFFFAOYSA-N 279.155 2.563 30 40 CFEB CCN(CC)c1ccc(NC(=O)C(F)(F)F)cc1C#N 226280176 KRDQMOFFWQBAQX-UHFFFAOYSA-N 285.269 2.905 30 40 CFEB O=C1Nc2ccc(Cl)cc2/C1=N/Nc1cccnc1 223741409 GVNPZPRHRZMMFR-UHFFFAOYSA-N 272.695 2.503 30 40 CFEB C=CCNC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227166990 YYAMKWXQCXLROJ-UHFFFAOYSA-N 287.338 2.772 30 40 CFEB Cc1ccc2nc([C@@H](C#N)c3ccccc3)c(=O)[nH]c2c1 98071641 VBHNCMAFPOPJJC-ZDUSSCGKSA-N 275.311 2.887 30 40 CFEB Fc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95095921 XEPWDPZPVJDBEM-UWVGGRQHSA-N 250.191 2.845 30 40 CFEB C[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C)C#N)CC1 97372020 QMKDAFXYLNIRJY-NEPJUHHUSA-N 279.334 2.555 30 40 CFEB CCOc1ccc2cc(C(=O)N[C@H](C#N)CC)[nH]c2c1 69485498 IXEIYUHBTWORDI-NSHDSACASA-N 271.320 2.599 30 40 CFEB COCc1cc(C)nc(N/N=C/c2ccc(C)o2)c1C#N 4321292 UZOGXWUTQMBLCB-CAOOACKPSA-N 284.319 2.756 30 40 CFEB O=C1CSC(=S)N1/N=C/c1ccc(Cl)s1 1711075 QUKKUCBDZCSTAS-XCVCLJGOSA-N 276.795 2.596 30 40 CFEB N#Cc1cccc(Cn2c(=O)oc3ccccc32)c1 127136 GZGXPVQBWUZVQJ-UHFFFAOYSA-N 250.257 2.514 30 40 CFEB C#Cc1cccc(NC(=O)CCc2nc(C(C)C)no2)c1 32936689 OSQUDNURSGAIBU-UHFFFAOYSA-N 283.331 2.746 30 40 CFEB CS(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 100037374 RAJRICGRDOAEBY-XNTDXEJSSA-N 275.329 2.546 30 40 CFEB Cc1sc2ncn(/N=C/c3ccc(O)cc3)c(=O)c2c1C 350934 VZNZCABAQMSUNO-REZTVBANSA-N 299.355 2.663 30 40 CFEB N#CCCNC(=O)CN(Cc1ccccc1)C1CCCCC1 47651368 AFEMSMQEFQZMPI-UHFFFAOYSA-N 299.418 2.851 30 40 CFEB CSCC[C@H]1NC(=O)C(/C(C)=N/c2ccccc2)=C1O 102800389 DKCIYFRPVXYSHY-HMHNVIDESA-N 290.388 2.843 30 40 CFEB N#Cc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 3305949 QTBLBPMLYBBNBH-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB N#CC1(NC(=O)CSc2ccccn2)CCCCCC1 12774901 UKXYAKGDDFXFGT-UHFFFAOYSA-N 289.404 2.906 30 40 CFEB C=CCNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 11241168 NZHFBVGGHJIMIE-UHFFFAOYSA-N 261.712 2.646 30 40 CFEB N#CCSc1nnc(-c2ccncc2)n1-c1ccccc1 4124685 RZHXOXYGKMEGOU-UHFFFAOYSA-N 293.355 2.945 30 40 CFEB COc1cccc(/C=N/N=C(/S)Nc2cccnc2)c1 13636232 CEBGMERQJUURQS-CXUHLZMHSA-N 286.360 2.822 30 40 CFEB C[C@@H](NCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 14254543 BDPVWZXYFOJFTI-GFCCVEGCSA-N 297.333 2.814 30 40 CFEB N#Cc1cc([C@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1C#N 66088322 FNYVSUBBADTHGW-OAHLLOKOSA-N 288.266 2.994 30 40 CFEB O=C(/N=C1/NCCS1)[C@@H]1CCCC[C@@H]1C(F)(F)F 71800136 BANJZMBYTJTIOT-SFYZADRCSA-N 280.315 2.574 30 40 CFEB CCCCn1nnnc1CNc1cc(Cl)ccc1C#N 95398950 CFWWWGVNQNXTOE-UHFFFAOYSA-N 290.758 2.610 30 40 CFEB CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 95994034 BEHOMFIYSOLWIF-DZGCQCFKSA-N 289.379 2.600 30 40 CFEB Cc1cccc(CNC(=O)CSc2ncccc2C#N)c1 71326964 ZAIZNDTYPURNFF-UHFFFAOYSA-N 297.383 2.670 30 40 CFEB CC[C@H](C)Oc1ccccc1/C=C/C(O)=N/S(C)(=O)=O 78556439 IHFBMAFTUNNBQS-USKTWTLRSA-N 297.376 2.793 30 40 CFEB CCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCCC1 225829006 UIJQUEWXOXCEKW-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95686658 VQKMJXAMQVPHHB-UHFFFAOYSA-N 280.498 2.809 30 40 CFEB C=CCN1CCN(Cc2ccoc2)Cc2cccnc21 96060948 WMHIYDGSDZEXHW-UHFFFAOYSA-N 269.348 2.683 30 40 CFEB CC1(C)OB(c2cc(Cl)c3[nH]cnc3c2)OC1(C)C 675081521 FYWZFOJKBATMED-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB Cc1nc(COC(=O)C2(C#N)CCCCC2)oc1C 58320103 MVBKYALGWHKDSZ-UHFFFAOYSA-N 262.309 2.809 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CCc1ccc(F)cc1 58392265 HJSYNJYDFVSARK-GFCCVEGCSA-N 262.328 2.766 30 40 CFEB C=CCCOC(=O)[C@H](C)NC(=O)CC1CCCCC1 71803567 LOJCQFPYJNBVSG-LBPRGKRZSA-N 267.369 2.581 30 40 CFEB C=C1[C@H]2[C@H](CC(=O)O)O[C@H](O)[C@H]3[C@H]2[C@H](C(C)C)CC[C@@]13C 1534676424 PBMBHKUNIJQHFJ-NPWACQIQSA-N 294.391 2.669 30 40 CFEB C=C(C)C(=O)OCc1ccc(OC(=O)C(=C)C)c(OC)c1 627276208 DIEOIBJEDHSOJG-UHFFFAOYSA-N 290.315 2.796 30 40 CFEB CCCCOc1ccc(/C=N\N=C(/S)NC)cc1OC 12410797 CSHHXQAKMIIZFD-YBEGLDIGSA-N 295.408 2.713 30 40 CFEB Cc1cc(N2CCC(C#N)(c3ccccc3)CC2)ncn1 1888901319 MBORTXVRUANBEE-UHFFFAOYSA-N 278.359 2.847 30 40 CFEB O=C1C=C(NCCc2c[nH]cn2)C[C@@H](c2ccc(F)cc2)C1 100235407 OCMLQMXYMAUOBH-CYBMUJFWSA-N 299.349 2.712 30 40 CFEB Cc1onc(-c2ccccc2)c1C(=O)/C=C/N(C)C 123981 BIEBLADLOVVSEZ-MDZDMXLPSA-N 256.305 2.908 30 40 CFEB C[C@H]1C/C(=N/OC(=O)c2ccccc2)[C@H](C)CN1C 3900689 BHUGEYWWNUWAAY-VVMFYBRISA-N 260.337 2.560 30 40 CFEB Cc1cccc(/C=N/n2c(S)nnc2C(F)F)c1 2791230 YRLZEVCNHSCAQN-MKMNVTDBSA-N 268.292 2.695 30 40 CFEB N/N=C1\C(OC(=O)Nc2ccccc2)=Nc2ccccc21 100134825 VRUKOGTVWUCQDH-UYRXBGFRSA-N 280.287 2.642 30 40 CFEB in-vitro Cc1ccc(-c2nnc(SCCC#N)n2C)cc1 10278039 BQWUYTLRWMQYNH-UHFFFAOYSA-N 258.350 2.796 30 40 CFEB N#CCCn1cc(C(=O)O)c(-c2cc3ccccc3o2)n1 3410536 KXBPQDKRWSADML-UHFFFAOYSA-N 281.271 2.908 30 40 CFEB CN(C)/C=N/c1ncc(C(=O)c2ccccc2)s1 18046311 MJMCMPHWPCTTCY-OQLLNIDSSA-N 259.334 2.596 30 40 CFEB CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409074731 RBMUNJFYCMKAAI-MHWRWJLKSA-N 286.291 2.835 30 40 CFEB COc1ccc(/C=N/Nc2ccccn2)c(OC)c1OC 5694565 ZFSCKBHLUILGCT-LICLKQGHSA-N 287.319 2.553 30 40 CFEB Cn1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)n1 6828244 HOPYTJGWNCGDBS-QPJJXVBHSA-N 278.258 2.918 30 40 CFEB C=C(C)[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 5807889 ABKDBHRAGTZDQX-ZWKOTPCHSA-N 284.403 2.939 30 40 CFEB biogenic C[C@@H]1CCc2ccccc2N1CC(=O)NC1(C#N)CCCC1 7619049 UFRWPCWRZGASGV-CQSZACIVSA-N 297.402 2.780 30 40 CFEB N#Cc1cc(Br)c(Br)cc1C#N 34530213 GWFFZICBNFSEIX-UHFFFAOYSA-N 285.926 2.955 30 40 CFEB C=CCNc1nc(NC[C@@H]2CCCO2)c2ccccc2n1 41151989 LGQWDVDTNOKOLT-LBPRGKRZSA-N 284.363 2.819 30 40 CFEB C=CCn1nc(OCc2ccc(C)c(C)c2)c(C#N)c1N 225837388 RFUBYAANTASBTF-UHFFFAOYSA-N 282.347 2.719 30 40 CFEB COCCN(CCC#N)C(=O)c1cc2cccc(F)c2o1 96443066 QVZNEBYBNMVNSS-UHFFFAOYSA-N 290.294 2.574 30 40 CFEB COc1ccc(C#CCO[C@@H]2CCCCO2)cc1F 95632230 MATBOQWUMWTALW-OAHLLOKOSA-N 264.296 2.729 30 40 CFEB Cc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 642814773 WEFLGURYLOQWJC-UHFFFAOYSA-N 254.085 2.572 30 40 CFEB Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccccn1 97148445 RSEFAKFXNDWMEZ-UHFFFAOYSA-N 275.315 2.569 30 40 CFEB C=C(C)CC#CC(C)(C)OC[C@@H]1COC(C)(C)O1 5377672 AJOHGRONFKSGPC-CYBMUJFWSA-N 252.354 2.903 30 40 CFEB C=CCn1c(S[C@@H]2CCOC2=O)nc2ccccc21 40456796 BYSMNXOAZJSYCU-GFCCVEGCSA-N 274.345 2.630 30 40 CFEB N#C[C@@H](Cc1cccnc1)C(=O)Nc1ccc(F)cc1 419724 VXBFQJQGSPMOFB-GFCCVEGCSA-N 269.279 2.542 30 40 CFEB C=C(C)CN(CC)C(=O)[C@]1(C)CC1(Cl)Cl 42034498 ABHVHVNGLKPSQL-JTQLQIEISA-N 250.169 2.995 30 40 CFEB Cc1cccn2c(=O)c(C#N)c(-c3ccc(F)c(F)c3)nc12 3188282 LPAWLPWCJTZERF-UHFFFAOYSA-N 297.264 2.820 30 40 CFEB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 16641867 ZWPNOVDUMPRILO-QWHCGFSZSA-N 272.348 2.584 30 40 CFEB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC#N)c2ccccc21 106170969 FVPZFASSESXSKN-GZBFAFLISA-N 285.391 2.807 30 40 CFEB Cn1c(Sc2ccc(C#N)cn2)nnc1-c1cccs1 24982537 ODAQZQRCHGRBJX-UHFFFAOYSA-N 299.384 2.961 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 57561368 FGGQYJPFNJAXLQ-INIZCTEOSA-N 277.327 2.931 30 40 CFEB CC(C)(C)OC[C@@](C)(O)C(=O)/C=C/c1ccccc1 1874278 ZOSOVCMWSWVILP-SIFUEBAJSA-N 262.349 2.835 30 40 CFEB C=C(Cl)CSc1nnc(N(C(C)=O)C2CC2)s1 48412491 BEHMLCWLWVQSJS-UHFFFAOYSA-N 289.813 2.898 30 40 CFEB Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)[nH]1 48411813 WVLFFRLDYAHGTP-UHFFFAOYSA-N 254.289 2.765 30 40 CFEB CCOCCCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 48520510 LMTWJHVWWBYJCY-NSHDSACASA-N 271.320 2.556 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 6225311 ZJMLIHCXNWTEML-UHFFFAOYSA-N 280.283 2.582 30 40 CFEB COc1cc(/C=N/Nc2ccccn2)cc(Cl)c1O 5687967 CYDNUVACEOVBDJ-LZYBPNLTSA-N 277.711 2.895 30 40 CFEB CC(C)(C)c1cnc(S(=O)(=O)CCCC#N)s1 97164116 ZFRMEORSKMGJFQ-UHFFFAOYSA-N 272.395 2.518 30 40 CFEB CC(=O)c1ccc(C#N)cc1N1CCN(C2CCCC2)CC1 95469185 UAPMECVVEANJHS-UHFFFAOYSA-N 297.402 2.825 30 40 CFEB C=CCOc1ccccc1C(=O)N1CC[C@@H](c2ncc[nH]2)C1 404295734 WZXFPMLAZQXDJY-CYBMUJFWSA-N 297.358 2.604 30 40 CFEB Cc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)c(C)n1C 408775459 HGRJLOMKSWMBIV-PXNMLYILSA-N 272.304 2.796 30 40 CFEB NC(=S)N/N=C/c1ccc(Sc2ccccc2)o1 408989370 HPDCUTYMQSNLNL-RIYZIHGNSA-N 277.374 2.598 30 40 CFEB COc1ccc(/N=C\c2cn(C)c(=O)c3cnccc23)cc1 36624745 FLZBFVZMLFYWQA-OCKHKDLRSA-N 293.326 2.693 30 40 CFEB COC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 226102288 QQFNOPFMPRPXBR-OAHLLOKOSA-N 279.295 2.849 30 40 CFEB C=CCOc1ccc(NC(=S)NCCCOCC)cc1 225370943 GIHPRTAIOZJNLE-UHFFFAOYSA-N 294.420 2.964 30 40 CFEB N#Cc1ccc(F)cc1Cn1cnc(C2CCC2)cc1=O 89704748 JGWBYWDPTYMWDA-UHFFFAOYSA-N 283.306 2.570 30 40 CFEB N#Cc1c[nH]c(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 84057074 JWJVSARQSRFESK-UHFFFAOYSA-N 295.342 2.644 30 40 CFEB CCCNC(=O)CCNc1c(Cl)cccc1C#N 96429212 OAXYXWWRKNXSIT-UHFFFAOYSA-N 265.744 2.540 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(C)s1 96042018 FFKFSEFOABPQQG-HRCADAONSA-N 293.432 2.991 30 40 CFEB N#CCCOc1ccc(Br)cc1C=O 95731818 ACDCJJQGBJGFSX-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB Cc1ccc(S(=O)(=O)OCc2ccccc2)cc1 2244243 OVHDZBAFUMEXCX-UHFFFAOYSA-N 262.330 2.901 30 40 CFEB COc1ccc2nc(C(F)(F)Cl)c(C#N)c(N)c2c1 20103209 PZERQLCRFVOEJH-UHFFFAOYSA-N 283.665 2.985 30 40 CFEB Cn1c(C#N)ccc1C(=O)NCc1c(F)cccc1Cl 29048068 JKCQLWIVXXRKFI-UHFFFAOYSA-N 291.713 2.619 30 40 CFEB O=C1c2ccccc2C(=O)N1/N=C\c1ccccc1Cl 4963567 ZRRPREILZWWIAT-MFOYZWKCSA-N 284.702 2.970 30 40 CFEB N#Cc1cnn2c(-c3ccc(Cl)cc3)ccnc12 2787670 VJEYAIOBRDIGDT-UHFFFAOYSA-N 254.680 2.921 30 40 CFEB CN(C)NC(=C1C(=O)c2ccccc2C1=O)c1ccccc1 503771 AYXQTNUFZAOKLL-UHFFFAOYSA-N 292.338 2.543 30 40 CFEB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C#N)cc1 24946578 BDSLOWSJBNVERN-UHFFFAOYSA-N 295.298 2.739 30 40 CFEB COc1ccc(O)c(/C=N/OCc2ccccc2)c1 11101418 CKFUQLUMWNSKMC-MHWRWJLKSA-N 257.289 2.952 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2cc(F)ccc2F)c1 12775832 OULJRYAYJXRULX-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB N#Cc1ccccc1Cn1cnc2ccc(Cl)cc2c1=O 6552850 QDSNHZRBZFXQBT-UHFFFAOYSA-N 295.729 2.970 30 40 CFEB C=C(Cl)CSc1nc2ccsc2c(=O)n1C 8938112 ISGREWLVVXAPHA-UHFFFAOYSA-N 272.782 2.840 30 40 CFEB C/C(C=Nn1c(O)nc2ccccc2c1=O)=C\c1ccco1 409353456 LGIGMCQYCWDNMN-JEOQOVRRSA-N 295.298 2.633 30 40 CFEB CC(C)c1nc([C@H]2CCCN2c2ccc(C#N)cn2)no1 75573143 WIJZXCNYRKNHJZ-GFCCVEGCSA-N 283.335 2.801 30 40 CFEB COc1ccc(-c2cnc(CN(C)C[C@H](C)C#N)o2)cc1 71831046 FSUUSTZZRFDSRJ-GFCCVEGCSA-N 285.347 2.942 30 40 CFEB O=C(/N=C1/NCCS1)[C@@H]1CCCC[C@H]1C(F)(F)F 71800137 BANJZMBYTJTIOT-HTQZYQBOSA-N 280.315 2.574 30 40 CFEB Cc1nnc(SCCN2CCC(C)CC2)c(C#N)c1C 96500561 PIJXXFMOSHYAKU-UHFFFAOYSA-N 290.436 2.789 30 40 CFEB C[C@@H](C(=O)Nc1cnn(CC#N)c1)c1ccc(Cl)s1 95408449 SOPAGEXHHXHNMA-MRVPVSSYSA-N 294.767 2.864 30 40 CFEB C=CCCC(=O)NC[C@H]1COC2(CCCCCC2)O1 95991701 DKISHEBNPBWEPA-ZDUSSCGKSA-N 267.369 2.535 30 40 CFEB C=CCCCCCN(C)CCNC(=O)C1CCCC1 89340329 SOYVEQSMTCSDPQ-UHFFFAOYSA-N 266.429 2.971 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1ccccc1C 225879655 LZAWZGBOQIGIAZ-UHFFFAOYSA-N 271.320 2.689 30 40 CFEB COc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1OC 95095941 PMXYAHPASOAYKV-CABZTGNLSA-N 292.253 2.723 30 40 CFEB O=C(C1=CC[C@](O)(Cl)C(O)=C1)c1ccccc1 87492897 NPLHMXHKOMIIPH-CYBMUJFWSA-N 250.681 2.569 30 40 CFEB C=CCn1c(N)nnc1SC/C=C/c1ccccc1 45023185 AQHKZZOPLWGHRS-RMKNXTFCSA-N 272.377 2.852 30 40 CFEB Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 16101172 PCPJCCGFOTUOMJ-UHFFFAOYSA-N 272.329 2.668 30 40 CFEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5148651 JOXHNXGDBFMUSX-AUWJEWJLSA-N 270.240 2.821 30 40 CFEB COc1cccc(/C=N\N2CCCCCC2)c1OC 17354234 WTBKTSXTYDEYBY-VBKFSLOCSA-N 262.353 2.914 30 40 CFEB COc1ccc(/C=N/c2nc(C(F)(F)F)n[nH]2)cc1 4292536 HKIFHDWFBFTBQB-GIDUJCDVSA-N 270.214 2.583 30 40 CFEB C=CC[C@H](OC(C)=O)c1cccc(OC)c1OC 5432010 GLCBOHUTRMDZSE-LBPRGKRZSA-N 250.294 2.884 30 40 CFEB COc1ccc(/C=N/Cc2c(C)nn(C)c2C)cc1 100251813 PFQFOXSXYNSAPT-CXUHLZMHSA-N 257.337 2.665 30 40 CFEB CCCNC=C1C(=O)CC(c2ccccc2)CC1=O 100585053 SMALSNYFAZVBQS-UHFFFAOYSA-N 257.333 2.586 30 40 CFEB CNC(=O)c1ccccc1NCc1ccccc1C#N 11618298 BSZFYVNCOYTLIG-UHFFFAOYSA-N 265.316 2.530 30 40 CFEB CN(C)/C=N/c1cnc(C(=O)c2ccc(Cl)cc2)n1C 17723188 ZVWPLEKSOVGPEQ-RQZCQDPDSA-N 290.754 2.526 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21 100070913 HZCOEAIFIFURAN-XPABHHOTSA-N 262.349 2.723 30 40 CFEB Cc1noc(C)c1CO/N=C/c1ccc(N(C)C)cc1 32958149 OJGNESKXPDPAQM-CXUHLZMHSA-N 273.336 2.908 30 40 CFEB C=CCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1 12389023 UYXHHJMIFJKPGW-UHFFFAOYSA-N 287.319 2.896 30 40 CFEB C#CCCOc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1 58210213 FWFUDUNXKHVVED-JXMROGBWSA-N 280.327 2.718 30 40 CFEB COc1cc(Nc2ccc(N)cc2C#N)cc(OC)c1OC 20135063 DLJLRZGKJKDVLV-UHFFFAOYSA-N 299.330 2.910 30 40 CFEB N#Cc1ccc(C(=O)OCCOc2ccccc2)cc1 3474235 XUGGNYOHYXPLSG-UHFFFAOYSA-N 267.284 2.794 30 40 CFEB CN(C)C1(C/N=C(/N)Nc2ccc(F)cc2F)CCCC1 69514445 KWDMMANHGIHIPU-UHFFFAOYSA-N 296.365 2.566 30 40 CFEB CC[C@]1(C)C[C@]2(CCCN(CC#CCN(C)C)C2)CCO1 4023337 YSTCJAQWGIWABF-MSOLQXFVSA-N 292.467 2.613 30 40 CFEB biogenic N#Cc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 14143645 HHRWOKVUIPIVLA-UHFFFAOYSA-N 253.092 2.505 30 40 CFEB CCOc1ccc(S(=O)(=O)N/N=C/C(CC)CC)cc1 7951213 LZOATSDOOWIJDX-RVDMUPIBSA-N 298.408 2.786 30 40 CFEB C=CCN(CC(=O)Nc1cccc(C#N)c1)CC(F)(F)F 71900581 MAERFMVHNZQTFX-UHFFFAOYSA-N 297.280 2.547 30 40 CFEB C[C@H]1CO[C@]2(CCCN(c3ccc(C#N)cc3)C2)C1 96073322 UQACDZGGEIGPOB-CZUORRHYSA-N 256.349 2.954 30 40 CFEB C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(C#N)ccn1 283875433 UYXQJTIMKSNVDJ-SWLSCSKDSA-N 267.332 2.877 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)Cc1noc2ccccc12 58297631 ZMHDDHLSHSOANJ-UHFFFAOYSA-N 298.264 2.947 30 40 CFEB C=CCN(Cc1nc(CC)no1)Cc1cccs1 58283248 LASGWJADIHDQMW-UHFFFAOYSA-N 263.366 2.882 30 40 CFEB N#CCNC(=O)/C=C/c1cccc(OC2CCCC2)c1 67922890 QNJFFLFBOWSVRZ-CMDGGOBGSA-N 270.332 2.661 30 40 CFEB O=C(O/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3156766 KLBFNKQZZVOHMT-XNTDXEJSSA-N 270.244 2.786 30 40 CFEB N#CCC[C@@H](NC(=O)Nc1ncco1)c1ccccc1 159787568 OYXSZPXHKGFOQM-GFCCVEGCSA-N 270.292 2.841 30 40 CFEB COc1ccccc1OC(=O)c1ccc(C#N)cc1 6085311 CCOPGNYOXIAGAQ-UHFFFAOYSA-N 253.257 2.786 30 40 CFEB CC(C)(C)c1noc(COc2ccc(C#N)cc2)n1 23947463 BEYAJAAGVFUFKM-UHFFFAOYSA-N 257.293 2.818 30 40 CFEB CC(C)NC(=O)[C@@H](C#N)C(=O)CCc1cc(Cl)cs1 102743781 ISAHNIOTZAYOLY-NSHDSACASA-N 298.795 2.568 30 40 CFEB CN(Cc1ccc(F)cc1F)c1ccc(C#N)cn1 24207713 UIYNNLZUUNBMKB-UHFFFAOYSA-N 259.259 2.868 30 40 CFEB COC(=O)CCCCC1=CC[C@@H]2C(O)=CC(=O)[C@H]2C1 104276590 WJGOIDZQTASVPJ-RYUDHWBXSA-N 264.321 2.697 30 40 CFEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1ccoc1 58179707 KEYHDAPIYBNFOS-CYBMUJFWSA-N 292.298 2.565 30 40 CFEB C[C@@H](NCc1cc(C#N)ccc1F)[C@@H](C)n1cccn1 69813482 NWMVVIRDQKKNLB-VXGBXAGGSA-N 272.327 2.633 30 40 CFEB C=CCN1C[C@@H](c2nc3ccccc3n2CC)CC1=O 4943178 NPRRQJSPTFVIGK-LBPRGKRZSA-N 269.348 2.558 30 40 CFEB CCS/C(N)=N\N=C\c1c(F)cccc1Cl 5900949 LWBXBSARPHHCEU-MKMNVTDBSA-N 259.737 2.881 30 40 CFEB N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2 96004096 KCSIQBZFBRKJRP-UKRRQHHQSA-N 269.348 2.989 30 40 CFEB Cc1ccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)cc1 19791835 QRHIXGRKPXHXFJ-UHFFFAOYSA-N 288.314 2.525 30 40 CFEB C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnn(C(C)(C)C)c2)C1 71909777 ZSBWSZHACMPMCR-WBMJQRKESA-N 288.395 2.840 30 40 CFEB C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnn(C(C)(C)C)c2)C1 71909776 ZSBWSZHACMPMCR-BLLLJJGKSA-N 288.395 2.840 30 40 CFEB Cc1ccc(C#N)c(NC(=O)CCc2ccccc2)n1 89626853 IZLWKJDOEJCSOI-UHFFFAOYSA-N 265.316 2.833 30 40 CFEB N#Cc1c(-c2ccccc2)c2c([nH]c1=O)CCCC2 39259382 KIAKRKJPPWTPJE-UHFFFAOYSA-N 250.301 2.792 30 40 CFEB CCC(CC)CS(=O)(=O)/N=C(\O)CCc1ccco1 79037180 SLUVDRSTTANNLC-UHFFFAOYSA-N 287.381 2.935 30 40 CFEB C=CCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N 225836963 WNSCIPXSACIHEO-UHFFFAOYSA-N 272.739 2.767 30 40 CFEB Fc1ccccc1[C@H](OC[C@@H]1CO1)C(F)(F)F 95095925 WEBKBWVOCJAALI-XVKPBYJWSA-N 250.191 2.845 30 40 CFEB CN(CCC#N)C1CCC(NC(=O)OC(C)(C)C)CC1 96455318 PYLHUYWYFJYROC-UHFFFAOYSA-N 281.400 2.668 30 40 CFEB CC(C)(C)N(C(=O)O)c1cnc(F)cc1C(=O)CC#N 299803604 FXPQJBNXXOTTIL-UHFFFAOYSA-N 279.271 2.600 30 40 CFEB N#CCCN(CCC#N)C(=O)CCc1cc(F)ccc1F 58293056 XSVZYGNEHVTKNF-UHFFFAOYSA-N 291.301 2.553 30 40 CFEB CCN(Cc1cc(F)ccc1C#N)[C@H](C)COC 96468502 XPEURCOUFVOHPU-LLVKDONJSA-N 250.317 2.554 30 40 CFEB Cn1ccnc1CC1CCN(c2ccc(C#N)cc2)CC1 105793606 DBVSVRYUEKORIB-UHFFFAOYSA-N 280.375 2.751 30 40 CFEB CCOc1cc(Cl)cc(F)c1-n1nc(C#N)cc1N 14985533 CTQPDXMFNFZHQS-UHFFFAOYSA-N 280.690 2.517 30 40 CFEB Cc1nn(CCC(=O)Nc2ccccc2C#N)cc1Cl 2805385 PVYZTPCHHVXNFK-UHFFFAOYSA-N 288.738 2.745 30 40 CFEB CCCCCCCCOC(=O)C[C@@H]1CCS(=O)(=O)C1 100747780 UECBWHPSJRTKMG-ZDUSSCGKSA-N 290.425 2.715 30 40 CFEB C=CCOc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] 1789760 HVXZEDWKYUAAQK-UHFFFAOYSA-N 261.233 2.574 30 40 CFEB C[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCC[C@H]12 4619047 ZHNJPBGBQFADIA-WDEREUQCSA-N 261.365 2.703 30 40 CFEB C=CCn1cnnc1SCc1nnc(-c2ccccc2)o1 9460410 GWYOHHSZXZDLAV-UHFFFAOYSA-N 299.359 2.806 30 40 CFEB N#Cc1cccc(SCCOC[C@@H]2CCCO2)c1 95412687 ZWQYZKZVENTJKY-ZDUSSCGKSA-N 263.362 2.846 30 40 CFEB C[C@@H]1CCCN(c2oc(-c3cccnc3)nc2C#N)C1 35672253 UAVHHLNQMCANCE-LLVKDONJSA-N 268.320 2.845 30 40 CFEB C=CCn1nc(OCc2cccc(Cl)c2)c(C#N)c1N 225837265 PPFMNCKKNPQOKY-UHFFFAOYSA-N 288.738 2.755 30 40 CFEB CC(C)[C@@H](C)S[C@@H](C(N)=O)c1ccc(C#N)cc1 95403430 IXQBMOXWHUEMIY-ZWNOBZJWSA-N 262.378 2.862 30 40 CFEB O=C1c2ccccc2CC[C@]12O[C@@H]2c1ccccn1 13283797 XUXDNOQVOHCPEV-CVEARBPZSA-N 251.285 2.721 30 40 CFEB CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 16381771 UOZRBEZETLQILU-UHFFFAOYSA-N 294.354 2.961 30 40 CFEB N#CCC(=O)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 6650537 AYRLLAPWLRZXDT-UHFFFAOYSA-N 294.236 2.743 30 40 CFEB C#CCOC(=O)c1cc(C)n(Cc2ccco2)c1C 60905177 HRGVMCFQDNHARY-UHFFFAOYSA-N 257.289 2.536 30 40 CFEB CCC1=[N+](CC(=O)c2ccccc2)CCn2cccc21 1781078 TYUHWGYHSKQGKY-UHFFFAOYSA-N 267.352 2.596 30 40 CFEB CCC(CC)c1nnc(/N=C(\O)c2ccc(=O)[nH]c2)s1 12903587 GKCOLNHRPPPHKE-UHFFFAOYSA-N 292.364 2.766 30 40 CFEB C[C@H](SC1=NCCS1)C(=O)Nc1ccc(C#N)cc1 8329370 ACAPRNLWIGZUJZ-VIFPVBQESA-N 291.401 2.721 30 40 CFEB CCOc1ncccc1C(=O)Nc1ccc(C#N)cc1 6375131 FWEXPMDLBSETJG-UHFFFAOYSA-N 267.288 2.604 30 40 CFEB COc1ccc(C2(C(=O)N(C)CCC#N)CCCC2)cc1 69463025 FVBQVPNCUPBPTA-UHFFFAOYSA-N 286.375 2.879 30 40 CFEB Cc1cccc(CN2CCN(c3ncccc3C#N)CC2)c1 14053032 BKRBSEVDZGHWCV-UHFFFAOYSA-N 292.386 2.584 30 40 CFEB C#CCOc1c(C(=O)OC)sc(Cl)c1Cl 96511032 ONUMNISVFKLWNA-UHFFFAOYSA-N 265.117 2.854 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@H]2CC=CC[C@@H]2C1 98013201 ZBOXSURNYLUGBX-VXGBXAGGSA-N 258.346 2.658 30 40 CFEB CCO[C@H]1CSC2(C1)CN(Cc1ccccc1C#N)C2 253385585 TXGQMOPJSIFRCE-OAHLLOKOSA-N 288.416 2.655 30 40 CFEB N#CC1(NC(=O)c2cccc(Cl)c2F)CCSCC1 95975157 OSOUPATWIRQVRO-UHFFFAOYSA-N 298.770 2.998 30 40 CFEB COc1ccc(Br)c(C(=O)CC#N)c1 138926 NVZISNDFOXXQSQ-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB C=CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1579748 KFSQCPOTYKFGKY-UHFFFAOYSA-N 256.088 2.775 30 40 CFEB CN1CCc2[nH]c(=S)c(C#N)c(-c3ccncc3)c2C1 3169844 VFZLGHXFDOXUIO-UHFFFAOYSA-N 282.372 2.666 30 40 CFEB C/C(O)=N/c1nc(SCc2ccc(F)cc2)n[nH]1 21356874 TZHJECSMOBLJCQ-UHFFFAOYSA-N 266.301 2.844 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] 4866605 UQBBTDSGUQJIBT-LUNDZONKSA-N 277.324 2.690 30 40 CFEB CN(C(=O)Cc1ccc(Cl)cc1)C1(C#N)CCC1 58294577 AUPIEEYORBROHG-UHFFFAOYSA-N 262.740 2.787 30 40 CFEB COc1cc(/C=C/C(=O)NC(C)(C)C)ccc1OCC#N 3552396 IRAUVZRLJOXUHA-SOFGYWHQSA-N 288.347 2.525 30 40 CFEB Cc1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 6966510 XZRABPGQRVRQSO-UHFFFAOYSA-N 264.328 2.712 30 40 CFEB C=C(C)CN(C)C(=O)Nc1ccc(C(=O)OC)cc1 97047264 VNHYZTIUGPXEIJ-UHFFFAOYSA-N 262.309 2.513 30 40 CFEB CN1CC=C(CCNc2c(C#N)nnc3ccccc23)CC1 89374939 RIPOLZPKCRIURL-UHFFFAOYSA-N 293.374 2.565 30 40 CFEB Cc1c(C(=O)O)sc(NC(=O)c2ccccc2)c1C#N 27531122 JHHCWJAEWBUYNB-UHFFFAOYSA-N 286.312 2.879 30 40 CFEB CC1(C)C/C(=N/O)[C@H]([C@@H](O)c2ccccc2)C(C)(C)N1 33411326 VGFIOZVWVYMGPY-GJRBHXFNSA-N 276.380 2.717 30 40 CFEB N#Cc1ccc(Oc2cccc(-n3ccnc3)c2)nc1 77982090 USQRUHQHWCQLOC-UHFFFAOYSA-N 262.272 2.931 30 40 CFEB C=CCCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 54400052 SFWJSSBMOXBCKE-UHFFFAOYSA-N 253.685 2.943 30 40 CFEB N#Cc1ccc(C(=O)N2CCc3sccc3C2)cc1 10885286 PGOXOCJEUWXUIB-UHFFFAOYSA-N 268.341 2.818 30 40 CFEB O/N=C/c1cc(Br)c(O)c(Br)c1 100030385 UVKQTDFYDUQTKK-XCVCLJGOSA-N 294.930 2.725 30 40 CFEB N#Cc1ccc(COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 100902000 YTZKSAFHTYQRCR-SOUVJXGZSA-N 253.301 2.814 30 40 CFEB CC(=O)/C(=N\Nc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 101400548 STIQDWNLCUIMME-BMRADRMJSA-N 299.286 2.988 30 40 CFEB N#Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 32779619 OJKMUJQIHRDROD-UHFFFAOYSA-N 298.390 2.650 30 40 CFEB CCOC(=O)/C(=N/O)C(C)(C)c1ccnc2ccccc12 104149054 OWIBBCXXXSNKAQ-JXAWBTAJSA-N 286.331 2.906 30 40 CFEB O=C1COc2c(cc(OCc3ccccc3)cc2[C@@H]2CO2)N1 114091563 QKZJSZZMIRDNNQ-HNNXBMFYSA-N 297.310 2.668 30 40 CFEB C=C(C)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 58340937 PDQLMSGGYVJZDL-UHFFFAOYSA-N 283.375 2.502 30 40 CFEB C[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCC[C@H]12 4619046 ZHNJPBGBQFADIA-GHMZBOCLSA-N 261.365 2.703 30 40 CFEB Cc1nc(S[C@H](C)C(=O)NC2CC2)c(C#N)c(C)c1C 7059698 LRQUEHVZGJFILN-LLVKDONJSA-N 289.404 2.638 30 40 CFEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 7926917 IGHOCYBUSZSZRZ-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cccc(C#N)c2)C1(C)C 75293611 FIVUINUWMXOJGB-PBHICJAKSA-N 286.375 2.834 30 40 CFEB CCO/C=N/c1c(C#N)c(C)nn1-c1ccccc1 39964244 FCHVVUMHVOQECF-MHWRWJLKSA-N 254.293 2.749 30 40 CFEB NC(=S)N/N=C1\CCCC\C1=C\c1ccccc1 33493120 FPXMOZPLGOOXJA-CULHNLHRSA-N 259.378 2.833 30 40 CFEB Cc1cc(/C=N/O)cnc1N1CCc2ccccc2C1 72222835 GWRCUQNWVCFDHW-VCHYOVAHSA-N 267.332 2.761 30 40 CFEB C=C(C)CNC(=O)c1cc(C)nc2onc(C(C)C)c12 189410455 PKEMRZVNUROIKQ-UHFFFAOYSA-N 273.336 2.961 30 40 CFEB CC(C)c1cc[n+](CC(=O)N(C)c2ccccc2)cc1 41124484 BRAFVIIVBMQATC-UHFFFAOYSA-N 269.368 2.761 30 40 CFEB N#Cc1ccc(NCCCn2cnc3ccccc32)cn1 130918938 FBBXHIRCLZRHEI-UHFFFAOYSA-N 277.331 2.805 30 40 CFEB N#C[C@@H](c1c(Cl)cccc1Cl)n1cncn1 255188425 JTLQURIKDXXULR-VIFPVBQESA-N 253.092 2.698 30 40 CFEB C=C(C)[C@@H]1COc2c(cc3ccc(=O)oc3c2OC)O1 14615895 UKSGFFQLAZFFBP-NSHDSACASA-N 274.272 2.518 30 40 CFEB biogenic,in-vitro Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1[N+](=O)[O-] 32735991 PGDKPAVYEQSNFD-AWEZNQCLSA-N 275.308 2.571 30 40 CFEB N#Cc1c(N)cc(N)nc1SCc1cccc(F)c1 40467376 VIYPHLQEKBKFJU-UHFFFAOYSA-N 274.324 2.549 30 40 CFEB Cc1cccc(/N=C2/CSc3nnc(C)n3N2)c1C 27525611 ZOTPMPZFVCWAGN-UHFFFAOYSA-N 273.365 2.583 30 40 CFEB C=CCN(C(=O)COCC)c1nc2c(s1)CCCC2 58595867 VKZMGIBEIQDURG-UHFFFAOYSA-N 280.393 2.577 30 40 CFEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2O 13487310 GQYNAQANODCSRC-GHXNOFRVSA-N 272.231 2.853 30 40 CFEB N/C(=N/N=C/c1ccccc1O)SCc1ccccc1 5773857 GAZLVEWWBRFNON-LICLKQGHSA-N 285.372 2.974 30 40 CFEB CCN1CCN(C(=O)C2(C#N)CCCC2)c2ccccc21 71894343 MONJIFQPGHNSRD-UHFFFAOYSA-N 283.375 2.943 30 40 CFEB C[C@H](Sc1ccccc1C#N)C(=O)NC(C)(C)C 75146494 DQZCAUXRLXUXNG-JTQLQIEISA-N 262.378 2.954 30 40 CFEB COc1cccc2c1OC[C@@H](NCc1ccc(C#N)cc1)C2 77412411 DMOKDKDWMCIRTO-INIZCTEOSA-N 294.354 2.660 30 40 CFEB CC(C)(C)CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198024006 ACQPHXBKCCSHKC-UHFFFAOYSA-N 290.216 2.839 30 40 CFEB C=CCOc1ccc(CN(C)CC#N)cc1Cl 97230513 LTWCCFJCVJGVPT-UHFFFAOYSA-N 250.729 2.860 30 40 CFEB CCOc1ccc(NC(=O)NC[C@@H](C)C#N)cc1C 95410869 PCIYJUITMHSPSV-JTQLQIEISA-N 261.325 2.675 30 40 CFEB Cc1nn(C)c(C)c1CCNc1snc(Cl)c1C#N 84012214 XQILUQUZXZQRPG-UHFFFAOYSA-N 295.799 2.673 30 40 CFEB C[C@H](C#N)OC(=O)c1cc(Cl)cc(Cl)c1N 8186714 HWJAVESVCYXOQS-RXMQYKEDSA-N 259.092 2.644 30 40 CFEB CC(=O)Oc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 30297 NVSUHGQLNBEOSQ-UHFFFAOYSA-N 280.283 2.736 30 40 CFEB Cc1ccccc1[C@H]1CCCC[C@@H]1OS(C)(=O)=O 1706506 LHBMHKCBYLAOCR-KGLIPLIRSA-N 268.378 2.997 30 40 CFEB CCOc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1O 6595537 KYVAKJDLLNNYMU-RQZCQDPDSA-N 297.314 2.711 30 40 CFEB CCn1cc(/C=C\C(=O)c2ccc(OC)cc2)cn1 6637031 IWAOCJNVZOGLGG-WTKPLQERSA-N 256.305 2.808 30 40 CFEB O=C1C(Cl)=C(NCc2ccco2)C(=O)c2ccccc21 100486288 HUQAZTJPZNRJDY-UHFFFAOYSA-N 287.702 2.899 30 40 CFEB CC/C(=N/N=C1\NC(=O)[C@@H](CC)S1)c1ccccc1 59484587 AGGVHSMVBZIUSD-COOUDCDJSA-N 275.377 2.798 30 40 CFEB O=[N+]([O-])c1ccc2cnn([C@@H]3/C(=N/O)[C@H]4CC[C@H]3C4)c2c1 100986986 QIQAHKJQTWPJMH-UJVDNFMVSA-N 286.291 2.746 30 40 CFEB Cc1ccc(/C=[N+](/[O-])[C@@H]2SC(=S)N(C)C2(C)C)cc1 8670258 VNGQPOZLNHEJRS-GFQQVXNGSA-N 294.445 2.992 30 40 CFEB CC(C)CC[C@]1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6851355 XDECAYGGJQAZHK-KRWDZBQOSA-N 299.374 2.805 30 40 CFEB N#CCNC(=O)CCc1cccc(OC2CCCC2)c1 67922891 HJZJHDDIBZIUGX-UHFFFAOYSA-N 272.348 2.580 30 40 CFEB N#Cc1ccc(F)cc1CN1CCCC[C@H]1c1nc[nH]n1 97055828 RGXOMPXAMVMLAL-AWEZNQCLSA-N 285.326 2.543 30 40 CFEB C=CCOc1cc(OC)ccc1C(=O)N(C)C1CCC1 97147102 WPRYERQEPRVVHM-UHFFFAOYSA-N 275.348 2.885 30 40 CFEB CCc1nc(C#N)c(NC[C@@H](c2ccsc2)N(C)C)o1 72427638 GXXYHQBLVPJNJS-LBPRGKRZSA-N 290.392 2.885 30 40 CFEB CCOC(=O)c1c(Cl)c(C)nc(Cl)c1C#N 225736002 YVDZDRBCKDVDAJ-UHFFFAOYSA-N 259.092 2.745 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccs1 96057819 YBBHRZLBFOKQPO-RRFJBIMHSA-N 279.405 2.683 30 40 CFEB Cc1cccc(NC(=O)CCNc2ccc(F)cc2C#N)n1 91463451 IEGYRGKLSPHTPX-UHFFFAOYSA-N 298.321 2.842 30 40 CFEB COc1ccc(OC)c(C#CCO[C@@H]2CCCCO2)c1 95632974 BWUNGXTWCLBHCI-MRXNPFEDSA-N 276.332 2.599 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1c2ccccc2C[C@@H]1O 53602080 RCHXVMAYTZJJDK-JKSUJKDBSA-N 295.298 2.537 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 15012740 KKKXMBVDCOTEPP-XFFZJAGNSA-N 293.731 2.715 30 40 CFEB CCc1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1 2601625 KAMYXZWXUXQEAD-HNNXBMFYSA-N 286.400 2.775 30 40 CFEB N#Cc1nc(-c2ccco2)c(-c2ccco2)nc1C#N 1716120 BFFOXHLMSQDMHO-UHFFFAOYSA-N 262.228 2.740 30 40 CFEB O=[N+]([O-])c1ccc2cnn([C@H]3/C(=N/O)[C@H]4CC[C@H]3C4)c2c1 100986983 QIQAHKJQTWPJMH-DOQLRLLFSA-N 286.291 2.746 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CSc1ccccc1 58277604 KDLJXJVPDRGGDH-LBPRGKRZSA-N 262.378 2.787 30 40 CFEB C#CCOc1ccc(/C=N/NCc2ccccc2OC)cc1 20762831 BNJINNVTFQFCQY-CPNJWEJPSA-N 294.354 2.831 30 40 CFEB COc1ccc(CC(=O)Nc2sccc2C#N)cc1 3288569 PALDQPIKUCHAEK-UHFFFAOYSA-N 272.329 2.810 30 40 CFEB N/C(=N\C[C@H]1CCCO1)SC/C=C/c1ccccc1 11159145 VTBDTJOPUMFKQT-LHRNQBEKSA-N 276.405 2.927 30 40 CFEB N#CC1(NC(=O)c2ccc(Br)cc2F)CCC1 37843888 DWAHZXONRFXQTC-UHFFFAOYSA-N 297.127 2.764 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(C#N)ccc2F)c1 69538577 BDQHPDAZHYIIKI-OLZOCXBDSA-N 286.354 2.942 30 40 CFEB CC(=O)Nc1ccc(C(=O)Nc2sccc2C#N)cc1 14626647 IOYQMKQKMYGTQI-UHFFFAOYSA-N 285.328 2.830 30 40 CFEB CC1CCN(CC(=O)Nc2c(C#N)oc3ccccc23)CC1 44875194 MIJLEWINWUVTKD-UHFFFAOYSA-N 297.358 2.975 30 40 CFEB C[C@@H]1C[C@@H]2O[C@H]2[C@@H](C)N1C(=O)OCc1ccccc1 252493099 MZHAAAUPACQECJ-RFHZTLPTSA-N 261.321 2.573 30 40 CFEB CCOc1ccc(C#CCO[C@H]2CCCCO2)cc1 95632089 WLWFAMRKTCNXRM-INIZCTEOSA-N 260.333 2.980 30 40 CFEB CC(C)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 224843744 UWCZZWMVFNEHQZ-UHFFFAOYSA-N 286.184 2.916 30 40 CFEB CCCCCC#CC[C@H](O)[C@H](O)COCc1ccccc1 5782290 BOIFQAQIEVVUJL-ZWKOTPCHSA-N 290.403 2.899 30 40 CFEB N/N=C(C(=N\N)\c1ccc2ccccc2c1)/c1ccccc1 13403226 WEWAHUJYCVJJNG-QGFZOGOGSA-N 288.354 2.866 30 40 CFEB CCCCOc1cccc(N/N=C(\C#N)C(=O)OCC)c1 2227756 JCHCLMLNGNOABW-NBVRZTHBSA-N 289.335 2.720 30 40 CFEB C/C(=N\O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101669724 FHCPXEHVSPVQGH-ZJLQCSDHSA-N 286.331 2.564 30 40 CFEB C=C[C@@]1(O)C[C@@H]2[C@H]3C4C5[C@H](CC[C@@H]5[C@H]5[C@@H]4[C@H]2C[C@@]5(O)C=C)[C@@H]31 104291309 HHDXNQYASCNGKB-UIIOVOIYSA-N 298.426 2.625 30 40 CFEB COC(=O)Cc1ccc(OCc2cccc(C#N)c2)cc1 44868800 HMNLMMKQEGREPV-UHFFFAOYSA-N 281.311 2.853 30 40 CFEB Fc1ccc(/C=N/NC(=S)Nc2cccnc2)cc1F 12510901 WMYYGBAHVNKYPJ-REZTVBANSA-N 292.314 2.680 30 40 CFEB O=[N+]([O-])c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 5670446 FXMDETNQUFEBSY-RIYZIHGNSA-N 287.231 2.959 30 40 CFEB C=CCN(Cc1cnc2nc(C)cc(C)n12)CC(F)(F)F 92471908 VRVMIXVTKRRPOW-UHFFFAOYSA-N 298.312 2.896 30 40 CFEB O=C(O)c1cc(N/N=C/c2cccnc2)ccc1Cl 4924152 SUOIONURGSGMPL-LZYBPNLTSA-N 275.695 2.879 30 40 CFEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1 76253931 URPHGRRCQPFTNL-GFCCVEGCSA-N 280.780 2.722 30 40 CFEB N#Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1C#N 75144209 UBVVFLGASOXQIZ-SOFGYWHQSA-N 298.305 2.954 30 40 CFEB N#CC1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 89800356 QVJVXUDJMWGXNT-UHFFFAOYSA-N 279.343 2.833 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)CNc1cccc(C#N)c1 21889547 JITPMUQCEVNEIM-SWLSCSKDSA-N 271.364 2.665 30 40 CFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC#N 96416957 FAQQREDFGBVRBO-UHFFFAOYSA-N 284.237 2.524 30 40 CFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc([N+](=O)[O-])cc1 5123918 XOUNNAOZWAJRED-UVTDQMKNSA-N 294.266 2.939 30 40 CFEB O=C(O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1 5125479 BRRJAUXHRZKSMY-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB BrC(=C\c1ccccc1)/C=N/n1cncn1 5772331 LQYGMIJWLXXXLL-DKSOOILDSA-N 277.125 2.548 30 40 CFEB Cc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1C 1617213 WWXVKGVVZKASGP-LFIBNONCSA-N 288.372 2.616 30 40 CFEB O=C(O)c1ccc(/N=C\c2ccc(O)cc2O)cc1 4530059 BYHNHDIOEVRDLV-NVNXTCNLSA-N 257.245 2.547 30 40 CFEB Cc1c(CNCCc2cccc(F)c2)cc(C#N)n1C 40465512 IEKWSVSFBVOJSG-UHFFFAOYSA-N 271.339 2.677 30 40 CFEB Cc1cc(O)c(C(=O)/C=C/c2cccc(F)c2)c(=O)o1 102527904 LDIXITZOUYHLKY-AATRIKPKSA-N 274.247 2.689 30 40 CFEB CC1CCN(c2c([N+](=O)[O-])cc(C#N)cc2[N+](=O)[O-])CC1 26508678 KTEXCZPOYPZGLR-UHFFFAOYSA-N 290.279 2.611 30 40 CFEB Cc1cc(O)nc(N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)n1 102944965 GOHVJEPTQWSJHA-FUTIWJJHSA-N 272.352 2.881 30 40 CFEB N#Cc1ccc(COC(=O)[C@H]2Cc3ccccc3O2)cc1 25259750 ALYOMHUKODRJFJ-MRXNPFEDSA-N 279.295 2.605 30 40 CFEB CCN(CC(=O)NC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 58245480 PSWFANWEABQVDA-AWEZNQCLSA-N 299.418 3.000 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1C#N 3445262 COIXUOIGLXYUHQ-OCCSQVGLSA-N 272.348 2.632 30 40 CFEB CCSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238267 DQZSOIFAXHIJBH-UHFFFAOYSA-N 271.345 2.729 30 40 CFEB N#Cc1ccc(N2CCC(NC[C@H]3CC=CCC3)CC2)nc1 95433963 XFOLSXFBMVIKMU-HNNXBMFYSA-N 296.418 2.868 30 40 CFEB C=C[C@H](C)OC(=O)c1cncc(Br)c1 187621641 PEAVIFVWPAUSTG-ZETCQYMHSA-N 256.099 2.575 30 40 CFEB C/C(Cl)=N\OC(=O)Nc1ccc([N+](=O)[O-])cc1 73409369 FUBOKEYHEDZUPI-WUXMJOGZSA-N 257.633 2.716 30 40 CFEB N#Cc1c(C#N)c(-c2ccco2)n(/N=C/c2ccco2)c1N 1647971 XNIVBTJMWLISEX-DJKKODMXSA-N 291.270 2.549 30 40 CFEB Cc1nc2c3ccccc3nc(SCCCC#N)n2n1 13229019 KUGVEATTXJYIPD-UHFFFAOYSA-N 283.360 2.982 30 40 CFEB C=C(C)c1nc(C#N)c(N/N=C/c2cccc(O)c2)o1 27562516 BYXZVMJGXYEOFB-LZYBPNLTSA-N 268.276 2.731 30 40 CFEB N#Cc1ccc(OCCSc2nnc3ccccn23)cc1 22147307 WHMJXUSVQCCMHH-UHFFFAOYSA-N 296.355 2.772 30 40 CFEB C/C(=C\C(=O)c1ccc(Oc2ncccn2)cc1)N(C)C 12336831 MDGRAOKRWCLFBS-VAWYXSNFSA-N 283.331 2.917 30 40 CFEB O/C(Cc1ccc(F)cc1)=N\c1nc(-c2ccccn2)n[nH]1 54004912 NFLULTNNADXLDV-UHFFFAOYSA-N 297.293 2.837 30 40 CFEB C=CCNc1nc(N)c(C(=O)c2ccccc2)s1 1817699 NJWGWVLFRYCKGD-UHFFFAOYSA-N 259.334 2.554 30 40 CFEB in-vitro C(=N/Nc1nn2cnnc2c2ccccc12)\c1cccs1 4206044 RTYZYUQJZRSGQN-OVCLIPMQSA-N 294.343 2.785 30 40 CFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc([N+](=O)[O-])o2)c1 22352746 LXOMHMFPXQDBLS-NTUHNPAUSA-N 291.219 2.647 30 40 CFEB N#Cc1cnccc1NC(=O)[C@@H]1SCCc2ccccc21 97009847 QFZRKCIWBCUYBO-OAHLLOKOSA-N 295.367 2.922 30 40 CFEB COC[C@@](C)(C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 95436210 XQPALMPEZXYBMH-XHDPSFHLSA-N 294.782 2.563 30 40 CFEB N#Cc1ccccc1OCCSCc1ccon1 89809552 HKNHPFOAXFAZBS-UHFFFAOYSA-N 260.318 2.858 30 40 CFEB O=C(/C=C/Nc1ccc([N+](=O)[O-])cc1)c1ccco1 409177209 DMCQSLNLPGZTJF-BQYQJAHWSA-N 258.233 2.996 30 40 CFEB CC1(C)C[C@H](NCCCSCC#N)C(C)(C)O1 132587304 LCHSMGABUHLVQN-NSHDSACASA-N 256.415 2.569 30 40 CFEB COC(=O)/C(=C/c1ccc(F)cc1Cl)C(C)=O 80349031 SOGUCWFOKBJAQO-BJMVGYQFSA-N 256.660 2.625 30 40 CFEB CCOC(=O)[C@H](C)Sc1ccc(C#N)cc1F 71921883 JPYRRLJMUKZERO-QMMMGPOBSA-N 253.298 2.741 30 40 CFEB COc1ccc(O)c(/C=N/c2ccc(C(=O)O)cc2)c1 3122919 QBUCOIMTCULYJT-CXUHLZMHSA-N 271.272 2.850 30 40 CFEB N#CC1(NC(=O)CNc2cc(Cl)ccc2F)CCCC1 40012042 OMFJFCITQZMTNZ-UHFFFAOYSA-N 295.745 2.844 30 40 CFEB COc1cc(F)ccc1NC(=O)c1cccc(C#N)c1 25308806 XRCFWSXJZYEFLC-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB C=CCOc1ccc(CNCCN(CC)CC)cc1 20089706 PFZRMEYOBNCXLI-UHFFFAOYSA-N 262.397 2.683 30 40 CFEB N#Cc1cnn(-c2ccc(Cl)cc2Cl)c1N 93146 WDDDQTCPSCIJSL-UHFFFAOYSA-N 253.092 2.633 30 40 CFEB N#Cc1cccc(CN2C(=O)CN(c3ccccc3)C2=O)c1 47170792 PGGRKTRNMDCXHL-UHFFFAOYSA-N 291.310 2.527 30 40 CFEB COc1ccc(OC)c(Nc2ccc(N)cc2C#N)c1 20134929 CBQDUIMLGVEKFT-UHFFFAOYSA-N 269.304 2.901 30 40 CFEB C=C[C@]1(C)C[C@H](O)O[C@@H](COCc2ccccc2)C1 22005312 ZCYLFFKMWRKJFB-OAGGEKHMSA-N 262.349 2.893 30 40 CFEB N#Cc1c(-c2ccc(F)cc2)ccnc1N1CCOCC1 20405718 UPSAFUFPYLXOKM-UHFFFAOYSA-N 283.306 2.596 30 40 CFEB CC(C)c1nnc(NC(=O)c2cccc(C#N)c2)s1 8117197 PSCPIEJSLWSUND-UHFFFAOYSA-N 272.333 2.785 30 40 CFEB CCC(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N 20151461 PJJAUJKDOPWQDR-UHFFFAOYSA-N 296.374 2.661 30 40 CFEB CCN(/C(O)=N/CC1=CCCOC1)[C@H]1CCOC(C)(C)C1 329738423 MUUFPSSZSCDHHX-AWEZNQCLSA-N 296.411 2.527 30 40 CFEB Cc1nc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)co1 225890641 JOBXSACFRVEGRU-UHFFFAOYSA-N 267.288 2.791 30 40 CFEB O/C(CN1CCC[C@@H]1c1ccccc1)=N\c1nncs1 45810661 UEEMYCVKSYOTGE-GFCCVEGCSA-N 288.376 2.963 30 40 CFEB C#CCNC(=O)c1cccc(Oc2ccccc2)c1 18891245 ANCLJIYEUQQUIX-UHFFFAOYSA-N 251.285 2.842 30 40 CFEB C=CCO/N=C(/CCC)C1=C(N)CC(C)(C)CC1=O 20791944 WHAQHRPGZUYDCL-ATVHPVEESA-N 264.369 2.947 30 40 CFEB FC(F)(Br)[C@@](F)(Cl)C[C@@H]1CO1 2526360 UCZRRFGLOXGSDP-QWWZWVQMSA-N 253.445 2.668 30 40 CFEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN 390099 HPQVWRBUXRICQG-UHFFFAOYSA-N 265.320 2.516 30 40 CFEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2nc[nH]n2)o1 459563 GNACGIJFEHNZMZ-VGOFMYFVSA-N 283.247 2.724 30 40 CFEB CC(=O)Nc1ccc(/C=N/OCc2c(C)noc2C)cc1 32957963 JARFUGQWRBOBCW-LZYBPNLTSA-N 287.319 2.801 30 40 CFEB CN(C(=O)c1cnc(C(C)(C)C)s1)C1(C#N)CCC1 49313787 IOOCRAAMQSOYHU-UHFFFAOYSA-N 277.393 2.959 30 40 CFEB C=CCn1c([C@H]2COc3ccccc3O2)n[nH]c1=S 6293531 UXWIWMSECBUGBZ-LLVKDONJSA-N 275.333 2.639 30 40 CFEB COC(=O)c1ccc(Nc2ccc(N)cc2C#N)cc1 408712876 YMLVSPRDCUUFQG-UHFFFAOYSA-N 267.288 2.671 30 40 CFEB N/C(=N\OC(=O)c1cccc2ccccc12)c1ccncc1 4565356 JBDZSMSJEAKSLB-UHFFFAOYSA-N 291.310 2.712 30 40 CFEB C/N=C1\S/C(=C/c2ccc(OC)c(Cl)c2)C(=O)N1C 4664172 SAQIEDISFDGKCR-BGDPHZDFSA-N 296.779 2.881 30 40 CFEB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C#N)cc1 7405635 ZTHCNIFBFDUAKE-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB COc1cc(CNc2nccnc2C#N)c2ccccc2n1 78458039 JTHPDVCEVJKRMC-UHFFFAOYSA-N 291.314 2.517 30 40 CFEB COc1cc([C@@H](C#N)N2CCCCCC2)ccc1O 49573690 NUVHEHXLBXHODA-CYBMUJFWSA-N 260.337 2.841 30 40 CFEB N#Cc1cccnc1NCc1ccn(-c2ccccc2)n1 48353939 GRYCCLAUCGDARQ-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB N#Cc1c(N)sc2c1CN(Cc1ccccc1)CC2 259357927 DBPFOXPFZIXNKG-UHFFFAOYSA-N 269.373 2.760 30 40 CFEB COc1ccc(CC#N)c(Br)c1OC 34398441 DUDRWPAFARHZKZ-UHFFFAOYSA-N 256.099 2.532 30 40 CFEB Oc1ccccc1/C=N\CC/N=C\c1ccccc1O 96295527 VEUMANXWQDHAJV-WHYMJUELSA-N 268.316 2.636 30 40 CFEB C/C(=N\Nc1ccncc1[N+](=O)[O-])c1ccccc1 16137217 STOVLWXEGNEGPQ-XNTDXEJSSA-N 256.265 2.826 30 40 CFEB N#Cc1cc(NC(=O)NCc2ccccn2)ccc1Cl 40023606 CKJBSJXRBVYYDH-UHFFFAOYSA-N 286.722 2.928 30 40 CFEB C=CCn1/c(=N/C(=O)CC)sc2cccc(OC)c21 100909744 WQPRJSMQMGHCAA-PFONDFGASA-N 276.361 2.735 30 40 CFEB Cc1ccc(C2=NNC(=N)/C2=N\Nc2ccccc2F)cc1 16949242 TWXKPIKRGKSSNK-UHFFFAOYSA-N 295.321 2.887 30 40 CFEB COC(=O)[C@H]1O[C@H]1c1cc(Cl)cc(Cl)c1OC 1704584 FTOYPHSRTPHZPU-UWVGGRQHSA-N 277.103 2.615 30 40 CFEB C[C@H]1CC(=O)C=C(NN(C)c2ccc(C(F)(F)F)cn2)C1 100946615 LMRKRLYIIJLWEQ-SECBINFHSA-N 299.296 2.924 30 40 CFEB COc1ccc(/C=N/c2ccc(O)cc2)cc1C(=O)O 100287274 LNGHDDOMEGJMRY-CXUHLZMHSA-N 271.272 2.850 30 40 CFEB O=S(=O)(/N=C(\O)c1ccco1)c1ccc(Cl)s1 46928670 ULWFJAZLHRBENR-UHFFFAOYSA-N 291.737 2.688 30 40 CFEB COc1ccc(/C=N/n2cnc3ccccc32)cc1 523979 ASOXSLMKOBCHJX-LICLKQGHSA-N 251.289 2.927 30 40 CFEB C#Cc1cccc(NC(=O)c2cnc3onc(C)c3c2)c1 42649419 OQKPRNVBJYKUQJ-UHFFFAOYSA-N 277.283 2.765 30 40 CFEB C[C@H](C#N)CN(C)C(=O)/C=C/c1c(F)cccc1F 58364013 IKAIGAZPERKRNT-VQCYPWCPSA-N 264.275 2.596 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1 12870623 DQTUIACCRKVEBH-UHFFFAOYSA-N 299.355 2.521 30 40 CFEB C#CCN1CCC(c2nc(-c3ccccc3)no2)CC1 69516888 NFGZOJBJYRKMOE-UHFFFAOYSA-N 267.332 2.549 30 40 CFEB N#Cc1nccnc1N1CCC(Oc2ccc(F)cc2)CC1 96406543 GHJBFBLPSFHWRX-UHFFFAOYSA-N 298.321 2.535 30 40 CFEB C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 95406924 GJOQHZRLDCVYGQ-XHDPSFHLSA-N 285.372 2.655 30 40 CFEB N#CCc1ccc(NC(=O)c2cccc(C#N)c2)cc1 8126153 GRKPRSQNNKVQMH-UHFFFAOYSA-N 261.284 2.877 30 40 CFEB N#Cc1ccccc1OCC(=O)OCc1ccccc1F 3257883 BBMDNRYKMCNLCM-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB Cc1cc(C)c(/C(N)=N/OC(=O)C(C)(C)C)c(Cl)n1 12446155 FGQYCHJEZBHSHD-UHFFFAOYSA-N 283.759 2.561 30 40 CFEB CC(C)/N=C(/S)N/N=C/c1c[nH]c2ccccc12 8685323 NCHIYFHYEBZJQW-OVCLIPMQSA-N 260.366 2.786 30 40 CFEB Cc1occc1C(=O)[C@@H](C#N)C(=O)c1cccc([N+](=O)[O-])c1 103503094 FHSZIVYEFQAEBW-ZDUSSCGKSA-N 298.254 2.702 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CCc2sccc2C1 12215892 AISQZUZRPPTBMQ-UHFFFAOYSA-N 298.367 2.583 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccccc1F 100642455 ZGSPFUMIMNRCQE-LUAWRHEFSA-N 283.258 2.923 30 40 CFEB C=Cn1cc[n+](CC(=O)c2cccc3ccccc23)c1 12349617 JLXAMHXUKCNOKE-UHFFFAOYSA-N 263.320 2.912 30 40 CFEB C=CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220821 OMJDSHVUDUJASX-CQSZACIVSA-N 292.810 2.854 30 40 CFEB Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)no1 47956010 OJGHCYKDMPGIJS-JTQLQIEISA-N 270.292 2.737 30 40 CFEB C[C@H](C#N)Sc1nnc(S[C@H](C)C#N)s1 5118673 JCZFJCAACUMSMF-PHDIDXHHSA-N 256.381 2.546 30 40 CFEB FC(F)(F)c1ccc(N/N=C/c2cccnc2)nc1 6831916 HAVWRJODFKXHEU-CNHKJKLMSA-N 266.226 2.941 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)c2ccsc2)c(C)o1 97035226 GSFGLMKHAQVAMG-UHFFFAOYSA-N 285.346 2.651 30 40 CFEB C#CCOc1cccc([C@@H](C)NCc2cnn(C)c2C)c1 97229839 RNWVSSVVWBRADV-CYBMUJFWSA-N 283.375 2.591 30 40 CFEB C=CC[C@@H](C)[C@H](C)NCc1cccc(C(=O)NC)c1 95420967 RDCAKIPFDOURRZ-OLZOCXBDSA-N 260.381 2.737 30 40 CFEB CCc1nn([C@H]2C=CCCC2)c(=O)c(C#N)c1CC 89282585 DPQMJTIFMFOHGK-NSHDSACASA-N 257.337 2.521 30 40 CFEB CC(C)(C#N)NC(=O)CCCc1ccc(F)c(F)c1 89620850 MDJZMSQMIUFFSL-UHFFFAOYSA-N 266.291 2.706 30 40 CFEB CCSCC[C@@H](C)N(C)C(=O)c1ccc(C#N)cn1 75381114 GXYHFRKNBJEOEP-LLVKDONJSA-N 277.393 2.557 30 40 CFEB COc1c(N)cc(C#N)n1Cc1ccccc1Cl 225873161 VPQPMEGGPVCFAF-UHFFFAOYSA-N 261.712 2.652 30 40 CFEB COc1ccc(C[C@H](C)C/N=C(/O)N2CCCCO2)cc1 328686780 GMSZFGYTHCMHHL-ZDUSSCGKSA-N 292.379 2.815 30 40 CFEB CN(C)/C=C/C(=O)c1ccc(F)c(Br)c1 82545879 QGVUJFCHBXZNQN-AATRIKPKSA-N 272.117 2.846 30 40 CFEB N#Cc1cccc(C(=O)N2C[C@H]3C[C@H]2C[C@H]3OCC2CC2)c1 247662586 UCDSPRFFAHGKBJ-IXDOHACOSA-N 296.370 2.588 30 40 CFEB CC1(C)[C@@H]2C[C@H]3OB([C@@H](N)Cc4ccccc4)O[C@@]3(C)[C@@H]1C2 265540951 VBPSRSJQIVBEOE-QXUSFIETSA-N 299.223 2.824 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)[C@H]1Cc2ccccc2O1 66306128 FGSLKYZRGHRHHK-GFCCVEGCSA-N 285.265 2.567 30 40 CFEB CCN1C(=S)SC(=O)C1=C1C=C(C)OC(C)=C1 3252140 GZSRYRGCZKSDBY-UHFFFAOYSA-N 267.375 2.959 30 40 CFEB COC(=O)c1ccc(C#Cc2ccc(C(=O)OC)cc2)cc1 32297197 HVBNYTAAHLESOR-UHFFFAOYSA-N 294.306 2.660 30 40 CFEB CSc1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1 1776011319 KCULUAOGWGVSGF-UHFFFAOYSA-N 286.360 2.500 30 40 CFEB CCOC(=O)c1ccoc1CNc1ccc(C#N)cc1 40477478 ZFPRHCKSZTZLEG-UHFFFAOYSA-N 270.288 2.940 30 40 CFEB CC/N=C1\S/C(=C\c2ccco2)C(=O)N1CC 6634120 UAVGRZIWQYUHPE-OCACNAFOSA-N 250.323 2.592 30 40 CFEB C=CCN(CC=C)C(=S)Oc1ccc2nccnc2c1 408735199 LYLCRYNGAROTDP-UHFFFAOYSA-N 285.372 2.968 30 40 CFEB C=CCNc1nc(C(F)(F)F)c(C(=O)OCC)s1 4294227 IIUSHMZAVJXCRQ-UHFFFAOYSA-N 280.271 2.937 30 40 CFEB Cc1noc(C)c1C(=O)OCc1ccc(C#N)cc1 5197969 RWJWJCIYDJDVLL-UHFFFAOYSA-N 256.261 2.520 30 40 CFEB C=CCNC(=O)[C@H](C)Oc1cccc2ccccc12 13708815 HCQGZGJLTHUBHP-LBPRGKRZSA-N 255.317 2.909 30 40 CFEB CC(=O)Oc1ccccc1/N=C1/C=C2CCCCCN2C1=O 226820127 FDCLRHOHRFWZEM-SDXDJHTJSA-N 298.342 2.985 30 40 CFEB CCCCCCCCc1c(C)nc(NCCO)nc1O 98048993 AIMWOPAEPNULSP-UHFFFAOYSA-N 281.400 2.798 30 40 CFEB Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCCC3)cc21 85346109 CDCBVJIPGIVETB-UHFFFAOYSA-N 285.322 2.540 30 40 CFEB C[C@@H](N)[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 70175086 CZZWCAXSEMXIGF-GHMZBOCLSA-N 263.772 2.775 30 40 CFEB N#Cc1cccc(COC(=O)Cc2ccsc2)c1 21769589 BAPFPKUKRJQGOW-UHFFFAOYSA-N 257.314 2.906 30 40 CFEB NC(=O)COc1ccc(/C=N/c2cccc(Cl)c2)cc1 18068953 NIAOAZGXZIBMSN-GIJQJNRQSA-N 288.734 2.955 30 40 CFEB Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCCC2)cc1 505620 XUGCYAMWEFTMEO-LDADJPATSA-N 279.347 2.808 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(O)cc1O 105499084 HNHUMSVDXSBIEW-GIJQJNRQSA-N 282.303 2.810 30 40 CFEB C[C@@H](Sc1ncc(C#N)c(N)n1)c1ccc(F)cc1 12557949 FCQZAZNPQLHNMM-MRVPVSSYSA-N 274.324 2.923 30 40 CFEB C=C(C)CN1CCC(C(=O)Nc2nc(C)cs2)CC1 58326694 MFAGBZTTZLSPLA-UHFFFAOYSA-N 279.409 2.678 30 40 CFEB Cc1ccc(/C=[N+](\[O-])[C@H]2N(C)C(=S)SC2(C)C)cc1 2254850 AXVDITCJMNHFTL-DZZSIBQASA-N 294.445 2.992 30 40 CFEB CN(C)Cc1ccccc1CNCc1cccc(C#N)c1 11094980 VWAYTHFDWAAOMA-UHFFFAOYSA-N 279.387 2.910 30 40 CFEB COc1ccc(C(=O)COc2cccc(C#N)c2)c(OC)c1 6401436 DGWFFJITDMOLNJ-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB C#CCN(Cc1ccc(F)cc1)C(=O)c1csc(C)n1 65767688 MQBNHRSIPPKJCX-UHFFFAOYSA-N 288.347 2.866 30 40 CFEB C=CCn1cc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc21 4688488 IAGSYVMVZCVKJZ-GXDHUFHOSA-N 295.342 2.740 30 40 CFEB N#Cc1ccc(C(=O)OCc2ccc(C(=O)O)cc2)c(F)c1 409203672 YEKZYPIQGVNPPA-UHFFFAOYSA-N 299.257 2.753 30 40 CFEB C(=N\Nc1ncnn1CCCc1ccccc1)\c1ccco1 227149955 ALXZBAVINQLZAS-PDGQHHTCSA-N 295.346 2.950 30 40 CFEB N#Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 196424196 PFVXYQPMMVODQS-UHFFFAOYSA-N 252.229 2.697 30 40 CFEB C/C(=N\OS(=O)(=O)c1ccc(C)cc1)c1ccncc1 90197400 GOBHWEKJWDUUQS-FOWTUZBSSA-N 290.344 2.520 30 40 CFEB C[C@H](c1ccccc1F)S(=O)(=O)CCCC#N 97097904 FDRCNMBMWRNQHW-SNVBAGLBSA-N 255.314 2.605 30 40 CFEB O=C1C=C(c2ccccc2)C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 96306240 FBCSKRIOXNULOU-KOZAUXTDSA-N 250.297 2.660 30 40 CFEB CCCNc1nn(-c2ccc(C)c(C)c2)nc1C#N 256048752 VYGXTDVYWGFUGM-UHFFFAOYSA-N 255.325 2.578 30 40 CFEB ON=Cc1cc(Br)c(O)c(Br)c1 255004231 UVKQTDFYDUQTKK-UHFFFAOYSA-N 294.930 2.725 30 40 CFEB C#CCN(C(=O)NCC(F)(F)F)[C@H]1CCc2ccccc21 69451783 NJGOMDSTFRJBOU-ZDUSSCGKSA-N 296.292 2.881 30 40 CFEB CC(=O)COCCC(F)(C(F)(F)F)C(F)(F)F 1083807071 YFATUKNMSSAKNO-UHFFFAOYSA-N 270.144 2.815 30 40 CFEB Cc1ccc(C/N=C/c2c(CO)cnc(C)c2O)cc1 5110720 QLRZPNXYBHTPRO-RQZCQDPDSA-N 270.332 2.515 30 40 CFEB CC(=O)c1cccc(/N=C2/C(=O)Nc3ccccc32)c1 13615683 LJSIXRHTMWBIGE-UHFFFAOYSA-N 264.284 2.962 30 40 CFEB N#CC1(C(=O)N2C[C@@H]3CC[C@H](C2)C3(F)F)CCCC1 1565545008 BOSGCYHKGUGMBN-PHIMTYICSA-N 268.307 2.574 30 40 CFEB C[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)cc1 46046997 HHABOAHEXIBSAJ-GFCCVEGCSA-N 257.337 2.642 30 40 CFEB COc1ccc(-c2nnc(S[C@H](C)C#N)o2)cc1 2659089 WZCMVYAQMLQSQC-MRVPVSSYSA-N 261.306 2.749 30 40 CFEB C=CCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc21 547344 GYIFFDWQCVWSOY-UHFFFAOYSA-N 293.269 2.642 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 22475075 HULCWSVXNOWBHW-UHFFFAOYSA-N 293.294 2.747 30 40 CFEB C/C(=N\OC(=O)c1ccccc1F)c1nccs1 12350754 QCDCIOIHSPGEJE-OVCLIPMQSA-N 264.281 2.863 30 40 CFEB CC(C)NC(=O)[C@H](C#N)C(=O)CCc1cc(Cl)cs1 102743783 ISAHNIOTZAYOLY-LLVKDONJSA-N 298.795 2.568 30 40 CFEB COc1ccc([N+](=O)[O-])cc1N/C=C\C(=O)C(F)(F)F 105920725 BIDAHHILBZYNLL-PLNGDYQASA-N 290.197 2.660 30 40 CFEB CC(=O)c1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 3376868 UPZOJDYPOCGLQT-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB N/C(=N\OC(=O)c1cccs1)c1ccc(Cl)cc1 4200246 FEZMNZAMHCKNQD-UHFFFAOYSA-N 280.736 2.879 30 40 CFEB CN(C(=O)c1ncccc1C(F)(F)F)C1(C#N)CCC1 96005829 FYCBAXOGPLRERK-UHFFFAOYSA-N 283.253 2.619 30 40 CFEB C=CCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8296823 MEVHYDVSTUGSHH-UHFFFAOYSA-N 285.372 2.927 30 40 CFEB CCC(CC)n1nc(Nc2nccnc2C#N)cc1C 96494566 BRWRQIDHCVSSLK-UHFFFAOYSA-N 270.340 2.958 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(N)cc2Cl)o1 73640333 CQTNIAJCDFOTMY-UHFFFAOYSA-N 275.691 2.972 30 40 CFEB CC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C 95952467 ZSJQDTMUFJVQPE-UHFFFAOYSA-N 274.301 2.976 30 40 CFEB N#Cc1cccc(CNc2ccc(F)cc2OCCO)c1 96453462 FJBGDLUKUKYTGC-UHFFFAOYSA-N 286.306 2.681 30 40 CFEB CC[C@@](C)(CC(=O)OC)NCc1ccc(F)c(C#N)c1 96473769 RINFWQIOONOPBP-HNNXBMFYSA-N 278.327 2.519 30 40 CFEB CCn1cnnc1CNc1ccc(C(F)(F)F)c(C#N)c1 97102084 YBVURPNXJBXLHE-UHFFFAOYSA-N 295.268 2.801 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1 50030291 RTZYRIWLYFGRMH-UHFFFAOYSA-N 295.386 2.760 30 40 CFEB O/N=C\c1cc(Br)c(O)c(Br)c1 100303515 UVKQTDFYDUQTKK-KMKOMSMNSA-N 294.930 2.725 30 40 CFEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(F)cc1 18219414 RANCKKDYFVPFGY-VFZGTOFNSA-N 298.321 2.685 30 40 CFEB COc1cc(C)c(/C=N/n2cnnc2)cc1C(C)C 209619207 LIBXLNXJAOMSQO-REZTVBANSA-N 258.325 2.601 30 40 CFEB C/C(=N\OC(=O)CCc1ccccc1)c1ccccn1 4475001 LYJYABOPPGEVHD-QGOAFFKASA-N 268.316 2.982 30 40 CFEB CCCCOCCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1 1733608 SKVYPMPWHFKHCS-HOCLYGCPSA-N 278.348 2.661 30 40 CFEB C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccc(C#N)c1 104224895 MYYGJCNOYOREDY-GVAFMPQTSA-N 266.344 2.948 30 40 CFEB C=CCOC(=O)c1cnc2nc3ccccc3n2c1C 20635362 CJXUFTZTMWDTTK-UHFFFAOYSA-N 267.288 2.534 30 40 CFEB CC(C)=CCN1CCN(Cc2ccc(C#N)cc2)CC1 39990612 KUMFGTBDYKFLLA-UHFFFAOYSA-N 269.392 2.642 30 40 CFEB O=C(O)c1ccc(N/N=C/c2ccc(O)cc2)cc1 5513112 UKHLQPNUTVHWTM-OQLLNIDSSA-N 256.261 2.536 30 40 CFEB COCCn1c(S[C@@H](C)C#N)nc2ccccc21 6609844 YJJZFBOPMCSVRH-JTQLQIEISA-N 261.350 2.687 30 40 CFEB N#CCCN(C(=S)NC(=O)c1ccco1)c1ccccc1 5657708 LDBMOUYMZDXISQ-UHFFFAOYSA-N 299.355 2.715 30 40 CFEB COC[C@H](C)/N=C(\N)SCc1cc(C)ccc1C 7665776 PZANSMKSCCBWFS-LBPRGKRZSA-N 266.410 2.886 30 40 CFEB C=CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 97212405 TYCPCMIHTNTUAD-UHFFFAOYSA-N 297.236 2.671 30 40 CFEB CC(C)C[C@H](NS(=O)(=O)CCCC#N)C(C)(C)C 84456892 XGLKBJNWACHEAR-LBPRGKRZSA-N 274.430 2.670 30 40 CFEB C/N=C(/NCCC1=CCOCC1)N1CC[C@@H](CC(C)C)C1 95974180 WFMXNMGOKWJROU-INIZCTEOSA-N 293.455 2.667 30 40 CFEB CCc1nnc(S)n1/N=C/c1c(C)n(C)c2ccccc12 408851062 VLMBZJTWQPMKOB-CXUHLZMHSA-N 299.403 2.812 30 40 CFEB CN(Cc1cccc(O)c1)C(=O)c1ccc(C#N)cc1 48736008 MJXBIHGMZNCOOU-UHFFFAOYSA-N 266.300 2.536 30 40 CFEB Fc1cccc([C@H](OC[C@H]2CO2)C(F)(F)F)c1 95095919 SGBBFBKDHSSXGN-ZJUUUORDSA-N 250.191 2.845 30 40 CFEB C=CCSc1nnc(NC(=O)c2ccoc2)s1 9952471 AVLXGFKPVOWANC-UHFFFAOYSA-N 267.335 2.662 30 40 CFEB CCOC(=O)[C@@H](C#N)c1ccc(Br)cc1F 1776010873 VKNHGXJAFLWNPL-VIFPVBQESA-N 286.100 2.758 30 40 CFEB CCOc1ccccc1/C=N/n1c(C)cc(C)c(C#N)c1=O 75907 QWTCBSSKVRETJQ-YBFXNURJSA-N 295.342 2.618 30 40 CFEB Br/N=C1/C=CC=C/C1=N/Br 104224518 PMAHLJUGWPVBOX-OZDSWYPASA-N 263.920 2.614 30 40 CFEB C#CCOc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 89904844 GZRAUPKEYFQKSE-BBRMVZONSA-N 259.349 2.528 30 40 CFEB C[C@H](C#N)CN(C)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107313625 QAWFJGUUMFCWMJ-RFGFWPKPSA-N 263.385 2.614 30 40 CFEB CCNC(=S)N/N=C/c1ccc(Cl)c(Cl)c1 3308097 RHAVHTSDYUVFPK-MKMNVTDBSA-N 276.192 2.811 30 40 CFEB C[C@@H](CC#N)NC(=O)c1c(Cl)c2ccccc2n1C 64318145 JZEADYRJNQPVAO-VIFPVBQESA-N 275.739 2.864 30 40 CFEB N#CCSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14173853 UBNFLSQROUTYPD-ZZXKWVIFSA-N 260.297 2.730 30 40 CFEB CN(CC#N)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 96414362 RRUPHKSYBFYBEF-UHFFFAOYSA-N 290.326 2.897 30 40 CFEB N#Cc1ccc(CNC(=O)N2C[C@H]3CC=CC[C@H]3C2)c(F)c1 74128187 WHEALJLKYKRDIX-GASCZTMLSA-N 299.349 2.805 30 40 CFEB CCOc1cc(/C=N/c2c(C)n[nH]c2C)ccc1O 408973901 CHPJJADWNYRYRH-OVCLIPMQSA-N 259.309 2.881 30 40 CFEB C=CCN1CC[C@]2(CCCN(Cc3ccsc3)C2)C1=O 96224090 UVXYMTZPVOUDRJ-INIZCTEOSA-N 290.432 2.749 30 40 CFEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCOCC1 96346537 QFDQBGDJUXOQFL-ZIAGYGMSSA-N 295.342 2.654 30 40 CFEB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccc2c(c1)CCO2 95096067 XSAUZBCJORFOSV-PWSUYJOCSA-N 274.238 2.640 30 40 CFEB C#CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 58432088 XNPDZVPIYHQGRU-AWEZNQCLSA-N 267.332 2.897 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCCOc2ccc(C#N)cc2)c1 69571678 CEKSPMKEHHBEHK-CABCVRRESA-N 298.390 2.681 30 40 CFEB C=C(Cl)CN1CCN([C@H](C)c2cccnc2)CC1 96424731 XEBCLVKONRUKEE-CYBMUJFWSA-N 265.788 2.513 30 40 CFEB Nc1ccc(Cl)c[n+]1/C=C/C(=O)c1ccc(F)cc1 5894079 STNQFCAYXBFJJL-BQYQJAHWSA-O 277.706 2.702 30 40 CFEB O=S(=O)(/N=C(\O)CCc1ccccc1)c1ccccc1 1613246 OXDPYOBJCCTYAF-UHFFFAOYSA-N 289.356 2.965 30 40 CFEB C=CCN/C(S)=N/N=C\c1ccc(Br)cc1 5453625 YSHKMLXZRKPURT-ZSOIEALJSA-N 298.209 2.844 30 40 CFEB N#CCCOCCOC(=O)Nc1cccc(Cl)c1 1688930 KJCUVDVCHKWONW-UHFFFAOYSA-N 268.700 2.819 30 40 CFEB COc1ccc2c3c1OCC[C@]3(C#N)[C@@H](CC#N)CC2 1721258 NETUQGWBXTYMBR-WBMJQRKESA-N 268.316 2.715 30 40 CFEB Cc1csc(N/C=C2\C(=O)Oc3ccccc3C2=O)n1 100835203 GYFYIEYONZNUCW-POHAHGRESA-N 286.312 2.549 30 40 CFEB Cc1nn(Cc2ccc(F)cc2Cl)c(=O)c(C#N)c1C 12775880 WVRSIJBZDZRNIG-UHFFFAOYSA-N 291.713 2.573 30 40 CFEB CCCCCCCCn1nc(N2CCOCC2)sc1=N 3764781 NMMJXXCQZMNZQY-UHFFFAOYSA-N 298.456 2.621 30 40 CFEB COc1ccccc1SCC(=O)N[C@@](C)(C#N)C(C)C 49372893 KGELDFQFHBEMDZ-HNNXBMFYSA-N 292.404 2.842 30 40 CFEB O=C1CSC(=S)N1/N=C\c1cccc(Cl)c1 409334139 UKDPYZZYHDLKGO-XGICHPGQSA-N 270.766 2.534 30 40 CFEB COc1ccc(/C(O)=N/OC(=O)/C=C/c2ccco2)cc1 6657967 PVGUTCIELDLNOI-CMDGGOBGSA-N 287.271 2.764 30 40 CFEB N#CC1(C(=O)Nc2cccc3[nH]cnc23)CCCCC1 72288813 KSCBZCOCEBEUNF-UHFFFAOYSA-N 268.320 2.975 30 40 CFEB COCCOCCCCNc1cc(C#N)c2ccccc2n1 72290365 OIPJAVXYSKXBTC-UHFFFAOYSA-N 299.374 2.962 30 40 CFEB N#Cc1cc(N[C@@H]2CCCSC2)ccc1[N+](=O)[O-] 97145019 COYIZEFBVKFRSC-LLVKDONJSA-N 263.322 2.774 30 40 CFEB C=CCn1c(C#N)cc(N)c1Oc1ccc2c(c1)OCO2 225886245 CKUNUJQYOKFVIN-UHFFFAOYSA-N 283.287 2.649 30 40 CFEB COc1cc(C#N)cc(Cl)c1O[C@@H]1CCCC[C@H]1O 193098295 QYEUTSJJUOBMMR-VXGBXAGGSA-N 281.739 2.903 30 40 CFEB CC(=O)Oc1ccc2cc([N+](=O)[O-])ccc2c1C#N 40546212 YBOWYRQGCFNCDX-UHFFFAOYSA-N 256.217 2.545 30 40 CFEB C=CC1CCN(Cc2ccc([S@](C)=O)cc2)CC1 93359324 LLGCKKTZGHEJKH-GOSISDBHSA-N 263.406 2.822 30 40 CFEB CCO[C@H](C)OCC#Cc1cc(F)c(F)c(F)c1 95632733 QEEQEMZVMOJKHB-VIFPVBQESA-N 258.239 2.855 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc(N)cc2)C(=O)C1 100715449 JVVAOQXZJIIDSY-UHFFFAOYSA-N 258.321 2.523 30 40 CFEB N#Cc1cc(F)ccc1CN1CCCC[C@@H]1Cn1cccn1 69770302 IOMPYTYCRAEKII-QGZVFWFLSA-N 298.365 2.949 30 40 CFEB CCOc1ccccc1/C=C1\CCc2[nH]c(=O)ccc2C1=O 98052989 PZGMUVYYYWHWEE-ACCUITESSA-N 295.338 2.986 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 485270 HXDBEVLWHUIGRV-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB CCOC(=O)/C(=C\c1ccc(Br)cc1)C(C)=O 5723029 XKZMBCNYDBPYID-WQLSENKSSA-N 297.148 2.985 30 40 CFEB S=C(NCCc1ccccc1)N/N=C1/C[C@H]2CC=C[C@H]12 33777713 ZCCMBAOBDVBZME-NWNZURPUSA-N 285.416 2.645 30 40 CFEB C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 248396818 QPYPWNQMZWPQOC-RDTXWAMCSA-N 295.386 2.761 30 40 CFEB CC(C)C[C@H](N)B1O[C@H]2C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O1 250682253 YYXCDWMJTBCHJW-HYFYGGESSA-N 265.206 2.627 30 40 CFEB in-vitro N#Cc1cc(O[C@H]2CCSC2)nc2ccccc12 585650644 CYBMJLZYCTULIA-NSHDSACASA-N 256.330 2.991 30 40 CFEB CC1(C)CC(=O)C(=NNc2ccc(F)cc2)C(=O)C1 68712 NPPANXDWWSDVKI-UHFFFAOYSA-N 262.284 2.552 30 40 CFEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCCC1 542129 ZHWQCHYELLCGPN-UHFFFAOYSA-N 284.275 2.722 30 40 CFEB Cn1ccnc1[C@H](Nc1ncccc1C#N)c1ccccc1 12579224 DUZIDOCQPYHFOI-OAHLLOKOSA-N 289.342 2.888 30 40 CFEB CC[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 6542197 ODFSAIAJMKSMGR-HNNXBMFYSA-N 271.364 2.761 30 40 CFEB CN(CCc1ccncc1)Cc1ccc(F)c(C#N)c1 97051119 XVYYVPMOPMGZOI-UHFFFAOYSA-N 269.323 2.767 30 40 CFEB N#CCSc1nnc(NCc2ccc(F)cc2)s1 9503445 OUDSBBAYSPUYEF-UHFFFAOYSA-N 280.353 2.905 30 40 CFEB CC#CCSc1nnc(NCc2ccco2)s1 95961141 ZDGISKXZDZIVFX-UHFFFAOYSA-N 265.363 2.859 30 40 CFEB CCOc1ccc(/N=C2/SCC(=O)N2CC)cc1 61953918 XLVRVQDDVARTKF-BUHFOSPRSA-N 264.350 2.668 30 40 CFEB N#Cc1c(N)nc(Cl)c(C#N)c1-c1cccc([N+](=O)[O-])c1 66088219 UBLQCNBTEFYDFD-UHFFFAOYSA-N 299.677 2.636 30 40 CFEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCOCC1 96346535 QFDQBGDJUXOQFL-KGLIPLIRSA-N 295.342 2.654 30 40 CFEB N#Cc1ccc(N[C@@H]2CCO[C@@H]2c2ccccc2)nc1 96447455 IQOQQDDYIVSLKW-GDBMZVCRSA-N 265.316 2.895 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)[C@@H]1CCCC1=O 255187277 CLUBVWUCTRHYSC-VJCPFXPRSA-N 256.309 2.720 30 40 CFEB O=C(O)C(C(=O)/C=C/c1ccco1)=C1SCCS1 96801 HKHAYBJVVCMCFI-ONEGZZNKSA-N 282.342 2.638 30 40 CFEB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C]1CO1 1560411745 ORGDJWVNZLSACS-LBPRGKRZSA-N 262.329 2.685 30 40 CFEB COc1cccc(/C=C2/CC[C@@H](CN(C)C)C2=O)c1 1625852 QXCONXOZKDRDML-XXYUJHKVSA-N 259.349 2.619 30 40 CFEB O=C1c2ccccc2/C(=N\c2ccccc2)[C@@H]1[N+](=O)[O-] 5515341 XDAYNRFHAYNJMV-BXWAGETQSA-N 266.256 2.649 30 40 CFEB CN(Cc1ccc(C#N)cc1)Cc1noc(C(C)(C)C)n1 46054178 HYNWTLKOLSNRPY-UHFFFAOYSA-N 284.363 2.871 30 40 CFEB N#CCNC(=O)c1cc2c(s1)-c1ccccc1CC2 60332147 IRZJBXHJKQVPFQ-UHFFFAOYSA-N 268.341 2.767 30 40 CFEB C=C[C@H]1C(=O)N(C)[C@@H](C(C)(C)C)N1C(=O)c1ccccc1 1612720 QJCXEWZNLZBCNT-XJKSGUPXSA-N 286.375 2.528 30 40 CFEB C=CCCCCCCCC[C@@]1(C)NC(=O)NC1=O 4768961 PBCLBMFVAOPKGC-CQSZACIVSA-N 252.358 2.891 30 40 CFEB O=[N+]([O-])c1cccc(/N=C/c2ccc(O)c(O)c2)c1 561346 FXNDICDJLSNFNO-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB COc1ccc(/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 22521223 CAYYJJUANPKZHB-UHFFFAOYSA-N 271.276 2.640 30 40 CFEB COc1ccc(Br)cc1/C=C1/C(=O)ON=C1C 103858700 WAFBFUBZQGTIBC-UXBLZVDNSA-N 296.120 2.774 30 40 CFEB N#CC1(C#N)[C@@H]2C=C3CCCC[C@@]3(CC2)C1(C#N)C#N 101048430 BGFVLADGRSOMNS-KBPBESRZSA-N 262.316 2.964 30 40 CFEB C=CCn1c(N)nnc1SCc1csc(CCC)n1 26131948 KBCUGBRBOCYNAJ-UHFFFAOYSA-N 295.437 2.748 30 40 CFEB C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58264070 BKOKFTLCVOIRJW-VIFPVBQESA-N 298.795 2.631 30 40 CFEB C=CCNC(=O)CSCc1ccc(Cl)s1 36396254 NHZKGUUDGFYRAW-UHFFFAOYSA-N 261.799 2.937 30 40 CFEB CC(C)c1nnc(/N=C(\O)OCC(F)(F)F)s1 38342117 RDKQPUHQWIANES-UHFFFAOYSA-N 269.248 2.786 30 40 CFEB in-vitro N#Cc1cccc(NC(=O)CN2CCc3ccccc32)c1 6820997 WSRDFRSWQBLYFD-UHFFFAOYSA-N 277.327 2.559 30 40 CFEB C=C(C)CNC1=NN=C(c2c(F)cccc2F)CS1 8982265 WNZAIJVZNHSDDF-UHFFFAOYSA-N 281.331 2.937 30 40 CFEB Sc1nnc(-c2ccccn2)n1/N=C/c1ccccc1 8995287 GALNGBXIGPDSLA-MHWRWJLKSA-N 281.344 2.511 30 40 CFEB Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)n1 71889074 BEZMBWAJMITGRK-AWEZNQCLSA-N 269.279 2.524 30 40 CFEB C=CCNC(=O)Nc1cc2sc(C)nc2cc1OC 72085702 JLAKDPCNFIDWDH-UHFFFAOYSA-N 277.349 2.921 30 40 CFEB CC(C)Oc1ccc(C#N)cc1NCc1cc[nH]n1 97235444 DHHYBCWYJXYLCN-UHFFFAOYSA-N 256.309 2.681 30 40 CFEB Cc1ccc(I)c(OCC#N)c1 78989915 NLWMYWUEBBBHBR-UHFFFAOYSA-N 273.073 2.502 30 40 CFEB C=CCOC(=O)c1cc(N)ccc1N1CCC(C)CC1 226278767 AQXRPMPIIFOCFY-UHFFFAOYSA-N 274.364 2.848 30 40 CFEB CC(C)(C#N)C(=O)NCCc1c[nH]c2cc(F)ccc12 50765873 ARJVRPOZOWVCTE-UHFFFAOYSA-N 273.311 2.515 30 40 CFEB C=CCN1C(=O)N=C(O)/C(=C/C=C/Nc2ccccc2)C1=O 20023934 QRTMCECGDOUPPM-ONRCZQTBSA-N 297.314 2.643 30 40 CFEB N#Cc1ccccc1CO/N=C(\N)c1ccc(F)cc1 29464458 KHVAZQKNJDIKGP-UHFFFAOYSA-N 269.279 2.534 30 40 CFEB O=C1C=C(Cl)C(=O)C(c2ccc(Cl)cc2)=C1 1556460 MNGDMRAWWJWYRE-UHFFFAOYSA-N 253.084 2.998 30 40 CFEB COc1ccc([C@@H]2CC=C[C@H](OC)C2(C#N)C#N)cc1 340825 CHYXEGYOWCRWJX-GJZGRUSLSA-N 268.316 2.787 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NCCCNc1ccccn1 47405176 JGBZNLJIGQPMEQ-UHFFFAOYSA-N 297.318 2.776 30 40 CFEB C=CCNc1ccc(C(=O)N2CCSCC2)cc1C 84093463 XREDPGVICVHJID-UHFFFAOYSA-N 276.405 2.782 30 40 CFEB CCN(CCC#N)Cn1nc(C#N)c2cc(Cl)ccc21 69921376 STOMSZTWYHFLOC-UHFFFAOYSA-N 287.754 2.754 30 40 CFEB CC(=O)CC[C@H](C1=C[C@@](C)(O)CCC1=O)C(C)C 14508555 ZOEYQETWCHEROV-WFASDCNBSA-N 252.354 2.668 30 40 CFEB biogenic CC[C@H](C#N)NC(=O)C[C@H]1CCCc2ccccc21 71888273 QJELLYUZKDAGQO-ZIAGYGMSSA-N 256.349 2.915 30 40 CFEB N#Cc1ccc(N[C@@H]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 84340814 QVGAYUQWMFDPAI-CHWSQXEVSA-N 289.335 2.820 30 40 CFEB COC[C@@](C)(C#N)NC(=O)/C(C)=C/c1ccc(Cl)cc1 95443320 ZPQBCZTUTZJFJK-KUCQQTCKSA-N 292.766 2.788 30 40 CFEB CC(C)[C@H](C)SCC(=O)N[C@@](C)(C#N)C1CC1 79082505 BZZQSTRTGJQOKC-GWCFXTLKSA-N 254.399 2.573 30 40 CFEB C[C@@H](C#N)N1CCC(CCN2CCCC[C@@H]2C)CC1 182019319 OJGVELPMILJLAX-GJZGRUSLSA-N 263.429 2.875 30 40 CFEB N#Cc1c(-c2cccc(Br)c2)noc1N 84162710 AKXRSRREKDYAMN-UHFFFAOYSA-N 264.082 2.558 30 40 CFEB CCCCN1C(=O)/C(=N\O)c2ccc(Cl)cc21 46084641 SPDBDTVWKBVPML-KAMYIIQDSA-N 252.701 2.665 30 40 CFEB CC(C)Cc1nn(Cc2cccc(F)c2)c(N)c1C#N 225841653 SIDZVVTVLDIVIL-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB CO[C@@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1(C)C 332061412 YBPAGOBCYINCEH-ZWUHOBOKSA-N 293.411 2.524 30 40 CFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@H]1C[C@H](O)C2 254306206 GOHJOBOSPPHNQS-DWMDIXPDSA-N 290.403 2.604 30 40 CFEB N#Cc1ccc(N2CCO[C@@H](c3cccs3)C2)cn1 97227823 MFXPKDJDRIPQPS-CYBMUJFWSA-N 271.345 2.593 30 40 CFEB CC/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1 5295036 XDQDZXNISIVDCT-NXVVXOECSA-N 288.372 2.779 30 40 CFEB CC(/C=N\N1C(=O)CSC1=S)=C\c1ccccc1 12732620 IAMIWRZQJRNCKX-OGBNRGGWSA-N 276.386 2.936 30 40 CFEB C(=N\OCc1ccccc1)\c1ncccc1C1OCCO1 17213287 LLFWRPKMXCBPGE-WQRHYEAKSA-N 284.315 2.678 30 40 CFEB C=C(C)CNC(=O)Nc1cc(F)c(OC)c(F)c1 156749179 KGIKJTJAERZLKL-UHFFFAOYSA-N 256.252 2.671 30 40 CFEB C[C@@H](CN(C)c1ccc(C(F)(F)F)cc1C#N)C(=O)O 42704320 NHJNKVXAXWIPRF-QMMMGPOBSA-N 286.253 2.734 30 40 CFEB CC/C(=N/N=C1\NC(=O)[C@H](CC)S1)c1ccccc1 59484590 AGGVHSMVBZIUSD-IEMQHYRPSA-N 275.377 2.798 30 40 CFEB CCOC(=O)c1cc(C2CC2)nc(SC)c1C#N 25045020 NLTKAUUKEYPNTO-UHFFFAOYSA-N 262.334 2.729 30 40 CFEB COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@H](C2)[N+](C)=C/C3=N\O 103837138 PMTMKAHKRSSPAZ-UWWQBHOKSA-O 299.394 2.605 30 40 CFEB Cc1ccc(CNC(=O)COc2ccccc2C#N)cc1 3221840 NEULATFLSINQMS-UHFFFAOYSA-N 280.327 2.562 30 40 CFEB N#C[C@H]1SC2=C(S[C@@H]1C#N)C(=O)c1ccccc1C2=O 35954010 CEPFNUJADGSEQU-NXEZZACHSA-N 298.348 2.542 30 40 CFEB Cc1ccc(O)c(/N=C2\C(=O)Nc3ccccc32)c1 13590257 HMEDYWCBZCUDSM-UHFFFAOYSA-N 252.273 2.774 30 40 CFEB CCC(C)(C)NC(=O)COc1ccc(C#N)cc1C 65566284 BBJIGSTYWJRUEN-UHFFFAOYSA-N 260.337 2.550 30 40 CFEB Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc(O)cc1 6526088 RMXLVBGAJLITFE-CMDGGOBGSA-N 256.305 2.639 30 40 CFEB CC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O 6672272 MFPXEXKEGJSSGQ-NVNXTCNLSA-N 295.294 2.932 30 40 CFEB N#Cc1cccc(OCc2cccc(C(=O)O)c2)c1 19434922 ULOWGXBBARFUKC-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB N#Cc1ccsc1NC(=O)CC1(C(=O)O)CCCC1 16482464 VEFUWNDQPZPILI-UHFFFAOYSA-N 278.333 2.593 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2)c([N+](=O)[O-])c1 31601762 DZPRPFUXOZTWAJ-ZROIWOOFSA-N 286.247 2.949 30 40 CFEB N#Cc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 408965248 UZPHENMRFVBXKE-CXUHLZMHSA-N 267.244 2.923 30 40 CFEB COc1ccccc1COc1nn(C(C)C)c(N)c1C#N 225831695 BAYFASPFODXQMM-UHFFFAOYSA-N 286.335 2.505 30 40 CFEB Cc1cc(-n2nc(C)c(C#N)c2N)c(Cl)cc1F 604941571 GLKOUTDYCSZUBU-UHFFFAOYSA-N 264.691 2.736 30 40 CFEB CCOCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 66396464 YJHGKDGALLQJIV-AWEZNQCLSA-N 274.364 2.701 30 40 CFEB CC(/C=C/c1ccccc1)=N\Nc1nnc(S)[nH]1 5895909 MOLRGHSEWGUZHE-HTEJKWGNSA-N 259.338 2.595 30 40 CFEB COC(=O)c1c(C)[nH]c(/C=N/c2cccnc2)c1C 13510008 AZVLTBLQCCFKRP-LZYBPNLTSA-N 257.293 2.564 30 40 CFEB CN(/N=C/c1ccc2ccccc2c1)C1=NCCCCN1 1645638 DVRZWFOEJOQPHX-DEDYPNTBSA-N 280.375 2.845 30 40 CFEB N#Cc1ncn(Cc2csc(C3CCCC3)n2)c1C#N 126004105 MRQJOSNEBWFXIN-UHFFFAOYSA-N 283.360 2.789 30 40 CFEB C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(C#N)cc1 30264560 HZNCIDUEOLTQMO-MYSGNRETSA-N 291.354 2.976 30 40 CFEB CCOC1(NC(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C 4263323 XQMDZBOBBHMUPQ-UHFFFAOYSA-N 299.370 2.933 30 40 CFEB COc1ccc2c(c1C)CC[C@@]1(CO)C(C(C)=O)=CC[C@H]21 1560139 LPRQRIGFEPDRET-SJLPKXTDSA-N 286.371 2.931 30 40 CFEB N#Cc1cccc(S(=O)(=O)N(C2CCCC2)C2CC2)c1 24687105 JUWPNXNMPPKNFR-UHFFFAOYSA-N 290.388 2.654 30 40 CFEB C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC#N 107240016 APAKAHYDMCQKBN-QMMMGPOBSA-N 271.147 2.812 30 40 CFEB C=CCOc1ccc(CN[C@H](CCSC)C(=O)O)cc1 62717938 AERDTQNZHYEKMD-CQSZACIVSA-N 295.404 2.547 30 40 CFEB N#Cc1ccccc1COC(=O)c1n[nH]c2ccccc12 6506713 OAHDMRVNEMDNLC-UHFFFAOYSA-N 277.283 2.792 30 40 CFEB O=C1CCCC2=C1C(c1ccccn1)C1=C(CCCC1=O)N2 19596598 JSRJHDLQOJKRDD-UHFFFAOYSA-N 294.354 2.783 30 40 CFEB C[C@@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(C#N)cc1 7937997 FDRZQCDTEYNMBQ-CHWSQXEVSA-N 298.342 2.785 30 40 CFEB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc(C#N)c1)C2=O 9579152 SQHUDPPVDPSCTB-SJCJKPOMSA-N 297.358 2.559 30 40 CFEB N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@@H]1C(N)=O 95429701 HDBXOHZDODJCNU-CMPLNLGQSA-N 297.280 2.643 30 40 CFEB Cc1ccsc1/C=N/Nc1ncccc1[N+](=O)[O-] 409099523 TYNMXNFILLHKCQ-NTUHNPAUSA-N 262.294 2.806 30 40 CFEB N/N=C1/C[C@@H](C(=O)O)[C@H]2c3ccccc3-c3cccc1c32 217613857 UJTAOKCPHZWBHD-VRJMPRGFSA-N 278.311 2.566 30 40 CFEB C=CCNC(=S)Nc1cc(C(=O)OCC)ccc1C 225277075 HZGTZIJTQGYDFD-UHFFFAOYSA-N 278.377 2.644 30 40 CFEB C=CCCN(c1ccc(Cl)cc1F)S(C)(=O)=O 96419518 UTOYVHKRDSYNFY-UHFFFAOYSA-N 277.748 2.821 30 40 CFEB COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1 308 STTRYQAGHGJXJJ-LICLKQGHSA-N 292.335 2.836 30 40 CFEB in-man C=CCN(CC=C)C(=O)COC(=O)c1cc2ccccc2[nH]1 5530611 AAXJYUXVSSXMRR-UHFFFAOYSA-N 298.342 2.525 30 40 CFEB C=CCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccccc1 15244291 AOLKUDJQSSJTLE-UHFFFAOYSA-O 297.403 2.689 30 40 CFEB CC(C)(CO)/N=C/c1cc(Cl)cc(Cl)c1O 18188245 JYHCRFQXADYFFS-LHHJGKSTSA-N 262.136 2.889 30 40 CFEB N#Cc1ccsc1NC(=O)c1ccc2c(c1)OCCO2 4330573 XQAOTUMHCULUOP-UHFFFAOYSA-N 286.312 2.643 30 40 CFEB CCCCCCCC(=O)NCCCn1ccnc1 102369546 JNLMHXFIDJLWMA-UHFFFAOYSA-N 251.374 2.750 30 40 CFEB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2 4824891 VWPNXOAXLXWARP-JJRVBVJISA-N 274.384 2.732 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 4975628 HZCOEAIFIFURAN-UXXRCYHCSA-N 262.349 2.723 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1cccc2ccccc12 100010687 ZNYOJTIECJTBMJ-ZROIWOOFSA-N 256.257 2.637 30 40 CFEB COC[C@@H](C)/N=C(\N)SCc1cc(C)ccc1C 7665777 PZANSMKSCCBWFS-GFCCVEGCSA-N 266.410 2.886 30 40 CFEB C=CCNC(=O)Nc1cc(OC)ccc1OC(C)C 71883765 OOMLFVPBAUKLRS-UHFFFAOYSA-N 264.325 2.790 30 40 CFEB C=C(C)CN(CC)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 74673364 DHOYVORKWUCNRL-GFCCVEGCSA-N 292.427 2.576 30 40 CFEB C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F 34343467 PRRFOECLEWBMDV-UHFFFAOYSA-N 268.128 2.939 30 40 CFEB C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@@H]21 35465459 GKMFOEIZCLMZDE-GVRJEKJASA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(C)C 224018571 RPMKQTJXBVWOQZ-UHFFFAOYSA-N 292.184 2.782 30 40 CFEB N#Cc1cc(N)c(N2CCCC2)n1Cc1cccc(F)c1 225864892 IFCJULPFOGWREA-UHFFFAOYSA-N 284.338 2.730 30 40 CFEB Cc1nccn1CCCNc1ccc(Cl)c(C#N)n1 96429578 UUWSJPJXLWQPFO-UHFFFAOYSA-N 275.743 2.614 30 40 CFEB C=C(C)CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 156231840 UZWVSAHJIUGGAX-UHFFFAOYSA-N 275.352 2.979 30 40 CFEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\c1ccc(F)cc1 5569344 BCUAEXSQLRASCF-UHFFFAOYSA-N 285.234 2.807 30 40 CFEB C=C(C)Cn1ccn(-c2ccc(C)c(Cl)c2)c(=O)c1=O 1888879577 LHGSGQNSRXUDPR-UHFFFAOYSA-N 290.750 2.537 30 40 CFEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc2oc(C)nc2c1 40135213 NCTWXWOQBPZCMU-OAHLLOKOSA-N 297.358 2.562 30 40 CFEB CC(C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 40221258 OPJWOVVMHJBHOY-UHFFFAOYSA-N 256.227 2.737 30 40 CFEB C=CCN(CC=C)C(=O)Nc1cccc(C(=O)NCC)c1 40526735 OATOLHLDKIMSHL-UHFFFAOYSA-N 287.363 2.642 30 40 CFEB CCN(CC)c1nc(C)c2c(c1C#N)CC(C)(C)OC2 20791960 JGUPXEZIAMMJMY-UHFFFAOYSA-N 273.380 2.959 30 40 CFEB N#Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 2651938 BVOQUUMQLFPWRV-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB CCOC(=O)CC/C(C)=N\N=C(\C)CCC(=O)OCC 8637788 UJBJVLSIXKNCDO-NFLUSIDLSA-N 284.356 2.510 30 40 CFEB Cc1nn(C)c(C)c1C(=O)Nc1sc(C)c(C)c1C#N 2781154 AAACJLUBEGCVGI-UHFFFAOYSA-N 288.376 2.839 30 40 CFEB O=[N+]([O-])c1ccc(COc2ccc(/C=N\O)cc2)cc1 100250136 UUGVPWMFZZWHIR-DHDCSXOGSA-N 272.260 2.982 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccccc1F 101502114 ZGSPFUMIMNRCQE-PKNBQFBNSA-N 283.258 2.923 30 40 CFEB CCOC(=O)c1nc(C)c(Br)c(C)c1C#N 43827594 MKISKUFLWWXQOE-UHFFFAOYSA-N 283.125 2.509 30 40 CFEB C/C(=N\NC(=S)NC1CC1)c1cc(C)c(C)cc1C 44062894 XOJDGRUUSVNAES-SFQUDFHCSA-N 275.421 2.962 30 40 CFEB C=C(C)Cn1c(CNC(=O)CC)nc2ccccc21 1927044 IWWDCSYIKXZRHB-UHFFFAOYSA-N 257.337 2.639 30 40 CFEB CC[C@H](C#N)NC(=O)c1cnc(OC(C)C)c(Cl)c1 69451973 GMHCJQHGTFEGOH-SNVBAGLBSA-N 281.743 2.554 30 40 CFEB C[C@H](CC#N)N(C)C(=O)CCC(=O)c1ccc(F)cc1F 69809427 LRSBNKYYNGDAKZ-SNVBAGLBSA-N 294.301 2.688 30 40 CFEB CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2C#N 261079882 ROHFCDCLKWGKFU-FOSCPWQOSA-N 250.342 2.793 30 40 CFEB CCCCCS(=O)(=O)Cc1ccc(C#N)cc1 58238950 WLXGSSUUEBRJJH-UHFFFAOYSA-N 251.351 2.663 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)Cn1cc(-c2ccccc2)cn1 69704734 FYJDPXSSVQKNDR-KRWDZBQOSA-N 296.374 2.605 30 40 CFEB CC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 69700563 OUNXDNQANPREGP-MISXGVKJSA-N 262.378 2.969 30 40 CFEB CC(C)(CNC(=O)C1(C#N)CCCC1)c1ccncc1 92508903 FTIOKZLSZXPKDD-UHFFFAOYSA-N 271.364 2.559 30 40 CFEB C/C(=C/C(=N\N=C(N)N)c1ccccc1)c1ccccc1 17324898 WKPRTJBTWLBDOQ-QKCLPKCGSA-N 278.359 2.768 30 40 CFEB O=C1/C(=C\c2ccc([N+](=O)[O-])o2)Oc2cc(O)ccc21 1714472 FVOJXUXJPGCVMX-IZZDOVSWSA-N 273.200 2.510 30 40 CFEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(N)=S)cc21 208206963 DXTUNGZOGFHYPS-VJCPFXPRSA-N 290.436 2.576 30 40 CFEB CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 268522 QREFKMJOPFCPHB-HNNXBMFYSA-N 297.310 2.764 30 40 CFEB C=CCNC(=O)CCCc1nc(-c2cccc(C)c2)no1 4433792 CEJDRTCLDVMUST-UHFFFAOYSA-N 285.347 2.670 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN2CCCC[C@H]12 47272563 RQKPNOYYEWOWLT-HUUCEWRRSA-N 286.335 2.505 30 40 CFEB CCCC(C#N)(CCC)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 107364307 GPFGGDSLUQDJRS-FRRDWIJNSA-N 264.369 2.533 30 40 CFEB COc1ccc(O)c(/C=N\c2ccccc2C(=O)O)c1 25666488 HUSPWKOXCCTBDN-SXGWCWSVSA-N 271.272 2.850 30 40 CFEB C=CCNc1ncnc2c1[nH]c1ccc(OC)cc12 2434806 XMHJWLAAZQJOHL-UHFFFAOYSA-N 254.293 2.718 30 40 CFEB O=C1/C(=C\c2csnn2)CCC/C1=C\c1csnn1 48314903 KYSVAYLVUWSEMS-MVTUOISNSA-N 290.373 2.610 30 40 CFEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 5161292 BDXBYVAGUFPKFN-ZSOIEALJSA-N 299.282 2.956 30 40 CFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCCCC1 7378185 BBMOZAQCDWUOOE-ZDUSSCGKSA-N 271.364 2.761 30 40 CFEB CCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(C#N)cs1 97011593 PKUZEFJFQOGRRS-ZDUSSCGKSA-N 289.404 2.773 30 40 CFEB N#Cc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 9338994 KMOPSIGJSUXXMF-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB CCOC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 9664771 MTHOZIDITGUPLW-ZETCQYMHSA-N 292.644 2.924 30 40 CFEB in-vitro Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(CC#N)C(C)C 89689230 ITZKFJKMBBZWTC-CABCVRRESA-N 256.349 2.859 30 40 CFEB CC/N=C1/S/C(=C/c2ccc(C#N)cc2)C(=O)N1CC 408929458 JTHLPKFZXAIIEZ-MLUUXWFWSA-N 285.372 2.870 30 40 CFEB C=CCNC(=O)Cc1csc(COc2ccccc2)n1 33326121 UZOHBHAIPVYLDP-UHFFFAOYSA-N 288.372 2.567 30 40 CFEB N#CCC1(COC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 96442772 BPDLLDKCESKLAM-UHFFFAOYSA-N 299.305 2.862 30 40 CFEB Cc1ccnc(NC(=O)/C=C/c2cccc(C#N)c2)c1 48782309 NQVMXPGINGWACY-AATRIKPKSA-N 263.300 2.914 30 40 CFEB N#CCSCC(=O)NCc1ccc(Cl)cc1Cl 32657994 MAMOJXRGGFXQQE-UHFFFAOYSA-N 289.187 2.866 30 40 CFEB Cc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)c(=O)o1 100132715 YNHXGRPTMCUEPR-QPJJXVBHSA-N 274.247 2.689 30 40 CFEB CCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1Cl 11692171 GIEKXWDOKOJNLE-SECBINFHSA-N 289.722 2.844 30 40 CFEB O=C1C(=Cc2cc(O)ccc2O)C(=O)c2ccccc21 2561758 XQQGGKTZSNMUKW-UHFFFAOYSA-N 266.252 2.560 30 40 CFEB N#Cc1cccc(S(=O)(=O)NCCCC2CCCC2)c1 32771283 RLRGXQZMTRJZFB-UHFFFAOYSA-N 292.404 2.807 30 40 CFEB Sc1nnc(-c2ccccn2)n1/N=C/c1cccs1 9332085 AOPIMGIEORMUDW-RIYZIHGNSA-N 287.373 2.573 30 40 CFEB Cc1ccc(OCCC(=O)N(CC#N)C2CC2)cc1C 58305196 ZLFDRZJTRCVSOG-UHFFFAOYSA-N 272.348 2.587 30 40 CFEB N#CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 36393858 ASMNKNFZZVHQDQ-GFCCVEGCSA-N 298.173 2.920 30 40 CFEB C=CCNC(=O)COc1ccc(OCc2ccccc2)cc1 3434520 QJNNWVDGKBTBBP-UHFFFAOYSA-N 297.354 2.947 30 40 CFEB Cc1ccc(C)c(CC(=O)N(C)C2(C#N)CCC2)c1 69484415 FQFZRLSWCOILMY-UHFFFAOYSA-N 256.349 2.751 30 40 CFEB N/C(=N\O)c1cc(-c2ccccc2OC(F)(F)F)ccn1 117575463 YOLHQWVZGLIEDN-UHFFFAOYSA-N 297.236 2.742 30 40 CFEB N#C[C@H](C(=O)C1CCCCC1)c1nnc2n1CCCCC2 65533704 JYYQTWINWSORMV-CYBMUJFWSA-N 286.379 2.761 30 40 CFEB C=C(C)CN(C)Cc1ccc(N2CCOCC2)cc1 65554258 RMAYRIZTCYSDTF-UHFFFAOYSA-N 260.381 2.531 30 40 CFEB O=S(=O)(CC1CC1)/N=C(\O)c1cccc(F)c1Cl 97010600 VGLIWIATHUMYLQ-UHFFFAOYSA-N 291.731 2.524 30 40 CFEB CCCCN(C)C(=O)CSc1ccc(Cl)c(C#N)n1 97142323 ATASJRHIQMLDEO-UHFFFAOYSA-N 297.811 2.957 30 40 CFEB C=CCN(CC=C)C(=O)CN(C)Cc1ccc(Cl)cc1 42977798 WSWLHZJKDMYOEV-UHFFFAOYSA-N 292.810 2.972 30 40 CFEB Cc1ccc(CNC(=O)/C=C/c2cccc(C#N)c2)n1C 79042702 NYPVWFGQOFYMRV-VQHVLOKHSA-N 279.343 2.535 30 40 CFEB C=CCN1C(=O)S/C(=C\Nc2ccccc2OC)C1=O 36636238 HOTHXDOKLQCYNA-XFXZXTDPSA-N 290.344 2.830 30 40 CFEB N#Cc1c(-n2cccc2CO)sc2c1CCCC2 223745435 YVPCNLAYRUMOGQ-UHFFFAOYSA-N 258.346 2.782 30 40 CFEB COC(=O)c1ccccc1N(C)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16188865 YYURIHLFLZKHSU-OHEIJGDYSA-N 288.347 2.538 30 40 CFEB Cc1ccc(C/C(O)=N/c2nc(C3CCC3)n[nH]2)cn1 97376644 LUGXEBVZIOPSOA-UHFFFAOYSA-N 271.324 2.606 30 40 CFEB Cc1ccc(C(=O)O/N=C/c2ccc3c(c2)OCO3)cc1 42299 JDUZLFMHZGAIJL-RQZCQDPDSA-N 283.283 2.915 30 40 CFEB O=C(c1ccccc1)[C@@H]1O[C@H]1C(=O)c1ccccc1 1671546 ADFLDJCSCJHDEY-HOTGVXAUSA-N 252.269 2.520 30 40 CFEB Cc1cccc(NC(=O)[C@@H](C#N)Cc2cccnc2)c1 420084 CCCHEXSJOFMHJF-CQSZACIVSA-N 265.316 2.711 30 40 CFEB C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1C/C(=N\O)[C@@H]2O 102884505 FYVXSFWTEDENGI-IUUOZFQDSA-N 299.370 2.969 30 40 CFEB COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1O 59639201 YTJZKKZVFINOBY-UHFFFAOYSA-N 280.279 2.863 30 40 CFEB C[C@H](Sc1ncc(C#N)c(N)n1)c1ccc(F)cc1 12557950 FCQZAZNPQLHNMM-QMMMGPOBSA-N 274.324 2.923 30 40 CFEB N#C[C@@H](C(=O)c1cccs1)c1nnc2n1CCCCC2 35426703 FINRFWNSQWKTGG-JTQLQIEISA-N 286.360 2.556 30 40 CFEB O/N=C1C(=N/O)\N(c2ccccc2)CCN\1c1ccccc1 104232236 VUEPGFXIACDTSV-YTEMWHBBSA-N 296.330 2.589 30 40 CFEB C=CCn1c(S)nnc1-c1cncc(Br)c1 13689574 GZBODTOCEUNHKV-UHFFFAOYSA-N 297.181 2.577 30 40 CFEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccccn1 5889323 ZQJWQOKJESUOJW-LICLKQGHSA-N 287.319 2.553 30 40 CFEB Cc1c(C(=O)Nc2ccccc2)sc(N)c1C#N 16989656 GYCMLVIJRXMKNW-UHFFFAOYSA-N 257.318 2.763 30 40 CFEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccs1 20638114 PHHDETKFLNKIQW-ZANVPECISA-N 294.339 2.779 30 40 CFEB N#Cc1cccnc1N[C@H]1CCOC2(CCCC2)C1 95425690 CBQGCPALVTWNHT-ZDUSSCGKSA-N 257.337 2.857 30 40 CFEB N#Cc1ccccc1COc1ccccc1/C=N/O 33596632 XTZMALHPOHHBCZ-LICLKQGHSA-N 252.273 2.945 30 40 CFEB CC(=O)ON(C(N)=O)[C@@H](C)c1cc2ccccc2s1 72434049 SOQHOAQNHIYGEE-QMMMGPOBSA-N 278.333 2.821 30 40 CFEB COC(=O)[C@H]1O[C@@]1(C)c1ccc(Cl)c(Cl)c1 85657636 PUDPDUDWUQLGDN-KOLCDFICSA-N 261.104 2.780 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1ccc(Br)o1 42296086 GLJBUXPVSJHGCM-MRVPVSSYSA-N 285.141 2.664 30 40 CFEB COc1ccc(C(=O)/C=C/[n+]2cc(Cl)ccc2N)cc1 5675733 RRBXQUZBZIXXPS-CMDGGOBGSA-O 289.742 2.572 30 40 CFEB C=CCNC(=O)C1=Cc2cc(Cl)cc(OC)c2OC=C1 15838733 IQJOKZYIXPYXEZ-UHFFFAOYSA-N 291.734 2.940 30 40 CFEB Cn1c(N/N=C/c2ccc([N+](=O)[O-])o2)nc2ccccc21 7343350 PNTRLWFWFNBADT-RIYZIHGNSA-N 285.263 2.521 30 40 CFEB COc1ccc(/C=C/C(=O)[C@@]23CCC[C@@H]2O3)cc1OC 3129365 VGHKTVMADWRSIB-OHOWAWRESA-N 274.316 2.608 30 40 CFEB Oc1ccc(/C=N/Nc2ccc3ccccc3n2)c(O)c1O 4868677 MUZGSMNTZJCHIE-RQZCQDPDSA-N 295.298 2.798 30 40 CFEB COc1ccc(/C=N/Nc2ccccc2C(=O)O)cc1O 11905639 PUXJUZQTNYYQLX-CXUHLZMHSA-N 286.287 2.545 30 40 CFEB COc1[nH]c(/N=C/c2ccccc2)c(C#N)c1C#N 100707779 LZFCMQGJYDDMEQ-RQZCQDPDSA-N 250.261 2.517 30 40 CFEB COc1ccc(CCNc2oc(C)nc2C#N)cc1OC 26688723 XJOGGYZJZXZXOL-UHFFFAOYSA-N 287.319 2.527 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 13015077 CWKFNYFEOIJFKT-UHFFFAOYSA-N 280.283 2.757 30 40 CFEB C=CCSc1nc(O)c(C#N)c(-c2ccco2)n1 14076135 NDPBQGDSWFVGDQ-UHFFFAOYSA-N 259.290 2.592 30 40 CFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccccc1F 4785903 PVWLUZYMSLKYLI-OUZNOSRWSA-N 298.408 2.823 30 40 CFEB Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)n1 71889075 BEZMBWAJMITGRK-CQSZACIVSA-N 269.279 2.524 30 40 CFEB C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 95406921 GJOQHZRLDCVYGQ-ABAIWWIYSA-N 285.372 2.655 30 40 CFEB COc1ccc(CN/N=C/c2ccc(C#N)cc2)cc1OC 20195980 QALKBAUNHFZPAO-YBFXNURJSA-N 295.342 2.699 30 40 CFEB C#CCOc1c(C)cc(Br)cc1C#N 225287073 GBYPWULVZWBOBQ-UHFFFAOYSA-N 250.095 2.641 30 40 CFEB COc1ccc(CSC[C@@H](O)C(F)(F)F)cc1C#N 191148331 GEJVJZVBAHMHBO-LLVKDONJSA-N 291.294 2.723 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@]2(C#Cc3ccccc3)O[C@@H]2C1 95951369 KGQUBRJIDRISHG-QAPCUYQASA-N 299.370 2.817 30 40 CFEB C=C(Br)CNC(C)(C)C(=O)Nc1ccccc1 95432272 AVTRFMLCBXOZMX-UHFFFAOYSA-N 297.196 2.902 30 40 CFEB CC[C@H](CO)Nc1ccc(Br)cc1C#N 96008556 PSRJJGVWEBCWOU-SNVBAGLBSA-N 269.142 2.504 30 40 CFEB C/C(=C\C(=O)N(C)[C@H](C)CC#N)c1ccc(F)cc1 209776278 GMTBTJIQGHAVBC-HCRIHEDKSA-N 260.312 2.990 30 40 CFEB C#CCN1CCCC[C@H]1C(=O)Nc1cccc(C)c1C 40134921 DBVLIRUFBUIFEZ-INIZCTEOSA-N 270.376 2.730 30 40 CFEB CNc1ccccc1C(=O)Nc1cccc(C#N)c1 6570747 IOUKDUCLLPZBSG-UHFFFAOYSA-N 251.289 2.852 30 40 CFEB CN(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2o1 57536041 PYIDWQBOUMQGCR-UHFFFAOYSA-N 277.283 2.976 30 40 CFEB N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCc2ccccc21 10752685 TVCBYFHNFNXQEW-OAHLLOKOSA-N 298.367 2.524 30 40 CFEB Cc1ccc(NC(=O)COc2cccc(/C=N\O)c2)cc1 409222763 CHPHOERKELZQMK-YVLHZVERSA-N 284.315 2.821 30 40 CFEB C=CCN/C(S)=N/N=C\c1ccccc1Cl 19792981 AQOSJGSRDFCSFV-ZSOIEALJSA-N 253.758 2.735 30 40 CFEB N#Cc1ccccc1C(=O)COCc1ccccc1 309903615 JIAKCTDDHCEPHW-UHFFFAOYSA-N 251.285 2.958 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccccc2O)c1 83812741 QCHHHWZKXHDICG-UHFFFAOYSA-N 251.285 2.555 30 40 CFEB Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)nc1 97107673 KQJGUFRLJGKMOK-UHFFFAOYSA-N 280.331 2.926 30 40 CFEB N#CCNC(=O)CCOc1ccc(Oc2ccccc2)cc1 95398292 ONBMHCKHKBYRNJ-UHFFFAOYSA-N 296.326 2.888 30 40 CFEB C=CCOc1cccc(-n2nc3ccc(N)cc3n2)c1 216871178 PVTLRHCYDBPINT-UHFFFAOYSA-N 266.304 2.568 30 40 CFEB O=C(O)[C@H](S)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 71621515 BNGYPNUJCOTCGM-SSDOTTSWSA-N 281.211 2.669 30 40 CFEB N#Cc1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c1N 225842549 FOIFEEQFORSHQQ-UHFFFAOYSA-N 284.216 2.543 30 40 CFEB N#Cc1ccc(OC2CN(C(=O)c3ccsc3)C2)cc1 97378096 QVJMEDYBENRBSE-UHFFFAOYSA-N 284.340 2.523 30 40 CFEB N#Cc1ccc[n+](Cc2cccc(C(F)(F)F)c2)c1 152621 VRNAXIGELPZAQR-UHFFFAOYSA-N 263.242 2.913 30 40 CFEB C[C@H](Oc1ccc(C(=O)/C=C/c2cccnc2)cc1)C(=O)O 16390635 QERUGTRBEUFIJK-KFRNIWOLSA-N 297.310 2.830 30 40 CFEB COc1ccccc1/C=C/C(=O)c1ccccc(=O)c1O 6424793 KDSKWCHQBAORCF-ZHACJKMWSA-N 282.295 2.657 30 40 CFEB N#Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 38838 UJQQFTZEYPBVHS-UHFFFAOYSA-N 266.256 2.509 30 40 CFEB Cc1ccc2c(c1)OC(=O)/C(=C\C(=O)c1ccc(O)cc1)N2 100224712 YTUWVWUXJMSQHA-NTEUORMPSA-N 295.294 2.798 30 40 CFEB Cc1oc2ccccc2[n+]1CC(=O)c1ccccc1 1668283 JXMFCIJLRNXVDF-UHFFFAOYSA-N 252.293 2.912 30 40 CFEB Cc1cc(C(=O)OCC#N)c(C)n1Cc1ccccc1 7575049 OQXYPFKCJCRORF-UHFFFAOYSA-N 268.316 2.834 30 40 CFEB CO/N=C1\C[C@@H]2[C@@H]3C4C5[C@H](C=C[C@@H]5[C@H]5/C(=N/OC)C[C@H]2[C@H]45)[C@@H]13 104293359 NEQASLFCPZMGNJ-RWCMSDPZSA-N 298.386 2.571 30 40 CFEB O=C1C(c2ccccc2)=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 101460240 FBCSKRIOXNULOU-APYUEPQZSA-N 250.297 2.660 30 40 CFEB C[C@H]1CCC/C(=C\Nc2ccc(C(=O)O)c(O)c2)C1=O 13751691 HYLACMFUAOMQJL-WKMLFNHBSA-N 275.304 2.775 30 40 CFEB CC[C@H](C)/C(C)=N/Nc1nc2ccccc2c(=O)n1C 19335250 LHAOUGBGRVDYPF-SMBGSVLFSA-N 272.352 2.767 30 40 CFEB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)o1 7975048 SSQCZTKDEXLRAS-CYBMUJFWSA-N 297.358 2.919 30 40 CFEB O=C1Nc2ccccc2/C1=N/C(=S)Nc1ccccc1 16739877 BQNNIXLENOHBFR-UHFFFAOYSA-N 281.340 2.825 30 40 CFEB N#Cc1ccc(/C=C/C(=O)N2CCCCCC2)cc1 9314292 GWPHWZPLBKGZLX-MDZDMXLPSA-N 254.333 2.974 30 40 CFEB N#Cc1ccc(CNC[C@H](O)c2ccc(F)c(F)c2)cc1 37749079 BMWPVNZFZLVHOW-INIZCTEOSA-N 288.297 2.660 30 40 CFEB N#Cc1cn(CC2CC2)c2ccc(Cl)cc2c1=O 84459285 PLOLRLRYRCPCDR-UHFFFAOYSA-N 258.708 2.937 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2(C)CCC2)cc1 96511819 VMYODLPHXSECBA-UHFFFAOYSA-N 254.351 2.891 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)c1occc1C)C2 96071432 WXWPPQAKMVESCA-KRWDZBQOSA-N 288.391 2.845 30 40 CFEB C=C1CCC=C(C(=O)O)C[C@H](O)[C@@H]2[C@@H]1CC2(C)C 299753953 LMJMJHGFJXZGDE-AGIUHOORSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CCc1cc(CN[C@H](C)c2cccc(C#N)c2)on1 195550629 JLELBADANUHMTE-LLVKDONJSA-N 255.321 2.959 30 40 CFEB C=C(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 160646704 GDZOVXYILFZKQK-LLVKDONJSA-N 253.342 2.779 30 40 CFEB Cc1cccc(C(=O)OCc2ccccc2C#N)c1O 5167982 AIMDTXBHOKDWCV-UHFFFAOYSA-N 267.284 2.929 30 40 CFEB N#Cc1ccc(CS(=O)(=O)c2ccccc2)cc1 13815252 UPMZAGMDHJJWIX-UHFFFAOYSA-N 257.314 2.532 30 40 CFEB C[C@H]1CN(CC#C[C@]2(C)CCCC(C)(C)O2)C[C@@H](C)O1 12417994 SMDJPRWUUWXCAB-UXLLHSPISA-N 279.424 2.837 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2)c1 19369690 STZBQLAYJVTDNW-XNTDXEJSSA-N 256.261 2.920 30 40 CFEB N#Cc1cc(Cl)c(NC[C@H]2CCCO2)cc1C#N 482258 RZGSRPMVFVBJNX-LLVKDONJSA-N 261.712 2.674 30 40 CFEB Cc1ccccc1NC(=O)[C@@H](C#N)Cc1ccncc1 420092 ZMPVMQWYAKSHGX-CQSZACIVSA-N 265.316 2.711 30 40 CFEB C=CCNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102962376 WDWXKRFTKSKTGL-IENTYSSBSA-N 253.773 2.866 30 40 CFEB C[C@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCCC1 24685411 NULKGOGGYJSEQB-CQSZACIVSA-N 285.391 2.632 30 40 CFEB N#Cc1cc2c([nH]c1=O)CC[C@H](c1ccccc1)C2 43404415 DSRINXYIXGEMTH-LBPRGKRZSA-N 250.301 2.519 30 40 CFEB in-vitro COCCNc1oc(-c2ccc(Cl)cc2)nc1C#N 1792963 QCJNUNXEDNZGOS-UHFFFAOYSA-N 277.711 2.925 30 40 CFEB C=C1C[C@H](C)O[C@@H](c2ccccc2OCC(=O)O)C1 2097821 AIRCXKPETFMLRX-SMDDNHRTSA-N 262.305 2.946 30 40 CFEB biogenic N#CCn1cnc2c(-c3cccc(F)c3)csc2c1=O 64667688 JFPYYALXTMMVRO-UHFFFAOYSA-N 285.303 2.788 30 40 CFEB N#CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC1 58357957 OOSLQPVJSDEWMB-UHFFFAOYSA-N 298.264 2.642 30 40 CFEB Cc1ccc(C(N)=O)c(OCc2ccc(C#N)cc2F)c1 12870390 IUXMZHLVFAYJCC-UHFFFAOYSA-N 284.290 2.684 30 40 CFEB Cc1occc1-c1nnc(SCCCC#N)n1C 4947727 UDGAFMAIJNJACV-UHFFFAOYSA-N 262.338 2.779 30 40 CFEB NC(N)=N/N=C1\CCCC[C@H]1c1nccc2ccccc12 33550488 MQAGXUITJLTXPO-MQRKLRRUSA-N 281.363 2.522 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)c2ccccc2F)c(C)o1 97231246 IIUFCKPNIODKMA-UHFFFAOYSA-N 297.307 2.729 30 40 CFEB CC(C)(C)[C@@H]1CCc2c(nc(O)c(C#N)c2C#N)C1 66087986 XGQDPGCADHAESA-SECBINFHSA-N 255.321 2.682 30 40 CFEB N#C[C@@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1F 68402183 LBMAFGZSXLHVMW-SECBINFHSA-N 278.180 2.598 30 40 CFEB Oc1oc(-c2ccco2)nc1/C=N/c1ccccn1 5741312 JGGNYLLHYOFMMJ-OVCLIPMQSA-N 255.233 2.786 30 40 CFEB COc1ccc([N+](=O)[O-])c(/C=C/C(=O)c2ccccn2)c1 6403932 JYBHPUHCGQGNDG-VMPITWQZSA-N 284.271 2.895 30 40 CFEB COc1cc(/C=N/c2cccc(C)n2)c(O)c([N+](=O)[O-])c1 5588431 OIXNFALQFFPNIC-OVCLIPMQSA-N 287.275 2.763 30 40 CFEB O=C(C[n+]1cccc(Cn2cccc2)c1)c1ccc(F)cc1 2380458 LUURZFMMDQTZKO-UHFFFAOYSA-N 295.337 2.846 30 40 CFEB Cc1ccc(C[C@@H](C#N)Sc2nc3ncccn3n2)cc1 29918898 GUVFSDVQSXOKCI-ZDUSSCGKSA-N 295.371 2.660 30 40 CFEB C=CCNC[C@H](O)COc1cc(Cl)ccc1Cl 2651197 YSHATYIYDGLWRA-JTQLQIEISA-N 276.163 2.509 30 40 CFEB CC1(C)CC(=O)C(=NNc2ccccc2F)C(=O)C1 109676915 JGFLFZKEUPYSEM-UHFFFAOYSA-N 262.284 2.552 30 40 CFEB CC(=O)Oc1cccc(C(=O)c2ccc(C#N)cc2)c1 43209861 RQHBBYSMZAPZJF-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB C[C@H](C(=O)N1CCCCCC1)N(C)Cc1cccc(C#N)c1 26328152 WWYQGLWEUCWIHJ-OAHLLOKOSA-N 299.418 2.781 30 40 CFEB C=CCNC(=O)Nc1cc(NC(=O)CC)ccc1C 48258497 PPIHEBSAVDUZNJ-UHFFFAOYSA-N 261.325 2.651 30 40 CFEB Cc1ccc(-n2cnnc2S[C@H](C)C#N)c(C)c1 36656338 CLFVAXHHRHOHGG-LLVKDONJSA-N 258.350 2.888 30 40 CFEB C=CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 65554097 CZISEMHYIDZHMY-INIZCTEOSA-N 299.374 2.601 30 40 CFEB Cc1nc(C#N)c(N/N=C/c2ccc(Cl)cc2)o1 6479704 QTMQLUNMZNWEFP-VIZOYTHASA-N 260.684 2.954 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1ccc(OC)c(OC(F)F)c1 65609943 WDRHVDGZXMUFTF-CQSZACIVSA-N 298.289 2.719 30 40 CFEB N#CC1(NC(=O)CNc2ccc(Cl)cc2F)CCCC1 15292064 WSENSZUURRXWCB-UHFFFAOYSA-N 295.745 2.844 30 40 CFEB Cc1ccc(O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 5938647 UHJBBZYTEVEKTM-CZUORRHYSA-N 274.364 2.817 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 7719470 GCBBKDLYBBUVEC-HOCLYGCPSA-N 298.386 2.976 30 40 CFEB CC(=O)c1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1 97084308 XJWWNKITFIXNCM-LLVKDONJSA-N 259.305 2.984 30 40 CFEB CC(C)CC(=O)N1CCC(NCc2ccc(C#N)cc2)CC1 71837134 CFCVDWCEVDRAFA-UHFFFAOYSA-N 299.418 2.685 30 40 CFEB CC/N=C(\NCc1ccccc1)N1CCC(OCC)CC1 83870558 UHVPSTDJUGNOIF-UHFFFAOYSA-N 289.423 2.653 30 40 CFEB N#CC1(NC(=O)CCn2ccc3ccccc32)CCCC1 84598680 GQGMNRRQQNUDMA-UHFFFAOYSA-N 281.359 2.984 30 40 CFEB CC(C)(C)OC(=O)Nc1ccc(C#N)c(C(=O)O)c1 199793744 SYSLJRBWKUPLHJ-UHFFFAOYSA-N 262.265 2.603 30 40 CFEB Cn1ccc2c(C(=O)N3CCC[C@@](C)(C#N)C3)cccc21 96010908 DFWGLXHTUNBXJF-KRWDZBQOSA-N 281.359 2.944 30 40 CFEB COC(=O)c1ccccc1N(C)[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345313 YYURIHLFLZKHSU-MORSSZRFSA-N 288.347 2.538 30 40 CFEB Cc1cc(C)n([C@H](C)C(=O)N(CCC#N)CCC(C)C)n1 69979994 AJHPALRUXXRAOW-OAHLLOKOSA-N 290.411 2.849 30 40 CFEB C=CCNC(=O)N1CCC(c2ccc3cccnc3n2)CC1 653477982 PEPUTOVXYOKMOU-UHFFFAOYSA-N 296.374 2.705 30 40 CFEB N#Cc1cc(F)ccc1NC[C@@H](O)c1cccc(F)c1 96429270 YOROOQBMOZRMMF-OAHLLOKOSA-N 274.270 2.982 30 40 CFEB CCCn1nnnc1/N=C/c1cccc2ccccc12 19596728 KHNGKEOBXOUWFJ-LFIBNONCSA-N 265.320 2.987 30 40 CFEB O=[N+]([O-])c1ccccc1/N=C\c1cccc([N+](=O)[O-])c1O 4530077 MERBIIIKTPYQQH-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB Cc1nc(CC(=O)Nc2ccc(C#N)cc2)cs1 21356221 VMJKGVCMMYKRSN-UHFFFAOYSA-N 257.318 2.504 30 40 CFEB CN(C(=O)[C@H](C#N)C(=O)c1cccs1)C1CCCCC1 101093440 JMVXRCALQTUCJD-GFCCVEGCSA-N 290.388 2.862 30 40 CFEB C=CCNC(=S)N1CCCC[C@H]1c1cccnc1 2307054 WKADGGRDBNBZIB-ZDUSSCGKSA-N 261.394 2.669 30 40 CFEB biogenic N#Cc1cccc(C(=O)NCCc2ccccc2)c1 3607477 IHHAUOVAIPDSLG-UHFFFAOYSA-N 250.301 2.531 30 40 CFEB COCc1cc(C)nc(N/N=C/c2ccccc2O)c1C#N 4750655 OWPUPMCZYXGSBB-GIJQJNRQSA-N 296.330 2.560 30 40 CFEB Cc1cc(C(=O)N[C@]2(C#N)CCSC2)c(Cl)cc1F 98019336 HKWLOFXFFPWQCS-ZDUSSCGKSA-N 298.770 2.917 30 40 CFEB COc1cc2ncc(C#N)c(Cl)c2cc1[N+](=O)[O-] 85223561 JTNOADATUOSXCU-UHFFFAOYSA-N 263.640 2.677 30 40 CFEB C[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccncc1 79092901 HZLHYBUVKUYSDM-CYBMUJFWSA-N 279.343 2.763 30 40 CFEB N#Cc1ccc(N2CCOC[C@H]2c2ccccc2)nc1 79017367 NTGWHBFMRJVKRO-HNNXBMFYSA-N 265.316 2.531 30 40 CFEB C=CCOc1ccc(NC(=O)C2CCN(C)CC2)cc1 216920926 ZCSSMLAHIOROPG-UHFFFAOYSA-N 274.364 2.532 30 40 CFEB C=CCn1nnc(NCc2ccc(Cl)cc2Cl)n1 32617059 MEFPXKACWRCDKU-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB N#C[C@@H]1SC2=C(S[C@H]1C#N)C(=O)c1ccccc1C2=O 35954008 CEPFNUJADGSEQU-UWVGGRQHSA-N 298.348 2.542 30 40 CFEB COC(=O)c1ccc(OC)c(-n2c(C)cc(C#N)c2C)c1 223718438 XRISIHMVOCPPFT-UHFFFAOYSA-N 284.315 2.761 30 40 CFEB N#Cc1cccc(CN2CCC[C@@H]2c2ccc(O)nn2)c1F 528796042 UGDHZKKKUHXDTO-CQSZACIVSA-N 298.321 2.530 30 40 CFEB Cc1ccc(NC(=S)N/N=C/c2ccco2)cc1 357839 YBAZSVRPHROGCE-NTEUORMPSA-N 259.334 2.909 30 40 CFEB CCCOc1ccccc1/C=N/N=C(\S)NCC 5237000 UGIXFFGNZXSACZ-XNTDXEJSSA-N 265.382 2.705 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCCC1 17320403 MEJRBFIYRGJQGH-UHFFFAOYSA-N 283.331 2.877 30 40 CFEB C=C[C@@H]1CCCCN1C(=O)CC(CC)(CC)C(=O)O 634945356 PZBCUCRDRQZEDI-GFCCVEGCSA-N 267.369 2.835 30 40 CFEB O=C1C[N+]2(CCCCC2)c2ccc(Cl)cc2N1 1606226 LLVVBDLRWOCELW-UHFFFAOYSA-O 251.737 2.783 30 40 CFEB N#Cc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1 58214693 ZINZJJAJXQXZOM-UHFFFAOYSA-N 297.402 2.649 30 40 CFEB COc1cccc2c1C(=O)C1=C(CCC(C)(C)O1)C2=O 899352 PZZDIQYEWIHAEX-UHFFFAOYSA-N 272.300 2.917 30 40 CFEB biogenic,in-vitro CO[C@@H]1C[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 100017850 YEYBRTMMOJKDHE-NMFUWQPSSA-N 296.388 2.514 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)no1 78421016 JPOBSRQDPYZPBD-NSHDSACASA-N 269.304 2.716 30 40 CFEB CCc1ccsc1C(=O)Nc1cc(C)nn1CCC#N 49423908 AYWCNLMUEAJBTC-UHFFFAOYSA-N 288.376 2.981 30 40 CFEB C[C@H]1CN/C(=N/c2cc([N+](=O)[O-])ccc2Cl)S1 8490266 SHPFUPBYMOBLIA-LURJTMIESA-N 271.729 2.961 30 40 CFEB CCc1nc(NCCCN(C)C)c(C#N)c2c1CCCC2 6759104 FPNAXTCLNGHPHI-UHFFFAOYSA-N 286.423 2.758 30 40 CFEB Cc1nc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 67350445 OPERHSZCWYYBPE-OAHLLOKOSA-N 282.347 2.629 30 40 CFEB C[C@H]1CC(Nc2ccc([N+](=O)[O-])c(C#N)c2)C[C@H](C)O1 97145411 ZVCWZUKPBDDIJA-UWVGGRQHSA-N 275.308 2.834 30 40 CFEB Cc1csc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1 7196019 ARFJHSWHNLUCHC-GXFFZTMASA-N 297.449 2.987 30 40 CFEB O=C1C=C(NCCNc2ccccc2)C(=O)c2ccccc21 4235791 FUHMKOJLIWZIBP-UHFFFAOYSA-N 292.338 2.651 30 40 CFEB biogenic C[C@@H]1O[C@H](C)[C@@H](C(=O)NCC2(C#N)CCCCC2)[C@@H]1C 529517138 HNDFOJOCVRWPGU-RQJABVFESA-N 278.396 2.636 30 40 CFEB C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)nc1 225942184 FHVUBGLZWUJJLM-UHFFFAOYSA-N 291.395 2.563 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)c1ccc2ncccc2c1 96502365 NMTQYBLTAASERC-JTQLQIEISA-N 292.360 2.668 30 40 CFEB C=C(Cl)CSc1ccccc1S(C)(=O)=O 71910990 MPZYGQCQDXBQIE-UHFFFAOYSA-N 262.783 2.935 30 40 CFEB N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC2 96004098 KCSIQBZFBRKJRP-DZGCQCFKSA-N 269.348 2.989 30 40 CFEB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 69455045 CBSJLXSYVQUNEP-CABCVRRESA-N 289.423 2.546 30 40 CFEB C=CC[n+]1c(-c2ccc(C(=O)OC)cc2)cn2ccccc21 387474 ZTXZVTWIMDUXQT-UHFFFAOYSA-N 293.346 2.866 30 40 CFEB CCOC(=O)/C(=C\c1ccc(Cl)cc1)C(C)=O 4790562 SGLZOEHATVEHGH-WQLSENKSSA-N 252.697 2.876 30 40 CFEB COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC=CCC2)c1 103503642 RAMCDEXEFFGLOM-IUODEOHRSA-N 298.342 2.699 30 40 CFEB COc1ccc(/C=N\C[C@H]2COc3ccccc3O2)cc1 100354366 ZXCNJOYESMHLQH-PACYTGELSA-N 283.327 2.954 30 40 CFEB O=C(Nc1ccccc1O)/C(O)=C\C(=O)c1ccccc1 100672396 HQCFFKFRQAFBBM-XNTDXEJSSA-N 283.283 2.656 30 40 CFEB CCCOc1c(C)cc(C(=O)/C=C(\O)C(=O)OC)cc1C 100965534 FOLGTBFTGRIMDO-ZROIWOOFSA-N 292.331 2.890 30 40 CFEB C#Cc1cccc(NC(=O)Cc2cccc(OC)c2)c1 12932022 JRYDLFKZBMYZPW-UHFFFAOYSA-N 265.312 2.858 30 40 CFEB O=c1nc(N/N=C/c2ccc(Cl)cc2Cl)cc[nH]1 4981750 UVOLUKNERMRHFQ-GIDUJCDVSA-N 283.118 2.523 30 40 CFEB Cc1ccc(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 15292262 ZQSASSRHPPMKLZ-HNNXBMFYSA-N 277.343 2.601 30 40 CFEB N#Cc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 7216380 WYVWYWCWRDYRMA-OAHLLOKOSA-N 278.311 2.812 30 40 CFEB CCn1c(N/N=C/c2ccc(O)cc2O)nc2ccccc21 408692501 NVYANCPKXMGKSU-LICLKQGHSA-N 296.330 2.913 30 40 CFEB CCCN(CC#N)C(=O)c1sccc1SC 96409850 YIPHTWFAWQQEEA-UHFFFAOYSA-N 254.380 2.846 30 40 CFEB N#Cc1c(C(F)(F)F)nn(Cc2ccccc2F)c1N 225840976 OJEPKCMYCCIMTQ-UHFFFAOYSA-N 284.216 2.543 30 40 CFEB C[C@@H](Nc1ccc(C#N)nc1)[C@H](O)c1ccc(F)cc1 195575304 XFPOPSGZQBIBBJ-BMIGLBTASA-N 271.295 2.626 30 40 CFEB C=CCN(C)C(=O)NCc1c(Cl)cccc1OC 190756777 PNMNZXBLFCXPQT-UHFFFAOYSA-N 268.744 2.676 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)CC1CCCC1 96041347 VJMWXIXMWHGVNS-ZOBUZTSGSA-N 293.407 2.528 30 40 CFEB C=C(C)CCOC(=O)c1cnc(-c2cnn(C)c2)s1 96442852 YKNXWDLOQSGMBH-UHFFFAOYSA-N 277.349 2.667 30 40 CFEB N#Cc1cnn2c(-c3cc(Cl)ccc3O)ccnc12 95473311 PFTYMQMQALHQMV-UHFFFAOYSA-N 270.679 2.627 30 40 CFEB N#Cc1c[nH]c(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)c1 87474979 OEGXPUCTXYRSIY-KSSFIOAISA-N 291.354 2.520 30 40 CFEB CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 15304681 HULXVIYOJPCJAT-UHFFFAOYSA-N 294.354 2.961 30 40 CFEB N#Cc1ccc(COn2nnc3ccc(Cl)cc32)cc1 5440551 JVJIGZRKGRUIEQ-UHFFFAOYSA-N 284.706 2.585 30 40 CFEB O=C(O)[C@@H](Cc1ccccc1)/N=C/c1ccc(O)cc1 1767532 AVABFWMEVHDXDS-QAEAHILHSA-N 269.300 2.507 30 40 CFEB CNC(=O)c1ccccc1NC1=CC(=O)CC(C)(C)C1 9477675 UIFZAQFYIYWVQP-UHFFFAOYSA-N 272.348 2.731 30 40 CFEB N#C[C@@H](C(=O)Nc1ccccc1)C(=O)C1CCCC1 103504215 HPMUVXJFKMACJN-CYBMUJFWSA-N 256.305 2.524 30 40 CFEB N#Cc1ccccc1C(=O)c1ccc2c(c1)OCCO2 12858538 JHLLMEWNEDJSKP-UHFFFAOYSA-N 265.268 2.560 30 40 CFEB COc1ccc(C)cc1/C=C/C(=O)c1cn(C)nc1C 48625378 QTDFCXQURDYMGD-VOTSOKGWSA-N 270.332 2.942 30 40 CFEB O=C(O)/C=C1\CSc2ccc(Cl)cc2C1=O 4092526 VPFPKSCHIVGTOM-ZZXKWVIFSA-N 254.694 2.639 30 40 CFEB COc1ccc(C(=O)/C=C/c2cnn(C)c2C)cc1 6527487 KALPCCNLRAFNFM-RMKNXTFCSA-N 256.305 2.633 30 40 CFEB N#CC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCC1 67046936 ZHDRJUIJRNPGRJ-GFCCVEGCSA-N 289.404 2.933 30 40 CFEB C[C@H](C#N)Sc1nnc(-c2ccccc2F)n1C 4947163 LIRRRGXZEMBPMU-MRVPVSSYSA-N 262.313 2.625 30 40 CFEB CC(C)c1nc2c(n1C)CCN(Cc1ccc(C#N)cc1)C2 71880223 CGWLSAZHYFLHEW-UHFFFAOYSA-N 294.402 2.973 30 40 CFEB CSCc1cc(F)ccc1CNc1nccnc1C#N 88742311 DYCDAOIULSMBHX-UHFFFAOYSA-N 288.351 2.962 30 40 CFEB CCOc1c(C)cc(I)cc1C#N 225287177 KYLHRTRELQTXCL-UHFFFAOYSA-N 287.100 2.870 30 40 CFEB C=CCNc1nc(NC[C@H]2CCCO2)c2ccccc2n1 41151992 LGQWDVDTNOKOLT-GFCCVEGCSA-N 284.363 2.819 30 40 CFEB N#CC1(c2ccc(Br)cc2)CC(=O)C1 82999511 IFEQWVRMPCPLSO-UHFFFAOYSA-N 250.095 2.573 30 40 CFEB CCOC(=O)[C@H]1O[C@]1(C)c1ccc(Br)cc1 85657679 LKRBKFJICYDHNL-ZYHUDNBSSA-N 285.137 2.626 30 40 CFEB C=CCCc1csc([C@H]2CCCN(C(C)=O)C2)n1 90065625 GNHMTHLLJHZVIU-LBPRGKRZSA-N 264.394 2.988 30 40 CFEB C=CC(=O)OC(C#N)(C(F)(F)Cl)C(F)(F)Cl 169797751 WWNBPRHWFDJIPK-UHFFFAOYSA-N 280.004 2.641 30 40 CFEB COc1cc(C=O)c(Cl)cc1OCCCC#N 13608873 BLJLCAKYYPALMG-UHFFFAOYSA-N 253.685 2.844 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/CC[C@@H]3C[C@H]23)c([N+](=O)[O-])c1 16952850 AHRJJPFGSXCRPK-LFCZFRHNSA-N 276.252 2.701 30 40 CFEB C/C(=N/NC(N)=S)c1ccc(Cl)c(Cl)c1 33380969 WLYQLQVFJXFMJD-ACAGNQJTSA-N 262.165 2.551 30 40 CFEB COc1cccc(C(=O)/C=C2\C(=O)Nc3ccccc32)c1 547532 NORAAULNPQGLLU-UVTDQMKNSA-N 279.295 2.914 30 40 CFEB C=CCNC(=O)c1ccccc1OCc1c(C)noc1C 22689194 LMTLJEAPHOYCCF-UHFFFAOYSA-N 286.331 2.786 30 40 CFEB N#Cc1ccc(COC(=O)c2cccnc2Cl)cc1 3270552 SBWKVDKJQONUEL-UHFFFAOYSA-N 272.691 2.964 30 40 CFEB Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](C#N)CCC#N 106908520 SXUWURIZFKFDCF-HUUCEWRRSA-N 285.395 2.617 30 40 CFEB N#Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 12788959 IZDJAWOSMFGNLD-UHFFFAOYSA-N 293.282 2.669 30 40 CFEB C/C(=N\Nc1ccccc1)c1ccc2c(c1)NC(=O)CO2 17371852 XFVOXYZDDWTISP-WOJGMQOQSA-N 281.315 2.854 30 40 CFEB N#Cc1cccc(NC(=O)c2cccnc2N2CCCC2)c1 14138910 VKKYXEBUBHGOSD-UHFFFAOYSA-N 292.342 2.806 30 40 CFEB COc1ccc(Cl)cc1C(=O)N(CCC#N)CCC#N 4740441 RTBSJRBPFHODHC-UHFFFAOYSA-N 291.738 2.618 30 40 CFEB CC(=O)Nc1sc(CC#N)nc1-c1ccccc1 8917122 NXTQMPHHJLVRPO-UHFFFAOYSA-N 257.318 2.835 30 40 CFEB CC(=O)c1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1 97084307 XJWWNKITFIXNCM-NSHDSACASA-N 259.305 2.984 30 40 CFEB N#Cc1c(NC(=O)CC2CCCCC2)nc2n1CCS2 72287808 YDNWOSODRVXFAA-UHFFFAOYSA-N 290.392 2.769 30 40 CFEB N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c1 87474977 OEGXPUCTXYRSIY-RDTXWAMCSA-N 291.354 2.520 30 40 CFEB N#Cc1cc(N[C@H]2CCCSC2)ccc1[N+](=O)[O-] 97145022 COYIZEFBVKFRSC-NSHDSACASA-N 263.322 2.774 30 40 CFEB N#CCCN(C[C@H](O)c1cccc(Cl)c1)C1CC1 72581059 FQNJOVPCWLCAOV-AWEZNQCLSA-N 264.756 2.751 30 40 CFEB C=CCCC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 78998291 SIHPPWKSQJTKLE-YMTOWFKASA-N 285.746 2.983 30 40 CFEB Cc1ccccc1CSc1nc(C)c(C#N)c(N)n1 225891121 JGBYALYEDQQXAV-UHFFFAOYSA-N 270.361 2.840 30 40 CFEB N#Cc1ccc(SC2CCOCC2)c([N+](=O)[O-])c1 96484870 GITOXVNIDPACFQ-UHFFFAOYSA-N 264.306 2.738 30 40 CFEB Cc1ccccc1[C@H]1C[C@H]1/C(O)=N/S(=O)(=O)CC1CC1 96420380 JSGDUJGCROCVOX-ZIAGYGMSSA-N 293.388 2.795 30 40 CFEB N#CC1(C(=O)NCCCNc2cccc(F)c2)CCCC1 96010986 CQZQSIMEQDHLNR-UHFFFAOYSA-N 289.354 2.828 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3894496 HHSJVJRXUKWNBB-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB O=C(O)/C(Cl)=C(\Cl)C=NNc1ccccc1 252629884 UPOVJFRBUSNHPY-BQMSPQECSA-N 259.092 2.858 30 40 CFEB Cc1ccccc1-n1c(C)nnc1SCCC#N 5619702 NRJXFVQCKKLFCU-UHFFFAOYSA-N 258.350 2.890 30 40 CFEB C[C@@H]1CC=C/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407721 MGQCINAZHWJLBS-JSGDOSECSA-N 276.252 2.867 30 40 CFEB CC1=NOC(=O)/C1=C\c1cccc(Br)c1 16161087 RSTVYWDIZPXWMQ-POHAHGRESA-N 266.094 2.765 30 40 CFEB CNC(=N)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2 5573607 XAQIVBSWXLLCRN-RGVLZGJSSA-N 278.359 2.726 30 40 CFEB C[C@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1 8010853 WFJJJXWCKOLYTH-GFCCVEGCSA-N 268.316 2.902 30 40 CFEB Cc1ccc(OCC(=O)Oc2ccc(C#N)cc2)cc1 4071661 LPVVYKHGYYAGRJ-UHFFFAOYSA-N 267.284 2.851 30 40 CFEB C=CCN(CC=C)C(=O)Nc1ccc2nccnc2c1 303128 QMFSMCBPPJYCSM-UHFFFAOYSA-N 268.320 2.836 30 40 CFEB Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O 41248293 RAFQQMWDSIZWRL-JYRVWZFOSA-N 253.257 2.712 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1 27984121 PZOFOEYFADIHOP-UHFFFAOYSA-N 295.342 2.999 30 40 CFEB C=CCNC(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1 58245768 NVVXDBBCPYCMRN-UHFFFAOYSA-N 297.402 2.650 30 40 CFEB CCCC/C(O)=N/S(=O)(=O)N(C)Cc1ccccc1 48520085 WDQNZCXVQZBJBB-UHFFFAOYSA-N 284.381 2.510 30 40 CFEB C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(C#N)cc1 7937995 FDRZQCDTEYNMBQ-OLZOCXBDSA-N 298.342 2.785 30 40 CFEB CC(C)N/C(=N\C1CC1)NCC1(c2ccccc2)CC1 72283264 UOTIIFLLVUPUNS-UHFFFAOYSA-N 271.408 2.824 30 40 CFEB Cc1ccccc1[C@@H](C)CC(=O)NC1(C#N)CCN(C)CC1 71909370 WTQWJAVDQSOZNS-HNNXBMFYSA-N 299.418 2.593 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1Br 36377940 DIZOYRMCFHCDQQ-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB Cc1ccc(C(=O)/C=C/NCc2cccnc2)cc1 32100094 MSARAUFBMQQSNS-CSKARUKUSA-N 252.317 2.876 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2ccc(F)s2)cc1 225386744 FIZQNLFPBLPJQS-UHFFFAOYSA-N 282.321 2.560 30 40 CFEB CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2N)O1 40448200 QGCPEUIQACJTTI-UHFFFAOYSA-N 266.728 2.944 30 40 CFEB COCCn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225853735 DGKQWQVAPBVFHZ-UHFFFAOYSA-N 289.766 2.833 30 40 CFEB CCCCNC(=S)N/N=C(\C)c1ccc(C)cc1 5119834 GXJSQUUJZUBCME-FOWTUZBSSA-N 263.410 2.983 30 40 CFEB C#CCn1/c(=N/C(=O)C2CC2)sc2c(C)cc(C)cc21 100910255 TWXGVPIJTFJLJX-MSUUIHNZSA-N 284.384 2.790 30 40 CFEB Cc1ccc(C(=O)NC2CCN(CCCC#N)CC2)s1 51098684 SFDFDGQCZPRAEF-UHFFFAOYSA-N 291.420 2.555 30 40 CFEB CCO/C=N/c1c(C#N)cnn1-c1ccccc1C 101164650 UJMLYIKKRPSEGI-MHWRWJLKSA-N 254.293 2.749 30 40 CFEB CS[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 42820360 HAOMLDSJADKXPC-SSDOTTSWSA-N 254.742 2.902 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 12831797 CTPPKKBDAJKIEP-CQSZACIVSA-N 291.310 2.623 30 40 CFEB O=C(c1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 4199988 LJRIZGQRKVWXSI-OAHLLOKOSA-N 254.285 2.695 30 40 CFEB CCCc1cc(=O)[nH]c(N/N=C(/C)c2ccc(F)cc2)n1 4368659 MXJKGBPCNWVWBZ-GRSHGNNSSA-N 288.326 2.698 30 40 CFEB COc1ccccc1C[C@@H]1CCCN(CCC#N)C1 66894873 QFFWGNXLIQTGFI-AWEZNQCLSA-N 258.365 2.863 30 40 CFEB COC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1 8778099 DYDHYMIWGZJPKJ-UHFFFAOYSA-N 280.283 2.597 30 40 CFEB CCN(CC)/C(N)=N/Cc1ccccc1Br 97001247 MXUDGPGHDSEQIX-UHFFFAOYSA-N 284.201 2.606 30 40 CFEB N#Cc1cnn(-c2c(Cl)cccc2Cl)c1N 71783058 KVARRCNLKYNSJX-UHFFFAOYSA-N 253.092 2.633 30 40 CFEB Cc1nc(COC(=O)c2ccc(C#N)cc2)oc1C 78702612 UXQGWFYCNZWHGJ-UHFFFAOYSA-N 256.261 2.520 30 40 CFEB CC#CCCOC(=O)c1ccc(NC(=O)C2CC2)cc1 95469283 ZRFPBSRULMUSDO-UHFFFAOYSA-N 271.316 2.605 30 40 CFEB Cc1cccc(C(=O)N(c2ccccc2)[C@@H](C)C#N)n1 98013252 PCMGWGSBENXQIB-ZDUSSCGKSA-N 265.316 2.949 30 40 CFEB CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccccc1Cl 75110385 NWMAZWDTCAVRKB-NSHDSACASA-N 286.784 2.557 30 40 CFEB CC(=O)OCCC#CCN1CCCC[C@H]1c1cccnc1 55382692 SDVHQAJDMWWMRQ-KRWDZBQOSA-N 286.375 2.565 30 40 CFEB biogenic Cc1nn(C)c(C)c1/N=C/c1ccccc1[N+](=O)[O-] 408975831 OBUGYSSAOSCEEU-RIYZIHGNSA-N 258.281 2.696 30 40 CFEB C=C(Br)CN1CCCC[C@H]1[C@@H](O)CC 76325272 GLYRTCCVBLPCBX-QWRGUYRKSA-N 262.191 2.520 30 40 CFEB COc1ccc(CCN(C)c2ccc(C#N)cn2)cc1 1166825318 VWTQBGYWYKPAAG-UHFFFAOYSA-N 267.332 2.641 30 40 CFEB O=C1Oc2ccccc2[C@H](O)[C@@H]1/C=N/c1ccc(F)cc1 226757366 UXLXEMCDYFPAFJ-JDYOZIRPSA-N 285.274 2.797 30 40 CFEB C=CCN1CCN(C(=O)c2ccsc2)Cc2cccnc21 96198884 WCPAGMMXUCXPQR-UHFFFAOYSA-N 299.399 2.792 30 40 CFEB C=C[C@@H]1C[C@H](C)C[C@H](C)[C@H]1c1c(O)ccn(O)c1=O 96327860 OQJADHLOEAOIGC-LSCVPOLPSA-N 263.337 2.743 30 40 CFEB C=CCN1C(=O)CCCC12CCN(CC(C)C)CC2 96158603 HVBMHJBGNXMIHQ-UHFFFAOYSA-N 264.413 2.676 30 40 CFEB N#Cc1cccc(CN2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)c1 247648561 LOPOMVUJNYTBLI-FGTMMUONSA-N 282.387 2.948 30 40 CFEB COc1ccccc1/C=N/N=C\c1ccccc1O 16919659 RWTYDYAMJSXTOG-VRNBXGKJSA-N 254.289 2.854 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@](C=O)(c2ccccc2)C1 208353183 ZWDOWFJBWMGNOA-MRXNPFEDSA-N 275.348 2.764 30 40 CFEB CCOC(=O)/C(=C/c1ccc(Cl)cc1)C(C)=O 16518 SGLZOEHATVEHGH-XYOKQWHBSA-N 252.697 2.876 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 22389198 WQZRYFYRIAJCCM-UHFFFAOYSA-N 292.342 2.806 30 40 CFEB CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 23189205 MNBUZUFCPQEBIK-UHFFFAOYSA-N 257.318 2.564 30 40 CFEB Cc1nc(C#N)c(NC[C@@H](c2ccccc2)N(C)C)o1 27990719 VEMDBAUXLIWRQS-AWEZNQCLSA-N 270.336 2.570 30 40 CFEB N#Cc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 58244960 FCXFDRXKWNZCJB-UHFFFAOYSA-N 266.348 2.661 30 40 CFEB N#CCCN(CC1CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 69366733 BOLVQVBYILCZAB-CMDGGOBGSA-N 299.330 2.760 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C/c2ccccc2C(F)(F)F)n1 13637902 ZIJISLNRAFEQTR-REZTVBANSA-N 296.252 2.543 30 40 CFEB C#C[C@@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] 80393294 HOADNVCLQOXMPE-SSDOTTSWSA-N 298.092 2.536 30 40 CFEB N#Cc1ccccc1S(=O)(=O)N1CCCCCCC1 7377807 SJWPKDWGRWXFOQ-UHFFFAOYSA-N 278.377 2.513 30 40 CFEB CCCC(=O)OCC(=O)Nc1c(C#N)oc2ccccc12 7737923 VMOGAZXTPZSOTB-UHFFFAOYSA-N 286.287 2.586 30 40 CFEB C=C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97142989 UXBMMDROZFBOSN-CFVMTHIKSA-N 274.364 2.780 30 40 CFEB C#CCCCCC(=O)Nc1ccc(-c2ncn(C)n2)cc1 97140514 SZWASHKLGAIATJ-UHFFFAOYSA-N 282.347 2.614 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1cc(OC)ccc1C 97141436 PFZJIIKWFSKYSZ-LLVKDONJSA-N 261.325 2.817 30 40 CFEB C[C@H](C#N)NS(=O)(=O)c1ccccc1-c1ccccc1 95439290 QHRBANRJFVLBIC-GFCCVEGCSA-N 286.356 2.544 30 40 CFEB N#Cc1cc(F)c(C(=O)Nc2cccc(CO)c2)c(F)c1 95977692 IHELOEMDLIGSMC-UHFFFAOYSA-N 288.253 2.581 30 40 CFEB N#Cc1c(-c2ccccc2Br)cc[nH]c1=O 41412381 KSVJGVGTKUNACU-UHFFFAOYSA-N 275.105 2.676 30 40 CFEB C#Cc1cc(F)c(NC(=O)N(C)C[C@@H]2CCCO2)c(F)c1 96485744 QDNZWHUNQLXZDK-NSHDSACASA-N 294.301 2.589 30 40 CFEB CC(=O)OCCC(F)(C(F)(F)F)C(F)(F)F 1083806973 HUOVXWGKIPPHPR-UHFFFAOYSA-N 256.117 2.773 30 40 CFEB N#Cc1ccc(CNC(=O)NCc2ccsc2)c(F)c1 71858797 IZBYVSRNRAQRJO-UHFFFAOYSA-N 289.335 2.758 30 40 CFEB C=C1CCC(NS(=O)(=O)CCc2ccccc2)CC1 667618493 BUOIBRIHUYRONB-UHFFFAOYSA-N 279.405 2.647 30 40 CFEB COC[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 79090947 PUDMEYZUMOISQN-LBPRGKRZSA-N 262.328 2.556 30 40 CFEB Cc1ccc(N2C[C@@H](C#N)S(=O)(=O)c3ccccc32)cc1 67172824 XFCDRQNGJXIFQB-CQSZACIVSA-N 298.367 2.813 30 40 CFEB COC(=O)/C(Cl)=N/Nc1cccc2ccccc12 101634697 MVCYGRHWHXSGTI-VBKFSLOCSA-N 262.696 2.977 30 40 CFEB C[C@H](c1ccc(F)cc1)N(C)C/C(O)=N/c1nncs1 32927389 KXDOYHMPXWJZLO-SECBINFHSA-N 294.355 2.958 30 40 CFEB COC(=O)CN/C=C\C(=O)c1ccc(-c2ccccc2)cc1 100661685 JRVRHJSJJMIABE-QXMHVHEDSA-N 295.338 2.813 30 40 CFEB N#Cc1cccnc1N[C@@H]1CCOc2ccccc21 48322075 QWZAZFSELUZGIW-CYBMUJFWSA-N 251.289 2.889 30 40 CFEB C=CCNC(=O)CSC1=Nc2ccccc2CS1 12854089 YVVMIKVBOPDYKN-UHFFFAOYSA-N 278.402 2.956 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 13012755 UBCMSVVZCLPVOO-UHFFFAOYSA-N 273.273 2.780 30 40 CFEB CCOC(=O)c1ccc(-c2ccc(CNCC#N)o2)cc1 22076242 VHHSXSKQIBVZQO-UHFFFAOYSA-N 284.315 2.736 30 40 CFEB N#Cc1ccc(/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 18107779 XWHXIRZXYMOYPJ-UHFFFAOYSA-N 292.254 2.539 30 40 CFEB COc1ccc(O)c(/C=N/N2C(=O)C[C@H]2c2ccccc2)c1 71279104 VXSQUZITWUSOEV-LZNAANCOSA-N 296.326 2.708 30 40 CFEB CCCN[P+](NCCC)(NCCC)NCCC 27025479 ZFGPKFXELDMXKQ-UHFFFAOYSA-N 263.390 2.662 30 40 CFEB COc1ccc(C(=O)Oc2ccc(CC#N)cc2)cc1 7689603 POQVDGZXYPZKFQ-UHFFFAOYSA-N 267.284 2.980 30 40 CFEB CCN(C(=O)[C@H](C)OC)c1ccc(C#N)c(Cl)c1 91206361 VDYKTGATYZJSPA-VIFPVBQESA-N 266.728 2.599 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCCc2ccccc21 96012798 HSEFGXWICYWRAI-PBHICJAKSA-N 299.418 2.662 30 40 CFEB CC(=O)c1ccc(Oc2nccnc2C#N)c(Cl)c1 120376026 NDRKEPBYHCYSSN-UHFFFAOYSA-N 273.679 2.997 30 40 CFEB N#Cc1ccc(NC(=O)CSC(F)(F)F)cc1 33147142 QEDMQRQWQQYXEP-UHFFFAOYSA-N 260.240 2.750 30 40 CFEB CC[C@H](C)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 198090214 ZCICFRLEQDGFIN-VIFPVBQESA-N 267.203 2.956 30 40 CFEB CCCN1CC[C@@H](CNc2nc(C)cc(C)c2C#N)C1 91457763 ZTEQZLVXMCVKMF-AWEZNQCLSA-N 272.396 2.714 30 40 CFEB CS[C@@H](C)/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17148935 MDTLCKSUWLYASZ-KSRYWAHESA-N 284.297 2.652 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nc2cccnc2n1C 1776001799 MGZVAVLTRDUBDB-TXEJJXNPSA-N 254.337 2.656 30 40 CFEB CS/C(=N\C#N)N1CCN(c2cccc(Cl)c2)CC1 100007968 CMSOERODYKCNHG-SSZFMOIBSA-N 294.811 2.662 30 40 CFEB COCCCN[C@@H](C#N)c1cccc(Br)c1 20176171 KMSREOHBONTVMM-LBPRGKRZSA-N 283.169 2.640 30 40 CFEB CN(C)/C=N/c1nc(-c2ccc3c(c2)OCO3)cs1 20392395 AHYPQQDJTFMEJW-VGOFMYFVSA-N 275.333 2.760 30 40 CFEB CCOP(=O)(OCC)ON=C(Cl)Cl 1697672 DNSOFUCDAOVUSH-UHFFFAOYSA-N 250.018 2.933 30 40 CFEB CC[C@H](C)NC(=O)CSCc1ccc(C#N)cc1 46805017 LKKMHOKSVVCFCR-NSHDSACASA-N 262.378 2.706 30 40 CFEB CCN1CCOC1=C1C(=O)CC(c2ccc(C)cc2)CC1=O 20800861 IZPPWRQPEOBPKZ-UHFFFAOYSA-N 299.370 2.574 30 40 CFEB CC1(C)C[C@@H](NC(=O)c2ccc(N=[N+]=[N-])nc2)CCO1 108513811 LYUCWPQFFOFDHY-JTQLQIEISA-N 275.312 2.711 30 40 CFEB CN/C(S)=N/N=C(/C)c1ccc(Br)cc1 4039947 SLYNBGHAPHLPJT-QPEQYQDCSA-N 286.198 2.678 30 40 CFEB CSc1ccc(NCc2ccc(C#N)cc2)nn1 81019157 FRSVDUJLUZMJCT-UHFFFAOYSA-N 256.334 2.682 30 40 CFEB CCc1ccc([C@@H](C)NS(=O)(=O)CCCC#N)cc1 71897406 BKZSRBIRYOZNEB-GFCCVEGCSA-N 280.393 2.533 30 40 CFEB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](C)C#N)s2)o1 78598056 QFWCKQIDGDOKKO-MRVPVSSYSA-N 289.360 2.909 30 40 CFEB C[C@H](C#N)CNC(=O)Nc1ccc(Br)cc1 75109136 IFTBMNRXCHTLHP-MRVPVSSYSA-N 282.141 2.730 30 40 CFEB C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F 2571900 JFBHYYDXTQBWAL-UHFFFAOYSA-N 254.101 2.549 30 40 CFEB biogenic C#CCOc1c(CNC(C)(C)C)cccc1OCC 45945525 GCRDOVQGBOPPQH-UHFFFAOYSA-N 261.365 2.985 30 40 CFEB Cc1noc(C)c1N(C)C(=O)c1sccc1C#N 96448292 BZBXSKBYLUBNOI-UHFFFAOYSA-N 261.306 2.501 30 40 CFEB COc1ccc(CSc2nnc(C)c(C)c2C#N)cn1 96500565 ZJYRPUBXBOVPBP-UHFFFAOYSA-N 286.360 2.661 30 40 CFEB C[C@@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)F 1083811035 PALPALMMXCQBDW-BYPYZUCNSA-N 253.117 2.748 30 40 CFEB CCOCCNc1ccc(C#N)cc1Br 95976198 QIAMZEVUMLFFHK-UHFFFAOYSA-N 269.142 2.769 30 40 CFEB N#Cc1cccc(-c2nc([C@H]3CCCCCN3)no2)c1 96001505 FMNIQBIZXFPALC-CYBMUJFWSA-N 268.320 2.813 30 40 CFEB COc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OC 6417733 AGQWHMBUUWUDRV-OVCLIPMQSA-N 259.309 2.794 30 40 CFEB COc1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc1O 4923104 SDJKCCFLHOVUPE-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB CCOC(=O)c1c(C)[nH]c(-c2csc(CC#N)n2)c1C 2650493 NADJCVJDTIOKTG-UHFFFAOYSA-N 289.360 2.998 30 40 CFEB N#CCSCC(=O)N1CCC[C@H]1c1cccs1 41775275 WGOOHRANKHPGQE-JTQLQIEISA-N 266.391 2.668 30 40 CFEB N#Cc1ccccc1NC(=O)NCc1ccccc1 3158083 LTIWHTWJLGOJFQ-UHFFFAOYSA-N 251.289 2.880 30 40 CFEB O=C(COc1ccccc1/C=N\O)Nc1ccc(F)cc1 109064663 IXJXYIGOPVGVMP-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB Cc1cccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)c1 25156637 ZYYJDKZGLZHCRL-UHFFFAOYSA-N 288.314 2.525 30 40 CFEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccs1 5429221 OUUZEQSDRMZDPI-WQLSENKSSA-N 299.351 2.846 30 40 CFEB C#CCNC(=O)N(C1CC1)[C@@H](C)c1ccccc1F 96431301 ROFJDXYUHLGSCD-NSHDSACASA-N 260.312 2.694 30 40 CFEB COc1cccc(/N=C/c2ccc(N3CCOCC3)o2)c1 409020251 NDAVYCFBAMRVBY-SFQUDFHCSA-N 286.331 2.875 30 40 CFEB Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccccc1C#N 75127141 HEPBTDLRUWQKHL-UHFFFAOYSA-N 282.347 2.842 30 40 CFEB O=C1Nc2ccccc2/C1=C\C(=O)c1ccc([N+](=O)[O-])cc1 31969690 KGVYMFWUNKSLFM-UKTHLTGXSA-N 294.266 2.813 30 40 CFEB C#CCOC(=O)c1cc(-n2nc(C)cc2C)ccc1Cl 216851703 YAMCRRHUZKQGDD-UHFFFAOYSA-N 288.734 2.933 30 40 CFEB COc1cc(C#N)cc(Cl)c1O[C@H]1CCCC[C@H]1O 193098302 QYEUTSJJUOBMMR-NEPJUHHUSA-N 281.739 2.903 30 40 CFEB O=S(=O)(CCCC(F)(F)F)/N=C(\O)C[C@@H]1C=CCC1 96487606 UEUYJDPXTQCEOP-SECBINFHSA-N 299.314 2.972 30 40 CFEB CCO[C@@H]1CSC2(C1)CN(Cc1ccccc1C#N)C2 253385584 TXGQMOPJSIFRCE-HNNXBMFYSA-N 288.416 2.655 30 40 CFEB COc1cc(C#C[C@@](C)(O)c2ccccc2)cc(OC)c1 95631994 BIWRGHUAVAYVPB-GOSISDBHSA-N 282.339 2.963 30 40 CFEB CO[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 685939104 MRBGCLFHYGLONR-XYPYZODXSA-N 293.754 2.705 30 40 CFEB N#C[C@H](C(=O)C[C@H]1CCCO1)c1nc2ccccc2o1 54736069 IDYZXUXYQDLJCO-GHMZBOCLSA-N 270.288 2.573 30 40 CFEB C=CCCC(=O)NC[C@@H](c1ccco1)n1nc(C)cc1C 585367673 JTPILGSNXVLNPI-AWEZNQCLSA-N 287.363 2.765 30 40 CFEB [N-]=[N+]=Nc1c(C(N)=O)ccc2c1C(=O)c1ccccc1C2=O 15275976 ZRVKPTVWVXSTEC-UHFFFAOYSA-N 292.254 2.503 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)Nc1cccc(Cl)c1 42749058 CGYSXWPDICBADB-VIFPVBQESA-N 251.717 2.963 30 40 CFEB CCCOc1ccc(C(=O)/C=C(\O)C(=O)OC)cc1Cl 100969545 XGHLVYMXFAYZEV-WQLSENKSSA-N 298.722 2.926 30 40 CFEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Cn2cccc21 12804516 VARVMECBYPCKDX-YRNVUSSQSA-N 254.245 2.676 30 40 CFEB N#Cc1cccc(NC(=O)COc2ccc(F)c(F)c2)c1 13002924 UWETYPCZLBQEOJ-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB C[C@@H](C#N)Sc1nnc(S[C@@H](C)C#N)s1 5118670 JCZFJCAACUMSMF-WDSKDSINSA-N 256.381 2.546 30 40 CFEB CCCCCCCCCNC(=O)C(=O)N[C@H](C)CC 409257877 RFDPHCZTXNVHOC-CYBMUJFWSA-N 270.417 2.768 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2c(c1)OCO2 4905260 CKXKVQYGDZLNOY-UHFFFAOYSA-N 283.243 2.939 30 40 CFEB C[C@H](C#N)CSc1nnc(-c2ccccc2F)n1C 7200637 QSSLVCNGFSHCBN-SECBINFHSA-N 276.340 2.873 30 40 CFEB N#Cc1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 9364895 SDWCUGLFSPFKLI-INIZCTEOSA-N 292.338 2.741 30 40 CFEB CCc1cc(C)c(C(=O)OCC2(C#N)CCOCC2)o1 97056616 XHOGXHBPKPYJGU-UHFFFAOYSA-N 277.320 2.628 30 40 CFEB N#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)c(F)c1 89768263 KFLMPPKPJLLUBV-HNNXBMFYSA-N 296.349 2.867 30 40 CFEB N#Cc1cccc(SCc2cc(=O)c(O)co2)c1 89780782 BTHKEAUYNHGLLE-UHFFFAOYSA-N 259.286 2.509 30 40 CFEB N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CCCC2 49857101 KFTOCTATFGKDMA-UHFFFAOYSA-N 265.316 2.787 30 40 CFEB CCOCc1cc(/C(C)=N/N)ccc1OC(C)C 12650997 IFEVHVDUYAQBQQ-LFIBNONCSA-N 250.342 2.693 30 40 CFEB N#Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12 555699 SYJKYNBHFXRCSY-UHFFFAOYSA-N 281.359 2.916 30 40 CFEB N#Cc1c(=O)c2ccccc2n2c1[nH]c1ccccc12 86631 MFUDWLYZGFUXJX-UHFFFAOYSA-N 259.268 2.806 30 40 CFEB Cc1ccccc1NC(=O)COc1ccccc1C#N 2761950 CPCFBLOGHIEYBO-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB C/C(=N\OC(=O)c1cc(F)ccc1F)c1ccncc1 4976276 MZBHZPWMYQPIPN-GIJQJNRQSA-N 276.242 2.941 30 40 CFEB Cc1nnc(NCc2ccc([C@H](C)O)cc2)c(C#N)c1C 53584544 NEIVTEYZTIDQJL-LBPRGKRZSA-N 282.347 2.631 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccccc1Cl 3535133 FDVKEBWCKSOJKI-CQSZACIVSA-N 280.755 2.773 30 40 CFEB C#CCOc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 89904845 GZRAUPKEYFQKSE-CJNGLKHVSA-N 259.349 2.528 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/Nc1ccccc1O 5770498 MOAFAKJSBWUHAJ-NTEUORMPSA-N 257.249 2.746 30 40 CFEB C/C(NC(=O)Cc1ccccc1)=C1/C(=O)C[C@H]2[C@@H]1C2(C)C 5816483 XDLMQWRANBAVGO-XUCOJJCUSA-N 283.371 2.864 30 40 CFEB N#CC1(c2nc([C@@H]3CCCCCN3)no2)CCCCC1 96001565 PPBCCEIKIDSLFE-LBPRGKRZSA-N 274.368 3.000 30 40 CFEB N#CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 84419602 ZBUDQORZAARRDS-UHFFFAOYSA-N 289.722 2.567 30 40 CFEB Cc1cc(N(C)Cc2ccccc2)ncc1/C=N/O 72223385 HJAGVRCDCGAMNV-LICLKQGHSA-N 255.321 2.835 30 40 CFEB CCCNc1nn(-c2ccccc2CC)nc1C#N 256046623 HDFKARVEISYHMQ-UHFFFAOYSA-N 255.325 2.523 30 40 CFEB COc1ccc(-n2c(C)cc(C#N)c2C)c(OC)c1 32109049 CPOYIYMFCQHOGD-UHFFFAOYSA-N 256.305 2.983 30 40 CFEB Cc1nc2ccc(NN=C3C(=O)CCCC3=O)cc2s1 350937 LCPBEBFSPLMBQY-UHFFFAOYSA-N 287.344 2.695 30 40 CFEB N#CCc1ccc(NS(=O)(=O)c2ccccc2)cc1 6362299 HPYVUENMIQIZCY-UHFFFAOYSA-N 272.329 2.553 30 40 CFEB COc1cc(CNc2ccc(C#N)cc2F)ccn1 60941500 SWFBWLSSUWOILD-UHFFFAOYSA-N 257.268 2.713 30 40 CFEB N#Cc1cc(N)ccc1NCCc1ccc(F)cc1 20134911 PKWODKILCSCSEF-UHFFFAOYSA-N 255.296 2.934 30 40 CFEB C#CC[C@@H](C(=O)c1ccccc1)C(=O)C(C)(C)OC 104103495 FHRDNFZLGWUZEI-ZDUSSCGKSA-N 258.317 2.503 30 40 CFEB C/N=C(/NC)NCc1cccc(OCc2ccccc2)c1 57888006 ZLVGJLSOXBEPES-UHFFFAOYSA-N 283.375 2.560 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)NCc1cccnc1 58453718 OZFKBYIGGWKJDW-UHFFFAOYSA-N 266.304 2.583 30 40 CFEB N#Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 17526933 FDYSLINMQGNMET-QGZVFWFLSA-N 292.338 2.957 30 40 CFEB N#CCCN1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71903188 KNUMMUKCEXRFJS-AWEZNQCLSA-N 297.324 2.821 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc3c(c2)OCO3)cc1 33391170 ZURBLFPFTHXHQS-NVNXTCNLSA-N 285.259 2.770 30 40 CFEB Cc1ccc(Cn2c(C#N)cc(N)c2N2CCCC2)cc1 225864774 WBPPCKDAXMYOEL-UHFFFAOYSA-N 280.375 2.899 30 40 CFEB CCOC1=C/C(=C/C=C2\C=CC=CN2C)C=CC1=O 334139393 VKOPSUULTURNDZ-WWCAHYSFSA-N 255.317 2.871 30 40 CFEB CC/N=C(\NCC)NCc1cc(Br)cs1 66243516 RDGBSYNLPOBFKJ-UHFFFAOYSA-N 290.230 2.586 30 40 CFEB N#Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 341712 VFURPOIVAAKOFZ-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1 40231120 PQLAWHBJHVANSB-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C[C@@H](CNc1ncccc1C#N)N1CCc2sccc2C1 40511150 GRAMBSIKOAMRMJ-LBPRGKRZSA-N 298.415 2.873 30 40 CFEB COCc1cccc(C(=O)NCc2ccc(C#N)cc2)c1 40069729 XPRFQKYNPCQXBX-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB COc1ccc(CNCc2ccc(C#N)cc2)cc1OC 20122827 ZEXRWISXQSYERD-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB N#Cc1cn(CC(=O)NC2CCCC2)c2ccccc12 253148 PCMATTDNDBNYKO-UHFFFAOYSA-N 267.332 2.572 30 40 CFEB N#Cc1ccsc1NC(=O)COc1ccccc1 4330623 DJLIWQLCKOTURO-UHFFFAOYSA-N 258.302 2.637 30 40 CFEB CCOc1cccc(CNc2cc(C#N)ccn2)c1 37680079 UOPIUXFGXBOZMS-UHFFFAOYSA-N 253.305 2.964 30 40 CFEB COC(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 12598987 FXKOYESCDNEOLG-UHFFFAOYSA-N 280.283 2.597 30 40 CFEB C=CCNC(=O)[C@@H](C)Sc1nc2cc(F)c(F)cc2[nH]1 12730819 JRFDJWBIMSTYSZ-SSDOTTSWSA-N 297.330 2.624 30 40 CFEB CCn1c(C)c(C(=O)c2ccccc2)c(C#N)c1C(=O)O 4013875 ROVYINASJAZCQT-UHFFFAOYSA-N 282.299 2.617 30 40 CFEB C=CCn1nnnc1NCc1ccc(Cl)cc1Cl 6856431 RBEPTCDLAMZPHZ-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB COc1ccc(/C(C)=N/Nc2ccc(Cl)nn2)c(O)c1 4926146 BHGLEBOMONPVRH-OVCLIPMQSA-N 292.726 2.680 30 40 CFEB O=C(/C=C/c1cccnc1)c1ccc2c(c1)OCO2 7586966 PXOMTXPZPYLZLM-HWKANZROSA-N 253.257 2.706 30 40 CFEB C=CCNC(=O)N(C)CCc1ccc(Br)cc1 71882516 GPYPHTUAIPOSQN-UHFFFAOYSA-N 297.196 2.819 30 40 CFEB CCN(CCC#N)Cn1nc(Cl)c2ccccc21 89969182 SFESDRYFAALDHE-UHFFFAOYSA-N 262.744 2.883 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1cc(OC)ccc1C 97141434 PFZJIIKWFSKYSZ-NSHDSACASA-N 261.325 2.817 30 40 CFEB C=CC[C@H](C)[C@H](C)NCc1cccc(C(=O)NC)c1 95420966 RDCAKIPFDOURRZ-STQMWFEESA-N 260.381 2.737 30 40 CFEB CO[C@]1(C)C[C@@H](N(C)C(=O)c2cccc(C#N)c2)C1(C)C 75293609 FIVUINUWMXOJGB-RHSMWYFYSA-N 286.375 2.834 30 40 CFEB CCCCn1c(C#N)cc(N)c1OCCC(C)(C)OC 225877959 RFSLGSLAOUVWSG-UHFFFAOYSA-N 279.384 2.936 30 40 CFEB N#Cc1cc(Cl)c2ncc(Br)n2c1 43827576 MIXLGWIPOADQEM-UHFFFAOYSA-N 256.490 2.622 30 40 CFEB N#CC1(C(=O)NCC(=O)c2cccs2)CCCCC1 96485789 ZVDCTFISQLJRJM-UHFFFAOYSA-N 276.361 2.521 30 40 CFEB C#CCOc1c(C(=O)O)sc(Cl)c1Cl 96511026 QUNFZRIYAYUQDW-UHFFFAOYSA-N 251.090 2.765 30 40 CFEB C=CCOc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1 32455677 IQJLDAYJKALFQZ-UHFFFAOYSA-N 285.347 2.854 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2ccccc2F)c1 20034517 AEXAHPZOUHLEKL-UHFFFAOYSA-N 268.291 2.858 30 40 CFEB C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccccc1C#N 7937955 XOUJTODXFNBRCQ-OLZOCXBDSA-N 298.342 2.785 30 40 CFEB O=C(O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 27467135 KLQIXNPZJXDJSQ-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB O=C(O)/C(=N\Nc1ncnc2ccccc12)c1ccccc1 8515924 OXVPGLRXZMXDMR-RGEXLXHISA-N 292.298 2.531 30 40 CFEB N#Cc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 5456298 ZABHNCGXIXFMHR-UHFFFAOYSA-N 294.310 2.511 30 40 CFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccc([N+](=O)[O-])o1 5559173 RMIZYBFOSYUAFL-ZFRLMCFGSA-N 251.286 2.785 30 40 CFEB C/C(=N\Nc1ccc(Cl)nn1)c1ccc2c(c1)OCO2 4926496 QPEYKDCPACBQKX-OVCLIPMQSA-N 290.710 2.695 30 40 CFEB Cc1cnc(NC(=O)/C=C/c2ccc(C#N)cc2)s1 8986224 AQFSGOIXWZSRRI-VOTSOKGWSA-N 269.329 2.975 30 40 CFEB CC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 7389309 GDCDFRNRETUHMH-CYBMUJFWSA-N 271.364 2.617 30 40 CFEB COc1cc(C(C)=O)ccc1OC(=O)c1ccc(C#N)cc1 7753404 RSEOPGKQIPRWQL-UHFFFAOYSA-N 295.294 2.989 30 40 CFEB COC(=O)Nc1cccc(C(=O)O[C@@H](C#N)C(C)(C)C)c1 96013295 ZEJRHXYTBNBOPR-LBPRGKRZSA-N 290.319 2.960 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C 78441187 ZQMOMGZXPJDUSJ-IUODEOHRSA-N 271.364 2.888 30 40 CFEB N#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c(F)c1 78985154 BNAYPENAHBXGKM-JKSUJKDBSA-N 268.291 2.768 30 40 CFEB Oc1ccccc1/N=C\c1ccc(N2CCOCC2)o1 409020888 VEBOACYXXANXIG-WJDWOHSUSA-N 272.304 2.572 30 40 CFEB CC(C)[C@H](NCc1cccc(C#N)c1)[C@H](O)C(F)(F)F 585139889 XTXXCPXGRYPYSI-STQMWFEESA-N 286.297 2.596 30 40 CFEB O=c1ccc(/C(O)=N/c2nc3ccc(F)cc3s2)c[nH]1 16046175 GZLUZYRMAGXBBP-UHFFFAOYSA-N 289.291 2.760 30 40 CFEB COc1ccc(-c2ccc(C(=O)NCC#N)c(F)c2)cc1 69842072 GVLGXBQQWLOSBL-UHFFFAOYSA-N 284.290 2.755 30 40 CFEB COc1c(Cl)cc(Cl)cc1CN(C)CC#N 95982646 KOHOQQMSXSCCJX-UHFFFAOYSA-N 259.136 2.957 30 40 CFEB C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 28539500 BGUYVWYUIXKRDO-OSEPDQNXSA-N 256.386 2.562 30 40 CFEB biogenic,in-vitro CC(C)=NOS(=O)(=O)c1c(C)cc(C)cc1C 4962257 BCPWUOSBRCQZFB-UHFFFAOYSA-N 255.339 2.713 30 40 CFEB in-vitro N#Cc1cccc(C(=O)OCCOc2ccccc2F)c1 7395558 PYUBNKKKKKFSGQ-UHFFFAOYSA-N 285.274 2.933 30 40 CFEB C=CCNC(=S)N/N=C(C)\C=C\c1ccc(OC)cc1 8655835 DOHGGHHPPPHTRT-FSJMRZIBSA-N 289.404 2.734 30 40 CFEB CSc1ccc(O[C@H](C)C(=O)N(C)CCC#N)cc1 76962001 OQVHRKXXERJOOV-LLVKDONJSA-N 278.377 2.548 30 40 CFEB C[C@@H](Nc1ccc(C#N)cn1)[C@H](O)c1ccc(F)cc1 78673113 HTYKJUFROWFVJP-BMIGLBTASA-N 271.295 2.626 30 40 CFEB C[C@@H](SC1=NCCS1)C(=O)NC1(C#N)CCCCC1 10022978 ZKDBZSRRCJSGMX-SNVBAGLBSA-N 297.449 2.554 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)CCCOc1ccccc1F 69897348 OFUBRZBBPCXAAI-LBPRGKRZSA-N 278.327 2.745 30 40 CFEB COc1ccc(/C(C)=N/Nc2nc(C)cc(C)n2)c(O)c1 5158117 XHAUGJDIYXFXBT-WOJGMQOQSA-N 286.335 2.644 30 40 CFEB C(=N/n1cnc2ccccc21)\c1ccc2c(c1)OCO2 4566749 UEANOLGQCKTKQX-CAOOACKPSA-N 265.272 2.647 30 40 CFEB CCC[C@@H](C)CS(=O)(=O)/N=C(O)/C=C/c1ccncc1 79023959 WQDGDHACVADPNY-BTDICHCPSA-N 296.392 2.817 30 40 CFEB Cc1cccc(-n2ncc(C#N)c2Br)c1 218306334 MKHBPZVKIVWWGG-UHFFFAOYSA-N 262.110 2.815 30 40 CFEB CCc1cc(C)n(Cc2ccc(C(=O)OC)o2)c1C#N 78405276 KOZFYKGYIJRCSU-UHFFFAOYSA-N 272.304 2.659 30 40 CFEB C[C@@H](CNC(=O)C1(C#N)CCCC1)Oc1ccccc1F 96431450 KRYXHCPRSNDDBZ-LBPRGKRZSA-N 290.338 2.793 30 40 CFEB C=CC[C@H](CC)NC(=O)NCCc1sc(C)nc1C 252491882 LYFJQCGKUGUHFU-LBPRGKRZSA-N 281.425 2.956 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1CCCCC1 48541005 OOLBCRMNZNROFM-CQSZACIVSA-N 276.380 2.724 30 40 CFEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F 5103274 PABJUHZVTIQIMY-ACAGNQJTSA-N 292.173 2.853 30 40 CFEB N#Cc1ccc(Sc2nc3ccccc3[nH]2)nc1 19846597 QLKGIRFNXVLZSD-UHFFFAOYSA-N 252.302 2.981 30 40 CFEB CN1CCc2nc(S)c(C#N)c(-c3ccccc3)c2C1 2489554 YAVQOEYAMDXUCE-UHFFFAOYSA-N 281.384 2.897 30 40 CFEB COc1ccc([C@H](C#N)C(C#N)C#N)cc1Br 216757989 KWBPIJDXDJRULG-JTQLQIEISA-N 290.120 2.728 30 40 CFEB COc1cc(C(=O)CC#N)ccc1Br 1857794160 AGFNFTCARUURAP-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB COC1=NCc2ccccc2[C@@]2(OC)C(C)(C)[C@@]12C#N 1582138 ALMUTWXPWMCMAX-HZPDHXFCSA-N 270.332 2.637 30 40 CFEB O=[N+]([O-])c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 2744621 FGXDZXGCBPLPOT-RIYZIHGNSA-N 287.231 2.959 30 40 CFEB C=CCC[C@@H](O)CN1CCCN(Cc2ccccc2)CC1 33916795 LKQAEEZQANXPAS-GOSISDBHSA-N 288.435 2.521 30 40 CFEB N#Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105709458 GBBQQUJXLQLAJR-LBLXLQPISA-N 298.729 2.523 30 40 CFEB N#Cc1cccnc1N1CCO[C@H](c2ccccc2)C1 23888575 BSYFFWOIKDCOGM-HNNXBMFYSA-N 265.316 2.531 30 40 CFEB CC(C)(C)c1noc(COC(=O)c2cccc(C#N)c2)n1 24045673 QSOXYBNKHPFYEH-UHFFFAOYSA-N 285.303 2.596 30 40 CFEB COc1ccccc1CN/N=C/c1cccc(O)c1 20762217 NOGRDEILQFLTEH-MHWRWJLKSA-N 256.305 2.525 30 40 CFEB COCc1ccccc1CNc1nnc(C)c(C)c1C#N 26718901 CKEVGBJVCVAJJN-UHFFFAOYSA-N 282.347 2.724 30 40 CFEB COC(=O)c1ccc(/N=C/c2cccn2C)c(C)c1 409096899 LJJAPYAXZUBVJH-MHWRWJLKSA-N 256.305 2.871 30 40 CFEB CCc1ccc2cc(C#N)c(N3CCC[C@H](O)C3)nc2c1 20142925 CAUIVHPCSVARPF-HNNXBMFYSA-N 281.359 2.630 30 40 CFEB COc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 6581667 DYBLZOAAZNGSKM-MHWRWJLKSA-N 270.288 2.839 30 40 CFEB N#Cc1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 7658442 QTQOGQTUAONKJO-UHFFFAOYSA-N 267.240 2.506 30 40 CFEB CC[C@H](Oc1ccccc1F)/C(O)=N/c1nc(C)n[nH]1 78997135 SLPFRLXXUBLNSR-JTQLQIEISA-N 278.287 2.698 30 40 CFEB N#Cc1c(F)cccc1N[C@@H]1c2ccccc2C[C@@H]1O 60355853 FFKRTNOSYVGBAZ-JKSUJKDBSA-N 268.291 2.768 30 40 CFEB CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CO1 72208020 VUZWNBKWDQMESA-BXUZGUMPSA-N 255.358 2.955 30 40 CFEB N#C[C@H](C(=O)CCc1ccco1)c1ccc(F)cn1 80421159 TWSRCEXIMYIERP-LBPRGKRZSA-N 258.252 2.623 30 40 CFEB N#Cc1ccc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)nc1 194661484 RPCISAIVFVSPIL-DAFODLJHSA-N 267.244 2.737 30 40 CFEB CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1 242463506 DDJOIKUARWSPEQ-UHFFFAOYSA-N 261.108 2.867 30 40 CFEB CC(C)Oc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 669367738 FFQFAIKPMJDPEH-UHFFFAOYSA-N 280.148 2.912 30 40 CFEB C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(C#N)cc1 195556619 UYZRLCUKWKYBPX-LLVKDONJSA-N 266.300 2.755 30 40 CFEB CCOc1cccc(/C=N/Nc2ccccn2)c1O 6026703 DCNHHGDDLQNJQG-MHWRWJLKSA-N 257.293 2.632 30 40 CFEB N=C(N)N/N=C/c1c2ccccc2cc2ccccc12 1694231 DQGPLSQWZKWKPW-VXLYETTFSA-N 262.316 2.810 30 40 CFEB CC(C)(C)OC(=O)N[C@H]1C=CCCCC[C@H]1C=O 100396288 YSAIDHRQPYWOIY-RYUDHWBXSA-N 253.342 2.825 30 40 CFEB CC1=CC(=O)C=C(C)C1=NOC(=O)Cc1ccccc1 3076922 KEYXEDZYIWEIMW-UHFFFAOYSA-N 269.300 2.604 30 40 CFEB Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)O)cc2)o1 24717824 RYFCADBUXLJNDZ-VMPITWQZSA-N 286.283 2.948 30 40 CFEB O=C(/C=C/Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 103749954 TTYBVMGCXBUDKS-VQHVLOKHSA-N 269.260 2.798 30 40 CFEB O=C(O[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21)c1ccccc1 104068174 DDGVTCZIJXAZOT-ORUAGATBSA-N 270.328 2.655 30 40 CFEB CCOc1ccc(C(=O)C[n+]2ccccc2C)cc1 3304869 HBVLWNMJVYIERP-UHFFFAOYSA-N 256.325 2.564 30 40 CFEB CCCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1 20636022 IDTRBWLSTIYOSD-UHFFFAOYSA-N 277.331 2.803 30 40 CFEB N#CCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 8724859 IUWMOLWPSBOYOB-UHFFFAOYSA-N 288.310 2.948 30 40 CFEB CCCN1CCc2c(C#N)c(N)sc(=S)c2C1 19707385 HFUDTUUMRNIBPI-UHFFFAOYSA-N 265.407 2.700 30 40 CFEB C[C@H](C#N)NC(=O)CSc1cccc(Br)c1 96487630 BVSQZOXDMPTITG-MRVPVSSYSA-N 299.193 2.569 30 40 CFEB C=CCCOC(=O)[C@@H](C)NC(=O)CC1CCCCC1 71803568 LOJCQFPYJNBVSG-GFCCVEGCSA-N 267.369 2.581 30 40 CFEB C[C@H](Nc1ncnc2c1cnn2CCC#N)c1ccco1 97200117 ARFPEOOBOUXFDD-JTQLQIEISA-N 282.307 2.506 30 40 CFEB Cc1cc(C(=O)N(C)c2ncccc2C#N)c(F)cc1F 97371854 QUEBJBVIUSOZCI-UHFFFAOYSA-N 287.269 2.817 30 40 CFEB CC(C)C[C@H](/N=C(\O)Nc1ccc(F)cc1)C(=O)O 82089208 VRPMCSFGXKOOOO-NSHDSACASA-N 268.288 2.651 30 40 CFEB CC(C)(CNC(=O)CC#N)c1ccccc1Br 185322642 ZSPULUXRPHKNQW-UHFFFAOYSA-N 295.180 2.757 30 40 CFEB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C#N)cn1 84456996 RADBENDWZAXQGJ-LBPRGKRZSA-N 275.352 2.733 30 40 CFEB N#C/C(=N\Nc1ccc(O)cc1)c1nc2ccccc2[nH]1 4262757 XUUAVAKESWWLTR-XSFVSMFZSA-N 277.287 2.608 30 40 CFEB CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 203608157 SPMJGWSQBFTIGG-UHFFFAOYSA-N 262.158 2.815 30 40 CFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2O)c1 1718164 IJEPAOAPPKGTTC-OQLLNIDSSA-N 272.260 2.851 30 40 CFEB Cc1ccc([C@H]2CCCC[C@H]2OS(C)(=O)=O)cc1 1706512 ADBLBUZAIOEZBQ-ZIAGYGMSSA-N 268.378 2.997 30 40 CFEB Cc1ccc2c(c1)OC(=O)/C(=C/C(=O)c1ccco1)N2 102781982 MXSHMGZUNYVIPG-FLIBITNWSA-N 269.256 2.686 30 40 CFEB COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 3261714 BLMITBMZSKAJDS-UHFFFAOYSA-N 281.315 2.617 30 40 CFEB O=C1C=C(c2ccccc2)C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 170612823 FBCSKRIOXNULOU-GVAFMPQTSA-N 250.297 2.660 30 40 CFEB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(C#N)cc1 5108859 MQJXBKFVPYIEOZ-CYBMUJFWSA-N 292.338 2.915 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@@H]2c1ccccc1 6634168 LQOWAPAUEFCXJS-CQSZACIVSA-N 286.400 2.849 30 40 CFEB COc1ccc(/C(C)=N/Nc2ccccn2)cc1OC 5637043 KWCCHEOGDHNEQM-GZTJUZNOSA-N 271.320 2.935 30 40 CFEB CCN(Cc1ccccc1)C(=O)COc1ccc(C#N)cc1 5868629 UPGAATWVYCJMTN-UHFFFAOYSA-N 294.354 2.986 30 40 CFEB Cn1cc(C2CCN(Cc3ccc(C#N)cc3F)CC2)cn1 97203210 IPOKFQIZNYLWEF-UHFFFAOYSA-N 298.365 2.810 30 40 CFEB Cc1ccccc1CN1CCN(c2ncccc2C#N)CC1 95950752 VEBLOQUVUNVIDF-UHFFFAOYSA-N 292.386 2.584 30 40 CFEB CCc1cc(C)n(Cc2ccc(C(=O)O)o2)c1C#N 78405279 OVBMGMGUNWHYCZ-UHFFFAOYSA-N 258.277 2.570 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccccc1C 225862031 SJIHADMEQRMBDG-UHFFFAOYSA-N 269.348 2.892 30 40 CFEB N#Cc1cc(N)c(N2CCCC2)n1Cc1ccc(F)cc1 225864914 KUYTZROOVRDSSN-UHFFFAOYSA-N 284.338 2.730 30 40 CFEB N#Cc1cccc(-c2nc([C@@H]3CCCCCN3)no2)c1 96001504 FMNIQBIZXFPALC-ZDUSSCGKSA-N 268.320 2.813 30 40 CFEB C=C(C)CNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 156174459 MKQWFZUBZIAVJN-JTQLQIEISA-N 266.316 2.771 30 40 CFEB CC1=NN(c2ccccc2)C(=N)/C1=N\Nc1cccnc1 100843343 AROAUAYVRCVIMV-YFWLICNRSA-N 278.319 2.723 30 40 CFEB C#CCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 29324975 UVAKGFXXGBVEOK-KRWDZBQOSA-N 278.355 2.903 30 40 CFEB C[C@H](ON=C1c2ccccc2-c2ccccc21)C(=O)O 1599915 LNBFXOGDVXIFMX-JTQLQIEISA-N 267.284 2.909 30 40 CFEB C[C@H]1CN(c2ccc(C#N)cn2)C[C@@H](c2ccsc2)O1 107362510 AITOBZXHKMOYGZ-FZMZJTMJSA-N 285.372 2.981 30 40 CFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccccc1F 78517566 CXCILONYLXREMB-UHFFFAOYSA-N 298.383 2.776 30 40 CFEB N#CCCN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O 28918334 VHWBEEOWLADVJV-UHFFFAOYSA-N 297.358 2.548 30 40 CFEB CN(Cc1ccco1)c1ccc(C#N)cc1[N+](=O)[O-] 36774856 MTSVJIZBQCYHPN-UHFFFAOYSA-N 257.249 2.696 30 40 CFEB Cc1[nH]ncc1CCCNc1cccc(F)c1C#N 48555497 QPNKLOIWRVZKFP-UHFFFAOYSA-N 258.300 2.774 30 40 CFEB C=CCNc1nnc(SCC2(O)CCCCC2)s1 49001894 YZTOOSWHWSYXNQ-UHFFFAOYSA-N 285.438 2.923 30 40 CFEB N/C(=N\OCc1c(F)cccc1Cl)c1ccncc1 4051651 RWGFRSVAAWIFED-UHFFFAOYSA-N 279.702 2.711 30 40 CFEB COc1ccc(C(=O)/C(=C\N(C)C)n2nc(C)cc2C)cc1 8873577 XGVMRVWLJDPJIB-LFIBNONCSA-N 299.374 2.751 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 4472346 WNXCVUFVHYXPPW-XYOKQWHBSA-N 270.313 2.781 30 40 CFEB Cc1nc(CN(C#N)c2ccc(F)c(C#N)c2)cs1 96436679 UUWYWUJETVMTRS-UHFFFAOYSA-N 272.308 2.950 30 40 CFEB CC(C)CC1(/C(O)=N/S(=O)(=O)c2cccnc2)CCC1 79094516 KKCJAPIOKHSKDM-UHFFFAOYSA-N 296.392 2.943 30 40 CFEB C=CCCS(=O)(=O)N1C[C@@H](C)c2ccccc21 79108027 RKPZQOYUMWLNIY-LLVKDONJSA-N 251.351 2.516 30 40 CFEB C#CCCCCOS(=O)(=O)c1ccc(C)cc1 38241089 CKJWLEMTYAEICI-UHFFFAOYSA-N 252.335 2.504 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/Cc2ccccc2)c1O 36617833 BNVNNCYZVDDOJY-XNTDXEJSSA-N 256.261 2.920 30 40 CFEB CC1CCN(C(=O)[C@H](C)Oc2cccc(C#N)c2)CC1 40460704 FFNXKIAQSDYLTP-ZDUSSCGKSA-N 272.348 2.584 30 40 CFEB Cc1cc(C)cc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)c1 225236039 ZHQUVPHAMNJAHQ-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB CCc1ccc([C@@H]2CN(CCCC#N)CCO2)cc1 190293636 JXFQZSYZVCPHRA-INIZCTEOSA-N 258.365 2.926 30 40 CFEB COc1cc(OC)cc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095974 GQUDQWLZXUXWRU-NWDGAFQWSA-N 292.253 2.723 30 40 CFEB CC[C@@H](/C(=N/O)c1cccc(Cl)c1)S(=O)(=O)CC 96524593 FDDITVFWNSOLJN-DLGQCPFBSA-N 289.784 2.732 30 40 CFEB Cc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)ccn1 253432457 ZUMFAHTWQHEVTR-QGZVFWFLSA-N 279.343 2.840 30 40 CFEB CO[C@H](CNC(=O)c1cccc(C#N)c1)c1cccc(F)c1 96387966 QBPDIZKDAWAEPM-MRXNPFEDSA-N 298.317 2.815 30 40 CFEB CCCCOC(=O)[C@@H](C)Sc1cc(C#N)ccn1 71922140 LXQHJAYFZJVHJI-SNVBAGLBSA-N 264.350 2.777 30 40 CFEB O=C(O)/C(O)=C/C(=O)c1ccc(Cl)cc1Cl 101989214 PWPMZYKGAZFKDR-WTKPLQERSA-N 261.060 2.703 30 40 CFEB CC(=O)Nc1ccc(C(=O)/C=C/c2cccnc2)cc1 4187687 CQPVPGGETUPFSY-RUDMXATFSA-N 266.300 2.936 30 40 CFEB Cc1cc(C#N)c2c(I)c[nH]c2c1 575440974 CPBHALJSURHSBY-UHFFFAOYSA-N 282.084 2.953 30 40 CFEB Cc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 222333 GTLHZKZZXQNZTB-LZYBPNLTSA-N 267.288 2.621 30 40 CFEB C[C@H]1C[C@@H](C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 5739146 SNJSEVWIBFVQLE-PHIMTYICSA-N 259.309 2.949 30 40 CFEB Clc1cnnc(Cl)c1N/N=C/c1ccco1 4897131 CXIBAIFNHZCLPU-UUILKARUSA-N 257.080 2.822 30 40 CFEB Fc1cccc(/C=N/n2c(S)nnc2C(F)F)c1 2789734 CVNUOCMHDMIUFS-LHHJGKSTSA-N 272.255 2.526 30 40 CFEB CC1CCN(C/C(O)=N/c2nnc(C(C)C)s2)CC1 20028126 MSXNKLWIAFAJQC-UHFFFAOYSA-N 282.413 2.981 30 40 CFEB N#Cc1ccccc1NC(=O)CN1CCCCCCC1 3538879 DEBKETHFTRDVRG-UHFFFAOYSA-N 271.364 2.763 30 40 CFEB C[C@@H]1C(=O)C2=C(CCCC2=O)N2CCc3ccccc3[C@H]12 4024336 NOJZKSBIIGLAGX-GTNSWQLSSA-N 281.355 2.812 30 40 CFEB biogenic N#CC1(C(=O)N2CCC(Nc3cccnc3)CC2)CCCC1 69902607 YGZYMLWEYPQAKZ-UHFFFAOYSA-N 298.390 2.568 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 7056079 FABPVGLIJZJZSB-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C=CCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 69534577 QPDAHPVGBAOBQA-UHFFFAOYSA-N 289.310 2.508 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl 69595328 QHGWYTTYLJWDOG-GHMZBOCLSA-N 280.755 2.916 30 40 CFEB N#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCOCC1 96406427 ZTLIKIPZHYWWDY-UHFFFAOYSA-N 298.264 2.508 30 40 CFEB COC(=O)c1cc(C)nc2c1c(C#N)cn2C(C)(C)C 72334157 KPQSSPOCVFNQBF-UHFFFAOYSA-N 271.320 2.758 30 40 CFEB C=CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95455005 UYGRKLUFUQEONE-ZDUSSCGKSA-N 297.362 2.504 30 40 CFEB CSC[C@](C)(O)CNc1ccc(Cl)cc1C#N 79017131 JVNVWABPKNAWPW-GFCCVEGCSA-N 270.785 2.738 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1cncc2ccccc12 89765827 OOVCAXFEXGUMIB-LLVKDONJSA-N 256.305 2.764 30 40 CFEB COc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c(OC)c1 95095965 SRZFETUMQDEXCH-CABZTGNLSA-N 292.253 2.723 30 40 CFEB O=C1Nc2ncccc2C(=O)/C1=C/c1ccc(Cl)cc1 5771064 BEVJMNLTHGILAN-WQLSENKSSA-N 284.702 2.953 30 40 CFEB COC1=CC(=O)C([C@@H](C)c2ccccc2)=C/C1=N\O 17131250 XQQOFRGCEAIAKC-CDSOTZFASA-N 257.289 2.660 30 40 CFEB C=CCNC(=O)/C=C/c1ccc(Br)s1 8316724 SOEVUUQDCDOSKN-GQCTYLIASA-N 272.167 2.826 30 40 CFEB COCc1ccccc1CNc1ccc(C#N)cn1 26719479 FVBPMKDNVIHAGR-UHFFFAOYSA-N 253.305 2.712 30 40 CFEB C#CCOCC1CCN(C(=O)Nc2ccccc2)CC1 49028893 PGHLWYYUUAUOIE-UHFFFAOYSA-N 272.348 2.580 30 40 CFEB COc1ccc(/C=N/OC(=O)c2ccccc2)cc1 484549 XPEICBFPXRYUPR-LFIBNONCSA-N 255.273 2.886 30 40 CFEB C=CCNC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C 28233976 MBJVYGFLRVAZER-ZETCQYMHSA-N 295.692 2.727 30 40 CFEB C[C@H](NC(=O)COc1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106538396 DULQILFMXWOMET-HPZZRFSDSA-N 298.386 2.878 30 40 CFEB C#CCOc1ccc(NC(=O)N(C)[C@H](C)CSC)cc1 77466093 HGWJJLRCWNONKC-GFCCVEGCSA-N 292.404 2.914 30 40 CFEB Cc1ccc(C(=O)O/N=C(\N)c2ccccc2)cc1C 12655275 WAJWZOUJVJVNFL-UHFFFAOYSA-N 268.316 2.781 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)C[C@H]1C=CCC1 58309657 BHHLRSLTURKGKY-AWEZNQCLSA-N 254.333 2.895 30 40 CFEB CCC(CC)c1nnc(/N=C(\O)C2=COCCO2)s1 12999012 YEOSZDVLBBCGMT-UHFFFAOYSA-N 283.353 2.918 30 40 CFEB CCC[C@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 69439483 PHFCPNMZJHGOEE-MRXNPFEDSA-N 285.391 2.704 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccnc(Cl)c1 14200766 NVSCJGCJJZMPQA-UHFFFAOYSA-N 272.691 2.964 30 40 CFEB CCCC/N=C(\NCc1c(C)noc1C)N[C@H](C)CC 71804064 OKPFIUFLGXOPQS-LLVKDONJSA-N 280.416 2.925 30 40 CFEB N#Cc1ccc(CS(=O)(=O)N2CCCCCCC2)cc1 9912576 BNWMFBDZZZFAQO-UHFFFAOYSA-N 292.404 2.654 30 40 CFEB CCn1c(SCC#N)nc2sc3c(c2c1=O)CCC3 36623600 ZLCLWVVISUJODF-UHFFFAOYSA-N 291.401 2.582 30 40 CFEB N#Cc1ccc(Cn2ccc(-c3cccnc3)n2)cc1 216693969 AOUXEALHYHSYRE-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB Cc1ncc(CN(C)CCOc2ccc(C#N)cc2)s1 47259420 NTFYJLPBNALDKJ-UHFFFAOYSA-N 287.388 2.834 30 40 CFEB CN(/C(N)=N/[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 195559351 RSUZGLUDVZLFBB-CHWSQXEVSA-N 263.772 2.605 30 40 CFEB N#Cc1ccc(OCCN2CCC[C@@H](c3ncc[nH]3)C2)cc1 80958915 KQUOUOOEDKCRLS-OAHLLOKOSA-N 296.374 2.540 30 40 CFEB C=CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 198483070 MSQIOQMSRRCAAX-UHFFFAOYSA-N 296.326 2.603 30 40 CFEB CCOc1ccc(NC(=O)N(C)CCC#N)cc1C 95409744 WHQLPCATQCEHBF-UHFFFAOYSA-N 261.325 2.771 30 40 CFEB C[C@H](C#N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 72314057 VZYSCWSTZIVMJH-SSDOTTSWSA-N 282.687 2.529 30 40 CFEB C#CCNC(=O)C1c2ccccc2Oc2ccccc21 1896181 AKDRVKRWXOBBMB-UHFFFAOYSA-N 263.296 2.674 30 40 CFEB Cc1cc(C)n(/N=C\c2cccc(Cl)c2)c(=O)c1C#N 5069029 VPDMVPMHRPKBOX-NVMNQCDNSA-N 285.734 2.872 30 40 CFEB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 5108652 NPRQKIJLOYLVHD-GFCCVEGCSA-N 296.326 2.973 30 40 CFEB N#CCCOC/C(Br)=C\Br 5282306 QEDOHKZAVURHSP-GQCTYLIASA-N 268.936 2.548 30 40 CFEB O=C(/C=C\c1ccc2c(c1)CCO2)c1cccnc1 33374284 GWXMGFPGUUAJIM-HYXAFXHYSA-N 251.285 2.913 30 40 CFEB C[C@H](O)CNc1nc(-c2ccco2)c2c(c1C#N)CCCC2 20588914 KPMUFVAKGKTWFY-NSHDSACASA-N 297.358 2.885 30 40 CFEB COC(=O)c1ccc(/N=C/c2cccc(OC)c2O)cc1 294487 KDVYPSRCDMNXQP-LICLKQGHSA-N 285.299 2.938 30 40 CFEB C#Cc1cccc(NC(=O)CCc2ccccc2O)c1 23388648 XKKPHRPCNGHIHM-UHFFFAOYSA-N 265.312 2.945 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 24570763 YEBSJDGAAJCVBM-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB Cc1nnc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 43406862 BLYKBBXEQOINEW-QMMMGPOBSA-N 287.348 2.601 30 40 CFEB COc1ccc(/C=N/NCc2ccccc2OC)cc1 20761299 YUIXFPRAWSFNBA-GZTJUZNOSA-N 270.332 2.828 30 40 CFEB COc1ccccc1[C@@H](CNc1ncccc1C#N)N(C)C 44866645 MPWMTSCXSZVQFO-OAHLLOKOSA-N 296.374 2.677 30 40 CFEB CN(CCC#N)C(=O)c1ccn(-c2cccc(Cl)c2)n1 58216861 SQNLWENIAUQEGS-UHFFFAOYSA-N 288.738 2.511 30 40 CFEB C=CCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl 11566139 AAOSMDTYZGMFFS-UHFFFAOYSA-N 280.176 2.766 30 40 CFEB Cc1nc2ccccc2n1/N=C/c1cc([N+](=O)[O-])ccc1O 5026733 QRMKEGMMRPVZPD-CXUHLZMHSA-N 296.286 2.841 30 40 CFEB C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(C#N)cc1 6291370 XBZDKQAINJAUKP-GXTWGEPZSA-N 298.342 2.785 30 40 CFEB C=CCc1cccc(/C=N/Nc2ccccn2)c1O 5283187 ZQEJQILRIWFWAT-GZTJUZNOSA-N 253.305 2.962 30 40 CFEB CCCc1ccc(C#N)c(SC(C)(C)C(=O)O)n1 4693891 BMQRLRFZGXWJHM-UHFFFAOYSA-N 264.350 2.861 30 40 CFEB O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCOCC1 8940189 UPDHBZXPFZMYDV-UHFFFAOYSA-N 291.350 2.559 30 40 CFEB Cc1nn(Cc2ccc(C(C)C)cc2)c(=O)c(C#N)c1C 7384712 XKPTXJWHHBLYJQ-UHFFFAOYSA-N 281.359 2.904 30 40 CFEB C#CCN1CCC(C(=O)Oc2ccc(OCC=C)cc2)CC1 81323664 XXQAIDWPGKXZJA-UHFFFAOYSA-N 299.370 2.502 30 40 CFEB Cn1ccc2c(C(=O)N3CCC[C@](C)(C#N)C3)cccc21 96010907 DFWGLXHTUNBXJF-QGZVFWFLSA-N 281.359 2.944 30 40 CFEB Cc1c(-c2c(C#N)c(N)nc3c2CCCCCC3)cnn1C 19840758 JIDFWHQSJCXTCB-UHFFFAOYSA-N 295.390 2.903 30 40 CFEB COc1ccc(/C(N)=N/OCc2ccc(Cl)cn2)cc1 95467731 CDXMSIMEPHYMBF-UHFFFAOYSA-N 291.738 2.581 30 40 CFEB C=C(C)COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 95948945 FABGPUPRYZPPPT-UHFFFAOYSA-N 260.268 2.949 30 40 CFEB CC(C)N(C)C(=O)[C@H](C)Sc1cccc(C#N)c1 89856817 DJVUGDPGGZULQR-NSHDSACASA-N 262.378 2.906 30 40 CFEB CC[C@@](Cl)(C#N)[C@@H](c1ccccc1)N1CCOCC1 20458656 JGSIPKUUXKQROQ-HUUCEWRRSA-N 278.783 2.971 30 40 CFEB COc1ccc(/C=N\Nc2nc3ccccc3o2)cc1O 31939372 OOAQOQQMVJTXIL-SXGWCWSVSA-N 283.287 2.988 30 40 CFEB C=CCOC(=O)c1ccc(-c2ccc(N)cc2OC)o1 73640407 WWKOJPLPDFOWJN-UHFFFAOYSA-N 273.288 2.880 30 40 CFEB N#Cc1nn(-c2ccccc2F)nc1N1CCCCCC1 256048671 VJVMWGSKAGSXJI-UHFFFAOYSA-N 285.326 2.658 30 40 CFEB CC(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 170025439 DSIBMZWYVMJDAZ-UHFFFAOYSA-N 280.148 2.912 30 40 CFEB in-vitro C[C@@H](C[S@@](C)=O)Nc1ccc(C(F)(F)F)c(C#N)c1 97379234 VZABTSGFVBTMNM-RLBGWGEZSA-N 290.310 2.756 30 40 CFEB S=C(NCc1ccccc1)N/N=C1/C[C@H]2CC=C[C@H]12 34780017 ABOXPRAGRAKURS-VDXSDERCSA-N 271.389 2.603 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccccc1F 100993246 HTMBZWMHLVCFEJ-UHFFFAOYSA-N 280.343 2.851 30 40 CFEB N#C[C@@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccccn1 106867734 FVNMADWYVYEHDR-FQUUOJAGSA-N 297.358 2.555 30 40 CFEB COc1ccc(NC(=O)CS/C(C(C)=O)=C(\C)O)cc1 1944880 WZTOYZKWRTWQSX-NTEUORMPSA-N 295.360 2.745 30 40 CFEB N#Cc1ccccc1COc1cccc(C(=O)O)c1 13013836 RZXCBWFVNCPOMP-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB in-vitro C[C@@H](CC#N)N(C)C(=O)c1nccc2ccccc12 63094718 JWZNWWUXGATMGH-NSHDSACASA-N 253.305 2.609 30 40 CFEB C#CCN(Cc1ccco1)Cc1nc(-c2ccco2)no1 63298811 IVWFAQJTCOFDIU-UHFFFAOYSA-N 283.287 2.558 30 40 CFEB Cc1nc(C)n(C[C@H]2CCCN2c2cccc(F)c2C#N)n1 69453385 RNTIVRJFSQGCGK-CYBMUJFWSA-N 299.353 2.575 30 40 CFEB COC(=O)c1cccc(/N=C/c2cccn2C)c1C 409091976 WQTCTQGZNOYSFJ-MHWRWJLKSA-N 256.305 2.871 30 40 CFEB CO/C(O)=N/c1nnc(Cc2ccc(Cl)cc2)s1 4694974 NCQWBXCRHFEHHX-UHFFFAOYSA-N 283.740 2.974 30 40 CFEB CCOc1ccc2nc(NC(=N)/N=C(/C)O)nc(C)c2c1 18127043 GQIWBYLYLPUHAS-UHFFFAOYSA-N 287.323 2.660 30 40 CFEB biogenic CC(C)CCC[C@H](C)N/C(N)=N/CC1CCOCC1 170904730 YSXSGXQHYHHUHU-ZDUSSCGKSA-N 269.433 2.532 30 40 CFEB C#CCNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 72286685 RHWYLQASPZECLK-CYBMUJFWSA-N 294.807 2.773 30 40 CFEB COc1ccc(C)cc1CO/N=C(\C)c1cnn(C)c1 96298119 VKKLWYLCPQZNOM-SFQUDFHCSA-N 273.336 2.678 30 40 CFEB Cc1c(CNc2cccc(-c3nc[nH]n3)c2)cc(C#N)n1C 95437446 CHUALQUGSAGTMO-UHFFFAOYSA-N 292.346 2.602 30 40 CFEB C=CCNC(=O)Nc1cccc(-c2cnc3n2CCC3)c1 85471579 WGMKRNPEEGMXCS-UHFFFAOYSA-N 282.347 2.804 30 40 CFEB COCc1ccc(C(=O)[C@H](C#N)c2ccc(F)cn2)cc1 80419085 ZZLWWMUGGBDVKN-CQSZACIVSA-N 284.290 2.857 30 40 CFEB Cc1ccc(OCCn2c(C#N)cc(N)c2C)cc1 225861544 NRHGXFCUXAEHSS-UHFFFAOYSA-N 255.321 2.638 30 40 CFEB N#CC[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 95532255 QQRKIWOCTUQUQS-OAHLLOKOSA-N 276.295 2.938 30 40 CFEB C=CCN(Cc1ccc(C)cc1)[C@]1(C)CCS(=O)(=O)C1 575423169 YPSLLIKUVCMDTB-MRXNPFEDSA-N 293.432 2.560 30 40 CFEB O=C1C=Cc2ccccc2/C1=N/Nc1nccs1 100029799 GCBAKGGJQPMJLL-QINSGFPZSA-N 255.302 2.555 30 40 CFEB in-vitro CC(=O)Oc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1 5613400 CJAPFIVEFLDKAC-RQZCQDPDSA-N 295.298 2.532 30 40 CFEB Cc1nc(/N=C/N(C)C)sc1C(=O)Nc1ccccc1 20026667 YUCOSNPWCIXKKP-OQLLNIDSSA-N 288.376 2.925 30 40 CFEB Cc1cccc(N/N=C2\C=NN=C2c2ccco2)c1 100146689 QNSYWZLSKKESSW-SFQUDFHCSA-N 252.277 2.845 30 40 CFEB O/N=C1/C(c2ccccc2)=NN=C(c2ccccc2)/C1=N/O 104374270 QTZVSLWZEXXBAN-IKBKFCNISA-N 292.298 2.554 30 40 CFEB CC(C)CCC(=O)NCCNc1cccc(F)c1C#N 47332647 VUHQIYFRCVEYFJ-UHFFFAOYSA-N 277.343 2.662 30 40 CFEB C=CCn1c(C)nnc1SCc1cccc(C#N)c1 25378331 PWQGOEWSHLKBSI-UHFFFAOYSA-N 270.361 2.937 30 40 CFEB CCNC/C(O)=N/c1nc2c(F)c(F)c(F)cc2s1 25426391 OBZMILRVBUABBG-UHFFFAOYSA-N 289.282 2.911 30 40 CFEB Cc1ccc(NC(=O)CO/N=C(\N)CC(C)C)cc1Cl 48309899 JYTCPFATVLZQCW-UHFFFAOYSA-N 297.786 2.922 30 40 CFEB CCN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 409344044 JQIFEYYIRURYRR-XFXZXTDPSA-N 288.328 2.645 30 40 CFEB CC(Nc1ccc(N)cc1)=C1C(=O)CC(C)(C)CC1=O 6016196 HPGBRQZXDIDRGP-UHFFFAOYSA-N 272.348 2.913 30 40 CFEB C=C(Cl)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 69413782 SLPWLJKUZVWFBM-LLVKDONJSA-N 287.812 2.835 30 40 CFEB COc1ccc(CNc2ccc(N)cc2C#N)cc1 20134972 CBMCIWMHQDJSIY-UHFFFAOYSA-N 253.305 2.761 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(C#N)CCCCC1 5868466 MBHXDURQAWJVDR-ZDUSSCGKSA-N 297.358 2.668 30 40 CFEB Cc1cccc(NC(=O)COc2ccccc2/C=N/O)c1 409057727 QMJRSEWNTGGFFN-LICLKQGHSA-N 284.315 2.821 30 40 CFEB N#CCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 7365556 FGCIUYXUEVFAHJ-UHFFFAOYSA-N 254.249 2.799 30 40 CFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H]1C 97146481 SPVZJSYGPHMZMT-LBPRGKRZSA-N 275.348 2.885 30 40 CFEB CCCN/C(=N/CC)NC[C@H]1CCO[C@H]1c1ccccc1 95406382 HYFUKXBXIKIIOD-CVEARBPZSA-N 289.423 2.729 30 40 CFEB CCn1c(C)nnc1SCc1ccccc1C#N 39753766 PUHGALSCMNHWLV-UHFFFAOYSA-N 258.350 2.770 30 40 CFEB CCOC(=O)/C(=C/c1nc2ccccc2n1CC)C(C)=O 35167682 FYQZTKZOFDSNEI-ZRDIBKRKSA-N 286.331 2.592 30 40 CFEB COC(=O)[C@H]1O[C@]1(C)c1cc(Cl)ccc1Cl 85657590 ZLDORLGIWWYZLR-MWLCHTKSSA-N 261.104 2.780 30 40 CFEB Cc1cc(/N=C/c2ccc(OCC(N)=O)cc2)ccc1F 197740742 HOMDCFNFTHGXPC-DJKKODMXSA-N 286.306 2.749 30 40 CFEB COc1ccc(CNc2ccncc2F)cc1C#N 192149545 YCQNUOYFBNSHGJ-UHFFFAOYSA-N 257.268 2.713 30 40 CFEB Cc1nnc(SCCOC(C)(C)C)c(C#N)c1C 96500550 JXMVBJRWFUEBOM-UHFFFAOYSA-N 265.382 2.872 30 40 CFEB N#Cc1ncn(Cc2ccc(-c3ccccc3C#N)cc2)n1 14233941 XKUSNIHCWCWVHT-UHFFFAOYSA-N 285.310 2.737 30 40 CFEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C 16928534 XQTZKMXYGXHZMD-KAMYIIQDSA-N 268.382 2.695 30 40 CFEB CC(=O)/C(=C\c1ccc2c(c1)OCO2)C(=O)OC(C)(C)C 5225700 SWRKKLKKVOAWNB-KPKJPENVSA-N 290.315 2.729 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/Nc1ncnc2ccccc12 4536745 IMASNBBMKRMBLG-GIJQJNRQSA-N 293.286 2.984 30 40 CFEB N#Cc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 3286895 FLRPHAWMGFZMDF-GZTJUZNOSA-N 286.404 2.689 30 40 CFEB CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 25419541 SEESTHQYNVBSQA-KRWDZBQOSA-N 293.370 2.591 30 40 CFEB COc1ccccc1[C@H](C#N)NC(=O)OC(C)(C)C 22115947 KVHINSVENBJHFK-NSHDSACASA-N 262.309 2.785 30 40 CFEB O/C(=N\c1nc(C(F)(F)F)n[nH]1)[C@@H]1CC=CCC1 36396953 SVWYLUSZEOJQBO-ZCFIWIBFSA-N 260.219 2.768 30 40 CFEB N#Cc1ccccc1N1CCN(Cc2ccccc2)CC1 12608006 PNQUBESTOXBIGB-UHFFFAOYSA-N 277.371 2.880 30 40 CFEB O/C(COc1cccc2ccccc12)=N\c1ncn[nH]1 18173396 VNFFLSVSODSRKT-UHFFFAOYSA-N 268.276 2.625 30 40 CFEB Cn1cccc1/C=C1\S/C(=N/c2ccc(O)cc2)NC1=O 13759498 OPVZNTUTJJJATK-LCYFTJDESA-N 299.355 2.622 30 40 CFEB CN(C)[C@H](CNc1snc(Cl)c1C#N)c1ccco1 68658660 UCRJDNIZBJENNI-SECBINFHSA-N 296.783 2.976 30 40 CFEB CC(C)(C)OC(=O)NCCC/C(=N\O)c1ccncc1 22115894 FBOOJRZVMPVFMV-SFQUDFHCSA-N 279.340 2.565 30 40 CFEB N#CC1(C(=O)NCC2(O)CCCCCC2)CCCCC1 71911496 DAQNKKLMQKVSKP-UHFFFAOYSA-N 278.396 2.662 30 40 CFEB N#Cc1cccc(SCC(=O)Nc2ccncc2)c1 95412696 CLIISQHPXDYBFD-UHFFFAOYSA-N 269.329 2.684 30 40 CFEB Cc1ccc(CCCC(=O)N[C@@]2(C#N)CCSC2)s1 79801206 YLPZSBRSLKEVNK-CQSZACIVSA-N 294.445 2.895 30 40 CFEB CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 37502319 MMGXVZFRUICILQ-CHWSQXEVSA-N 287.407 2.902 30 40 CFEB CCCN(CCC)c1nn(-c2cccc(OC)c2)nc1C#N 256048667 VHYGXKZVONWLEI-UHFFFAOYSA-N 299.378 2.774 30 40 CFEB Cc1ccc(-c2ccc(/C=N\n3cnnc3)o2)c([N+](=O)[O-])c1 8371263 YBNDBIBSGZUNID-IDUWFGFVSA-N 297.274 2.637 30 40 CFEB C=CCOc1ccccc1CN1C(=O)C(=O)c2ccccc21 11692661 JYJZLCWEHALRDR-UHFFFAOYSA-N 293.322 2.981 30 40 CFEB C[C@H]1O[S@](=O)OC1(c1ccccc1)c1ccccc1 135720 ACONWRLGPDTDKX-CWTRNNRKSA-N 274.341 2.944 30 40 CFEB O/N=C(/Cc1ccccc1F)c1ccc(O)cc1O 20729294 PDEBWHXVCCEALV-SSZFMOIBSA-N 261.252 2.658 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCc2ccccc21 32830764 JYDCYLHRJDQGQC-KSSFIOAISA-N 299.418 2.882 30 40 CFEB C#CCn1c(C)nc(-c2ccc(Br)cc2)c1N 100761363 XLUQHOHMOWHFGI-UHFFFAOYSA-N 290.164 2.836 30 40 CFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CC1 32905206 VPJQCHGJWHZVLJ-UHFFFAOYSA-N 262.312 2.830 30 40 CFEB O=[N+]([O-])c1ccc(/C=C/C(CCN2CCCCC2)=N\O)o1 8652750 MDPQIDUNVIMHMS-LPTHAUBOSA-N 293.323 2.907 30 40 CFEB Cc1onc(C#N)c1C(=O)Nc1cccc(Cl)c1 1383439 YHDWBKBAWAPPJH-UHFFFAOYSA-N 261.668 2.760 30 40 CFEB N#CCC[C@@H](C#N)Cn1cnc2cc(F)c(F)cc21 25257573 DWPIDPPAVZHBBW-VIFPVBQESA-N 260.247 2.758 30 40 CFEB COc1ccc(OC)c([C@@H](C)NC[C@H](C#N)CCC#N)c1 26715393 SKGHCSPIYMAQDG-OLZOCXBDSA-N 287.363 2.798 30 40 CFEB CCCCCCCNCc1cnc(NCC)nc1 103596288 SZBBWNOMIZIVGU-UHFFFAOYSA-N 250.390 2.968 30 40 CFEB CCCCNC(=O)[C@H](C#N)c1ccc2ccccc2n1 89954732 MJKKLOXSDOQEMX-CYBMUJFWSA-N 267.332 2.758 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccccn2)cc1OC 32117163 MHWGQHJJPNFDGF-BQYQJAHWSA-N 269.300 2.995 30 40 CFEB NC(=O)Cn1cc(/C=N/c2ccc(O)cc2)c2ccccc21 409386998 YJIBUUGPLPZHFB-DJKKODMXSA-N 293.326 2.583 30 40 CFEB N#CCC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 517921644 ITVZGDQLEAYNDN-UHFFFAOYSA-N 268.238 2.545 30 40 CFEB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(CC#N)C2 216528551 FSRFSLXWGWWDBH-JMJZKYOTSA-N 258.159 2.605 30 40 CFEB N#Cc1cccc(Oc2nnc(Br)s2)c1 72190659 BSFOGXFNEKFAMM-UHFFFAOYSA-N 282.122 2.965 30 40 CFEB CC[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 72208069 UBMWZRIKUVTGMN-BXUZGUMPSA-N 255.358 2.813 30 40 CFEB CSc1nc(N)c(C#N)c(Cc2ccccc2Cl)n1 223665583 MJPROASWNGOVNI-UHFFFAOYSA-N 290.779 2.897 30 40 CFEB CC(C)(CCC#N)CN[C@@H]1CCN(c2ccccn2)C1 96494396 KSANQNHXXDNNPB-CQSZACIVSA-N 272.396 2.580 30 40 CFEB CC(=O)C1=C(O)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 5853241 RDHGSRZEZXHMPD-NSHDSACASA-N 287.098 2.992 30 40 CFEB N#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2 12729774 OVJYZJYKOQNSSJ-UHFFFAOYSA-N 292.386 2.870 30 40 CFEB aggregator Cc1nc(N2CCC(C)CC2)c(C#N)c(C)c1[N+](=O)[O-] 19854736 RNMCGWOIUIRLML-UHFFFAOYSA-N 274.324 2.715 30 40 CFEB COc1ccc(OC)c(Nc2ccc(C#N)cc2N)c1 35674522 KBNVACUYKXQSDL-UHFFFAOYSA-N 269.304 2.901 30 40 CFEB N#CC1(NC(=O)c2ccc(Br)cc2)CCC1 37843884 OEKCAMLQBVASSL-UHFFFAOYSA-N 279.137 2.625 30 40 CFEB N#CCCN1CCN(Cc2c(F)cccc2Cl)CC1 32679554 KZFMEJXFLSFVBP-UHFFFAOYSA-N 281.762 2.510 30 40 CFEB O=C1CCCC(=O)C1=CNc1ccc(F)cc1F 2543437 KTBVHEVOVFVEMF-UHFFFAOYSA-N 251.232 2.583 30 40 CFEB COC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1C#N 8703015 PQRJWDWPWGGONY-UHFFFAOYSA-N 297.270 2.997 30 40 CFEB C=CCn1cnnc1S[C@H](C)C(=O)c1ccc(F)cc1 48324065 NVZQZTYWAUXVAV-SNVBAGLBSA-N 291.351 2.967 30 40 CFEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 408750729 QZLLOGKNKLMEBK-SXGWCWSVSA-N 286.291 2.835 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C[C@@H](C)C#N 63747355 DKOIHLJVKGSBCP-LBPRGKRZSA-N 297.358 2.811 30 40 CFEB Cc1ccc2nc(C)c(C(=O)N[C@H](C)CC#N)cc2c1 97000144 MIJDAJNUJOEWAI-LLVKDONJSA-N 267.332 2.884 30 40 CFEB N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCC1 98013235 XSARHAMAKPYLPE-ZYHUDNBSSA-N 276.286 2.631 30 40 CFEB C#CC[C@H](CC)NC(=O)c1ccc(Br)c(O)c1 95978846 FNMYGEDUPFFDBW-JTQLQIEISA-N 296.164 2.686 30 40 CFEB O=C(O)COc1cccc(/C=N\c2ccccc2)c1 409212776 RDAHMPDDPSLSBC-YBEGLDIGSA-N 255.273 2.901 30 40 CFEB C=CCn1nnc(NCc2c(Cl)cccc2Cl)n1 32617061 KMNYSZSNIHOPKJ-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB C#CCOC(=O)c1c2c(nc3ccccc13)CCCC2 216942121 MEZUZFIJJSDIPB-UHFFFAOYSA-N 265.312 2.904 30 40 CFEB COC[C@@H](C)Oc1c(N)cc(C#N)n1Cc1ccccc1C 225877349 SNBRPGFSNHKDKY-CYBMUJFWSA-N 299.374 2.712 30 40 CFEB CC[C@@H](C#C[Si](C)(C)C)Nn1nnnc1-c1ccccc1 196088050 DJVPKVGAIMPGRM-AWEZNQCLSA-N 299.454 2.543 30 40 CFEB C[C@@H](N)[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 70175088 CZZWCAXSEMXIGF-MNOVXSKESA-N 263.772 2.775 30 40 CFEB CC(=O)Nc1ccc(/C=N\N=C\c2ccco2)cc1 5030381 CYYBEHLODNYMMO-CKOAPEAFSA-N 255.277 2.691 30 40 CFEB C=CCNC(=O)Nc1nc2c(OC)ccc(OC)c2s1 44224896 JIMRBKHYOWFEDC-UHFFFAOYSA-N 293.348 2.621 30 40 CFEB Cc1cc(C)n(Cc2ccccc2F)c(=O)c1C#N 127052 GTKHIGFXTYSOEN-UHFFFAOYSA-N 256.280 2.524 30 40 CFEB N#Cc1ccccc1N1CCCN(c2ccccn2)CC1 52189423 HUHRENDQJKLXPM-UHFFFAOYSA-N 278.359 2.670 30 40 CFEB Cn1c([C@@H](C#N)C(=O)c2ccco2)nc2ccccc21 1279904 MSCSNIHWQWHBID-JTQLQIEISA-N 265.272 2.656 30 40 CFEB O=C(O)c1cc(/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O 3154009 ZHQVYBYGNKXBNJ-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB CCCCCCCCCC[C@H](N)P(=O)(O)O 100301955 DFXYEKJCPVOHIO-LLVKDONJSA-N 251.307 2.980 30 40 CFEB C=CCOc1nc(C)c2c(c1C#N)CC(C)(C)OC2 12664613 XMPHJOJDPBMUFR-UHFFFAOYSA-N 258.321 2.678 30 40 CFEB biogenic COC(=O)Cc1ccc(OCc2ccccc2C#N)cc1 28802741 XNSRYYIOFQPFAM-UHFFFAOYSA-N 281.311 2.853 30 40 CFEB C[C@@H](C#N)CNC(=O)Cn1ccc2ccc(Cl)cc21 69617102 AHQWOLXRUNIACF-JTQLQIEISA-N 275.739 2.571 30 40 CFEB COc1ccc(C(=O)COc2cccc(C#N)c2)cc1OC 6400914 SZKQOPUZCYAALE-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB CCOc1ccccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409066660 LYTFXODLUSUQCN-MHWRWJLKSA-N 286.291 2.835 30 40 CFEB Cc1nn(C)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 80457231 QNIZQGPDEOVNMU-JTQLQIEISA-N 288.376 2.799 30 40 CFEB CCOc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C#N 96004093 JYMYAJCSGMDJGF-RYUDHWBXSA-N 273.336 2.899 30 40 CFEB CC[C@H](OC1CCCCC1)C(=O)N[C@@]1(C#N)CCSC1 96473960 HCJPOKVGYBEFJS-DZGCQCFKSA-N 296.436 2.630 30 40 CFEB CCc1cnccc1CNC(=O)c1cccc(CC#N)c1 95466202 OCQQTPOXXYOXKT-UHFFFAOYSA-N 279.343 2.640 30 40 CFEB CS[C@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 98010345 SMUQGLFTKQJWIJ-KBPBESRZSA-N 274.389 2.962 30 40 CFEB Cn1ncc2c1CC/C(=C\c1ccccc1F)C2=O 98054783 BKTHYVARGPHLNE-DHZHZOJOSA-N 256.280 2.772 30 40 CFEB N#Cc1nccnc1N1CC=C(c2ccccc2F)CC1 95944841 RMQFXHGGJLBPRB-UHFFFAOYSA-N 280.306 2.781 30 40 CFEB C=CCCO[C@@H](C)C(=O)Nc1cncc(Br)c1 95975561 ZHWBFDRQHNCBSL-VIFPVBQESA-N 299.168 2.764 30 40 CFEB C=CCOCCCC(=O)N1c2ccnn2[C@@H](C)C[C@H]1C 74719278 FEGQKZSIEDEKFA-OLZOCXBDSA-N 277.368 2.552 30 40 CFEB C=CCO[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2o1 78442121 MPVWVXXODPQMBB-MNOVXSKESA-N 270.288 2.595 30 40 CFEB C=CCN1CCC2(CCN(Cc3ccsc3)CC2)C1=O 96046813 OHDJCDNLMYIBDX-UHFFFAOYSA-N 290.432 2.749 30 40 CFEB CN(CCc1ccncc1)Cc1ccc(F)cc1C#N 95999373 XJGXHMYESAKWJT-UHFFFAOYSA-N 269.323 2.767 30 40 CFEB CCc1nnc(NCc2ccc(OC)c(C#N)c2)s1 95976646 VBIRACWFZBNKJJ-UHFFFAOYSA-N 274.349 2.593 30 40 CFEB C=C(C)C(=O)OCCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 4975630 HZCOEAIFIFURAN-QMIVOQANSA-N 262.349 2.723 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc[nH]1 5340236 XFJBSZPKBQAPJU-RIYZIHGNSA-N 289.251 2.667 30 40 CFEB Cc1ccnc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 5331125 SQHSFLGDNWFWKA-OVCLIPMQSA-N 257.249 2.754 30 40 CFEB CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 4004699 OVWYHWQRJZASLZ-LICLKQGHSA-N 280.331 2.673 30 40 CFEB Cc1ccc2c(c1)N/C(=C/C(=O)CC(C)C)C(=O)O2 100820643 HDOSJJFSGPYRKO-MDWZMJQESA-N 259.305 2.825 30 40 CFEB CCN(CC)C[C@H](C)[C@@]1(C#N)OCCc2ccccc21 1306505 ZQYXCJSGEWRXAI-WMLDXEAASA-N 272.392 2.956 30 40 CFEB C[C@@H]1CC/C(=C\C=C\N(C)C)C(=O)/C1=C/C=C/N(C)C 100315940 FZWHTLJRASFMLX-JQOBRYIWSA-N 274.408 2.989 30 40 CFEB C[C@H](C#N)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2 58182077 IRCRTINJXNUQCH-CQSZACIVSA-N 294.402 2.952 30 40 CFEB Cc1cc(C)c(C#N)c(SCC(=O)c2ccc[nH]2)n1 10267024 PATOWUZMXHZBOD-UHFFFAOYSA-N 271.345 2.873 30 40 CFEB CCSCC/C(O)=N/S(=O)(=O)c1ccc(C)s1 48518244 QJYWPSOTGIZSKT-UHFFFAOYSA-N 293.435 2.845 30 40 CFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1OC 6182243 RONMGWSPJSAIJC-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB C=CCNC(=S)N/N=C/c1ccccc1C(F)(F)F 4510506 SBOSDUQCSRPCNJ-CAOOACKPSA-N 287.310 2.689 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccsc1 4986667 UQLJFTAAEUNORT-SNVBAGLBSA-N 275.373 2.995 30 40 CFEB C(=N/Nc1ccccn1)\c1ccc(-n2ccnc2)cc1 7900206 OSHUVNBKVAOZCC-WOJGMQOQSA-N 263.304 2.713 30 40 CFEB C=CCCC(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C 84637253 DVFBWPIGOSVXRB-LBPRGKRZSA-N 284.400 2.714 30 40 CFEB CN(CCC#N)C(=O)c1cc(Cl)ccc1OC(F)F 75093778 ISAYMYOWDVYSFP-UHFFFAOYSA-N 288.681 2.927 30 40 CFEB O[C@@H](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 1536125054 NTKDZHJEWKDSCL-ZETCQYMHSA-N 266.087 2.978 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc3c(c2)OCCO3)cc1 33908269 RUQQDPKJBXRSGD-YBEGLDIGSA-N 299.286 2.812 30 40 CFEB COc1cc(C)c(NC(=O)C2(C#N)CCCCC2)cn1 225959606 NAQGBNRGGPXVAX-UHFFFAOYSA-N 273.336 2.811 30 40 CFEB CCCCCCCCNCCOCCOCCOC 100923868 QYLHTGJURBOIBS-UHFFFAOYSA-N 275.433 2.616 30 40 CFEB CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 17111480 SQUUZMFLEULGHS-UHFFFAOYSA-N 292.751 2.760 30 40 CFEB N#Cc1c(N2CCOCC2)nsc1-c1ccccc1 108638 GSZYTDUQUASKJE-UHFFFAOYSA-N 271.345 2.518 30 40 CFEB CCOC(=O)[C@@H](C#N)c1cccc(Br)c1 2530186 CCEBQHOPHOXKJV-JTQLQIEISA-N 268.110 2.619 30 40 CFEB CCOC(=O)c1ccc2c(c1)nc(SCC#N)n2CC 4829635 DRZJASDPODVSEY-UHFFFAOYSA-N 289.360 2.849 30 40 CFEB CN1CCC(=NNc2ccc(Br)cc2)CC1 6792190 QZXKLBIBRKTPLA-UHFFFAOYSA-N 282.185 2.943 30 40 CFEB C#CCOC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 54421417 PCCXJOJJPMFEGM-UHFFFAOYSA-N 292.294 2.922 30 40 CFEB Cc1nc([N+](=O)[O-])c(SCC#N)n1Cc1ccccc1 2033248 YUPALGLTKSVHKV-UHFFFAOYSA-N 288.332 2.764 30 40 CFEB N#Cc1cc(F)c(NCCC(=O)N2CCCCC2)c(F)c1 58281394 OYCYEWOPSJCVMX-UHFFFAOYSA-N 293.317 2.651 30 40 CFEB N#Cc1ccc(O[C@@H](C(N)=O)c2ccccc2)c(Cl)c1 11119813 ATCPJTNHCBBNLF-CQSZACIVSA-N 286.718 2.817 30 40 CFEB COc1ccccc1CN(C)C(=O)c1ccc(C#N)cc1 5638163 LXUVGTNZEOHGDW-UHFFFAOYSA-N 280.327 2.839 30 40 CFEB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccn1 9367685 OBABGPSRDFOURN-GFCCVEGCSA-N 281.315 2.668 30 40 CFEB COc1ccc2c(c1)CN(c1nnc(C)c(C)c1C#N)CC2 71824459 GAPOTJUQYRSUKS-UHFFFAOYSA-N 294.358 2.536 30 40 CFEB CCN1CCC(N(C)CC#Cc2ccc(F)cc2)CC1 95431458 AVRRFPMOLNUJIB-UHFFFAOYSA-N 274.383 2.593 30 40 CFEB COc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(C)nn1C 75094029 PSHKSSYVYUBRDS-LLVKDONJSA-N 299.330 2.527 30 40 CFEB N#Cc1ccc(Cn2ccnc2)n1Cc1ccccc1 78404685 IGIXJTAFMKKDEH-UHFFFAOYSA-N 262.316 2.653 30 40 CFEB C/C(=C\C(=O)c1cccnc1)Nc1cc(C)ccn1 32100665 FNNCLELFTZCFCE-FMIVXFBMSA-N 253.305 2.984 30 40 CFEB CCOc1cc([N+](=O)[O-])cc(C#N)c1OCC(C)C 225291588 PTCBUWGUIDWMFU-UHFFFAOYSA-N 264.281 2.900 30 40 CFEB CCc1noc(CC)c1C/C(O)=N/c1nc(C(C)C)n[nH]1 87254942 LRROPOONKWKTHF-UHFFFAOYSA-N 291.355 2.872 30 40 CFEB Cc1ccccc1N/N=C1\C(=O)Nc2c(F)cccc21 223759051 JBEWYGURPHMGOS-UHFFFAOYSA-N 269.279 2.902 30 40 CFEB Cc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)cccc1[N+](=O)[O-] 80437257 XTHWILICXLQXOG-LBPRGKRZSA-N 299.261 2.927 30 40 CFEB CCOC(=O)c1sc(NC(=O)C(C)C)c(C#N)c1C 145468 WSMQKOYAZZJFIW-UHFFFAOYSA-N 280.349 2.699 30 40 CFEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccccc1 70542 GTUJYWIZGOLGDY-GPILYODUSA-N 280.418 2.684 30 40 CFEB CCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C 198730 JJPUSLVKWXFTHV-UHFFFAOYSA-N 285.343 2.625 30 40 CFEB COc1ccc(C(=O)COc2ccc(C#N)cc2)cc1OC 2641316 URTUDXZOOMBXKC-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB C=C1CCN(c2ccc(Br)cc2)C1=O 1562651 YYCDXJBGUIRHBL-UHFFFAOYSA-N 252.111 2.742 30 40 CFEB N#Cc1cccc(CN2CCC(CN3CCCC3)CC2)c1 47968910 CPTODPCOBNHRNZ-UHFFFAOYSA-N 283.419 2.866 30 40 CFEB N#C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccccn1 106867731 FVNMADWYVYEHDR-XUXIUFHCSA-N 297.358 2.555 30 40 CFEB CCCCNC(=S)N(C)/N=C/c1ccc(OC)cc1 3260295 JFAMZOFXYUYJFF-LFIBNONCSA-N 279.409 2.636 30 40 CFEB CN(CCC#N)C(=O)CN(C1CC1)[C@H]1CCc2ccccc21 58179944 KXHBICQBWVCERB-KRWDZBQOSA-N 297.402 2.510 30 40 CFEB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1C#N)C2=O 3375969 SOIZEVXSILTZTP-SJKOYZFVSA-N 297.358 2.559 30 40 CFEB COc1ccc2cc(C(=O)O[C@@H](C)C#N)c(C)nc2c1 10726033 ONLFUROOZPKJAH-VIFPVBQESA-N 270.288 2.621 30 40 CFEB CCOc1ccccc1/C=N/Nc1oc(CC)nc1C#N 6830251 YYNUWXWTTMWIHU-LICLKQGHSA-N 284.319 2.953 30 40 CFEB C[C@H](CCO)Nc1ccc(Br)cc1C#N 96008543 VCRYTGLXJPNHEL-MRVPVSSYSA-N 269.142 2.504 30 40 CFEB CCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(C#N)cs1 97011591 PKUZEFJFQOGRRS-CYBMUJFWSA-N 289.404 2.773 30 40 CFEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2O 72238401 SQOTXSUGLGKCHH-GHXNOFRVSA-N 272.231 2.853 30 40 CFEB COc1ccc(C)cc1C(=O)[C@H](C#N)c1ccccn1 73971203 FLUNYSLIEIRODD-CYBMUJFWSA-N 266.300 2.889 30 40 CFEB CN(CC#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89335298 WJVUVQMRBUKMQF-HOTGVXAUSA-N 264.328 2.925 30 40 CFEB CN(C)c1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1 95096024 GQPXTMIGBKTRCF-VXGBXAGGSA-N 275.270 2.771 30 40 CFEB CO[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 91101278 HOIRCONGGWXRKE-CYBMUJFWSA-N 294.354 2.876 30 40 CFEB C#Cc1cccc(NC(=O)N[C@H](C)c2ccncc2)c1 43985802 KCJRVGZZIPPASB-GFCCVEGCSA-N 265.316 2.946 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(OCC=C)cc2)C1=O 5830763 OYPMSDXIEZFXLT-KAMYIIQDSA-N 299.351 2.921 30 40 CFEB CC(/C=C/c1ccco1)=N\NC(=S)NCC(C)C 16951642 RATZNDYRSWXWNM-IIWXPVLZSA-N 265.382 2.789 30 40 CFEB O=C(O)C#Cc1cn(-c2ccccc2)nc1-c1ccccc1 2647745 VYVBMBLZLJPVDT-UHFFFAOYSA-N 288.306 2.975 30 40 CFEB C#CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 21903278 TWYJFXBBNWRDIV-QMMMGPOBSA-N 272.131 2.510 30 40 CFEB N#Cc1cccnc1SCc1ccc(C(=O)O)cc1 22636459 ZPHXGOKPHKVPLK-UHFFFAOYSA-N 270.313 2.944 30 40 CFEB CC(=N\O)/C(=N/O)c1ccc(NC(=O)c2ccccc2)cc1 104095713 ZJFVXYOXWTVGOC-ILUNCUQESA-N 297.314 2.967 30 40 CFEB CC[C@H](C)/N=C(/N)SCCOc1ccccc1 47844010 WPLKOIOXGHJIDP-NSHDSACASA-N 252.383 2.912 30 40 CFEB in-vitro Cc1nc(S[C@H]2CCCCNC2=O)c(C#N)c(C)c1C 10273296 NEVVTFNLSIMTIV-ZDUSSCGKSA-N 289.404 2.639 30 40 CFEB N#CC1(NC(=O)/C=C/c2cc(Br)cs2)CC1 96431072 KYPVWPVZRQPGIS-OWOJBTEDSA-N 297.177 2.696 30 40 CFEB N#Cc1cc2c(cc1-c1ccc3c(c1)OCCO3)OCCO2 36559200 CBRXXVMKNHCKMV-UHFFFAOYSA-N 295.294 2.768 30 40 CFEB CC[C@@H](C)Sc1nc(N)c(C#N)c(C(F)(F)F)n1 225894327 XHLXFOZGLPYUDA-RXMQYKEDSA-N 276.287 2.840 30 40 CFEB N#Cc1ccc(N2CCCC2=O)cc1C(F)(F)F 88191987 OJVAANJECTWKPI-UHFFFAOYSA-N 254.211 2.704 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(CC)o1 96184324 MPIDIQYBZKAZOT-JKSUJKDBSA-N 260.381 2.677 30 40 CFEB CN1CC[C@H]2[C@H](CCCN2c2cccc(F)c2C#N)C1 95971012 ATNSTALBRQOFND-DOMZBBRYSA-N 273.355 2.618 30 40 CFEB CC(=O)C(=NNc1cccc(Cl)c1C)C(C)=O 586201 KYXFFIWYKGADTD-UHFFFAOYSA-N 252.701 2.594 30 40 CFEB C#CCOC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 2380548 DLUIRFWHCUVOTI-UHFFFAOYSA-N 278.617 2.936 30 40 CFEB CC(/C=C/c1ccc(Cl)cc1)=N\NC(N)=S 5618942 COWAKOZXZREIGT-SLCPPWGYSA-N 253.758 2.562 30 40 CFEB N/C(S)=N/N=C/c1ccc(OCCc2ccccc2)cc1 6061104 VNWLCAYCZYUBHQ-LDADJPATSA-N 299.399 2.887 30 40 CFEB CC[C@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 8326498 JILKTMZZUGSLIZ-SECBINFHSA-N 254.742 2.969 30 40 CFEB N#Cc1cccn1-c1sc2c(c1C(=O)O)CCCC2 223743969 XEFGOULBMLQHSG-UHFFFAOYSA-N 272.329 2.987 30 40 CFEB O=C1C=CC(=NOC(=O)c2ccc(Cl)cc2)C=C1 193496 QYQUQVGNGMMTFK-UHFFFAOYSA-N 261.664 2.548 30 40 CFEB C=CCCCOC(=O)CCC(=O)OCCCC=C 4722472 LYTLDAKHQAIDJL-UHFFFAOYSA-N 254.326 2.785 30 40 CFEB COc1ccc(/C=N/c2c(C)nn(C)c2C)cc1OC 59391867 MZFNBPSGMHUAGM-CXUHLZMHSA-N 273.336 2.805 30 40 CFEB CSC[C@@H](CCO)Nc1c(Cl)cccc1C#N 78301696 YUAPVNZHTKQTCA-SNVBAGLBSA-N 270.785 2.738 30 40 CFEB CC1=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)C=CC1=O 101028088 OTKXHKMAVARFRP-PTNGSMBKSA-N 295.747 2.555 30 40 CFEB CCOc1ccc(C#N)cc1NCc1nc(C2CC2)no1 58441759 NQNHMDHQYWYRNR-UHFFFAOYSA-N 284.319 2.829 30 40 CFEB C/N=C1\S/C(=C\c2ccc(Cl)s2)C(=O)N1C 17167451 INPZOLRPCMYRJM-PSVOIDRLSA-N 272.782 2.933 30 40 CFEB C[C@H](c1ccco1)N(C)C(=O)c1ccc(C#N)cc1 71867005 RWEBTPRZRYNJEM-LLVKDONJSA-N 254.289 2.984 30 40 CFEB CC(C)c1nn(Cc2cccc(F)c2)c(N)c1C#N 225841617 SYSVMUXMYPRUAL-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB Cc1cccc2c1NC(=O)/C2=N\c1ccc(C(=O)O)cc1 4474189 BJNMUYOXIRUJBT-UHFFFAOYSA-N 280.283 2.766 30 40 CFEB Cc1cc2c(C#N)c3[nH]c4ccccc4n3c(=O)c2c(C)n1 3846998 AJKISRAVHNUDOS-UHFFFAOYSA-N 288.310 2.818 30 40 CFEB Cc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1 116572 IHNQESCMMAGPBS-VCHYOVAHSA-N 265.316 2.527 30 40 CFEB Cc1nc(NC(=O)c2cccc(C#N)c2)sc1C 7685590 OIRCLFVFFAMCHO-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB COc1ccc2c(c1C)CC[C@]1(CO)C(C(C)=O)=CC[C@@H]21 1560142 LPRQRIGFEPDRET-WMZOPIPTSA-N 286.371 2.931 30 40 CFEB CC(C)NC(=S)N/N=C/c1cccc(C(F)(F)F)c1 3321357 DMZHNSVBZOQPSW-FRKPEAEDSA-N 289.326 2.912 30 40 CFEB O=C1ON=C(c2ccccc2)/C1=C\c1ccccc1O 100815160 SHKLSRHJZDMJDS-JLHYYAGUSA-N 265.268 2.737 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1C 78441185 ZQMOMGZXPJDUSJ-SWLSCSKDSA-N 271.364 2.888 30 40 CFEB CCOc1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 3171613 HHRXFDBMAKKRBN-UHFFFAOYSA-N 294.354 2.802 30 40 CFEB N#Cc1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1 36391632 HDKTXIZJEIFSGA-UHFFFAOYSA-N 289.331 2.812 30 40 CFEB CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 8141969 AEEOJGQACGNZDH-UHFFFAOYSA-N 299.418 2.803 30 40 CFEB CCc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1 5110641 YVMPMSSCAXMWLU-GIJQJNRQSA-N 270.332 2.901 30 40 CFEB Cc1c(/C=C/C(=O)c2ccc(C#N)cc2)cc(C#N)n1C 9364054 WRDBZBPXTJXKBI-BQYQJAHWSA-N 275.311 2.973 30 40 CFEB CC[C@@H](CO)Nc1ccc(C(F)(F)F)c(C#N)c1 95971881 WXYBIRUFRXZAFG-VIFPVBQESA-N 258.243 2.760 30 40 CFEB CC[C@H]1Cc2ccccc2CN1c1ccc(C#N)c(N)n1 516315544 NRDSWJQGUFVUAQ-HNNXBMFYSA-N 278.359 2.877 30 40 CFEB CCCSc1nc(N)c(C#N)c(CC(C)C)n1 225893188 OBKPEAAVLLDXLO-UHFFFAOYSA-N 250.371 2.631 30 40 CFEB CCc1nn([C@@H]2C=CCCC2)c(=O)c(C#N)c1CC 89282589 DPQMJTIFMFOHGK-LLVKDONJSA-N 257.337 2.521 30 40 CFEB C[C@H]1CCCCN1CCC1CCN([C@H](C)C#N)CC1 248460467 OJGVELPMILJLAX-LSDHHAIUSA-N 263.429 2.875 30 40 CFEB C/C=C\C=N/n1c(CCC)nc2ccccc2c1=O 17023967 GRUFOBAOOWKKLV-LQVNREHBSA-N 255.321 2.759 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2O)cc1 17380733 VQIJGQPVYQKSSH-ZROIWOOFSA-N 257.249 2.746 30 40 CFEB Cc1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)o1 4587311 CCFNMCDSUFVNST-CXUHLZMHSA-N 279.303 2.886 30 40 CFEB C=CCN(C)C(=O)NCCCn1ccc2ccccc21 153508504 DDJAZSXCSBUWMJ-UHFFFAOYSA-N 271.364 2.859 30 40 CFEB N#Cc1ccnc(OC[C@@H]2CCCN(C3CCC3)C2)c1 1776009480 PEJJTNRKCYRKNQ-CQSZACIVSA-N 271.364 2.597 30 40 CFEB COCc1ccccc1CNc1cc(C#N)ccn1 37763112 DSOIXEUGUDLQEH-UHFFFAOYSA-N 253.305 2.712 30 40 CFEB COc1ncc2ccn(Cc3ccccc3)c2c1C#N 34412 XXIJYZKVSDVERZ-UHFFFAOYSA-N 263.300 2.965 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/n2cnc3ccccc32)c1 527260 NWCCPXKNWSXKJM-LZYBPNLTSA-N 282.259 2.532 30 40 CFEB CCCCCCCCCCNC(=O)/C=C\C(=O)O 100921111 PSNAHWRZQOSIQE-KHPPLWFESA-N 255.358 2.884 30 40 CFEB CCCC/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505035 YWPKIDXAAJTGSJ-UHFFFAOYSA-N 280.349 2.535 30 40 CFEB O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(O)n[nH]c1N2 18200378 LLUMAVTXRNXVHR-LBPRGKRZSA-N 299.305 2.819 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(N)cc1 6820887 HPAPIFMTDJPLQS-UHFFFAOYSA-N 255.233 2.841 30 40 CFEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/O)c1O 30714776 JPHIFASRHWHUGW-OQLLNIDSSA-N 272.260 2.699 30 40 CFEB Cc1ccccc1N1CCN(c2cccnc2C#N)CC1 290473132 GYTQUIBYOLUXSV-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB N#Cc1ccc(CNC(=O)N[C@@H]2C=CCCC2)c(F)c1 96462916 MOEXXQZCKOYUIM-CYBMUJFWSA-N 273.311 2.605 30 40 CFEB CN(c1ccccc1F)S(=O)(=O)c1ccccc1C#N 50009229 SNIOHXMGSIDJJC-UHFFFAOYSA-N 290.319 2.522 30 40 CFEB C=C(C)CC#CC(C)(C)OC[C@H]1COC(C)(C)O1 5377674 AJOHGRONFKSGPC-ZDUSSCGKSA-N 252.354 2.903 30 40 CFEB c1ccc(C2=NOC[C@]3(c4ccccc4)O[C@H]23)cc1 5700523 DAOMNHVYJDEFOU-HZPDHXFCSA-N 251.285 2.715 30 40 CFEB C=C[C@H]1C[C@@H](C)C[C@@H](C)[C@@H]1c1c(O)ccn(O)c1=O 6066651 OQJADHLOEAOIGC-NOHGZBONSA-N 263.337 2.743 30 40 CFEB in-vitro CC1=CC(=O)/C(=C/Nc2ccc(C)cc2C)C(=O)O1 100111673 LFWREHCXXVVWJE-WQLSENKSSA-N 257.289 2.629 30 40 CFEB N#Cc1cccc(/C=C/C(=O)NCc2ccccc2)c1 31553307 VYUPWYWUYTXZGC-MDZDMXLPSA-N 262.312 2.888 30 40 CFEB O=C(NCc1ccccc1)/C(O)=C\C(=O)c1ccccc1 3995937 GZNLIMCJXYFCTB-LFIBNONCSA-N 281.311 2.628 30 40 CFEB N#C[C@H]1[C@@H]2CSC[C@H]1CN(Cc1ccccc1)C2 100558566 MNHXONWSQPABFI-QDMKHBRRSA-N 258.390 2.621 30 40 CFEB O=C1/C(=C/c2ccc3c(c2)OCCO3)Oc2cc(O)ccc21 34568731 ZGHCVSBYCRXULK-PXNMLYILSA-N 296.278 2.780 30 40 CFEB biogenic N#CCCN(Cc1cccnc1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 106516486 PCEKBJLPDRXDHM-BPUTZDHNSA-N 283.375 2.760 30 40 CFEB CCOC(=O)/C(=C\Nc1ccc(Cl)cc1)C(C)=O 101400285 ICKYKKPPSQRRAU-WQLSENKSSA-N 267.712 2.788 30 40 CFEB CC(=O)c1ccc[n+](CC(=O)C23CC4CC(CC(C4)C2)C3)c1 4655529 LIKSLCISUCSGJL-UHFFFAOYSA-N 298.406 2.962 30 40 CFEB CC(C)(O)C#C[C@@H](c1ccccc1O)N1CCCCC1 6720457 UVXAYLBBKRLDDY-HNNXBMFYSA-N 273.376 2.694 30 40 CFEB N#C[C@H]1CC[C@H](OC(=O)Cc2ccc(F)c(F)c2)C1 89768315 DMWXBPFYQVLAMA-QWRGUYRKSA-N 265.259 2.743 30 40 CFEB COc1ccc([C@H]2NC(SC)=NC(C)=C2C(C)=O)cc1 408731953 RCNCHWWRGBMTJO-CQSZACIVSA-N 290.388 2.922 30 40 CFEB C=CCNC(=O)c1ccc(OCC)c(COCCC)c1 224702696 JQYUYBZDAOZMNJ-UHFFFAOYSA-N 277.364 2.928 30 40 CFEB C=CCOC(=O)c1snnc1-c1ccc(F)cc1 223841747 CORZXYBCCFUNHM-UHFFFAOYSA-N 264.281 2.687 30 40 CFEB C=C(Cl)CNC(=O)N[C@H](c1nc(C)cs1)C1CC1 96440441 UBTYZXVETSLIAG-JTQLQIEISA-N 285.800 2.954 30 40 CFEB CCCNC(=O)Nc1cccc(OCCCC#N)c1 47735063 JLVXLOHVARRZMB-UHFFFAOYSA-N 261.325 2.901 30 40 CFEB CCOCCC/C(O)=N/S(=O)(=O)c1ccc(C)cc1C 48476724 ZPFWTSNFQBWOHC-UHFFFAOYSA-N 299.392 2.765 30 40 CFEB N/N=C(C(=N/N)/c1ccc2ccccc2c1)\c1ccccc1 100368619 WEWAHUJYCVJJNG-KSTNYAOJSA-N 288.354 2.866 30 40 CFEB CCOc1ccc2cc(C(=O)N(CC#N)C3CC3)[nH]c2c1 58289663 VALJYAHLOKZLOF-UHFFFAOYSA-N 283.331 2.695 30 40 CFEB COC(=O)c1ccc(NC(=S)NN=C2CCCC2)cc1 138708 NLMIQIMOPXQKCW-UHFFFAOYSA-N 291.376 2.690 30 40 CFEB C[C@@H]1CN([C@@H](C#N)c2ccc(Br)cc2)CCO1 41097161 VCIWPYYCAPRKTH-MFKMUULPSA-N 295.180 2.734 30 40 CFEB Cc1csc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 7039109 DSRNRKYMGWYUPP-SNVBAGLBSA-N 287.344 2.729 30 40 CFEB Cc1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1N 22988332 QLIUSUWIEOTKFS-UHFFFAOYSA-N 296.326 2.685 30 40 CFEB Cc1ccccc1NC(=S)N/N=C/c1ccco1 3071951 GYEMNZFJUBOBJI-NTEUORMPSA-N 259.334 2.909 30 40 CFEB N#C[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 1503394 ASDPXUZYZAVZRY-CQSZACIVSA-N 262.268 2.547 30 40 CFEB CCC(=O)[C@H](C#N)c1nnc(-c2ccccc2)s1 6788071 VKXZPRSHFCWYHK-JTQLQIEISA-N 257.318 2.791 30 40 CFEB COC(=O)c1cc(C)sc1NC(=O)C#Cc1ccccc1 6825572 ZDOCMSREECTSFY-UHFFFAOYSA-N 299.351 2.833 30 40 CFEB CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N 16351913 MDSLNQHDOWDYJT-UHFFFAOYSA-N 280.327 2.919 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2ncccc2Cl)cc1 97046943 NZFDSWHXBUWECP-UHFFFAOYSA-N 287.706 2.624 30 40 CFEB N#CC1(NC(=O)c2ccc3ncccc3c2)CCSCC1 95440090 NLFGXSRAPSXELV-UHFFFAOYSA-N 297.383 2.754 30 40 CFEB C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)C1CCOCC1 95440016 SCYFSVJZTKZBEY-ZDUSSCGKSA-N 298.386 2.726 30 40 CFEB N#CC1(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 28899348 ROQGNYPLGSVXEG-UHFFFAOYSA-N 254.211 2.948 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H](C#N)c2ccccc2)cc1 5752939 DZMINCYFARNSAZ-HNNXBMFYSA-N 287.340 2.965 30 40 CFEB O=[N+]([O-])c1ccc(/C=C\C(CCN2CCCCC2)=N\O)o1 17175772 MDPQIDUNVIMHMS-QWUFELPHSA-N 293.323 2.907 30 40 CFEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc(C)c(C)c1 40134923 XXILXTXFSKVPSH-INIZCTEOSA-N 270.376 2.730 30 40 CFEB COc1cc(Cl)c(C)cc1NC(=O)CSCC#N 1910744 KBQSSNNVHUDOIV-UHFFFAOYSA-N 284.768 2.852 30 40 CFEB aggregator Cc1ccc(NC(=O)CSCC#N)cc1Cl 1910746 LXALJGKMTCRJGP-UHFFFAOYSA-N 254.742 2.844 30 40 CFEB CCCCCCC[C@H]1C[C@@H](CSC(=N)N)OC1=O 17297473 ODNPRNWBYSQJGS-QWRGUYRKSA-N 272.414 2.905 30 40 CFEB CN(C1CCCCC1)S(=O)(=O)c1ccccc1C#N 3442429 KWSLDSQBNZEMDM-UHFFFAOYSA-N 278.377 2.511 30 40 CFEB CO/N=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 17696568 DRZJHEKPKKIDTC-RIYZIHGNSA-N 276.248 2.844 30 40 CFEB C=CCc1cc(C=O)cc(Br)c1OC 408855951 GRRBUQUXTCAAOC-UHFFFAOYSA-N 255.111 2.999 30 40 CFEB N#Cc1ccc(F)c(CN2CCC[C@@H]2Cn2cccn2)c1 69950208 LLJPFIFZTXOEKX-OAHLLOKOSA-N 284.338 2.558 30 40 CFEB NC(=S)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 6220372 CJOHFHFYZLPOLM-OMCISZLKSA-N 297.742 2.906 30 40 CFEB N#Cc1ccc(C(=O)NCCc2cccc(F)c2)cc1 15183339 JGWZOAWXSWAKLQ-UHFFFAOYSA-N 268.291 2.670 30 40 CFEB C=CCNC(=O)c1nccnc1-c1nc2ccccc2s1 8271795 XEXHKJDRFBIXHN-UHFFFAOYSA-N 296.355 2.669 30 40 CFEB Cc1ccn(Cc2nc(-c3ccco3)oc2C)c(=O)c1C#N 97114909 FTHZJOMNXZKZQT-UHFFFAOYSA-N 295.298 2.633 30 40 CFEB Cc1nc(CN(C)C[C@@H](C#N)CCC#N)nc2ccccc12 95972535 ULASTEKSTYGKBE-CQSZACIVSA-N 293.374 2.814 30 40 CFEB CCC(CC)CS(=O)(=O)/N=C(\O)C1CCCC1 79037175 SNCMCQIGDOPNKM-UHFFFAOYSA-N 261.387 2.899 30 40 CFEB Cc1ccc2cc(C#N)c(N3CCC(O)CC3)nc2c1C 35289083 GPNIZCOSJGIPBZ-UHFFFAOYSA-N 281.359 2.684 30 40 CFEB C=CCOC1C[C@H]2COC[C@@H](C1)N2Cc1cccc(F)c1 96252505 MJZMDGHWDJIBDL-SJPCQFCGSA-N 291.366 2.760 30 40 CFEB C=CCn1ncc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1C 247848406 UGDBCOZNPYYOPH-IRXDYDNUSA-N 289.423 2.505 30 40 CFEB Cc1nccc([C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)n1 585085556 FZFCXTTUPMFANV-HNNXBMFYSA-N 293.374 2.744 30 40 CFEB O=CC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 15446505 CNEFTNPXPQDBGA-ZDUSSCGKSA-N 261.321 2.624 30 40 CFEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1 100005555 XGMTZZGLFGXDPS-OBGWFSINSA-N 278.315 2.877 30 40 CFEB Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1 91278 WGHYNHCEKMDGHV-CAOOACKPSA-N 252.277 2.729 30 40 CFEB O=C(c1ccc(Cl)cc1)[C@@H]1O[C@]12C(=O)Nc1ccccc12 1616316 JGPRLTQNSPLADH-HOCLYGCPSA-N 299.713 2.769 30 40 CFEB Cc1ccc(/C=N/OCc2ccc(C(N)=O)cc2)cc1 14342082 ZYEGVYFXJBIPHX-VCHYOVAHSA-N 268.316 2.645 30 40 CFEB Cc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 7428511 FMJFYHLYCVJKOC-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB O=C(O)c1ccccc1/C=N/Nc1nncc2ccccc12 19322932 JDGPNNXHCLVJHE-VCHYOVAHSA-N 292.298 2.774 30 40 CFEB CCCOCc1ccccc1CNc1nccnc1C#N 72082206 ZOFIVDPWGITULG-UHFFFAOYSA-N 282.347 2.887 30 40 CFEB CN(C)/C=N/c1c(C#N)cnn1-c1ccc(Cl)cc1 4300533 SCUYSBKEICMDIV-CXUHLZMHSA-N 273.727 2.619 30 40 CFEB C#Cc1cccc(NC(=O)Cc2n[nH]c3ccccc23)c1 83812734 PCAYFNSWGICTFJ-UHFFFAOYSA-N 275.311 2.725 30 40 CFEB CCn1nc(Cc2ccccc2Cl)c(C#N)c1N 225829881 AARZKRDUFFLUCD-UHFFFAOYSA-N 260.728 2.601 30 40 CFEB CCCCc1sc(C(=O)OCC)c(N)c1C#N 225850063 DEBAFWKTTQSDPD-UHFFFAOYSA-N 252.339 2.721 30 40 CFEB C#CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 55127522 QKJBYRSECZFBHB-UHFFFAOYSA-N 290.322 2.500 30 40 CFEB C/C(=C\c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 98018615 DWUVBQRXKAJGNX-PKNBQFBNSA-N 258.296 2.791 30 40 CFEB Cc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 7052660 CANHFUNZBKEBQO-UHFFFAOYSA-N 272.329 2.668 30 40 CFEB C#CCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(F)c21 100877856 MTWDSBGTBDXXIL-VKAVYKQESA-N 290.363 2.949 30 40 CFEB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C#N)cc2)cc1 31098402 JBGVUDGJIFTNNL-INIZCTEOSA-N 295.342 2.722 30 40 CFEB CCCCCCC[C@@]1(C)NC(=O)N(Cc2cnoc2)C1=O 102994407 QQMMQZABXFFJCJ-OAHLLOKOSA-N 293.367 2.846 30 40 CFEB Cc1cc(C)nc(S[C@H]2/C(=N\O)[C@H]3CC[C@H]2C3)n1 100965125 VMFVXFIGYNQUBM-YLPHHKPWSA-N 263.366 2.814 30 40 CFEB O=C(OCC(F)(F)C(F)(F)C(F)(F)F)C(F)F 103542991 UPELUTNXPQLHNV-UHFFFAOYSA-N 278.070 2.628 30 40 CFEB CC/N=C1/S/C(=C/c2cccc(O)c2)C(=O)N1CC 27530329 XWRJMCPOMHARGU-HFCGUZMISA-N 276.361 2.704 30 40 CFEB CO/N=C/c1cc(Br)cc(F)c1F 114546371 MNWWSXUNSCUBHU-UUILKARUSA-N 250.042 2.708 30 40 CFEB C[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 36396266 JAPCVRWRQHTEBU-CQSZACIVSA-N 293.370 2.813 30 40 CFEB COc1ccc(-n2ccnc2S[C@H](C)C#N)cc1 11395238 XNDWEMREWHYVML-SNVBAGLBSA-N 259.334 2.885 30 40 CFEB CC(C)Oc1ncccc1CNC(=O)c1cccc(C#N)c1 48301889 VFRYTBHQUWZLEW-UHFFFAOYSA-N 295.342 2.670 30 40 CFEB CCn1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c(C)n1 6490221 LMBXEFXHDQEMER-XQRVVYSFSA-N 298.342 2.879 30 40 CFEB Cc1cccc(C2(C(=O)N(C)CC#N)CCCC2)c1 69520260 KZTYHEYDCJWBOF-UHFFFAOYSA-N 256.349 2.789 30 40 CFEB Cn1cccc1/C=N/c1ccc(N2CCOCC2)cc1 4662627 JFEPMFZFMJXIGI-GHRIWEEISA-N 269.348 2.612 30 40 CFEB N#CCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66845481 DCDNQYWBPMSMBX-CYBMUJFWSA-N 268.719 2.766 30 40 CFEB Cc1nn(C)c(C)c1/C=C/C(=O)c1cccc(O)c1 71785185 YJHZXANYIHTLAM-BQYQJAHWSA-N 256.305 2.639 30 40 CFEB CC[C@H]1CN(C)c2ccccc2CN1C(=O)C1(C#N)CCC1 95411845 ANBOWWZYDKQFBZ-HNNXBMFYSA-N 297.402 2.937 30 40 CFEB CC(C)n1ncc2ccc(NC(=O)NC[C@@H](C)C#N)cc21 95410881 KRILGAFDKMKTQI-NSHDSACASA-N 285.351 2.898 30 40 CFEB O=[N+]([O-])c1cc(/C=N/c2ccc3[nH]ncc3c2)ccc1O 35406339 LQGUAFVIMRAQSQ-VIZOYTHASA-N 282.259 2.927 30 40 CFEB C=CCNC(=O)N(CCc1cccc(F)c1)C1CC1 73998965 FKPHHFZPDRMQIP-UHFFFAOYSA-N 262.328 2.728 30 40 CFEB C=CCNC(=O)c1cc2c(ccc3ccccc32)oc1=O 36627499 RVUIIEDEXDHVGO-UHFFFAOYSA-N 279.295 2.862 30 40 CFEB C/C(=C\C(=O)c1cccnc1)Nc1ncccc1C 32100662 CQEOMYXIFKCGQU-FMIVXFBMSA-N 253.305 2.984 30 40 CFEB C[C@H](CC#N)NC(=O)c1ccc2ccc(Cl)cc2n1 84186800 AIYZSMSSFJANDY-SECBINFHSA-N 273.723 2.920 30 40 CFEB Cn1cc(C#N)cc1C(=O)N1CCC2(CCCCC2)C1 95964293 NRXCZJFYVWHOBP-UHFFFAOYSA-N 271.364 2.693 30 40 CFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@@H]1C[C@H](O)C2 254306208 GOHJOBOSPPHNQS-KHHDSSOXSA-N 290.403 2.604 30 40 CFEB Cc1cc(Br)cc(C)c1NC(=O)CC#N 20033066 YLUIVQPZSYQGQF-UHFFFAOYSA-N 267.126 2.918 30 40 CFEB CC(C)=C/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 16928451 UZALTABDZSQUPF-WYMLVPIESA-N 266.366 2.615 30 40 CFEB O=C1/C(=N\O)C[C@@H](c2ccccc2)N1c1ccccc1 17285427 YABBQMVESTWNFA-YIQZXQSLSA-N 266.300 2.995 30 40 CFEB NC(=Nc1ccc(Cl)cc1)N/C(N)=N/C1CCCCC1 1621241 WUPJXRQWQRBGOC-UHFFFAOYSA-N 293.802 2.523 30 40 CFEB CCOc1ccccc1/N=C(/NC(=O)CC)SC 1626270 PSOQGMUPRORUIE-UHFFFAOYSA-N 266.366 2.962 30 40 CFEB COc1cccc(/C=C/C(=O)CCN2CCCC2)c1OC 1724387 KPVKQTGKDLYJPS-CMDGGOBGSA-N 289.375 2.772 30 40 CFEB Cc1nsc(N2CCC(C#N)(c3ccccc3)CC2)n1 1888901079 XOUQTRKUUFYVEC-UHFFFAOYSA-N 284.388 2.908 30 40 CFEB CN(C)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 303996 BDACUAPTWKPQDP-UHFFFAOYSA-N 265.316 2.877 30 40 CFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc2c(c1)OCO2 16893617 HXPYADVNHOGEER-JYRVWZFOSA-N 293.278 2.760 30 40 CFEB biogenic,in-vitro CCOc1cc(C#N)ccc1OC(=O)c1cccc(C)n1 32909366 IKVFVOYBHVJYLU-UHFFFAOYSA-N 282.299 2.880 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1C 103502493 XMIUAAKJSOEOJD-OAHLLOKOSA-N 284.359 2.638 30 40 CFEB CC[C@@H](C#N)NC(=O)c1cccc(Cn2nc(C)cc2C)c1 69537712 LNHUOUAHMLXLEV-INIZCTEOSA-N 296.374 2.580 30 40 CFEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cccnc1 5128256 CVMYQIRXYKLILC-HWKANZROSA-N 267.284 2.749 30 40 CFEB CCOc1ncccc1C(=O)OCc1ccc(C#N)cc1 5752839 OITFWXGJNCIMPX-UHFFFAOYSA-N 282.299 2.709 30 40 CFEB C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccccc1 4898664 JRMHVEWZIRCAQR-LICLKQGHSA-N 288.314 2.724 30 40 CFEB C#Cc1cc(F)c(NC(=O)N2CCO[C@H](C)[C@@H]2C)c(F)c1 97048752 VTKWYSOJNBIAEO-VHSXEESVSA-N 294.301 2.587 30 40 CFEB N/C(=N/O)c1cc(Oc2ccccc2C(F)(F)F)ccn1 61813963 PABMGVQZFAMCAJ-UHFFFAOYSA-N 297.236 2.987 30 40 CFEB C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 96039595 LJDVDWAGLWQZMJ-IAGOWNOFSA-N 291.391 2.853 30 40 CFEB Clc1cccc(CN2CC[C@H]3O[C@H]3C2)c1Cl 242473356 FHGQDWRRFRRGBN-MNOVXSKESA-N 258.148 2.967 30 40 CFEB Fc1ccc(C#CCO[C@H]2CCCCO2)cc1F 95631868 OLNPDXCUYKLJMZ-AWEZNQCLSA-N 252.260 2.860 30 40 CFEB C=CCNC(=O)Nc1cc(-c2ccnn2C)ccc1C 390835291 JNAWNXPFPDEHMX-UHFFFAOYSA-N 270.336 2.703 30 40 CFEB C=CCNC(=S)Nc1cnn(Cc2ccccc2C)c1 2809072 FTHGWHGPNXXAOG-UHFFFAOYSA-N 286.404 2.712 30 40 CFEB CNC(=O)c1ccc(C)c(NCc2ccccc2C#N)c1 25740005 XSCFMDWBIYIRAS-UHFFFAOYSA-N 279.343 2.838 30 40 CFEB C=CCNC(=O)N(C)Cc1ccc(SC)c(OC)c1 58363936 PTZOFJQIJKHQER-UHFFFAOYSA-N 280.393 2.745 30 40 CFEB N#Cc1ccc(OCc2nnsc2Cl)cc1 12785041 OTNYUFWDZZYOOL-UHFFFAOYSA-N 251.698 2.642 30 40 CFEB CC(=O)Nc1ccc(Oc2ccc(CC#N)cc2)nc1 36391928 KJMVMAGCNIGEBB-UHFFFAOYSA-N 267.288 2.898 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)Nc1nncs1 49130361 CPIRIBWSTJWHAH-UHFFFAOYSA-N 286.360 2.514 30 40 CFEB C#CCNC(=O)NCc1sc(-c2ccccc2)nc1C 67037077 UNDFBJVLEHUFRH-UHFFFAOYSA-N 285.372 2.551 30 40 CFEB CC[C@@H](OC1CCCC1)C(=O)N(C)C1(C#N)CCC1 96005827 BWRPNAFEZKLXRT-CYBMUJFWSA-N 264.369 2.629 30 40 CFEB N#C[C@H](NC(=O)c1cccnc1Cl)c1ccsc1 95396484 ZABRTPSPMLAIGR-JTQLQIEISA-N 277.736 2.791 30 40 CFEB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 75272853 FOIRPAYCXNKQHR-NSHDSACASA-N 295.298 2.957 30 40 CFEB CC(C)Oc1ccc(C#N)cc1NC1CCN(C)CC1 97378244 OWSVYPZGKUFLBF-UHFFFAOYSA-N 273.380 2.852 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCC#N)C[C@H]21 108498845 VCUYWHZLHSWDKW-BFHYXJOUSA-N 293.411 2.525 30 40 CFEB Cc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1C 5110499 JOAAWVVLVGOBCK-QGMBQPNBSA-N 270.332 2.955 30 40 CFEB O=[N+]([O-])c1ccc(/C=C/C(CCN2CCCCC2)=N/O)o1 16952562 MDPQIDUNVIMHMS-FKHNQRRLSA-N 293.323 2.907 30 40 CFEB CCOC(=O)c1sc2nc(C)c(CC)c(C#N)c2c1N 35324065 SFEPTHZAZAHDAJ-UHFFFAOYSA-N 289.360 2.798 30 40 CFEB C=C(C)C(=O)N1C[C@H]2CCN(c3ccnc(C)c3)CC[C@H]2C1 2056224960 IYRGXHVMCUQBDO-IYBDPMFKSA-N 299.418 2.641 30 40 CFEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1ccccc1 4529920 VAWATGWXNSYOHD-ARFHVFGLSA-N 276.400 2.978 30 40 CFEB CCC[C@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 4808609 GXTWAXDCKTXFAL-BHTHQVBYSA-N 298.346 2.623 30 40 CFEB CC(C)c1nc([C@@H]2CCCN2c2ncccc2C#N)no1 75573002 GPCSRKDAYCOJJU-LBPRGKRZSA-N 283.335 2.801 30 40 CFEB O=C(Cc1ccc2c(c1)CCC2)NCC#Cc1ccccc1 42062082 CEVKOJBOTBKEJF-UHFFFAOYSA-N 289.378 2.886 30 40 CFEB Cc1ccc2nc(COC(=O)c3ccc(C#N)cc3)cn2c1 9913040 YZMLXIWUPGMAON-UHFFFAOYSA-N 291.310 2.871 30 40 CFEB C=C(C)CSc1nncn1-c1ccccc1OC 12537842 WLHNNGZFIZUABL-UHFFFAOYSA-N 261.350 2.944 30 40 CFEB O=C(Oc1ccc(/C=N/O)cc1)c1ccc(F)cc1 20423881 UBHXLOBFYILJIZ-CXUHLZMHSA-N 259.236 2.853 30 40 CFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 64926298 XDLTXCHTSMESHC-CMDGGOBGSA-N 285.303 2.841 30 40 CFEB C/C(=N\Nc1ccccn1)c1ccc(N2CCOCC2)cc1 5261904 JJXWUNMHOADVIX-XMHGGMMESA-N 296.374 2.754 30 40 CFEB Cc1c(C(=O)Cn2cnc(C#N)n2)sc2ccccc12 14144359 UYBMMKHBDQJNQH-UHFFFAOYSA-N 282.328 2.556 30 40 CFEB CC(=O)NC[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 69698700 BGVRHBVKJYHWHK-LBPRGKRZSA-N 291.782 2.564 30 40 CFEB CC(C)(C)c1nnc(NCc2cc(C#N)cs2)o1 97114464 XQHITDSWYWXYRG-UHFFFAOYSA-N 262.338 2.912 30 40 CFEB CC(C)c1ccc2nc(SCC(N)=O)c(C#N)cc2c1 35288880 GZDOZAIPYVJRKV-UHFFFAOYSA-N 285.372 2.807 30 40 CFEB O=C(NO)c1ccc(-c2ccccc2Br)o1 226290132 POLBSIWDUXDCLY-UHFFFAOYSA-N 282.093 2.828 30 40 CFEB COC(C)(C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225789647 ZBIACEIBLTYRAH-UHFFFAOYSA-N 290.363 2.957 30 40 CFEB CC(C)Cn1nc(OCc2ccccc2)c(C#N)c1N 225834569 XGPIEPDAEKQRAE-UHFFFAOYSA-N 270.336 2.572 30 40 CFEB C/N=C(/NCCCCSC)N[C@@H](C)c1ccc(C)o1 96461900 QFQZTCBHGVIGCK-LBPRGKRZSA-N 283.441 2.957 30 40 CFEB N#Cc1ccccc1SCCOC[C@H]1CCCO1 96436668 COVXHMLAUDPUBY-CYBMUJFWSA-N 263.362 2.846 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1CCCCC1 96041534 HMFKLGPOKZZONU-ARFHVFGLSA-N 293.407 2.528 30 40 CFEB C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(C)cc1 75934 DXQIOCYRQQXHLL-XMHGGMMESA-N 279.343 2.918 30 40 CFEB Cc1nn(C)c(Cl)c1/C=C/C(=O)O/N=C/c1ccco1 159962 UVNYQNOKUHEFLJ-DQICWPNBSA-N 293.710 2.565 30 40 CFEB N#Cc1cc(NC(=O)c2cc(N)nc(Cl)c2)ccc1F 51638904 ABXLFSNZSXAVBP-UHFFFAOYSA-N 290.685 2.580 30 40 CFEB N#Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1 2661928 XKLBORMRTKGRFF-UHFFFAOYSA-N 291.354 2.950 30 40 CFEB O=C(/C=C/Nc1ccc2c(c1)OCO2)c1ccco1 522316 HZDRNUJDRPHBRT-AATRIKPKSA-N 257.245 2.817 30 40 CFEB N#Cc1ccc(F)c(CN2CCO[C@@H]3CCCC[C@@H]32)c1 42251342 UILXBXZJIOXLHD-JKSUJKDBSA-N 274.339 2.841 30 40 CFEB CCCc1[nH]nc(O)c1[C@H](c1ccccc1)C(C#N)C#N 809357 HPFUZDVPMPXMLA-CQSZACIVSA-N 280.331 2.863 30 40 CFEB N#Cc1c(N)cc(N)nc1SCc1ccccc1F 36394061 CUBVTAANOMUXOC-UHFFFAOYSA-N 274.324 2.549 30 40 CFEB CC1CCC(N2CCC(N(C)CCC#N)CC2)CC1 69490694 RGSVUAZYIQTYOT-UHFFFAOYSA-N 263.429 2.875 30 40 CFEB COCC/N=C(/S)N(c1ccccc1)C(C)C 13684328 IFEWVFIMIVZVSE-UHFFFAOYSA-N 252.383 2.834 30 40 CFEB C=CCc1ccc(OCC(=O)NC2CCCC2)c(OC)c1 8945062 QBWMXUQNBLJLOU-UHFFFAOYSA-N 289.375 2.861 30 40 CFEB Cc1cc(C)c2ncc(C#N)c(N3CCOCC3)c2c1 96426876 QIKFETMWJHPBBW-UHFFFAOYSA-N 267.332 2.560 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1c[nH]c2nccc(Cl)c12 89567380 ZSNWVTUVLUFUMK-VIFPVBQESA-N 290.754 2.838 30 40 CFEB Cc1cc(N2CCc3ccccc32)ncc1/C=N/O 72223933 RSEBMNWMABBZBO-LICLKQGHSA-N 253.305 2.892 30 40 CFEB CCN(CC)c1nc2c(c(C#N)c1C#N)CCCCC2 35323808 HAFAFCXAETXRTA-UHFFFAOYSA-N 268.364 2.940 30 40 CFEB C#CCOC(=O)c1ccc2oc(-c3ccncc3)nc2c1 73634106 FZUWORWWNCZODY-UHFFFAOYSA-N 278.267 2.680 30 40 CFEB C=CCN1CCN(C(=O)c2cccs2)Cc2cccnc21 96060961 AIFCQIOHLBMPFZ-UHFFFAOYSA-N 299.399 2.792 30 40 CFEB C[C@@H](CNc1ncc(C#N)cc1Cl)CC1(C)OCCO1 71920605 HHGZIWISZQROSN-SNVBAGLBSA-N 295.770 2.808 30 40 CFEB C=CCO[C@@H]1CCN(C(=O)c2cccc3cc[nH]c23)C1 96010757 XXVONZLLEBSWKC-CYBMUJFWSA-N 270.332 2.585 30 40 CFEB CCOC(=O)C(=O)[C@H](C#N)c1cccc2ccccc12 1646394 IOESGSLKJQUCQW-CQSZACIVSA-N 267.284 2.579 30 40 CFEB C=CCN1C(=O)S/C(=C\c2ccccc2O)C1=O 3203714 UZHVWBHAHRVWIX-FLIBITNWSA-N 261.302 2.615 30 40 CFEB Cc1cc(C)c(NC(=O)CNc2ccc(C#N)cn2)c(C)c1 24528658 PJFKULWNMCDREE-UHFFFAOYSA-N 294.358 2.929 30 40 CFEB C[C@@H](OCC(F)(F)F)C(=O)Nc1sccc1C#N 40093013 BZUFMFWFWNLPHZ-ZCFIWIBFSA-N 278.255 2.526 30 40 CFEB O/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1 101814853 MQJBJLZQNUUQDB-HGAGMUQNSA-N 276.315 2.504 30 40 CFEB CCOc1ccc(NC(=O)[C@@H](C#N)Cc2cccnc2)cc1 419756 QZNHMZWARZHAPJ-CQSZACIVSA-N 295.342 2.801 30 40 CFEB N#CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 58314713 PKYAIOCBTCDPSY-ZDUSSCGKSA-N 268.320 2.787 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(O)n[nH]c1N2 18195435 UAOXGXLKLNJPEG-GFCCVEGCSA-N 299.305 2.819 30 40 CFEB N#Cc1ncn(Cc2ccc(Cl)c3cccnc23)c1C#N 97050326 OROZQVZXLMQTFR-UHFFFAOYSA-N 293.717 2.876 30 40 CFEB Cc1ccccc1CN(C)C(=O)COc1ccc(C#N)cc1 9387578 PNVMWNPNFWUMPR-UHFFFAOYSA-N 294.354 2.904 30 40 CFEB COCc1ccc([S@](=O)CCC(C)(C)C#N)cc1 123502358 XZLZLYZFJGNTFX-SFHVURJKSA-N 265.378 2.880 30 40 CFEB N#Cc1cc(N)c(Oc2ccccc2)n1C[C@H]1CCCO1 225878723 FAMLJBQLRXNGTD-CQSZACIVSA-N 283.331 2.913 30 40 CFEB CC1(C)OB(c2ccc(C(F)(F)F)cc2O)OC1(C)C 206118109 KRCYWSJOSUEADP-UHFFFAOYSA-N 288.074 2.710 30 40 CFEB C[C@@H]1C/C(=N\NC(=S)NC[C@H]2CCCO2)CC(C)(C)C1 21763011 XNDXWFLGUJGCRH-QVNPBHGOSA-N 297.468 2.832 30 40 CFEB COc1cc(C)c(NC(=O)C(C)(C)C#N)cc1OC 78743837 GQDRIEGLJWCVRY-UHFFFAOYSA-N 262.309 2.501 30 40 CFEB C#CCn1c([C@@H]2CC(=O)N(CCCC)C2)nc2ccccc21 12627920 GVCTWIUPWLNSHX-CQSZACIVSA-N 295.386 2.786 30 40 CFEB COc1ccccc1CNC(=O)Nc1ccc(C#N)cc1 36392323 FGEIATGVLLWLLE-UHFFFAOYSA-N 281.315 2.889 30 40 CFEB N#Cc1cccnc1N1CCC[C@H]1c1ccccn1 48962552 ZLJPFWIRTROTNQ-AWEZNQCLSA-N 250.305 2.690 30 40 CFEB C=CCn1c(SCC(=O)NC(C)C)nc2ccccc21 5618941 LMEVKDCICYOWFD-UHFFFAOYSA-N 289.404 2.839 30 40 CFEB C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(N)=O 97085756 YGEZEHJRDOIDQM-LLVKDONJSA-N 281.315 2.636 30 40 CFEB N#Cc1cccnc1N[C@@H]1CCOC2(CCCC2)C1 95425689 CBQGCPALVTWNHT-CYBMUJFWSA-N 257.337 2.857 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@H](CS)C1 71485017 ZJZDNKRSRWNIEQ-ZDUSSCGKSA-N 265.378 2.965 30 40 CFEB CCn1nc(OCc2ccc(Cl)cc2)c(C#N)c1N 225830182 YPWDVLKZGNNAEO-UHFFFAOYSA-N 276.727 2.589 30 40 CFEB N#Cc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 53298372 WTQVEWVEMJJXEE-CHHVJCJISA-N 263.252 2.880 30 40 CFEB Cc1ccc(/N=C\c2ccc(OCC(N)=O)cc2)cc1 571255 YPYQABLFKQXBDI-ZDLGFXPLSA-N 268.316 2.610 30 40 CFEB CCCCC[C@H](/C=N/N)C(O)(C(F)(F)F)C(F)(F)F 5783347 WAESTWWBMWLUAV-IAZQARKFSA-N 294.239 2.983 30 40 CFEB N#Cc1cnc(SCc2ccccc2Cl)nc1N 421363 LPXYEEQONZFMCN-UHFFFAOYSA-N 276.752 2.876 30 40 CFEB CC(C)c1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1 19118471 ZFMOBKNMVOXMMZ-UHFFFAOYSA-N 279.299 2.918 30 40 CFEB Cc1ccc(N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 853977642 QDDQLOAENHWFIG-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB Cc1sc(NC(=O)c2cccnc2)c(C#N)c1C 2765483 ZZFMHRMKXHIRRT-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB C=CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20453376 UWVIICDKUDWCNI-UHFFFAOYSA-N 289.356 2.943 30 40 CFEB N#Cc1cccc(NCC(=O)N2CCc3ccccc3C2)c1 12537516 NZBHUFSCFSTVHK-UHFFFAOYSA-N 291.354 2.555 30 40 CFEB CC[C@@H](C)NC(=O)[C@@H](Sc1cc(C#N)ccn1)C(C)C 77909052 GOSXGFUFYURSRR-RISCZKNCSA-N 291.420 2.985 30 40 CFEB O=C(/C=C/c1cccnc1)c1cccc(N2CCOC2=O)c1 58230282 SYSOHOQJDRIMEI-VOTSOKGWSA-N 294.310 2.934 30 40 CFEB CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(C#N)cc1 58208820 XWGOQAVJLRKANL-SCOAYWHSSA-N 284.359 2.599 30 40 CFEB CC(C)(C)n1nnnc1SCc1ccc(C#N)cc1 27808467 DXYQUTOTZPHQOR-UHFFFAOYSA-N 273.365 2.592 30 40 CFEB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C#N)cc1 48610714 JXXVANKMHQAHEC-UHFFFAOYSA-N 286.356 2.524 30 40 CFEB N#Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 13012352 DNQWEIAIBREQDG-KRWDZBQOSA-N 292.338 2.772 30 40 CFEB C[C@@H]1c2cccn2CCN1Cc1ccc(C#N)cc1 15415642 YDDROYRYVQHJAN-CYBMUJFWSA-N 251.333 2.937 30 40 CFEB N#CCN(Cc1cc(C#N)ccc1F)C1CCCC1 80215009 PHXHDOPMERORIH-UHFFFAOYSA-N 257.312 2.966 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 409072889 UFCLTLBERSVASE-XYOKQWHBSA-N 291.328 2.623 30 40 CFEB Cc1nc(C(=O)OCc2ccoc2C)ccc1C#N 73536245 SGBHPOOUIRABDQ-UHFFFAOYSA-N 256.261 2.520 30 40 CFEB COc1cc(C#N)cc(N)c1OCc1cccc(F)c1 223706455 BLONWANJNRZJPS-UHFFFAOYSA-N 272.279 2.867 30 40 CFEB CCN(C(=O)c1ccncc1F)c1ccc(C#N)cc1 89969446 MXJRVKKLQQINBI-UHFFFAOYSA-N 269.279 2.759 30 40 CFEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1O 5517603 ITZPEIMZOKETGZ-UHFFFAOYSA-N 296.326 2.560 30 40 CFEB N/C(=N/OC(=O)Nc1ccccc1)c1ccccc1 5759622 CPDMYYDQZRVVEK-UHFFFAOYSA-N 255.277 2.556 30 40 CFEB COc1cc(C#N)ccc1OCCOc1ccc(C#N)cc1 12784761 IELDQRUJVSOBIY-UHFFFAOYSA-N 294.310 2.896 30 40 CFEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 14164806 SFTZXQPWOCEKQD-MGPLVRAMSA-N 294.358 2.855 30 40 CFEB N#Cc1ccc(-c2cnc(N3CCOCC3)s2)cc1 16400552 FFISKZOFQBDWCU-UHFFFAOYSA-N 271.345 2.518 30 40 CFEB Cc1c(/N=C2/CCCCCN2)c(=O)n(-c2ccccc2)n1C 16776866 VUUWAXYMDDMJEE-UHFFFAOYSA-N 298.390 2.678 30 40 CFEB CCCc1nn(Cc2ccccc2Cl)c(N)c1C#N 127812743 QPARVCPTUXJDJW-UHFFFAOYSA-N 274.755 2.991 30 40 CFEB N#Cc1cc2ccccc2nc1SCC(=O)N1CCCC1 1330996 KWGUOSYEAHVBPJ-UHFFFAOYSA-N 297.383 2.821 30 40 CFEB O/C(=N\c1ncn[nH]1)C1(c2ccccc2)CCCC1 18194397 SLRUAOTXRBMLMF-UHFFFAOYSA-N 256.309 2.905 30 40 CFEB Cc1ccc(C)c(/N=C/c2c(CO)cnc(C)c2O)c1 18137850 QDUZQQYQCVQPJL-QGMBQPNBSA-N 270.332 2.955 30 40 CFEB C[C@@H]1CCc2onc(C(=O)Nc3cccc(C#N)c3)c2C1 20572133 AAEXNJOPFFNKOQ-SNVBAGLBSA-N 281.315 2.923 30 40 CFEB C=C(C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 8909352 XLIYOSIDPDMDHA-UHFFFAOYSA-N 287.344 2.910 30 40 CFEB CCC[C@H](C#N)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 71924368 KJHQHADSEPESJJ-LLVKDONJSA-N 275.352 2.510 30 40 CFEB CCOc1ccc2cc(C(=O)NC3(C#N)CCC3)[nH]c2c1 65566028 GUBBBYIBIAVWME-UHFFFAOYSA-N 283.331 2.743 30 40 CFEB Cc1ccc(OCc2ccc(C#N)cc2)c([N+](=O)[O-])n1 5970409 FECVCOAMIAJCAK-UHFFFAOYSA-N 269.260 2.749 30 40 CFEB C=CCC[C@@H](O)CN1CCC(Nc2cccc(C)n2)CC1 95966206 OISKBFAWVZFTCQ-MRXNPFEDSA-N 289.423 2.593 30 40 CFEB Cc1nc2c3ccccc3nc(SCCC#N)n2n1 9938001 FXNBCIDGHTUEGN-UHFFFAOYSA-N 269.333 2.592 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 75144237 MFUKWPILENZJCX-SNVBAGLBSA-N 287.319 2.575 30 40 CFEB N#CCc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716616 RMTPXNWMERQECX-UHFFFAOYSA-N 273.679 2.722 30 40 CFEB Cn1c([C@H](C#N)c2ncccc2[N+](=O)[O-])nc2ccccc21 1653901 KTJOWQZBNLVKRR-SNVBAGLBSA-N 293.286 2.532 30 40 CFEB biogenic COc1ccc(C(=O)/C=C/NCc2cccnc2)cc1 32100080 QOLGSFWPJSKSMG-CSKARUKUSA-N 268.316 2.576 30 40 CFEB CCOc1ccc2c(c1)CN(c1ccc(C#N)cn1)CC2 58178194 AEWORJQVGLBFGA-UHFFFAOYSA-N 279.343 2.915 30 40 CFEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2 5705986 VWPNXOAXLXWARP-CPUCHLNUSA-N 274.384 2.732 30 40 CFEB Cc1cc(Oc2ccc(C#N)cc2Cl)n2ncnc2n1 22019634 ZXBQHJIRLPVTMX-UHFFFAOYSA-N 285.694 2.750 30 40 CFEB C#CCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 134755234 GDMIVBWTKFVKKN-CQSZACIVSA-N 291.350 2.771 30 40 CFEB C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 32889179 SCYSWQUWJYNWCA-NSHDSACASA-N 294.310 2.778 30 40 CFEB CCC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 32930688 IUEVTCOKAFLTOV-UHFFFAOYSA-N 272.226 2.848 30 40 CFEB N#CC1(C(=O)N2CCc3ccccc3C2)CCCC1 41946730 YFNDGJBJBUJBQV-UHFFFAOYSA-N 254.333 2.655 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccc(OC)c(OC)c1OC 57157828 WWJUAQTTXIMWLF-UHFFFAOYSA-N 293.363 2.751 30 40 CFEB CN(C/C(O)=N/c1nncs1)[C@@H]1CCc2ccccc21 45810576 CHSPQRSZXYMFPG-GFCCVEGCSA-N 288.376 2.745 30 40 CFEB N#Cc1ccc(NCC(=O)NCc2cccc(Cl)c2)cc1 8777698 SAWSVZNTHPMLEV-UHFFFAOYSA-N 299.761 2.940 30 40 CFEB COC(=O)c1cccc(OCc2ccc(C#N)cc2)c1 5407748 NHNKMGDEPNUWGW-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCCCCC1 7378267 YRSQMISWSFBTNW-CYBMUJFWSA-N 271.364 2.761 30 40 CFEB C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccncc1 97084036 ZZWKLOAKNLOGFJ-LLVKDONJSA-N 255.296 2.943 30 40 CFEB Cn1nnc2cc(/C=C/C(=O)c3ccc(C#N)cc3)ccc21 72292662 AXUNYQOKEYMKKM-WEVVVXLNSA-N 288.310 2.736 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@@H]1CO 78665949 DBCSYCDFEOPKOG-GHMZBOCLSA-N 299.296 2.935 30 40 CFEB N#Cc1ccc([N+](=O)[O-])cc1NCCc1ccc(O)c(O)c1 85689437 BLJGLVWQVYTVET-UHFFFAOYSA-N 299.286 2.532 30 40 CFEB COc1ccc(C(=O)/C=C/Nc2ccncc2)cc1OC 32194260 JUZUQWHJLJAWAL-JXMROGBWSA-N 284.315 2.907 30 40 CFEB Cn1cc(/C=N\c2ccccc2)c2ccncc2c1=O 36624738 BQFMIDKAIXAOPX-NVMNQCDNSA-N 263.300 2.684 30 40 CFEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)NO)o1 226290432 QTDVRCODWDUPKD-QPJJXVBHSA-N 288.259 2.682 30 40 CFEB N#Cc1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 97200505 GRNAZCYYQQQGPR-KRWDZBQOSA-N 292.386 2.887 30 40 CFEB C=CCC[C@@H](O)CN1CCC(OC(C)(C)C)CC1 96473774 OJHOJXWYFHYFNV-CYBMUJFWSA-N 255.402 2.593 30 40 CFEB C=CCNC(=O)COc1ccc2cc(C(C)=O)ccc2c1 96452654 FJAZRMKHYIINSY-UHFFFAOYSA-N 283.327 2.723 30 40 CFEB C=CCOCc1ncn2c1CN(Cc1ccco1)CCC2 96058988 VBDIGIFZLNPCHE-UHFFFAOYSA-N 287.363 2.585 30 40 CFEB COc1cccc(-n2nc(C#N)c(N3CCCCCC3)n2)c1 256046108 CSFPXYWOCQBNCU-UHFFFAOYSA-N 297.362 2.528 30 40 CFEB N#Cc1cccc(OCC(=O)c2ccc3c(c2)CCO3)c1 58481430 ZXTJOQUYIPBLET-UHFFFAOYSA-N 279.295 2.755 30 40 CFEB CCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 211225009 CWDGMXVXGNDECH-UHFFFAOYSA-N 262.158 2.522 30 40 CFEB CN(C1CCCCCC1)S(=O)(=O)c1cccc(C#N)c1 22130774 WNZJVOCZFWCVPZ-UHFFFAOYSA-N 292.404 2.902 30 40 CFEB N#C[C@H](C(=O)c1ccc2c(c1)COC2)c1ccccn1 50205755 TZGINNXCMGEGFP-AWEZNQCLSA-N 264.284 2.602 30 40 CFEB C[C@H]1CC/C(=C\C=C\N(C)C)C(=O)/C1=C/C=C/N(C)C 100315944 FZWHTLJRASFMLX-QYYCMFAFSA-N 274.408 2.989 30 40 CFEB CO/N=C/C(=C\Nc1ccc(C(F)(F)F)cc1)[N+](=O)[O-] 100915352 HYVMZXYPMHTQNG-NHXMMFCVSA-N 289.213 2.868 30 40 CFEB Cc1cc(C)cc(C(=O)[C@@H](C#N)C(=O)C2CCC2)c1 102135193 UOBBGFLNAFXHET-AWEZNQCLSA-N 255.317 2.995 30 40 CFEB COc1cc(CNCc2ccc(C#N)cc2)cc(OC)c1 37505855 GQSPKEFYRZSAFA-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2 106846130 WTNTWCSMVXJETF-IACUBPJLSA-N 264.394 2.617 30 40 CFEB CSc1ncccc1C(=O)NCC#Cc1ccccc1 24927420 WXXXKTJBMNHWMA-UHFFFAOYSA-N 282.368 2.585 30 40 CFEB C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC#N 107240018 APAKAHYDMCQKBN-MRVPVSSYSA-N 271.147 2.812 30 40 CFEB C=CCn1c(N)nnc1SCc1ccc(Cl)cc1 45022913 MZCOFIJAWMXFNN-UHFFFAOYSA-N 280.784 2.992 30 40 CFEB C=CCOc1ccccc1C(=O)Nc1cccnc1 36397305 OODBKQSMBRLEQT-UHFFFAOYSA-N 254.289 2.899 30 40 CFEB C=C(C)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 58918690 RNTWGGLMPZZIOI-CQSZACIVSA-N 274.412 2.760 30 40 CFEB COc1ccc(CN(C)C(=O)c2cccc(C#N)c2)cc1F 12910340 XIAPSYRXLPDVJV-UHFFFAOYSA-N 298.317 2.978 30 40 CFEB COc1ccc(S[C@@H](C)C(=O)N(CC#N)C2CC2)cc1 49425892 LQIJGUHNIWSKLC-NSHDSACASA-N 290.388 2.690 30 40 CFEB CCCC/N=C(\S)N(C)/N=C/c1ccccc1C(=O)O 8580056 BOBXRLCTTBGSCD-MHWRWJLKSA-N 293.392 2.736 30 40 CFEB Cc1cnn(C[C@@H]2CCCN2Cc2ccccc2C#N)c1 70040503 ZCXLYIDNLYSRAI-KRWDZBQOSA-N 280.375 2.728 30 40 CFEB Cc1csc2nc(CNc3ccc(C#N)cc3)cc(=O)n12 9379074 SWULBMZHPOTKND-UHFFFAOYSA-N 296.355 2.548 30 40 CFEB N#CCCCS(=O)(=O)Nc1ccccc1OCC1CC1 72293464 YSIOAHHRRNAACJ-UHFFFAOYSA-N 294.376 2.521 30 40 CFEB C=C(C)CN(CC)C(=O)Nc1cccc(-c2ncn(C)n2)c1 97163484 VIILOJAHVFHFIA-UHFFFAOYSA-N 299.378 2.912 30 40 CFEB CN/C(=N/c1ccc(C(=O)OC)cc1)c1ccccc1 35728638 DCQCUCKRQHUYJU-UHFFFAOYSA-N 268.316 2.771 30 40 CFEB N#Cc1ccccc1CO/N=C/c1ccc2c(c1)OCCO2 408596112 POEOJLABUSOWOS-YBFXNURJSA-N 294.310 2.880 30 40 CFEB C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 74673362 DHOYVORKWUCNRL-LBPRGKRZSA-N 292.427 2.576 30 40 CFEB C=C(C)CN(C)C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC 195577755 MIKVUMSUBZXPKT-ZFWWWQNUSA-N 289.375 2.842 30 40 CFEB C=CCOCc1cncc2c1CCN(CC1CC1)C2 96059296 IGXBSWHQFIPQKB-UHFFFAOYSA-N 258.365 2.552 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21 254745028 HZCOEAIFIFURAN-QKGCVVFFSA-N 262.349 2.723 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2ncccc12 1775973204 JYDDBWCXIGNEFC-TXEJJXNPSA-N 252.321 2.712 30 40 CFEB C#CCN(Cc1cccc(C)n1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101376120 VKCOIXZKHKNTMO-YQQAZPJKSA-N 280.371 2.564 30 40 CFEB N#Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 38777 FLZXFSVFNRKBNP-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB O=C1C=C([C@H](O)c2ccccc2)C(=O)c2ccccc21 1689041 QZUXQFHABMIUOY-MRXNPFEDSA-N 264.280 2.726 30 40 CFEB CCOC(=O)c1ccccc1N/C=C1\CCCC1=O 4312802 XWCDWPHWMXVTEL-ZHACJKMWSA-N 259.305 2.912 30 40 CFEB C=CCOc1ccc(CNCCCOCC)cc1OC 6536816 BWEVDXWENGSFAA-UHFFFAOYSA-N 279.380 2.776 30 40 CFEB C/C(=N\O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643606 OUWXUNLUNBWFDT-WOJGMQOQSA-N 294.310 2.895 30 40 CFEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CC(C)C)cc1 103504537 LDVHEOZDUMDWHL-AWEZNQCLSA-N 272.348 2.942 30 40 CFEB C[C@@H]1CCCCN1C[C@@H]1CCCN(CCCC#N)C1 71905289 YLWDVPGPBVQFKC-HZPDHXFCSA-N 263.429 2.877 30 40 CFEB CCC(=O)Nc1cccc(C#Cc2ccccn2)c1 12536975 BVIUSOJMSZBSDU-UHFFFAOYSA-N 250.301 2.830 30 40 CFEB N#Cc1cccc(CNC(=O)NCc2cccc(F)c2)c1 42326970 ZTCXWVPWIWDCFU-UHFFFAOYSA-N 283.306 2.697 30 40 CFEB C[C@H](C#N)CN(C)C(=O)Nc1cccc(Cl)c1 42749056 CGYSXWPDICBADB-SECBINFHSA-N 251.717 2.963 30 40 CFEB COc1ccc(C[C@@H](CC=O)NC(=O)OC(C)(C)C)cc1 35941084 VFSNUHRYVMWDSJ-CYBMUJFWSA-N 293.363 2.720 30 40 CFEB C[C@H]1CCCN(CC(=O)Nc2c(C#N)oc3ccccc23)C1 44875138 UERDDUAXYQLQCC-LBPRGKRZSA-N 297.358 2.975 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NOCc1ccccc1 8777724 RLIWIFKBPOKRIY-CYBMUJFWSA-N 296.326 2.574 30 40 CFEB N#Cc1ccc(COc2ccc3c(c2)OCO3)cc1 6128668 RNRYAMRCQDQETI-UHFFFAOYSA-N 253.257 2.866 30 40 CFEB COCCn1c(S[C@H](C)C#N)nc2ccccc21 6609847 YJJZFBOPMCSVRH-SNVBAGLBSA-N 261.350 2.687 30 40 CFEB N#Cc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 4921503 LLWQWJHITCPZEG-LICLKQGHSA-N 265.272 2.702 30 40 CFEB N#Cc1ccccc1N1CCN(c2ccccc2)CC1 15584418 WKSDMLKROXZEDP-UHFFFAOYSA-N 263.344 2.885 30 40 CFEB Cc1cc(CN(C)c2nc3c(cc2C#N)CCCC3)no1 91429201 ZGJDSJDAODAHET-UHFFFAOYSA-N 282.347 2.765 30 40 CFEB S=C(N/N=C/C(Cl)=C\c1ccccc1)NC1CC1 84515123 ZYHABVPJDXGUBZ-UMPOCWKLSA-N 279.796 2.879 30 40 CFEB Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)n1 41123280 UVZOGBVTHKFSLB-AWEZNQCLSA-N 296.330 2.617 30 40 CFEB Cc1ccnc(N2CCC(C#N)(c3ccccc3)CC2)n1 1888901332 SJCYMCFLVBSFES-UHFFFAOYSA-N 278.359 2.847 30 40 CFEB CN(Cc1ccc(Br)o1)C[C@H](C#N)CCC#N 30536921 BKGKXMWLZHVVBD-JTQLQIEISA-N 296.168 2.917 30 40 CFEB N#CC1(NC(=O)CNc2ccccc2)CCCCCC1 40490073 VDAKJHHRSUUIDD-UHFFFAOYSA-N 271.364 2.831 30 40 CFEB CCOC(=O)c1[nH]c2ccccc2c1/N=C/N(C)C 100523866 MPUAFDKJGMQTBX-OQLLNIDSSA-N 259.309 2.566 30 40 CFEB C=C(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F 2525785 BXQDKRCRACGUPL-UHFFFAOYSA-N 272.091 2.846 30 40 CFEB C=CCc1c(O)c2c(c3oc(=O)cc(C)c13)C[C@@H](C)O2 1619006 YPWJPUFMLLHGQD-SECBINFHSA-N 272.300 2.859 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCc2ccccc21 32830766 JYDCYLHRJDQGQC-KBXCAEBGSA-N 299.418 2.882 30 40 CFEB N#CCN(CC#N)C(=O)c1cc2c(s1)CCCCCC2 57684092 NUCRCXKCAALBDS-UHFFFAOYSA-N 287.388 2.896 30 40 CFEB COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N+](C)=C/C3=N\O 103837134 PMTMKAHKRSSPAZ-HFTRVMKXSA-O 299.394 2.605 30 40 CFEB Cn1cc([C@H]2CCCN2Cc2ccc(C#N)cc2F)cn1 69778849 SVAHMSJFUSORLA-MRXNPFEDSA-N 284.338 2.768 30 40 CFEB N#CCN1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 65466211 VKYGWSDTSVKOBA-AWEZNQCLSA-N 285.372 2.707 30 40 CFEB COc1ccc(CN(C)c2ccc(C#N)cn2)cc1OC 15544325 FMETVLRFJZHZHJ-UHFFFAOYSA-N 283.331 2.607 30 40 CFEB COC(=O)c1[nH]cc(-c2ccccc2)c1/N=C/N(C)C 15829499 DCAGVMYMNDDJKG-LICLKQGHSA-N 271.320 2.690 30 40 CFEB C=CCCO[C@H](C)C(=O)OCC#Cc1cccc(OC)c1 72295175 GNMQUGVLCWMEHH-CQSZACIVSA-N 288.343 2.571 30 40 CFEB C=CCC(CC=C)C(=O)NCCNc1ccccc1 84638106 IZLDFXKYRSKMBM-UHFFFAOYSA-N 258.365 2.983 30 40 CFEB CCO[C@@](C)(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1 225836191 BZEIJLYEQUCSLL-MRXNPFEDSA-N 288.347 2.711 30 40 CFEB C=C[C@@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 96494733 DXUFBSHRQJROCJ-MRVPVSSYSA-N 272.270 2.820 30 40 CFEB C=CCCCNc1cc(S(C)(=O)=O)ccc1C 96419544 MXQDMOYCKMDTND-UHFFFAOYSA-N 253.367 2.777 30 40 CFEB O=C(O)/C(=N\c1ccccc1C(=O)O)c1ccccc1 1599712 SYZOJEHDGPQBDK-SSZFMOIBSA-N 269.256 2.590 30 40 CFEB Cc1ccccc1NCC(=O)Nc1ccccc1C#N 32113915 PUNUUPKMGIQBDU-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB COC(=O)c1cccc(CNc2ccc(C#N)cc2)c1 22250634 SVOPGYIPLCBFAX-UHFFFAOYSA-N 266.300 2.957 30 40 CFEB C=CCO[C@H]1C[C@H]2CN(Cc3ccc(C)s3)CCN2C1 107746604 YYIHLJGEJILJHH-GJZGRUSLSA-N 292.448 2.518 30 40 CFEB O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21)c1ccccc1 104068184 DDGVTCZIJXAZOT-ZPHYEXBNSA-N 270.328 2.655 30 40 CFEB CC[C@H](c1nnc(Sc2ncccc2C#N)o1)N(C)C 12521818 FIRHWLCDUJWJFH-SNVBAGLBSA-N 289.364 2.500 30 40 CFEB C=CCNC(=O)Nc1ccc(C(=O)OCCC)cc1 48020415 XREYKPTTWFRHJL-UHFFFAOYSA-N 262.309 2.561 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)COc1ccc(C#N)cc1 58324454 GSWIFLRDAMMYIH-UHFFFAOYSA-N 298.264 2.514 30 40 CFEB CCOCCC/C(O)=N/S(=O)(=O)c1ccc(C)s1 48518260 AMVTVDGJLDMCCC-UHFFFAOYSA-N 291.394 2.518 30 40 CFEB N#CCOC(=O)c1cc2c(s1)-c1ccccc1OC2 5305157 YEWQGWKOGZVHPB-UHFFFAOYSA-N 271.297 2.988 30 40 CFEB CN(CCCC#N)C[C@H]1CCN(Cc2ccccc2)C1 78947961 ZQAJPAGZFGCPBC-QGZVFWFLSA-N 271.408 2.744 30 40 CFEB C#Cc1cccc(NC(=O)c2ccnc(Cl)c2)c1 19813780 AFDVUIUPSSQYHJ-UHFFFAOYSA-N 256.692 2.969 30 40 CFEB COC(=O)c1ccc(-n2c(C)cc(C#N)c2C)cc1 223715227 PSNNVANUWGJOSG-UHFFFAOYSA-N 254.289 2.752 30 40 CFEB Cc1ccc(NC[C@H]2CCN(c3ccc(C#N)cn3)C2)nc1 97200956 PCZMFAFWPRYAKG-OAHLLOKOSA-N 293.374 2.595 30 40 CFEB COc1ccc([C@H](CO)N(C)Cc2ccccc2C#N)cc1 71904361 IPLAWRRXJVWVSL-SFHVURJKSA-N 296.370 2.732 30 40 CFEB Cc1c(/C=N/NC(N)=S)ccc2c1[nH]c1ccccc12 1717239 DKBYVGADNVYFLR-CAOOACKPSA-N 282.372 2.797 30 40 CFEB C#CCCCCCCCC/C=C/C[C@@H](O)C[C@H](O)CO 225410132 YPRUUOUDKJWVMW-SFDDJJRUSA-N 282.424 2.791 30 40 CFEB biogenic,in-vitro Oc1cccc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 5119814 QQADCYJELGQJQY-NGYBGAFCSA-N 297.236 2.958 30 40 CFEB CC1CCC(NC(=O)COc2ccccc2C#N)CC1 19515872 KISGVOQSZZLQAJ-UHFFFAOYSA-N 272.348 2.632 30 40 CFEB CC1CCC(N(C)S(=O)(=O)c2ccccc2C#N)CC1 32724503 GKKGZDYMIDNTOY-UHFFFAOYSA-N 292.404 2.757 30 40 CFEB CS/C(Cl)=N\S(=O)(=O)c1ccc(C)cc1 100350826 OMNLXDKGYOPXLK-LUAWRHEFSA-N 263.771 2.642 30 40 CFEB CCc1nc(N[C@@H](CC)CO)c(C#N)c2c1CCCC2 20590083 LPWAGUGHRIZLEG-NSHDSACASA-N 273.380 2.577 30 40 CFEB COc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C)n2)cc1 419798 POBZXLZOXXJMIU-CQSZACIVSA-N 295.342 2.720 30 40 CFEB C=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 8700261 NSJZJRZQKBXUTL-LXTVHRRPSA-N 276.332 2.634 30 40 CFEB Cc1noc(C)c1COC(=O)c1ccccc1CC#N 22581874 JHKVRJULLUJBSL-UHFFFAOYSA-N 270.288 2.715 30 40 CFEB CCCCCCCC(=O)/C=C\Sc1nnc(O)nc1O 104206068 HSLFTYLDRKRZSK-HJWRWDBZSA-N 297.380 2.818 30 40 CFEB N#Cc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 43759929 KIIUEJKMGHSYSU-UHFFFAOYSA-N 272.254 2.766 30 40 CFEB CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1 26328038 JVVINOKKMVGGEX-KRWDZBQOSA-N 266.344 2.724 30 40 CFEB C=CC/N=C1/NC(=O)/C(=C/c2ccc(OCC)cc2)S1 12650340 KRNAPNNYVATNRU-RAXLEYEMSA-N 288.372 2.831 30 40 CFEB C/C(=N/Nc1ccc2nncn2n1)c1ccc(Cl)cc1 4426615 HLZSWQREDFWKLM-SXGWCWSVSA-N 286.726 2.614 30 40 CFEB C=CCOC(=O)Cc1cc(OC)ccc1Br 83925561 FGRYYDXUBKRUFZ-UHFFFAOYSA-N 285.137 2.729 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/C=C/c1ccco1 409091464 UQZCRJSXUXSVSF-YZHUXDMZSA-N 258.237 2.694 30 40 CFEB CC#CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 669385414 TVKOGUJAKZLUJQ-UHFFFAOYSA-N 277.283 2.852 30 40 CFEB Cc1ccccc1Cn1nc(C2CC2)c(C#N)c1N 225844022 IOBDJFFGCKBQHZ-UHFFFAOYSA-N 252.321 2.571 30 40 CFEB Cc1ccc2c(CC(=O)/N=C3/NCCS3)coc2c1C 89665856 FEVDIKSWYAFHDV-UHFFFAOYSA-N 288.372 2.811 30 40 CFEB C=C(Br)CN1CCC(CC(=O)OCC)CC1 131425260 IPEGPYHQDHYNFN-UHFFFAOYSA-N 290.201 2.560 30 40 CFEB CC1(C)OB([C@H](N)CC2CCCCC2)OC1(C)C 1307209431 OSVLYIQWPQKUAN-GFCCVEGCSA-N 253.195 2.916 30 40 CFEB CCN1/C(=N/c2cccnc2)SC[C@@]1(O)c1ccccc1 257882 CVQYSBNKNJTCJC-BJYOTHFNSA-N 299.399 2.983 30 40 CFEB C=CCSc1nccn(-c2ccc(F)cc2)c1=O 1888866601 ARHZWTDQKNRAIC-UHFFFAOYSA-N 262.309 2.650 30 40 CFEB C/C(=N\NC(N)=S)c1cc(Cl)sc1Cl 12350293 ZXSKCEDEXJKYMC-QDEBKDIKSA-N 268.194 2.612 30 40 CFEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@@H](C)CC1=O)N2 14164819 SFTZXQPWOCEKQD-HWPZZCPQSA-N 294.358 2.855 30 40 CFEB Cc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1 5542523 ZDJJZFUHEHGHDF-LZYBPNLTSA-N 267.288 2.621 30 40 CFEB COc1cccc(-c2c(C)c(C)nc(N)c2C#N)c1 19874906 ASHHFFZBYSNXGB-UHFFFAOYSA-N 253.305 2.828 30 40 CFEB N#Cc1cccc(C(=O)NCCc2ccsc2)c1 42240224 CDEMAZJZPDPNRS-UHFFFAOYSA-N 256.330 2.592 30 40 CFEB Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N\O)CCC2 101323205 BSNNCDNTAXYKGK-BOPFTXTBSA-N 288.303 2.626 30 40 CFEB C=C(C)C/N=c1/scc(C)n1/N=C/c1ccco1 102687318 MBXPWGZGCVBITK-RIJNBSGKSA-N 261.350 2.810 30 40 CFEB CN(C)C[C@@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 551657 BXWCXXAEFHAIBQ-QGZVFWFLSA-N 296.370 2.527 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccc2c(c1)OCO2 3529586 KIPFNEBTQVUQOZ-UHFFFAOYSA-N 281.267 2.644 30 40 CFEB CN(CC#N)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 69520904 HFLLXGALWLFKIE-UHFFFAOYSA-N 284.281 2.965 30 40 CFEB CCC[C@H](C#N)NC(=O)c1ccc(OCC2CC2)cc1 69513705 NAPMXSPPTUXLHS-CQSZACIVSA-N 272.348 2.897 30 40 CFEB C=CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O 6456677 FZJBOYPXMWSKSB-UHFFFAOYSA-N 252.726 2.898 30 40 CFEB CN1C(=S)S[C@H](/[N+]([O-])=C\c2ccccc2F)C1(C)C 4785779 QAJDDXKAIBVJCF-AXLKIAQESA-N 298.408 2.823 30 40 CFEB CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 7446914 FNZFYQTZLYAWDC-UHFFFAOYSA-N 277.393 2.680 30 40 CFEB COc1ccc(C#N)cc1CN(C)CC(F)(F)F 96483125 VLQBGXCMRTYHIA-UHFFFAOYSA-N 258.243 2.561 30 40 CFEB C[C@H](NCc1cccs1)C(=O)NC1(C#N)CCCCC1 89448622 WALRAUUUUXOSTA-LBPRGKRZSA-N 291.420 2.569 30 40 CFEB C#CCCCCC(=O)N1CCOC[C@@H]1c1nc(C)cs1 188647708 XCFHOBMSBIXZSA-CYBMUJFWSA-N 292.404 2.545 30 40 CFEB Cc1nc(SCc2ccccc2)nc(N)c1C#N 225890967 YBZJVLWKTOPDPA-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(C#N)ccn1 283875456 UYXQJTIMKSNVDJ-WFASDCNBSA-N 267.332 2.877 30 40 CFEB O=C(CCc1ccccc1)NCC#Cc1ccccc1 49346839 ZLCQFZMOGCVZIU-UHFFFAOYSA-N 263.340 2.787 30 40 CFEB C=C(C)CN(CC)C(=O)c1cc(OC)c(OC)c(OC)c1 57157919 AHHJNQQHFZRRFK-UHFFFAOYSA-N 293.363 2.751 30 40 CFEB COC(=O)c1cc2c(c(C#N)c1N)CCCCCC2 16194081 GMQJPJYWVOTORG-UHFFFAOYSA-N 258.321 2.586 30 40 CFEB Cc1nn(C)c(C)c1CNc1cccc(F)c1C#N 36138473 UBYROTNIYQGPTG-UHFFFAOYSA-N 258.300 2.660 30 40 CFEB CCc1nnc(C2CCN(c3ccc(C#N)nc3)CC2)s1 2086854632 MUPIBUJTXCKYPT-UHFFFAOYSA-N 299.403 2.751 30 40 CFEB CCN(CC)C(=O)Nc1ccc(/C(C)=N/OC)cc1 46414953 VAWALASJSXFLLK-LFIBNONCSA-N 263.341 2.931 30 40 CFEB CC[C@@H](C[C@H](C)CO)Nc1cccc(F)c1C#N 76084122 CRDMMSJXANOKRF-QWRGUYRKSA-N 250.317 2.906 30 40 CFEB COc1ccc(C)cc1NC(=O)COc1ccccc1C#N 3445390 OLZNGWLLRRBOBN-UHFFFAOYSA-N 296.326 2.893 30 40 CFEB N#CC1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCC1 63477205 QNYPZHAAXFPDDW-UHFFFAOYSA-N 284.237 2.761 30 40 CFEB N#Cc1ccc(CSc2ncccc2C(=O)O)cc1 4248030 YKNRZJFRBKFRLZ-UHFFFAOYSA-N 270.313 2.944 30 40 CFEB C#CCNC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 69708944 XWRVMTOFQLYQHS-ZDUSSCGKSA-N 256.349 2.630 30 40 CFEB CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)cn2C)C1 81155369 XTKPEEXRTKWKAH-KGLIPLIRSA-N 273.380 2.841 30 40 CFEB C[C@@H](NC(=O)CSc1ncccc1C#N)c1ccccc1 71325860 UDWDZNFCUZRJRI-GFCCVEGCSA-N 297.383 2.923 30 40 CFEB CCn1c(SCC#N)nnc1-c1cccs1 9515938 WCFHPKSAJLQPIQ-UHFFFAOYSA-N 250.352 2.642 30 40 CFEB N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@H]1C(N)=O 95429703 HDBXOHZDODJCNU-ZYHUDNBSSA-N 297.280 2.643 30 40 CFEB N#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCO3 20143003 ONEFZZUEBNSOCI-UHFFFAOYSA-N 281.315 2.825 30 40 CFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1cccc(C#N)c1 39560689 OXAZPCWIDVZOGU-OKZBNKHCSA-N 281.403 2.544 30 40 CFEB biogenic,in-vitro C=C[C@@H](O)C#CC#C/C=C/[C@H](O)CCCCCCC 72320239 DSVMWGREWREVQQ-OMYPGEHRSA-N 260.377 2.818 30 40 CFEB biogenic COc1cc2c(cc1OC)CN(c1ccnc(C#N)c1)CC2 283606382 RELZOAHMZJAVFB-UHFFFAOYSA-N 295.342 2.533 30 40 CFEB CS(=O)(=O)c1ccc(/N=C\c2ccccc2O)cc1 44835753 RAJRICGRDOAEBY-GDNBJRDFSA-N 275.329 2.546 30 40 CFEB COC(=O)[C@]1(C)O[C@@]1(C)c1cccc(Br)c1 85657936 IZAGMFLSPAXDMZ-RYUDHWBXSA-N 285.137 2.626 30 40 CFEB C=CCNC(=O)c1cc(C(C)C)nc(N2CCCCC2)n1 96101134 HRFSCFHPHJMJSR-UHFFFAOYSA-N 288.395 2.506 30 40 CFEB O=C(/C(Cl)=C/Nc1ccccn1)C(F)(F)F 3184960 TUGYNGFEQKMPND-WAYWQWQTSA-N 250.607 2.705 30 40 CFEB CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)cc1 32779446 IHYHUTYUWBCSOH-UHFFFAOYSA-N 266.304 2.617 30 40 CFEB C#CCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 31903349 LTGIAGVFJPLDAY-OAHLLOKOSA-N 281.359 2.743 30 40 CFEB CC(=O)ON(C(=O)c1ccccc1)c1ccccc1 1612730 BLLRAKDWFWGBBF-UHFFFAOYSA-N 255.273 2.812 30 40 CFEB CCOC(=O)/C(=C/Nc1nc2ccccc2s1)C(C)=O 101994341 ZGRBJYNOPFXGAM-CSKARUKUSA-N 290.344 2.744 30 40 CFEB COc1ccc(C(=O)/C=C\NCC(=O)c2ccccc2)cc1 100661800 RARUXGXNELHDTK-QXMHVHEDSA-N 295.338 2.864 30 40 CFEB CC[C@@](C)(C#N)NC(=O)/C=C/c1c(F)cccc1F 69438845 JEXDFWXQRMYHNK-NPQIQWPPSA-N 264.275 2.786 30 40 CFEB CC[C@@H](C)c1ccc(C(=O)Cn2cnc(C#N)n2)cc1 14143345 AKZMVXKOQUEHRP-LLVKDONJSA-N 268.320 2.546 30 40 CFEB CC[C@@H]1CC[C@@H](C)N1C(=O)COc1ccc(CC#N)cc1 95458847 BTTKSZXWJDEVPJ-UKRRQHHQSA-N 286.375 2.921 30 40 CFEB CCc1ccc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)cc1 225236213 UWEGUNWXQSODKG-UHFFFAOYSA-N 285.307 2.611 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H](C#N)C2)C1 260812987 UDWXJBGBCPVEAE-BXUZGUMPSA-N 250.342 2.937 30 40 CFEB COc1ccc(O)c(/C=N/Nc2nc3ccccc3n2C)c1 13640440 GAEQDBYTONVKQM-LICLKQGHSA-N 296.330 2.734 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 50026603 NJGIAWCKMFHZHK-UHFFFAOYSA-N 290.794 2.932 30 40 CFEB CCCCCCNC=C1C(=O)CC(C)(C)CC1=O 100565259 UEEGWJQSUQPRLV-UHFFFAOYSA-N 251.370 2.998 30 40 CFEB CC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 235988 XTQXACZULRWFPY-UHFFFAOYSA-N 262.133 2.866 30 40 CFEB N#Cc1ccccc1N/C=C(/C(N)=S)C(F)(F)F 101669646 NWHOVINSXLPROV-VURMDHGXSA-N 271.267 2.702 30 40 CFEB Cc1cc(C)c2c(c1)/C(=N/Nc1oc(C)nc1C#N)C(O)=N2 54891712 CBXORXXEZCTQGH-UHFFFAOYSA-N 295.302 2.889 30 40 CFEB Cc1cc(C(=O)CC/C(O)=N/c2ncn[nH]2)c(C)s1 26260326 FNCFKMKQIXTYLO-UHFFFAOYSA-N 278.337 2.734 30 40 CFEB C[S@@](=O)c1ccc(NC(=O)c2ccccc2)cc1C#N 4060100 ZECGVPXFDNNTOT-FQEVSTJZSA-N 284.340 2.548 30 40 CFEB C=CCC1=C(C)[C@@]2(OC1)C(=O)N(C)c1ccccc12 26897535 CZIYHMVZCBOURS-INIZCTEOSA-N 255.317 2.781 30 40 CFEB CO/N=C/Cc1ccc2c(c1)C(=O)c1ccccc1C2=O 5526067 ODHOLPACXJQMDW-GIJQJNRQSA-N 279.295 2.637 30 40 CFEB COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1O 5733641 WGVFVBIJKULVHA-QHHAFSJGSA-N 286.283 2.708 30 40 CFEB biogenic Cc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1 7902817 UFFOXOAXRLCRBC-UHFFFAOYSA-N 293.370 2.937 30 40 CFEB Cc1sc(NC(=O)/C=C/c2cnccn2)c(C#N)c1C 96998975 QXMTWVJJLIITBS-ONEGZZNKSA-N 284.344 2.679 30 40 CFEB C#CCOc1cccc(NC(=O)[C@H](C)n2nc(C)cc2C)c1 71888128 KTNZRNWPNLQVHS-AWEZNQCLSA-N 297.358 2.712 30 40 CFEB CCOC(=O)C(C(=O)CC)=C1SCCCS1 62716050 CFPIJNLEGXUUNX-UHFFFAOYSA-N 260.380 2.610 30 40 CFEB C[C@@H](Oc1ccc(/C=N/c2cccnc2)cc1)C(=O)O 408846680 RKJOMBIIZLEAMO-LBFZPMSMSA-N 270.288 2.684 30 40 CFEB COC(=O)CC(/C=N/O)=C(\Cl)c1ccc(C)cc1 32210346 FZFXCPHTZUVVQN-QQEHOYNFSA-N 267.712 2.968 30 40 CFEB CC(C)(C)n1nc(Cc2ccccc2F)c(C#N)c1N 225835229 CFMYITORQYYCGD-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB CCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1C 225860701 HGDRADFLAORYII-UHFFFAOYSA-N 296.374 2.842 30 40 CFEB CCCCCCCCCCN1CCS(=O)(=O)CC1 1557387 XQFLKSAGWWDJQX-UHFFFAOYSA-N 275.458 2.858 30 40 CFEB C/C(COC(=O)c1cc(C)nc2ccccc12)=N\O 17312044 DGXIQGNTVGUPOV-MHWRWJLKSA-N 258.277 2.550 30 40 CFEB C/C(=N\[C@@H]1NC=CS1)c1cc2ccccc2oc1=O 8101042 PKRKOQQNSVABDN-FSEGOYHTSA-N 272.329 2.693 30 40 CFEB O=[N+]([O-])c1ccc(-c2nc(/C=N/O)c3ccccn23)cc1 100836832 SKDQZRAGNFYSNL-OQLLNIDSSA-N 282.259 2.718 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc3ccccc3n2)CC1 50025399 ZALUNFVFFKZTOD-UHFFFAOYSA-N 293.370 2.519 30 40 CFEB O=c1[nH]c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2[nH]1 225366 ODOMLISSNZBNJT-OVCLIPMQSA-N 282.259 2.515 30 40 CFEB N#Cc1ccccc1N1C(=O)Nc2ccccc2N1O 287037 WHTINSPOUIFVCF-UHFFFAOYSA-N 266.260 2.721 30 40 CFEB C=CCNC(=O)N(Cc1ccco1)Cc1ccccc1O 60339933 GNEHVOFOIGAAFJ-UHFFFAOYSA-N 286.331 2.883 30 40 CFEB N#Cc1cnn(-c2cc(Cl)ccc2Cl)c1N 1852071 YQSMXEYBNRLGRK-UHFFFAOYSA-N 253.092 2.633 30 40 CFEB CC(C)(C)[C@H](NCC(=O)NCCC#N)c1ccc(F)cc1 53644148 MFRKOPPEHJYNPA-OAHLLOKOSA-N 291.370 2.532 30 40 CFEB CCNC(=S)N/N=C/c1ccc(OC(C)C)c(Cl)c1 107702244 UCZNANWNYAINCF-LZYBPNLTSA-N 299.827 2.945 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 107149864 PPDBREBDWOXFPH-DVOMOZLQSA-N 299.374 2.886 30 40 CFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(F)cc1 78517586 DPDIOYFKIDMXRP-UHFFFAOYSA-N 298.383 2.776 30 40 CFEB CCC(/C=N/N1C(=O)NC2(CCCCC2)C1=O)CC 44867395 DODJEERMDQPCRU-XNTDXEJSSA-N 265.357 2.663 30 40 CFEB Cc1cc(C)cc(C2(/C(O)=N/c3ncn[nH]3)CC2)c1 48572180 RWZOYECFXVZXQP-UHFFFAOYSA-N 256.309 2.741 30 40 CFEB CC(C)(C)c1noc(CNc2cccc(C#N)c2)n1 48657235 OOXMEMFKSAWXBT-UHFFFAOYSA-N 256.309 2.851 30 40 CFEB CCN(CC#N)Cc1cc([N+](=O)[O-])ccc1OC(C)C 69842581 HMSHIWDRKNUQDQ-UHFFFAOYSA-N 277.324 2.727 30 40 CFEB N#CCN(C(=O)CCSc1ccccc1F)C1CC1 65895137 IELHNRNXAMAJFI-UHFFFAOYSA-N 278.352 2.822 30 40 CFEB N#CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851179 IZGUWMKTWMIBAE-GFCCVEGCSA-N 271.147 2.890 30 40 CFEB CC(C)(C)c1ncc(/C=C/C(=O)NC2(C#N)CC2)s1 96431075 URQZHFQGCYMSPL-SNAWJCMRSA-N 275.377 2.626 30 40 CFEB C=C(C)CN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 96455917 RSIXTHJJTOATBO-CYBMUJFWSA-N 286.297 2.572 30 40 CFEB Cc1cc(C)c2ncc(C#N)c(N[C@H](C)CO)c2c1 97144417 WYZJFQKJTAWIEW-LLVKDONJSA-N 255.321 2.516 30 40 CFEB Cc1ocnc1C/N=C(/O)Nc1nc(C2CC2)cs1 329011864 OUQHANQXXGXRCI-UHFFFAOYSA-N 278.337 2.843 30 40 CFEB CCCS(=O)(=O)/N=C(\O)C1(c2ccccc2)CCC1 96416211 VYFRXKJNYRIGGT-UHFFFAOYSA-N 281.377 2.805 30 40 CFEB N#CC1(C(=O)Nc2ccc(O)cc2F)CCCCC1 96500460 MUODETIYBRXMKV-UHFFFAOYSA-N 262.284 2.944 30 40 CFEB CN1CCN(C(=O)c2cccc(C#N)c2)c2ccc(F)cc21 98014056 ZDWAWNHNANNZSI-UHFFFAOYSA-N 295.317 2.794 30 40 CFEB CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 55111439 YJWRQOLOXDFBCP-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB CN(/N=C\c1ccc(Cl)c(Cl)c1)C1=NCCCCN1 17253834 GODFYVBRLBQEBU-NVMNQCDNSA-N 299.205 2.999 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(Cl)c(Cl)c1 3883923 LDDACRYHIIMINP-YHYXMXQVSA-N 275.087 2.791 30 40 CFEB CCC[C@H]1O[C@@]23CCCC[C@H]2[C@](C#N)(C(=N)O3)C1(C#N)C#N 4546031 QSYAOBUMIKSMLP-UAXWRAGISA-N 298.346 2.623 30 40 CFEB CC(C)=NNC(=S)NC12CC3CC(CC(C3)C1)C2 5811605 OKSVYMPTOSFZBE-UHFFFAOYSA-N 265.426 2.815 30 40 CFEB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 353436752 QIFFPXSYMRNSRA-MRXNPFEDSA-N 299.418 2.685 30 40 CFEB C/C(=N\NC(=S)NCCc1ccccc1)c1ccco1 5444607 HVNOSHZJBPWOQL-SFQUDFHCSA-N 287.388 2.710 30 40 CFEB CN1/C(=C\C(=O)CSCCO)C(C)(C)c2ccccc21 18010032 OGGNFGOCXSJTHU-GDNBJRDFSA-N 291.416 2.593 30 40 CFEB C=CCOc1ccc(CN[C@@H](CC)CO)cc1OCC 6541109 MCYXXMPCKPLTJO-AWEZNQCLSA-N 279.380 2.511 30 40 CFEB Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)c1C#N 527914 QMIKYSBUIDJDDK-UHFFFAOYSA-N 258.708 2.979 30 40 CFEB CC1CCC(O)(CSc2cc(C#N)ccn2)CC1 104172472 IIILKVUJOUGDHL-UHFFFAOYSA-N 262.378 2.987 30 40 CFEB CN(C)c1ccc(/C=N/n2ncc3ccccc32)cc1 3192469 UNZHITZXBPGMBR-GZTJUZNOSA-N 264.332 2.985 30 40 CFEB N#C[C@@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CCCC1 106867719 BGBNOJMPDYCFDL-XPCVCDNBSA-N 288.391 2.580 30 40 CFEB CC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 3538727 GFPNRGBURNHBNS-UHFFFAOYSA-N 291.782 2.882 30 40 CFEB Cc1ccn2cc(C(=O)OCc3ccc(C#N)cc3)nc2c1 5165464 OOWXVHFDZSBLCI-UHFFFAOYSA-N 291.310 2.871 30 40 CFEB Cc1ccccc1CNC(=O)c1ccc(C#N)cc1 7974928 ZSMJWJFLJRXNIR-UHFFFAOYSA-N 250.301 2.797 30 40 CFEB N#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 69434145 NQSBTRSVIHLABT-UONOGXRCSA-N 274.751 2.958 30 40 CFEB CCN(CC#N)C(=O)C[C@H](C)c1cccc(OC)c1 84533947 KFWABWBKEIJMRX-LBPRGKRZSA-N 260.337 2.561 30 40 CFEB Cn1cccc1[C@@H](C#N)N1CCc2ccccc2C1 34936202 KGJMLHCCSMBQNU-MRXNPFEDSA-N 251.333 2.648 30 40 CFEB Cc1c[nH]c2c(C#N)cc(B3OC(C)(C)C(C)(C)O3)cc12 1083813031 WJJNQBCLEQJKKD-UHFFFAOYSA-N 282.152 2.647 30 40 CFEB C=CCCN(CC)S(=O)(=O)c1ccc(C)cc1 2145625 BRKISIWPCZOBOX-UHFFFAOYSA-N 253.367 2.582 30 40 CFEB CN(C)C(=O)O/N=C(\c1ccccc1)C(F)(F)F 1719950 PYJGZUQSCKYFGF-OQLLNIDSSA-N 260.215 2.651 30 40 CFEB CN(C)[C@H](CNC(=O)c1cccc(C#N)c1)c1ccccc1 25419545 SEESTHQYNVBSQA-QGZVFWFLSA-N 293.370 2.591 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccc(CC)cc1 100415469 AGWZLPLBUZNFPE-PTNGSMBKSA-N 254.717 2.776 30 40 CFEB CC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 69700564 OUNXDNQANPREGP-MJVIPROJSA-N 262.378 2.969 30 40 CFEB N#Cc1ccc(OCCOc2nncc3ccccc23)cc1 49874020 LDNZXPUCCSMVDV-UHFFFAOYSA-N 291.310 2.959 30 40 CFEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1 5442942 UYTSSDZHKRVIIQ-HNNXBMFYSA-N 280.331 2.609 30 40 CFEB COc1ccccc1NC(=S)N/N=C1\C[C@H]2C=CC[C@@H]12 23741269 RLYWNVFIGLKBCR-SJZWRUIUSA-N 287.388 2.934 30 40 CFEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 218034696 JCXCBCVQHKJEEG-OWCLPIDISA-N 283.352 2.766 30 40 CFEB C=C[C@H](C)CCOC(=O)c1snnc1-c1cccnc1 223851053 GIQNFJHSYOKNPU-JTQLQIEISA-N 289.360 2.969 30 40 CFEB CN(C)c1ccc(/C=C2\C(=O)ON=C2c2ccco2)cc1 12414018 DPGCOXNJIMKWHP-RAXLEYEMSA-N 282.299 2.690 30 40 CFEB COc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)ccc1O 8322723 GADBODJYJJFTRG-XBXARRHUSA-N 298.294 2.995 30 40 CFEB CC/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1CC 2702163 XWRJMCPOMHARGU-UXIXBDGISA-N 276.361 2.704 30 40 CFEB C/C(NCc1ccccn1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100749463 BHDWUSPFMXNWCW-RUDQYUADSA-N 256.349 2.690 30 40 CFEB biogenic N#Cc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O 283329 PNZXVFDVDMCCEB-CXUHLZMHSA-N 267.244 2.923 30 40 CFEB Cc1cc2c(cc1C)[n+](C)cn2/N=C/c1ccccc1 348780 KKTSAMWBKUTWAK-WOJGMQOQSA-N 264.352 2.965 30 40 CFEB O=C(O)C(CS)(c1ccccc1)c1ccccc1 4362823 GRQWVXFUKGSABP-UHFFFAOYSA-N 258.342 2.987 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1ccc(OC(F)F)c(OC)c1 69418975 WTUXURYEYOWEJJ-CQSZACIVSA-N 298.289 2.719 30 40 CFEB C=CCn1c(S[C@@H](C)C#N)nc2ccccc2c1=O 8282415 AOTBXXDHVBCHJK-JTQLQIEISA-N 271.345 2.587 30 40 CFEB C[S@@](=O)c1ccccc1NC(=O)c1sccc1C#N 84115518 HOGOGZWGHGPYRL-IBGZPJMESA-N 290.369 2.609 30 40 CFEB N#Cc1ccc(NCc2ccccc2Cn2cccn2)nc1 24528697 QXWZRXJNWNSOCI-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(O)cc1)OCO2 18275940 QWCNWHXWJSPLEG-VIZOYTHASA-N 286.243 2.780 30 40 CFEB COc1ccc(Cc2nnc(S[C@H](C)C#N)o2)cc1 5788673 IMEUNHMWFAKXBF-SECBINFHSA-N 275.333 2.673 30 40 CFEB Cc1cnc(CCNc2ccc([N+](=O)[O-])c(C#N)c2)s1 97144955 MHHMLLVQFDDUGJ-UHFFFAOYSA-N 288.332 2.886 30 40 CFEB N#Cc1ncn(CCOc2cccc3ccccc23)c1C#N 97379805 KVCUGGWWYTYPTM-UHFFFAOYSA-N 288.310 2.859 30 40 CFEB CN(Cc1cccnc1)Cc1cc(F)ccc1C#N 95981764 KBZCTPJIIFKQKF-UHFFFAOYSA-N 255.296 2.724 30 40 CFEB CCc1nnc(COc2ccc(C#N)cc2Cl)o1 42228619 INAVAZXFFACRCP-UHFFFAOYSA-N 263.684 2.736 30 40 CFEB O=C(O)c1ccc(/C=N/N=C\c2ccccc2O)cc1 5030488 ZAILMIHKPZCHRQ-IPPJXQLGSA-N 268.272 2.543 30 40 CFEB C=C(C)[C@@H]1O[C@@H]1c1c(OC)ccc2ccc(=O)oc12 14650529 YTDNHMHONBWCBV-DZGCQCFKSA-N 258.273 2.818 30 40 CFEB biogenic,in-vitro COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 169800207 BDLGLOJNSUUCHQ-HNNXBMFYSA-N 296.282 2.771 30 40 CFEB CCc1cc2c(=O)n(Cc3ccccc3C#N)cnc2s1 5556163 UARHZFFXNSTUSE-UHFFFAOYSA-N 295.367 2.940 30 40 CFEB C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1C#N 953067617 OHAHYLXPVGEPCR-OCCSQVGLSA-N 258.321 2.805 30 40 CFEB Cc1ccc(/C(=N\O)c2ccccc2C(=O)O)cc1 20328828 IRXHQLVRCDMMRS-JQIJEIRASA-N 255.273 2.920 30 40 CFEB COc1ccnc(N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)n1 103110957 GBJRTWPLFKXKAK-VNISWGSJSA-N 272.352 2.875 30 40 CFEB CCc1ccsc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 103717444 CQVXNUZZXWMMCX-NSHDSACASA-N 299.355 2.667 30 40 CFEB C[C@@H](Oc1ccc(Cl)cc1)/C(O)=N/c1ncn[nH]1 26262089 GNGPYCYEXGULPF-SSDOTTSWSA-N 266.688 2.514 30 40 CFEB N#Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58158057 QJJKANMUMBXTQE-UHFFFAOYSA-N 277.371 2.880 30 40 CFEB COc1ccccc1NC(=O)COc1ccccc1C#N 3445506 DAVDGQNIZUXNMK-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 64926287 UWBXFFDDAJVOLD-RMKNXTFCSA-N 285.303 2.841 30 40 CFEB CCOC(=O)/C(C#N)=N\Nc1c(Cl)cccc1Cl 4506109 DIUOYFDHKJIUHE-DHDCSXOGSA-N 286.118 2.848 30 40 CFEB C/C(=N\N=C1\C(=O)Nc2ccccc21)c1ccc(C#N)cc1 7061654 ZFVGHHXFADLYEX-RGVLZGJSSA-N 288.310 2.724 30 40 CFEB CC[C@@H]1CN(C(=O)c2cc(C#N)cn2C)c2ccccc2O1 81548967 ZZOUYPAOMQGAQE-CYBMUJFWSA-N 295.342 2.715 30 40 CFEB C=CCNC(=O)Nc1nnc(Cc2cccc(F)c2)s1 71886074 FFZAGCUIOBTZBW-UHFFFAOYSA-N 292.339 2.576 30 40 CFEB N#Cc1ccc(F)c(CN2CCCC[C@H]2Cn2cccn2)c1 71875237 BWQKSVDYOCPNHY-INIZCTEOSA-N 298.365 2.949 30 40 CFEB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 89948691 AOTGXYPLLHMLKS-FDQGKXFDSA-N 299.418 2.856 30 40 CFEB Cc1ccccc1COc1nn(CC(C)C)c(N)c1C#N 225834589 QNYOPOAESCKKPS-UHFFFAOYSA-N 284.363 2.880 30 40 CFEB C=CCN1CCN(Cc2nccs2)Cc2cccnc21 96198877 MCUYQKVTNOVGHT-UHFFFAOYSA-N 286.404 2.546 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1 16400533 PKACYCOXPLJLFM-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB CNC(=S)NN=C(c1ccccc1)c1ccccc1 5412934 FUNWUXYFJVMZFJ-UHFFFAOYSA-N 269.373 2.533 30 40 CFEB Oc1ccccc1/C=N\N1CCN(Cc2ccccc2)CC1 16677826 NVQRMPQPJSCBRR-RGEXLXHISA-N 295.386 2.544 30 40 CFEB C#CCCCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 76016874 MJQZMONKNKIKIZ-GOSISDBHSA-N 299.370 2.638 30 40 CFEB Cc1ccccc1C1=NOC(=O)/C1=C\c1ccco1 101662660 PXHFUTDFJKNBCO-LCYFTJDESA-N 253.257 2.933 30 40 CFEB C(=N/OCc1ccccc1)\c1cnn(-c2ccccc2)n1 10841206 LYOQJHCFJXXLKM-LDADJPATSA-N 278.315 2.818 30 40 CFEB N#Cc1ccc(CSc2nc(=O)ccn2C2CC2)cc1 69585756 HPBAWXLHIFQJAO-UHFFFAOYSA-N 283.356 2.742 30 40 CFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc(C(=O)O)cc1 5504630 NGLWDGMNSPZYCD-MTCUZCOSSA-N 260.337 2.982 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)Nc1cnn(C(C)(C)C)c1 95977080 DRVLTADPUNQCMH-LLVKDONJSA-N 277.372 2.652 30 40 CFEB CC(C)(C)c1nn(Cc2cccc(F)c2)c(N)c1C#N 225841673 AZHQMDSBPPMBMJ-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB CC(C)n1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1 255768037 CYCFZMGBCDLMTL-RZNTYIFUSA-N 270.288 2.786 30 40 CFEB CN(C)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692901 RKDSPBVBJOECFG-UHFFFAOYSA-N 271.345 2.938 30 40 CFEB C=CCC(/C=C\C(C)C)(C(=O)OCC)C(=O)OCC 16930629 CZQQJNOTRIIYOF-LUAWRHEFSA-N 268.353 2.887 30 40 CFEB Cc1ccc(NC(=O)COc2ccccc2/C=N/O)cc1 6212733 IUAIVKBILHAUIE-LICLKQGHSA-N 284.315 2.821 30 40 CFEB N#Cc1ccc(NCC(=O)NCc2ccc(Cl)cc2)cc1 15122374 LJPIVAFYVZONCJ-UHFFFAOYSA-N 299.761 2.940 30 40 CFEB N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1 30447737 AMBFQWGJIXBICC-UHFFFAOYSA-N 297.383 2.847 30 40 CFEB N#Cc1c(-c2ccco2)cc(-c2ccccn2)nc1N 20480024 IHOYDYCSMDRJDB-UHFFFAOYSA-N 262.272 2.857 30 40 CFEB N#Cc1nnc2cc(-c3ccccc3)nn2c1C1CC1 1590870 WCUCZQWNKWWYHG-UHFFFAOYSA-N 261.288 2.540 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2ccco2)cc1C 46929712 ISRLGBURWVSYDB-UHFFFAOYSA-N 279.317 2.590 30 40 CFEB N#CCC[C@@H](C#N)CN1CCCN(Cc2ccccc2)CC1 25304125 IRXCQCOBLRAUHV-SFHVURJKSA-N 296.418 2.638 30 40 CFEB C=C(Cl)CSc1nc2sccc2c(=O)n1C 10023417 JSGMSGVTJOUGSO-UHFFFAOYSA-N 272.782 2.840 30 40 CFEB C=CCN(CC=C)Cc1cn2ccccc2c1C#N 59385253 FXRQENPWZRHBDA-UHFFFAOYSA-N 251.333 2.985 30 40 CFEB COc1ccc(NC(=O)c2cccc(C#N)c2)c(OC)c1 3606706 HWBHHHIHEQGOIH-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB COCCNc1oc(/C=C/c2ccc(F)cc2)nc1C#N 8612967 KKJHTCXIKNVEAY-QPJJXVBHSA-N 287.294 2.914 30 40 CFEB aggregator CC(C)(O)C#C[C@H](c1ccccc1O)N1CCCCC1 6720458 UVXAYLBBKRLDDY-OAHLLOKOSA-N 273.376 2.694 30 40 CFEB Cc1ccc(OC2CCN(c3ncccc3C#N)CC2)nc1 97109594 ZZOXNEIORIGIHF-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB N#Cc1cccc(CN[C@H]2CCN(c3ccccc3)C2)c1 71882471 OQEWLABVGLQVFR-KRWDZBQOSA-N 277.371 2.927 30 40 CFEB C#CCNC(=O)Cc1coc2ccc3ccccc3c12 83812639 CULWNXIHLLKNRO-UHFFFAOYSA-N 263.296 2.878 30 40 CFEB Cc1ccc(Cn2nc(C(C)C)c(C#N)c2N)cc1 225845610 KIJYNYCZVDTPHI-UHFFFAOYSA-N 254.337 2.817 30 40 CFEB CCCOc1ccc(NC(=O)C(C)(C)OC)cc1C#N 225789312 XOCITOPMUHSHFS-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB O=C(OCc1ccccc1)N1CC[C@H](CCS)C1 95078986 AUMZCBBCNIKLJN-GFCCVEGCSA-N 265.378 2.965 30 40 CFEB N#Cc1cc(N[C@H]2CCC[C@@H]2O)ccc1C(F)(F)F 97104674 CHBRDAGUUDHDEU-RYUDHWBXSA-N 270.254 2.902 30 40 CFEB COc1ccc(C(=O)/C=C\c2cccnc2)c(O)c1 17313943 BHHYCLIWDCRSPU-DAXSKMNVSA-N 255.273 2.692 30 40 CFEB COc1ccnc(N2CCC(C#N)(c3ccccc3)CC2)n1 1888904378 JSZRWMPQABZDSP-UHFFFAOYSA-N 294.358 2.547 30 40 CFEB CN1CCCCC12CCN(C(=O)C1(C#N)CCCC1)CC2 1565542499 IVDSPHVLGRHCKH-UHFFFAOYSA-N 289.423 2.547 30 40 CFEB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1(C#N)CCC1 60193705 ZTOHANZKRYLHHL-LLVKDONJSA-N 292.766 2.978 30 40 CFEB C=CCN1C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C1=O 479383 LVXOHAUIGBKBNP-GXDHUFHOSA-N 286.331 2.553 30 40 CFEB CC1=C(C)[C@@]2(C)[C@@H]3C(=O)C=CC(=O)[C@@H]3[C@]1(C)C(=O)C2(C)C 4566080 RQFQLKCULHEKLG-JFTQMJAMSA-N 286.371 2.898 30 40 CFEB CC[C@@H](C[C@@H](C)CO)Nc1ccc(C#N)cc1F 76083620 ACTAVFLFHQGDKS-PWSUYJOCSA-N 250.317 2.906 30 40 CFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)NC(C)C 69567354 WCAVADDPZSQSDS-UHFFFAOYSA-N 257.337 2.664 30 40 CFEB CCc1ccc(N/C(N)=N/Cc2ccc(O)cc2)cc1 69514274 PCNNYDUSSZLPAG-UHFFFAOYSA-N 269.348 2.881 30 40 CFEB CCCCS/C(N)=N/N=C/c1cc(C)ccc1O 8671372 MVANAYQATUMVLS-OQLLNIDSSA-N 265.382 2.883 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1 5378393 WJOQKCNMWCFOFS-UHFFFAOYSA-N 278.311 2.879 30 40 CFEB COC(=O)c1cc(COC(=O)c2ccc(C#N)cc2)oc1C 6637882 OIRDSZLVLTWFJC-UHFFFAOYSA-N 299.282 2.603 30 40 CFEB Cn1c(SCc2ccc(C#N)cc2)nnc1C1CC1 4946767 BZACIYYTJDVROA-UHFFFAOYSA-N 270.361 2.856 30 40 CFEB C=CCSc1nnc(NC(=O)c2c(C)noc2C)s1 7594266 ZFEDAQQLIFTVLD-UHFFFAOYSA-N 296.377 2.673 30 40 CFEB CCn1cc(/C=C\C(=O)c2cccc(O)c2)c(C)n1 71785182 GSWDCRGHENAWAR-FPLPWBNLSA-N 256.305 2.813 30 40 CFEB Cc1c(C#N)cnc(Br)c1Br 48623213 JFXUKMCEUAUCIL-UHFFFAOYSA-N 275.931 2.787 30 40 CFEB C=CCO[C@H]1CO[C@]2(CCCN(Cc3ccoc3)C2)C1 96048188 AAEYIAGZNDFJHA-HZPDHXFCSA-N 277.364 2.606 30 40 CFEB CC(C)=NNC1=NC(=O)[C@@H](c2ccc(Cl)cc2)S1 5430901 KRIHEFMSOJMNSZ-SNVBAGLBSA-N 281.768 2.996 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/OCc2cscn2)c1 16951185 YYIGVLCURLGMTK-WLRTZDKTSA-N 263.278 2.602 30 40 CFEB O=C1C=C/C(=N\c2ccc3c(c2)[C@H](O)c2ccccc2-3)O1 17162343 IAGINSVVPKZABO-PQMNFKMDSA-N 277.279 2.892 30 40 CFEB C=CCOc1ccccc1CN1C[C@@H]2CCCN2C[C@H]1C 19575166 YWQQDDFQJRVCQO-WBVHZDCISA-N 286.419 2.920 30 40 CFEB COc1cc(/C=N/n2cnnc2)ccc1OCCC(C)C 5380473 KVGDAWNYSLPNCQ-GIJQJNRQSA-N 288.351 2.594 30 40 CFEB C=C1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1 618257268 UDEHEISBWGPEIV-UHFFFAOYSA-N 258.365 2.981 30 40 CFEB Cc1ccc[n+](CC(=O)Nc2ccc(C)c(C)c2)c1 4129541 RRYAFXOOUBPMDB-UHFFFAOYSA-O 255.341 2.538 30 40 CFEB CC(C)(C)N/C=C(\Br)C(=O)C(F)(F)F 4391100 CVPHGSYVFPJXJD-PLNGDYQASA-N 274.080 2.742 30 40 CFEB C/C(=N/N=C(/N)c1cncc(Cl)n1)C1CCCCC1 6373591 GNEBIGYAFYPANH-NVMNQCDNSA-N 279.775 2.792 30 40 CFEB C=C(Br)Cn1nc(-c2ccc(F)cc2)oc1=O 65591115 WTYSYNUUDATDEB-UHFFFAOYSA-N 299.099 2.551 30 40 CFEB COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C)(C)C#N 97145667 LFNRMZYWABTHGH-ZDUSSCGKSA-N 286.375 2.781 30 40 CFEB Cn1cc([C@@H]2CCCN2c2cccc(F)c2C#N)cn1 71797090 DFDTXLLZDMDLDR-AWEZNQCLSA-N 270.311 2.772 30 40 CFEB C=CCN(CC=C)C(=O)N[C@H]1CC[C@H](SC)C1 74812348 RUWXTVJRXMURMD-RYUDHWBXSA-N 254.399 2.654 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nccn2nc(C)cc12 664572767 WUOPSZIYGJGARU-BETUJISGSA-N 254.337 2.725 30 40 CFEB C=CCNC(=S)Nc1ccc(C(=O)OCC)cc1C 225277121 ZEBXTKAVGXDYGC-UHFFFAOYSA-N 278.377 2.644 30 40 CFEB CCNC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 226762348 NHSWJSKVJCTHOM-UHFFFAOYSA-N 293.326 2.509 30 40 CFEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 224668810 YKOOZNKZJDIIMO-UHFFFAOYSA-N 286.356 2.578 30 40 CFEB CCc1nc(SCc2cccc(F)c2)nc(N)c1C#N 225891537 ARHDKDLFBHAARA-UHFFFAOYSA-N 288.351 2.924 30 40 CFEB C=CCOC(=O)N1CCC(=O)C[C@@H]1Cc1ccccc1 86016301 KPSMVIFUJSAYRV-AWEZNQCLSA-N 273.332 2.585 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2 247980762 WTNTWCSMVXJETF-YUTCNCBUSA-N 264.394 2.617 30 40 CFEB Cc1cc(OCc2nc(C)c(C)o2)c(C#N)c(C)n1 95433599 SOAKNVRMGXQROR-UHFFFAOYSA-N 257.293 2.754 30 40 CFEB C=CCN(C(=O)[C@H](C)OCc1cccc(OC)c1)C1CC1 95983562 GSXYCCIKCLUILE-ZDUSSCGKSA-N 289.375 2.777 30 40 CFEB Cc1nc(-c2ccc3c(c2)N(CC#N)C(=O)[C@H](C)O3)cs1 20163514 GFHJHKPWTOSWLK-VIFPVBQESA-N 299.355 2.756 30 40 CFEB O=C1CCCC(O)=C1Sc1ccccc1C(=O)O 344134 HZZJQUMHRAFLPW-UHFFFAOYSA-N 264.302 3.000 30 40 CFEB O=C1c2ccccc2N[C@H](c2ccccc2F)N1O 374815 CIEPWGHZSVLFOH-ZDUSSCGKSA-N 258.252 2.781 30 40 CFEB C[C@H]1CN([C@@H](C#N)c2ccc(Br)cc2)CCO1 41097164 VCIWPYYCAPRKTH-GWCFXTLKSA-N 295.180 2.734 30 40 CFEB N=C1N=C(c2ccccc2)/C(=N/Nc2cccnc2)S1 103429507 YMROBHHXXIPZLB-SFELXVNISA-N 281.344 2.978 30 40 CFEB N#Cc1c(N)c(C(=O)c2ccc(F)cc2)n2c1CCCC2 35326303 DMLHVMXFRLLTQS-UHFFFAOYSA-N 283.306 2.648 30 40 CFEB COc1ccc(OC)c([C@H](C)NC[C@@H](C#N)CCC#N)c1 26715405 SKGHCSPIYMAQDG-QWHCGFSZSA-N 287.363 2.798 30 40 CFEB COC(=O)c1occc1C=C1C(=O)c2ccccc2C1=O 58245561 JIQFFOHPWSQQLN-UHFFFAOYSA-N 282.251 2.529 30 40 CFEB Cc1ccc(N/N=C(\C=O)C(=O)c2ccccc2)cc1 18193173 JWDIKYPWHGVFSC-OBGWFSINSA-N 266.300 2.845 30 40 CFEB COc1ccc(-c2nnc(SCCCC#N)n2C)cc1 5131535 KMUCHFRKQBNPKB-UHFFFAOYSA-N 288.376 2.887 30 40 CFEB COc1ccccc1/N=N/c1c(C)c(C#N)c(=O)n(C)c1O 6469829 PJJPPRUUNRDZIN-ISLYRVAYSA-N 298.302 2.695 30 40 CFEB C/C(=N\NCc1cn2ccccc2n1)c1ccccc1 4864211 SUOHJIRLYIPEAZ-CPNJWEJPSA-N 264.332 2.848 30 40 CFEB CCc1ccsc1C(=O)N[C@H](C#N)CC(C)C 69530381 XFOCONLDDMJQRR-NSHDSACASA-N 250.367 2.979 30 40 CFEB CC(C)Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)[nH]n1 69630920 CCANVEFNNZVJAR-UHFFFAOYSA-N 296.374 2.752 30 40 CFEB C#CCOC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 95406094 FBAISXXYGKFNDS-UHFFFAOYSA-N 274.320 2.522 30 40 CFEB COC(=O)C[C@@H]1CCCC/C1=N\OCc1c(C)noc1C 95449559 NGWSCKLOKKLEOU-KNEMVRMJSA-N 294.351 2.917 30 40 CFEB CC1=CCC[C@]23O[C@@H]2[C@@H](OC3=O)c2c(C)coc2C1 1525697880 KBMSVODXFLAQNJ-GUTXKFCHSA-N 260.289 2.606 30 40 CFEB Cc1cccc(COc2nn(C(C)C)c(N)c2C#N)c1 225831515 ZYYYALQFDMFJDO-UHFFFAOYSA-N 270.336 2.805 30 40 CFEB Cc1c(C(=O)O)cccc1-n1c(C)cc(C#N)c1C 223716544 LKDCNNKPONXAOT-UHFFFAOYSA-N 254.289 2.972 30 40 CFEB CC(C)Cc1nn(Cc2ccccc2F)c(N)c1C#N 225840845 KXSZJERDNZVIJM-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB C[C@H](NCC1CCC(C(N)=O)CC1)c1cccc(C#N)c1 97231022 GISQCUBRMRODQB-OPFPJEHXSA-N 285.391 2.501 30 40 CFEB C=CCNC(=O)N=c1[nH]n(-c2ccc(Cl)cc2)cc1C 390835520 PHJBOOCOVRKULF-UHFFFAOYSA-N 290.754 2.564 30 40 CFEB Clc1ccc(/C=N/N2CCOCC2)c(Cl)c1 3162906 IZKNAEPMVCCYPE-RIYZIHGNSA-N 259.136 2.660 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)C[C@H](O)CC(=C)[C@@H]2C1 1647044 OJYAVFSVHFLUKN-GUIRCDHDSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CCOC(=O)/C(=C/c1ccc(C#N)cc1)N(CC)CC 5810980 VRZXPTVDPMRBJL-PTNGSMBKSA-N 272.348 2.804 30 40 CFEB CCNC(=S)N/N=C/c1cc(C)n(C(C)C)c1C 6349341 JSMMOYQOVWPKFJ-OVCLIPMQSA-N 266.414 2.504 30 40 CFEB COC(=O)CCCCC(=O)c1cccc(F)c1C#N 575361914 RRLJVPUGXBCCQK-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB CCNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 97050298 DUDFKYOPDGZZHX-UHFFFAOYSA-N 288.294 2.805 30 40 CFEB N#Cc1ncc(C(Cl)(Cl)Cl)nc1Cl 1659787 HAWGNLYVDMAUMH-UHFFFAOYSA-N 256.907 2.828 30 40 CFEB Cc1ccc(S(=O)(=O)OC2C(C)(C)C(=O)C2(C)C)cc1 1703739 ISFJSTSHBLGJRH-UHFFFAOYSA-N 296.388 2.704 30 40 CFEB COc1ccc(CCNc2ncccc2C#N)cc1 19441914 IUJOGZXTEDSTGJ-UHFFFAOYSA-N 253.305 2.616 30 40 CFEB CO/N=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 17696588 FZHGONXQPZCYPV-YBFXNURJSA-N 292.342 2.974 30 40 CFEB O=C1/C(=C\c2ccc(O)c(O)c2)COc2ccccc21 96767381 FEXFMUQVKJRJMT-XFFZJAGNSA-N 268.268 2.757 30 40 CFEB N#CC1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 72277231 ZXPBWPUZGLRIQR-UHFFFAOYSA-N 298.321 2.592 30 40 CFEB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(C#N)c1 84637091 KGGDQTNKZXYDJU-SUMWQHHRSA-N 294.354 2.800 30 40 CFEB C/N=C1/S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1C 408929819 ONFXSZRBAPMLEB-CCQVQAEASA-N 276.361 2.536 30 40 CFEB Cc1nc(C#N)c(NCC(=O)Nc2ccc(C)c(C)c2)o1 35673400 BISZVALTLGUHCK-UHFFFAOYSA-N 284.319 2.522 30 40 CFEB O=C(OCc1ccccc1)N1CC[C@H](CS)C1 79437018 YMMWUFBUDSWXEP-LBPRGKRZSA-N 251.351 2.575 30 40 CFEB N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)nn2)cc1F 528789443 RSVFHMLOEZZHHD-OAHLLOKOSA-N 298.321 2.530 30 40 CFEB CC[C@H](SC)C(=O)Nc1ccc(F)c(C#N)c1 96483237 WVXQAEFRAMEXNT-NSHDSACASA-N 252.314 2.777 30 40 CFEB CC(=O)Nc1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 6304873 XLNUVHPNYSVVNC-LICLKQGHSA-N 297.314 2.789 30 40 CFEB O=C1COc2cccc(OCC#Cc3ccc(F)cc3)c2N1 91599272 OTGMMAYSYXUJTF-UHFFFAOYSA-N 297.285 2.587 30 40 CFEB C[C@@H]1OC2=C(C(=O)[C@H]1C)[C@H](c1ccc(Cl)cc1)OC2=O 4769456 WUMICVVEOSLLNB-UPFKWVMWSA-N 292.718 2.816 30 40 CFEB C=CCSc1nnc2c3cc(F)ccc3n(C)c2n1 4856502 FDKLMCRXFVVZLZ-UHFFFAOYSA-N 274.324 2.934 30 40 CFEB CSCC[C@H]1NC(=O)C(/C(C)=N\c2ccccc2)=C1O 102800391 DKCIYFRPVXYSHY-YUSFRKCESA-N 290.388 2.843 30 40 CFEB C=CCNC(=O)C1(c2ccc(Br)cc2)CC1 41816947 VXISWIWYFOTWCM-UHFFFAOYSA-N 280.165 2.783 30 40 CFEB C[C@H]1CCCN(c2oc(-c3cccnc3)nc2C#N)C1 35672255 UAVHHLNQMCANCE-NSHDSACASA-N 268.320 2.845 30 40 CFEB C[C@H](C#N)CN(C)C(=O)Cc1coc(-c2ccccc2)n1 58314516 VKBGTFFNGVSBEI-GFCCVEGCSA-N 283.331 2.502 30 40 CFEB CN(CC#N)Cc1cc(F)ccc1Br 69528915 SRUNUKHKXXKQLO-UHFFFAOYSA-N 257.106 2.544 30 40 CFEB C(=N/NCc1ccccc1)\c1ccc2nccnc2c1 5556911 SQIHEWAJXAHZLZ-UDWIEESQSA-N 262.316 2.754 30 40 CFEB CN(Cc1nnc2ccccn12)c1ccc(C#N)c(Cl)c1 79089446 ACGMXJKIFIZJNM-UHFFFAOYSA-N 297.749 2.891 30 40 CFEB CCOc1cc(C#N)ccc1OCc1nnc(C2CC2)o1 71824612 GEAHWVROLJXXSF-UHFFFAOYSA-N 285.303 2.796 30 40 CFEB Cc1cccc(/C(O)=N/S(=O)(=O)C2CCCC2)c1 79064986 IWTKOKIMSWUEBY-UHFFFAOYSA-N 267.350 2.572 30 40 CFEB CC[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O 95997458 XHQJXWSEZKSRMU-JTQLQIEISA-N 288.294 2.933 30 40 CFEB c1ccc(CCN/C(=N\C2CCCCC2)NC2CC2)nc1 75127776 YTEGXKILSVFDIV-UHFFFAOYSA-N 286.423 2.654 30 40 CFEB O=C(NO)c1sc2c([N+](=O)[O-])cccc2c1Cl 226289875 KHKSFRCXJXKXNN-UHFFFAOYSA-N 272.669 2.582 30 40 CFEB CC(C)Cn1nc(Cc2ccccc2)c(C#N)c1N 225834318 JMBLGXOZIIMAPP-UHFFFAOYSA-N 254.337 2.584 30 40 CFEB C#Cc1cccc(OCC(=O)c2cccc([N+](=O)[O-])c2)c1 199744072 LTVHZEDFFONBNV-UHFFFAOYSA-N 281.267 2.838 30 40 CFEB COCC(=O)N(c1c(C)cccc1Cl)[C@H](C)/C=N/OC 144284871 SUGKQRAOWWNYJH-FNQVVVRFSA-N 298.770 2.649 30 40 CFEB N#CCC1(COC(=O)c2cncc(Br)c2)CC1 96442781 DRGHIAXIWIZFRI-UHFFFAOYSA-N 295.136 2.695 30 40 CFEB CC1=C/C(=N\OC(=O)c2ccc(C)cc2)C(C)=CC1=O 3076660 VROLMOAGTOGQIQ-SAPNQHFASA-N 269.300 2.983 30 40 CFEB COC1=NCc2ccccc2[C@]2(OC)C(C)(C)[C@@]12C#N 5496380 ALMUTWXPWMCMAX-CVEARBPZSA-N 270.332 2.637 30 40 CFEB CC(=O)/C(=N\Nc1ccc(C)cc1C)C(=O)C(F)(F)F 17118056 UJIMUBYKIZDEEG-WOJGMQOQSA-N 286.253 2.792 30 40 CFEB CSc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1F 203801898 SCSKEWJZEULAJX-UHFFFAOYSA-N 286.152 2.986 30 40 CFEB N#CC1(c2ccccc2)CCN(c2ncc(F)cn2)CC1 1888903967 RXSQWKLFHAAREN-UHFFFAOYSA-N 282.322 2.677 30 40 CFEB CC(C)(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 586045073 QZQGVQBJGFYBHM-UHFFFAOYSA-N 299.418 2.685 30 40 CFEB CC(=O)c1c(Nc2ccc(CC#N)cc2)oc(C)cc1=O 27526321 BLKRVWXMILLIOB-UHFFFAOYSA-N 282.299 2.961 30 40 CFEB CCOC(=O)[C@H](C#N)CC(=O)c1ccccc1C(F)(F)F 115354024 BQVIJVKKRNWBJH-VIFPVBQESA-N 299.248 2.981 30 40 CFEB COC(=O)C#CCNc1cc(Cl)ccc1Cl 2274126 VZXATEAYEDEISR-UHFFFAOYSA-N 258.104 2.582 30 40 CFEB N#Cc1cccc(/C=C2\N=C(c3cccs3)OC2=O)c1 14176292 NJEQTVXGPZEVJI-WQLSENKSSA-N 280.308 2.964 30 40 CFEB CSc1ncccc1C(=O)Nc1ccc(C#N)cc1 6584797 IUWICYCUSAPNNC-UHFFFAOYSA-N 269.329 2.927 30 40 CFEB Cc1nc(C(=O)N[C@H](C#N)c2ccccc2C)cs1 66405641 DTAAKLAGKUGVFT-GFCCVEGCSA-N 271.345 2.755 30 40 CFEB N#CC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 17207642 VUSFOONHMNRJKY-UHFFFAOYSA-N 258.732 2.566 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 408710075 NRORRYCLVMOKID-ZIAGYGMSSA-N 282.428 2.768 30 40 CFEB Cc1ccc(Cn2nc(CC(C)C)c(C#N)c2N)cc1 225845662 YVICWYSCXQMAPH-UHFFFAOYSA-N 268.364 2.892 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 98018856 VCPYWCOKGRFGAI-RYUDHWBXSA-N 260.362 2.882 30 40 CFEB CC1(C)O[C@H](C=O)[C@@H]2CCc3c(O)cccc3[C@]2(C)O1 5028828 HYPQDBFRLCYFJP-BJJXKVORSA-N 276.332 2.520 30 40 CFEB COc1ccc(/C=C/C(=O)[C@]23CCCC[C@H]2O3)cc1OC 163750 QUUNKNVMAVPMIY-ISIQUDIPSA-N 288.343 2.998 30 40 CFEB N#Cc1c(NC(=O)CCN2CCCC2)sc2c1CCC2 40480332 HFPQVTVBLZDPGZ-UHFFFAOYSA-N 289.404 2.533 30 40 CFEB Cc1cc(C)n(C2CN(Cc3cc(C#N)ccc3F)C2)n1 70017742 DWGWMQBOLCQOPQ-UHFFFAOYSA-N 284.338 2.568 30 40 CFEB C[N+]1(C)CCC2=CC(=O)C[C@H](c3ccccc3)[C@@H]2C1 1582127 UYXUMLHNMXEDTP-IAGOWNOFSA-N 256.369 2.766 30 40 CFEB C[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[N+](C)(C)C 4064217 MTKDXEQLJAGGHQ-VLXAULBPSA-N 268.421 2.839 30 40 CFEB Cc1nc(N)sc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 8653435 CWIAFEBOESXPRW-QPJJXVBHSA-N 289.316 2.838 30 40 CFEB Cc1cc(C)c(C#N)c(SCC(=O)NC2CCCC2)n1 9378764 BBCYSXBKAOKTFZ-UHFFFAOYSA-N 289.404 2.721 30 40 CFEB C#Cc1cccc(NC(=O)CCc2c(C)noc2C)c1 24929312 OISYOCHVDLDBGZ-UHFFFAOYSA-N 268.316 2.844 30 40 CFEB CN(C)[C@@H](CN/C(N)=N/c1ccccc1)c1cccs1 57752161 JYGBIGIURCKRKZ-ZDUSSCGKSA-N 288.420 2.587 30 40 CFEB C=CCn1c(N)nnc1S[C@@H](C)c1ccccc1 36396301 PBQAPCTWILHJFT-JTQLQIEISA-N 260.366 2.900 30 40 CFEB N#CC[C@](O)(c1nc2ccccc2s1)C(F)(F)F 6084688 ZCTBKENXWAJCIN-JTQLQIEISA-N 272.251 2.960 30 40 CFEB CN(CCC#N)C(=O)CCCOc1ccccc1Cl 69739934 DFVVNXMMNOUBCK-UHFFFAOYSA-N 280.755 2.871 30 40 CFEB COc1ccc(O)c(/C=N\Nc2nc3ccccc3n2C)c1 4741995 GAEQDBYTONVKQM-YVLHZVERSA-N 296.330 2.734 30 40 CFEB C[C@H](O)CCN(C)c1ccc(Br)cc1C#N 96008485 MXACLMAXKXGPSE-VIFPVBQESA-N 283.169 2.528 30 40 CFEB COc1ccccc1CN/N=C/c1ccccc1OCC#N 20761252 PGBGRSMFMVQAFT-DEDYPNTBSA-N 295.342 2.721 30 40 CFEB C=CCOc1c(Br)cc(F)cc1C(=O)O 225277609 LOTUYMAPWRBWPE-UHFFFAOYSA-N 275.073 2.851 30 40 CFEB C=CCNC(=O)CSCc1cccc(Cl)c1 45479893 DJSBIDXODSJEFH-UHFFFAOYSA-N 255.770 2.875 30 40 CFEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1 222285349 QIESSCZYAMITEQ-YHVKKHOISA-N 294.354 2.526 30 40 CFEB C=C[C@@H](O)C#CC#C[C@H](/C=C/CCCCC)OC(C)=O 95933354 BSDJVZWJXREWPD-FIRJTHROSA-N 274.360 2.608 30 40 CFEB biogenic Cc1c(C#N)c(N2C[C@@H](C)C[C@@H](CO)C2)nc2ccccc12 591462692 JPIGVCAWUYDZPG-GXTWGEPZSA-N 295.386 2.870 30 40 CFEB Cc1nn(C)c(C)c1/N=C/c1ccc([N+](=O)[O-])cc1 273773 NKBOPGHXFGUGAK-RIYZIHGNSA-N 258.281 2.696 30 40 CFEB COc1cc(/C=N/c2ccccc2C)ccc1OCC(N)=O 361247 RIWJGAYAIGRBHJ-VXLYETTFSA-N 298.342 2.618 30 40 CFEB CC/C(O)=N/C(=N)Nc1nc(C)c2ccc(OC)cc2n1 4025473 FNCVBZZSWGRCTK-UHFFFAOYSA-N 287.323 2.660 30 40 CFEB biogenic CC1(C)OB(c2cc([N+](=O)[O-])c3occc3c2)OC1(C)C 203815858 IAAUGZLNWXYWLA-UHFFFAOYSA-N 289.096 2.640 30 40 CFEB C[C@H]1Cc2ccccc2N1CC(=O)NC1(C#N)CCCCC1 9469578 FJBIBPCZNLUZBM-AWEZNQCLSA-N 297.402 2.780 30 40 CFEB CN(C)C1CCC(Oc2ncc(C#N)cc2Cl)CC1 585651558 FLPJRHFZGVMCMI-UHFFFAOYSA-N 279.771 2.858 30 40 CFEB C=CCN1C(=O)CN2c3ccccc3C(C)(C)[C@@]12C 88514 KUVPXKIWMASROL-INIZCTEOSA-N 256.349 2.529 30 40 CFEB biogenic CC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc1ccccc1 103504227 JAFMREGVYDBWJA-LBPRGKRZSA-N 258.321 2.770 30 40 CFEB CN(C)c1ccccc1NC(=O)c1ccc(C#N)cc1 23152014 JDNLTBQYUIQTHB-UHFFFAOYSA-N 265.316 2.877 30 40 CFEB C#CCn1cnc(-c2ccc(Br)cc2)c1N 100761284 NZVUOPVNZIBWOP-UHFFFAOYSA-N 276.137 2.528 30 40 CFEB N#Cc1ccc(F)cc1CN1CCCC[C@@H]1c1nc[nH]n1 97055824 RGXOMPXAMVMLAL-CQSZACIVSA-N 285.326 2.543 30 40 CFEB COc1ccc(C)cc1C(=O)/C=C/c1csnn1 44026091 LLMPHJWGBFCLJH-SNAWJCMRSA-N 260.318 2.751 30 40 CFEB CCCCCCCCCCCCNC(=O)C(=O)NC 105453245 ALWGITKCMFNDCH-UHFFFAOYSA-N 270.417 2.770 30 40 CFEB O=C(Cc1c[nH]c2ccccc12)NCC#Cc1ccccc1 12874852 MAHMPLTZVNRZNZ-UHFFFAOYSA-N 288.350 2.878 30 40 CFEB CCc1ccc(N/C(N)=N/C[C@H](C)Cn2cccn2)cc1 69770793 MJAGOVJMEDJCJG-ZDUSSCGKSA-N 285.395 2.508 30 40 CFEB Cc1cccn2cc(CC(=O)NC3(C#N)CCCCC3)nc12 71792662 YFROBOOTEBBDDX-UHFFFAOYSA-N 296.374 2.528 30 40 CFEB COc1cc(/C=C/c2nccc(C#N)n2)ccc1F 89426739 KBCOBMMVVCHETL-HWKANZROSA-N 255.252 2.666 30 40 CFEB CCc1ccc2[nH]c3nc(SCC#N)nnc3c2c1 35291040 NVZKURMTAHXHDE-UHFFFAOYSA-N 269.333 2.684 30 40 CFEB C[C@H](c1ccccc1)[C@@H](C=O)NC(=O)OC(C)(C)C 199828779 PHAYUDMPNKQKSL-DGCLKSJQSA-N 263.337 2.882 30 40 CFEB CC(C)C(/C=C\c1ccc(Cl)cc1)=N\NC(=S)NN 17250067 VTLQMLSUPNJTPZ-LNMPKDKUSA-N 296.827 2.703 30 40 CFEB C(=N/Nc1ccncc1)\c1c[nH]nc1-c1ccccc1 8436339 OZVMFZGZSDZYMV-LICLKQGHSA-N 263.304 2.918 30 40 CFEB C=CCSc1nnc([C@H](N)Cc2ccccc2)o1 11903976 LQNKTYURYVPSIA-LLVKDONJSA-N 261.350 2.590 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(C)o1)O2 429869 KLCNQGUDKDKPDG-ZSOIEALJSA-N 284.267 2.991 30 40 CFEB CCCN(CC#N)C/C(O)=N/C1(C#N)CCCCCC1 82067954 DNDPBRAXGYPVAE-UHFFFAOYSA-N 276.384 2.795 30 40 CFEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccs1 20638121 PHHDETKFLNKIQW-RNCFNFMXSA-N 294.339 2.779 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102441300 WDNWRRYSBLFAJP-GMTAPVOTSA-N 278.377 2.738 30 40 CFEB CSc1nc2n(n1)[C@H](c1ccccc1)/C(=N/O)C(C)=N2 100105494 GXAJLHARHZYEJS-JDAJCMJVSA-N 287.348 2.526 30 40 CFEB CN(CCC#N)C(=O)c1ccc(SC(F)F)cc1 58293580 GUYDQXLPKRAMSA-UHFFFAOYSA-N 270.304 2.987 30 40 CFEB N#Cc1cccnc1NCCCN1CCc2ccccc21 26774804 QRRVVDQTWGKNFA-UHFFFAOYSA-N 278.359 2.818 30 40 CFEB COc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1 49151663 ISFUSEWRNQXUQT-JXMROGBWSA-N 270.332 2.942 30 40 CFEB COc1ccc(-c2ccnc(SCC#N)n2)cc1 5917812 XOEVRSGGYZHJPY-UHFFFAOYSA-N 257.318 2.768 30 40 CFEB C=CCO/N=C1\CC(C)(C)CC(=O)[C@@H]1C(=O)CCC 16134140 YMMRKNYKBVXAAS-LUYJPIOASA-N 265.353 2.920 30 40 CFEB CCCCCOC1CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 95409152 GZJNNYVTYROKQP-UHFFFAOYSA-N 289.335 2.862 30 40 CFEB CCCCCCCNC(=O)C(=O)NC1CCCCC1 408707266 LYRVTZDWHYOJTH-UHFFFAOYSA-N 268.401 2.522 30 40 CFEB Cc1cccc(Cn2nc(C(C)C)c(C#N)c2N)c1 225844758 NYFOQDOXIAGCGB-UHFFFAOYSA-N 254.337 2.817 30 40 CFEB CC[C@](C)(CC(=O)OC)NCc1ccc(F)c(C#N)c1 96473770 RINFWQIOONOPBP-OAHLLOKOSA-N 278.327 2.519 30 40 CFEB Cc1cccc(NC2CCN(C[C@H](C#N)CCC#N)CC2)n1 96483347 RZACZNRHQNQAPV-HNNXBMFYSA-N 297.406 2.710 30 40 CFEB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 97378283 QPYPWNQMZWPQOC-KDOFPFPSSA-N 295.386 2.761 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3[nH]2)s1 5387667 VUTCYOHTQZTWQF-NTUHNPAUSA-N 287.304 2.979 30 40 CFEB C=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2nn1C 390764693 CVWPLAMAPZEPNI-UHFFFAOYSA-N 298.195 2.906 30 40 CFEB CSc1nc2n(n1)[C@@H](c1ccccc1)/C(=N/O)C(C)=N2 100105495 GXAJLHARHZYEJS-MUOOZZNISA-N 287.348 2.526 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1cccs1 20834456 VKAFEQJFRCYURW-JXIANXGOSA-N 280.393 2.794 30 40 CFEB CCOc1ccc(C(=O)C[N+]2=C(C)c3cccn3CC2)cc1 1792329 XLXSPLPPCQVRGF-UHFFFAOYSA-N 297.378 2.605 30 40 CFEB COc1ccc(/C=N/[C@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 4785712 CZTMDZPKDBTDSQ-VNYCVXIASA-N 260.381 2.843 30 40 CFEB N#C[C@H]1CCCC[C@H]1OC(=O)CCc1nc(C2CC2)no1 76090723 VCLFECHVMIDRJY-VXGBXAGGSA-N 289.335 2.505 30 40 CFEB COC(=O)CCCCC1=CC[C@H]2C(O)=CC(=O)[C@@H]2C1 104276579 WJGOIDZQTASVPJ-VXGBXAGGSA-N 264.321 2.697 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C1CCCCC1)CCO2 107720867 XVCXEBOQXFEHBP-OAGGEKHMSA-N 265.397 2.754 30 40 CFEB O/C(=N\c1nncs1)C(F)(F)c1ccccc1 44397309 VCIWYOYLPIEFAG-UHFFFAOYSA-N 255.249 2.918 30 40 CFEB COc1ccc([C@@H](CNc2ncccc2C#N)N(C)C)cc1 36226921 ISALZJJZXINPSP-MRXNPFEDSA-N 296.374 2.677 30 40 CFEB Cc1noc(C(C)C)c1C(=O)NCc1cccc(C#N)c1 45217248 OIOHVZPQXLPEQQ-UHFFFAOYSA-N 283.331 2.908 30 40 CFEB Cc1cc(C)cc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 36390573 YJYVBXWNYFMBPU-INIZCTEOSA-N 271.364 2.524 30 40 CFEB C/C(=N\OCc1ccccc1)c1cccc(-n2cnnn2)c1 11103537 FZQMJBZRHHNQAN-QGOAFFKASA-N 293.330 2.603 30 40 CFEB N#CCN(C(=O)c1ccc(F)c(Br)c1)C1CC1 98013887 NDRPEXWZCINACE-UHFFFAOYSA-N 297.127 2.716 30 40 CFEB C#CCSCCNC(=O)N(CC)c1ccccc1 95960823 IBIMCFWHCCXKIA-UHFFFAOYSA-N 262.378 2.589 30 40 CFEB CC(=O)OCCC#CCN1CCCC[C@@H]1c1cccnc1 55382686 SDVHQAJDMWWMRQ-QGZVFWFLSA-N 286.375 2.565 30 40 CFEB biogenic COc1ccc(OC)c(C(=O)/C=C/c2ccccn2)c1 32117164 IFVYHGWAYJRFGN-SOFGYWHQSA-N 269.300 2.995 30 40 CFEB C=C(C)COc1nc2c(cc1C#N)COC(C)(C)C2 32124377 AZNLFGGQPWCWSW-UHFFFAOYSA-N 258.321 2.759 30 40 CFEB biogenic C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CC#N)cc1 130347041 CSMPOOAUZFIPFJ-CQSZACIVSA-N 285.391 2.591 30 40 CFEB N#Cc1c[nH]c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 89762063 CQPBOGSPYOUBFH-OCCSQVGLSA-N 257.337 2.681 30 40 CFEB CCOCCC/C(O)=N/S(=O)(=O)c1cc(C)ccc1C 48472379 QIMAEDADKGLAHH-UHFFFAOYSA-N 299.392 2.765 30 40 CFEB N#CCN/C=C\C(=O)c1cc(Cl)ccc1Cl 16384794 VNQJLTOGFBLBPM-HYXAFXHYSA-N 255.104 2.803 30 40 CFEB C=C(C)CN(C)C(=O)c1cc(Br)c(C)nc1O 152862961 ADWWFNLMIBZSAL-UHFFFAOYSA-N 299.168 2.506 30 40 CFEB N#Cc1cc2c(nc1Sc1ncccc1[N+](=O)[O-])CCC2 13575439 WIVQQBBVTRSPEX-UHFFFAOYSA-N 298.327 2.896 30 40 CFEB C=CCNC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 30007359 UMBJRWLJJGYMIU-CQSZACIVSA-N 287.407 2.780 30 40 CFEB O/N=C/c1cc(Cl)cc(Br)c1O 11893250 QKOMANNWQUTITK-XCVCLJGOSA-N 250.479 2.616 30 40 CFEB CN1CCC/C1=N\C(=N/c1ccccc1)N1CCCC1 104228864 UFJFKQGRZLHOBO-UNXSSPOQSA-N 270.380 2.894 30 40 CFEB CC(C)(C)C1CCC(=N/N=C2\NC(=O)CS2)CC1 9189462 MOVBREGZOYEGHE-UHFFFAOYSA-N 267.398 2.798 30 40 CFEB OCC/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 100466376 QSIPHPLGPPTIRM-UYRXBGFRSA-N 291.354 2.951 30 40 CFEB Cc1nc(-c2ccc3c(c2)N(CC#N)C(=O)[C@@H](C)O3)cs1 20163515 GFHJHKPWTOSWLK-SECBINFHSA-N 299.355 2.756 30 40 CFEB C=C[C@@]1(O)C[C@@H]2[C@H]3C4C5[C@H](CC[C@@H]5[C@H]5[C@@H]4[C@H]2C[C@]5(O)C=C)[C@@H]31 104291313 HHDXNQYASCNGKB-CZJAIIJCSA-N 298.426 2.625 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1C#N 3445260 COIXUOIGLXYUHQ-JSGCOSHPSA-N 272.348 2.632 30 40 CFEB Cc1sc(/N=C2/C(=O)Nc3ccccc32)c(C(N)=O)c1C 18276337 VTSORAKUZKYHNU-UHFFFAOYSA-N 299.355 2.537 30 40 CFEB CCOCCCC/N=C(/N)Nc1cc(C)cc(C)c1 72272482 FZMLQOGTKVGQER-UHFFFAOYSA-N 263.385 2.847 30 40 CFEB CNC(=S)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 408604149 TUXBWOAFWXFTTL-REZTVBANSA-N 295.314 2.653 30 40 CFEB O=C(/C=C/c1ccncc1)c1ccc(N2CCOCC2)cc1 9377378 BXBQFAOFMWZQDG-LZCJLJQNSA-N 294.354 2.814 30 40 CFEB CC(C)c1cc(CN/C(=N/C2CC2)NC[C@@H]2C[C@@H]2C)on1 95406137 GAAJHIDDMONKQX-RYUDHWBXSA-N 290.411 2.652 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1 31717051 VRDOYECAVMYCTL-SECBINFHSA-N 271.238 2.574 30 40 CFEB N#Cc1cnc(N[C@@H]2CCCC[C@@H]2CO)c(Cl)c1 96418715 REOOCEQQGKYCFC-ZYHUDNBSSA-N 265.744 2.570 30 40 CFEB O/N=C1/C(c2ccccc2)=Nc2nc3ccccc3n21 5387587 QIOCWOFIHBNTPG-JXAWBTAJSA-N 262.272 2.807 30 40 CFEB N#Cc1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 4585198 BOMBMIPIHUSWKJ-UHFFFAOYSA-N 279.274 2.763 30 40 CFEB Cc1ccccc1/C=N/n1c(S)nnc1C(F)F 2791080 FUFNGBDEKXVGAY-MKMNVTDBSA-N 268.292 2.695 30 40 CFEB OC1=Nc2cc3c(cc2/C1=N/Nc1ccccc1)OCCO3 58625318 YBMRLQBBIZAHTL-UHFFFAOYSA-N 295.298 2.876 30 40 CFEB CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1ccco1 68658659 UCRJDNIZBJENNI-VIFPVBQESA-N 296.783 2.976 30 40 CFEB CCCN(C)c1ccc(C(=O)N(CCC#N)CCC#N)cc1 69351169 GUWRHIDJCGEIAE-UHFFFAOYSA-N 298.390 2.802 30 40 CFEB CN(Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1O 69559342 MWLVVNKYCJFQPV-UHFFFAOYSA-N 297.314 2.804 30 40 CFEB Cc1ccc(CCN2CCN([C@H](C#N)C(C)C)CC2)cc1 95960470 FOSJJRBXRHBRTL-GOSISDBHSA-N 285.435 2.703 30 40 CFEB N#Cc1c(F)cccc1NCCCOC[C@@H]1CCOC1 77229851 LPPPWQWAPCZOGI-LBPRGKRZSA-N 278.327 2.552 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2occc2C)c(F)c1 75040374 NPGXIWHXGGQBJL-UHFFFAOYSA-N 297.307 2.729 30 40 CFEB C=C(C)COc1ccc(-c2noc(CCC(=O)O)n2)cc1 72228380 BDYWKFVOXSWGQF-UHFFFAOYSA-N 288.303 2.709 30 40 CFEB C#CCOC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 73640159 LVJABKDRSBEPHX-UHFFFAOYSA-N 285.255 2.953 30 40 CFEB CC(C)(CNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C 75061611 ZOVOEOPJQWKBLA-UHFFFAOYSA-N 290.367 2.668 30 40 CFEB Cn1cc(CCC/N=C(/O)c2ccc3cc[nH]c3c2)cn1 330032037 HJHDDCFUHOIAAJ-UHFFFAOYSA-N 282.347 2.839 30 40 CFEB N#CCCCCS(=O)(=O)N[C@@H]1C[C@H]1C1CCCCC1 96428341 WEIAVECMBZKXEP-UONOGXRCSA-N 284.425 2.568 30 40 CFEB CCCc1cc(=O)[nH]c(SCc2ccccc2C#N)n1 14638095 IDRVLDABGDAYAN-UHFFFAOYSA-N 285.372 2.886 30 40 CFEB CC1(C)CC(=O)C(=CNC(=S)c2ccccc2)C(=O)C1 5734408 BYHXXZCGEWZOGT-UHFFFAOYSA-N 287.384 2.794 30 40 CFEB CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)CCN(C)C 16939774 DGPDWMMWIGHZLO-GXDHUFHOSA-N 279.767 2.833 30 40 CFEB C(=N\N=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 17163879 MBQLJZPLRISBPE-MZAUSLISSA-N 296.282 2.597 30 40 CFEB C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 12592708 ZWYIXJJDJBZZGE-LLVKDONJSA-N 277.393 2.680 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1F 40357829 MQVQZCHWELXIEV-GFCCVEGCSA-N 254.692 2.901 30 40 CFEB Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)n1 8702990 ZFVGRUFIGYEIFY-UHFFFAOYSA-N 254.249 2.914 30 40 CFEB Cc1ccc(Cn2nnc(-c3ccccc3C#N)n2)cc1 59639076 MPXPKJFYNHTXSF-UHFFFAOYSA-N 275.315 2.569 30 40 CFEB N#CC1(C#N)[C@H]2C=C3CCCC[C@]3(CC2)C1(C#N)C#N 101048441 BGFVLADGRSOMNS-ZIAGYGMSSA-N 262.316 2.964 30 40 CFEB N#Cc1ccc(NC[C@H]2CCC[C@@H]2O)cc1Cl 72298291 LBZYLOBIZMBZCN-MFKMUULPSA-N 250.729 2.785 30 40 CFEB C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 3564860 PBBJKQWIPUSHPX-NSHDSACASA-N 291.782 2.882 30 40 CFEB Cc1cc([N+](=O)[O-])ccc1/N=C1\N=C(N)c2ccccc21 4056603 LENOKGWQFDDHLU-UHFFFAOYSA-N 280.287 2.700 30 40 CFEB C=C(Br)CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 67238047 KUPMXVOMQNRNPP-NEPJUHHUSA-N 298.155 2.954 30 40 CFEB CC[C@@H](C#N)NC(=O)c1ccc(Oc2cccnc2)cc1 69418378 FUBSTPGWDLKJCR-ZDUSSCGKSA-N 281.315 2.906 30 40 CFEB COc1cccc(NC(=O)Nc2nn(C(C)C)cc2C#N)c1 89894020 ILSGZHMFAWWJIE-UHFFFAOYSA-N 299.334 2.988 30 40 CFEB N#Cc1nc(-c2cccnc2)oc1N1CCCCC1 35672295 IRHVFSUZNIRCLN-UHFFFAOYSA-N 254.293 2.599 30 40 CFEB CCCCc1nc(SCCC)nc(N)c1C#N 225892680 AEGZCRHWCGEYNB-UHFFFAOYSA-N 250.371 2.775 30 40 CFEB C[C@@](N)(C#N)CCc1ccc(Br)cc1 41323008 MOZLHXBGAIPYEG-NSHDSACASA-N 253.143 2.623 30 40 CFEB N#Cc1c(F)cccc1C(=O)COc1ccccc1 575243241 YEBCFHIGWOENSQ-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB COc1cccc(CN(C)C[C@H](C#N)CCC#N)c1OC 32514480 IRAXYYBRLNDWCD-ZDUSSCGKSA-N 287.363 2.579 30 40 CFEB C=CCCC(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C 84637254 DVFBWPIGOSVXRB-GFCCVEGCSA-N 284.400 2.714 30 40 CFEB CCCN(CC#N)C(=O)CCOc1cc(C)cc(C)c1 59934117 UNUWBNJBNBOYJO-UHFFFAOYSA-N 274.364 2.835 30 40 CFEB COc1ccc([C@@H](O)C2=CC(=O)c3ccccc3C2=O)cc1 1688850 ANGZQESMCWBZAV-QGZVFWFLSA-N 294.306 2.734 30 40 CFEB COC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 52507883 CKQGKSYLJHXZRU-ZCFIWIBFSA-N 278.617 2.534 30 40 CFEB Cn1/c(=N\N=C/c2ccc(O)cc2)sc2ccccc21 4719043 ONAVVGHPKWACPG-DLTLIZDRSA-N 283.356 2.880 30 40 CFEB O=C1CCCC2=C1[C@H](c1cccs1)Nc1nonc1N2 12408401 HEAQSNNWBYOAPN-NSHDSACASA-N 288.332 2.717 30 40 CFEB C[C@@H]1CN(c2cccc(Cl)c2C#N)CCCO1 61932245 DQJLPOZIZRSGOP-SNVBAGLBSA-N 250.729 2.827 30 40 CFEB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(C#N)c1 12992592 QOJGWJBZPZSMEA-UHFFFAOYSA-N 294.310 2.559 30 40 CFEB Cc1ccc(C(=O)Nc2nnc(SCC#N)s2)cc1 27664638 CXEXRFLSHKQAQM-UHFFFAOYSA-N 290.373 2.715 30 40 CFEB C=C(C(=O)OC)[C@@H](O)c1csc(-c2ccccc2)n1 19835686 CKXGQEPBUHFIFN-GFCCVEGCSA-N 275.329 2.573 30 40 CFEB C#CCOc1ccc(F)cc1NC(=O)CCc1cccnc1 96423525 UIVYXLIRCAZQAR-UHFFFAOYSA-N 298.317 2.804 30 40 CFEB C#CCNC(=O)N(C1CC1)[C@H](C)c1ccccc1F 96431302 ROFJDXYUHLGSCD-LLVKDONJSA-N 260.312 2.694 30 40 CFEB Cn1cc(CNc2oc(-c3ccccc3)nc2C#N)cn1 61997365 AHEPXJFWJISVIB-UHFFFAOYSA-N 279.303 2.559 30 40 CFEB C=CCNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564576 KSWRXHKNYQMAAU-UHFFFAOYSA-N 282.347 2.753 30 40 CFEB C=CCn1nc(C)c(CCC(=O)Nc2nccs2)c1C 72243102 YBSUGFKCTPNWPT-UHFFFAOYSA-N 290.392 2.714 30 40 CFEB CCCc1nc(SC2CCCC2)nc(N)c1C#N 225891854 DLVPBHNJHPPPCF-UHFFFAOYSA-N 262.382 2.918 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 225324575 IHQBAECYEZITDQ-ZDUSSCGKSA-N 277.295 2.520 30 40 CFEB CN(C)c1c(N)cc(C#N)n1Cc1ccccc1Cl 225863608 SRKIYLHMXKWEAI-UHFFFAOYSA-N 274.755 2.710 30 40 CFEB C[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(C#N)cc1 42099874 CGPNNRPSOFNTIY-GFCCVEGCSA-N 290.330 2.707 30 40 CFEB C=CCN(Cc1ccc(C(N)=O)cc1)C1CCCC1 53317312 MAMATBUCYUTVRU-UHFFFAOYSA-N 258.365 2.716 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 69439480 PHFCPNMZJHGOEE-INIZCTEOSA-N 285.391 2.704 30 40 CFEB COc1ccc2ccccc2c1/C=N/n1c(C)nnc1S 5547783 XSVDNNOYBCCSKS-CXUHLZMHSA-N 298.371 2.919 30 40 CFEB Cn1cnc2cc(/C=C/B3OC(C)(C)C(C)(C)O3)cnc21 209784378 UBKMZEZBPRASRY-VOTSOKGWSA-N 285.156 2.613 30 40 CFEB Cc1nn(C)c(Cl)c1/C=N/OC(=O)c1cccs1 159850 ULMXEJNNQFCEJK-AWNIVKPZSA-N 283.740 2.634 30 40 CFEB C=C1C[C@@H](O)C[C@@]2(C)CC[C@@H](C(=C)C(=O)O)C[C@H]12 14451517 OJYAVFSVHFLUKN-RGCMKSIDSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro N#Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4330279 NEYSKOGBXKIFGX-UHFFFAOYSA-N 290.282 2.861 30 40 CFEB COc1cc2c(cc1OC)C(CC#N)=NC(C)(C)C2 100087905 GGWIVRMILGZNSD-UHFFFAOYSA-N 258.321 2.741 30 40 CFEB COc1cccc(CN(C)c2ccc(C#N)cn2)c1 40480062 NFLYSDHGLQBORM-UHFFFAOYSA-N 253.305 2.598 30 40 CFEB C=CCNC(=O)Nc1ccc(N2CCSCC2)c(C)c1 69811012 RCCIAVNJVZXOCI-UHFFFAOYSA-N 291.420 2.856 30 40 CFEB C[C@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 32644826 ZWUIULVZQIAUJV-GWJCSSMESA-N 254.333 2.830 30 40 CFEB C=C(C)CSc1nnc(-c2ccc(Cl)cc2)n1N 531632 WKQHATXGWBOMMD-UHFFFAOYSA-N 280.784 2.981 30 40 CFEB CC(=O)Oc1cccc2c1C(=O)C(Cl)=C(Cl)C2=O 1236554 MDRSKBVCOKBBAX-UHFFFAOYSA-N 285.082 2.680 30 40 CFEB Cc1ccccc1-n1ncc(C(=O)N(C)C[C@@H](C)C#N)c1C 58357320 QFCAYWLZYQHSGZ-LBPRGKRZSA-N 296.374 2.721 30 40 CFEB CSc1nc(N)c(C#N)c(COc2ccc(C)cc2)n1 223686128 GNJJVKZJWILUPG-UHFFFAOYSA-N 286.360 2.540 30 40 CFEB COc1ccc(-n2nc(C#N)c(N3CCCCCC3)n2)cc1 256048808 WGIOITSIGDOOOP-UHFFFAOYSA-N 297.362 2.528 30 40 CFEB Cc1ccc2nc(CNc3nnc(C)c(C)c3C#N)cn2c1 54836249 AONMMLRBUUPSRM-UHFFFAOYSA-N 292.346 2.533 30 40 CFEB N#Cc1cc(F)c(N[C@H]2CC[C@H](O)CC2)c(F)c1 104314784 ZQIPYBZVHSLLBQ-AOOOYVTPSA-N 252.264 2.552 30 40 CFEB CC1=C2C(=O)Oc3ccccc3[C@@H]2C2=C(CCCC2=O)N1 19690621 ANEYELUNXKPNLP-HNNXBMFYSA-N 281.311 2.574 30 40 CFEB CSC(SC)=C(C(C)=O)C(=O)OC(C)(C)C 1565504883 ZSOZEQYWIUMZSH-UHFFFAOYSA-N 262.396 2.855 30 40 CFEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 8619718 UYBXUZBWQBNSNV-UHFFFAOYSA-N 254.333 2.714 30 40 CFEB N#Cc1cccc(C(=O)NCCSC2CCCC2)c1 40082571 XYROLWHSYCYWIG-UHFFFAOYSA-N 274.389 2.964 30 40 CFEB N#Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1Cl 40105603 YMTSPMKYPIGMIF-UHFFFAOYSA-N 298.795 2.776 30 40 CFEB C=CCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 21787377 DCCRTJMRKLIGHV-HNNXBMFYSA-N 269.348 2.906 30 40 CFEB C=CCNc1nc(C)nc2sc(C(=O)OC)c(C)c12 9579409 QTMCOXJAJHYRKR-UHFFFAOYSA-N 277.349 2.693 30 40 CFEB CCCCCCCCNC(=O)C(=O)NC1CCCCC1 100999759 OZVGFXWSXACWTB-UHFFFAOYSA-N 282.428 2.912 30 40 CFEB CCOCCCNC(=O)Nc1ccc(Cl)c(C#N)c1 43913559 QBAWUUOIPDFALQ-UHFFFAOYSA-N 281.743 2.760 30 40 CFEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C(C)C)c2)c1 3251955 ABDCYPUXXDRWQZ-UHFFFAOYSA-N 296.326 2.546 30 40 CFEB C[C@H]1C(=O)C(c2ccc(F)cc2)=C(N)N1c1ccccc1 3211907 HSVUXFSMFYPALR-NSHDSACASA-N 282.318 2.931 30 40 CFEB N#Cc1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 8724068 WGWBMZRUVLQFFF-HNNXBMFYSA-N 292.294 2.799 30 40 CFEB N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1 6909540 PUDZZLFPSPRZLF-MDZDMXLPSA-N 273.295 2.965 30 40 CFEB C/C(=N\N=C1/NC(=O)CS1)C12CC3CC(CC(C3)C1)C2 72433966 QBCAKMBUGICVCZ-RQZCQDPDSA-N 291.420 2.798 30 40 CFEB O=[N+]([O-])c1ccc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 408961129 AICLRGDKWKLBHG-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB COc1ccc(CN/N=C/c2ccc(F)cc2)cc1OC 20195952 BLBGVUSJSGVKCS-VCHYOVAHSA-N 288.322 2.967 30 40 CFEB N#C[C@H]1C[C@H](c2ccccc2)c2sc(=O)[nH]c2S1 96306220 VVIJKNUONOKNRU-NXEZZACHSA-N 274.370 2.956 30 40 CFEB CCOC(=O)c1ccccc1N/C=C1/CCCC1=O 95471738 XWCDWPHWMXVTEL-KHPPLWFESA-N 259.305 2.912 30 40 CFEB O=C1C=C(Nc2ccc(O)cc2)c2ccccc2C1=O 100012413 ZBFVKGMCQZUOEW-UHFFFAOYSA-N 265.268 2.611 30 40 CFEB C=CC(=O)O[C@](C#N)(C(F)(F)Cl)C(F)(Cl)Cl 169797753 UWUDPZLUUWIARW-YFKPBYRVSA-N 296.459 2.910 30 40 CFEB CCOCCSc1ccc([N+](=O)[O-])cc1C#N 96436780 UAPILTVQVUQJSL-UHFFFAOYSA-N 252.295 2.595 30 40 CFEB C#CCN(C1CCCCC1)S(=O)(=O)Cc1ccccc1 96999846 WSVQXHWNPZYUII-UHFFFAOYSA-N 291.416 2.784 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccncc2)cc1OC 5550238 FLXXEIREWHPHOS-HWKANZROSA-N 269.300 2.995 30 40 CFEB CCn1c(C)cs/c1=N/N=C/c1cccc(O)c1 2887860 NNVHCSNOBNPQEQ-XBXUPPNFSA-N 261.350 2.518 30 40 CFEB CN(C)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)cc1 85783 SRLRCHHHTVDWFX-NTEUORMPSA-N 297.310 2.780 30 40 CFEB biogenic CSc1cccc(/N=C2/SCC(=O)N2C)c1 101509565 QIQPVIMJGPXLFI-VAWYXSNFSA-N 252.364 2.601 30 40 CFEB O/N=C1/CCCc2c1nc(-c1cccc(Cl)c1)n2O 101411792 TUXQFHQYTAFZJG-YBEGLDIGSA-N 277.711 2.955 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3[C@H]4CC[C@@H]4[C@H]23)cc1 101046579 PWROZVJTPAXOPA-YTFOTSKYSA-N 278.373 2.745 30 40 CFEB C=CCOC(=O)c1ccc(NC(C)=O)c(SC)c1 58179025 CHMNSSFWTRSYKK-UHFFFAOYSA-N 265.334 2.710 30 40 CFEB Cc1noc(C)c1CN(C)c1snc(Cl)c1C#N 44975461 HVTUZEPXOLNYLQ-UHFFFAOYSA-N 282.756 2.909 30 40 CFEB N#Cc1cccc(S(=O)(=O)N2CCCCCCC2)c1 7377802 HGXOEBCMYKJBDU-UHFFFAOYSA-N 278.377 2.513 30 40 CFEB C=CCN(C(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 95459115 ISMOFWYAGNCYSZ-UHFFFAOYSA-N 299.374 2.996 30 40 CFEB C=CCNc1ncc(-c2cnccn2)c(-c2ccco2)n1 72398151 QETYUDUGNMYMRZ-UHFFFAOYSA-N 279.303 2.792 30 40 CFEB CC[C@H]1CN(CCCC#N)[C@H](CC)CN1CCCC#N 77318713 SAJUVTKYZJWTSA-IYBDPMFKSA-N 276.428 2.769 30 40 CFEB Cc1ccccc1-c1csc2c(=O)n(CC#N)cnc12 44166715 PRUIUUVPDLKCOF-UHFFFAOYSA-N 281.340 2.957 30 40 CFEB C=CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1C 227151123 HWOBQHYKKQXZCI-UHFFFAOYSA-N 299.374 2.640 30 40 CFEB CCc1cc(N=C(O)c2c(CC)noc2C)nc(C)n1 330884549 POSVDEMIGQQDHW-UHFFFAOYSA-N 274.324 2.843 30 40 CFEB COc1c(C(=O)CC#N)ccc(Br)c1F 98210934 AFNYSXKJYZXZGX-UHFFFAOYSA-N 272.073 2.693 30 40 CFEB N#Cc1cc(N2CCC(CO)CC2)ccc1C(F)(F)F 95971884 CXEVOIHUMFMJKX-UHFFFAOYSA-N 284.281 2.786 30 40 CFEB N=c1scc(-c2ccccc2)n1/N=C\c1cccnc1 17148268 FJRMVYMOPOBWHN-IGEXYENGSA-N 280.356 2.973 30 40 CFEB C=CCOc1ccccc1/C=C(/C(C)=O)C(=O)OCC 5324667 LOAFIEKDBWZLBV-KAMYIIQDSA-N 274.316 2.787 30 40 CFEB Fc1ccccc1/C=N/NC(=S)NCc1ccccc1 3229218 JJPKMXVKLPRLIM-WOJGMQOQSA-N 287.363 2.824 30 40 CFEB C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1C#N 953067618 OHAHYLXPVGEPCR-TZMCWYRMSA-N 258.321 2.805 30 40 CFEB C=CCN1C(=O)S/C(=C\c2cccs2)C1=O 6947296 VYLXGUMFXVPUKV-CLFYSBASSA-N 251.332 2.970 30 40 CFEB O=C1C2=C(c3ccccc31)[C@@H](c1ccccc1)NC(=S)N2 8653507 TXHPOZJDVVNWEG-CQSZACIVSA-N 292.363 2.813 30 40 CFEB COC(=O)c1ccccc1CN(CC#N)C1CCCC1 93563088 OVNQSRHKSBSXET-UHFFFAOYSA-N 272.348 2.741 30 40 CFEB Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N 3029830 DDUXHSKYHKASIU-UHFFFAOYSA-N 256.280 2.524 30 40 CFEB CN(C)c1ccc(/C=N/n2cnc3ccccc32)cc1 3187021 WDEPJPPTFCRSNW-WOJGMQOQSA-N 264.332 2.985 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCCC#N)C[C@H]21 108498839 VCUYWHZLHSWDKW-MGPQQGTHSA-N 293.411 2.525 30 40 CFEB COc1ccccc1/C=N/NCc1ccccc1OC 20761188 PDQBHOHYPJROPC-GZTJUZNOSA-N 270.332 2.828 30 40 CFEB CCCCCc1nnc(/N=C(\O)C2=COCCO2)s1 12861304 HZAVOMKOIGBUNH-UHFFFAOYSA-N 283.353 2.747 30 40 CFEB CCOC(=O)c1ccc(N/C=C/C(=O)C(F)(F)F)cc1 6173782 SLJQIJCNVCIOIG-BQYQJAHWSA-N 287.237 2.920 30 40 CFEB Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21 409108218 VTTOZBUIZHQDIT-RQZCQDPDSA-N 295.302 2.928 30 40 CFEB Cc1nccn1CCCNc1ccc(C#N)cc1F 78333548 JWPVJYGNDJNMSB-UHFFFAOYSA-N 258.300 2.705 30 40 CFEB Cc1cccc(C(=O)O/N=C2/C[C@H](C)N(C)C[C@H]2C)c1 13634897 WSBKLQGARDLANT-OJVXUPTESA-N 274.364 2.868 30 40 CFEB Cc1cccc2c3c(ccc12)C(O)=C([C@H](C)CO)C(=O)C3=O 100091452 GRGPQNRHXNRJFL-SNVBAGLBSA-N 296.322 2.811 30 40 CFEB biogenic,in-vitro COc1ccc(N/N=C(\C=N\O)C(=O)c2ccccc2)cc1 100364237 PZAMJUMJUNTHSW-DEBUNUGRSA-N 297.314 2.806 30 40 CFEB O=C1C=CC(=O)C(c2cccc(Br)c2)=C1 507244 CQDRBACIFKCOSA-UHFFFAOYSA-N 263.090 2.541 30 40 CFEB N#Cc1ccsc1NC(=O)CCN1CCCCCC1 24164310 ODDOEPZZWPHMER-UHFFFAOYSA-N 277.393 2.824 30 40 CFEB CN(C)c1c(C#N)cnc2cc(Br)ccc12 53994635 HIPXFAPLUFCRRQ-UHFFFAOYSA-N 276.137 2.935 30 40 CFEB NC(=S)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 56688413 NFSYORCWJJDWTH-LUJRCDHRSA-N 297.383 2.748 30 40 CFEB Cc1oc(NC(=O)[C@@H](C)N2CCCCC2)c(C#N)c1C 25404135 QMELLBYOWOQKPQ-LLVKDONJSA-N 275.352 2.581 30 40 CFEB COC(=O)c1ccccc1C#Cc1ccccc1C(=O)OC 1597686 WOWOJPPNAHPPNE-UHFFFAOYSA-N 294.306 2.660 30 40 CFEB Cc1ccccc1OCCN1C(=O)/C(=N/O)c2ccccc21 102804201 MTZDSJHLRQDPDU-FBMGVBCBSA-N 296.326 2.599 30 40 CFEB C=C(C)CN(CC)S(=O)(=O)Cc1ccc(F)cc1 66607833 DJYACBIWPVXCOX-UHFFFAOYSA-N 271.357 2.554 30 40 CFEB CC(C)COc1ccc(C2(C(=O)NCC#N)CCC2)cc1 71890157 ZHTIQHWTBQUGEQ-UHFFFAOYSA-N 286.375 2.783 30 40 CFEB CN(CC#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89335291 WJVUVQMRBUKMQF-HZPDHXFCSA-N 264.328 2.925 30 40 CFEB CC(C)(C#N)N1CCN(c2ccccc2Cl)CC1 31666660 RAPCJOQEDWDSOZ-UHFFFAOYSA-N 263.772 2.764 30 40 CFEB O=C1Nc2cccc(O)c2N/C1=C/C(=O)c1ccccc1 77024286 MJFNDRGQHWPFJU-FMIVXFBMSA-N 280.283 2.523 30 40 CFEB CC(C)n1nc(Cc2cccc(F)c2)c(C#N)c1N 225831411 XBXJKWPFFKZENU-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB COc1ccc(N/C(N)=N/Cc2cccs2)cc1 225544998 HWRXYTIOIPJPDV-UHFFFAOYSA-N 261.350 2.684 30 40 CFEB C=CCOC(=O)c1cc(N)ccc1N1CCCCC1 226278778 HVOQOIHOCLHDIU-UHFFFAOYSA-N 260.337 2.602 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccccc1 225861308 CUCDERZFUOBJGC-UHFFFAOYSA-N 255.321 2.583 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1sccc1C 96184362 DTEXHBMEJOWHCF-QWHCGFSZSA-N 276.405 2.531 30 40 CFEB C[C@H](OC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1cccc(C#N)c1 245339207 REYPKPJHJVKJED-UVBJJODRSA-N 295.342 2.700 30 40 CFEB CCCCOCCOS(=O)(=O)c1ccc(C)cc1 1570434 LLLXGCKPGCZALY-UHFFFAOYSA-N 272.366 2.517 30 40 CFEB N#Cc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 6282403 VFOGSVYSFYZMPO-XNTDXEJSSA-N 289.294 2.656 30 40 CFEB Cc1cnc(N2CCC(C#N)(c3ccccc3)CC2)nc1 2086865378 RPYOWKRHLHWPGB-UHFFFAOYSA-N 278.359 2.847 30 40 CFEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCCC1 529034 MUHZQDLZPHIIJS-UHFFFAOYSA-N 284.275 2.722 30 40 CFEB N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nc1 40480118 DDUGFMANZMWUPQ-INIZCTEOSA-N 278.359 2.640 30 40 CFEB C#Cc1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1 32895269 OCMWTPXTYBJBLP-UHFFFAOYSA-N 288.306 2.762 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(C)cc(C)c2)C(=O)O1 102500618 RNMFNJCMYYZCPP-DWTRPJMMSA-N 284.311 2.532 30 40 CFEB Cc1cc(C)nc(N/N=C/c2ccc([N+](=O)[O-])s2)n1 4897738 QEZTUJDHXHSUQP-WUXMJOGZSA-N 277.309 2.509 30 40 CFEB COc1ccc2nc(SCC#N)c(C#N)cc2c1 4994028 CHHFYRWSIMXPJN-UHFFFAOYSA-N 255.302 2.731 30 40 CFEB C#CCN(Cc1ccn(C)c(=O)c1)[C@H]1CCc2ccccc21 52846227 RUSOQLRHQYTLFJ-SFHVURJKSA-N 292.382 2.508 30 40 CFEB Cc1cc(NCc2ccccc2C#N)c(C(N)=O)cc1F 72290811 YRNAITQUONSHCN-UHFFFAOYSA-N 283.306 2.717 30 40 CFEB CCCCCCCCC[N+](C)(C)CCOS(=O)(=O)O 100992472 HHPMZSNVTGPQHJ-UHFFFAOYSA-O 296.453 2.633 30 40 CFEB C=CCNC(=O)c1sc(COc2ccccc2)nc1C 36107953 AFZLVKHEOUBUFL-UHFFFAOYSA-N 288.372 2.946 30 40 CFEB N#Cc1ccccc1COC(=O)c1cccnc1Cl 3523760 ZZCXDRVRCZTMFO-UHFFFAOYSA-N 272.691 2.964 30 40 CFEB CCOc1cc(C)ccc1NC(=O)NC[C@@H](C)C#N 75109173 LTDHQMBWLBDZCU-NSHDSACASA-N 261.325 2.675 30 40 CFEB CC1(C)OB(c2c(Cl)noc2C2CC2)OC1(C)C 514251803 ZLLSLBGCJPYUFF-UHFFFAOYSA-N 269.537 2.505 30 40 CFEB CCOC(=O)c1cc(C#N)c2sc3ccccc3n2c1=O 138655057 QPWMJEKTZURUFF-UHFFFAOYSA-N 298.323 2.563 30 40 CFEB CCOC(=O)[C@H]1O[C@]1(C)c1ccccc1Br 85657686 IXZIMBBAFVJART-ZYHUDNBSSA-N 285.137 2.626 30 40 CFEB [BH3-][P@@+]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C)N1C 195753520 FXLZSCLZXPDBMQ-OWDMVUQNSA-N 285.136 2.532 30 40 CFEB N#CCC(=O)NCc1ccccc1CN1CCCCCCC1 97097123 FGQYNKSWLLCIDG-UHFFFAOYSA-N 299.418 2.983 30 40 CFEB N#C/C(=N/Nc1cccc(F)c1)C(=N)N1CCCCC1 19818357 WCCYRKIEIAWPPZ-RUHDWJSOSA-N 273.315 2.580 30 40 CFEB CC1(C)OB(CC(=O)Nc2ccccc2)OC1(C)C 204285781 SLQZWOWUBCVLNE-UHFFFAOYSA-N 261.130 2.717 30 40 CFEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H](C)O1 40526858 FSMGBTFVYHGASF-AOOOYVTPSA-N 293.754 2.853 30 40 CFEB O=C1NCCc2c1[nH]c1cc(C#Cc3ccccc3)ccc21 75116 ZHROINWKHBFTKL-UHFFFAOYSA-N 286.334 2.854 30 40 CFEB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1C#N 3256685 ANHAXVVSVDBDNG-CYBMUJFWSA-N 292.338 2.915 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 35426653 MPQLZICOXRAJTI-AWEZNQCLSA-N 294.358 2.803 30 40 CFEB Cn1nccc1C1CCN(Cc2ccc(C#N)cc2)CC1 58292638 FGUNACLCOYLSSO-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB COc1ccccc1CNC(=O)NCC#Cc1ccccc1 45611340 YELIJEQCZPUFMG-UHFFFAOYSA-N 294.354 2.546 30 40 CFEB CN(Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 14094695 KKAHBRWAAAHRPE-INIZCTEOSA-N 294.354 2.830 30 40 CFEB Cc1nscc1C(=O)OCc1ccc(CC#N)cc1 97084597 MAZUPCRKIZXUMM-UHFFFAOYSA-N 272.329 2.875 30 40 CFEB Cc1cccc(OC2CCN(c3ncccc3C#N)CC2)n1 97108335 VLRWWJNQPPMTIY-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB N#CCCN(CC1CCC1)c1ccc(C#N)cc1[N+](=O)[O-] 84340807 WTYYHAAYFMSUSW-UHFFFAOYSA-N 284.319 2.987 30 40 CFEB N#C[C@@H]1CCCC[C@H]1OC(=O)c1cccc(-c2nnco2)c1 95942868 RYWQRKFMQKFUID-UONOGXRCSA-N 297.314 2.976 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 95947395 GJTKMENOJFIPKP-YVEFUNNKSA-N 293.322 2.835 30 40 CFEB CC(=O)c1ccc(Oc2ccc(C#N)nn2)c(Cl)c1 120389219 YDLWGTJKELZRRQ-UHFFFAOYSA-N 273.679 2.997 30 40 CFEB CC(C)(C)OC(=O)N[C@H]1CC2=CC(=O)CC[C@H]2C1 217917004 KXRNOAJRJBOWEU-GXSJLCMTSA-N 251.326 2.579 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)C[C@H]1C=CCC1 79102190 GWIQCXZQGRFISR-JTQLQIEISA-N 259.371 2.818 30 40 CFEB Cc1cc(/C=N/OCC(=O)O)c(C)n1-c1ccccc1 226033020 ZROUSPNWHKFPRC-CXUHLZMHSA-N 272.304 2.529 30 40 CFEB CC(C)=C1Oc2c(ccc(O)c2CN2CCCC2)C1=O 41513456 LQTQEQLPCPDTDS-UHFFFAOYSA-N 273.332 2.857 30 40 CFEB biogenic C=C(Br)CN1CCC[C@H](Cc2nccn2C)C1 90003727 JPYVAVHHYUQNHS-GFCCVEGCSA-N 298.228 2.583 30 40 CFEB COc1cc(/C=N/O)ccc1OC(=O)c1ccccc1 5915982 KLKSPIVNRVVHIZ-MHWRWJLKSA-N 271.272 2.723 30 40 CFEB N=c1sc2nc3ccccc3nc2n1/N=C/c1ccco1 5605095 BVLHIQXTEDDEPC-GGKHHZKMSA-N 295.327 2.601 30 40 CFEB N#Cc1c(NC(=O)CCC(=O)O)ccc2ccccc12 1558569 QBAJQKUIUQGUSG-UHFFFAOYSA-N 268.272 2.515 30 40 CFEB in-vitro C[C@@](C#N)(NC(=O)COc1ccc(F)cc1Cl)C1CC1 21458143 QCVWWIBAWMSZMI-AWEZNQCLSA-N 296.729 2.666 30 40 CFEB CSc1cc(C(=O)[C@@H](C#N)c2ccc(F)cn2)ccn1 97049056 ZEEABFSHJUITSD-NSHDSACASA-N 287.319 2.828 30 40 CFEB CC1(C)C/C(=N/O)[C@H]([C@H](O)c2ccccc2)C(C)(C)N1 102682637 VGFIOZVWVYMGPY-BZDXGLJRSA-N 276.380 2.717 30 40 CFEB C#CCN1CCC(C(=O)N2CCC3(CCCC3)CC2)CC1 97002424 FQZOCAAUVKGVOD-UHFFFAOYSA-N 288.435 2.514 30 40 CFEB C#CCN1C(=O)[C@H](Nc2ccccc2)c2ccccc21 100095040 SHGGSJLRVGBCRV-MRXNPFEDSA-N 262.312 2.820 30 40 CFEB CC[C@@H](C)N(C(=O)c1ccc(C#N)cn1)[C@H](C)CC 97148334 UBHDSUSXVAGIDK-VXGBXAGGSA-N 259.353 2.992 30 40 CFEB N#Cc1cc(NCCc2ccc(CO)cc2)ccc1[N+](=O)[O-] 97145466 UBKJODLGUBYTNP-UHFFFAOYSA-N 297.314 2.613 30 40 CFEB N#CCN1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 69419040 UALKFPPCSGABGH-DLBZAZTESA-N 269.392 2.639 30 40 CFEB CCCNC(=O)[C@H](C)Sc1nc(C)cc(C)c1C#N 17100811 ZCUZQTKTCMVBET-NSHDSACASA-N 277.393 2.577 30 40 CFEB Cc1ccc(-n2c(C)nnc2S[C@H](C)C#N)cc1 4835919 QPDLDHFMRMYLMS-SNVBAGLBSA-N 258.350 2.888 30 40 CFEB C=CCn1nnnc1NCc1cccc(Cl)c1Cl 6856477 CJHATRKUVRRMJF-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB C=CCOc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1 83859163 OLJJLFVSFJKIIM-OAHLLOKOSA-N 275.348 2.502 30 40 CFEB COc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1 98054784 NGROJFMBVDUZKR-XFXZXTDPSA-N 268.316 2.641 30 40 CFEB C=C(C)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O 5608056 SFLSQNCCILSGMG-UHFFFAOYSA-N 292.360 2.519 30 40 CFEB CC1(C)OB(c2ccnc(-c3ccco3)c2)OC1(C)C 198089777 LZZMFVDEKKGJAW-UHFFFAOYSA-N 271.125 2.641 30 40 CFEB N#C[C@@]1([C@@H](O)Cc2ccccc2)CCc2ccccc21 91884666 NTVXNNDJWLEYFI-ROUUACIJSA-N 263.340 2.998 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 253618418 AXBKZHIACBIGID-PGTLFJHTSA-N 273.405 2.673 30 40 CFEB CC1CCN(c2nn(-c3ccccc3F)nc2C#N)CC1 256046824 IHSKWGQQZIDPNR-UHFFFAOYSA-N 285.326 2.514 30 40 CFEB C/N=C(\NC)NCc1nc(-c2ccc(Cl)cc2)cs1 75581905 CTOKJBAOBKRKGU-UHFFFAOYSA-N 294.811 2.758 30 40 CFEB O=C1CSC(=S)N1/N=C\c1ccc(Cl)s1 16922685 QUKKUCBDZCSTAS-KMKOMSMNSA-N 276.795 2.596 30 40 CFEB C#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(C)c21 100910076 OWKNVOQQKYGGQL-MSUUIHNZSA-N 296.351 2.979 30 40 CFEB N#Cc1cccc(-c2[nH]c(C=O)nc2Br)c1 1857794648 FPWOLFAFVNBJIL-UHFFFAOYSA-N 276.093 2.523 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cccc(O)c1)O2 429864 WMAZZEHROJUQLM-NVNXTCNLSA-N 296.278 2.795 30 40 CFEB biogenic N#Cc1ccc(NCCCOC2CCOCC2)c(F)c1 76063515 KVYKYJNJQIFWOC-UHFFFAOYSA-N 278.327 2.695 30 40 CFEB C/C(=N\O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 101669729 FHCPXEHVSPVQGH-JUACWREWSA-N 286.331 2.564 30 40 CFEB Cc1nnc(S)n1/N=C/c1c(C)n(C)c2ccccc12 408856595 CQEAVLRGYQNTHW-OVCLIPMQSA-N 285.376 2.558 30 40 CFEB C[C@](C#N)(NC(=O)CSc1ccc(F)cc1F)C1CC1 7921378 MPVRSDQRVABFTM-CQSZACIVSA-N 296.342 2.865 30 40 CFEB CN(C)CCC1CCN(C(=O)c2cccc(CC#N)c2)CC1 71904018 SUPFMMFUIVXJFD-UHFFFAOYSA-N 299.418 2.557 30 40 CFEB CC(C)(C)[C@H](CCO)NCc1ccc(F)c(C#N)c1 97376805 UTXJICCWROSIBF-AWEZNQCLSA-N 264.344 2.584 30 40 CFEB CCc1ccc(C(=O)N(CC#N)C(C)C)cc1[N+](=O)[O-] 89286481 CULWLEBXHTWCFC-UHFFFAOYSA-N 275.308 2.531 30 40 CFEB CC[C@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)C#N)C1 75136973 QBRKPSSOSYHGRX-ZDUSSCGKSA-N 279.428 2.553 30 40 CFEB N#CCC[C@@H](C#N)CN1CCO[C@H](c2ccsc2)C1 89885440 CGRHZTGJGGAQKS-JSGCOSHPSA-N 275.377 2.565 30 40 CFEB C[C@@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)C1CC1 55095257 DGDQAXYQNZLNJU-QZTJIDSGSA-N 284.403 2.773 30 40 CFEB biogenic CC(=O)ON(C(N)=O)[C@H](C)c1cc2ccccc2s1 72434050 SOQHOAQNHIYGEE-MRVPVSSYSA-N 278.333 2.821 30 40 CFEB N#Cc1ccc(Cn2ccc(-c3ccncc3)n2)cc1 216695065 DPSCNIINLLFIAT-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB CC1(C)OB(c2cnc(-c3cccnc3)s2)OC1(C)C 198095510 CXYJMDDAYUSDHG-UHFFFAOYSA-N 288.181 2.504 30 40 CFEB C=C(C)CNC(=O)N[C@@H](COC)c1ccc(F)c(F)c1 156632664 ILLBRTFOAPGNKV-ZDUSSCGKSA-N 284.306 2.528 30 40 CFEB C=C(Br)CSC(=S)N1CCSCC1 159518 NSECMUAXWBOHAJ-UHFFFAOYSA-N 298.296 2.962 30 40 CFEB CCOC(=O)c1c(-c2ccccc2)oc(N)c1C#N 5460572 JBDUGKSJVMDFIA-UHFFFAOYSA-N 256.261 2.577 30 40 CFEB CC(C)CC[C@H](C)NC(=O)COc1ccccc1C#N 6859544 LZZGOFZXGOBRGU-ZDUSSCGKSA-N 274.364 2.878 30 40 CFEB C=CCn1c(S[C@H]2CCOC2=O)nc2ccccc21 40456797 BYSMNXOAZJSYCU-LBPRGKRZSA-N 274.345 2.630 30 40 CFEB N#Cc1cccc(OCC(=O)c2ccc3c(c2)OCCO3)c1 6401087 ODRHNGLZCDBVCG-UHFFFAOYSA-N 295.294 2.591 30 40 CFEB O=C(/C(=N\Nc1ccccc1)C(=O)C(F)(F)F)C1CC1 100921384 MCDPWZAHODUFEY-VCHYOVAHSA-N 284.237 2.565 30 40 CFEB Cn1cc(C(=O)c2cccc(Cl)c2)cc1/C=N\O 13143266 VPULOGSWHHBAOC-CHHVJCJISA-N 262.696 2.718 30 40 CFEB CC(C)(C)NC(=O)CSCc1ccccc1C#N 8852711 DOOYMTWXEDOLON-UHFFFAOYSA-N 262.378 2.706 30 40 CFEB C[C@@H](CO)CNc1cc(C#N)ccc1C(F)(F)F 97096814 WNZKWUOVCCBIJG-MRVPVSSYSA-N 258.243 2.617 30 40 CFEB CCn1nc(C)c(-c2cc(C3CC3)c(C#N)c(N)n2)c1C 71575324 YKKJPJHMCUIZRK-UHFFFAOYSA-N 281.363 2.913 30 40 CFEB C#CC[C@H](OC(=O)c1cc(C(C)C)[nH]n1)c1ccccn1 73294520 HSALTLMMWZEYNF-HNNXBMFYSA-N 283.331 2.850 30 40 CFEB COC(=O)[C@@H]1OC1(c1ccc(F)cc1)c1ccc(F)cc1 39045945 WUHQBDBGCGCQQM-AWEZNQCLSA-N 290.265 2.780 30 40 CFEB CCOCCOc1c(N)cc(C#N)n1Cc1ccccc1C 225876560 SULSAWMASNZEAA-UHFFFAOYSA-N 299.374 2.714 30 40 CFEB Cc1cc(Br)ccc1C/N=C(\N)N(C)C1CC1 195559361 SUKAQUBVEIOBAS-UHFFFAOYSA-N 296.212 2.666 30 40 CFEB N#Cc1ccc(C(F)(F)F)c(NC[C@@H](O)C2CC2)c1 97096835 LMOABTQHLHPKFL-GFCCVEGCSA-N 270.254 2.760 30 40 CFEB COc1ccc(N[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)cn1 230311011 FRRVDPQBMNVUDD-XQLPTFJDSA-N 287.363 2.742 30 40 CFEB N#Cc1cccc(COC(=O)Cc2ccc(F)cc2)c1 5633229 CRGOQZMBFOHCOJ-UHFFFAOYSA-N 269.275 2.983 30 40 CFEB C/N=C(/S)N/C=N/OCc1ccc(Cl)cc1Cl 13545433 QSIWCXBQJSETIC-UHFFFAOYSA-N 292.191 2.959 30 40 CFEB COc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1OC 200342746 BYEHUTVJADNJGT-UHFFFAOYSA-N 298.575 2.656 30 40 CFEB CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C#N 23993545 HNCXZHPRLXJDHD-ZDUSSCGKSA-N 278.377 2.511 30 40 CFEB CCNC(=O)[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 69565784 AXCXSDVBPYWTQK-NSHDSACASA-N 291.782 2.564 30 40 CFEB COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)c1 103504210 RSEBXSRYYCWGAZ-HNNXBMFYSA-N 294.310 2.656 30 40 CFEB C=CCNC(=S)NNc1ccc2ccccc2c1 3282229 ABXBZYTYZIRLBT-UHFFFAOYSA-N 257.362 2.817 30 40 CFEB COc1ccccc1C[C@@H](C)NCc1cc(C#N)n(C)c1C 58005760 CBKIMARLCUPABO-CYBMUJFWSA-N 297.402 2.935 30 40 CFEB Cc1csc([C@H](C#N)C(=O)c2cnc3ccccn23)n1 84268018 UHVDYZDQOOPJOV-SNVBAGLBSA-N 282.328 2.589 30 40 CFEB CCOc1ccccc1NC(=O)COc1ccccc1C#N 3445450 MYDWLBOYYCQJOU-UHFFFAOYSA-N 296.326 2.974 30 40 CFEB Cc1noc(C)c1CNc1snc(Cl)c1C#N 63255270 DPXSLKRXTUTUIL-UHFFFAOYSA-N 268.729 2.885 30 40 CFEB N#Cc1c(N)nc(S)c(C#N)c1[C@@H]1CC=CCC1 18192736 PDAVPMJBDFCLMA-MRVPVSSYSA-N 256.334 2.520 30 40 CFEB CC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccnc1)C2=O 6662682 AWWXAJLUEUWGDD-CHHVJCJISA-N 295.294 2.932 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CC[C@H]2CCCC[C@H]2C1 7719471 GCBBKDLYBBUVEC-ZBFHGGJFSA-N 298.386 2.976 30 40 CFEB C[C@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)C1CC1 55095259 DGDQAXYQNZLNJU-MSOLQXFVSA-N 284.403 2.773 30 40 CFEB biogenic CCNC(=S)N/N=C/c1ccc(-c2ccccc2C#N)o1 409370955 AEWIRCYWCYZOEO-VCHYOVAHSA-N 298.371 2.636 30 40 CFEB CC(C)N(CC#CCNC(=O)c1cccc(F)c1)C(C)C 75164452 BGHWVMRMOPFBHH-UHFFFAOYSA-N 290.382 2.678 30 40 CFEB CCOc1ccc(NC(=O)[C@](C)(CC)OC)c(C#N)c1 225791368 MVDBEDMCTSKPMB-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB CN(Cc1cscn1)c1ccc([N+](=O)[O-])cc1C#N 49056344 KLCLFQXSNVPASY-UHFFFAOYSA-N 274.305 2.559 30 40 CFEB CCOC(=O)C(C)=NNc1ccc(OC(F)(F)F)cc1 725239939 JSJMGCAGRJSETE-UHFFFAOYSA-N 290.241 2.936 30 40 CFEB CC(C)=NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 5377814 AKGSYVPUFKSCII-UHFFFAOYSA-N 278.311 2.930 30 40 CFEB CC[C@@H](OC)C(=O)N(c1ccc(C#N)cc1C)C1CC1 76019043 PCTMJEWCWPUAFA-OAHLLOKOSA-N 272.348 2.787 30 40 CFEB COc1cc(/C=N/Nc2nc(C)cs2)cc(OC)c1O 3958993 DPOWMDDAKYTSQB-MKMNVTDBSA-N 293.348 2.620 30 40 CFEB COCCn1c(SCC#N)nc2cc(Cl)ccc21 32881645 OSMFKBXEELLVSD-UHFFFAOYSA-N 281.768 2.952 30 40 CFEB CNC(=S)N/N=C/c1ccc(N(C)c2ccccc2)cc1 1005414 NBXGAZZJGGGDOE-LDADJPATSA-N 298.415 2.882 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccccn2)c(OC)c1 28871303 SPYNLKSVRJOXJT-RMKNXTFCSA-N 269.300 2.995 30 40 CFEB N#Cc1ccc(Sc2nc(CC3CCCC3)n[nH]2)nc1 25045379 QCDRZFKKBCCUEG-UHFFFAOYSA-N 285.376 2.955 30 40 CFEB COc1cc(/C=N/OCc2ccccc2)ccc1O 11100762 DLDSLVSRANLQOD-MHWRWJLKSA-N 257.289 2.952 30 40 CFEB N#CCOc1cccc(NC(=O)NCCc2ccccc2)c1 48514625 OZCQVFACYFKXFX-UHFFFAOYSA-N 295.342 2.953 30 40 CFEB C=CCNC(=O)Cc1csc(-c2ccc(OC)cc2)n1 8734441 DDIGTZANNWLCQN-UHFFFAOYSA-N 288.372 2.663 30 40 CFEB C=CCNC(=O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 4504811 PFHPKWRXKXLQMQ-GFCCVEGCSA-N 299.157 2.789 30 40 CFEB C[C@H](CC#N)NC(=O)c1c(O)cc(Cl)cc1Cl 80022380 IRAMFPJJQJPNRT-ZCFIWIBFSA-N 273.119 2.731 30 40 CFEB C#CCNC(=O)CSc1nc(-c2ccccc2)cs1 7288554 FCBJWUZJBXESMH-UHFFFAOYSA-N 288.397 2.652 30 40 CFEB CN(C)[C@H](CNc1ncc(C#N)cc1Cl)c1ccco1 68658604 FLMYWRBFFMXNHA-GFCCVEGCSA-N 290.754 2.914 30 40 CFEB N#CCCN1CC[C@H](OCCCc2ccccc2)C1 84528615 RKUKBJGDRBYWLS-INIZCTEOSA-N 258.365 2.624 30 40 CFEB CCN(CC)CC#C[C@@H](C)OC(=O)c1ccncc1Cl 95429430 YEXHDFCTGWPXDW-GFCCVEGCSA-N 294.782 2.626 30 40 CFEB CCN(C[C@H](C)C#N)c1cnc2cc(F)c(F)cc2n1 95965186 FIQYZHDCGJQGKS-SECBINFHSA-N 276.290 2.894 30 40 CFEB C[C@@H](Oc1ccc(/C=N\c2cccc(O)c2)cc1)C(=O)O 408854299 BWLONDFISQJABH-VBYYMIJXSA-N 285.299 2.995 30 40 CFEB COc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1F 95096086 UMIYNXZQMNIQFD-GZMMTYOYSA-N 280.217 2.853 30 40 CFEB C=C(C)CNC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 275052119 WFHOYYFNAGDASQ-HUUCEWRRSA-N 292.354 2.921 30 40 CFEB CCN(CCC#N)S(=O)(=O)c1cccc(Cl)c1C 65622101 QZAHKBWIIPDALE-UHFFFAOYSA-N 286.784 2.573 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 41636851 GGFYYLGSWNZCGJ-UHFFFAOYSA-N 265.268 2.649 30 40 CFEB C#C[C@@]1(O)C[C@H]2c3ccc(OC)cc3CC[C@]2(C)C1 5410491 RGMQGPYAYKKFCZ-GVDBMIGSSA-N 256.345 2.889 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 253390288 GQDFYCPPHMEHJL-UKTARXLSSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro OC1=C/C(=N\c2nnc[nH]2)C[C@@H](c2ccccc2)C1 104168803 HLGXUNZGVLTIRW-NVGQTZGUSA-N 254.293 2.897 30 40 CFEB C#CCOc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1 20729206 RIYFGTUZFROLSF-AWEZNQCLSA-N 299.355 2.846 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCc2ccccc21 32830758 JYDCYLHRJDQGQC-KDOFPFPSSA-N 299.418 2.882 30 40 CFEB Cc1cc(/N=C/c2c(C)nn(-c3ccccc3)c2O)no1 6826198 IXUNGWYMJJBWFV-CXUHLZMHSA-N 282.303 2.933 30 40 CFEB Oc1cc(O)cc(/C=N/C[C@@H]2OCCc3ccccc32)c1 494657 WQYFSISKCGGDKA-DKFVHQPUSA-N 283.327 2.831 30 40 CFEB CC1(C)CC(=O)C/C(=N/c2ccc3[nH]c(=O)[nH]c3c2)C1 100098527 PZEFIOGEDGFXRK-YBEGLDIGSA-N 271.320 2.708 30 40 CFEB CC1(C)CC(NC(=O)c2ccc(C#N)cc2)CC(C)(C)N1 3287630 LMGGKCYWXSSMJS-UHFFFAOYSA-N 285.391 2.597 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)C1=O 101919069 GLDQAVMCVBXSND-OSRXTWIHSA-N 289.379 2.685 30 40 CFEB C[C@@H](C#N)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2 58182080 IRCRTINJXNUQCH-AWEZNQCLSA-N 294.402 2.952 30 40 CFEB N#Cc1ccsc1NC(=O)c1cn2ccccc2n1 44866368 SVSCOEANGFEWCX-UHFFFAOYSA-N 268.301 2.520 30 40 CFEB COc1ccc(-c2nnc(SCCC#N)o2)c(OC)c1 12869993 JXTRSPUVRDBQFR-UHFFFAOYSA-N 291.332 2.760 30 40 CFEB COC(=O)CNc1cccc(C#Cc2cccs2)c1 65515537 PVSZZYQYVRYCLJ-UHFFFAOYSA-N 271.341 2.733 30 40 CFEB C[C@@H]1SCCN(C(=O)C2(C#N)CCCCC2)[C@@H]1C 71911079 RNSPTEKPTBJZLS-NEPJUHHUSA-N 266.410 2.813 30 40 CFEB CCC[C@H](C#N)NC(=O)c1cc2ccc(OCC)cc2[nH]1 69438184 UQGSBZMGXPWDHQ-GFCCVEGCSA-N 285.347 2.989 30 40 CFEB CCC[C@H](C#N)NC(=O)c1ccc(OC)c(OC(F)F)c1 69438205 HBTFTROQCKONKX-SNVBAGLBSA-N 298.289 2.719 30 40 CFEB CSC[C@H](C)C(=O)N[C@H](C#N)C1CCCCC1 96451390 NWKJJJBYDWSBPP-CMPLNLGQSA-N 254.399 2.574 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)Nc1ccccn1 96406304 JSOVHFNNTKJKMX-UHFFFAOYSA-N 270.292 2.622 30 40 CFEB N#Cc1cc(N2CCCC2)ccc1Br 95081090 RLGYQRLPRDAXAP-UHFFFAOYSA-N 251.127 2.921 30 40 CFEB CCOc1cc(/C=N/c2c(C)nn(C)c2C)ccc1O 408975863 OMFNRSXDMOEAQC-CXUHLZMHSA-N 273.336 2.892 30 40 CFEB CCc1c(N)cc(C#N)n1Cc1ccc(OC)cc1 225856707 GOMYSQKEVQFYHY-UHFFFAOYSA-N 255.321 2.561 30 40 CFEB C=C(C)COCCNC(=O)Nc1ccc(OC)c(C)c1 96474986 LYZRFCRGSGOKCR-UHFFFAOYSA-N 278.352 2.718 30 40 CFEB Fc1cccc(F)c1[C@@H](OC[C@H]1CO1)C(F)(F)F 95096092 KYGKBQSQFJSEJK-LHLIQPBNSA-N 268.181 2.984 30 40 CFEB C=CCNC(=O)Nc1ccc(C(=O)OCCCC)cc1 48017763 SWYIOAKJGNSKQW-UHFFFAOYSA-N 276.336 2.951 30 40 CFEB N#CCCNC(=O)CN(CCc1ccccc1)C1CCCC1 58341756 XLJHPWLTAUDHPI-UHFFFAOYSA-N 299.418 2.504 30 40 CFEB CS/C(=N\C#N)SCSc1nnc(C)s1 4290368 WJTHAAHHRYXVEQ-RMKNXTFCSA-N 276.437 2.829 30 40 CFEB CNC(=N)N/C(N)=N\c1cc2ccccc2c2ccccc12 5832159 HPIFGVIJVOGIGI-UHFFFAOYSA-N 291.358 2.683 30 40 CFEB in-vitro CCOC(=O)[C@@H](C)Sc1nc(C)cc(C)c1C#N 49855 MVSKBTBROHFVJD-SNVBAGLBSA-N 264.350 2.614 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)s1 20255787 QHVBJILAYJRUBP-UHFFFAOYSA-N 278.358 2.729 30 40 CFEB C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1C/C(=N/O)[C@@H]2O 102884507 FYVXSFWTEDENGI-TYTGARHZSA-N 299.370 2.969 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)CN(CC#N)Cc1ccccc1 69567340 ROPFMWVWLHVYMF-HOTGVXAUSA-N 299.418 2.802 30 40 CFEB O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N/O)c([N+](=O)[O-])c1 100467926 JRYYVHYZZLOJHW-ZWVWWYOOSA-N 279.252 2.991 30 40 CFEB CCOC(=O)c1c(C)n(C)c2ccc(OCC#N)cc12 2340255 PNADVKYRZVIBSX-UHFFFAOYSA-N 272.304 2.566 30 40 CFEB biogenic CC[C@@]1(C)C[C@]2(CCCN(CC#CCN(C)C)C2)CCO1 4023338 YSTCJAQWGIWABF-ROUUACIJSA-N 292.467 2.613 30 40 CFEB biogenic CCn1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cn1 80457238 DRIARVFYYZYPGE-NSHDSACASA-N 288.376 2.973 30 40 CFEB N#Cc1cnccc1/C=C/c1cc(O)ccc1[N+](=O)[O-] 390834609 IDQNNDRLNPRODQ-OWOJBTEDSA-N 267.244 2.737 30 40 CFEB CN(CCc1nccs1)c1ccc([N+](=O)[O-])cc1C#N 96483918 DVYFXSVDFWPHMT-UHFFFAOYSA-N 288.332 2.602 30 40 CFEB C=CCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCOC1 19016100 ZSRNGKFWHUXXDB-GFCCVEGCSA-N 295.766 2.814 30 40 CFEB C#C[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1 952959477 ZXQGLKHRZSVGKH-GFCCVEGCSA-N 265.259 2.666 30 40 CFEB N#Cc1cccc(NC(=O)N(CC(F)F)C2CC2)c1 69842803 GSQAIJXYKQPWBO-UHFFFAOYSA-N 265.263 2.820 30 40 CFEB CC(C)(C#N)C(=O)N1CCN(c2ccccc2Cl)CC1 42128260 XWWNCGQOPVAPSQ-UHFFFAOYSA-N 291.782 2.538 30 40 CFEB Cc1nc(C/C(N)=N/OCc2ccccc2F)cs1 54391053 SGSQKWUMVRMITA-UHFFFAOYSA-N 279.340 2.622 30 40 CFEB C=CCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2439920 LRWITLFECFOWRW-UHFFFAOYSA-N 291.738 2.625 30 40 CFEB CN(CCc1ccncc1)Cc1cc(C#N)cs1 97113786 LWDRXCMSBYYPAY-UHFFFAOYSA-N 257.362 2.689 30 40 CFEB C=C(C)CN(CC)C(=O)NC[C@@]1(C)CCCS1 95965503 GMWOEPNQTFFBBI-CYBMUJFWSA-N 256.415 2.880 30 40 CFEB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)N2CCC1CC2 32513843 SUVDZDMJZHWNCO-LFYBBSHMSA-N 291.734 2.704 30 40 CFEB C[C@H](NC(=O)CSC(F)(F)F)c1ccc(C#N)cc1 33180167 HVLLSMCRRXDPHJ-QMMMGPOBSA-N 288.294 2.988 30 40 CFEB N#CCc1ccc(NC(=S)NC2CCCC2)cc1 133801173 XDYGYTALFWFAOL-UHFFFAOYSA-N 259.378 2.982 30 40 CFEB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H](C)CC#N)s1 78420326 RMPINLZWQRILEZ-MVWJERBFSA-N 262.378 2.921 30 40 CFEB COc1ccc(C#N)cc1CN(C)[C@H](C)CSC 95431395 VMJYPLDXUWOBMZ-LLVKDONJSA-N 264.394 2.750 30 40 CFEB Cc1nnc(S)n1/N=C/c1cccc2ccccc12 5410273 OFVIPTAXJNKJCW-OQLLNIDSSA-N 268.345 2.911 30 40 CFEB COc1ccc(/C=N/c2cccc(C(N)=O)c2)cc1OC 297825 CZYMRTWVHXNNBW-VCHYOVAHSA-N 284.315 2.553 30 40 CFEB O=C1C=C(Cl)C(=O)C(c2ccccc2)=C1Cl 1579943 LFUYKCYPRWRHFI-UHFFFAOYSA-N 253.084 2.911 30 40 CFEB CN1CCC/C1=N\C(=O)c1ccccc1Br 102505122 KLTKAMKCINSDEH-SDNWHVSQSA-N 281.153 2.713 30 40 CFEB CCc1nc(C)c2c(C)c(C(=O)OCC#N)sc2n1 26438149 VTTOKNXTXPGAFI-UHFFFAOYSA-N 275.333 2.551 30 40 CFEB N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c1 87474976 OEGXPUCTXYRSIY-KDOFPFPSSA-N 291.354 2.520 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/CCc2ccncc2)c1 2489922 YUZHOUBFCZBUTM-LFIBNONCSA-N 255.277 2.651 30 40 CFEB O=C(O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 2561821 ACPJSLAUPXNRPL-UHFFFAOYSA-N 293.278 2.760 30 40 CFEB O=C(NCC#Cc1ccccc1)[C@H]1Cc2ccccc2S1 12853356 DJPWTHXEDGNXES-QGZVFWFLSA-N 293.391 2.871 30 40 CFEB N#Cc1cccnc1NCCc1ncc(-c2ccccc2)[nH]1 64337382 RCAQKBLYPHHVLX-UHFFFAOYSA-N 289.342 2.998 30 40 CFEB N#CC1(NC(=O)CCSc2ccccc2F)CCC1 65595625 ZOPDCNQUJKJULO-UHFFFAOYSA-N 278.352 2.870 30 40 CFEB CCCCc1nc(NCCN)c(C#N)c2c1CCCC2 6764560 MMJVNUKSLOXKCX-UHFFFAOYSA-N 272.396 2.545 30 40 CFEB CC/C=C(\C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 97123918 KFHWISLAIDFLMS-SYZQJQIISA-N 297.402 2.559 30 40 CFEB C#CCCOC(=O)c1ccccc1NCc1cccnc1 95987670 VFHHVYKWDZDZHP-UHFFFAOYSA-N 280.327 2.874 30 40 CFEB C=C[C@H](C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95979498 KNMQFHYQMJKNAA-CPCISQLKSA-N 274.147 2.718 30 40 CFEB CSC[C@@H](CCO)Nc1ccc(C#N)c(Cl)c1 77236707 WPTBDXDSKTVDOS-LLVKDONJSA-N 270.785 2.738 30 40 CFEB CC[C@@H]1CN(CCCC#N)[C@H](CC)CN1CCCC#N 77318712 SAJUVTKYZJWTSA-HZPDHXFCSA-N 276.428 2.769 30 40 CFEB COC(=O)OCC(F)(F)C(F)(F)C(F)(F)F 138696045 RXRYHOSPFTYBRA-UHFFFAOYSA-N 258.089 2.602 30 40 CFEB CCN(CCC#N)C(=O)CNc1ccc(Cl)c(F)c1 88524371 YEWBRTDBTRHLJW-UHFFFAOYSA-N 283.734 2.653 30 40 CFEB COc1ccc(OC)c(C#C[C@@](C)(O)c2ccccc2)c1 95632969 XKSZIYVPDSVLFP-GOSISDBHSA-N 282.339 2.963 30 40 CFEB CCN1CCc2c(C#N)c(Cl)nc(N(CC)CC)c2C1 13765034 VUJIRLWRMXHCKB-UHFFFAOYSA-N 292.814 2.831 30 40 CFEB CCCCCC/N=C/c1c(CO)cnc(C)c1O 17325046 OGIVABLAEYJRAV-OQLLNIDSSA-N 250.342 2.587 30 40 CFEB O=C(/C=C/[n+]1ccc(N2CCCC2)cc1)c1ccccc1 5278593 QDNRCHGHISHYFH-XNTDXEJSSA-N 279.363 2.928 30 40 CFEB CC(C)(C)OC(=O)C[C@@H]1C[C@H](CC#N)OC(C)(C)O1 2506803 DPNRMEJBKMQHMC-QWRGUYRKSA-N 269.341 2.542 30 40 CFEB in-vitro COc1ccc(C(=O)Nc2sccc2C#N)cc1OC 4276269 GVGCICSZNNOBAH-UHFFFAOYSA-N 288.328 2.889 30 40 CFEB O=C(CNc1cccc(C#Cc2cccs2)c1)NC1CC1 29934179 MNQOSINXSMRVQD-UHFFFAOYSA-N 296.395 2.838 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)Nc1ccccc1 32934656 GUJLZWQGZQSMBD-UHFFFAOYSA-N 298.321 2.931 30 40 CFEB C=CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O 6905048 ISMKRSRDJYXPDG-LUAWRHEFSA-N 260.318 2.821 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccs1 6926678 WDNWRRYSBLFAJP-AXFHLTTASA-N 278.377 2.738 30 40 CFEB C[S@](=O)c1ccc(NC(=O)c2ccccc2)cc1C#N 3104737 ZECGVPXFDNNTOT-HXUWFJFHSA-N 284.340 2.548 30 40 CFEB O=[N+]([O-])c1ccccc1N[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100964877 STELCCUPGVMPOD-IWLFAXBRSA-N 261.281 2.635 30 40 CFEB CS(=O)(=O)c1cccc(OCc2ccccc2C#N)c1 36325628 ULWOPAQWOPOWHN-UHFFFAOYSA-N 287.340 2.541 30 40 CFEB N#Cc1ccc(NCc2ccccc2-n2ccnc2)nc1 91506168 FAMWFALNSFTRQZ-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 95458799 HVHBCQSNPNIINK-UHFFFAOYSA-N 261.281 2.777 30 40 CFEB CCNC(=S)N/N=C/c1cc(C(C)C)c(OC)cc1C 33786435 PNDOGLOVUDEMNX-RQZCQDPDSA-N 293.436 2.945 30 40 CFEB C=CCNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192924 QZOXYRVYBASXHD-CQSZACIVSA-N 278.739 2.525 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC 71924367 KJHQHADSEPESJJ-NSHDSACASA-N 275.352 2.510 30 40 CFEB CC[C@@H](C)/C(C)=N/Nc1nc2ccccc2c(=O)n1C 19335246 LHAOUGBGRVDYPF-SIPGVVJPSA-N 272.352 2.767 30 40 CFEB N#Cc1cnc(OC2CCSCC2)c(Cl)c1 585651255 BUEOYGGTYWAAIX-UHFFFAOYSA-N 254.742 2.881 30 40 CFEB CCCCCCCC(=O)Nc1c(C)ccn(C)c1=O 101519779 BAQJVCWYGNJAEL-UHFFFAOYSA-N 264.369 2.993 30 40 CFEB CC(=O)/C(=C\c1cccc(Cl)c1)C(=O)CCN(C)C 8655492 DTVNEEZICKNLLI-GXDHUFHOSA-N 279.767 2.833 30 40 CFEB C[C@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@@H]1C=O 8655637 VCAXJIXICNMVTC-NWANDNLSSA-N 273.332 2.693 30 40 CFEB C=CCNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2498146 XNZAQYOKLYRATD-SNVBAGLBSA-N 262.353 2.741 30 40 CFEB CC(C)c1ccc(-c2csc(N=C(N)N)n2)cc1 12762559 GHMIWELKXGHHHS-UHFFFAOYSA-N 260.366 2.838 30 40 CFEB O=C1CS/C(=N\c2ccccn2)N1c1ccccc1 13282928 AXIZMZBINJYAEL-PEZBUJJGSA-N 269.329 2.849 30 40 CFEB C[C@H](Nc1ccccc1)C(=O)Nc1cccc(C#N)c1 5118962 YLKIAFDXXYYEHV-LBPRGKRZSA-N 265.316 2.997 30 40 CFEB C(=N/Nc1nncc(-c2ccccc2)n1)\c1ccccc1 4477896 UUXPMXLEHYELSY-GZTJUZNOSA-N 275.315 2.985 30 40 CFEB C/N=c1\scc(C)n1/N=C(\C)c1cccc(F)c1 5787508 DCBLSALOIPSWKD-OFSPILNLSA-N 263.341 2.800 30 40 CFEB Cc1ccc(/C=N/n2c(S)nnc2C(F)F)s1 8551016 FFJXKYXBYBCQDG-UUILKARUSA-N 274.321 2.757 30 40 CFEB C#CCOc1cccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c1 71888129 KTNZRNWPNLQVHS-CQSZACIVSA-N 297.358 2.712 30 40 CFEB CC(C)(C)OC(=O)NCCC/C(=N\O)c1ccccn1 22115881 KRLFPXNJRLONFS-SFQUDFHCSA-N 279.340 2.565 30 40 CFEB C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)c2cccnc2O1 189063511 MLGJOJMTABNXKQ-SNVBAGLBSA-N 297.289 2.520 30 40 CFEB C=CCOc1c(Br)cc(OC)cc1C#N 225288494 GDHNYDMBUCZTQZ-UHFFFAOYSA-N 268.110 2.894 30 40 CFEB COC(=O)[C@@]1(C)O[C@]1(C)c1ccccc1Br 85657893 YDTQTVDNNUAZHY-VXGBXAGGSA-N 285.137 2.626 30 40 CFEB C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccn1 48309623 CLFMHUPBNVJNJR-LLVKDONJSA-N 266.304 2.836 30 40 CFEB CCc1ccc([C@H]2CN(CCCC#N)CCO2)cc1 190293649 JXFQZSYZVCPHRA-MRXNPFEDSA-N 258.365 2.926 30 40 CFEB CC(=O)/C(=C/c1ccccc1Cl)C(=O)CCN(C)C 1589326 ZAGPJIGQCPZZBH-RAXLEYEMSA-N 279.767 2.833 30 40 CFEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1N1CCOCC1 20387969 GLWDCIDVRURXCX-UHFFFAOYSA-N 297.280 2.686 30 40 CFEB C/N=C(/N)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 69843445 CSBVPYRUNKECRT-ZDUSSCGKSA-N 298.415 2.895 30 40 CFEB N#Cc1ncn(Cc2coc(-c3ccc(Cl)cc3)n2)n1 21915117 FBODGBMUAVJHRX-UHFFFAOYSA-N 285.694 2.506 30 40 CFEB Cc1ncc(C/N=C\c2ccc(Cl)cc2)c(N)n1 100136772 JNVZAWDDMSGDQY-SOFYXZRVSA-N 260.728 2.640 30 40 CFEB in-vitro O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1n1nnc2cc(Cl)ccc21 100988733 GJTZQDROJDHRIM-SLDCZVGCSA-N 276.727 2.886 30 40 CFEB Cc1ccc(N2N=C(C#N)NN2c2ccc(C)cc2)cc1 6070919 OXBMYOAJMUANKH-UHFFFAOYSA-N 277.331 2.887 30 40 CFEB CN(CC(=O)NC(C)(C)C)c1ccc(C#N)c(Cl)c1 65576127 KUODAOYSAXYCKP-UHFFFAOYSA-N 279.771 2.563 30 40 CFEB O=C1/C(=C/c2ccc(O)cc2)COc2cc(O)ccc21 14454948 CWFKSHWAQPOKQP-YRNVUSSQSA-N 268.268 2.757 30 40 CFEB biogenic,in-vitro O=C(O)c1cccc2c(/C=N/Nc3ccccn3)c[nH]c12 4819613 CZLWMMVCNBVVOJ-GIJQJNRQSA-N 280.287 2.707 30 40 CFEB CC(C)N1CCC(=NNc2ccc(C(=O)O)cc2)CC1 4933313 NZQFCRCZIBQFHS-UHFFFAOYSA-N 275.352 2.657 30 40 CFEB CNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N 8377584 XYOYXPBVQVXPOP-FNORWQNLSA-N 285.303 2.776 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)C[C@H]1CCCO1 96449591 MVONJEGLTGLQEQ-CYBMUJFWSA-N 287.363 2.888 30 40 CFEB COc1cccc(CNCc2ccc(C#N)cc2)c1OC 37505868 QIIVHOHFABTHFA-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB C(=N/C1=NN(c2ccccc2)CC1)\c1ccccn1 36235792 QSQWNZUEYFPXLV-SFQUDFHCSA-N 250.305 2.724 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@H]2O[C@]2(C#Cc2ccccc2)C1 95951385 WEKDGBQFSYUYEI-MAUKXSAKSA-N 299.370 2.817 30 40 CFEB COCCN(C)c1ccc(/C=C/c2ccncc2C#N)cn1 390834527 AITRZHGBHHXWGD-HWKANZROSA-N 294.358 2.601 30 40 CFEB CO[C@H]1CCCCC[C@H]1NC(=O)C1(C#N)CCCC1 96460196 MKIIPDFJQYHTIG-OLZOCXBDSA-N 264.369 2.534 30 40 CFEB N#Cc1cc(N[C@@H]2CCC[C@@H]2O)ccc1C(F)(F)F 97104673 CHBRDAGUUDHDEU-NEPJUHHUSA-N 270.254 2.902 30 40 CFEB CC1(C)OB(c2c(O)cccc2C(F)(F)F)OC1(C)C 206117729 LVMCXHBDOGTLJA-UHFFFAOYSA-N 288.074 2.710 30 40 CFEB Cc1ccc(OCc2nnc(S[C@H](C)C#N)o2)cc1 31621821 WWQWQCPHIFQPSX-SNVBAGLBSA-N 275.333 2.961 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(N(C)C)cc1 32796572 PVXOQQHMRDAQQM-UHFFFAOYSA-N 293.370 2.896 30 40 CFEB N#C[C@H](c1ccccc1)N(C(N)=O)c1ccccc1 6575533 HKWHYCGBDQRTGS-CQSZACIVSA-N 251.289 2.837 30 40 CFEB Cc1cc(Br)ccc1CC(=O)N[C@H](C)CC#N 97048218 ZAJKXEYMPAHFFX-SNVBAGLBSA-N 295.180 2.718 30 40 CFEB Cc1ccc(C(=O)/C=C2/Nc3cccnc3NC2=O)cc1 100959358 WCBJXAFZXQHQHH-UKTHLTGXSA-N 279.299 2.521 30 40 CFEB CCC[N+](CC#CCO)(CC#Cc1ccccc1)CCC 1755125 RZGYYRHUJBCKNL-UHFFFAOYSA-N 284.423 2.671 30 40 CFEB C[C@@H](COc1ccccc1)Nc1ncccc1C#N 49000028 KKTJUHNYTSZQQB-LBPRGKRZSA-N 253.305 2.833 30 40 CFEB C[C@H](OCC1CC1)C(=O)Nc1ccc(CC#N)cc1 65475291 GSBWYNWNWAAEIQ-NSHDSACASA-N 258.321 2.506 30 40 CFEB C=CCn1c([C@@H](C)NC(=O)c2cccs2)n[nH]c1=S 6556235 NSEYUDBAPWGUMK-MRVPVSSYSA-N 294.405 2.679 30 40 CFEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccccc1F 4785902 PVWLUZYMSLKYLI-FSKGUYTJSA-N 298.408 2.823 30 40 CFEB O=C(O)c1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 4996201 ZEZSPQJBMSFQLH-CXUHLZMHSA-N 269.256 2.834 30 40 CFEB N#Cc1c(C(F)(F)F)nc2ccc(F)cc2c1O 75629441 RBJLVJCKIVLYNW-UHFFFAOYSA-N 256.158 2.970 30 40 CFEB CC1(C)C[C@@H](NCCCSCC#N)C(C)(C)O1 132587500 LCHSMGABUHLVQN-LLVKDONJSA-N 256.415 2.569 30 40 CFEB Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H](C)CC#N)no1 86283109 OREJMMHIHCNIBD-JTQLQIEISA-N 299.334 2.811 30 40 CFEB COc1cc(C#N)cc(N)c1OCc1ccccc1 223703121 FVNJPBDYOMJSED-UHFFFAOYSA-N 254.289 2.728 30 40 CFEB Cc1ccc(CNC(=O)C2(C#N)CCCC2)c(N(C)C)c1 84793893 RPYTZURIECUGTN-UHFFFAOYSA-N 285.391 2.761 30 40 CFEB Cc1ccccc1Cn1nc(C(F)(F)F)c(C#N)c1N 225844119 HHBKWOJBVFICHS-UHFFFAOYSA-N 280.253 2.713 30 40 CFEB C[C@H](c1ccsc1)N1CCN(c2ccc(C#N)nc2)CC1 97378405 NBQCJPNWEGFJKJ-CYBMUJFWSA-N 298.415 2.898 30 40 CFEB N#Cc1cnc(N(C[C@@H]2CCOC2)C2CC2)c(Cl)c1 95944370 XAUMUNRYBCYKRB-JTQLQIEISA-N 277.755 2.612 30 40 CFEB C=C(C)CN1CCC(OC[C@H]2CCCCO2)CC1 96455941 MKBGFYYAELYTTM-OAHLLOKOSA-N 253.386 2.613 30 40 CFEB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(C#N)cc1 29379066 ZVNXNOKSKWAIHL-GFCCVEGCSA-N 265.316 2.577 30 40 CFEB COC(=O)c1nn(Cc2cccc(C#N)c2)c2ccccc12 30952829 RVAIGJBKLMHHNQ-UHFFFAOYSA-N 291.310 2.743 30 40 CFEB C=C[C@@]12c3c4cc(OC)cc3O[C@H]1[C@@H](O)CC[C@@H]2CC4 4972533 TUGLWPQTLHFOHH-WGGXSYPISA-N 272.344 2.597 30 40 CFEB COc1cccc(/C=N/n2c(SC)nnc2C(F)F)c1 2791092 KLDNXOGYEJFLAE-VIZOYTHASA-N 298.318 2.828 30 40 CFEB C=CCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21 503729 LODUBVOZSAVXNP-UHFFFAOYSA-N 291.314 2.601 30 40 CFEB CC[C@H](OC)C(=O)N(c1ccc(C#N)cc1C)C1CC1 76019041 PCTMJEWCWPUAFA-HNNXBMFYSA-N 272.348 2.787 30 40 CFEB COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1 103504187 YCTLAYIEICOELT-HNNXBMFYSA-N 294.310 2.656 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccc(OC)c(Cl)c1 100415266 OHIUBPODGGOZOS-GDNBJRDFSA-N 291.134 2.876 30 40 CFEB O=C(Cc1cccc(F)c1)NCC#Cc1ccccc1 25071679 SDLHGZKKGSEHNX-UHFFFAOYSA-N 267.303 2.536 30 40 CFEB N#CCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 12650238 FYSQBMACMMUTTP-UHFFFAOYSA-N 274.063 2.754 30 40 CFEB N#Cc1c(N)n(C(=O)c2ccc(F)cc2)c2ccccc12 28535148 BBHIVPXKHKWQJG-UHFFFAOYSA-N 279.274 2.923 30 40 CFEB CCOC(=O)C1=C(O)CO/C1=N\c1cccc(Cl)c1 6783848 KBVSSOKLPJRQBT-QINSGFPZSA-N 281.695 2.775 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2c(F)cccc2F)c1 9338995 RTMAIKVQMWUHNO-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB C#Cc1cccc(NC(=O)N[C@@H](C)C(C)(C)CN(C)C)c1 79062327 LUUUDMISTYKIQJ-ZDUSSCGKSA-N 287.407 2.766 30 40 CFEB Cn1cc(N2CCC[C@H](Nc3cccc(F)c3C#N)C2)cn1 98013790 YWGJTRXPRDSQPU-LBPRGKRZSA-N 299.353 2.512 30 40 CFEB CCN(CC#N)C(=O)[C@H](C)CCc1ccccc1F 79733584 YQZOVKUQNMZWMV-GFCCVEGCSA-N 262.328 2.766 30 40 CFEB Cc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1C 31819363 WWXVKGVVZKASGP-WJDWOHSUSA-N 288.372 2.616 30 40 CFEB CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)C(=O)OCC 72399364 KLGSSMZKPJPOGR-MSIAHBHRSA-N 285.428 2.935 30 40 CFEB in-vitro CCCCc1nn(Cc2ccc(OC)cc2)c(N)c1C#N 225847539 FYWRMDQMBLDYHI-UHFFFAOYSA-N 284.363 2.736 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 96306181 AXBKZHIACBIGID-PGNZMLNNSA-N 273.405 2.673 30 40 CFEB C=CCN1Cc2ncc(C)n2C[C@H]1c1ccccc1 257296219 RBTJFLAVLCFATL-HNNXBMFYSA-N 253.349 2.934 30 40 CFEB C=CCN1CCC(Nc2cc(Cl)nc(C)n2)CC1 69951748 WMLQNVMINPVCCB-UHFFFAOYSA-N 266.776 2.501 30 40 CFEB O=C1CCCC2=C1N=C(O)C[C@@H]1c3ccccc3CCN21 6665596 FHSQITMXQFPYAJ-CQSZACIVSA-N 282.343 2.911 30 40 CFEB C#CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 32862886 MMWBTXPAOHAJIG-LBPRGKRZSA-N 252.317 2.833 30 40 CFEB CCO/C=N/c1c(C#N)cnn1-c1ccc(C)cc1 27986054 YTMBIBZJXBUZBF-MHWRWJLKSA-N 254.293 2.749 30 40 CFEB Cc1ccc(-n2cnnc2SCC#N)cc1Cl 12552813 ZXRGQZFGMOPNMD-UHFFFAOYSA-N 264.741 2.845 30 40 CFEB CN(C(=O)Cc1ccc(F)cc1)c1cccc(C#N)c1 49121501 JGLDKYWFXWHTCT-UHFFFAOYSA-N 268.291 2.903 30 40 CFEB O/C(Cc1cccs1)=N\c1nc(-c2ccccn2)n[nH]1 64372411 KTPBDWDBOKUFIP-UHFFFAOYSA-N 285.332 2.759 30 40 CFEB O=C(COc1ccc(/C=N\O)cc1)Nc1ccccc1F 409377727 JGKZXKKQIUUBQB-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB CCc1c(C(=O)N(C)C2(C#N)CCC2)cnn1CC(C)C 96005836 OSECTCQKYDBOHF-UHFFFAOYSA-N 288.395 2.620 30 40 CFEB CC[C@H](CO)Nc1cc(C#N)ccc1C(F)(F)F 97163667 QYAAZWQMGLFNBB-SECBINFHSA-N 258.243 2.760 30 40 CFEB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC#N)C(C)C 89689229 ITZKFJKMBBZWTC-GJZGRUSLSA-N 256.349 2.859 30 40 CFEB COc1ccc(/C=C(\C)c2cnccn2)cc1C#N 187648322 BMMQSUDUMPPMAM-YRNVUSSQSA-N 251.289 2.917 30 40 CFEB C=CCNC(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 70655604 TXMZIPKYCLOEKM-UHFFFAOYSA-N 272.308 2.661 30 40 CFEB O=C1/C(=C/c2cccnc2)CCc2c(O)cccc21 78694994 LZYCRNOXQNSTHA-FMIVXFBMSA-N 251.285 3.000 30 40 CFEB N#Cc1cc(N)c(N2CCCC2)n1Cc1ccccc1F 225864865 BDUIWKDEDFOPLM-UHFFFAOYSA-N 284.338 2.730 30 40 CFEB C=CCNC(=O)Nc1ccc(-c2cnc3n2CCC3)cc1 85471603 RMQPXIVHIRBRCQ-UHFFFAOYSA-N 282.347 2.804 30 40 CFEB C=CCC[C@@H](O)CN1CCC(Nc2ccccc2)CC1 96473594 ITEKLWMFUZCGMK-QGZVFWFLSA-N 274.408 2.890 30 40 CFEB CCC(=O)OCC#Cc1cc(Cl)ccc1OC 95631539 DQFNSHOKHVVPQR-UHFFFAOYSA-N 252.697 2.653 30 40 CFEB Cn1c2ccccc2n2c3ccccc3c(=O)c(C#N)c12 1652639 XRQNYPHNZPECFW-UHFFFAOYSA-N 273.295 2.816 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 22475059 FRECIYXPHRZOJR-UHFFFAOYSA-N 293.294 2.747 30 40 CFEB C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 34565690 KBQGZWJDMSGALX-JTQLQIEISA-N 271.357 2.798 30 40 CFEB COc1ccc(Cl)cc1N/C=C1/C(=O)C=C(C)OC1=O 100716249 RNDFLTGTQLGLHC-YFHOEESVSA-N 293.706 2.674 30 40 CFEB CCOc1ccccc1/C=N/c1cccc(C(N)=O)c1 297376 DEBAWMFVXVHBKF-WOJGMQOQSA-N 268.316 2.935 30 40 CFEB O=C(O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21)c1ccccc1 104068171 DDGVTCZIJXAZOT-KRJCKNDRSA-N 270.328 2.655 30 40 CFEB N#Cc1ccc(NCC(=O)NCCC2=CCCCC2)cc1 24216150 UWADVTJGKZREBA-UHFFFAOYSA-N 283.375 2.977 30 40 CFEB CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCCC2 20573412 ZGOZUEUTXGLMCE-UHFFFAOYSA-N 299.418 2.867 30 40 CFEB O=C(NCC#Cc1ccccc1)c1ccc(F)cc1F 58543343 FUAIWHGBMCPVOM-UHFFFAOYSA-N 271.266 2.746 30 40 CFEB CS(=O)(=O)/N=C(\O)c1sccc1-c1ccccc1 48479242 GNOCXTRKXAPQNR-UHFFFAOYSA-N 281.358 2.679 30 40 CFEB C#Cc1cccc(N(CC)Cc2noc(C3CC3)n2)c1 69702363 XMMJJZBXOWUEHD-UHFFFAOYSA-N 267.332 2.955 30 40 CFEB CN(C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 16597032 ORIKSGRBMHXGDV-UHFFFAOYSA-N 265.316 2.877 30 40 CFEB Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](C#N)CCC#N 72253981 SXUWURIZFKFDCF-LSDHHAIUSA-N 285.395 2.617 30 40 CFEB C=CCNC(=O)N1CCC(OC2CCC(C)CC2)CC1 78714639 VQRRXGLRCFPMAG-UHFFFAOYSA-N 280.412 2.942 30 40 CFEB COC(=O)[C@]1(C)O[C@]1(C)c1ccc(Br)cc1 85658047 OICRRMZBDWQUHS-NEPJUHHUSA-N 285.137 2.626 30 40 CFEB Cc1nn(C)c(C)c1C(=O)Nc1ccc(C2(C#N)CC2)cc1 225884391 QEBLVVOOROCOEV-UHFFFAOYSA-N 294.358 2.844 30 40 CFEB C#CCOc1c(C#N)cc(Br)cc1OCC 225290722 ONPWDHVMGBNCHP-UHFFFAOYSA-N 280.121 2.731 30 40 CFEB N#CCN[C@H](c1c(F)cccc1F)C(F)(F)F 96500241 OCFRWYXWZGDKIT-SECBINFHSA-N 250.170 2.681 30 40 CFEB N#Cc1ccc(N[C@@H]2CCOC3(CCCC3)C2)nc1 98020518 XEUAHKWOFYBKSI-CYBMUJFWSA-N 257.337 2.857 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)c1ccc(Br)o1 32735977 CMIANIJIPFTCNX-NSHDSACASA-N 285.141 2.710 30 40 CFEB COC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F 1565661203 NVPKJQMHPCPRKL-UHFFFAOYSA-N 272.116 2.992 30 40 CFEB N#CC1CCN(C(=O)CSc2ccc(F)cc2)CC1 61585607 YQRVKRDMYBPQSI-UHFFFAOYSA-N 278.352 2.680 30 40 CFEB Cc1cc(SC(=N)N)n2c(nc3ccccc32)c1C#N 76556577 UYMOSVQTJPQHKD-UHFFFAOYSA-N 281.344 2.653 30 40 CFEB CC(C)(O)C[C@H]1[C@@H](CNC2=CC(=O)CCC2)C1(C)C 3984267 JBAHDVUOMQNLIX-UONOGXRCSA-N 265.397 2.646 30 40 CFEB biogenic CC(C)C[C@H](C#N)NC(=O)C1=NO[C@H](c2ccccc2)C1 69653322 AIARXKDYEUCFAE-HIFRSBDPSA-N 285.347 2.558 30 40 CFEB O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N/O)c([N+](=O)[O-])c1 100467923 JRYYVHYZZLOJHW-JLDYROKLSA-N 279.252 2.991 30 40 CFEB COc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1 69770254 YFRQQDPBIFYSKM-UHFFFAOYSA-N 295.342 2.646 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)o1 58250921 XITZNYOBRLIZRF-VQHVLOKHSA-N 286.283 2.971 30 40 CFEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCC2)o1 58833308 NQRTUCJWOIITNF-UHFFFAOYSA-N 282.299 2.576 30 40 CFEB N#Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 14282595 HCQMSXYZYAKYSU-AWEZNQCLSA-N 291.310 2.623 30 40 CFEB C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C 15250549 SZPSWOKMQMRKEX-KRWDZBQOSA-N 292.338 2.895 30 40 CFEB N#Cc1ccc(CN2C(=O)CC3(CCCCC3)C2=O)cc1 7046587 RLGLBLZQIZHABD-UHFFFAOYSA-N 282.343 2.768 30 40 CFEB CCNC(=S)N/N=C/c1ccccc1O[C@H](C)CC 408602983 PLUAFGVAYMIHMO-HPUUJOOBSA-N 279.409 2.682 30 40 CFEB COc1cccc(/N=C2\C(=O)Nc3ccccc32)c1 38340062 RQPBIISGHGWSKO-UHFFFAOYSA-N 252.273 2.768 30 40 CFEB C[C@H](CCn1cccn1)Nc1ccc(CC#N)cc1 97095686 GTMUJWRUMIXUAJ-CYBMUJFWSA-N 254.337 2.840 30 40 CFEB CN(C)c1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95096022 GQPXTMIGBKTRCF-NWDGAFQWSA-N 275.270 2.771 30 40 CFEB C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 96182342 LJXQYLGPDVMGNL-IRXDYDNUSA-N 284.403 2.557 30 40 CFEB O=CC1(c2ccc(Br)cc2)CCOCC1 95097976 AYZRUUZEHRPMQF-UHFFFAOYSA-N 269.138 2.696 30 40 CFEB C=CCCC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 65554095 CZISEMHYIDZHMY-MRXNPFEDSA-N 299.374 2.601 30 40 CFEB C/C(=N\OC(=O)c1ccccc1)C(=O)c1ccco1 16137263 NBDPURMJFLKEET-XNTDXEJSSA-N 257.245 2.695 30 40 CFEB N#Cc1ccccc1CO/N=C/c1ccc2c(c1)OCO2 3591959 GPICKBDTJWNCAJ-GIJQJNRQSA-N 280.283 2.838 30 40 CFEB Cc1ccc(C(=O)[C@H](C)[n+]2ccc(N(C)C)cc2)cc1 4173235 CKEJYHPSIHXLHV-AWEZNQCLSA-N 269.368 2.792 30 40 CFEB CO/N=C\CC(=O)Nc1ccc(Cl)cc1Cl 100377959 CBPHNGPQFRJOGO-ACAGNQJTSA-N 261.108 2.954 30 40 CFEB CC[C@@H](C#N)NC(=O)c1ccc(OCC2CC2)cc1 69462843 VAWGGXJHMYTLAY-ZDUSSCGKSA-N 258.321 2.507 30 40 CFEB O=[N+]([O-])c1cc(/C=N\c2ccccc2O)ccc1O 408905074 SRZZEWICHWPLIE-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)cc1Cl 15293185 OQVAVSGQLSXOTH-CQSZACIVSA-N 297.761 2.945 30 40 CFEB N#Cc1ccc(NCc2ccnc(OCC3CC3)c2)nc1 67373392 QCAWMMGGTYZNPL-UHFFFAOYSA-N 280.331 2.749 30 40 CFEB CS[C@H]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)C1 96439199 CDSTXXVGWZPVFM-KBPBESRZSA-N 289.404 2.642 30 40 CFEB CN(C)c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409094061 BSVMLBBAQBZWJG-MHWRWJLKSA-N 285.307 2.502 30 40 CFEB N#CCC[C@@H](C#N)Cn1ccnc1[C@H](O)c1ccc(F)cc1 189438007 BWWBIRGQPCCFOS-SWLSCSKDSA-N 298.321 2.547 30 40 CFEB COC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 78411031 GXXARCVPKYTIMF-ZDUSSCGKSA-N 295.298 2.750 30 40 CFEB Cc1cc(=O)c2cc(Br)ccc2n1CC#N 40175598 NOSWVBWTPXMQEL-UHFFFAOYSA-N 277.121 2.596 30 40 CFEB N#C[C@@H](Cc1cccc(-c2ccccn2)c1)C(=O)O 585656330 UDHZHXZNFCMQAI-CYBMUJFWSA-N 252.273 2.515 30 40 CFEB O=C1/C(=C\NCc2ccccc2)Nc2ccccc21 101485707 PGIBPBJBVVNZPD-RVDMUPIBSA-N 250.301 2.926 30 40 CFEB N#Cc1ccc(Nc2ccc(N3CCC(O)CC3)cc2)nc1 52211172 CYKFDRNSOWWFPZ-UHFFFAOYSA-N 294.358 2.658 30 40 CFEB COc1ccc2c3c1OCC[C@]3(C#N)[C@H](CC#N)CC2 1721259 NETUQGWBXTYMBR-LRDDRELGSA-N 268.316 2.715 30 40 CFEB C#C[C@@H](C)N(C(=O)C(F)(F)F)c1ccc(C)cc1 6922876 AOARPTANDUNTBF-SNVBAGLBSA-N 255.239 2.912 30 40 CFEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccco1 101653109 GFHULFXGYOGXBZ-FOWTUZBSSA-N 256.305 2.867 30 40 CFEB C[C@@H](C#N)N1CCO[C@H](c2cccc(Br)c2)C1 97085882 HWMPBCSRALMDCC-GWCFXTLKSA-N 295.180 2.734 30 40 CFEB N#CCCOCC#CCN1CCCC[C@H]1c1cccnc1 58482552 IHCHCZPQZATNJV-KRWDZBQOSA-N 283.375 2.542 30 40 CFEB biogenic COc1cccc(OC)c1OC(=O)c1ccc(C#N)cc1 6559743 OVFWFTLGBAAQJA-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB COc1ccc(/C=N/[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 4785714 CZTMDZPKDBTDSQ-FQZJNNTBSA-N 260.381 2.843 30 40 CFEB N#Cc1ccc(NC(=O)CNc2cccc(F)c2)cc1 7971921 IYLCQVBNOFVVRI-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB CCCCNC(=O)CSc1nc(C)c(C)c(C)c1C#N 8194189 LJEXQZPTFCMAMK-UHFFFAOYSA-N 291.420 2.887 30 40 CFEB C/N=C(/NCCOc1ccccc1)N[C@@H](C)c1ccccc1 72271849 TXEFGSFUDDTHBM-HNNXBMFYSA-N 297.402 2.992 30 40 CFEB C[C@@H](Sc1ccccc1C#N)C(=O)NC(C)(C)C 75146497 DQZCAUXRLXUXNG-SNVBAGLBSA-N 262.378 2.954 30 40 CFEB C=CCNC(=O)N(Cc1ccc(F)cc1F)C1CC1 78408721 RDSJZXDLRGZCOV-UHFFFAOYSA-N 266.291 2.825 30 40 CFEB CCC[C@@H](C)CS(=O)(=O)/N=C(\O)CCc1ccco1 79029198 XGXNQNDFKDBHDJ-LLVKDONJSA-N 287.381 2.935 30 40 CFEB C=CCN1CCN(Cc2cccc(C)n2)Cc2cccnc21 96198881 KADAAXZVZHOVII-UHFFFAOYSA-N 294.402 2.793 30 40 CFEB CCCS(=O)(=O)/N=C(\O)c1cccc(C(F)(F)F)c1 96416215 FLDQXLVKVNGVLY-UHFFFAOYSA-N 295.282 2.750 30 40 CFEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1F 14607503 BRGQUWUUNNPLGZ-BJOHPYRUSA-N 298.321 2.685 30 40 CFEB Cc1ccc(CCN(CC#N)CC(F)(F)F)cc1 75886145 GABYVZSMTFQKES-UHFFFAOYSA-N 256.271 2.925 30 40 CFEB C[C@@H](C[C@H](C#CCN(C)C)N(C)C)CC(C)(C)C 1593747 HEZYTKNQCGFASS-GJZGRUSLSA-N 252.446 2.944 30 40 CFEB O/N=C(\CN1CCN(c2ccccc2)CC1)c1ccccc1 8627230 PYPLNBLUNLPOGT-VHEBQXMUSA-N 295.386 2.687 30 40 CFEB C(=N\N=C\c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 8652404 MBQLJZPLRISBPE-ZZDPWUPLSA-N 296.282 2.597 30 40 CFEB C=C1C[C@H](OC(C)=O)/C=C(\C)CC[C@@H](C(C)(C)O)C[C@H]1O 8655500 WAGDOKQHNWIHJF-UIJWQDAMSA-N 296.407 2.743 30 40 CFEB N#C[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 548600 GBAJCPCDZBGOEA-ZJUUUORDSA-N 274.370 2.814 30 40 CFEB CN(CC(C)(C)CN)c1ccc(C#N)c(Cl)c1 93874674 KKRNMUIPWAQXHP-UHFFFAOYSA-N 251.761 2.633 30 40 CFEB N#CCCN(CC(F)(F)F)C(=O)c1ccnc(Cl)c1 76092207 IWMRLEPLRKZMLW-UHFFFAOYSA-N 291.660 2.653 30 40 CFEB CN(C)c1ccnc(Nc2ccc(F)cc2)c1C#N 36382151 FYHVDMACOFGDHG-UHFFFAOYSA-N 256.284 2.902 30 40 CFEB CCCOc1ccc(N/C(N)=N\c2nc(C)cc(C)n2)cc1 6352067 DBQCTQQNGBADLF-UHFFFAOYSA-N 299.378 2.941 30 40 CFEB C=CCNC(=O)CCC(=O)N[C@@H](C)CCCCCC 4672748 IOGYDOGXCSMMBY-ZDUSSCGKSA-N 268.401 2.544 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 73640140 LKVCOAHZCDFHSQ-UHFFFAOYSA-N 271.228 2.645 30 40 CFEB N/C(=N\O)c1sc(-c2ccccn2)nc1-c1ccccc1 98072723 NGPATOBOPBULJG-UHFFFAOYSA-N 296.355 2.967 30 40 CFEB N#Cc1ccc(Cn2cccn2)c(Br)c1 96496131 YTJNQSVBXWOJJN-UHFFFAOYSA-N 262.110 2.566 30 40 CFEB CC(C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl 42210782 VPHGITKNOHAODN-VIFPVBQESA-N 266.728 2.504 30 40 CFEB N#Cc1ccc(N2CCc3cc(F)ccc3C2)cn1 91673355 RTPUKTHJKFZBTB-UHFFFAOYSA-N 253.280 2.655 30 40 CFEB CSC(=NC#N)SCSc1nnc(C)s1 252634038 WJTHAAHHRYXVEQ-UHFFFAOYSA-N 276.437 2.829 30 40 CFEB O=C1CSC(=S)N1/N=C/c1ccccc1Cl 1711077 KAQQUTMMRWRQSO-LFYBBSHMSA-N 270.766 2.534 30 40 CFEB CCc1ccc([C@@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc1 82697 FDRLCEIYHTVQMM-OAHLLOKOSA-N 280.331 2.781 30 40 CFEB O=c1c(/C=N/O)c(Sc2ccccc2)nc2ccccn12 100862603 KLHHRUHYHCDARW-MHWRWJLKSA-N 297.339 2.654 30 40 CFEB COc1ccc(O)c(/C(C)=N/Nc2ccc(Cl)nn2)c1 20930177 ZUGSJAOPKGWAIS-OVCLIPMQSA-N 292.726 2.680 30 40 CFEB CC#C[P@@](=O)(OC)[C@@](O)(CF)c1ccccc1 547947 JOUKWMOMHKSHCK-YVEFUNNKSA-N 256.213 2.707 30 40 CFEB COc1cnc(SC)nc1Nc1ccc(C#N)cc1 1685876 RDNUOHJSPWSVTL-UHFFFAOYSA-N 272.333 2.822 30 40 CFEB Oc1ccccc1/C=N\c1ccc(N2CCOCC2)cc1 100927103 WPPYOODXRLUZOK-AQTBWJFISA-N 282.343 2.979 30 40 CFEB N#Cc1c(F)cccc1NCc1ccc(CO)c(F)c1 58328313 JWQYQTADLOCPCR-UHFFFAOYSA-N 274.270 2.941 30 40 CFEB C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(C#N)c1 3328616 SEBHNXOSLORCAJ-ZDUSSCGKSA-N 292.338 2.915 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1Cl 36874879 JBAVNQXTLUTFDJ-AWEZNQCLSA-N 279.771 2.806 30 40 CFEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N 5249158 KIAHLNYLAFORMI-UHFFFAOYSA-N 250.305 2.812 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/c2ccc(O)cc2)c1O 409103277 VSYIDBXDLCTZFP-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc2c(c1)OCCO2 5461718 JJUQDPFYFUJRRH-LICLKQGHSA-N 294.314 2.780 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 5868398 UXHCBQDTRJEOMN-CYBMUJFWSA-N 280.327 2.989 30 40 CFEB C=CC[C@H](C)[C@@H](C)NCc1cccc(C(=O)NC)c1 95420964 RDCAKIPFDOURRZ-QWHCGFSZSA-N 260.381 2.737 30 40 CFEB CC(C)(C)c1cc(C#N)n(Cc2ccc(C(=O)O)o2)c1 78404908 NGECYWLSQLDLFM-UHFFFAOYSA-N 272.304 2.997 30 40 CFEB CC(C)(C(=O)Nc1ccncc1O)c1cccc(C#N)c1 97237541 ARYUWQRNCUUABB-UHFFFAOYSA-N 281.315 2.575 30 40 CFEB C=C[C@@](C)(CC)C(=O)NC1CCN(CC(F)(F)F)CC1 97104337 YSWQBVQMGUFYPC-ZDUSSCGKSA-N 292.345 2.732 30 40 CFEB C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 98214445 RJLKXMONMKZDGP-RTWAVKEYSA-N 250.338 2.842 30 40 CFEB biogenic CC[C@H](C)S(=O)(=O)/N=C(\O)c1cccc2ncccc12 97372404 GRINUSZTSJOIFX-JTQLQIEISA-N 292.360 2.668 30 40 CFEB COCCOCCC(F)(F)C(F)(F)C(F)(F)F 1565659641 RYPRNKGTHFRDRL-UHFFFAOYSA-N 272.160 2.872 30 40 CFEB C#CCOc1cc(C(C)C)nc2cc(C3CCOCC3)nn12 19452444 AATHCPOBAZFBTJ-UHFFFAOYSA-N 299.374 2.759 30 40 CFEB COc1ccccc1-c1nnc(/N=C(\O)C(F)(F)F)o1 19927249 PGPRJXJLUZWBOU-UHFFFAOYSA-N 287.197 2.896 30 40 CFEB O=C(O)c1cc(/N=C/c2ccccc2O)cc(C(=O)O)c1 1713297 FETRQNJXKFMYQL-LZYBPNLTSA-N 285.255 2.539 30 40 CFEB in-vitro O=[N+]([O-])c1ccc(COc2ccccc2/C=N\O)cc1 6926833 KZCHPZOHTBQOQV-DHDCSXOGSA-N 272.260 2.982 30 40 CFEB CN(C)C(=NCc1csc(-c2ccccc2)n1)N(C)C 97001224 KOBZITCIXSBKNH-UHFFFAOYSA-N 288.420 2.789 30 40 CFEB O=C(O)c1ccccc1N/N=C1/CCOc2ccccc21 54292383 GYOIOHGOAFYNAA-JXAWBTAJSA-N 282.299 2.984 30 40 CFEB N#Cc1c(F)cccc1NCCCOC1CCOCC1 76063317 OLSPPNCXXHRKII-UHFFFAOYSA-N 278.327 2.695 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccc3c(c2)CCO3)cc1 58202448 LVFMWDBRKOPTCJ-UHFFFAOYSA-N 293.326 2.544 30 40 CFEB N#C[C@@H](C(=O)C1=Cc2ccccc2OC1)c1ccccn1 58265635 GAIBUFPTLHCZLU-CQSZACIVSA-N 276.295 2.734 30 40 CFEB Cc1cccc2c1N[C@@H](c1cccc(C#N)c1)NC2=O 28923790 CQLXTWYYUMDRHW-OAHLLOKOSA-N 263.300 2.721 30 40 CFEB CC[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CCS1 78940392 UFYACIHGDPMLCV-CQSZACIVSA-N 289.404 2.595 30 40 CFEB C#CCC1(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CCC1 95444812 FNMOETUZOFXYIT-UHFFFAOYSA-N 296.370 2.711 30 40 CFEB CC(C)(C)OC(=O)N[C@H](Cc1cc(F)cc(F)c1)[C@@H]1CO1 98087695 NKGKCDXMOMAORK-OLZOCXBDSA-N 299.317 2.799 30 40 CFEB COC(=O)[C@@H]1O[C@]1(C)c1ccc(Cl)cc1Cl 85657660 KVDMLLNFJWIQDE-GXSJLCMTSA-N 261.104 2.780 30 40 CFEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 222285410 QIESSCZYAMITEQ-KGILTMSRSA-N 294.354 2.526 30 40 CFEB N#Cc1cc(F)ccc1CSC[C@@H](O)C(F)(F)F 191124224 QAQZSHMRHSHIBJ-SNVBAGLBSA-N 279.258 2.854 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1OC 620316762 HIZBISNFBZDKEB-OKILXGFUSA-N 287.359 2.784 30 40 CFEB O=C(O)c1cccc(/C=C/C(=O)c2cccc(C(=O)O)c2)c1 90157658 GGSXBXXTHYHDEO-BQYQJAHWSA-N 296.278 2.979 30 40 CFEB COc1cc(I)c(CC#N)cc1F 169799928 CWNAKAFYNFWRJJ-UHFFFAOYSA-N 291.063 2.505 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccsc2)C1=O 1015278 XVPDUJSYOGPLHE-RMKNXTFCSA-N 251.332 2.970 30 40 CFEB COc1ccc(/C=C/C(=O)c2sc(N)nc2C)cc1 16957592 XIOMLHYWUDUONW-VMPITWQZSA-N 274.345 2.938 30 40 CFEB O=C(c1ccccc1)[C@H]1O[C@H]1C(=O)c1ccccc1 17042084 ADFLDJCSCJHDEY-IYBDPMFKSA-N 252.269 2.520 30 40 CFEB N#CCCCN1CCN(c2ncccc2C(F)(F)F)CC1 2380616 KVOVKQHKSDOKGS-UHFFFAOYSA-N 298.312 2.526 30 40 CFEB N#Cc1ncn(CCOc2c(Cl)cccc2Cl)n1 21914407 GYKGCMUNGNIJPD-UHFFFAOYSA-N 283.118 2.536 30 40 CFEB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1 2298048412 FMAAXWKYQRMEQO-AWEZNQCLSA-N 285.391 2.689 30 40 CFEB N#Cc1cccnc1S[C@H](C(=O)O)c1ccccc1 20120573 XHHDJSKTZUNBNV-LBPRGKRZSA-N 270.313 2.871 30 40 CFEB CN(C)CCCNC1=CC(=O)C[C@H](c2ccccc2)C1 100152298 WBYOFEUSSOXXSY-OAHLLOKOSA-N 272.392 2.558 30 40 CFEB CCc1cccc2c(N3CCC[C@H](O)C3)c(C#N)cnc12 32932687 RJFVCMYFPOCUFO-AWEZNQCLSA-N 281.359 2.630 30 40 CFEB CCc1nn(C)cc1CNc1ccc(CC#N)cc1 97050484 NGSPUBBFOZMALJ-UHFFFAOYSA-N 254.337 2.661 30 40 CFEB N#Cc1ccc(C(=O)Nc2cncc(Cl)c2Cl)nc1 97046994 DHRXRHSQIIUIJC-UHFFFAOYSA-N 293.113 2.907 30 40 CFEB CCOc1ccc(/C=N\[N+](C)(C)C)cc1OCC 104072635 NANDXZYTCQTHRT-PTNGSMBKSA-N 251.350 2.524 30 40 CFEB CN(C)[C@H](CNC(=O)c1cccc(C#N)c1)c1ccsc1 25328994 IFKOFCNKJRSFFA-OAHLLOKOSA-N 299.399 2.652 30 40 CFEB CNc1nnc(SCCOc2ccc(C#N)cc2)s1 12785486 MDPBQFAEGFBAQV-UHFFFAOYSA-N 292.389 2.623 30 40 CFEB C=CCn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 3961046 MYIBMEZKMCAQBG-UHFFFAOYSA-N 296.330 2.529 30 40 CFEB C[C@@H]1Oc2ccccc2CN(c2cccc(C#N)c2)C1=O 64542449 ZIKLXWOADBJGRL-LBPRGKRZSA-N 278.311 2.872 30 40 CFEB N#Cc1c(-c2ccccc2)nn(-c2ccccc2)c1N 3850666 OINIIZPIAZFCFG-UHFFFAOYSA-N 260.300 2.993 30 40 CFEB biogenic CCCc1ncc(C(=O)[C@@H](C#N)c2ccccn2)s1 76824571 MEAMYLAROYPHIC-JTQLQIEISA-N 271.345 2.981 30 40 CFEB C#CCN[C@H](C)c1ccc(I)cc1 37184852 DEMRVYMWCIPVNG-SECBINFHSA-N 285.128 2.575 30 40 CFEB C#CCOC(=O)c1ccc2oc(-c3cccnc3)nc2c1 73634095 GWNLNAUXIFPDRX-UHFFFAOYSA-N 278.267 2.680 30 40 CFEB COc1cc(Nc2ncccc2C#N)ccc1NC(C)=O 96452860 ULTGGUSZMPBLFU-UHFFFAOYSA-N 282.303 2.664 30 40 CFEB CCc1ccccc1-n1nc(C#N)c(N(CC)CC)n1 256047266 LMOWLSQXHMMMKD-UHFFFAOYSA-N 269.352 2.548 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1 4215654 HIPIFFZGPOCRPX-ZZXKWVIFSA-N 269.300 2.995 30 40 CFEB in-man O=C(O)c1cc(/N=C\c2ccccc2O)cc(C(=O)O)c1 13099330 FETRQNJXKFMYQL-PXNMLYILSA-N 285.255 2.539 30 40 CFEB in-vitro O/N=C1C(=N\O)/N(c2ccccc2)CCN/1c1ccccc1 17140285 VUEPGFXIACDTSV-JRDMOELTSA-N 296.330 2.589 30 40 CFEB N#Cc1cccc(C(=O)NCc2ccc(C3CC3)nc2)c1 585150266 NPILEFMMHYAFEF-UHFFFAOYSA-N 277.327 2.761 30 40 CFEB N#Cc1c(NCCO)nc(C2CCCCC2)c2c1CCC2 31808297 PEGLQUZFKKXYDG-UHFFFAOYSA-N 285.391 2.894 30 40 CFEB N#Cc1cc(Sc2ccc(N)c(C#N)c2)ccc1N 344345 HSUYVLRLGOKVNJ-UHFFFAOYSA-N 266.329 2.746 30 40 CFEB CCCCCCCN1C(=O)c2ccccc2S1(=O)=O 1592976 FYNVDOWAKPQORI-UHFFFAOYSA-N 281.377 2.802 30 40 CFEB CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nccnc1C#N 96411324 WNHVEEBRWCEFLX-DGCLKSJQSA-N 274.368 2.601 30 40 CFEB Cc1[nH]/c(=N\N=C\c2ccc(N(C)C)cc2)sc1C 59483036 AIVUSDAPNBCNKP-OQLLNIDSSA-N 274.393 2.694 30 40 CFEB COC(=O)c1occc1/C=C/C(=O)c1cccc(O)c1 12568062 DYXDEVNFEPXKPM-AATRIKPKSA-N 272.256 2.668 30 40 CFEB COc1ccc(C(/N=N\c2ccccc2)=N/NC(=N)N)cc1 104094972 YTWUCLFZDNCRBH-LFKBXCEASA-N 296.334 2.624 30 40 CFEB N#C[C@@H](C(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 37865945 GEOWTPXJRIBYRZ-GFCCVEGCSA-N 276.299 2.809 30 40 CFEB O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cccnc1 13004341 MDYGLUFTXFNXEF-VMPITWQZSA-N 276.299 2.558 30 40 CFEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/O)c1ccccc1 5536192 MVRJKCVBRDYVOI-ZBQKJFDRSA-N 293.326 2.904 30 40 CFEB N#Cc1cccnc1NCc1ccnc(N2CCCCC2)c1 71811140 QCIDWXLWKVMAOZ-UHFFFAOYSA-N 293.374 2.951 30 40 CFEB CC#CCSc1nnc(NCC(F)(F)F)s1 97599513 OIWJNSKQYGPCAH-UHFFFAOYSA-N 267.301 2.628 30 40 CFEB C=CCCCn1nc(C)c([C@@H](C)C(=O)OC)c1C 95431596 SGECKRKUEPQFCR-SNVBAGLBSA-N 250.342 2.743 30 40 CFEB O=C(/C=C/c1ccc([N+](=O)[O-])c(O)c1)c1nccs1 75137278 CLEVMMBFVHWXMW-DUXPYHPUSA-N 276.273 2.653 30 40 CFEB CCCn1nc(OCc2ccccc2Cl)c(C#N)c1N 225830814 OYEAOTXIWSYOMK-UHFFFAOYSA-N 290.754 2.979 30 40 CFEB CCN(CC(=O)NC(C)C)/C(=N/C(C)C)c1cccs1 57991471 IPMJHPUKKFTWEV-BMRADRMJSA-N 295.452 2.750 30 40 CFEB Cc1cccc(F)c1NC(=O)c1ccc(C#N)cn1 95463699 YFLHKWONZXFFLV-UHFFFAOYSA-N 255.252 2.653 30 40 CFEB C[C@H]1C/C(=N\Oc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C 13556354 YLUPTEYKJCDJHX-NFYHWTQCSA-N 277.324 2.690 30 40 CFEB CN(C)[C@H](CNC(=O)c1ccc(C#N)cc1)c1cccs1 27317441 FNFNLZKCQKMVTR-CQSZACIVSA-N 299.399 2.652 30 40 CFEB Cc1ccc(S(=O)(=O)OC/C=C\Br)cc1 952958823 NXUJFSNRLCLBBO-UQCOIBPSSA-N 291.166 2.609 30 40 CFEB C=CCN1CCO[C@H]2CCN(CC3CCCCC3)CC[C@@H]21 2055745800 CBASWSPIOUPZEU-ROUUACIJSA-N 292.467 2.918 30 40 CFEB CN(C)c1ccc(/C=N/N=C/c2ccccc2O)cc1 1709494 NQSZXCSEOWBWRN-JYFOCSDGSA-N 267.332 2.911 30 40 CFEB Cn1c(SCc2cccc(C#N)c2)nnc1C(F)(F)F 125318 VLWIEUNALPSEPL-UHFFFAOYSA-N 298.293 2.998 30 40 CFEB C[C@H]1C/C(=N\NC(=S)NC[C@H]2CCCO2)CC(C)(C)C1 21763012 XNDXWFLGUJGCRH-WAXSKAHWSA-N 297.468 2.832 30 40 CFEB CC(C)Cc1nc(OCC(=N)O)c(C#N)c2c1CCCC2 12325090 INMYOBFOUYINDZ-UHFFFAOYSA-N 287.363 2.945 30 40 CFEB C[C@H](O)c1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1 53755766 LXCGTYFIYCJNQW-LBPRGKRZSA-N 295.342 2.933 30 40 CFEB C=C(C)Cn1c(=O)n(C)c(=O)c2c(CC(C)C)csc21 12409278 VHFFYAGBMQFAOI-UHFFFAOYSA-N 292.404 2.536 30 40 CFEB CC(C)(C)OC(=O)C[C@H]1C[C@H](CC#N)OC(C)(C)O1 34441189 DPNRMEJBKMQHMC-WDEREUQCSA-N 269.341 2.542 30 40 CFEB in-vitro CN(C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 25419980 MNDNPVYZYYDIBB-MRXNPFEDSA-N 288.391 2.562 30 40 CFEB Cc1ccc(F)c(C(=O)OCC2(C#N)CCOCC2)c1 97056697 IMJYDCXWTFXDSJ-UHFFFAOYSA-N 277.295 2.611 30 40 CFEB CCN1C(=O)/C(=N\NCc2ccccc2)c2ccccc21 6520115 UJXNQKVDTHCDBG-MNDPQUGUSA-N 279.343 2.547 30 40 CFEB O=C(O)c1ccc(N/N=C/c2ccc3nccnc3c2)cc1 5561692 YARNNPMHKWLMOC-VXLYETTFSA-N 292.298 2.774 30 40 CFEB C/N=C1\S/C(=C/c2ccc(Cl)s2)C(=O)N1C 4704694 INPZOLRPCMYRJM-RFALSVCPSA-N 272.782 2.933 30 40 CFEB CCC(=O)[C@@H](C#N)c1nnc(-c2ccccc2)s1 6788070 VKXZPRSHFCWYHK-SNVBAGLBSA-N 257.318 2.791 30 40 CFEB C=CCNC(=O)C(=O)NCCCCCCCCCC 408706732 CUWASVYFCVZNOB-UHFFFAOYSA-N 268.401 2.546 30 40 CFEB COc1cc(/C=C2/COc3ccccc3C2=O)cc(O)c1O 96767448 YXVSCIVNHLPGBQ-WDZFZDKYSA-N 298.294 2.765 30 40 CFEB N#Cc1ccc(N[C@@H](CCO)C2CCCCC2)nc1 78798529 SIPSTQDOKTWYFV-AWEZNQCLSA-N 259.353 2.696 30 40 CFEB Cc1ccccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409101512 UKRGMHPLDHGQCT-OQLLNIDSSA-N 256.265 2.744 30 40 CFEB COc1ccc(NC(=O)C(C)(C)Br)cc1C#N 225786592 YIAPCNXXWGDBKN-UHFFFAOYSA-N 297.152 2.679 30 40 CFEB C=C[C@@H]([C@@H](NCc1ccccc1)C(=O)O)C(F)(F)F 199555198 QTYCDKIGDYXOEA-WDEREUQCSA-N 273.254 2.594 30 40 CFEB C=C(C)CCOC(=O)c1ccc(-n2cncn2)c(F)c1 96442849 LPXTWEGPLVLMRM-UHFFFAOYSA-N 275.283 2.529 30 40 CFEB C=CC[C@@H](CC)NC(=O)NCc1ccc(O)c(OC)c1 252484456 FWUAHBGLTQBORL-GFCCVEGCSA-N 278.352 2.555 30 40 CFEB N#Cc1ncn(CCCOc2cccc(C(F)(F)F)c2)n1 69288096 OQFYULHVTRFQLQ-UHFFFAOYSA-N 296.252 2.638 30 40 CFEB N#CC1(C(=O)NCCOCc2ccccc2)CCCCC1 96446356 GRADYGDZWNPZMA-UHFFFAOYSA-N 286.375 2.793 30 40 CFEB COc1ccccc1/C(=N/Nc1ccccc1)[N+](=O)[O-] 5574370 NZSPHNPOYPUTGV-PEZBUJJGSA-N 271.276 2.746 30 40 CFEB O=C1C(=CNc2ccc3c(c2)OCO3)C(=O)c2ccccc21 2543552 RQJPVKUHXWUMMJ-UHFFFAOYSA-N 293.278 2.790 30 40 CFEB CC(=O)C1=C(O)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 4453227 JPJYLHIERAUYQA-ZDUSSCGKSA-N 273.332 2.556 30 40 CFEB C=CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OC 2932219 BIJSDXPMZRSRTF-XYOKQWHBSA-N 291.328 2.584 30 40 CFEB CCCN(CC#N)C(=O)Cc1c(F)cccc1Cl 44373005 KQLDFUGWFNNEAU-UHFFFAOYSA-N 268.719 2.784 30 40 CFEB COc1cc(/C=[N+](/[O-])c2ccccc2)cc(OC)c1O 1890148 LRECVXZDOQOTFG-MHWRWJLKSA-N 273.288 2.670 30 40 CFEB CN(C)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 3556035 REWHHGYPSLXOCM-UHFFFAOYSA-N 280.327 2.981 30 40 CFEB CN1CCc2c(-c3ccsc3)nc(S)c(C#N)c2C1 6857599 RZSFAZUJRQGZBI-UHFFFAOYSA-N 287.413 2.958 30 40 CFEB Cc1noc(C)c1CN(CCC#N)Cc1ccccn1 78969965 YOPMNWLRFIUBQQ-UHFFFAOYSA-N 270.336 2.602 30 40 CFEB COc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1C#N 95442573 NDLNARSPROCSFX-UHFFFAOYSA-N 274.283 2.982 30 40 CFEB N#Cc1ccccc1CNc1cc(C(N)=O)c(F)cc1F 75140709 JLKGYIQJVRRCEV-UHFFFAOYSA-N 287.269 2.547 30 40 CFEB N#Cc1cc([N+](=O)[O-])c(NCc2ccco2)c([N+](=O)[O-])c1 26509006 NUPSRNDBONSPFO-UHFFFAOYSA-N 288.219 2.580 30 40 CFEB O/N=C\c1cc(Br)cc(Cl)c1O 216780211 BKURFPBLGDWAMT-KMKOMSMNSA-N 250.479 2.616 30 40 CFEB C=CCOC(=O)c1ccc2[nH]c(-c3ccncc3)nc2c1 216729046 YZIPTQWMHDOQLR-UHFFFAOYSA-N 279.299 2.968 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OC)cc1 96055802 WDXJUOPTCGMUJO-DLBZAZTESA-N 272.392 2.530 30 40 CFEB Fc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1 95095924 XEPWDPZPVJDBEM-NXEZZACHSA-N 250.191 2.845 30 40 CFEB C=C1CCCN(c2cc(C(F)(F)F)nc(C)n2)C1 618254347 ZKTQBXQBJRYBFY-UHFFFAOYSA-N 257.259 2.960 30 40 CFEB FC(F)(Br)C(F)(F)CCCOC[C@H]1CO1 1083808034 WICBDSHURPNXFJ-LURJTMIESA-N 295.070 2.805 30 40 CFEB COc1ccc(CC2=C/C(=N\O)C(C)=CC2=O)cc1 17836459 VJCCPTSFHINYIC-JQIJEIRASA-N 257.289 2.523 30 40 CFEB CN(C)C[C@H]1CCC/C1=N\OC(=O)c1ccccc1 16957513 BPNOHIZSXDLBDZ-ZPTIMJQQSA-N 260.337 2.561 30 40 CFEB C=CCNC(=S)N1CCS/C1=N\c1ccccc1 5377350 DTLITSVGUGWZTE-SQFISAMPSA-N 277.418 2.783 30 40 CFEB COc1ccccc1/N=C(\N)Nc1ccccc1OC 5319575 SUWFNJNGGZUBSG-UHFFFAOYSA-N 271.320 2.762 30 40 CFEB C=CCN(CC=C)C(=O)CN(C)Cc1ccccc1Cl 40161829 XSYHZRCFMYDNKW-UHFFFAOYSA-N 292.810 2.972 30 40 CFEB CC(C)[C@@H]1CC[C@H](C)[C@H](C(C#N)(C#N)C(C#N)C#N)C1=O 502541 RXUGENCIFOVTBC-UBHSHLNASA-N 282.347 2.571 30 40 CFEB N#CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58391874 LJIFWIAMQHTRMU-GFCCVEGCSA-N 286.310 2.579 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1 5163141 SWIZYLOPMGMHNJ-MHWRWJLKSA-N 299.286 2.827 30 40 CFEB COc1cc(/C(C)=N\O)ccc1OCC(F)(F)F 19441261 IWOCXHLWPPMDCS-CHHVJCJISA-N 263.215 2.835 30 40 CFEB CNc1ccc(/C=C/C(=O)c2cccnc2)cc1[N+](=O)[O-] 6637409 WJNZJKHBQVRUIZ-FNORWQNLSA-N 283.287 2.928 30 40 CFEB C/C(=N\Nc1ccccn1)c1ccc2c(c1)OCO2 5688417 QNKVPKOUDGRDPV-MHWRWJLKSA-N 255.277 2.646 30 40 CFEB CC1(C)OB(c2ccnc3[nH]cc(Cl)c23)OC1(C)C 306972503 WBJHVEOBCPZOQM-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB C=CCN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 66559937 ANZIALVLULEAAW-AWEZNQCLSA-N 299.823 2.515 30 40 CFEB CCc1ccc(/C=N/NCc2ccccc2OC)o1 20762649 VPKYGKIIQBTTIM-GZTJUZNOSA-N 258.321 2.974 30 40 CFEB N#CC1CCN(C(=O)c2ccc(Br)cc2)CC1 32155041 FTMDACGYHBYSBM-UHFFFAOYSA-N 293.164 2.825 30 40 CFEB COC(=O)c1cccc(-n2c(C)cc(C#N)c2C)c1 223715183 YICOYDJNNSMOOW-UHFFFAOYSA-N 254.289 2.752 30 40 CFEB Cc1ncsc1N=C(O)c1cnn(CC(C)C)c1 330833416 SSLNQEJKRPGXNE-UHFFFAOYSA-N 264.354 2.940 30 40 CFEB Cn1c(C/C(=N/O)c2ccccc2)nc2ccccc21 100265548 VCGVKTADLHNERP-JXAWBTAJSA-N 265.316 2.994 30 40 CFEB C=C(Br)CN(C)[C@@H](C)c1ccncc1 96485795 JHBLIHSOTKVXFV-JTQLQIEISA-N 255.159 2.983 30 40 CFEB CC(C)c1ccc(C[C@H](C)/C=N/NC(N)=S)cc1 16970283 WYDNEFWZWQTTCX-UJFYRASASA-N 263.410 2.808 30 40 CFEB C=CCN(C)C(=O)NC1CCC(C(F)(F)F)CC1 153673225 YIAZRDUQNUPLBW-UHFFFAOYSA-N 264.291 2.935 30 40 CFEB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1 32882483 ASUBFYOGHHCEIJ-UHFFFAOYSA-N 288.738 2.814 30 40 CFEB N#Cc1ccc(NC(=O)CNCC2CCCCC2)cc1 4897784 MTXMJWOWOYPHTC-UHFFFAOYSA-N 271.364 2.667 30 40 CFEB CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 570376 LQFCRJHEQDKNGL-ZETCQYMHSA-N 293.417 2.577 30 40 CFEB CN(Cc1cccc(C#N)c1)Cc1cc2c(cc1O)OCO2 25477615 JZGHBUOKIBELFB-UHFFFAOYSA-N 296.326 2.625 30 40 CFEB N#C[C@H](C(=O)CC(C1CC1)C1CC1)C(=O)NC1CCCC1 58278058 VLDLNLSPXCEAFS-OAHLLOKOSA-N 288.391 2.580 30 40 CFEB O=C(O)C(C(=O)c1ccccc1)=C1Nc2ccccc2N1 5517602 HYJYKNZGSJWCCH-UHFFFAOYSA-N 280.283 2.703 30 40 CFEB N#Cc1ccccc1NC(=O)CSCc1ccccn1 71795749 GTDOUARPJVYVOX-UHFFFAOYSA-N 283.356 2.825 30 40 CFEB CC(C)c1ccc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cc1 7534751 ZVSNDOZJYYHAAO-UHFFFAOYSA-N 297.314 2.800 30 40 CFEB N#Cc1ccc(Cl)cc1N1CCC[C@H](C2OCCO2)C1 71914514 XXTFNJISHPZYEY-LBPRGKRZSA-N 292.766 2.801 30 40 CFEB N#C[C@@H](C(=O)Nc1ccccc1F)c1nccn1C(F)F 89814108 SFEQQTDUNIPFQI-MRVPVSSYSA-N 294.236 2.663 30 40 CFEB Cc1ccc(/C(O)=N/S(=O)(=O)C(C)C)cc1Cl 78411419 PNWOZYJTQXMGCY-UHFFFAOYSA-N 275.757 2.691 30 40 CFEB C[C@H](Sc1ncc(CO)n1C)c1cccc(C#N)c1 189853576 HUFCWUHTDLOWKD-JTQLQIEISA-N 273.361 2.637 30 40 CFEB C=C1CCC(NC(=O)c2cc(-c3cccnc3)on2)CC1 667618505 HMRASZQULNQEMK-UHFFFAOYSA-N 283.331 2.965 30 40 CFEB N#Cc1ccc(Nc2ccccc2N)c([N+](=O)[O-])c1 5799721 LCNOIHCSHAXULY-UHFFFAOYSA-N 254.249 2.792 30 40 CFEB N#Cc1ccc(-c2ccccc2F)nc1SCC(=O)O 12375678 OFMWILJIAPLFCF-UHFFFAOYSA-N 288.303 2.936 30 40 CFEB COc1ccc(-c2c(C)c(C)[nH]c(=O)c2C#N)cc1 16249031 DLLGCRYHHMALMU-UHFFFAOYSA-N 254.289 2.539 30 40 CFEB C=CCN(C(=O)c1ccc2c(c1)nnn2C)c1ccccc1 807321 UKXHEJSATDNCDF-UHFFFAOYSA-N 292.342 2.801 30 40 CFEB C=C(C(=O)OC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)C(C)(F)F 103548352 ZVASJEUBGVEDCR-ASNHAOSHSA-N 286.318 2.825 30 40 CFEB C=CCNC(=O)CSc1nc2cc(Cl)ccc2n1C 44050031 FPYCPBDSYMTEKO-UHFFFAOYSA-N 295.795 2.621 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(CC)cc2)C1=O 13895157 ZDBVCCLULQKRKW-RAXLEYEMSA-N 271.341 2.919 30 40 CFEB COc1cccc(/C=N/Nc2nc3ccccc3o2)c1O 5396297 UOVRDIPDJXJMCT-CXUHLZMHSA-N 283.287 2.988 30 40 CFEB CCN(CCC#N)S(=O)(=O)/C=C/c1ccc(Cl)cc1 69351021 JNNHYVWIZHIYOE-DHZHZOJOSA-N 298.795 2.876 30 40 CFEB CCn1cc(-c2c(C#N)c(N)nc3c2CCCCC3)c(C)n1 19840770 SNRKKASWOFPGEZ-UHFFFAOYSA-N 295.390 2.996 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CSc1cccc(OC)c1 71813647 OWYCYDDWPCKTIQ-LBPRGKRZSA-N 292.404 2.795 30 40 CFEB C=C(Br)CNCc1ccc(NC(C)=O)cc1 78553062 LNUSYEHKFRXWBJ-UHFFFAOYSA-N 283.169 2.643 30 40 CFEB Cn1cc([C@@H](Nc2ccc(C#N)cn2)C(C)(C)C)cn1 95409786 HGMYQZALPUTGSL-CQSZACIVSA-N 269.352 2.886 30 40 CFEB N#Cc1c(N)sc2c1CCN(CCc1cccs1)C2 125124189 ONMVXXQYLYTXEY-UHFFFAOYSA-N 289.429 2.864 30 40 CFEB N#CCC[C@H](C#N)Cn1ccnc1[C@H](O)c1ccc(F)cc1 189438041 BWWBIRGQPCCFOS-IUODEOHRSA-N 298.321 2.547 30 40 CFEB C/C(Nc1ccccc1N)=C1\C(=O)Nc2ccccc2C1=O 227173358 LYLKZPSWCFPNMI-XNTDXEJSSA-N 293.326 2.790 30 40 CFEB CCOC(=O)[C@H](C#N)c1cccc(Br)c1 44197831 CCEBQHOPHOXKJV-SNVBAGLBSA-N 268.110 2.619 30 40 CFEB C[C@@H]1CC(C)(C)C[C@](CO)(NCCCCC#N)C1 96452933 TUDJYRFHRJRBAN-UKRRQHHQSA-N 252.402 2.847 30 40 CFEB Cn1cc(CCNc2cc(C#N)ccc2C(F)(F)F)cn1 97096928 QXOWVIJBELHDCE-UHFFFAOYSA-N 294.280 2.965 30 40 CFEB CCN(C(=O)[C@H]1OCC[C@@H]1C)c1ccc(C#N)c(Cl)c1 91207024 NPJJIXAQXLDUGH-HZMBPMFUSA-N 292.766 2.990 30 40 CFEB C#CCN1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 48963126 VIEFJRQBAGODIA-UHFFFAOYSA-N 290.794 2.932 30 40 CFEB O=C(O)c1cccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 351138 SNNLPWPFSLGUNN-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB C=C(Br)CN(C)CC(=C)Br 31637009 LBJKANBIQPSNGD-UHFFFAOYSA-N 268.980 2.735 30 40 CFEB in-vitro O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc3[nH]ncc3c2)c1 13576476 HPRFFXMAJQULDX-CHHVJCJISA-N 282.259 2.927 30 40 CFEB COc1ccc(/C(=N\O)OC(=O)/C=C/c2ccco2)cc1 14988646 GQQKIWQJNRCFKW-IZCPETMFSA-N 287.271 2.681 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)C1CC(F)(F)C1)C2 1565553740 CZRSBJNCXQTADD-OAHLLOKOSA-N 298.377 2.675 30 40 CFEB C[C@H](C#N)Sc1nncn1CCc1cccs1 40479363 CDQIFPCMQFBNPQ-SECBINFHSA-N 264.379 2.586 30 40 CFEB CC(C)c1ccc(S(=O)(=O)N=C2C=CC(=O)C=C2)cc1 207345 IXOLMBWTLZIWSH-UHFFFAOYSA-N 289.356 2.635 30 40 CFEB CCCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O 1717537 UKKKAEPHIFNBQU-UHFFFAOYSA-N 291.734 2.822 30 40 CFEB Cc1cc(/N=C/c2nc(-c3ccco3)oc2O)no1 481117 HZSSNNRXMOKFHV-AWNIVKPZSA-N 259.221 2.687 30 40 CFEB CCCN1CCC(=NNC(=S)Nc2ccccc2)CC1 55079165 UQTCNIPGJSXWKZ-UHFFFAOYSA-N 290.436 2.835 30 40 CFEB N#CCSc1nc(NC2CC2)c2ccccc2n1 9739958 OPBBFMQFCNFOSD-UHFFFAOYSA-N 256.334 2.820 30 40 CFEB COc1cccc(SCC(=O)NC2(C#N)CCCC2)c1 27661643 XFGGBKOMEKTHMK-UHFFFAOYSA-N 290.388 2.740 30 40 CFEB C=CCNC(=O)Nc1cc(CSCC)ccn1 96010684 TVZRAOJKNKWGCE-UHFFFAOYSA-N 251.355 2.642 30 40 CFEB CCCC(C#N)(CCC)NC(=O)c1ccncc1F 84740381 FCPPSJYGEPEWME-UHFFFAOYSA-N 263.316 2.813 30 40 CFEB N#CCc1cc(Br)c2c(c1)OCCCO2 95863145 GYRDMAKKMXIUTJ-UHFFFAOYSA-N 268.110 2.676 30 40 CFEB CC(C)(C)[C@H](C#N)NC(=O)Cc1cccc(Cl)c1 75105574 DTRDEQYPQRSSMU-LBPRGKRZSA-N 264.756 2.937 30 40 CFEB Cc1nnc(Oc2cncc(Cl)c2)c(C#N)c1C 75496609 DTZHZIUQBZTOBY-UHFFFAOYSA-N 260.684 2.806 30 40 CFEB COC(=O)CN=C(c1ccc(F)cc1)c1ccc(F)cc1 409282115 GDUYMFVDUMQROC-UHFFFAOYSA-N 289.281 2.975 30 40 CFEB CC(=O)Oc1c(C)cc(Br)cc1C#N 216770363 LBFQJDKWOWIZBX-UHFFFAOYSA-N 254.083 2.555 30 40 CFEB N/C(=N/O)c1cn(Cc2ccccc2)c2ccccc12 199549474 OKLPWSCVNWLBQL-UHFFFAOYSA-N 265.316 2.784 30 40 CFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1 18180830 AQWGLGSPKJXOGA-HNNXBMFYSA-N 294.358 2.936 30 40 CFEB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2 4365274 SUHTUPXNWQUHMA-SQWLQELKSA-N 265.421 2.818 30 40 CFEB CC(=O)C/C(C)=N\CCCC/N=C(\C)CC(C)=O 104327384 UDVOETZXBOGXTH-UKVBVZPVSA-N 252.358 2.647 30 40 CFEB N#Cc1cc(F)c(NCCCOC2CCOCC2)c(F)c1 78338570 JEMIULNPPRUKIM-UHFFFAOYSA-N 296.317 2.834 30 40 CFEB CC[C@](C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)[C@@H](C)O 97145296 LCXMNNZSFKMLEK-QMTHXVAHSA-N 277.324 2.675 30 40 CFEB COc1cccc(COCCNc2cccc(C#N)n2)c1 95973729 KHFRSZWSODGLBG-UHFFFAOYSA-N 283.331 2.591 30 40 CFEB N#CCc1ccc(OCCn2cc(-n3cccc3)cn2)cc1 81081198 AUKKTMXYANVIEW-UHFFFAOYSA-N 292.342 2.819 30 40 CFEB Cc1csc(N2CCN(Cc3cccc(C#N)c3)CC2)n1 48008511 XROXPODERZCMKI-UHFFFAOYSA-N 298.415 2.645 30 40 CFEB C=CCN(Cc1cccs1)C(=O)c1cccnc1 58265180 SFBQZNXHAZBIAY-UHFFFAOYSA-N 258.346 2.972 30 40 CFEB C[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1O 97096850 QSKDHPXBVLDEGU-RNCFNFMXSA-N 284.281 2.784 30 40 CFEB CN(C)[C@@H](CNc1ncccc1C#N)c1cccs1 96822499 IYCDHPASVFUZKS-LBPRGKRZSA-N 272.377 2.730 30 40 CFEB Cc1cc(O)c2c(c1)O/C(=C\c1ccncc1)C2=O 11865215 DDYMMRDFSDFKAJ-JYRVWZFOSA-N 253.257 2.712 30 40 CFEB CN(C)c1cc[n+](/C=C/C(=O)c2ccc(F)cc2)cc1 5525044 URWZSUDFTTYAIN-FMIVXFBMSA-N 271.315 2.533 30 40 CFEB C[C@H]1CCc2nc(N)c(C#N)c(-c3cccn3C)c2C1 20479701 TUUINOLHOAIXHZ-JTQLQIEISA-N 266.348 2.666 30 40 CFEB N#CCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 92911 ZGSWJTXAOTYDAE-UHFFFAOYSA-N 255.233 2.848 30 40 CFEB CCC(=O)O/N=C(/c1ccccc1)c1cccnc1 1705029 CZDLYNVMEFQFDN-ICFOKQHNSA-N 254.289 2.787 30 40 CFEB CN1CCC(=NNc2nc3ccccc3s2)CC1 6379309 YLMFAGVBUKOUBP-UHFFFAOYSA-N 260.366 2.790 30 40 CFEB CC(C)(C)OC(=O)N[C@@H](C#N)c1ccc(F)cc1 36379861 KQBSNWWWJORUED-NSHDSACASA-N 250.273 2.915 30 40 CFEB COc1cccc(/C=N/OCc2ccccc2)c1O 11101141 IZRRTDAOPVKYTR-MHWRWJLKSA-N 257.289 2.952 30 40 CFEB CCOCCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 48520509 LMTWJHVWWBYJCY-LLVKDONJSA-N 271.320 2.556 30 40 CFEB CCCCNC(=S)N(C)/N=C/c1ccc(C)o1 6558481 HVESOSSCEJWYBB-NTEUORMPSA-N 253.371 2.528 30 40 CFEB N#Cc1c(F)cccc1N[C@H](CO)c1ccccc1 69737502 NFOOQYOGRGSDDH-OAHLLOKOSA-N 256.280 2.843 30 40 CFEB CCc1nnc(S)n1/N=C/c1c(C)[nH]c2ccccc12 7864478 KOSCPEFTHZAGFE-OVCLIPMQSA-N 285.376 2.801 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CNc1cccc(C)c1C 84765684 ZGBAWEZPLIAEMM-GFCCVEGCSA-N 273.380 2.724 30 40 CFEB Cc1oc(/N=C/c2ccc(OCC(=O)O)cc2)c(C#N)c1C 408948129 BYZMTDFDXPEJGD-QGMBQPNBSA-N 298.298 2.982 30 40 CFEB Cc1cc(C)n(/N=C\c2c[nH]c3ccccc23)c(=O)c1C#N 73379233 WYQJXICDHKGDMK-JMIUGGIZSA-N 290.326 2.700 30 40 CFEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1ccccc1O2 40545998 XBTWDLDKBFSFGD-HNNXBMFYSA-N 257.289 2.984 30 40 CFEB CCc1cnc(CCNC(=O)c2ccc(C#N)cc2)s1 96431779 XRSBSMYXLZDYJL-UHFFFAOYSA-N 285.372 2.550 30 40 CFEB Cc1sc(NC(=S)NC(=O)C(C)C)c(C#N)c1C 14257836 XOTJRSQXQATQMQ-UHFFFAOYSA-N 281.406 2.706 30 40 CFEB CC(=O)/C(=C\C=C\c1ccccc1)C(=O)CCN(C)C 16940092 XZEKQJUFHQLGSM-RWZRJOGJSA-N 271.360 2.736 30 40 CFEB COc1ccc(NC(=O)C2(C#N)CCCCC2)cn1 44385366 JCJYJDIDRJCUCM-UHFFFAOYSA-N 259.309 2.503 30 40 CFEB CCc1nc(NC[C@@H]2CCCO2)c(C#N)c2c1CCCC2 20590628 FCTFRIQMLDBZCL-LBPRGKRZSA-N 285.391 2.985 30 40 CFEB COC1(NC(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C 198729 CZRYJUHDOOOAHA-UHFFFAOYSA-N 285.343 2.543 30 40 CFEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC#N)C2 4480742 SUHTUPXNWQUHMA-OFQRWUPVSA-N 265.421 2.818 30 40 CFEB N#Cc1ccc(N2CCC(Cn3cccn3)CC2)cc1 105794583 LUVUMVLNYSNQMV-UHFFFAOYSA-N 266.348 2.671 30 40 CFEB CCOCCC/C(O)=N/S(=O)(=O)c1ccc(C)c(C)c1 48474604 NWZZSOORVKWTFE-UHFFFAOYSA-N 299.392 2.765 30 40 CFEB COC(=O)c1ccc(N/C=C2\CCCCC2=O)cc1 409179866 OSPZAFVSRPFHPF-ZRDIBKRKSA-N 259.305 2.912 30 40 CFEB C=CCOc1ccc(Br)cc1/C=[N+](\C)[O-] 5184773 FTBXOECOOWBYBL-MDWZMJQESA-N 270.126 2.573 30 40 CFEB C#CCOc1ccc(F)cc1NC(=O)N(CC)CC 96435302 FJYLNSQDWXQBQR-UHFFFAOYSA-N 264.300 2.711 30 40 CFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(O)cc1 6672171 AMNLBPOVUDOELF-GZTJUZNOSA-N 256.309 2.635 30 40 CFEB Cc1ccc(CCOC(=O)c2ccc(C#N)cn2)cc1 71910317 RPJKEUGIBIENNA-UHFFFAOYSA-N 266.300 2.661 30 40 CFEB C/N=C(/NCCC(C)C)N1CCC(OC(C)(C)C)CC1 97229981 UQPRWEHFEJGOMH-UHFFFAOYSA-N 283.460 2.887 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(c1cccnc1)C2 96077105 MQPHYFIHZTWKRX-KRWDZBQOSA-N 285.391 2.619 30 40 CFEB CC[C@@H](SC)C(=O)Nc1ccc(F)c(C#N)c1 96483238 WVXQAEFRAMEXNT-LLVKDONJSA-N 252.314 2.777 30 40 CFEB CC(=O)N(C)Cc1cccc(Nc2ncccc2C#N)c1 96452859 LJAXFRFXACSVEL-UHFFFAOYSA-N 280.331 2.675 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccccn1)C2 96050012 UEDBFHBZGRFCGY-GOSISDBHSA-N 299.418 2.615 30 40 CFEB C=CCOC1C[C@H]2COC[C@@H](C1)N2Cc1cccc(C)c1 96252507 DCTYROAEIADVEB-JWTNVVGKSA-N 287.403 2.929 30 40 CFEB N#C[C@@H](C(=O)c1noc2c1CCCCC2)c1ccccn1 97103237 QLXPLNHKLHZEEY-GFCCVEGCSA-N 281.315 2.829 30 40 CFEB Cc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 228756048 XONBUNTVWKJWBX-UHFFFAOYSA-N 252.550 2.948 30 40 CFEB CC(/C=C/c1ccc(Cl)cc1)=N/NC(N)=S 17142564 COWAKOZXZREIGT-KBEAGGLJSA-N 253.758 2.562 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)C=C/C1=N\O 5492856 DZFUMKYXWIWTMJ-OIQCQGBYSA-N 261.321 2.681 30 40 CFEB CC1=CC(=O)/C(=C(\C)Nc2ccccc2C)C(=O)O1 103438074 WVMOICLBSQFKBS-KAMYIIQDSA-N 257.289 2.711 30 40 CFEB N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(F)cc1 103504169 KDLPRACOXDHRQH-CQSZACIVSA-N 282.274 2.787 30 40 CFEB C=Cn1cc[n+](CC(=O)c2ccc(Br)s2)c1 1816963 FEIQWZAECRFKOK-UHFFFAOYSA-N 298.185 2.583 30 40 CFEB CN(C)/C(N)=N/CC1(c2ccccc2Cl)CCC1 119398694 XDXMVTOGHDPEBE-UHFFFAOYSA-N 265.788 2.638 30 40 CFEB C#CCOc1ccc(NC(=O)COC2CCCC2)cc1 78668012 JIQBQGBTHJUEKM-UHFFFAOYSA-N 273.332 2.596 30 40 CFEB Cc1nn(Cc2ccc(OC(C)C)cc2)c(=O)c(C#N)c1C 58355513 WRHSZHCEELCSLR-UHFFFAOYSA-N 297.358 2.567 30 40 CFEB C=CCn1cnnc1SCc1occc1C(=O)OCC 58308027 SDQQVUMRUDUDGP-UHFFFAOYSA-N 293.348 2.526 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CCCc2ccccc21 3437140 SCSWGAQBGOFVJF-UHFFFAOYSA-N 292.338 2.916 30 40 CFEB C=CCN(C(=O)c1ccc2nnc(C)n2c1)C1CCCC1 69420165 YAULKQZVBXENSB-UHFFFAOYSA-N 284.363 2.609 30 40 CFEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)[nH]c1=O 13396027 HKJBZVGQPULVPE-UHFFFAOYSA-N 254.167 2.525 30 40 CFEB COc1ccc(OC)c(C(=O)/C=C\c2cnn(C)c2C)c1 6527511 ZHIGQJLDZOCYFA-ALCCZGGFSA-N 286.331 2.642 30 40 CFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccco1 8197327 PWWQYGGDRHPHDD-GFCCVEGCSA-N 283.331 2.610 30 40 CFEB C=CCNC(=O)[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 97141073 YRLBHJGOFOZELK-GHMZBOCLSA-N 281.425 2.608 30 40 CFEB C[C@@H]1CN(Cc2cc(C#N)cs2)C(C)(C)CO1 97376905 UPPJSEFAQHPSKM-SNVBAGLBSA-N 250.367 2.619 30 40 CFEB N#C[C@@H](NC(=O)c1cccnc1Cl)c1ccsc1 95396485 ZABRTPSPMLAIGR-SNVBAGLBSA-N 277.736 2.791 30 40 CFEB C=CCCC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639859 CTRHGANYFFVWGQ-LBPRGKRZSA-N 287.281 2.821 30 40 CFEB CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C#N 225812515 IIOISLIDEIVAJH-MRXNPFEDSA-N 288.347 2.711 30 40 CFEB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c(C#N)c1 225793536 ZRSNPNOPKLXZKA-INIZCTEOSA-N 290.363 2.957 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(C)o1 248063486 DPUXKWUMMYIOCL-XIRDDKMYSA-N 291.391 2.770 30 40 CFEB COC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 1565661198 FEVNQDFTNVKODG-UHFFFAOYSA-N 290.106 2.940 30 40 CFEB CC(C)Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 206204357 AZAREMMWZVSHLP-UHFFFAOYSA-N 297.591 2.821 30 40 CFEB COc1ccc([N+](=O)[O-])cc1/N=C1\C(=O)Nc2ccccc21 12371071 QGSOIAQJFJSEGM-UHFFFAOYSA-N 297.270 2.676 30 40 CFEB CC1=NN/C(=N\OC(=O)NC2CCCCC2)C(C)(C)C1 26330893 XMLZHKHNCAKQCE-UHFFFAOYSA-N 280.372 2.754 30 40 CFEB Cc1ccc(C(=O)c2cc3c(cc2C#N)OCCO3)cc1 9028672 XPPJEQLRVUJQAK-UHFFFAOYSA-N 279.295 2.869 30 40 CFEB CN(Cc1ccc(Br)o1)c1ncccc1C#N 40091235 SCHZICKHGRIMFI-UHFFFAOYSA-N 292.136 2.945 30 40 CFEB C#CCOc1ccc(Cl)cc1/C=C1/C(=O)ON=C1C 100815535 QQKPNQURTDDIIY-XYOKQWHBSA-N 275.691 2.668 30 40 CFEB S=C(NCc1ccco1)N/N=C/c1ccccc1Cl 350984 ONNCKCNGNXVFNJ-LZYBPNLTSA-N 293.779 2.931 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1F 32796568 PHZDTVIZPDIGDF-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB C[C@@H]1CN(C)[C@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] 4866603 UQBBTDSGUQJIBT-BJHMQSSRSA-N 277.324 2.690 30 40 CFEB CN(CCC#N)C(=O)CCSc1ccccc1F 34652603 QSSDVVQDYOOGME-UHFFFAOYSA-N 266.341 2.680 30 40 CFEB C=C(C)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 48366626 JTSOIENICMCGJS-GFCCVEGCSA-N 267.394 2.659 30 40 CFEB CN(CC1CCCCC1)S(=O)(=O)c1cccc(C#N)c1 12949821 RLADXSVVFGZGTO-UHFFFAOYSA-N 292.404 2.759 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccco1)O2 5047793 ITTQFJCZHZMAHO-JYRVWZFOSA-N 270.240 2.682 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1OC 4817011 RTOSUOQMQIYFHU-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB N#CCCN(CCC(F)(F)F)C(=O)c1cccc(C#N)c1 96461665 ACHQHIOZBOJAOQ-UHFFFAOYSA-N 295.264 2.867 30 40 CFEB N#Cc1cc(F)c(N[C@@H]2c3ccccc3C[C@@H]2O)c(F)c1 91430498 WXICYLBNYUCLRN-LSDHHAIUSA-N 286.281 2.907 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1cccnc1)C2 96050014 AGBNDJRYSVNUAR-GOSISDBHSA-N 299.418 2.615 30 40 CFEB O=C1CCCC2=C1C(c1ccncc1)C1=C(CCCC1=O)N2 19596602 RTDZLDUETLLVDZ-UHFFFAOYSA-N 294.354 2.783 30 40 CFEB O=C(O)/C=C/c1cccc(/N=C/c2cccnc2)c1 4600528 YWEISVUZBAJSNN-PRGDFHQISA-N 252.273 2.930 30 40 CFEB C#Cc1cccc(NC(=O)/C=C/c2cscn2)c1 50298095 WKXFHGUDQOSQJY-VOTSOKGWSA-N 254.314 2.776 30 40 CFEB C=CCN/C=C1/Sc2ccc(OCC)cc2C1=O 100233024 RHOVKWMXEJLGPR-UKTHLTGXSA-N 261.346 2.991 30 40 CFEB C=C(C)CSc1nnc(NC[C@@H]2CCCO2)s1 40473945 UNUPBUKWIMYHOD-VIFPVBQESA-N 271.411 2.797 30 40 CFEB CCN(CC)/C(N)=N/c1nc(C)c2cc(Cl)ccc2n1 6593945 BHYDPGREZKSONA-UHFFFAOYSA-N 291.786 2.880 30 40 CFEB C=CCn1nnnc1NCc1ccc(-c2ccccc2F)o1 6856451 UVZYHOUILYXILQ-UHFFFAOYSA-N 299.309 2.870 30 40 CFEB Oc1ccc(/C=N/C[C@@H]2OCCc3ccccc32)cc1O 506843 KAYUATZWFDHQMJ-DKFVHQPUSA-N 283.327 2.831 30 40 CFEB CC(C)Cn1nnnc1SCc1ccc(C#N)cc1F 53922755 VNWDGWAHWSQGHK-UHFFFAOYSA-N 291.355 2.632 30 40 CFEB Cc1oc(-c2ccccc2)nc1Cn1cnc(C#N)c1C#N 97050365 JITPFPLEHJRUQQ-UHFFFAOYSA-N 289.298 2.638 30 40 CFEB COc1ccc(/N=C\c2cccc(OCC(=O)O)c2)cc1 409214039 XCJBVGKOKOXRPD-YVLHZVERSA-N 285.299 2.909 30 40 CFEB C=C(C)CSc1nnc([C@@H](N)Cc2ccccc2)o1 5112120 VGBGVNWVPSZGST-LBPRGKRZSA-N 275.377 2.980 30 40 CFEB N#CC1(C(=O)N2CCC[C@H](n3ccnc3)C2)CCCCC1 69807990 CHNMIBOIWGAZTI-AWEZNQCLSA-N 286.379 2.521 30 40 CFEB COc1cc(C(=O)/C=C/c2c(Cl)cnn2C)ccc1O 6925458 ANISAUNWAXSGMX-GQCTYLIASA-N 292.722 2.684 30 40 CFEB C=C(Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 78989590 FUDCINWJTIXYLJ-UHFFFAOYSA-N 291.694 2.571 30 40 CFEB N#Cc1ccccc1Cn1ccc(-c2cccnc2)n1 216693826 NKIKQCKVISKCGJ-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB CC1(NC(=O)Nc2ncccc2OCCCC#N)CCC1 188748197 RHPJLJINOZVTNI-UHFFFAOYSA-N 288.351 2.828 30 40 CFEB C[C@H](Cc1cccc(Cl)c1)NC(=O)C(C)(C)C#N 49348445 YMPNFXADEIVNHV-SNVBAGLBSA-N 264.756 2.937 30 40 CFEB COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 138209 AKTCDVUQNNUSNC-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB COc1ccc(/N=C2/C(=O)Nc3ccccc32)cc1OC 6533645 GYJXBDCTRXSCPF-UHFFFAOYSA-N 282.299 2.777 30 40 CFEB Oc1ccc(/C=N\Nc2nc3ccccc3o2)cc1 31939375 YVILEAYERGJZRZ-DHDCSXOGSA-N 253.261 2.979 30 40 CFEB O=C(Nc1ccccc1)c1ccccc1OC[C@H]1CO1 180735 OXCXOVVIURMWBM-CYBMUJFWSA-N 269.300 2.717 30 40 CFEB COC(=O)c1cc(CNc2ccc(C#N)cc2)oc1C 12513920 FRDSVWONOLFHTH-UHFFFAOYSA-N 270.288 2.858 30 40 CFEB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSCC#N 47904439 NLCJUKPOQSFNNP-SNVBAGLBSA-N 266.341 2.602 30 40 CFEB N#C[C@@H](C(=O)C[C@@H]1CCCO1)c1nc2ccccc2o1 54736063 IDYZXUXYQDLJCO-QWRGUYRKSA-N 270.288 2.573 30 40 CFEB CCn1cc(C2CCN(c3ncccc3C#N)CC2)cn1 65462389 QSZQUQYFDAJKNO-UHFFFAOYSA-N 281.363 2.554 30 40 CFEB CCCc1nnc(S)n1/N=C/c1ccccc1C 5686295 SVCAVZOMQZDGQM-NTEUORMPSA-N 260.366 2.710 30 40 CFEB C=CCNc1nnc(SCCCCOC(C)=O)s1 68276098 RDODXVLUPRFMGX-UHFFFAOYSA-N 287.410 2.571 30 40 CFEB CCc1n[nH]c(=S)n1/N=C(/C)c1ccc([N+](=O)[O-])cc1 94996974 PYXUWXXQNICFAJ-NVNXTCNLSA-N 291.336 2.684 30 40 CFEB C#CCOCCC(=O)Nc1cnccc1-c1cccc(F)c1 95439775 HBAFESPLPIGBAV-UHFFFAOYSA-N 298.317 2.866 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)Nc2cccnc2Cl)n1 89705281 FSMKKGYUZJJWJQ-QMMMGPOBSA-N 292.751 2.746 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1CCCCC1 96042045 HMFKLGPOKZZONU-HRCADAONSA-N 293.407 2.528 30 40 CFEB CC(C)CN1C(=O)/C(=N/NC(C)(C)C)c2ccccc21 102188938 PUNFMZAUOIKHGW-SAPNQHFASA-N 273.380 2.781 30 40 CFEB N#Cc1ccc(F)c(COC(=O)c2n[nH]c3ccccc23)c1 11205268 YJUUBUCCNHGQHA-UHFFFAOYSA-N 295.273 2.931 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1 9885301 SFRRBFJXTGDPAV-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB CCOCNc1sc2c(c1C#N)CC(C)(C)OC2 20100210 OARVNVCQXYXZLQ-UHFFFAOYSA-N 266.366 2.877 30 40 CFEB C[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](C)(C)C 100757760 MTKDXEQLJAGGHQ-RSUWNVLCSA-N 268.421 2.839 30 40 CFEB biogenic C=CCNC(=O)COc1ccc(C2SCCS2)cc1 32707984 DMTXIVYFMNLMSL-UHFFFAOYSA-N 295.429 2.846 30 40 CFEB Cc1ccc(N/N=C2\C(=O)Nc3ccc(F)cc32)cc1 100380601 KHSRKYSSOSUIDA-UHFFFAOYSA-N 269.279 2.902 30 40 CFEB CCOC(=O)N/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100364349 APACOMOGYGDSLN-ITFPVUFJSA-N 251.326 2.642 30 40 CFEB CC1(C)CC(=O)C(=Cc2ccc3c(c2)OCCO3)C(=O)C1 3218688 JMWHZQWNOHXJGE-UHFFFAOYSA-N 286.327 2.799 30 40 CFEB N#C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 26822022 UICMCANVSAQMRW-IBGZPJMESA-N 291.398 2.897 30 40 CFEB N#Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 45408957 ASDWDUXXZHETBV-UHFFFAOYSA-N 291.310 2.558 30 40 CFEB C/C(=N\N/C(S)=N\C(C)C)c1cccc([N+](=O)[O-])c1 8774475 XEGZLDZJYDKMMD-NTEUORMPSA-N 280.353 2.603 30 40 CFEB N#CCNC(=O)CSCc1cccc2ccccc12 69740045 FHDIBLRKALTTSV-UHFFFAOYSA-N 270.357 2.713 30 40 CFEB Cc1nc([C@H](C#N)NC(=O)OC(C)(C)C)cs1 95347616 BWQMKHDXHWTISG-QMMMGPOBSA-N 253.327 2.541 30 40 CFEB in-vitro C=C(C)CN1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 95422061 CVRUSGOQVKGAGJ-HNNXBMFYSA-N 280.456 2.963 30 40 CFEB Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(F)c1 408912352 FJKLMNBQWYYSPD-UFWORHAWSA-N 283.310 2.707 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)c1ccc(F)cc1F 73838485 QMIVUGWTBIIHME-UHFFFAOYSA-N 291.319 2.788 30 40 CFEB C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc(C#N)nc1 192653194 UKWQDBKFWHSGSS-DYVFJYSZSA-N 279.343 2.920 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)cc1 256048329 SGJKJLVLMFUZFK-UHFFFAOYSA-N 281.363 2.684 30 40 CFEB Cc1sc(N=C(N)N)nc1-c1ccc(Cl)cc1 58666729 SQYPJKVWCFAYBP-UHFFFAOYSA-N 266.757 2.677 30 40 CFEB CCOP(=O)(OCC)[C@H](C#N)Cc1ccco1 5838941 BUAJNNUBCLUMGD-NSHDSACASA-N 257.226 2.980 30 40 CFEB C[C@H](C#N)Sc1ncnc2c1cnn2-c1ccccc1 4601778 FTQOCZQXYJBMEY-SNVBAGLBSA-N 281.344 2.820 30 40 CFEB Cc1nnc(N2CCC(C#N)(c3ccccc3)CC2)s1 1888901002 CHFAZCGUYYFZQV-UHFFFAOYSA-N 284.388 2.908 30 40 CFEB N#CC1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 268201329 UBZSFELVAPGLER-UHFFFAOYSA-N 266.703 2.855 30 40 CFEB N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 4176908 QWFBHEKFZVJDMU-UHFFFAOYSA-N 273.273 2.780 30 40 CFEB CC1(C)CC(=O)C=C(NC[C@@H]2NCCc3ccccc32)C1 20528365 VHRUBPNOERRMGC-KRWDZBQOSA-N 284.403 2.736 30 40 CFEB C=CCSc1ccccc1NC(=O)c1cnn(C)c1 32768698 HWMDHNPAXQAJCZ-UHFFFAOYSA-N 273.361 2.951 30 40 CFEB CCO/N=C(/N)c1ccc(Oc2ccc(F)cc2)nc1 78726156 GCEDMPRNBPRUOH-UHFFFAOYSA-N 275.283 2.670 30 40 CFEB O=C(C[n+]1cccc(Br)c1)c1cccs1 4832863 FWYAUDYUXDRQSA-UHFFFAOYSA-N 283.170 2.681 30 40 CFEB O=[N+]([O-])c1ccc(C(=NO)c2ccc([N+](=O)[O-])cc2)cc1 1555686 CVHLUJIWPYFHCJ-UHFFFAOYSA-N 287.231 2.730 30 40 CFEB O=C1C=C/C(=N/c2ccc3c(c2)[C@H](O)c2ccccc2-3)O1 104261236 IAGINSVVPKZABO-KCGBVJQISA-N 277.279 2.892 30 40 CFEB C#CCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 15922085 XWWDIDYLFDLOLE-GFCCVEGCSA-N 293.326 2.754 30 40 CFEB CC[C@H](c1ccccc1)S(=O)(=O)CCCC#N 97164114 CDVKXPSVFDWKTN-CYBMUJFWSA-N 251.351 2.856 30 40 CFEB C/C=C/C=C\C(=O)CC[C@@]1(C)OC(=O)C(C)=C1O 31771788 GQFGVUPBODCMSV-XMYMHAQBSA-N 250.294 2.616 30 40 CFEB Cc1nc2ccccc2n1CC1CCN(CC#N)CC1 38488542 RYHDPYBMDTTXAI-UHFFFAOYSA-N 268.364 2.580 30 40 CFEB C[C@@H](c1ccccc1)[C@H](C=O)NC(=O)OC(C)(C)C 199828798 PHAYUDMPNKQKSL-AAEUAGOBSA-N 263.337 2.882 30 40 CFEB CCOCCOc1cc(Br)ccc1C#N 98210437 FFJKHOZOOWWPSB-UHFFFAOYSA-N 270.126 2.736 30 40 CFEB in-vitro Cc1nn(-c2ccc(C(F)(F)F)cc2)c(N)c1C#N 14985490 CYRNOMCCDRRDKQ-UHFFFAOYSA-N 266.226 2.653 30 40 CFEB CC1=C/C(=N\OC(=O)/C=C/c2ccccc2)C=CC1=O 16779838 XXEJKLRNZQOMDK-FIWBUKDJSA-N 267.284 2.684 30 40 CFEB COC[C@@H](C)/N=C1\SCCN1Cc1ccccc1 101278629 ALBGQULQSITNEQ-DKASORFFSA-N 264.394 2.626 30 40 CFEB CN(/C=C1\Oc2cc(O)ccc2C1=O)Cc1ccccc1 12442686 GQTOUFNCASIXMZ-WJDWOHSUSA-N 281.311 2.941 30 40 CFEB biogenic CC(C)(CO)/N=C\c1ccccc1Br 100523462 VSRIKFWTXYFKAT-QPEQYQDCSA-N 256.143 2.639 30 40 CFEB Nc1c(Cl)ncnc1N/N=C/c1ccc2ccccc2n1 100562382 XCUYWYTVCBQNIE-FBCYGCLPSA-N 298.737 2.706 30 40 CFEB CCn1c(=O)c(/C=N/c2cccnc2)c(O)c2ccccc21 100192870 WQXQTSRXGPWIOS-YBFXNURJSA-N 293.326 2.873 30 40 CFEB N#Cc1ccc(CSc2nnc3ccccn23)cc1 3344952 HRGQOCOLLPDXDV-UHFFFAOYSA-N 266.329 2.893 30 40 CFEB Cc1ccc(NC(=O)/C=C/c2cccc(C#N)c2)nc1 48696791 QZKYLNKFLZJZBQ-SOFGYWHQSA-N 263.300 2.914 30 40 CFEB CCSc1c(/C=N/NC)nc(-c2ccccc2)n1C 4002498 RTSQJMPZCMTLGX-MHWRWJLKSA-N 274.393 2.752 30 40 CFEB C#CCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 69509786 SHZLCGUNWSVZHA-UHFFFAOYSA-N 269.266 2.732 30 40 CFEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 7309011 CODPIEOTCWQMBQ-SNVBAGLBSA-N 292.385 2.659 30 40 CFEB N/C(=N/OCc1ccc(-n2cccn2)cc1)c1ccsc1 95348844 KEUFERADZCJZIU-UHFFFAOYSA-N 298.371 2.771 30 40 CFEB C#CCOc1cccc(NC(=O)CCCn2ccnc2C)c1 71888334 KRSIJUGYKRVZAG-UHFFFAOYSA-N 297.358 2.622 30 40 CFEB Cc1ccccc1[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1 71909371 WTQWJAVDQSOZNS-OAHLLOKOSA-N 299.418 2.593 30 40 CFEB NC(N)=N/N=C1\CCCC[C@@H]1c1nccc2ccccc12 33550487 MQAGXUITJLTXPO-XXACCHKKSA-N 281.363 2.522 30 40 CFEB CC(C)Cn1c(C#N)cc(N)c1N1CCC[C@@H](C)C1 225865729 DGBDANPKGNZPOY-GFCCVEGCSA-N 260.385 2.834 30 40 CFEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCOCC1 96346536 QFDQBGDJUXOQFL-UONOGXRCSA-N 295.342 2.654 30 40 CFEB C#CC[C@@H](OC(=O)c1cncc(Br)c1)C1CC1 96456373 HVBZOGAYVKCNKK-GFCCVEGCSA-N 294.148 2.803 30 40 CFEB C=CCN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257240511 HTUVQNYRPRPVDS-OAHLLOKOSA-N 270.376 2.845 30 40 CFEB CCCn1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1 256054568 WVVBHFHCQIOHEK-NSIKDUERSA-N 270.288 2.615 30 40 CFEB C/C=C\C=C\C(=O)CC[C@@]1(C)OC(=O)C(C)=C1O 17139934 GQFGVUPBODCMSV-CSCQXIRYSA-N 250.294 2.616 30 40 CFEB NCCC(=O)[C@@H]1Cc2ccccc2C#Cc2ccccc21 642881675 UVYNBLZWRMXNTO-GOSISDBHSA-N 275.351 2.644 30 40 CFEB C[C@H]1CCc2c(sc(NC(=O)c3ccno3)c2C#N)C1 10253917 ITFKFAABBCZLLF-QMMMGPOBSA-N 287.344 2.985 30 40 CFEB CC(C)=NN1C(=O)c2cccc3cccc(c23)C1=O 33222 NHEGKJMPAOBJSJ-UHFFFAOYSA-N 252.273 2.832 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1CO 78665955 DBCSYCDFEOPKOG-WDEREUQCSA-N 299.296 2.935 30 40 CFEB N#Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 424116 HHESVRFHNQOUMF-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB CCc1ccc(/C=N/NS(=O)(=O)c2ccccc2)s1 2739759 LRSRHNQDUZBLLD-GXDHUFHOSA-N 294.401 2.623 30 40 CFEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NC1CC1 544594 RHYIBIKZADHCBC-UHFFFAOYSA-N 270.248 2.696 30 40 CFEB N#Cc1c(F)cccc1NCc1ccc(-n2ccnc2)nc1 22136166 VFGLQIPNQUXRBK-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB N#Cc1c(F)cccc1N[C@@H]1CCCN(c2ncccn2)C1 44976660 KQIAXBLNOOXOEV-GFCCVEGCSA-N 297.337 2.568 30 40 CFEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccncc1 17206915 JHXWAGOCHJKHCN-RAXLEYEMSA-N 281.340 2.973 30 40 CFEB Cc1ccc(C[C@H](C#N)Sc2nnc(N)s2)cc1 7414870 QCDQYSCPDIEMMX-SNVBAGLBSA-N 276.390 2.656 30 40 CFEB Cc1ccc(CCC(=O)N(C)[C@H](C)CC#N)c(C)c1 71799975 ZRDVNIXZZXOFEJ-CQSZACIVSA-N 258.365 2.997 30 40 CFEB N#Cc1nccnc1N1CCCC2(CCCCC2)C1 71894600 YIADTFCUWOMERL-UHFFFAOYSA-N 256.353 2.899 30 40 CFEB COc1ccccc1OCc1ccccc1C(=O)NCC#N 97233158 ZJTKZDVHIVNFEL-UHFFFAOYSA-N 296.326 2.528 30 40 CFEB C=C(C)CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1 27532694 ZVZGRTKWZPXBGV-UHFFFAOYSA-N 288.372 2.735 30 40 CFEB Cc1n[nH]c2ncc(NCc3cccc(C#N)c3)cc12 189343082 RAXRBPNUWHOEOU-UHFFFAOYSA-N 263.304 2.750 30 40 CFEB C=CCNS(=O)(=O)c1cc(C(C)C)ccc1C 41091873 GFGHGVWWXAVKHM-UHFFFAOYSA-N 253.367 2.583 30 40 CFEB Cc1ccc(C(=O)N(CCC#N)CCC(F)(F)F)cn1 96461666 BSVKENVZTJIAJN-UHFFFAOYSA-N 285.269 2.698 30 40 CFEB C[C@H](c1ccsc1)N1CCN(CCCC#N)CC1 97378926 UYGWJOHQFJBBOE-CYBMUJFWSA-N 263.410 2.730 30 40 CFEB CN(CCC#N)c1cc(Br)ccc1F 95915603 GTPKJGPGZLFMJV-UHFFFAOYSA-N 257.106 2.938 30 40 CFEB O=C(/C=C\c1ccc2c(c1)CCO2)c1ccccn1 33374283 RCOAVSHISUATIJ-XQRVVYSFSA-N 251.285 2.913 30 40 CFEB N#Cc1ccc(F)c(CSc2cccc[n+]2[O-])c1 11205628 IUXLIDWFOTXBSL-UHFFFAOYSA-N 260.293 2.623 30 40 CFEB C#Cc1cccc(NCC(=O)NCc2ccc(F)cc2)c1 29965483 VGZBDWCHGUFQON-UHFFFAOYSA-N 282.318 2.535 30 40 CFEB CN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1C#N 6250511 CXQFGDJZHOWEOM-UHFFFAOYSA-N 282.303 2.540 30 40 CFEB CC[C@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1 40357360 XJJYKOQTGKAZBG-CYBMUJFWSA-N 250.729 2.691 30 40 CFEB N#Cc1ccc(-c2ccc(OC[C@H]3CNC(=O)O3)cc2)cc1 268989 JUTGEQSSNQKFHI-MRXNPFEDSA-N 294.310 2.712 30 40 CFEB COc1cc(C)sc1C(=O)OCC1(CC#N)CC1 76091090 VZWRSNTVJTUKMV-UHFFFAOYSA-N 265.334 2.916 30 40 CFEB COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1OC 6212046 KOWZFMKYMDQPGJ-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB CC1(C)C[C@H]2C[C@@](C)(C1)N2C(=O)C1=CCC(=O)C=C1 104479444 MMYATHWQUFIAJR-LRDDRELGSA-N 259.349 2.621 30 40 CFEB C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1cccc(C#N)c1 104224903 MYYGJCNOYOREDY-APYUEPQZSA-N 266.344 2.948 30 40 CFEB Cc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1C 3348270 WABPJBZQXXIGSA-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB O=C1C(Cl)=C(Cl)[C@@H]2[C@H]1[C@H]1C=C(Cl)[C@]2(Cl)C1=O 25540459 RDFNEVSQEPGJFK-MHHKQAHWSA-N 297.952 2.804 30 40 CFEB COc1ccc(C)cc1NC(=O)COc1ccc(C#N)cc1 5701618 LSIWHPLXLLWKJE-UHFFFAOYSA-N 296.326 2.893 30 40 CFEB C[C@H](Sc1nncs1)C(=O)Nc1cccc(C#N)c1 7194658 IZJIRUAKGHMCED-QMMMGPOBSA-N 290.373 2.529 30 40 CFEB N#CC1(NC(=O)C[C@H]2CSCCS2)CCCCCC1 96483790 CBEZLWGJIFRKBV-LBPRGKRZSA-N 298.477 2.958 30 40 CFEB C#CCNC(=O)c1sc(-c2ccsc2)nc1C 84064774 POGQJTDGXPATRK-UHFFFAOYSA-N 262.359 2.543 30 40 CFEB CC(C)(C)[C@](C)(C#N)NC(=O)Cc1ccc(F)cc1 95997547 GCGYQZYXDLQRLW-HNNXBMFYSA-N 262.328 2.813 30 40 CFEB Cc1ccccc1-n1c(C)cc(/C=N\NC(N)=S)c1C 33748410 UQIUYXCHLLPCQN-MFOYZWKCSA-N 286.404 2.570 30 40 CFEB CN(Cc1cc(F)ccc1C#N)[C@@H]1CCSC1 89937650 GSFSLIRTPYVCOC-CYBMUJFWSA-N 250.342 2.635 30 40 CFEB CCOC(=O)/C=N/c1ccc(Br)cc1 95616287 XLVKRRMSLOIGJU-KPKJPENVSA-N 256.099 2.715 30 40 CFEB CCC/N=C/c1c(NCCC)nc2c(C)cccn2c1=O 96517687 WJPNMEHTSMFVKM-GZTJUZNOSA-N 286.379 2.654 30 40 CFEB COc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1F 95096088 UMIYNXZQMNIQFD-LDYMZIIASA-N 280.217 2.853 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccs1 253377021 VSZBKTQLRKUARG-BPUTZDHNSA-N 293.432 2.930 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/N=C/c2nc3ccccc3[nH]2)cc1 12360090 LFUSPFRSTPAIFK-CZCYGEDCSA-N 293.286 2.924 30 40 CFEB Cc1c(/C=N\NC(N)=S)ccc2c1[nH]c1ccccc12 16930549 DKBYVGADNVYFLR-IUXPMGMMSA-N 282.372 2.797 30 40 CFEB C/C=C/C=N/n1c(CCC)nc2ccccc2c1=O 1739088 GRUFOBAOOWKKLV-MKJSCSQASA-N 255.321 2.759 30 40 CFEB CN(CCOc1cccc(C#N)c1)Cc1ccco1 35701929 BBYJRPBCTNXACC-UHFFFAOYSA-N 256.305 2.662 30 40 CFEB C=C(C)c1nc(C#N)c(N/N=C/c2cccc([N+](=O)[O-])c2)o1 27562498 VISFXDUFBHQKHX-LZYBPNLTSA-N 297.274 2.934 30 40 CFEB N#CCN(CC#N)C(=O)c1ccc(-c2ccccc2)cc1 30035 IGVQXMLVFDKHLQ-UHFFFAOYSA-N 275.311 2.843 30 40 CFEB CCOCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 76040544 OTHMMMVZCOHVOQ-UHFFFAOYSA-N 272.226 2.552 30 40 CFEB CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2ccc(F)cn2)cc1 78984841 ONFQVIVPXFPEOZ-CQSZACIVSA-N 297.289 2.669 30 40 CFEB N#CCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 8125804 QWHXJZHRPIMXCA-UHFFFAOYSA-N 294.310 2.776 30 40 CFEB CN/N=C(/C1=NCc2ccccc2N1)c1ccccc1 102595875 QGLMLADHPDNUQR-HMMYKYKNSA-N 264.332 2.634 30 40 CFEB CC1=[N+](CC(=O)c2ccc(C)cc2)CCn2cccc21 1798365 FIGRVLFSSNYZMP-UHFFFAOYSA-N 267.352 2.515 30 40 CFEB C=C[C@H](O)C#CC#C/C=C/[C@H](O)CCCCCCC 1858769 DSVMWGREWREVQQ-XYXDXOEKSA-N 260.377 2.818 30 40 CFEB biogenic,in-vitro C/C(=C/C(=O)c1ccc(Oc2ncccn2)cc1)N(C)C 100251620 MDGRAOKRWCLFBS-QXMHVHEDSA-N 283.331 2.917 30 40 CFEB O=C1CCC(=O)C1=NNc1ccc(SC(F)F)cc1 107894357 FGPKACNZWMNQAY-UHFFFAOYSA-N 284.287 2.701 30 40 CFEB N#CCN(CC#N)C(=O)CCc1ccc2ccccc2c1 69464234 RPGRMVXUBJDGMC-UHFFFAOYSA-N 277.327 2.648 30 40 CFEB C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccccc1C#N 6291342 ZDICZCMMPMUYEO-QWHCGFSZSA-N 298.342 2.785 30 40 CFEB O=c1c(/C=N/c2cc(O)[nH]c(=S)n2)coc2ccccc12 18023629 GPABFBXRSJRYDK-GIDUJCDVSA-N 299.311 2.702 30 40 CFEB C#CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 5721552 OIGRCXTUFHHPIU-VIFPVBQESA-N 253.754 2.570 30 40 CFEB C=CCN1C(=O)S/C(=C/c2cccn2CC)C1=O 409094762 FXJAPCSCYGIZEJ-PKNBQFBNSA-N 262.334 2.730 30 40 CFEB N#CC1(C(=O)N2CCC(OCC3CCCC3)CC2)CCC1 75107389 SCFALVKWQHFHAH-UHFFFAOYSA-N 290.407 2.878 30 40 CFEB N#Cc1cccnc1N[C@@H]1CCCN(c2ccccc2)C1=O 75138768 RYPWLVKNYZFLCS-OAHLLOKOSA-N 292.342 2.561 30 40 CFEB C#CCOc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 89904847 GZRAUPKEYFQKSE-CZUORRHYSA-N 259.349 2.528 30 40 CFEB N#Cc1nc(Cc2cccc3ccccc23)oc1NN 64864565 DUXLPJUAUMWSMK-UHFFFAOYSA-N 264.288 2.576 30 40 CFEB CCNC(=NCc1ccc(Cl)cc1F)NCC 186010119 KNZVOJXEEFVSMS-UHFFFAOYSA-N 257.740 2.554 30 40 CFEB C#CCNC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 43481019 WOESISRFTORKRP-JTQLQIEISA-N 273.361 2.632 30 40 CFEB COc1ccc(OC)c(C#CC2(O)CCCCC2)c1 95632941 LSIVZNKHDGWNHY-UHFFFAOYSA-N 260.333 2.751 30 40 CFEB Cc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1 19096817 FAPTXWPFKJZTQX-UHFFFAOYSA-N 267.332 2.560 30 40 CFEB COc1ccc(C(=O)Nc2ccccc2C#N)cc1 258366 JIMAVGYEBLMJJK-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB Cc1nnc(C)n1/N=C/c1cc2ccccc2nc1Cl 2631809 QQIALJLPGBHYRW-LZYBPNLTSA-N 285.738 2.979 30 40 CFEB N#Cc1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1 32777349 DBRLBLZXQNVRBV-UHFFFAOYSA-N 290.282 2.861 30 40 CFEB Cc1ccc2c(c1)/C(=N/n1ncc3ccccc31)C(=O)N2 3192477 ZFMHWJUPEOQIGZ-UHFFFAOYSA-N 276.299 2.549 30 40 CFEB N#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1 2437152 DIUDIYZBPHIDNP-UHFFFAOYSA-N 283.291 2.505 30 40 CFEB C=CCSc1nnc(NC(=O)c2ccccc2O)s1 8917154 UATDOQYUWHTPKC-UHFFFAOYSA-N 293.373 2.774 30 40 CFEB C#CC(CC)(CC)NC(=O)c1ccc(F)cc1F 5937309 ILDHNUWFYLZSPC-UHFFFAOYSA-N 251.276 2.887 30 40 CFEB CCCn1c(/N=C(\O)c2cnccn2)nc2ccccc21 15980068 HZPUEWJXZVOHCV-UHFFFAOYSA-N 281.319 2.873 30 40 CFEB C=CCNC1=NC(=O)/C(=C\c2ccc(OCC)cc2)S1 96191252 KRNAPNNYVATNRU-JLHYYAGUSA-N 288.372 2.831 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1 9322667 KHYQFNRENSRWFX-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB COC(=O)[C@@H](Sc1ccccn1)c1ccc(C#N)cc1 72295925 DDGNVUPLTIKOSO-AWEZNQCLSA-N 284.340 2.960 30 40 CFEB CCCOC(C)(C)C(=O)Nc1ccc(OC)cc1C#N 225837870 LTOWCACAXXQZSU-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB N#Cc1ccc(CCC(=O)N2CCCCCC2)cc1 40017266 DMDUIWQCFJSWIL-UHFFFAOYSA-N 256.349 2.893 30 40 CFEB Cc1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)oc1C 96416369 KXYOLLIKTDFZJN-UHFFFAOYSA-N 293.330 2.778 30 40 CFEB Cc1ccc(Br)c(-n2nc(C)c(C#N)c2N)c1 604941599 RYKXACHWRZYXRU-UHFFFAOYSA-N 291.152 2.706 30 40 CFEB Cc1ccc(/N=C\c2ccc(OCC(N)=O)cc2)cc1C 18032035 SMVRHKYDZHCVRV-GRSHGNNSSA-N 282.343 2.918 30 40 CFEB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 169800209 BDLGLOJNSUUCHQ-OAHLLOKOSA-N 296.282 2.771 30 40 CFEB COCc1cccc(NC(=O)c2ccc(C#N)cc2)c1 25334883 BQXRFZKLFXGMGB-UHFFFAOYSA-N 266.300 2.957 30 40 CFEB C=CCCC(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 217552212 MPNNDMNVABKFKY-QGZVFWFLSA-N 285.343 2.641 30 40 CFEB COc1cc(-c2ccccn2)nc(/C=N/O)c1SC 5789 NQGMIPUYCWIEAW-OVCLIPMQSA-N 275.333 2.682 30 40 CFEB biogenic Cc1nc(C)c(C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]1 40496376 BZDMPIVCUJKMJM-VOTSOKGWSA-N 274.345 2.653 30 40 CFEB CN(C)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1 100816388 BZJDCMWSDPLXDY-FOWTUZBSSA-N 288.372 2.560 30 40 CFEB C=CCn1c(SC)nnc1-c1ccc(OC)c(OC)c1 39252 KBGPWDACHGOWCS-UHFFFAOYSA-N 291.376 2.870 30 40 CFEB CCN(CCC#N)Cn1ccc(-c2ccc(F)cc2)n1 60381879 NPKSRZFHXUZEKU-UHFFFAOYSA-N 272.327 2.882 30 40 CFEB C=CCn1cnnc1SC[C@H]1CC1(Cl)Cl 32731683 RNJMDTDXQFHRLY-SSDOTTSWSA-N 264.181 2.750 30 40 CFEB O[C@H](C#C[C@@H](O)C1CCCCC1)C1CCCCC1 1683856 XPFSGHNYNKITHN-HZPDHXFCSA-N 250.382 2.872 30 40 CFEB COCCN(C(=O)c1ccoc1C)c1ccc(C#N)cc1 72295968 GNUBAIOWJRODJC-UHFFFAOYSA-N 284.315 2.753 30 40 CFEB Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccc2)o1 103504255 GVNOVZNEGBPSSC-FEAKQIBJSA-N 294.310 2.949 30 40 CFEB CC(C)(C)c1n[nH]c(SC[C@@H](C#N)CCC#N)n1 54866653 HAXQLNQUCALNPX-SECBINFHSA-N 263.370 2.638 30 40 CFEB O=C1CN(Cc2ccccc2)/C(=N\Cc2ccco2)S1 100259280 RKDCAMBUTXTWEP-FOCLMDBBSA-N 286.356 2.911 30 40 CFEB C/C(=N\NC(=S)NC(C)C)c1ccc(Cl)cc1 6376396 VVFBIIPNYSGJKH-OQLLNIDSSA-N 269.801 2.937 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nccnc3c2)c1 4728523 AREVKAHALGCZHB-GIJQJNRQSA-N 294.270 2.994 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)CCn1cccn1 89960222 LZEUDXRFJPZVCC-UHFFFAOYSA-N 297.362 2.605 30 40 CFEB N#Cc1cc(N)c(Br)n1Cc1cccc(F)c1 225889644 ZFXOOFFLRNSMIF-UHFFFAOYSA-N 294.127 2.892 30 40 CFEB C=CCOC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96056384 XFFJJDDZIBPNTN-BZUAXINKSA-N 277.364 2.604 30 40 CFEB CO[C@H]1CCCCC[C@@H]1NC(=O)C1(C#N)CCCC1 96460191 MKIIPDFJQYHTIG-STQMWFEESA-N 264.369 2.534 30 40 CFEB O=C(OCC(F)F)OCC(F)(F)[C@@H](F)C(F)(F)F 169795647 WVTGDHAZAJLIIB-SCSAIBSYSA-N 290.106 2.940 30 40 CFEB Cc1ccc2[nH]c(=O)c(/C=N/c3ccncc3)c(O)c2c1 5490826 FUWCWUARXPIHHD-GIJQJNRQSA-N 279.299 2.688 30 40 CFEB CC(C)c1nncn1CCNc1cccc(F)c1C#N 78968123 VQIOFMXMWXMNGA-UHFFFAOYSA-N 273.315 2.524 30 40 CFEB O=C1C=C/C(=N/OC(=O)c2ccccc2)C2=C1[C@H]1C=C[C@H]2C1 103437161 JXLBTDVXGRZFCH-WCBKCDEZSA-N 291.306 2.841 30 40 CFEB CCCCN(C)Cc1c(C(=O)OCC)sc(N)c1C#N 23991719 VXQWTGCWFGEEIL-UHFFFAOYSA-N 295.408 2.611 30 40 CFEB CC(=O)c1cc(C#N)c(SCC(=O)OC(C)C)nc1C 3176288 RJJSVZQAAWOENW-UHFFFAOYSA-N 292.360 2.508 30 40 CFEB COc1ccc(OC)c([C@@H](C)NC[C@@H](C#N)CCC#N)c1 26715401 SKGHCSPIYMAQDG-CHWSQXEVSA-N 287.363 2.798 30 40 CFEB C=CCN(CC=C)C(=S)NC(=O)/C=C/c1cccs1 2136619 PNKWQOXMUNGMFB-BQYQJAHWSA-N 292.429 2.836 30 40 CFEB N#Cc1ccc(NC2CCN(C3CC3)CC2)c(F)c1 69352183 GLFMHRXLPKDKQP-UHFFFAOYSA-N 259.328 2.736 30 40 CFEB CCOC(=O)[C@H](C)Nc1cccc(OCCCC#N)c1 79354886 PVNHDCYMQCISSQ-LBPRGKRZSA-N 276.336 2.733 30 40 CFEB O=[N+]([O-])c1ccccc1[C@@H](O)C#Cc1ccccc1 71623902 KCDOYZHHWBPJBE-HNNXBMFYSA-N 253.257 2.680 30 40 CFEB Cc1ccc(C)c(/N=C(\N)Nc2ncccc2[N+](=O)[O-])c1 225242603 PPDLIVDZTIUNFY-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C#N 225793194 RBIYANRNVRWOCD-INIZCTEOSA-N 290.363 2.957 30 40 CFEB COc1ccccc1[C@@H](C#N)NC(=O)C1CCCCC1 49866267 URBWUXLOIGXMLB-CQSZACIVSA-N 272.348 2.956 30 40 CFEB CN(/C(N)=N/[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 195559355 RSUZGLUDVZLFBB-QWHCGFSZSA-N 263.772 2.605 30 40 CFEB C[C@H]1[C@@H]2O[C@H]2C[C@@H](C)N1C(=O)OCc1ccccc1 252493101 MZHAAAUPACQECJ-XWUBHJNHSA-N 261.321 2.573 30 40 CFEB CC1(C)OB(c2ccc(F)c(F)c2Cl)OC1(C)C 642814503 JUXNFVAVASGTQB-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB CN(C)/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1 13152340 SCBVCOBSFZUCNV-RQZCQDPDSA-N 284.285 2.819 30 40 CFEB Cc1nc(I)c(C#N)c(C)c1Cl 1772715707 UOUKFMOZDWBEAY-UHFFFAOYSA-N 292.507 2.828 30 40 CFEB CC(=O)Nc1ccc(/C=N/N=C\c2ccco2)cc1 8637414 CYYBEHLODNYMMO-TYVLLQCESA-N 255.277 2.691 30 40 CFEB CC/N=C(/NCC)NCc1ccccc1-n1nc(C)cc1C 97014815 IDNUHXYTDHTTGK-UHFFFAOYSA-N 299.422 2.564 30 40 CFEB Oc1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1 3238744 RYJGLQZZROKXEW-QGOAFFKASA-N 282.343 2.979 30 40 CFEB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 5507704 ZLDHMAKXPZNWFV-NSHDSACASA-N 286.331 2.619 30 40 CFEB Cn1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cn1 6925514 SFDQMVLQIJTRPQ-QPJJXVBHSA-N 278.258 2.918 30 40 CFEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 7308034 GVGIYIRFGGOZQY-LBPRGKRZSA-N 286.356 2.598 30 40 CFEB Cc1nc(C(=O)N[C@H](C#N)c2ccccc2F)cs1 71889069 BRSSBHNAJGYMHF-LLVKDONJSA-N 275.308 2.585 30 40 CFEB Cc1ccn(Cc2cc(-c3cccs3)on2)c(=O)c1C#N 97114952 RSBUDTRQYVQHBS-UHFFFAOYSA-N 297.339 2.793 30 40 CFEB C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](c2ccsc2)O1 84714224 AITOBZXHKMOYGZ-SMDDNHRTSA-N 285.372 2.981 30 40 CFEB Cn1cccc1CN(C(=O)c1cccc(C#N)c1)C1CC1 62018241 QTMIBSBAKYSORC-UHFFFAOYSA-N 279.343 2.702 30 40 CFEB N#Cc1nccnc1Nc1ccc(N2CCSCC2)cc1 78307296 AHZWMCNIHINEJG-UHFFFAOYSA-N 297.387 2.645 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccc(C)nc2)c1 47623889 QLHODTQOTFAHGY-UHFFFAOYSA-N 250.301 2.553 30 40 CFEB N#CCCS(=O)(=O)c1ccc(Cl)cc1Cl 199557035 UKHHDCWAZXPCOE-UHFFFAOYSA-N 264.133 2.681 30 40 CFEB CN(CCOCC1CC1)C(=O)Nc1ccc(F)cc1C#N 88393214 FRTSDCMVQHNUNX-UHFFFAOYSA-N 291.326 2.588 30 40 CFEB COC(=O)[C@@](C)(C#N)Cc1c(F)cccc1Cl 94993272 QIOKAFSCTSBGIE-GFCCVEGCSA-N 255.676 2.724 30 40 CFEB Cc1cc(Br)ccc1CN(C)CC#N 96489836 QNLUJBDFOINKMV-UHFFFAOYSA-N 253.143 2.713 30 40 CFEB N#CCCN(Cc1ccc(Cl)nc1)C1CCOCC1 72665747 ASPOHGLXHWFHCP-UHFFFAOYSA-N 279.771 2.630 30 40 CFEB Cc1ccc(C(=O)/C=C/[n+]2ccccc2N)c(C)c1 5927251 JJDYUAFZTUCFPN-CSKARUKUSA-O 253.325 2.527 30 40 CFEB N#Cc1ccc(NC(=O)NCCc2cccs2)cc1 33634652 MIOYSOXSWXUDOP-UHFFFAOYSA-N 271.345 2.984 30 40 CFEB N#Cc1ccccc1NC(=O)c1coc2ccccc2c1=O 8793549 XJFQYCPOQIMRPT-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB COc1ccc2c3c1OCC[C@@]3(C#N)[C@@H](CC#N)CC2 1721256 NETUQGWBXTYMBR-MLGOLLRUSA-N 268.316 2.715 30 40 CFEB COC(=O)[C@@H](C)CSc1cccc(F)c1C#N 78837302 MBCIWVALTIULQJ-QMMMGPOBSA-N 253.298 2.599 30 40 CFEB C1C[C@@H]2C3(OCCO3)[C@H](C1)C[C@]13CCCC[C@]21O3 2134717 ANWMUIFFJAIOQX-RQJABVFESA-N 250.338 2.631 30 40 CFEB C=C(C)CN(CC)C(=O)[C@@]1(C)CC1(Cl)Cl 42034500 ABHVHVNGLKPSQL-SNVBAGLBSA-N 250.169 2.995 30 40 CFEB Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCCC1 802385 ISTFFSKNBRJAED-UHFFFAOYSA-N 281.359 2.834 30 40 CFEB COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccco1 106464502 VSJOJYBDTXVNGC-VBKFSLOCSA-N 287.271 2.632 30 40 CFEB Oc1ccc(Br)cc1/C=N/N1CCCCC1 3275853 IOYIVXOHGNTERE-NTEUORMPSA-N 283.169 2.975 30 40 CFEB N#C[C@@H](C(=O)COC1CCCC1)c1nc2ccccc2o1 58170932 MXQWVQHHDCODEC-LBPRGKRZSA-N 284.315 2.963 30 40 CFEB N#Cc1ccc(NCc2cccc(N3CCOC3=O)c2)nc1 44972257 UQZUPXXGODUOEX-UHFFFAOYSA-N 294.314 2.522 30 40 CFEB CSc1n[nH]c(/N=C(O)/C=C/c2ccccc2)n1 2562053 FOHNKYHXLLDUFT-BQYQJAHWSA-N 260.322 2.828 30 40 CFEB COc1ccc(/C=N/Nc2ccncc2)cc1OC 6490733 XVELVHTVNSOPLM-MHWRWJLKSA-N 257.293 2.545 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)ccc2O)nc1 4739602 CDWXJSZGBVSYHO-GIDUJCDVSA-N 292.682 2.795 30 40 CFEB N#CCCN(CC1CC1)C(=O)/C=C/c1ccc(F)cc1 69812195 FOECMONVQODMKH-RMKNXTFCSA-N 272.323 2.991 30 40 CFEB C=C(Br)Cn1cc(C#N)c(=O)c2ccccc21 69844418 DKDLBCWQCOPMSB-UHFFFAOYSA-N 289.132 2.782 30 40 CFEB C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1C1CC1 7860902 LPSYQZXPYKWBSU-VIFPVBQESA-N 271.345 2.736 30 40 CFEB CCN(CC)c1ccc(/C=C2\S/C(=N\C)N(C)C2=O)o1 408819393 QPVGFSXKEIUPCK-BXPCSNPTSA-N 293.392 2.658 30 40 CFEB N#Cc1cc(Cn2cnc(C3CCC3)cc2=O)ccc1F 89704706 WOZXXKOAYHSZMM-UHFFFAOYSA-N 283.306 2.570 30 40 CFEB COc1ccc(C#CC2(O)CCCCC2)cc1OC 95631923 VODKYWICJWLOHI-UHFFFAOYSA-N 260.333 2.751 30 40 CFEB COC(=O)c1occc1/C=C/C(=O)c1ccc(C)o1 40018087 SHJPSAHFHMNCOY-SNAWJCMRSA-N 260.245 2.864 30 40 CFEB COCc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 40074599 FSXYCGBJSXEFTB-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB COc1ccc([C@@H](CNc2ccc(C#N)cn2)N(C)C)cc1 40480076 VFYFGCFCMFNCKJ-MRXNPFEDSA-N 296.374 2.677 30 40 CFEB Cc1ccc(C(=O)n2c(C)c(C)c(C)c(C#N)c2=O)cc1 480240 ARFHMSPYGXOONQ-UHFFFAOYSA-N 280.327 2.642 30 40 CFEB Cc1cc(C)n(/N=C/c2ccccc2OC(F)F)c(=O)c1 2790186 ZSRJQTXUKKTNNV-GIJQJNRQSA-N 292.285 2.949 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1cccc(F)c1 100642457 LHSKJILKUUVNPV-LCYFTJDESA-N 283.258 2.923 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3[C@H]4CC[C@@H]4[C@H]23)cc1 101046581 PWROZVJTPAXOPA-RMEBNNNOSA-N 278.373 2.745 30 40 CFEB N#Cc1ccc(/C=C/C(=O)Nn2cnc3ccccc32)cc1 27040203 UEDMBZLNDOCYMD-MDZDMXLPSA-N 288.310 2.691 30 40 CFEB COc1ccc([C@](C#N)(CC#N)CCC#N)cc1OC 2273557 VLPRILZJMRMHHT-HNNXBMFYSA-N 269.304 2.683 30 40 CFEB Cc1ccccc1CSc1ncc(C#N)c(N)n1 3958175 PVYVMHGLQZBYJC-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB CCC(C)(C)C1CCC(=NNc2nc(=O)c(C)n[nH]2)CC1 8044849 QGXFXSSLYIYYJB-UHFFFAOYSA-N 291.399 2.868 30 40 CFEB N#CCNC(=O)CNc1ccccc1Oc1cccc(F)c1 72312466 WQDBXCLQGGVKOH-UHFFFAOYSA-N 299.305 2.670 30 40 CFEB N#C[C@@H]1CC[C@H](OC(=O)Cc2ccc(F)c(F)c2)C1 89768317 DMWXBPFYQVLAMA-MNOVXSKESA-N 265.259 2.743 30 40 CFEB C=CCNC(=O)c1ccc2c(c1)nc(Cl)n2CC 222539760 UHHOGTCQSLCPAF-UHFFFAOYSA-N 263.728 2.625 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1occc1C)C2 96071433 WXWPPQAKMVESCA-QGZVFWFLSA-N 288.391 2.845 30 40 CFEB C=C(Br)CN(C)[C@H](C)c1cccnc1 96485802 PDKLWGQUZNGAHP-SNVBAGLBSA-N 255.159 2.983 30 40 CFEB N#Cc1cnn(CC(F)(F)C(F)(F)C(F)(F)F)c1 95094014 HNGUVQJNJIXJIW-UHFFFAOYSA-N 275.127 2.588 30 40 CFEB C=C[C@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 96494732 DXUFBSHRQJROCJ-QMMMGPOBSA-N 272.270 2.820 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1CC=CCC1 47341146 PCEGBXVFAPXXJS-GFCCVEGCSA-N 287.338 2.582 30 40 CFEB Fc1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(F)c1 453726 OGAGDLGOPBIWQS-NGYBGAFCSA-N 274.230 2.699 30 40 CFEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C 5064357 WXKQSBKURZFLTH-WQLSENKSSA-N 266.257 2.947 30 40 CFEB C[C@@H]1C[C@@H](C)CN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 5739148 QIPJLDIRSZAQEG-GHMZBOCLSA-N 284.319 2.820 30 40 CFEB CN(CCc1ccncc1)c1ncc(C#N)cc1Cl 114709057 KQSSACQOYGEUSD-UHFFFAOYSA-N 272.739 2.681 30 40 CFEB CC(C)c1nc(CC(=O)NCc2ccc(C#N)cc2)cs1 40093965 VJPCLEGKBHETMM-UHFFFAOYSA-N 299.399 2.997 30 40 CFEB CC(=O)C1=C(C)O[C@@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 100789852 KEKFJLSGEDMKDX-QWHCGFSZSA-N 281.695 2.920 30 40 CFEB CC(C)(Cc1ccc(Br)cc1)NCC#N 69697195 RQVGDDJWRVAGNW-UHFFFAOYSA-N 267.170 2.883 30 40 CFEB C[C@H]1CC=C[C@H](NC(=O)OCc2ccccc2)[C@@H]1C=O 1590991 VCAXJIXICNMVTC-CFVMTHIKSA-N 273.332 2.693 30 40 CFEB CC(C)(C)C1=C(O)C(=O)C(C(C)(C)C)=C(O)C1=O 493940 ITDLBGKPPOHWBZ-UHFFFAOYSA-N 252.310 2.855 30 40 CFEB COc1cc(/C=N/c2ccc(O)cc2)c(O)c([N+](=O)[O-])c1 3196937 QINAXSKOILXYTP-OVCLIPMQSA-N 288.259 2.765 30 40 CFEB C/C(=N\c1ccoc1)c1c(O)c2ccccc2n(C)c1=O 101161237 OQBFPDFNDYRAOH-LICLKQGHSA-N 282.299 2.978 30 40 CFEB C#Cc1cccc(NC(=O)c2cc(Cl)ccn2)c1 36804896 DJBIBSCESXIFIV-UHFFFAOYSA-N 256.692 2.969 30 40 CFEB Cc1cnn(C[C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 69870075 PZFBDBMUTVPIFF-CABCVRRESA-N 298.390 2.661 30 40 CFEB CC[C@@H](CO)Nc1ncc2cc3ccccc3nc2c1C#N 19933376 WWYWHTMRLGRJDM-ZDUSSCGKSA-N 292.342 2.837 30 40 CFEB C=C(C)CN(CC)C(=O)Nc1cccc([S@@](C)=O)c1 95398409 SMUMGKKSFRDAFF-IBGZPJMESA-N 280.393 2.854 30 40 CFEB C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C#N)C(C)(C)C 75105578 VIDVOJKMZSIJMZ-UPJWGTAASA-N 266.385 2.636 30 40 CFEB CC[C@H](C)Oc1ccc(/C=N/n2cnnc2)cc1Cl 409012129 JGGGKTIGQNJVKJ-GBYSLYJZSA-N 278.743 2.991 30 40 CFEB CCOC(=O)C1=C(N=C(O)c2ccccc2)SCC1 329788112 OBXNPKYYJYOIPM-UHFFFAOYSA-N 277.345 2.903 30 40 CFEB COc1ccc(N(C)C(=O)/C=C/c2ccccc2C#N)cn1 58428206 FONNRQKKZUKYFD-JXMROGBWSA-N 293.326 2.638 30 40 CFEB C=CCNC(=S)Nc1nnc(C(CC)CC)s1 5375142 NPXRDLBPNJELEQ-UHFFFAOYSA-N 270.427 2.914 30 40 CFEB CCOC(=O)[C@@H](C#N)c1cc(F)cc(Br)c1 1776010879 VTMOOFNSXXBEQZ-JTQLQIEISA-N 286.100 2.758 30 40 CFEB CCCCC(=O)[C@@H](C#N)c1nc2ccccc2n1C 16034507 VKDQOOHPXYDUIE-LLVKDONJSA-N 255.321 2.940 30 40 CFEB O=C(/C=C\c1ccccc1)NOC(=O)/C=C/c1ccccc1 17104430 BDNJZOLJYVBEHO-HEEUSZRZSA-N 293.322 2.988 30 40 CFEB CC1(C)OB(c2cccc3c(N)cccc23)OC1(C)C 1857775472 HVJOQZJVGFNGBK-UHFFFAOYSA-N 269.153 2.721 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc(C)cc2C)CC1 50024132 BYYYRPYTFXODAQ-UHFFFAOYSA-N 270.376 2.587 30 40 CFEB Cc1n[nH]c(C)c1CNc1ccc(Cl)c(C#N)n1 78806371 BPMOMXYVFYKNDV-UHFFFAOYSA-N 261.716 2.559 30 40 CFEB N#Cc1ccc(NC(=O)NCc2ccc(CO)c(F)c2)cc1 53756117 DPHQCEQMYAVTBA-UHFFFAOYSA-N 299.305 2.511 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 101460046 AXBKZHIACBIGID-QRXNYPBCSA-N 273.405 2.673 30 40 CFEB N#Cc1cccnc1NCc1cccc(Cn2cccn2)c1 54837020 NJKQUVOPNCFEHV-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB O/N=C1C(=N/O)/N(c2ccccc2)CN/1c1ccccc1 104267244 SUZOTEFUYJONQA-RYOQUFEFSA-N 282.303 2.546 30 40 CFEB CCC[C@@H](C)N(C)CC(=O)NC1(C#N)CCCCCC1 48070809 JXHFPJHLNPLTOC-CQSZACIVSA-N 279.428 2.840 30 40 CFEB CCCC(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 48524671 YPZGDVRGRAWWHJ-JTQLQIEISA-N 289.722 2.965 30 40 CFEB Cc1cccc(/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)n1 13150293 DWNXKVBAOKIMQH-ZDUSSCGKSA-N 297.383 2.852 30 40 CFEB C/C(=N\O)c1cc2cc(Br)ccc2oc1=O 13898547 RKYDEELLDNWAII-AWNIVKPZSA-N 282.093 2.754 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 4965432 AUMYHFOXDKHSMS-XNTDXEJSSA-N 256.265 2.826 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1c(C)noc1C(C)C 69373156 QSPNRZLBTHKNNN-JTQLQIEISA-N 263.341 2.728 30 40 CFEB N#C[C@H](NC(=O)c1cc2ccccc2s1)[C@@H]1CCOC1 69487436 PZCHHPUHNCICQZ-NEPJUHHUSA-N 286.356 2.560 30 40 CFEB CC[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccoc2)n1 96414371 SXCXIWNIRAXIFN-AWEZNQCLSA-N 289.360 2.754 30 40 CFEB C/N=C1\N=C2SC=CN2C(=O)\C1=C\c1ccccc1 96905269 KUHGCPZPQSQNEQ-HTQMBMLDSA-N 269.329 2.515 30 40 CFEB Cc1noc(C)c1[C@H](C)CNC(=O)C1(C#N)CCCCC1 95434519 ICPNGPIERUJPND-LLVKDONJSA-N 289.379 2.985 30 40 CFEB C[C@H](NCC#Cc1ccc(F)cc1)C1CCOCC1 95985368 OKZMYTBDJPWFPD-ZDUSSCGKSA-N 261.340 2.582 30 40 CFEB C=C[C@@H](C)NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 95944631 XACRKPITOOGBPA-MNOVXSKESA-N 278.400 2.881 30 40 CFEB C=CCn1nc(C)c(CCC(=O)N2CCC(C)CC2)c1C 72243105 HAMQIEGXYQRCBB-UHFFFAOYSA-N 289.423 2.877 30 40 CFEB CC(C)n1nc(Cc2ccc(F)cc2)c(C#N)c1N 225831428 IPDVRXFFVJIIFX-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C)cc1 225324416 WIPUUMYZPGBYFN-CQSZACIVSA-N 273.332 2.689 30 40 CFEB Cc1nn(C)c(C)c1OCCCOc1ccc(C#N)cc1 96462842 DZFLSYYCTTXFAE-UHFFFAOYSA-N 285.347 2.757 30 40 CFEB C=CCn1c(SCCN(C)C)nnc1-c1ccccc1 57508696 LJIRCIGEMQNCDJ-UHFFFAOYSA-N 288.420 2.785 30 40 CFEB Cc1nc(N)c(C#N)c(-c2ccc3c(c2)OCO3)c1C 19095777 RFGCCDBLHAMBJC-UHFFFAOYSA-N 267.288 2.548 30 40 CFEB Cc1sc(NC(=O)NC2CCC(O)CC2)c(C#N)c1C 32796785 XTECBRMZEVAHRG-UHFFFAOYSA-N 293.392 2.662 30 40 CFEB Cc1noc(C)c1COc1ccc(C(=O)OCC#N)cc1 2630582 ZWTZINBTUXQJHE-UHFFFAOYSA-N 286.287 2.551 30 40 CFEB BrN=C1C=CC(=NBr)C=C1 1579992 MQBZNSYRFPFFHP-UHFFFAOYSA-N 263.920 2.614 30 40 CFEB CCOc1cc(C=O)cc(Br)c1OCC#N 2767902 YYGUYTQPRDMNEH-UHFFFAOYSA-N 284.109 2.563 30 40 CFEB N#Cc1ccc(CN2CCN(Cc3cccs3)CC2)cc1 23249320 FQXFLLHUSCOWJL-UHFFFAOYSA-N 297.427 2.938 30 40 CFEB Cc1cc(C)c(C#N)c(SCCCN2CCOC2=O)n1 58356081 WSHKDQVFIPNTTA-UHFFFAOYSA-N 291.376 2.505 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCc1ccc(OCC)cc1 69439140 LAXGERRXPDBCAY-AWEZNQCLSA-N 274.364 2.826 30 40 CFEB C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12 2315488 AOKUOIWXNSWNQF-UHFFFAOYSA-N 274.276 2.689 30 40 CFEB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncccc2C#N)C1 7051355 SMEJWOFUUSDNJI-VXGBXAGGSA-N 289.404 2.550 30 40 CFEB CC(C)(C#N)CCS(=O)(=O)c1ccc(F)cc1 87595002 FGVVUKMPPMUXRW-UHFFFAOYSA-N 255.314 2.539 30 40 CFEB N#Cc1cccc(OCCCN[C@H](CO)c2ccccc2)c1 95462550 LQGHLBUFRJQDCI-GOSISDBHSA-N 296.370 2.650 30 40 CFEB CC(C)c1cc(CN/C(=N/C2CC2)NC[C@H]2C[C@@H]2C)on1 95406135 GAAJHIDDMONKQX-NWDGAFQWSA-N 290.411 2.652 30 40 CFEB CC(C)(C)OC(=O)NCCSc1cc(C#N)ccn1 74015800 LLNBLBDYBGBZLK-UHFFFAOYSA-N 279.365 2.570 30 40 CFEB Cc1nc(SCc2ccccc2F)nc(N)c1C#N 225891059 HVXKWRXGLWRASD-UHFFFAOYSA-N 274.324 2.670 30 40 CFEB Cc1cc(O)cc2c1C(=O)/C(=C/c1ccccn1)O2 45918859 HIQNITIKNNMHQY-QPEQYQDCSA-N 253.257 2.712 30 40 CFEB Clc1ccc(CN2CC[C@H]3O[C@H]3C2)c(Cl)c1 252486290 HVFCKPNHQUHCDI-NEPJUHHUSA-N 258.148 2.967 30 40 CFEB COc1ccc(/C(CNC(=O)OC(C)(C)C)=N\O)cc1F 599884707 ZGLRAZQAQPWUMF-BOPFTXTBSA-N 298.314 2.537 30 40 CFEB C=CCCC(=O)NC[C@@H](c1ccsc1)n1cccn1 618255337 BBRCAKATVRSHRT-ZDUSSCGKSA-N 275.377 2.616 30 40 CFEB C=C(Cl)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 78989596 KQCJQJWHKDAQMG-UHFFFAOYSA-N 264.672 2.606 30 40 CFEB FC(F)(Br)[C@](F)(Cl)C[C@H]1CO1 4241490 UCZRRFGLOXGSDP-IMJSIDKUSA-N 253.445 2.668 30 40 CFEB COC1=C(Nc2ccc(O)cc2)C(=O)c2ccccc2C1=O 532224 BMAYEIGETIZYBV-UHFFFAOYSA-N 295.294 2.741 30 40 CFEB CC(C)c1n[nH]c(SCCOc2ccc(C#N)cc2)n1 22159108 KGCNFNKOVQKENV-UHFFFAOYSA-N 288.376 2.971 30 40 CFEB CC(C)[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)O 104095171 XGKRTQSMOMJPIE-RZBIUYHXSA-N 255.701 2.574 30 40 CFEB Cn1nccc1C1CCN(Cc2cc(C#N)ccc2F)CC1 58297397 LNYKYZOVFYPDHV-UHFFFAOYSA-N 298.365 2.810 30 40 CFEB N#Cc1ccc(OCCOC(=O)c2ccccc2F)cc1 10731049 VBMILAFVPYOSSW-UHFFFAOYSA-N 285.274 2.933 30 40 CFEB Cc1ccc(NC(=O)COc2ccc(C#N)cc2)c(O)c1 3550598 VGRMIEPSDWIGDS-UHFFFAOYSA-N 282.299 2.590 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1 5868395 UXHCBQDTRJEOMN-ZDUSSCGKSA-N 280.327 2.989 30 40 CFEB O/N=C(\Cc1nccn1C(F)F)c1ccccc1 9318744 BCMWJZWLYLDLMK-MHWRWJLKSA-N 251.236 2.699 30 40 CFEB N#Cc1ccsc1NC(=O)CSc1ccccn1 7699431 PMTWGESHZPEZRX-UHFFFAOYSA-N 275.358 2.746 30 40 CFEB CCN1/C(=C/C(C)=O)Sc2ccc(OC(C)=O)cc21 68249423 RLEOCVDWLAYGRX-AUWJEWJLSA-N 277.345 2.974 30 40 CFEB CCc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 408914484 YCMWLLVNVSJRBE-SXGWCWSVSA-N 270.292 2.998 30 40 CFEB C=CCNC(=O)C1CCN(Cc2ccccc2C)CC1 39745187 UVWBIUKELIWYEN-UHFFFAOYSA-N 272.392 2.509 30 40 CFEB Cc1c(C(=O)OCC#N)cnn1-c1ccc(Cl)cc1 32901236 BKGDTWWHLXUPPJ-UHFFFAOYSA-N 275.695 2.515 30 40 CFEB CCOc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 48376292 FHPZTSJGIDKDHK-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB C/N=C(/O)c1cccc(NCC[C@@H]2CCOC2)c1C 331248469 NLZFFGIIPNJWEW-GFCCVEGCSA-N 262.353 2.768 30 40 CFEB Cc1cc(Cl)cc(O)c1B1OC(C)(C)C(C)(C)O1 725326084 SGDZQSYWKGVINN-UHFFFAOYSA-N 268.549 2.653 30 40 CFEB O=C(O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1 13267041 AVESASQNZXASSK-UHFFFAOYSA-N 288.306 2.970 30 40 CFEB C=CCNC(=S)N[C@H](C)c1ccc(OCC)cc1 13752110 YRYSZVHSPRFIQU-LLVKDONJSA-N 264.394 2.796 30 40 CFEB Cc1c(-c2ccc3c(c2)OCO3)sc(N)c1C#N 1569085 GRMWCICSEGAMRK-UHFFFAOYSA-N 258.302 2.906 30 40 CFEB Cc1nc(-c2ccco2)ccc1C(=O)N(C)CCC#N 78729496 KDGQRJUUPYOOAI-UHFFFAOYSA-N 269.304 2.636 30 40 CFEB CCn1c2ccccc2n2c(=O)c3cccnc3c(C#N)c12 3192117 ULEQQQAIBNEAHA-UHFFFAOYSA-N 288.310 2.694 30 40 CFEB CCc1ccc(NC(=O)[C@@H](C#N)Cc2ccncc2)cc1 419698 AVEDUTLKODMHFH-OAHLLOKOSA-N 279.343 2.965 30 40 CFEB N#Cc1cnc(SCc2cccc(Cl)c2)nc1N 7045480 WMWQCWBXXNTOIP-UHFFFAOYSA-N 276.752 2.876 30 40 CFEB COc1cccc(CC(=O)Nc2ccc(C#N)cc2)c1 12599212 PPHRHKHBFQQUKP-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB N#Cc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 48711224 GRMPIJYZQOCFEQ-UHFFFAOYSA-N 292.386 2.843 30 40 CFEB O=C(O)c1ccc(N/N=C2/CCOc3ccccc32)cc1 38364803 OFWUEXUOAXTOPO-JXAWBTAJSA-N 282.299 2.984 30 40 CFEB N#Cc1ccc(NC(=O)c2ccncc2)cc1Cl 14686193 SKDMENUJPWOOBW-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB C=CCSc1nnc(NC(=O)C2CCC2)s1 6706228 OSQHRMXGGYVCCL-UHFFFAOYSA-N 255.368 2.555 30 40 CFEB N#Cc1ccc(N[C@H]2CCc3c(O)cccc32)cn1 91485238 WOJJPPQYOIKMTP-AWEZNQCLSA-N 251.289 2.758 30 40 CFEB C=CCn1c(C)nn(CN(CC)CC2CC2)c1=S 69797174 CUWRZQKOHCQJAC-UHFFFAOYSA-N 266.414 2.598 30 40 CFEB N#CCNCc1ccc(OCc2cccs2)cc1 22076422 HOBFUMQXROUGLY-UHFFFAOYSA-N 258.346 2.940 30 40 CFEB C=CCN1C(=O)C2(CCCCC2)N[C@H]1c1nc(C)cs1 95403394 JMJANKORTDYOEK-GFCCVEGCSA-N 291.420 2.771 30 40 CFEB C=CCN(CC=C)C(=O)N[C@H]1CCC[C@@H]1SC 74762718 YXNPTYXWCDQSSW-RYUDHWBXSA-N 254.399 2.654 30 40 CFEB CS(=O)(=O)/N=C(\O)CCc1ccc(C(F)(F)F)cc1 78657717 ZGGUDIWMXWJCIU-UHFFFAOYSA-N 295.282 2.554 30 40 CFEB Fc1cccc(F)c1[C@@H](OC[C@@H]1CO1)C(F)(F)F 95096090 KYGKBQSQFJSEJK-QUBYGPBYSA-N 268.181 2.984 30 40 CFEB CC(=O)/C(C)=C/[C@@H](C)c1ccc(CO)cc1/C=C/CO 1772591164 JUZMDKSAXILSNM-RMYJEONUSA-N 274.360 2.823 30 40 CFEB CCCNC(=O)CON=C1c2ccccc2-c2ccccc21 5460187 ZYOAKTDUXHYOQK-UHFFFAOYSA-N 294.354 2.962 30 40 CFEB O=C(O)c1ccccc1/C=N/N=C/c1ccccc1O 1709503 MNGDXHQRYJWATO-CZCYGEDCSA-N 268.272 2.543 30 40 CFEB CCc1c(C)sc(NC(=O)[C@H]2CCCO2)c1C#N 369121 LMLNXBLUAMUFNZ-LLVKDONJSA-N 264.350 2.608 30 40 CFEB COc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1F 9364404 DSCDOZXYBIXBIV-UHFFFAOYSA-N 284.290 2.887 30 40 CFEB N#Cc1cnccc1NC(=O)[C@H]1SCCc2ccccc21 97009844 QFZRKCIWBCUYBO-HNNXBMFYSA-N 295.367 2.922 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)Cc1cccs1 58244541 GXZDCQPPTZXGAL-UHFFFAOYSA-N 270.357 2.843 30 40 CFEB C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 2313432 QPFBBTVURRVKAJ-UHFFFAOYSA-N 288.303 2.997 30 40 CFEB C=CCSc1ncc(CO)n1Cc1ccccc1 4003039 ZSRPEHIUFWGZOU-UHFFFAOYSA-N 260.362 2.702 30 40 CFEB CC(C)c1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1 4106439 OETDYZRFJRCUBE-IFRROFPPSA-N 280.335 2.922 30 40 CFEB COc1ccc(OC)c(NC(=O)C#Cc2ccccc2)c1 13737272 SKCWSRWPRROBJJ-UHFFFAOYSA-N 281.311 2.694 30 40 CFEB N#Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4524561 RTWWROJJJMPJJU-XBXARRHUSA-N 292.294 2.939 30 40 CFEB CN(C(=O)c1ccccc1C(=O)OCC#N)c1ccccc1 4789990 FCKOCSJLFPVWIW-UHFFFAOYSA-N 294.310 2.644 30 40 CFEB CC1(C)CC(=O)C([C@H]2OC(=O)c3ccccc32)=C(N)C1 9355654 PTJYRRSMZXIMDV-AWEZNQCLSA-N 271.316 2.500 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\C=C\c2ccco2)nc1 408749139 DSXRWTVBKHBZFP-DEIDSRKRSA-N 258.237 2.694 30 40 CFEB Cc1nc(C(=O)N[C@@H](C#N)c2ccccc2F)cs1 71889068 BRSSBHNAJGYMHF-NSHDSACASA-N 275.308 2.585 30 40 CFEB Cc1oc(C)c(C(=O)N(CC#N)C2CC2)c1Br 95957241 OZIDLDYXKPIKGC-UHFFFAOYSA-N 297.152 2.787 30 40 CFEB Cc1ccccc1-n1ncc(C#N)c1Br 218306282 IGKMOMMQGWNLAO-UHFFFAOYSA-N 262.110 2.815 30 40 CFEB COc1ccc(C(=O)/C=C(\C)NCc2cccnc2)cc1 32100362 HCJSLFNBLURADY-JLHYYAGUSA-N 282.343 2.967 30 40 CFEB C=CCn1nc(C)c(CCC(=O)Nc2cc(C)on2)c1C 72243104 MTZJOMPSOKFEAK-UHFFFAOYSA-N 288.351 2.554 30 40 CFEB COc1ccc2oc(C(=O)O[C@H](C)C#N)c(C)c2c1 4524848 BQNYKOSZSUVCGT-MRVPVSSYSA-N 259.261 2.819 30 40 CFEB NC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])s1 46017 XOURRBPIQHMSHP-VGOFMYFVSA-N 275.289 2.506 30 40 CFEB C=C[C@]12c3c4cc(OC)cc3O[C@@H]1[C@@H](O)CC[C@@H]2CC4 4972536 TUGLWPQTLHFOHH-BHADISHBSA-N 272.344 2.597 30 40 CFEB COC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C 1382955 DXPBGLFCLKCOFV-UHFFFAOYSA-N 298.298 2.849 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C2/CCCCc3ccccc32)n1 9666346 JSCBDROKGJUYHK-RGEXLXHISA-N 282.347 2.621 30 40 CFEB CCCCCS(=O)(=O)/N=C(\O)c1cccc(F)c1F 95395495 IUSVRCJQCOAXBM-UHFFFAOYSA-N 291.319 2.789 30 40 CFEB C[C@H](C#N)CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1 95460763 GEALTLGAWHEDTN-LLVKDONJSA-N 268.320 2.963 30 40 CFEB Cc1ccccc1CCCNC(=O)c1cc(C#N)c[nH]1 95963439 OZYDFUMWFONWIJ-UHFFFAOYSA-N 267.332 2.557 30 40 CFEB CC(C)c1nc([C@H]2CCCN(c3ncccc3C#N)C2)no1 72279252 KGFBFHISSPWHCG-ZDUSSCGKSA-N 297.362 2.844 30 40 CFEB CCc1cc(C)n(Cc2ccccc2C#N)c1C(=O)O 78405426 AAPKEFXKGSMXFS-UHFFFAOYSA-N 268.316 2.977 30 40 CFEB Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1C(=O)O 44767467 XAUVRHSOSTUXAK-UHFFFAOYSA-N 272.304 2.716 30 40 CFEB Cc1cccc(CSCC(=O)N(C)CCC#N)c1 49932337 UIDMPQGUQXYHHN-UHFFFAOYSA-N 262.378 2.600 30 40 CFEB C=C(Cl)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 40002648 PWMHILKSMYCTLP-UHFFFAOYSA-N 294.830 2.783 30 40 CFEB CC(=O)Nc1ccc(-n2c(C)cc(C#N)c2C)cc1 223714844 NSCCUGIUSDLSGR-UHFFFAOYSA-N 253.305 2.924 30 40 CFEB CC1(C)CC(=O)C=C(NNC(=S)c2ccccc2)C1 5295286 PHWXOHOMQBSMNZ-UHFFFAOYSA-N 274.389 2.729 30 40 CFEB CCOC(=O)CC/C(C)=N/N=C(\C)CCC(=O)OCC 16923023 UJBJVLSIXKNCDO-JOBJLJCHSA-N 284.356 2.510 30 40 CFEB N=C(N/N=C\c1ccccc1Cl)c1ccccn1 5338233 ZFOKPNTWLCQVKR-MFOYZWKCSA-N 258.712 2.684 30 40 CFEB C/N=C1/S/C(=C/c2ccc(SC)cc2)C(=O)N1C 6279510 DQTOHGWIKMEGKA-ZOBWXTBZSA-N 278.402 2.940 30 40 CFEB Cc1cc(C(=O)Nc2ccccc2C#N)nc(C2CC2)n1 1888853249 FDTBVCBNBVFQCP-UHFFFAOYSA-N 278.315 2.786 30 40 CFEB N#Cc1ccc(NC(=O)NCc2cccs2)cc1 40012740 GQVYRLYZBZVLQL-UHFFFAOYSA-N 257.318 2.941 30 40 CFEB Cc1cnc(NC(=O)[C@H](C)Oc2ccccc2C#N)s1 29779405 XPKVFQSHWWGIKG-JTQLQIEISA-N 287.344 2.729 30 40 CFEB N#Cc1ccccc1COc1ccc(/C=N/O)cc1 6884567 SHOBSHWYLYIZKS-LICLKQGHSA-N 252.273 2.945 30 40 CFEB N#CCOc1cc(OCC#N)c(Cl)cc1Cl 7577943 MKSDCFTURXYCPB-UHFFFAOYSA-N 257.076 2.798 30 40 CFEB CN(CCC#N)C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 58179943 KXHBICQBWVCERB-QGZVFWFLSA-N 297.402 2.510 30 40 CFEB N#Cc1ccc(OCC(=O)NCCCc2ccccc2)cc1 3299674 LFYLUWOCLSBZFJ-UHFFFAOYSA-N 294.354 2.686 30 40 CFEB COCc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 36398303 SWLVYEUSDZXBAH-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB CN(CCCc1ccccc1)C/C(O)=N/c1nncs1 48375135 LAZINZFDATVENR-UHFFFAOYSA-N 290.392 2.691 30 40 CFEB CO/N=C/c1c[nH]c2ccc(Br)cc12 4107121 CTSYBEIMJUDRKI-AWNIVKPZSA-N 253.099 2.911 30 40 CFEB Cc1cc([N+](=O)[O-])ccc1/N=C1\C(=O)Nc2ccccc21 5540224 JQTBEHBPXRDLFX-UHFFFAOYSA-N 281.271 2.976 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]c1=O)c1ccccc1 4747152 WAZCBTNKOAIVMJ-YBFXNURJSA-N 278.315 2.759 30 40 CFEB C=C(C)CNC1=NN=C(c2cc(F)ccc2F)CS1 8982263 VYQVSYPGCLXDGF-UHFFFAOYSA-N 281.331 2.937 30 40 CFEB O=C1N[C@@H](c2ccccc2F)C(C(=O)c2ccccc2)=C1O 5819164 MAFDYAFVYLIRAP-AWEZNQCLSA-N 297.285 2.692 30 40 CFEB Cc1ccc([C@@H]2C[C@@H]2C(=O)NC2(C#N)CCC2)s1 95393905 QIPNGKLUQPKYQV-MNOVXSKESA-N 260.362 2.723 30 40 CFEB N#Cc1ccc(O)c(NC(=O)C2(C#N)CCCCC2)c1 95443682 SFMPLZQBRPKVLG-UHFFFAOYSA-N 269.304 2.676 30 40 CFEB C=CC[C@H](C)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 95986471 DYNBLDCLXZKETH-XQQFMLRXSA-N 268.401 2.986 30 40 CFEB C[C@@H](Nc1ccc(C#N)nc1)[C@@H](O)c1ccc(F)cc1 195575299 XFPOPSGZQBIBBJ-MEBBXXQBSA-N 271.295 2.626 30 40 CFEB N#CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 96487500 XHNKYCBQHCQRNS-UHFFFAOYSA-N 298.217 2.677 30 40 CFEB CC(C)c1n[nH]c2cccc(B3OC(C)(C)C(C)(C)O3)c12 585669995 RHFKHCRSRFHEQO-UHFFFAOYSA-N 286.184 2.986 30 40 CFEB CC(C)[C@]1(C)S/C(=N/[C@@H]2C[C@H]3CC[C@H]2C3)NC1=O 503933169 YCNCXQNUXCHRRX-DYNIEEOBSA-N 266.410 2.809 30 40 CFEB Cc1cc(Br)cc2c(O)c(C#N)cnc12 100280537 OZUKMNIJUXVVKR-UHFFFAOYSA-N 263.094 2.883 30 40 CFEB C=CCNC(=S)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 101268296 HLYXLAUJDRRXPZ-JOUPJPQCSA-N 263.410 2.615 30 40 CFEB N#CCN(Cc1ccc2c(c1)OCCO2)C1CCCC1 69518431 HAFLKLYUMGXPBJ-UHFFFAOYSA-N 272.348 2.726 30 40 CFEB C=C(Br)COc1ccccc1NC(C)=O 69571020 NTRRNKSIVFAKOX-UHFFFAOYSA-N 270.126 2.932 30 40 CFEB O=C1Nc2cc(Cl)ccc2N/C1=C\C(=O)c1ccccn1 104238251 NZSQDDPAFPPLRM-JYRVWZFOSA-N 299.717 2.866 30 40 CFEB CN(C)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1 3556032 SYGVZGGTBJXVNK-UHFFFAOYSA-N 280.327 2.981 30 40 CFEB CCc1c(C#N)c(S)nc2c1C(=O)CC(C)(C)C2 38490590 XDNJIYOTWTYIBV-UHFFFAOYSA-N 260.362 2.959 30 40 CFEB Cc1ccccc1OCCN(C)c1ncccc1C#N 14136976 AEHSAXZVEYDWSG-UHFFFAOYSA-N 267.332 2.777 30 40 CFEB N#Cc1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7265373 DOGNBTDHZZRLOQ-PBWFPOADSA-N 282.343 2.892 30 40 CFEB C=C(C)CN(CC)C(=O)Nc1c[nH]nc1-c1ccccn1 93331093 GWRXLKMJPRSQES-UHFFFAOYSA-N 285.351 2.902 30 40 CFEB C#Cc1cccc(NC(=O)NOCc2ccccc2)c1 69485958 MELKMCHSNKLRLA-UHFFFAOYSA-N 266.300 2.921 30 40 CFEB C[C@@H]1C(=O)C(c2ccc(F)cc2)=C(N)N1c1ccccc1 95950900 HSVUXFSMFYPALR-LLVKDONJSA-N 282.318 2.931 30 40 CFEB C=CCOc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 225319469 FJKAZGALUWKNOK-CQSZACIVSA-N 292.404 2.717 30 40 CFEB Cc1cccc(Cc2nn(C(C)C)c(N)c2C#N)c1 225831352 RKLHAJXWRPWIED-UHFFFAOYSA-N 254.337 2.817 30 40 CFEB Cn1cc(CN(CC#N)Cc2ccc(Cl)cc2)cn1 390835288 JJTJFYQHKNVNHU-UHFFFAOYSA-N 274.755 2.599 30 40 CFEB Cc1ccc(N/N=C/Cc2nnnn2-c2ccccc2)cc1 5414429 KPMBSTXPVANUOT-SFQUDFHCSA-N 292.346 2.611 30 40 CFEB C#CCOc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 20722552 VHVMBLBQJGZBQG-AWEZNQCLSA-N 299.355 2.846 30 40 CFEB C=CC[n+]1c(C)csc1Nc1ccc(C(=O)O)cc1 1466422 ILQDDPZTNZNHRH-UHFFFAOYSA-O 275.353 2.972 30 40 CFEB O=C1C=C([C@@H](O)c2ccccc2)C(=O)c2ccccc21 2044347 QZUXQFHABMIUOY-INIZCTEOSA-N 264.280 2.726 30 40 CFEB C/C(=N\[C@H]1NC=CS1)c1cc2ccccc2oc1=O 4701577 PKRKOQQNSVABDN-BRYYZUPOSA-N 272.329 2.693 30 40 CFEB COc1ccccc1NCC(=O)Nc1sccc1C#N 8211005 GTENBYDOYXBKGX-UHFFFAOYSA-N 287.344 2.679 30 40 CFEB C=CCNc1oc(COc2ccccc2OC)nc1C#N 1805374 SAWCWMLCOYEXAQ-UHFFFAOYSA-N 285.303 2.732 30 40 CFEB C[C@@H](C#N)OC(=O)CCc1nc2ccccc2s1 10358857 SHXJSQJIVJUKOX-VIFPVBQESA-N 260.318 2.684 30 40 CFEB Cc1cccc(NC(=O)COc2ccccc2C#N)c1 3445387 BFTKTIHHTTYPCT-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB Cc1cccc(OCCC(=O)N(C)C[C@H](C)C#N)c1C 65586923 IQIUWBBGRIXURY-GFCCVEGCSA-N 274.364 2.690 30 40 CFEB Cc1noc(NC(=O)c2ccccc2Cl)c1C#N 5724396 SSVQOGCTKMVLCP-UHFFFAOYSA-N 261.668 2.760 30 40 CFEB Cc1cnc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)s1 9365155 DTGXFXBHLXPBRG-JTQLQIEISA-N 287.344 2.729 30 40 CFEB Cc1nnc(SCc2ccc(CO)cc2)c(C#N)c1C 97080553 SRYRWTSWLOLNQW-UHFFFAOYSA-N 285.372 2.750 30 40 CFEB C[C@@H](NC(=O)C1(C#N)CCCC1)[C@@H](c1ccccc1)N(C)C 193658219 MIKRLLNQLFXVPR-ZBFHGGJFSA-N 299.418 2.878 30 40 CFEB N#Cc1ccc(C(F)(F)F)c(NCc2cc[nH]n2)c1 195567090 LQCBMBYOGLTLFM-UHFFFAOYSA-N 266.226 2.912 30 40 CFEB CC(C)(C)c1nc(O)c(Br)cc1C#N 96510627 RWVBMVSLENBLGJ-UHFFFAOYSA-N 255.115 2.719 30 40 CFEB N#Cc1ccc2[nH]ccc(=Nc3ccc(C(=O)O)cc3)c2c1 1740818984 LGJOVRPKVSFHRS-UHFFFAOYSA-N 289.294 2.970 30 40 CFEB COc1ccc(/C=N/[C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 13756403 CZTMDZPKDBTDSQ-FFEFNDLDSA-N 260.381 2.843 30 40 CFEB C/C(=C\C(=O)c1ccccc1)NCc1cccnc1 5454564 PKUDEVRDDDUPGG-JLHYYAGUSA-N 252.317 2.958 30 40 CFEB Cc1cc([C@@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]1 78901057 MVTVBNLDJQBULZ-MRXNPFEDSA-N 280.375 2.969 30 40 CFEB C=CCCS(=O)(=O)N(C)Cc1cccc(Cl)c1 79108341 IPHQWAXSMFJRNX-UHFFFAOYSA-N 273.785 2.678 30 40 CFEB CS(=O)(=O)Nc1ccccc1C/N=C(\O)C1CCCC1 32930700 GNMPOLOCOFTPLX-UHFFFAOYSA-N 296.392 2.705 30 40 CFEB Cc1nc(SCC(=O)NC2CC2)c(C#N)c(C)c1Cl 12372247 MBRMDYWMVFSFAY-UHFFFAOYSA-N 295.795 2.594 30 40 CFEB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(CC#N)c2ccccc21 106170976 FVPZFASSESXSKN-GUTXKFCHSA-N 285.391 2.807 30 40 CFEB Cc1cc2cc(NC(=O)CSCC#N)ccc2[nH]1 25129341 KPRSJLVUEPYAJB-UHFFFAOYSA-N 259.334 2.672 30 40 CFEB N#Cc1cccnc1NCc1ccc(OCC2CC2)nc1 58293230 YQPBKWHUUOLYCP-UHFFFAOYSA-N 280.331 2.749 30 40 CFEB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)cc1 13011040 QIIKFCZYFZNXHF-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB COC(=O)c1sc2c(cnc3c(C#N)cccc32)c1O 62719770 IPFITNPYDDQHIS-UHFFFAOYSA-N 284.296 2.813 30 40 CFEB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C#N)c1 5358796 YAGKXMZPSZTRIG-JTQLQIEISA-N 258.350 2.888 30 40 CFEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1 20637343 BNBOVZDOQNBGRD-WFASDCNBSA-N 288.310 2.718 30 40 CFEB O/N=C(/c1cc(F)c(F)c(F)c1)c1ccc(O)cc1O 32502199 LTWJGWOVJGCFRI-LGMDPLHJSA-N 283.205 2.742 30 40 CFEB C=C[C@H](CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1 190477818 KHYZMNABCBDCGN-HIFRSBDPSA-N 287.359 2.670 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1 253375429 PTNJUJSELDTUET-JYJNAYRXSA-N 293.432 2.930 30 40 CFEB CO[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1C 96104927 PVVWRVGNCIPAMU-KRWDZBQOSA-N 294.354 2.984 30 40 CFEB N#CC1CCN(C(=O)CCc2ccccc2F)CC1 62525283 HFSCQCICEAGBDL-UHFFFAOYSA-N 260.312 2.520 30 40 CFEB Cc1cc(C)c(C(=O)/C=C(/S)N2CCOCC2)c(C)c1 18117639 HURPHOHYYCWIEU-XNTDXEJSSA-N 291.416 2.898 30 40 CFEB CC1(C)CC(=O)C=C(NC[C@H]2NCCc3ccccc32)C1 20528367 VHRUBPNOERRMGC-QGZVFWFLSA-N 284.403 2.736 30 40 CFEB Cc1cccc(N2CCN(c3cccc(C#N)n3)CC2)c1 80117343 LMRSEHRADADHCR-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB C=CCn1c(C)[n+](CC)c2cc(C(=O)OCC)ccc21 243454 VFUPKBBYQRCSSV-UHFFFAOYSA-N 273.356 2.620 30 40 CFEB C=CCn1c2ccccc2n2c(C(=O)OC)c(C)nc12 305205 UGDHKPGFVUGFDQ-UHFFFAOYSA-N 269.304 2.570 30 40 CFEB N#C[C@@H]1[C@H](C#N)[C@@H]2CC[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]21 4720664 XSPAFQYQNRLWMV-IAODNVIUSA-N 277.331 2.930 30 40 CFEB N#Cc1cnn(-c2ccccc2)c1/N=C/N1CCCCC1 505587 BQJPJRNSSLQHEQ-QGOAFFKASA-N 279.347 2.890 30 40 CFEB CC(/C=C\c1ccccc1Cl)=N\C(=S)NC(N)=S 104377750 SQDVUMGAGJLCFO-WLYYOSHGSA-N 297.836 2.932 30 40 CFEB O=C1C=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc21 102629247 AKILUMMGTXKTSJ-ICFOKQHNSA-N 297.335 2.617 30 40 CFEB N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 3279111 VYCDUJGYVPMNJZ-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB C[C@@H](C1CC1)N(C)C(=O)/C=C/c1cccc(C#N)c1 27617659 JKEKFDJEAPIJSP-LZGFCCKTSA-N 254.333 2.828 30 40 CFEB CC(=O)Nc1ccc(C(=O)Oc2ccc(C#N)cc2)s1 8744826 PNVKSLZKEKPDAD-UHFFFAOYSA-N 286.312 2.797 30 40 CFEB COc1cccc(/N=C(/N)SCc2ccccn2)c1 4115654 ADBSUTUMPAYMLJ-UHFFFAOYSA-N 273.361 2.970 30 40 CFEB Cn1cnc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc21 119294749 KCHSDRNOSSTDNO-UHFFFAOYSA-N 290.326 2.892 30 40 CFEB C[C@H]1CCC[C@H](C)N1/N=C/c1ccccc1C(=O)O 5838572 JKDLWISMCYGBAF-ATARQRRYSA-N 260.337 2.982 30 40 CFEB COc1ccc(C(=O)Nc2cccc(C#N)c2)c(F)c1 7268398 FHVLMZYBKCKULH-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB N#Cc1cc(C#N)c(SCCc2cccs2)nc1N 69393121 LYSHZNUHINUQQO-UHFFFAOYSA-N 286.385 2.803 30 40 CFEB CCc1ncc2c(n1)CN(Cc1cc(C#N)ccc1F)CC2 72268490 REOLEJSAEXKSLI-UHFFFAOYSA-N 296.349 2.608 30 40 CFEB N#CC1(OC(=O)/C=C/c2ccc3c(c2)OCO3)CCCC1 95997372 MNUGRRAUUDUJHA-GQCTYLIASA-N 285.299 2.808 30 40 CFEB N#Cc1ncoc1N1CCN(c2cccc(Cl)c2)CC1 27562440 CNVZIYYYHXZRLF-UHFFFAOYSA-N 288.738 2.526 30 40 CFEB Cc1cc([C@H](O)CCNC(=O)c2cccc(C#N)c2)c(C)o1 85561251 DXJLKRCHALAUNZ-MRXNPFEDSA-N 298.342 2.622 30 40 CFEB CC[C@](C)(CC(=O)OC)NCc1cc(C#N)ccc1F 96461847 CKDVBFXZXNKBQZ-OAHLLOKOSA-N 278.327 2.519 30 40 CFEB C=C(C)CN1CCC(NC(=O)OC(C)(C)C)CC1 69492628 VIGNIUVQLMBPME-UHFFFAOYSA-N 254.374 2.552 30 40 CFEB C=CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O 5624829 CGNXHLMIDNSTOX-UHFFFAOYSA-N 275.735 2.984 30 40 CFEB O=C1C(=CNNc2ccccc2)C(=O)c2ccccc21 5947419 GOZLZNOVCOULPF-UHFFFAOYSA-N 264.284 2.566 30 40 CFEB COc1cc(/C=N/O)c2c(c1Br)CCCO2 16778438 FCWUJGHMYZTHAA-AWNIVKPZSA-N 286.125 2.591 30 40 CFEB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 353456410 WATSDIDCINISMW-MRXNPFEDSA-N 299.418 2.685 30 40 CFEB N#Cc1ccc(NCc2ccc(N3CCCC3)nc2)nc1 40067603 PAUSROMBNPBOIR-UHFFFAOYSA-N 279.347 2.561 30 40 CFEB C=CCc1ccccc1OC[C@@H](O)CN1CCCCC1 75554 UXGVMKSFFBJMQJ-INIZCTEOSA-N 275.392 2.641 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@H](C)Oc1ccc(SC)cc1 76985311 HUINMVCWFQSIPG-RYUDHWBXSA-N 292.404 2.984 30 40 CFEB CC1=C(C)C[C@H]2C(=O)C([C@H](O)CC(C)C)=CC(=O)[C@H]2C1 104197149 KWNHRELNXGRZAG-GZBFAFLISA-N 276.376 2.834 30 40 CFEB COC(=O)c1ccc(/N=C2\CCCCCN2)s1 3210851 PIQBKIXQKCQRNL-UHFFFAOYSA-N 252.339 2.728 30 40 CFEB N#Cc1ccc(CS(=O)(=O)Cc2cccc(F)c2)cc1 58240703 WWFRNSMSLJXQNO-UHFFFAOYSA-N 289.331 2.812 30 40 CFEB Cc1nn(CCC#N)cc1/C=N/Nc1ccccc1 5445981 UGWKZOIXCGYULJ-MHWRWJLKSA-N 253.309 2.551 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1cc(C)ccc1OCC 16624717 NPHFFKSEUHURFA-UHFFFAOYSA-N 295.404 2.756 30 40 CFEB Oc1ccccc1/C=N/c1ccccc1N1CCOCC1 32115463 NDALOEOKNLJXSL-QGOAFFKASA-N 282.343 2.979 30 40 CFEB NC(=O)c1c(F)cc(C(F)(F)F)cc1C(F)(F)F 38529825 JVKCWHQLKXFFJN-UHFFFAOYSA-N 275.123 2.962 30 40 CFEB C#CCOC(=O)c1ccc(Cl)c(-n2cccc2)c1 226244816 YTGCVQILPVKJJA-UHFFFAOYSA-N 259.692 2.921 30 40 CFEB O=C(CCC1CCCCC1)NCC#CCN1CCCCC1 75164747 CNXDPEFSWBZGQF-UHFFFAOYSA-N 290.451 2.952 30 40 CFEB CCCn1nc(OCc2ccc(Cl)cc2)c(C#N)c1N 225830859 QWLBQOBVYRLTSU-UHFFFAOYSA-N 290.754 2.979 30 40 CFEB CC[C@H]1CN(CCCC#N)[C@@H](CC)CN1CCCC#N 195530717 SAJUVTKYZJWTSA-HOTGVXAUSA-N 276.428 2.769 30 40 CFEB Cc1ccc(F)c(NS(=O)(=O)c2ccccc2C#N)c1 14251237 YGGVAMROHIIWHN-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB Cc1cc(C)c(C#N)c(N2CCC(c3ccncn3)CC2)n1 298724299 WWJQVLUMOREWMB-UHFFFAOYSA-N 293.374 2.744 30 40 CFEB C=CCNCc1ccc(-c2cccc(C(=O)O)c2)o1 13730358 HVQBOCNZCPSDNY-UHFFFAOYSA-N 257.289 2.920 30 40 CFEB CC(C)c1ccc(C[n+]2ccccc2/C=N\O)cc1 17129419 QTFQHLNTEJPIFZ-UHFFFAOYSA-O 255.341 2.954 30 40 CFEB CCCCCCC[C@@H]1C[C@@H](CSC(=N)N)OC1=O 17297470 ODNPRNWBYSQJGS-MNOVXSKESA-N 272.414 2.905 30 40 CFEB CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 268532 QREFKMJOPFCPHB-OAHLLOKOSA-N 297.310 2.764 30 40 CFEB Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](C#N)CCC#N 72253980 SXUWURIZFKFDCF-GJZGRUSLSA-N 285.395 2.617 30 40 CFEB C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccccn1 12350985 NAGVWQOOMXRCMN-LFIBNONCSA-N 271.276 2.931 30 40 CFEB O=C(/C=N/Nc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 3214629 HFRPLVGTEPCARJ-OQLLNIDSSA-N 285.259 2.581 30 40 CFEB N#CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1 20437107 WTHYWNDCAGXZRR-VGOFMYFVSA-N 292.755 2.520 30 40 CFEB C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC 38143543 QWCNQXNAFCBLLV-RCQSYPNMSA-N 260.377 2.818 30 40 CFEB endogenous,in-man N#Cc1ccsc1NC(=O)CN1CCCCCCC1 3538910 FKTBMWQNUJGWNR-UHFFFAOYSA-N 277.393 2.824 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2ccc(F)cc2)c1 6250038 PMIFFFBIFBUKFI-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB CCn1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cn1 6490294 OOUVECZLSBXWSZ-HYXAFXHYSA-N 270.288 2.528 30 40 CFEB biogenic,in-vitro C#Cc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1 66157275 HVZPJBKUFRREQC-UHFFFAOYSA-N 290.326 2.580 30 40 CFEB in-vitro C=C(C)CN(C)CC(=O)Nc1ccccc1SC 7699492 JLXQHCXVDLCFDF-UHFFFAOYSA-N 264.394 2.855 30 40 CFEB C[S@@](=O)c1ccc(CNc2cccc(C#N)c2)cc1 97049504 GSQNTJCCPBODGF-IBGZPJMESA-N 270.357 2.908 30 40 CFEB C[C@H]1NOC(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 73386496 AVCZFBKFYDUHAM-PUFLHPJVSA-N 274.107 2.896 30 40 CFEB O=C(NO)c1ccc(-c2ccc(F)c(Cl)c2)o1 226290283 ZGEIJTCFYFFCKN-UHFFFAOYSA-N 255.632 2.858 30 40 CFEB CCSC1(CNc2ncccc2C#N)CCOCC1 96420996 PZGPLAXMIDCLLH-UHFFFAOYSA-N 277.393 2.667 30 40 CFEB C[Si](C)(C)C#Cc1ccc(Br)nc1O 953124432 JRYROPPYHWDZTA-UHFFFAOYSA-N 270.202 2.779 30 40 CFEB N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c(F)c1 42251352 TTYOEXKLJPDSJV-JKSUJKDBSA-N 274.339 2.841 30 40 CFEB COc1ccccc1-c1c(C)c(C)nc(N)c1C#N 19095820 MSGSTYDFHPUBPM-UHFFFAOYSA-N 253.305 2.828 30 40 CFEB Cc1ccc(C(=O)Cc2cc(C#N)c(C#N)cc2O)cc1 78547639 DUUDYYUGLCNUMG-UHFFFAOYSA-N 276.295 2.869 30 40 CFEB CN(C)c1ccc2c(c1)SC1=CC(=[N+](C)C)C=C[C@@H]1N2 406666 XKBFTTQXFRJRLT-ZDUSSCGKSA-N 286.424 2.806 30 40 CFEB COc1cccc(NC(=O)COc2cccc(C#N)c2)c1 7976619 HYZXFWKWTLUZTQ-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB N#CCOc1ccc(NC(=O)Cc2cccc(F)c2)cc1 23149821 LRYNFENDXMEPSV-UHFFFAOYSA-N 284.290 2.909 30 40 CFEB CN(Cc1cnn(-c2ccccc2)c1)c1ccc(C#N)cn1 54369110 XLWHBXOBDROAKK-UHFFFAOYSA-N 289.342 2.775 30 40 CFEB Cc1ccc(N/N=C2\C=CC(=O)c3cccnc32)cc1 107207105 RSEVBJLTZNGYOA-XMHGGMMESA-N 263.300 2.959 30 40 CFEB Cc1nsc(NC(=O)Oc2ccccc2)c1C#N 6825046 QBPGOTKMBASIAG-UHFFFAOYSA-N 259.290 2.934 30 40 CFEB N#Cc1ccc(N2CC=C(c3ccc(O)cc3)CC2)nc1 84393344 KAUZXZFUJNUBQR-UHFFFAOYSA-N 277.327 2.953 30 40 CFEB C#CCC1(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 95982787 GXAQSMLFFLVTIM-UHFFFAOYSA-N 288.303 2.527 30 40 CFEB C=C[C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1c1c(O)ccn(O)c1=O 85814295 OQJADHLOEAOIGC-UZWSLXQKSA-N 263.337 2.743 30 40 CFEB O/C(=N/Cc1cccnc1)Nc1cnc2c(c1)CCCC2 329487448 XUGMVQVIJJOGQV-UHFFFAOYSA-N 282.347 2.882 30 40 CFEB C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 96039591 ZAHICDYSYFJATM-IAGOWNOFSA-N 291.391 2.853 30 40 CFEB Cc1cc([C@H]2CCCN2c2ncccc2C#N)no1 13011851 GOXJATMXZUZROE-CYBMUJFWSA-N 254.293 2.591 30 40 CFEB CCc1n[nH]c(S[C@@H](C#N)Cc2ccc(C)cc2)n1 65563633 IXACSSOOFDSYDQ-GFCCVEGCSA-N 272.377 2.903 30 40 CFEB CCc1cc(C(=O)OC/C(C)=N/O)c2ccccc2n1 17312046 MNZABTHQPFJURI-LICLKQGHSA-N 272.304 2.804 30 40 CFEB CC1(C)OB(c2cccnc2NC2CCCC2)OC1(C)C 206104842 CDZGWTGMWTVNNT-UHFFFAOYSA-N 288.200 2.735 30 40 CFEB Cc1nnc(NCc2cc(F)cc(F)c2)c(C#N)c1C 30517161 YKQCQRHXBQPCDL-UHFFFAOYSA-N 274.274 2.855 30 40 CFEB N#CC1(N2CCN(C(=O)c3ccccc3)CC2)CCCCC1 20052251 NVVSMWAVPNBMAB-UHFFFAOYSA-N 297.402 2.671 30 40 CFEB CCc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1 4901647 WVEQFTAXNYZQBD-CQSZACIVSA-N 297.310 2.708 30 40 CFEB CO[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 71894451 JZIVTYBBYGLECA-LBPRGKRZSA-N 250.729 2.827 30 40 CFEB COc1ccc(C=[N+]([O-])Cc2ccccc2)cc1[N+](=O)[O-] 104045339 KZSRDEYLRPYUQL-UHFFFAOYSA-N 286.287 2.733 30 40 CFEB CCn1ncc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1C 6556019 ICSYSGYUHTUKFR-XQRVVYSFSA-N 298.342 2.879 30 40 CFEB N#Cc1ccc(N2CCC[C@H](C(=O)O)C2)cc1Cl 61845187 NQBHMJZCICCFNB-JTQLQIEISA-N 264.712 2.513 30 40 CFEB CCO/N=C(/N)c1ccccc1OCc1ccccc1 95349170 NKWWAVQUPCETNS-UHFFFAOYSA-N 270.332 2.922 30 40 CFEB N#CCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 53095906 WGHFYWMPZFDFND-AWEZNQCLSA-N 272.348 2.898 30 40 CFEB C[C@@H]1C[C@@H]2O[C@@H]2[C@@H](C)N1C(=O)OCc1ccccc1 252493098 MZHAAAUPACQECJ-MHDGFBEUSA-N 261.321 2.573 30 40 CFEB CCC(CC)CN(CCC#N)C(=O)c1cccnc1 75583912 UQMCHGAMTTUCDC-UHFFFAOYSA-N 259.353 2.874 30 40 CFEB O=C(CN/C=C\C(=O)c1cccs1)c1ccccc1 16476565 QOLRSKJPIXDEFQ-HJWRWDBZSA-N 271.341 2.917 30 40 CFEB CCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N 7386600 PMQLPWRIELIEKL-UHFFFAOYSA-N 286.356 2.773 30 40 CFEB C(=N\CCc1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 18066988 VAAVBRUGLFYBNK-NVMNQCDNSA-N 297.310 2.806 30 40 CFEB CC(=O)Nc1ccc(/C(C)=N/OCc2cc(C)no2)cc1 22195350 AEQVYAKUVSOOSG-WOJGMQOQSA-N 287.319 2.882 30 40 CFEB COc1cccc(Oc2nccc(N(C)C)c2C#N)c1 20218587 UBPZFELTGDXITJ-UHFFFAOYSA-N 269.304 2.820 30 40 CFEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc21 536898 SUTFIKFMHUZTQQ-AUWJEWJLSA-N 283.239 2.917 30 40 CFEB Cc1cc(C)n(/N=C\C=C/c2ccccc2)c(=O)c1C#N 25662729 YTRNPYCLWYTULP-HIELQDAGSA-N 277.327 2.884 30 40 CFEB N#Cc1ccccc1OCC(=O)NCCCc1ccccc1 3332693 MPNHLDLHTSFVDH-UHFFFAOYSA-N 294.354 2.686 30 40 CFEB C=CCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 13001368 NVTREJBBZRYLHB-UHFFFAOYSA-N 283.302 2.973 30 40 CFEB CC(C)c1cc(CN/C(=N/C2CC2)NC[C@H]2C[C@H]2C)on1 95406134 GAAJHIDDMONKQX-VXGBXAGGSA-N 290.411 2.652 30 40 CFEB CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1(C#N)CCC1 95955860 XCFVJIUFSZBETQ-UHFFFAOYSA-N 298.302 2.594 30 40 CFEB CCC(CC)/C(O)=N/S(=O)(=O)c1cn(C(C)C)cn1 89490563 VURWLTRXYKPNCP-UHFFFAOYSA-N 287.385 2.545 30 40 CFEB CC1(C)CC(Nc2ccc(N)cc2C#N)CC(C)(C)N1 408712760 OECSKEYLGRHXLA-UHFFFAOYSA-N 272.396 2.862 30 40 CFEB CCCCCCCCCCNC(=O)C(=O)NC(C)C 408707234 IEUPADALDRMFFI-UHFFFAOYSA-N 270.417 2.768 30 40 CFEB C[C@H]1CCCCN1Cc1ccc(CNC(=O)CC#N)cc1 130347245 CSMPOOAUZFIPFJ-AWEZNQCLSA-N 285.391 2.591 30 40 CFEB C=CCOCc1cncc2c1CCN(Cc1ccoc1)C2 96086781 LVWXAWUPFLWPMM-UHFFFAOYSA-N 284.359 2.936 30 40 CFEB C=C(Cl)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 96440440 UBTYZXVETSLIAG-SNVBAGLBSA-N 285.800 2.954 30 40 CFEB N#CCc1ccc(I)c(F)c1F 98210857 ZOJNVKSGGIXVHF-UHFFFAOYSA-N 279.027 2.635 30 40 CFEB CCOc1ccc(CN(C)c2ncccc2C#N)cc1 12809614 NNOSIKUWIUEXEU-UHFFFAOYSA-N 267.332 2.988 30 40 CFEB N#Cc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 16476663 MMJLNTAAUDUYSQ-UHFFFAOYSA-N 291.354 2.521 30 40 CFEB Cn1c(=O)cc(/C=N/c2ccc(O)cc2)c2ccccc21 18057653 BQRLMUJQAGPPCJ-WOJGMQOQSA-N 278.311 2.995 30 40 CFEB CCN(CC)C(=O)CS/C(=N\C#N)Nc1ccccc1 6416087 MZNCDKYTYFTMGA-UHFFFAOYSA-N 290.392 2.537 30 40 CFEB FC(F)(Br)[C@](F)(Cl)C[C@@H]1CO1 4241494 UCZRRFGLOXGSDP-DMTCNVIQSA-N 253.445 2.668 30 40 CFEB Cc1cc(O)c2c(c1)O/C(=C\c1cccnc1)C2=O 11865214 IJAKQYRUBDBABS-QPEQYQDCSA-N 253.257 2.712 30 40 CFEB C[C@@H](NC(=O)NC1CCCC1)c1ccc(C#N)cc1 31101570 UILOTHUVIIXPDV-LLVKDONJSA-N 257.337 2.861 30 40 CFEB N#Cc1cnc(Sc2nc3ccccc3s2)nc1N 160012 WCAREBFXGHXQJQ-UHFFFAOYSA-N 285.357 2.691 30 40 CFEB C=CCSCC(=O)NC(C)(C)c1ccc2c(c1)OCO2 69348127 SAIFEHKLLAJZKF-UHFFFAOYSA-N 293.388 2.686 30 40 CFEB Cc1occc1C(=O)[C@@H](C#N)C(=O)c1cccs1 103259714 QEGGJMJFUZILHS-SNVBAGLBSA-N 259.286 2.855 30 40 CFEB C#CCNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 134755208 GDMIVBWTKFVKKN-AWEZNQCLSA-N 291.350 2.771 30 40 CFEB C=C[C@H](C1=CC(=O)C(OC)=CC1=O)c1ccccc1 1620483 RGSUZUQISVAJJF-LBPRGKRZSA-N 254.285 2.565 30 40 CFEB biogenic,in-vitro CC(C)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[nH]n1 58158960 KMNKGQGGQHMFPK-LLVKDONJSA-N 298.346 2.811 30 40 CFEB N#CCN(C(=O)Cc1cccc2ccccc12)C1CC1 58282495 NLTQRIOJNBZADD-UHFFFAOYSA-N 264.328 2.897 30 40 CFEB N#Cc1cccc(NC(=O)COc2cccc(F)c2)c1 3606621 IURJVSBYTXSZIG-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc2c(c1)OCO2 6673805 VTOZMSPAJHBOQQ-LICLKQGHSA-N 298.298 2.950 30 40 CFEB CC(C)Cc1nnc(NC(=O)c2ccc(C#N)cc2)s1 7643088 YKGDRTCMTITRFU-UHFFFAOYSA-N 286.360 2.861 30 40 CFEB COc1ccc([C@@H](CO)N(C)Cc2ccccc2C#N)cc1 71904362 IPLAWRRXJVWVSL-GOSISDBHSA-N 296.370 2.732 30 40 CFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1cccc(Br)c1 85657932 IZAGMFLSPAXDMZ-NWDGAFQWSA-N 285.137 2.626 30 40 CFEB CC(C)(CCC#N)CNC[C@H]1CCCn2ccnc21 89761650 HDROIFQBGLOXIQ-CYBMUJFWSA-N 260.385 2.680 30 40 CFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(N(C)C)cc1 39560691 XRVKOQQDXSBTCX-JENIJYKNSA-N 299.462 2.739 30 40 CFEB biogenic,in-vitro CC(C)(C#N)C(=O)N1CCC(Oc2ccccc2)CC1 48950934 BBLJHAKIHDQGMU-UHFFFAOYSA-N 272.348 2.606 30 40 CFEB O=C(O)c1ccc(/C=N\N=C\c2ccccc2O)cc1 16919771 ZAILMIHKPZCHRQ-ZAGBYUSBSA-N 268.272 2.543 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C\Cc2ccccc2)cc1 16928518 MCIAAXHXHNXAFV-VBKFSLOCSA-N 288.372 2.502 30 40 CFEB Nc1ccc([N+](=O)[O-])cc1/N=C/c1cccc([N+](=O)[O-])c1 3897832 DKUJZTYZNRDXNZ-OVCLIPMQSA-N 286.247 2.836 30 40 CFEB Cc1nnc(Nc2ccc3c(c2)OCCCO3)c(C#N)c1C 40051202 GHXLBORZKHQTCC-UHFFFAOYSA-N 296.330 2.870 30 40 CFEB C[C@H](Cc1ccco1)NC(=O)c1ccc(C#N)cc1 40510249 BTRJZUXTTWBAQQ-LLVKDONJSA-N 254.289 2.512 30 40 CFEB N#Cc1ccc(N2CC[C@H](CCO)C2)cc1C(F)(F)F 78366289 QKYYSCMPCRZYKM-SNVBAGLBSA-N 284.281 2.786 30 40 CFEB N#Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1 32912594 XJQFZHUTBRXYPZ-HNNXBMFYSA-N 299.305 2.552 30 40 CFEB C[C@@H](C#N)Cn1nc2c(c1C(F)(F)F)CCCC2 12395636 QXKRQVFZMVBSHR-QMMMGPOBSA-N 257.259 2.940 30 40 CFEB C#Cc1cccc(NCC(=O)NCCc2ccc(F)cc2)c1 12522014 NWBYIAIPODLANA-UHFFFAOYSA-N 296.345 2.578 30 40 CFEB O=[N+]([O-])c1ccc(F)c(/N=C2/CCCCCN2)c1 3263747 CDFSGFJESLNZGP-UHFFFAOYSA-N 251.261 2.928 30 40 CFEB Cn1c2ccccc2n2c(=O)c3c(c(C#N)c12)CCCC3 1622356 UATCTFMTNNUUMP-UHFFFAOYSA-N 277.327 2.542 30 40 CFEB CCn1c(S[C@H](C)C#N)nnc1-c1ccccc1OC 3401328 WVOUKDTUMGJBCQ-SNVBAGLBSA-N 288.376 2.978 30 40 CFEB CC(=O)/C=C(\C)NCCCCCCN/C(C)=C/C(C)=O 13283261 CMKCYVKGKXNJAA-PHEQNACWSA-N 280.412 2.712 30 40 CFEB CCSc1cc(C(=O)NC2(C#N)CCCC2)ccn1 65056871 HNYLHIBJHWUNKA-UHFFFAOYSA-N 275.377 2.760 30 40 CFEB N#Cc1cccc(NC(=O)c2noc3c2CCCC3)c1 20438198 GLTJXBYZDLSKSJ-UHFFFAOYSA-N 267.288 2.677 30 40 CFEB Cn1c(SCc2ccccc2C#N)nnc1C1CC1 7005691 LNHXIFLCXVOUJM-UHFFFAOYSA-N 270.361 2.856 30 40 CFEB C=CCN(C(=O)[C@@H](C)OCc1cccc(OC)c1)C1CC1 95983563 GSXYCCIKCLUILE-CYBMUJFWSA-N 289.375 2.777 30 40 CFEB CC[S@@](=O)[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 96455593 OUNIQXMJZNERCG-YRNRMSPPSA-N 290.432 2.728 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCC[C@H](C)C2)nc1 260692644 WWSRICXXIDPJIA-LBPRGKRZSA-N 290.436 2.790 30 40 CFEB CC(C)(CNC(=O)c1ccc(C#N)cc1)N1CCCCC1 15624500 SGFUUFWCYWWVQJ-UHFFFAOYSA-N 285.391 2.553 30 40 CFEB COc1cccc(-n2ccnc2S[C@@H](C)C#N)c1 40024320 CSYQYARNANWZLX-JTQLQIEISA-N 259.334 2.885 30 40 CFEB N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1 40480121 DDUGFMANZMWUPQ-MRXNPFEDSA-N 278.359 2.640 30 40 CFEB C=CCNC[C@@H](O)COc1cc(Cl)ccc1Cl 2651198 YSHATYIYDGLWRA-SNVBAGLBSA-N 276.163 2.509 30 40 CFEB CC[C@@H](C)NC(=O)[C@H](Sc1cc(C#N)ccn1)C(C)C 77909044 GOSXGFUFYURSRR-BXUZGUMPSA-N 291.420 2.985 30 40 CFEB C=CCn1c(S[C@@H](C)C(=O)NCC)nc2ccccc21 6933407 RXJULHMUWREUNJ-NSHDSACASA-N 289.404 2.839 30 40 CFEB Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc(C)n1 107331926 UVDRURFNCKLFKI-FQUUOJAGSA-N 269.348 2.706 30 40 CFEB C#CCOC(=O)c1cccnc1Nc1ccccc1F 58823606 SJMWPRRMQVCGLN-UHFFFAOYSA-N 270.263 2.754 30 40 CFEB N#CCNC1(c2cccc(Br)c2)CCOCC1 48922328 OBWKJSJPQYFRBI-UHFFFAOYSA-N 295.180 2.568 30 40 CFEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 14168569 SRQFUTDPWHWGTM-UHFFFAOYSA-N 298.367 2.940 30 40 CFEB N#CC1(COC(=O)c2ccc(Cl)s2)CCOCC1 97056692 DXDONWJAPXZZCM-UHFFFAOYSA-N 285.752 2.879 30 40 CFEB CC(C)c1cc(CN/C(=N/C2CC2)NC[C@@H]2C[C@H]2C)on1 95406136 GAAJHIDDMONKQX-NEPJUHHUSA-N 290.411 2.652 30 40 CFEB CC(C)[C@H](Nc1ccc(C#N)cn1)c1nnc2ccccn12 95415037 HUXRRMCBJBDVGL-HNNXBMFYSA-N 292.346 2.805 30 40 CFEB COc1nc(C)c(C#N)c(OC)c1-c1ccccc1 71254884 WXXSYEHZOJCOFG-UHFFFAOYSA-N 254.289 2.946 30 40 CFEB NC(N)=N/N=C/c1ccc(-c2ccc(Cl)cc2)s1 61456219 HMARSBUWRCSMGG-FRKPEAEDSA-N 278.768 2.676 30 40 CFEB Cc1ccccc1[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)CC1CC1 96420379 JSGDUJGCROCVOX-UONOGXRCSA-N 293.388 2.795 30 40 CFEB CCc1ccc(-n2nc(C#N)c(N(CC)CC)n2)cc1 256046119 CWGJIEHNAOLYMZ-UHFFFAOYSA-N 269.352 2.548 30 40 CFEB CC(C)CC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 299888505 MCWYOPWJODIZJK-UHFFFAOYSA-N 266.257 2.947 30 40 CFEB C=CCOc1c(Br)cc(CO)cc1OC 17007126 OSVRTPAGTBFROM-UHFFFAOYSA-N 273.126 2.515 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\Cc2ccccc2)nc1 17302218 UPXKGPLYXKTBLA-DHDCSXOGSA-N 256.265 2.630 30 40 CFEB N#Cc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)O)CC1 100449855 ODZQOFOBOVVXCF-XYPYZODXSA-N 257.289 2.632 30 40 CFEB Cc1ccccc1NC(=O)CNc1ccc(C#N)cc1 2641198 MKTLUOJZKSXIMK-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB N#Cc1cc(N[C@@H]2CCC[C@@H]2CO)nc2ccccc12 78364434 LLALEJKJEVCLAP-BXUZGUMPSA-N 267.332 2.679 30 40 CFEB N#CCCN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2772416 PURUQTWXRCHHOD-LICLKQGHSA-N 284.275 2.692 30 40 CFEB CCCCCCCCCNC(=O)C(=O)NCCCC 103762818 DKNGNRSFKJSPCE-UHFFFAOYSA-N 270.417 2.770 30 40 CFEB COc1ccc(Cl)cc1/C=C1/C(=O)ON=C1C 100815533 CCKFUZIXXGQHCJ-UXBLZVDNSA-N 251.669 2.665 30 40 CFEB CCCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N 10052019 BUXVSWKNXQCECB-GFCCVEGCSA-N 259.353 2.617 30 40 CFEB CCOC(C)(C)O/N=C/C=N/OC(C)(C)OCC 2285711 ZYQWTXGJHNFURA-UTLPMFLDSA-N 260.334 2.536 30 40 CFEB CCCCNC(=S)N/N=C(\C)c1ccc(OC)cc1 5119840 AJYSZMSQHHPIMT-LFIBNONCSA-N 279.409 2.683 30 40 CFEB COC[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 65473489 WZDPDTKJSFXMDG-LLVKDONJSA-N 291.351 2.502 30 40 CFEB C[C@@H](CC#N)N1CCN([C@H](C)c2cccc(F)c2)CC1 91980601 BSVCKQNSWGLWKC-UONOGXRCSA-N 275.371 2.806 30 40 CFEB N#Cc1ccccc1COC(=O)Cc1ccccc1[N+](=O)[O-] 8209753 FNURHDXPGVPOPL-UHFFFAOYSA-N 296.282 2.752 30 40 CFEB C[C@]1(O)CCCN(c2ccc(Br)cc2C#N)C1 96008551 NOUAVKMEZBWBOU-ZDUSSCGKSA-N 295.180 2.672 30 40 CFEB CC(C)[C@@H](C#N)NC(=O)/C=C/c1ccnc2ccccc12 95398314 ZWANSMMQNOWPGK-KXPUMZMLSA-N 279.343 2.912 30 40 CFEB Cn1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cn1 96812604 AFILMKYFCYZJHE-WDZFZDKYSA-N 272.279 2.608 30 40 CFEB C=CCCC(=O)NCc1csc(NC(=O)CCC=C)n1 72283667 AXFLSKRXMVSXGV-UHFFFAOYSA-N 293.392 2.630 30 40 CFEB CCc1ccccc1C(=O)NC1(C#N)CCSCC1 95975785 QQPMVDFHHVVVRB-UHFFFAOYSA-N 274.389 2.768 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1c[nH]c2ccccc12 409076205 ZNJWEJLQEAQNQX-RQZCQDPDSA-N 281.275 2.917 30 40 CFEB C=CCOc1c(Br)cc(CO)cc1OCC 35176898 GKXYHQJXQAFVDH-UHFFFAOYSA-N 287.153 2.905 30 40 CFEB [N-]=[N+]=Nc1ccc(NCCCC(=O)O)c([N+](=O)[O-])c1 98175208 FJKLYSVIGHSZRT-UHFFFAOYSA-N 265.229 2.813 30 40 CFEB N#Cc1cc(F)ccc1NCCCCn1ccccc1=O 91462745 PKFVQLFGRDYKPS-UHFFFAOYSA-N 285.322 2.751 30 40 CFEB Cn1cnc(-c2cccc(NC(=O)C3(C#N)CCCC3)c2)n1 97084761 CVFPVNMTYRGZFL-UHFFFAOYSA-N 295.346 2.505 30 40 CFEB O=C(O)c1ccccc1N/N=C/c1ccccc1O 3897355 MHNIKHICCMHCPV-OQLLNIDSSA-N 256.261 2.536 30 40 CFEB CN1C/C(=N/O)C(=O)C(C)(C)[C@H]1c1ccc(Cl)cc1 19926485 CGCKJOWMULNGNN-COOUDCDJSA-N 280.755 2.752 30 40 CFEB Cc1ccc(CN2C(=O)/C(=N\O)c3ccccc32)cc1 100141715 AXAQCZUETWYHAU-ICFOKQHNSA-N 266.300 2.720 30 40 CFEB CCCCCCCCS(=O)(=O)CC[n+]1ccccc1 100243307 PAAIFKUWZTZZCI-UHFFFAOYSA-N 284.445 2.749 30 40 CFEB N#Cc1ccccc1-c1[nH]c(C=O)nc1Br 1857794579 BSEPHHPHQCKXAF-UHFFFAOYSA-N 276.093 2.523 30 40 CFEB N#Cc1cc(F)cc(-c2[nH]c(C=O)nc2Br)c1 1857794957 ZXZNQWUGVQIHJJ-UHFFFAOYSA-N 294.083 2.662 30 40 CFEB C[C@@]1(CO)CCC[C@H]1Nc1c(F)cc(C#N)cc1F 76061183 CLJRTEFOFOWPRG-OCCSQVGLSA-N 266.291 2.799 30 40 CFEB C=CCCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 78293761 BILCJYAMACLJSX-UHFFFAOYSA-N 298.390 2.851 30 40 CFEB CN1CCCCCC(=N/O)/C(=N\O)CCCCC1 104075582 FRTSXIXTWLTUNW-DZDAAMPGSA-N 255.362 2.713 30 40 CFEB N#Cc1cccc(NC(=O)CCc2ccccc2O)c1 11372080 PASSQNSAUOCQAY-UHFFFAOYSA-N 266.300 2.835 30 40 CFEB CCOc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C#N 96004090 JYMYAJCSGMDJGF-VXGBXAGGSA-N 273.336 2.899 30 40 CFEB CCOCCC1(C/N=C(\N)N2CCC[C@@H](C)C2)CCC1 97016380 AFNXKLMBJKEYHR-CQSZACIVSA-N 281.444 2.630 30 40 CFEB CCn1c(-c2c[nH]c(C(=O)OC)c2)nc2cc(C#N)ccc21 95442614 BUNVBEPHCHJDJN-UHFFFAOYSA-N 294.314 2.710 30 40 CFEB C/C(=C\C(=O)c1ccncc1)Nc1ccc(O)cc1 408734091 IXCLLGUFLRUPQK-ZHACJKMWSA-N 254.289 2.986 30 40 CFEB COc1ccc(NC(=O)Nc2ncc(C#N)s2)cc1 56908307 FNIZJJOHYGCYCV-UHFFFAOYSA-N 274.305 2.667 30 40 CFEB CCSCC[C@H](C)N(C)C(=O)c1ccc(C#N)cn1 75381115 GXYHFRKNBJEOEP-NSHDSACASA-N 277.393 2.557 30 40 CFEB CO[C@@H](CNC(=O)C(C)(C)C#N)c1cccc(Cl)c1 81324985 MYXOPLUTNGTDON-LBPRGKRZSA-N 280.755 2.693 30 40 CFEB NNC(F)(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F 228913753 LSOMODAYVRGZAY-UHFFFAOYSA-N 298.108 2.530 30 40 CFEB CCN(CC)/C(N)=N/Cc1cccc(OC(C)C)c1 97212314 GVNGUMBVSKCOSB-UHFFFAOYSA-N 263.385 2.630 30 40 CFEB CCCCc1nc(N)c(C#N)c2c1COC(C)(C)C2 96116041 ZHNWYBQPQBGHJH-UHFFFAOYSA-N 259.353 2.729 30 40 CFEB biogenic CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)N2CCCC2)C1(C)C 103502764 OABPECDHZCEOCK-MGPQQGTHSA-N 288.391 2.556 30 40 CFEB CC/C(=N\NC(=S)NC(C)C)c1ccc(F)cc1 12614131 QHEZEKMOLKOXGX-FOWTUZBSSA-N 267.373 2.812 30 40 CFEB N#Cc1ccccc1S(=O)(=O)N[C@H]1CCc2ccccc21 10752680 TVCBYFHNFNXQEW-HNNXBMFYSA-N 298.367 2.524 30 40 CFEB N#Cc1cnn2c(/C=C/c3cccs3)ccnc12 12958602 IDUFMWUHCOVRAW-ONEGZZNKSA-N 252.302 2.833 30 40 CFEB C[C@@H]1CCC/C(=C\Nc2ccc(C(=O)O)c(O)c2)C1=O 13751689 HYLACMFUAOMQJL-NCXKZPMSSA-N 275.304 2.775 30 40 CFEB COC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6253630 NDSZIERQQKBVKA-ZETCQYMHSA-N 250.323 2.923 30 40 CFEB CC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 7389307 GDCDFRNRETUHMH-ZDUSSCGKSA-N 271.364 2.617 30 40 CFEB N#Cc1ccccc1COC(=O)[C@@H]1COc2ccccc2C1 16294485 QAMWCQWCBPBDEU-INIZCTEOSA-N 293.322 2.853 30 40 CFEB N#Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 39128515 AKLMGNCJNCCMKF-UHFFFAOYSA-N 282.324 2.750 30 40 CFEB COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1C 409111216 AWILMYFSMQJMKR-CXUHLZMHSA-N 286.291 2.753 30 40 CFEB C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C 408774534 MFLQCUZIBCOXJW-FWNMTXRZSA-N 282.752 2.578 30 40 CFEB N#Cc1ccc(N[C@H]2CCO[C@H]2c2ccccc2)nc1 96447460 IQOQQDDYIVSLKW-HOCLYGCPSA-N 265.316 2.895 30 40 CFEB NC(=S)N/N=C\c1ccc(-c2ccccc2)cc1 95832048 ZGTAYOMAARHFLW-YBEGLDIGSA-N 255.346 2.521 30 40 CFEB Cc1oc(C#N)cc1C(=O)N1CCOCc2ccccc21 281003737 KYMCZRUCBSNLQC-UHFFFAOYSA-N 282.299 2.637 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N\OC(=O)c1ccccc1 13478172 BHUGEYWWNUWAAY-DDGKQPTKSA-N 260.337 2.560 30 40 CFEB N#Cc1ccc(F)c(Cn2cc(C(F)(F)F)ccc2=O)c1 10497484 DRFYZETYWHCCCB-UHFFFAOYSA-N 296.223 2.926 30 40 CFEB O=C(C(/C=N/O)=N/Nc1ccccc1)c1ccccc1 100467996 MHKFGLILFPGZGV-MXJCQBOHSA-N 267.288 2.797 30 40 CFEB Cc1cc(NC(=O)CSCC#N)ccc1Br 40505054 MIWFIKZOFAXTIZ-UHFFFAOYSA-N 299.193 2.953 30 40 CFEB C#CCOc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1 20729210 RIYFGTUZFROLSF-CQSZACIVSA-N 299.355 2.846 30 40 CFEB CC(C)(C)N(C[C@H](C#N)CCC#N)c1nnc(S)s1 32760053 YMADSKYEKQUQMJ-VIFPVBQESA-N 295.437 2.875 30 40 CFEB Cc1c(C#N)c2ccccc2n1CC(=O)NC1CCCC1 555499 WTGJHBLUOLFMBO-UHFFFAOYSA-N 281.359 2.880 30 40 CFEB C[C@H]1C[C@H](C)CN(CC(=O)NC2(C#N)CCCCCC2)C1 22841610 HRJWPBSNQMZIQH-GJZGRUSLSA-N 291.439 2.697 30 40 CFEB N#Cc1cc(N2CCC(n3cccn3)CC2)ccc1[N+](=O)[O-] 97144685 UCRAKMATNHBNGS-UHFFFAOYSA-N 297.318 2.504 30 40 CFEB COc1ccnc(N/N=C(/c2ccc(F)cc2)C2CC2)n1 46097842 HRURXLBEJOGKGV-XMHGGMMESA-N 286.310 2.851 30 40 CFEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1cccs1 409352167 ZBSPNUWSQARSPA-AATRIKPKSA-N 287.340 2.963 30 40 CFEB CC(C)CC[C@@]1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6851353 XDECAYGGJQAZHK-QGZVFWFLSA-N 299.374 2.805 30 40 CFEB CCN(CC)C/C(O)=N/c1nnc(-c2ccco2)s1 19897380 WNSWHPDUQQNQFQ-UHFFFAOYSA-N 280.353 2.728 30 40 CFEB C[C@H](Sc1cc(C#N)ccn1)C(=O)N1CCCCCC1 71918522 BLJFNBIGZYNQDX-LBPRGKRZSA-N 289.404 2.836 30 40 CFEB N#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 98009528 JAVBEXWUGAVUDU-NXEZZACHSA-N 269.131 2.737 30 40 CFEB CC(C)N(C(=O)NCCOc1ccc(C#N)cc1)C1CC1 95408202 DEMSPKJSGLJWMA-UHFFFAOYSA-N 287.363 2.519 30 40 CFEB CN(C)c1ccc(/C=[N+](\[O-])[C@@]2(C)CCCCC2=O)cc1 2289185 OJPATVCZNXOGKG-JIHKLPAASA-N 274.364 2.584 30 40 CFEB COc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 5164258 RGBOVXWSXCIOLZ-WOJGMQOQSA-N 293.326 2.596 30 40 CFEB COc1ccc(/C(=N\O)c2cc(OC)ccc2O)cc1 16215784 LBQLHRSKEPQAPC-FOCLMDBBSA-N 273.288 2.636 30 40 CFEB O=C1c2ccccc2/C(=N\c2ccccc2)[C@H]1[N+](=O)[O-] 5515339 XDAYNRFHAYNJMV-LBFFYKKLSA-N 266.256 2.649 30 40 CFEB C=CCCCCCCCC[C@H](C(=O)O)[C@@H](O)CC(=O)O 31166421 ZFABEUFWUOOQMI-STQMWFEESA-N 286.368 2.830 30 40 CFEB biogenic,in-vitro N#Cc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(F)C3)c1 1775967283 YWGYOXNPUAMOKX-KBPBESRZSA-N 258.296 2.663 30 40 CFEB C(=N/N1CCN(c2ccccc2)CC1)\c1ccccc1 136482 XZYJPHYLXJIQNL-OBGWFSINSA-N 265.360 2.843 30 40 CFEB C#CCNC(=O)c1oc2ccc(OCC)cc2c1C 32678947 YMOWUOJWFNKIOX-UHFFFAOYSA-N 257.289 2.503 30 40 CFEB COC(=O)CSc1nc(-c2cccs2)ccc1C#N 61483 MDESTVZURZNPFN-UHFFFAOYSA-N 290.369 2.947 30 40 CFEB C#CCn1c(=N)sc2cc(Br)ccc21 11919956 QAKWJEHBDZIGQO-UHFFFAOYSA-N 267.151 2.578 30 40 CFEB Cc1ccc(NC(=O)[C@H](C#N)Cc2cccnc2)cc1 420077 YYZPHSYDHFGUKH-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(C#N)cc2F)c1 69597536 ZSOSZFJZTFBKHG-QWHCGFSZSA-N 286.354 2.942 30 40 CFEB C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccc(C#N)c1 104224898 MYYGJCNOYOREDY-GUYJKWIASA-N 266.344 2.948 30 40 CFEB CC(C)N(Cc1cnn(C)c1)Cc1cc(C#N)ccc1F 55920425 PNXZXBQIJIJPQY-UHFFFAOYSA-N 286.354 2.841 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C2CC2)n[nH]1 58153646 JMTNKGKPOKBROS-SNVBAGLBSA-N 296.330 2.565 30 40 CFEB Cc1nc(C2CC2)nc(SCCn2cccn2)c1C#N 58174518 TUWLUUCJYCVFGH-UHFFFAOYSA-N 285.376 2.523 30 40 CFEB CN1CCc2nc(N)c(C#N)c(-c3ccccc3Cl)c2C1 18222568 CYGDAVNVOYHOKM-UHFFFAOYSA-N 298.777 2.844 30 40 CFEB CCOc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1O 4897697 JVFVPRVIPMNPMD-CXUHLZMHSA-N 286.335 2.644 30 40 CFEB C=C(C)Cn1nc(Br)c(=O)c2ccccc21 84670860 UDPXUXOJNUIUFD-UHFFFAOYSA-N 279.137 2.735 30 40 CFEB N/C(=N/OCc1ccc(-n2cccn2)cc1)C1CCCC1 84615340 CXVILBKQRSEBKB-UHFFFAOYSA-N 284.363 2.851 30 40 CFEB CO[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1 95453906 ORFGGXZKXNTKJS-HOTGVXAUSA-N 298.317 2.894 30 40 CFEB CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C#N 34152891 UWCIMORHYIYCOT-UHFFFAOYSA-N 275.695 2.574 30 40 CFEB CC(C)(C#N)CCCN1CCCN(C(=O)C(C)(C)C)CC1 96445723 WAAAEILKWCPJBK-UHFFFAOYSA-N 293.455 2.897 30 40 CFEB CCOc1cccc(COC(=O)c2sccc2C#N)n1 96472971 GYLXZYGUZLORAW-UHFFFAOYSA-N 288.328 2.770 30 40 CFEB COC(=O)c1csc(NC(=O)c2sccc2C#N)c1 96473032 PJWMPQNDGWSXKV-UHFFFAOYSA-N 292.341 2.720 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1 55456110 RPLYSQMTIRXAHC-UHFFFAOYSA-N 277.323 2.784 30 40 CFEB Cc1cccc(C(=O)/C=C\Sc2nncn2C)c1 16349042 AWOIVOVGYWSREC-SREVYHEPSA-N 259.334 2.612 30 40 CFEB Fc1ccc(NC(=S)N/N=C/c2ccncc2)c(F)c1 17022845 HTZDTFARDRGVMO-CAOOACKPSA-N 292.314 2.680 30 40 CFEB Cc1ccc(/C(CCCCC(=O)O)=N/O)c(O)c1 6189873 DIRWLUKUWUENFE-SDNWHVSQSA-N 251.282 2.524 30 40 CFEB CC(=O)Nc1ccc(/C=N/N=C/c2ccco2)cc1 1709389 CYYBEHLODNYMMO-KAVGSWPWSA-N 255.277 2.691 30 40 CFEB C#Cc1cccc(NC(=O)COc2ccccc2)c1 12776880 NLPBECAXWPAHHO-UHFFFAOYSA-N 251.285 2.685 30 40 CFEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccnc1 100944435 VSGOIZMIBDTKFM-CLXYIWAZSA-N 278.315 2.823 30 40 CFEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccc2c(c1)OCO2 486965 GQNWKYNYOMYSIG-WQLSENKSSA-N 293.278 2.634 30 40 CFEB biogenic C#CCn1/c(=N/C(=O)C(C)C)sc2cccc(F)c21 100877851 IZPOPBLJPHGOOY-PEZBUJJGSA-N 276.336 2.558 30 40 CFEB CC(C)CS(=O)(=O)/N=C(\O)c1ccc2ccccc2n1 69950604 CUNGSJXONZVKNX-UHFFFAOYSA-N 292.360 2.525 30 40 CFEB O=C1C=C/C(=N\Nc2ccccc2[N+](=O)[O-])c2ncccc21 109665277 XTDWGWFYZGSLRX-LDADJPATSA-N 294.270 2.559 30 40 CFEB Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(C)o1 3320076 JMPGJURAYGVSPC-UHFFFAOYSA-N 298.298 2.564 30 40 CFEB C=CC[C@](O)(CCN1CCOCC1)c1ccc(Cl)cc1 27346170 TVUUCRALGQEQKO-INIZCTEOSA-N 295.810 2.826 30 40 CFEB COc1ccc(CNc2nnc(SCC#N)s2)cc1 13987733 YRBYERCJRYXJSM-UHFFFAOYSA-N 292.389 2.774 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N2CCCC2)n1 5642710 BHJPYVMEGQAKFX-GFCCVEGCSA-N 289.404 2.673 30 40 CFEB C[C@H](CC#N)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 66831279 OUUJVLSPNHKJFD-CYBMUJFWSA-N 295.390 2.953 30 40 CFEB C=CCn1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 9048130 VYRJBNLRKOKANW-UHFFFAOYSA-N 290.348 2.973 30 40 CFEB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1CCC#N 9418880 HGTVTJWWZHYAQS-UHFFFAOYSA-N 284.344 2.540 30 40 CFEB Cc1n[nH]c(C)c1NC(=O)CSc1cccc(C#N)c1 95412697 MQNPLWZRBWPNKR-UHFFFAOYSA-N 286.360 2.629 30 40 CFEB C[C@H](Oc1ccc(/C=N\c2cccc(O)c2)cc1)C(=O)O 408854298 BWLONDFISQJABH-MTUBTWAWSA-N 285.299 2.995 30 40 CFEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccccn2)c1O 38176947 QKWBKFITWDRUPK-VIZOYTHASA-N 292.682 2.795 30 40 CFEB CCCn1c(C#N)cc(N)c1N1C[C@H](C)C[C@@H](C)C1 225867096 MGYBPJNRHJDQCM-VXGBXAGGSA-N 260.385 2.834 30 40 CFEB COCCc1ccc(C#N)n1Cc1ccc(F)cc1 226030894 RWUCYPVYLPSEOQ-UHFFFAOYSA-N 258.296 2.736 30 40 CFEB CC(C)(C)OC(=O)N1CCC2(C=CC(=O)CC2)CC1 91302083 QAHLORULIOPMFV-UHFFFAOYSA-N 265.353 2.923 30 40 CFEB CC1(C)OB(c2ccc(C=O)c(F)c2Cl)OC1(C)C 642814406 HXAZXNIGZDFHDX-UHFFFAOYSA-N 284.523 2.591 30 40 CFEB N#Cc1cc2ccccc2o/c1=N\c1ccccc1C(N)=O 1775966533 JRKMLCVKWZNLIO-JZJYNLBNSA-N 289.294 2.636 30 40 CFEB Cc1cc2c(cc1O)C1=CC(=O)[C@@H](O)C(C)(C)[C@H]1CC2 225417037 SWKZYBLWKLLDHI-XJKSGUPXSA-N 272.344 2.616 30 40 CFEB biogenic,in-vitro COc1cccc(NC(=S)N/N=C2/C[C@@H]3CC=C[C@H]23)c1 38391317 CPPNGVBQVFPWGG-SDEJBMAPSA-N 287.388 2.934 30 40 CFEB N#Cc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 3893261 VXBLFSSJJNHHEI-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(O)cc1 43702 DLOHWMLYAYFFKK-UVTDQMKNSA-N 265.268 2.737 30 40 CFEB biogenic,in-vitro Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C#N)cn2)cc1 76068418 BBDUHRNYTDALBY-CMDGGOBGSA-N 299.355 2.674 30 40 CFEB NC1=C(c2cccc(Cl)c2)C(=O)CC12C=CC(=O)C=C2 1565659 LOUWXZGHPPJCMD-UHFFFAOYSA-N 285.730 2.664 30 40 CFEB C#C[C@@]1(OC(=O)c2ccccc2)C[C@H](C)N(C)C[C@H]1C 4011751 OASDVQSPONGSRY-JKIFEVAISA-N 271.360 2.576 30 40 CFEB N#CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 52823763 LKFGDSIMXAHLHX-UHFFFAOYSA-N 255.296 2.920 30 40 CFEB C[C@H](NC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 12559019 BBDSGOXNKZYONZ-NSHDSACASA-N 290.326 2.926 30 40 CFEB N#Cc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 12582492 LXWQUTASHSDKGA-LICLKQGHSA-N 261.288 2.881 30 40 CFEB C=CCn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O 1400243 ZWCNJAMJPQVCLG-UHFFFAOYSA-N 288.734 2.940 30 40 CFEB CC[C@](C)(C#N)NC(=O)CCn1ccc2ccccc21 58440442 GNCVTVHNIIGGNY-MRXNPFEDSA-N 269.348 2.840 30 40 CFEB CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 36397517 OICAXTFFALTMSD-UHFFFAOYSA-N 253.261 2.704 30 40 CFEB N#CC1(C(=O)NCCOC2CCCCCC2)CCCC1 71911126 KMRCRWJTADSYKN-UHFFFAOYSA-N 278.396 2.926 30 40 CFEB C[C@@H]1CCc2onc(C(=O)Nc3ccc(C#N)cc3)c2C1 20572121 OXBKONSFUBHZNZ-SNVBAGLBSA-N 281.315 2.923 30 40 CFEB N#Cc1c(O)nc(-c2cccnc2)nc1-c1ccccc1 15986948 JNDYQVCCDDLXNP-UHFFFAOYSA-N 274.283 2.783 30 40 CFEB COC(=O)COc1ccc(/C=N\c2ccccc2)cc1 408815652 XQAAOWABYSKIGN-BOPFTXTBSA-N 269.300 2.989 30 40 CFEB CCc1cc(C)n(Cc2ccc(C#N)cc2)c1C(=O)O 78405442 MSJNRDBWDISUQU-UHFFFAOYSA-N 268.316 2.977 30 40 CFEB N#CCCOCCC#CCN1CCCC[C@@H]1c1cccnc1 55382701 WFOPXJCHESDCGB-GOSISDBHSA-N 297.402 2.932 30 40 CFEB biogenic,in-vitro COc1cc(C)c(NC(=O)[C@](C)(C#N)c2ccccc2)cn1 225960878 WGQZSHKGILVITL-QGZVFWFLSA-N 295.342 2.819 30 40 CFEB N#CCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 96500929 MBXPNOWBSMHJOD-GFCCVEGCSA-N 270.254 2.602 30 40 CFEB Cc1c(Cl)ccc2c1NC(=O)/C2=N\OC1CCC1 42750332 YMNABJMIOKLMNM-UHFFFAOYSA-N 264.712 2.874 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\N=C/c2ccccc2O)c1 16919736 DYEDOYDKMXCULY-VULZFCBJSA-N 269.260 2.753 30 40 CFEB C=CCc1ccccc1OC[C@H](O)CN1CCCCC1 75550 UXGVMKSFFBJMQJ-MRXNPFEDSA-N 275.392 2.641 30 40 CFEB COc1ccc(N/N=C(\C#N)C(=N)N2CCCCCC2)cc1 70833 SKSVLXSIXFUYLH-ALKJHRAUSA-N 299.378 2.840 30 40 CFEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NCCCn1ccnc1)C2 101363483 GSQGPXLVKDFPLX-WMLDXEAASA-N 287.407 2.772 30 40 CFEB CSc1ncccc1C(=O)Nc1cccc(C#N)c1 2661826 ADVVONSFNQSCCI-UHFFFAOYSA-N 269.329 2.927 30 40 CFEB COCCN(C(=O)c1ccsc1)c1ccc(C#N)cc1 76023122 DWNNERSXWRELFL-UHFFFAOYSA-N 286.356 2.913 30 40 CFEB CCCCCCCCCC[C@@H](N)P(=O)(O)O 1720868 DFXYEKJCPVOHIO-NSHDSACASA-N 251.307 2.980 30 40 CFEB Cc1ccc(C)c(CSc2ncc(C#N)c(N)n2)c1 7046359 RQFKCBFQIBONES-UHFFFAOYSA-N 270.361 2.840 30 40 CFEB C[C@@H]1CC=C[C@H](NC(=O)OCc2ccccc2)[C@@H]1C=O 8655634 VCAXJIXICNMVTC-YUELXQCFSA-N 273.332 2.693 30 40 CFEB C#CCNC(=O)CCCC(=O)c1c(C)cc(C)cc1C 47302917 BGFAJZVCVYGMDG-UHFFFAOYSA-N 271.360 2.714 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c(C)c1 3328527 CTVMEGBCKINSJV-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB Cc1cc(C(=O)Nc2cccc(C#N)c2)c2c(C)noc2n1 14207284 UGWIMSSZSXXMCF-UHFFFAOYSA-N 292.298 2.964 30 40 CFEB C=CCNc1nc2ccc([N+](=O)[O-])cc2nc1NCC=C 4906140 NYSZZBYUAATEGJ-UHFFFAOYSA-N 285.307 2.734 30 40 CFEB CCN(/N=C/c1c(CO)cnc(C)c1O)c1ccc(C)cc1 7014957 FHKQFBXVZKRJFN-VXLYETTFSA-N 299.374 2.757 30 40 CFEB CC(C)(C)CN(CCC#N)CC(=O)N1CCCCCC1 71897242 VQEATYWGOBWPEW-UHFFFAOYSA-N 279.428 2.651 30 40 CFEB N#CC1(NC(=O)c2ccccc2Cl)CCSCC1 95440084 BBEWCLMOTAVNBA-UHFFFAOYSA-N 280.780 2.859 30 40 CFEB C=C(C)CN(CC)C(=O)NCC1(SC)CCOCC1 74737779 FCXXQKGQOMCBLK-UHFFFAOYSA-N 286.441 2.506 30 40 CFEB C=CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1 48343793 SCDUWBUBMYEKGK-UHFFFAOYSA-N 280.371 2.974 30 40 CFEB COc1ccccc1C(C)(C)CNC(=O)c1cc(C#N)c[nH]1 97212819 DCYAXKXVCVACTO-UHFFFAOYSA-N 297.358 2.603 30 40 CFEB C=C(Cl)CN(C)Cc1cc(C(=O)OC)c(C)o1 53442684 DQWKUXSHTJGJEY-UHFFFAOYSA-N 257.717 2.559 30 40 CFEB COC1=C/C(=N/Br)C=C/C1=N\Br 17823465 JWIJZVGXGSQZDI-YOYBCKCWSA-N 293.946 2.588 30 40 CFEB Fc1ccccc1/C=N/[C@H]1C=CCc2nsnc21 5583485 HUYJIDQSCIAOKJ-UXYFDLPDSA-N 259.309 2.950 30 40 CFEB C=C(C)CSc1nnc(N2CCCC2)n1C1CC1 40485812 KCGROGPVMZEQHD-UHFFFAOYSA-N 264.398 2.881 30 40 CFEB CCCCCCCCCCN1C[C@@H](O)C[C@@H]1C(=O)O 2522503 XBCGWWQLHODWNX-UONOGXRCSA-N 271.401 2.647 30 40 CFEB C=CCOc1c(Cl)cc(CN[C@H](CC)CO)cc1OC 6542127 SSFPRELBGVNMAN-GFCCVEGCSA-N 299.798 2.774 30 40 CFEB Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)o1 103504252 GVNOVZNEGBPSSC-BOLDSZDNSA-N 294.310 2.949 30 40 CFEB Cn1c2ccccc2n2c3cccc(F)c3c(=O)c(C#N)c12 57991742 VIFWTFLAUBPLEO-UHFFFAOYSA-N 291.285 2.955 30 40 CFEB C=CCNc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 103781577 ANASJBUORGZFPK-UHFFFAOYSA-N 296.239 2.626 30 40 CFEB C=CCN(CC=C)C(=S)NC(=O)/C=C/c1ccccc1 2136568 OSOLPFYHJPJURC-ZHACJKMWSA-N 286.400 2.775 30 40 CFEB C=CCOc1ccccc1CNC1CCN(CC)CC1 37976766 YRZGLEWPBXKXLW-UHFFFAOYSA-N 274.408 2.825 30 40 CFEB CCn1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cn1 6490293 HPEGHBALLNOXST-HYXAFXHYSA-N 284.315 2.570 30 40 CFEB Cc1ccccc1NCC(=O)Nc1cccc(C#N)c1 15085279 FGEDZUPUIIJCIL-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB COc1ccc(Nc2ccc(C#N)cn2)cc1NC(C)=O 24214500 VTPBAMWAZBQVTL-UHFFFAOYSA-N 282.303 2.664 30 40 CFEB Cn1cc([C@H](Nc2ccc(C#N)cn2)C(C)(C)C)cn1 95409787 HGMYQZALPUTGSL-AWEZNQCLSA-N 269.352 2.886 30 40 CFEB C=CCn1c(C(=O)O)cc2c(OC)cc(OC)cc21 72226012 PMQJWNFKEZVNMN-UHFFFAOYSA-N 261.277 2.543 30 40 CFEB Cc1ccnc(N2CCC[C@@H]2[C@@H]2CCCOC2)c1C#N 521867272 HDZWCVRJSSGWPF-UKRRQHHQSA-N 271.364 2.657 30 40 CFEB CC(C)(C)OC(=O)N[C@H](C#N)c1ccc(F)cc1 36379862 KQBSNWWWJORUED-LLVKDONJSA-N 250.273 2.915 30 40 CFEB CN(C)c1ccc(/C=N\Nc2cccc(C(=O)O)c2)cc1 33387767 VJJXVBDYMKJSQJ-BOPFTXTBSA-N 283.331 2.897 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 96404922 TVXXYOGPMYHJOS-ZIAGYGMSSA-N 289.356 2.859 30 40 CFEB C[C@H](NCCO[C@@H]1CCCCO1)c1ccc(C#N)cc1F 390835850 ZYUYXEAVUDLAOC-BLLLJJGKSA-N 292.354 2.891 30 40 CFEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Sc1ncccn1 3218595 HICPGXLIAWSNCH-AATRIKPKSA-N 287.300 2.717 30 40 CFEB N#C[C@@H](C(=O)N1CCCCC1)C(=S)Nc1ccccc1 523475 RDXJWYGZRBFVMD-CYBMUJFWSA-N 287.388 2.578 30 40 CFEB CC1CCN(c2nnc(S[C@H](C)C#N)n2C2CC2)CC1 11985552 ZRGZDZOZWYLUSW-LLVKDONJSA-N 291.424 2.853 30 40 CFEB N#Cc1ccc(C(=O)O)nc1/C=C/c1cccc(F)c1 31732951 JKFQVJMLQXEIKI-GQCTYLIASA-N 268.247 2.961 30 40 CFEB N#Cc1ccc(C(=O)NCCSC(F)(F)F)cc1 40539087 XPGIALXBNGQZCF-UHFFFAOYSA-N 274.267 2.541 30 40 CFEB CCOC(=O)C[n+]1ccccc1/C=C\c1ccccc1 4895949 VRBVXJNHRDVAOZ-QXMHVHEDSA-N 268.336 2.708 30 40 CFEB CCn1cc(C(=O)/C=C/c2cc(OC)cc(OC)c2)cn1 58224864 GIBOHPDWUMFQGP-AATRIKPKSA-N 286.331 2.816 30 40 CFEB COc1ccccc1CN/N=C(\C)c1ccc(O)cc1 20762353 KTAAIVUMEGCCIZ-LDADJPATSA-N 270.332 2.915 30 40 CFEB CN(Cc1ccco1)C(=O)CCc1ccc(C#N)cc1 10746397 DECKVTRLYDHDKT-UHFFFAOYSA-N 268.316 2.742 30 40 CFEB O=C(/C=C/N1CCCCC1)C(F)(F)C(F)(F)F 5612864 ISKMEVRBDHPETN-QPJJXVBHSA-N 257.202 2.753 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(F)cc2C#N)c1 71882177 OTHYNAIXDCQAKA-QWHCGFSZSA-N 286.354 2.942 30 40 CFEB N#Cc1ccc(CN2CCCN(c3nccs3)CC2)cc1 71873529 CERJYHLLGUUDDU-UHFFFAOYSA-N 298.415 2.727 30 40 CFEB C#CCNC(=O)N(CC)Cc1cccc(-c2ccncc2)c1 84777538 TWFWHDWMFLQZTH-UHFFFAOYSA-N 293.370 2.913 30 40 CFEB C=CCN(Cc1cccc(OC)c1)S(=O)(=O)C(C)(C)C 95993955 AZKVQDYVELEOPD-UHFFFAOYSA-N 297.420 2.812 30 40 CFEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccco1 33304918 MLONFNWIFHXXOY-VBKFSLOCSA-N 273.288 2.904 30 40 CFEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N(C)Cc1nonc1C)C2 19559070 LZAKFPMRKUVBHJ-MLGOLLRUSA-N 289.379 2.719 30 40 CFEB C/C(Cn1nc(C)cc1C)=N\OCc1ccc(C#N)cc1 40554243 ZBSDJTILUKNJPG-CPNJWEJPSA-N 282.347 2.964 30 40 CFEB N#Cc1c2c(n3c1[nH]c(=O)c1ccccc13)CCCC2 1609254 ZEUNMYZIGLCIPK-UHFFFAOYSA-N 263.300 2.531 30 40 CFEB CCCCCCCCCNC(=O)C(=O)NCC(C)C 103754034 ADQAYGZCGLEZDG-UHFFFAOYSA-N 270.417 2.625 30 40 CFEB N#CCN(CC#N)C(=O)CCSc1cccc(Cl)c1 69811634 BYUGGJWISQMBTF-UHFFFAOYSA-N 293.779 2.698 30 40 CFEB O=S(=O)(O/N=C1/CCCc2occc21)c1ccccc1 6241552 KDYZIRNIGWFEKL-SQFISAMPSA-N 291.328 2.726 30 40 CFEB Cc1cccc(NCC(=O)NC2(C#N)CCCC2)c1C 15288668 ANTLGVZGVROXGJ-UHFFFAOYSA-N 271.364 2.668 30 40 CFEB CC1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 7005020 FHCWEJBABLOOKQ-CYBMUJFWSA-N 272.348 2.584 30 40 CFEB CN(C[C@H]1CCOC1)c1ccc(Br)cc1C#N 96008496 QHWKLGQGDWTLOH-SNVBAGLBSA-N 295.180 2.793 30 40 CFEB CCN(C(=O)[C@@H]1OCC[C@H]1C)c1ccc(C#N)c(Cl)c1 91207023 NPJJIXAQXLDUGH-QMTHXVAHSA-N 292.766 2.990 30 40 CFEB CCN(C(=O)c1cncc(F)c1)c1ccc(C#N)cc1 97021018 QSESIRDUDSRJAA-UHFFFAOYSA-N 269.279 2.759 30 40 CFEB N#CC1(NC(=O)/C=C/c2ccc(Cl)cc2)CCOCC1 72286082 HHDURTHOOGVCMG-ZZXKWVIFSA-N 290.750 2.542 30 40 CFEB C/N=C(/NCCc1cccs1)N1CCc2ccccc2C1 72271837 VWRRFSDIGCNJEV-UHFFFAOYSA-N 299.443 2.924 30 40 CFEB COc1ccc(C#N)cc1CN(C)C1CCC(CO)CC1 89923845 KPNUFKZFLISPSU-UHFFFAOYSA-N 288.391 2.550 30 40 CFEB CCN(CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 44572483 YFBSUNLSRNHJBF-LLVKDONJSA-N 276.340 2.609 30 40 CFEB Cn1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)cn1 96424783 GXAWEHSCNFSOPD-QPJJXVBHSA-N 292.285 2.960 30 40 CFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 96039594 LJDVDWAGLWQZMJ-SJORKVTESA-N 291.391 2.853 30 40 CFEB Cc1nc(-c2cccc(NC(=O)CC#N)c2)cs1 119796869 SRXUDRVCWPEJKG-UHFFFAOYSA-N 257.318 2.971 30 40 CFEB N#Cc1c(Br)nsc1Br 137450362 VTCXYDUMNATXHJ-UHFFFAOYSA-N 267.933 2.540 30 40 CFEB N#Cc1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 6127766 ZUZFGUATSKBDGP-UHFFFAOYSA-N 286.718 2.890 30 40 CFEB CC(=O)/C(C)=C/[C@H](C)c1ccc(CO)cc1/C=C/CO 1772591163 JUZMDKSAXILSNM-QVQGQPGASA-N 274.360 2.823 30 40 CFEB C=C(C)Cn1ccn2nc(-c3cccs3)cc2c1=O 1888962460 QDPHIJRCRKXBFR-UHFFFAOYSA-N 271.345 2.801 30 40 CFEB Cc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 31107446 APVQWXSHPYPDGU-UHFFFAOYSA-N 250.301 2.797 30 40 CFEB Cc1c(CNCCc2ccccc2F)cc(C#N)n1C 40464608 JTYBXAUGWVNYOG-UHFFFAOYSA-N 271.339 2.677 30 40 CFEB CCCCCCCC(=O)Nc1ncnc2nc[nH]c12 1713243 BCHNDUIHZPOJOY-UHFFFAOYSA-N 261.329 2.652 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)nc1 79000697 SUNHDQWGUHDRDO-UHFFFAOYSA-N 289.298 2.596 30 40 CFEB CCn1c(SCCC#N)nnc1-c1ccccc1OC 3433606 BMAOQHXYBOLXNW-UHFFFAOYSA-N 288.376 2.979 30 40 CFEB CCCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 102983985 QDVREVGPHKHGRV-CYBMUJFWSA-N 258.321 2.914 30 40 CFEB O=C1C=C/C(=N/Nc2ccc(F)cc2)c2cccnc21 102956067 BZCXKKVRKNUSQU-UYRXBGFRSA-N 267.263 2.789 30 40 CFEB Cc1cc(C)nc(S[C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)n1 100965122 VMFVXFIGYNQUBM-YELGYKAJSA-N 263.366 2.814 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1 12527437 SGRUIWRTEDTDDV-UHFFFAOYSA-N 286.281 2.997 30 40 CFEB Cc1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1 3238785 UUVXKOXLIGBASI-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB Cn1c(SCCC#N)nnc1-c1ccc(F)cc1 3386044 XCACFQXBWZSBHB-UHFFFAOYSA-N 262.313 2.627 30 40 CFEB N#CCN(C(=O)CCc1ccccc1Cl)C1CC1 58282886 LMEXWCINAWSFMB-UHFFFAOYSA-N 262.740 2.787 30 40 CFEB CCOc1ccc(C(=O)C[n+]2ccc(CC)cc2)cc1 18191531 BAALUHKCZGMQRI-UHFFFAOYSA-N 270.352 2.818 30 40 CFEB CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 88191926 VABVRQCTKQZCAB-UHFFFAOYSA-N 257.215 2.718 30 40 CFEB N#Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)nc1 89768187 PSNNOACUFPCRQW-UHFFFAOYSA-N 296.305 2.919 30 40 CFEB COc1c(C)cc(C)cc1B1OC(C)(C)C(C)(C)O1 307154100 CNGLXDRHDJRHKZ-UHFFFAOYSA-N 262.158 2.611 30 40 CFEB C=CCOc1cc(O)c(C=O)cc1Br 72219738 HRQXKKPWOIKKCN-UHFFFAOYSA-N 257.083 2.532 30 40 CFEB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C#N)cc1 36391128 JBFJDOADTPQPKI-BBRMVZONSA-N 286.375 2.883 30 40 CFEB Cc1csc([C@H](Nc2nccnc2C#N)C2CC2)n1 78381439 SPCIGFZFKYTQPR-LLVKDONJSA-N 271.349 2.676 30 40 CFEB CC(=O)C(C(C)=O)=C1Nc2cc(Cl)ccc2O1 40545706 ZSQPNZZTMWWMDC-UHFFFAOYSA-N 251.669 2.534 30 40 CFEB CCCCCCCCCCCCNC(=N)NC(=N)N 95832083 KOUTYMWBZYMGBR-UHFFFAOYSA-N 269.437 2.915 30 40 CFEB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1cccc(C#N)c1 95252488 QEQGNEIRGZCXHP-OKZBNKHCSA-N 283.419 2.768 30 40 CFEB biogenic,in-vitro C=CCn1c(C)nnc1SCCc1ccccn1 61716526 DDEASLMBFAOMMA-UHFFFAOYSA-N 260.366 2.502 30 40 CFEB Cc1ccc2c(c1)/C(=N\O)C(=O)N2Cc1ccccc1 100819545 OWJNQMBMCSDMPO-BMRADRMJSA-N 266.300 2.720 30 40 CFEB C#CCNC(=O)c1ccc(C2SCCCS2)cc1 21903375 GCCDLNCDTOVQSQ-UHFFFAOYSA-N 277.414 2.918 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1ccc(OC)c(C)c1 97141418 OPSRLRFBNXKBTL-NSHDSACASA-N 261.325 2.817 30 40 CFEB CCn1c(S[C@@H](C)C#N)nnc1-c1ccccc1OC 3401326 WVOUKDTUMGJBCQ-JTQLQIEISA-N 288.376 2.978 30 40 CFEB Cc1cnc(C)c(N(C)/N=C(\S)Nc2ccccc2)n1 8685069 YWOZYOCRBNFABL-UHFFFAOYSA-N 287.392 2.843 30 40 CFEB O=[N+]([O-])c1cc(/C=N/Cc2ccccc2)ccc1O 4739424 NVEIZUCNWVQRJC-XNTDXEJSSA-N 256.261 2.920 30 40 CFEB C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 72272051 XYBJBDJCOSOAKN-NWDGAFQWSA-N 280.393 2.788 30 40 CFEB CN(CCOc1ccccc1C#N)Cc1ncc(C2CC2)o1 89346404 VCSBNOPJKALKIF-UHFFFAOYSA-N 297.358 2.934 30 40 CFEB CCOc1ccc(NC(=O)C2(OC)CCCC2)c(C#N)c1 225804331 IPGTVAMXNFHUCS-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB Cc1cccc(Cn2nc(C(C)(C)C)c(C#N)c2N)c1 225844826 YWYUGQUKBRVSQB-UHFFFAOYSA-N 268.364 2.991 30 40 CFEB C#Cc1cccc(OCC(=O)c2ccccc2[N+](=O)[O-])c1 199744018 WJZKSEMCPQLADV-UHFFFAOYSA-N 281.267 2.838 30 40 CFEB CCC/C(CC)=N/NS(=O)(=O)c1ccc(C)cc1 5048922 HWIYBDSNQIAUCU-WYMLVPIESA-N 268.382 2.839 30 40 CFEB CCC[C@H]1O[C@]23CCCC[C@@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 5686239 QSYAOBUMIKSMLP-MPTQWLOMSA-N 298.346 2.623 30 40 CFEB O=S(=O)(c1ccccc1)[C@H]1CCC=CCC/C1=N\O 16491011 IRKKJECKTPKWME-YUMZSAIASA-N 279.361 2.789 30 40 CFEB O=[S@@](O)/C(=N/Cc1ccccc1)NCc1ccccc1 4628992 LWUBJMAOXMTUOQ-UHFFFAOYSA-N 288.372 2.554 30 40 CFEB N#CCCN(CC(F)(F)F)C(=O)c1ccsc1 76092215 NALFNSKNZNPIFH-UHFFFAOYSA-N 262.256 2.666 30 40 CFEB C#CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 69534467 RIIFFBRSINBRLM-UHFFFAOYSA-N 276.295 2.714 30 40 CFEB C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C#N)C1 3300117 BEXLGWCKMIQXOC-LBPRGKRZSA-N 291.358 2.997 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1scnc1C 41699445 CLAARQUOIYZBBK-OQLLNIDSSA-N 275.333 2.986 30 40 CFEB CC[C@@H](C)/N=C(/N)SCCOc1ccccc1 47844008 WPLKOIOXGHJIDP-LLVKDONJSA-N 252.383 2.912 30 40 CFEB in-vitro N#CCN(C(=O)c1ccc(Br)cc1F)C1CC1 58290219 ZQIOLMHNBDTVLQ-UHFFFAOYSA-N 297.127 2.716 30 40 CFEB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1C#N)C2=O 3375971 SOIZEVXSILTZTP-SJCJKPOMSA-N 297.358 2.559 30 40 CFEB Cc1noc(CNc2cc(C#N)ccc2OC(C)C)n1 49066474 DJBHOELLLQVKAO-UHFFFAOYSA-N 272.308 2.649 30 40 CFEB C=CC[C@@H]1S/C(=N/N=C/c2ccccc2Cl)NC1=O 5613158 HKNRHFLCEZOVKL-UXYFDLPDSA-N 293.779 2.838 30 40 CFEB N/C(=N\O)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1 117577157 PQENWJOJAISMNW-UHFFFAOYSA-N 297.236 2.742 30 40 CFEB Cc1cccc(Cn2nc(C3CC3)c(C#N)c2N)c1 225844848 PFOMDMXWKWIMDZ-UHFFFAOYSA-N 252.321 2.571 30 40 CFEB CC(C)(C#N)C(=O)OCc1cnc(-c2cccs2)o1 96416259 BQZUBGVSECVVJY-UHFFFAOYSA-N 276.317 2.996 30 40 CFEB COc1cccc(N/N=C2/C=CC(=O)c3ncccc32)c1 100373552 RFKVMWZULGCCMJ-RGEXLXHISA-N 279.299 2.659 30 40 CFEB Cc1c(/C=C/[N+](=O)[O-])c(O)n2c(nc3ccccc32)c1C#N 3079676 NBWKWBUZHCHZTC-VOTSOKGWSA-N 294.270 2.621 30 40 CFEB COc1ccc(O)c(/C=N/c2ccccc2C(=O)O)c1 3122930 HUSPWKOXCCTBDN-CXUHLZMHSA-N 271.272 2.850 30 40 CFEB C/C(=N\O)[C@H](C)n1c(C)c(C)[n+]([O-])c1-c1ccccc1 5535662 IPBDUEXYXYPBRX-YAFRSCOQSA-N 273.336 2.816 30 40 CFEB CO[C@H]1C[C@@H]2C[C@@H]1[C@H](OS(=O)(=O)c1ccc(C)cc1)C2 100401342 YEYBRTMMOJKDHE-CYUUQNCZSA-N 296.388 2.514 30 40 CFEB C=C1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1 618257184 QZGVPYXGXYHJOM-UHFFFAOYSA-N 273.332 2.573 30 40 CFEB C=CCn1c(S)nc2c(-c3ccccc3)cn(C)c2c1=O 100071645 DOECDIJSQRWAQS-UHFFFAOYSA-N 297.383 2.877 30 40 CFEB CN1C(=O)/C(=N\c2ccc(CC#N)cc2)c2ccccc21 100260091 LZBMOBDUSSZLOB-MNDPQUGUSA-N 275.311 2.850 30 40 CFEB O=CC[C@@H]1CCCCN1C(=O)OCc1ccccc1 2527173 FSPPNBAJRZTJGR-AWEZNQCLSA-N 261.321 2.767 30 40 CFEB CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccc(C)cc1 3106626 XFNBAKFZQPIDIU-UHFFFAOYSA-N 269.300 2.983 30 40 CFEB C[C@@H](CCc1ccco1)NC(=O)COc1ccccc1C#N 57577816 UNJXAZDRGMGNIQ-ZDUSSCGKSA-N 298.342 2.668 30 40 CFEB N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1 10233967 YOZOJZNSTXDFEB-UHFFFAOYSA-N 251.289 2.525 30 40 CFEB CCOc1ccc(NC(=O)COc2ccccc2C#N)cc1 3445530 LJTOBHVZLBZFQA-UHFFFAOYSA-N 296.326 2.974 30 40 CFEB C=CCNC(=S)N/N=C/C(C)=C/c1ccccc1 7011331 LSWPFDHVRAEICP-SKZWUVKFSA-N 259.378 2.726 30 40 CFEB N#C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1F 68402185 LBMAFGZSXLHVMW-VIFPVBQESA-N 278.180 2.598 30 40 CFEB CC[C@H](C#N)NC(=O)c1ccc(OCC2CC2)cc1 69462844 VAWGGXJHMYTLAY-CYBMUJFWSA-N 258.321 2.507 30 40 CFEB C=C(Cl)CN1CCCN(C(=O)c2cccs2)CC1 71902320 WNEFKVGJIQOBEP-UHFFFAOYSA-N 284.812 2.649 30 40 CFEB CC(C)n1cccc1C(=O)OCC1(C#N)CCOCC1 97056701 SOGQQFDZPMAEMO-UHFFFAOYSA-N 276.336 2.546 30 40 CFEB CCOc1cc(C)ccc1NC(=O)NC[C@H](C)C#N 75109174 LTDHQMBWLBDZCU-LLVKDONJSA-N 261.325 2.675 30 40 CFEB N#Cc1cncc(NC[C@@H](c2cccs2)N2CCCC2)n1 521394843 VATBKFGEVXHVSP-ZDUSSCGKSA-N 299.403 2.659 30 40 CFEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 40285809 OUSLUTDIEQDRKP-INIZCTEOSA-N 290.326 2.777 30 40 CFEB CCS(=O)(=O)C/C(=N/O)c1ccc(Cl)cc1Cl 96524465 GOTMHIAEQXOSBL-RAXLEYEMSA-N 296.175 2.606 30 40 CFEB N#CC1(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCC1 98013233 XSARHAMAKPYLPE-PWSUYJOCSA-N 276.286 2.631 30 40 CFEB SCCSC[C@@H](CS)SCCS 113178584 CEUQYYYUSUCFKP-SSDOTTSWSA-N 260.540 2.611 30 40 CFEB CO[C@@H]1[C](O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 1560406246 WCZKZTDAGBBOFC-SUJAAXHWSA-N 281.372 2.599 30 40 CFEB CC[C@@](C)(C#N)NC(=O)Cc1c(F)cccc1Cl 40357497 GYYWXCJDPQDYSF-ZDUSSCGKSA-N 268.719 2.830 30 40 CFEB CCCN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 40161512 PKEQDWUFGNNKNI-UHFFFAOYSA-N 299.418 2.851 30 40 CFEB CCOC(=O)/C(C#N)=N/Nc1cccc(Cl)c1C 54660 JLTKZFXEXVXEDJ-LFIBNONCSA-N 265.700 2.503 30 40 CFEB Cc1ccc(OCc2nnc(S[C@@H](C)C#N)o2)cc1 31621823 WWQWQCPHIFQPSX-JTQLQIEISA-N 275.333 2.961 30 40 CFEB CC[C@@H](C#N)NC(=O)CCNc1cc(Cl)ccc1OC 69453014 NDCVFEAFRCVTBQ-NSHDSACASA-N 295.770 2.569 30 40 CFEB N#C[C@H](C(=O)c1ccsc1)c1nnc2n1CCCCC2 41509100 PNTLRCSJTXPGCQ-LLVKDONJSA-N 286.360 2.556 30 40 CFEB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 517302 SLAKKDBPHYOCQW-ZDUSSCGKSA-N 299.370 2.942 30 40 CFEB biogenic N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 107335497 DBONCZZEYZBHRG-JURCDPSOSA-N 288.391 2.580 30 40 CFEB Cc1ccc([N+](=O)[O-])cc1/N=C1/C(=O)Nc2ccccc21 18106610 WXYIUYJQWSBELW-UHFFFAOYSA-N 281.271 2.976 30 40 CFEB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncccc1C#N 72276534 FJBQJHOFXOAQHZ-CQSZACIVSA-N 281.363 2.645 30 40 CFEB C=C1C=C[C@@H]2C[C@@]1(C)CN2S(=O)(=O)c1ccccc1 45069662 HLNFFHFBPOFRJT-HIFRSBDPSA-N 275.373 2.582 30 40 CFEB C=CCOCCCC(=O)N[C@@H]1CSc2ccccc21 95403581 LTLRXTXIIJJTAJ-CYBMUJFWSA-N 277.389 2.932 30 40 CFEB CN(CCCNc1ccc(C#N)cn1)c1ccccc1 19471092 HCDNLQYTLXTXTB-UHFFFAOYSA-N 266.348 2.892 30 40 CFEB CCN(CC)[P+](C)(c1ccncc1)N(CC)CC 5568041 DJOJHMLYTWDWTH-UHFFFAOYSA-N 268.365 2.868 30 40 CFEB Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)s1 16363449 SAZVLMYTXMWSCA-UHFFFAOYSA-N 278.318 2.778 30 40 CFEB COc1nc(N)c(C#N)c(-c2ccc(SC)cc2)c1C#N 19152642 HXLRUZNIFLTTQX-UHFFFAOYSA-N 296.355 2.805 30 40 CFEB CC(C)(C)/N=C1\NC(=O)N(C(C)(C)C)[C@@H]1NC(C)(C)C 19958504 NMNFONWSEMOPKM-NSHDSACASA-N 282.432 2.721 30 40 CFEB N#Cc1ccc(CSc2nnnn2-c2ccccc2)cc1 35055 IEIVDVSPKXNBMW-UHFFFAOYSA-N 293.355 2.826 30 40 CFEB Cc1cccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1C 30284340 BCGCGEXAYBYMCX-INIZCTEOSA-N 271.364 2.524 30 40 CFEB CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 570377 LQFCRJHEQDKNGL-SSDOTTSWSA-N 293.417 2.577 30 40 CFEB C(=N/c1ccc(N2CCOCC2)cc1)\c1cccnc1 438418 FWAGFFZHQVNKLK-QGOAFFKASA-N 267.332 2.669 30 40 CFEB C=CCN1C(=O)C(C)(C)COc2cc(NC(C)=O)ccc21 8736238 AVPCJCXVBDZXCT-UHFFFAOYSA-N 288.347 2.583 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 55514576 OUUAKWSFPVVVQU-MRXNPFEDSA-N 277.327 2.931 30 40 CFEB Cc1csc(N/C=C2/C(=O)Oc3ccccc3C2=O)n1 102628178 GYFYIEYONZNUCW-UXBLZVDNSA-N 286.312 2.549 30 40 CFEB Cc1noc(C)c1COC(=O)c1ccc(C#N)cc1 3320879 SOMGPFARQMCWOI-UHFFFAOYSA-N 256.261 2.520 30 40 CFEB N#CCCC(=O)c1cccc(I)c1 2392827 CKSDLTRSGREVTG-UHFFFAOYSA-N 285.084 2.778 30 40 CFEB N/C(=N/OCc1ccccc1C(F)(F)F)c1cccnc1 63456647 FNFLLXDETJWFHJ-UHFFFAOYSA-N 295.264 2.938 30 40 CFEB N#Cc1cccc(NC(=O)CSc2ncccc2C#N)c1 7051488 PTJRLVKTXDSNCF-UHFFFAOYSA-N 294.339 2.556 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C/C(C)=C/c2ccccc2)C1=O 8074967 XOCHBCUXWUJXFH-UAKQAIJXSA-N 285.347 2.796 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CN[C@H]1CCCc2ccccc21 96012797 HSEFGXWICYWRAI-YOEHRIQHSA-N 299.418 2.662 30 40 CFEB CC(=O)c1ccc(C(=O)[C@H](C#N)c2ccc(F)cn2)cc1 97084276 PZESYPBCFKJLQN-CQSZACIVSA-N 282.274 2.913 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)c1ccccc1F 73838480 NKCMMYKIEHAUPK-UHFFFAOYSA-N 273.329 2.649 30 40 CFEB C=CCN(CC=C)C(=O)NCc1nc(C)c(C)s1 74919229 DBILBNCSFLJUMA-UHFFFAOYSA-N 265.382 2.644 30 40 CFEB Cc1ccc(CSc2nc(C)c(C#N)c(N)n2)cc1 225891151 HJVLXWFVCNWJOH-UHFFFAOYSA-N 270.361 2.840 30 40 CFEB N#CC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 95532256 QQRKIWOCTUQUQS-HNNXBMFYSA-N 276.295 2.938 30 40 CFEB CC(C)c1[nH]ccc1/C(O)=N/C[C@@](C)(O)C(F)(F)F 330597898 FFODRFCTBPDKAS-LLVKDONJSA-N 278.274 2.756 30 40 CFEB C=CCOC[C@H](O)CN(CCC(C)C)CCC(C)C 5715780 QMEDGJADQMETLG-MRXNPFEDSA-N 271.445 2.944 30 40 CFEB C=CCOc1ccc(CNC[C@@H]2CCCOC2)cc1 38044428 KUIHVQYTUVWPHJ-HNNXBMFYSA-N 261.365 2.768 30 40 CFEB N#Cc1cnc(N2CC[C@@H](c3ccccn3)C2)c(Cl)c1 798418028 YQXVDFWTYWUIBJ-GFCCVEGCSA-N 284.750 2.996 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C(=O)O1 21475696 XUCGYWMEZZRXCD-BTKRWWFXSA-N 290.702 2.568 30 40 CFEB CC(C)(C)CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 78380225 PHQKXAWAVFZMCW-LLVKDONJSA-N 274.368 2.617 30 40 CFEB COC(=O)C[C@H](C)SCc1cc(C#N)ccc1F 78814944 INPDQHWTTYOKAR-VIFPVBQESA-N 267.325 2.882 30 40 CFEB CCc1c(C)c(C#N)c2[nH]c3cc(C)ccc3n2c1=O 3155866 SJDLGUWBDLGVJF-UHFFFAOYSA-N 265.316 2.832 30 40 CFEB C=C[C@]12c3c4cc(OC)cc3O[C@H]1[C@@H](O)CC[C@@H]2CC4 4972535 TUGLWPQTLHFOHH-SCTFDZSOSA-N 272.344 2.597 30 40 CFEB N#Cc1ccccc1CN1CCO[C@H]2CCCC[C@@H]21 42251319 SXQXYOWYQDTBAX-HOTGVXAUSA-N 256.349 2.702 30 40 CFEB CC(C)c1nc([C@H]2CCCN2C[C@@H](C#N)CCC#N)no1 107047082 HFPHQXGNGYJDEN-CHWSQXEVSA-N 287.367 2.773 30 40 CFEB O=CC[C@H]1CCCCN1C(=O)OCc1ccccc1 51971018 FSPPNBAJRZTJGR-CQSZACIVSA-N 261.321 2.767 30 40 CFEB C[C@@H]1O[S@@](=O)OC1(c1ccccc1)c1ccccc1 6670386 ACONWRLGPDTDKX-BUXKBTBVSA-N 274.341 2.944 30 40 CFEB N#CCCN1CC[C@@H](OCCCc2ccccc2)C1 84528612 RKUKBJGDRBYWLS-MRXNPFEDSA-N 258.365 2.624 30 40 CFEB CC(=O)Oc1c(C#N)cc(Cc2ccccc2)cc1[N+](=O)[O-] 30714723 LICRZQFCRDQWQR-UHFFFAOYSA-N 296.282 2.983 30 40 CFEB Cc1cc(C(=O)Nc2ccccc2C#N)c2c(C)noc2n1 36614111 YUFHIHBEASETBL-UHFFFAOYSA-N 292.298 2.964 30 40 CFEB CC(C)(C)c1nn(Cc2ccc(F)cc2)c(N)c1C#N 225842448 XFEYJBWWVBUGQC-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB CC[C@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 89229007 UEEHKOIVROOWTK-ZDUSSCGKSA-N 259.305 2.890 30 40 CFEB N#Cc1cc(N)c(N2CCCCCC2)n1C[C@@H]1CCCO1 225872525 UCCTXFOTPGEJDD-AWEZNQCLSA-N 288.395 2.501 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)c1cccc2cc[nH]c12 97372402 LGCFDFQXFGDMDB-VIFPVBQESA-N 280.349 2.601 30 40 CFEB N#Cc1cnn(C(=O)CCc2ccc3ccccc3c2)c1N 57556817 ZLYSFFXOMXIQCN-UHFFFAOYSA-N 290.326 2.763 30 40 CFEB CCc1nnc(Oc2cccnc2)c(C#N)c1CC 95411809 ZTORKIVYPZHTIV-UHFFFAOYSA-N 254.293 2.660 30 40 CFEB O=c1[nH]c(Cl)c(/C=N\Nc2ccccc2)s1 16490203 AOAYMJFCNMGWFR-SDQBBNPISA-N 253.714 2.536 30 40 CFEB CSc1nncn1/N=C/c1cc(Cl)ccc1F 255284 UENQFLNHKIARSR-LHHJGKSTSA-N 270.720 2.675 30 40 CFEB O=S(=O)(OCC1C2CCC1CC2)c1ccccc1 1664371 ODQVJDJGMNKVRY-UHFFFAOYSA-N 266.362 2.828 30 40 CFEB C=C(Br)Cn1nc(-c2ccccc2)ccc1=O 78747962 SCJBDMKHAMJNMX-UHFFFAOYSA-N 291.148 2.819 30 40 CFEB N#Cc1ccccc1NC(=O)COC(=O)C1CCCCC1 3253625 SYTQSWDELANGIO-UHFFFAOYSA-N 286.331 2.620 30 40 CFEB C[C@@H](C#N)Sc1nnc(S[C@H](C)C#N)s1 12695196 JCZFJCAACUMSMF-OLQVQODUSA-N 256.381 2.546 30 40 CFEB N#CCCN1CCN(C(=O)c2cccc3ccccc23)CC1 27890584 CARWRHRTUJPKME-UHFFFAOYSA-N 293.370 2.511 30 40 CFEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccs1 20638111 PHHDETKFLNKIQW-TVQRCGJNSA-N 294.339 2.779 30 40 CFEB N#Cc1ccc(NC(=O)NCc2cccnc2)cc1Cl 48325174 ZSAOBYGVXWGKKG-UHFFFAOYSA-N 286.722 2.928 30 40 CFEB N#Cc1cccc(C(=O)c2cccc(CN3CCC3)c2)c1 2515108 FZCLWIAUQDOVFB-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12983396 DHUZXSMHDDQOBL-HNNXBMFYSA-N 290.322 2.732 30 40 CFEB Cc1c(/N=N/c2ccccc2)c(O)n(C)c(=O)c1C#N 4657317 FGSYUQGXIZQRPN-WUKNDPDISA-N 268.276 2.686 30 40 CFEB CN(CC(=O)Nc1ccccc1C#N)Cc1cccc(F)c1 5936082 FYQHONOOQJHPIU-UHFFFAOYSA-N 297.333 2.768 30 40 CFEB CC(C)(C)SCCCC(=O)N[C@@]1(C#N)CCSC1 95435925 QXXKIZURFSUTOA-CYBMUJFWSA-N 286.466 2.814 30 40 CFEB N#Cc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O 30714719 ITHZVHWZLWRTFP-UHFFFAOYSA-N 254.245 2.763 30 40 CFEB Cc1cc(OCC(=O)N[C@](C)(C#N)C2CC2)ccc1Cl 6589744 CCNVAAHWFUHAND-OAHLLOKOSA-N 292.766 2.836 30 40 CFEB C=CCNC(=O)c1ccc(OC)c(COC(C)C)c1 224421629 HJGHRFQKFQQCSX-UHFFFAOYSA-N 263.337 2.536 30 40 CFEB N#Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC1 226280185 TZMKLOADQLXIIQ-UHFFFAOYSA-N 283.253 2.659 30 40 CFEB Oc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1 252429326 CWMYVVQXCGHEAH-UHFFFAOYSA-N 296.355 2.822 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 12908658 HOIKMTXXSSUAPC-UHFFFAOYSA-N 291.310 2.695 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/OCc2cscn2)cc1 16951186 HAMPDCQOOSOWLM-WLRTZDKTSA-N 263.278 2.602 30 40 CFEB Cc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cn1 23455177 WMOFERMRLRDHPJ-UHFFFAOYSA-N 267.288 2.545 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)C1(C#N)CCCC1 25103479 VAELGWKATIRMGN-UHFFFAOYSA-N 267.332 2.601 30 40 CFEB C=CCNc1ncnc2c1cnn2-c1ccc(C)cc1 20662020 ZZAWCFGZHYRRNL-UHFFFAOYSA-N 265.320 2.722 30 40 CFEB CCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 147706 AMPZBUYYGVXMDR-OAHLLOKOSA-N 298.346 2.555 30 40 CFEB CCn1c(COc2ccc(C)cc2)nnc1SCC#N 4169162 QLDUFQMSXLAQIJ-UHFFFAOYSA-N 288.376 2.801 30 40 CFEB N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 69351155 UFENNJFETDVYQG-FMIVXFBMSA-N 290.388 2.613 30 40 CFEB C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccccc1 3445316 RDTJSANCRZSPCK-CYBMUJFWSA-N 280.327 2.989 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C#N)c1C 3587824 ASRIOPKAYOIPKF-UHFFFAOYSA-N 296.326 2.968 30 40 CFEB C=CCOc1ccc(C(=O)Nc2ccncc2)cc1OC 17586139 DSDGPVHXEJRAOF-UHFFFAOYSA-N 284.315 2.907 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)[C@@H]1Cc2ccccc2O1 66306126 FGSLKYZRGHRHHK-LBPRGKRZSA-N 285.265 2.567 30 40 CFEB CCOc1cc(/C=N/O)c(Br)cc1OC 5953384 MQGAYKBPOKITJK-WUXMJOGZSA-N 274.114 2.665 30 40 CFEB O=C1CC(/C=C/c2ccccc2)CC(=O)C1=C1NCCS1 20800964 LMAPOZVOXDZIIN-NACWPOHOSA-N 299.395 2.796 30 40 CFEB CC(=O)SCC(=O)[C@H](C#N)c1nc2ccccc2s1 9452493 SSEVHGUKMVOHRD-VIFPVBQESA-N 290.369 2.752 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccccc2C#N)c1 71882182 GICKSQYWRBHOLY-KGLIPLIRSA-N 268.364 2.803 30 40 CFEB C=CCOc1cccnc1C(=O)Nc1cccc2[nH]cnc12 95985898 YNZGANZGHGSPDV-UHFFFAOYSA-N 294.314 2.775 30 40 CFEB S=C(N/N=C\c1ccccc1)N/N=C\c1ccccc1 33328759 QYIDDDFCXHCQEH-LSQIQBGYSA-N 282.372 2.519 30 40 CFEB C/C(=C\C(=O)c1cccnc1)NCc1ccccc1 32100673 PXAGHHNFXXPLCH-JLHYYAGUSA-N 252.317 2.958 30 40 CFEB N#Cc1ccccc1C(=O)c1ccc(C2OCCO2)cc1 43212620 NDOGOHJLAHXTSQ-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB Cn1c(CO)cnc1SCC#Cc1ccc(Cl)cc1 85253914 UFOZEMIOIOYNCS-UHFFFAOYSA-N 292.791 2.710 30 40 CFEB CC(C)Oc1c(N)cc(C#N)n1Cc1ccccc1F 225875041 ZMYGEKKQSJSSPN-UHFFFAOYSA-N 273.311 2.917 30 40 CFEB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)c3ccccc3)O[C@@H]1C2 199587907 HMUQUMOKICGOKW-JBXGNFEISA-N 285.196 2.954 30 40 CFEB Fc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c(F)c1 95096117 GNNXGDCSNDXBDS-XVKPBYJWSA-N 268.181 2.984 30 40 CFEB C=CCCC(=O)Nc1ccc(NC(=O)OC)c(F)c1 96009028 ZHICXNLQTPSAEB-UHFFFAOYSA-N 266.272 2.909 30 40 CFEB C=C(C)CNC(=O)Nc1ccc(OC)c(OC(F)F)c1 156333816 VBHRUCVGZPGVAD-UHFFFAOYSA-N 286.278 2.994 30 40 CFEB Cc1ccsc1/C=N/n1c(C)cc(C)c(C#N)c1=O 63510 GPMUCCNKDKUQNQ-LZYBPNLTSA-N 271.345 2.589 30 40 CFEB O=C1CS/C(=N/N=C/c2cccnc2)N1c1ccccc1 1027266 PFGGLRPJGKOFPA-MBXAUKRDSA-N 296.355 2.552 30 40 CFEB CC1(C)C[C@@H](/N=C/c2ccc3c(c2)OCO3)CCO1 100098671 HWCIFQLIGDWBNY-RGZVIEDOSA-N 261.321 2.792 30 40 CFEB COC(=O)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 46517819 UCSMYCGHBXVRBJ-UHFFFAOYSA-N 294.354 2.977 30 40 CFEB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(C#N)cc1 2726647 BDPKZPASXFWTHY-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB CCN1CCN(/C(S)=N/[C@@H](C)c2ccccc2)CC1 8687091 BLBKFRTWFWPMQO-ZDUSSCGKSA-N 277.437 2.671 30 40 CFEB CC1=NN(c2ccccc2)C(=O)/C1=N/c1ccc(O)cc1 100998832 FJVHLMLGIFORTK-BMRADRMJSA-N 279.299 2.887 30 40 CFEB N#CCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12504825 LDFFAIAPGIFPJQ-UHFFFAOYSA-N 267.313 2.718 30 40 CFEB N#C[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O 1400319 LHWGJYVSXNJPEY-ZCFIWIBFSA-N 289.644 2.630 30 40 CFEB N#CCN(C(=O)CCc1cccc(Cl)c1)C1CC1 58328026 KIEDSVIPOZEURG-UHFFFAOYSA-N 262.740 2.787 30 40 CFEB N#Cc1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1 10747896 KEEWBLLLCRXJDX-UHFFFAOYSA-N 296.345 2.989 30 40 CFEB CN(C)CCCNc1oc(-c2cccs2)nc1C#N 2373539 KTRVKYOZZZUYOU-UHFFFAOYSA-N 276.365 2.638 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCNc2ccccc2C1 45802108 KZJJUXQSJAAQQD-UHFFFAOYSA-N 294.314 2.899 30 40 CFEB C[C@@H](O)c1cccc(NC(=O)COc2ccccc2C#N)c1 12894651 XZQQCJJYBZCUPX-GFCCVEGCSA-N 296.326 2.629 30 40 CFEB CCOc1ccc(/N=C2\SCC(=O)N2CC)cc1 13151374 XLVRVQDDVARTKF-YPKPFQOOSA-N 264.350 2.668 30 40 CFEB CN(C)c1cccc(C(=O)Oc2ccc(C#N)cc2)c1 6212012 CPXGWDCYVGAGKB-UHFFFAOYSA-N 266.300 2.843 30 40 CFEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F 92830859 PPYWPCCWVLEVHT-UHFFFAOYSA-N 280.299 2.858 30 40 CFEB COc1cc(OC)cc(C(=O)Nc2ccc(C#N)cc2)c1 5670059 GCJGFTAXIAFAIT-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCc2ccccc21 96012796 HSEFGXWICYWRAI-RHSMWYFYSA-N 299.418 2.662 30 40 CFEB C[C@H]1CN(c2oc(-c3ccccc3)nc2C#N)C[C@@H](C)O1 16810165 PPCZMYTULUDURS-TXEJJXNPSA-N 283.331 2.827 30 40 CFEB CN(C)CC(C)(C)CNc1ncc(C#N)cc1Cl 69420045 LVZRYTNGCMPTDW-UHFFFAOYSA-N 266.776 2.606 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCCOc1ccccc1F 69514166 JQZDLIRTTGSMOU-LBPRGKRZSA-N 278.327 2.793 30 40 CFEB C#CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 71913555 WLDWAPHVVVRQLF-UHFFFAOYSA-N 286.375 2.870 30 40 CFEB COCCN/C(=N\C1CCCCC1)NCc1ccccc1 72271815 RMTUEKJSVICPHU-UHFFFAOYSA-N 289.423 2.701 30 40 CFEB CC[C@H](O[C@@H]1CCC[C@H](C)C1)/C(O)=N/c1ncn[nH]1 96436045 MXIJCSYJHZQSKT-AXFHLTTASA-N 266.345 2.767 30 40 CFEB COCCN(C(=O)c1ccccc1F)c1ccc(C#N)cc1 96423996 HNWIXKZCKWHUHN-UHFFFAOYSA-N 298.317 2.991 30 40 CFEB CSC(=S)N(C)/C=C/C(=O)c1ccccc1 5912197 LUSDLBLZCPAMLA-CMDGGOBGSA-N 251.376 2.963 30 40 CFEB COc1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc1 100292627 ITODFOOYLQFCEK-UVTDQMKNSA-N 295.294 2.793 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1cnn(C(C)(C)C)c1 52512246 SSTYRBZRCJIDSO-UHFFFAOYSA-N 296.374 2.782 30 40 CFEB Cc1ccc(CSc2ncc(C#N)c(N)n2)cc1 421741 GOMFLTNWFAWLNZ-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccccc2F)c1 22475061 BBHHGWRVYAYXDS-UHFFFAOYSA-N 275.304 2.608 30 40 CFEB COc1ccc(Br)cc1CN(C)CCC#N 42207045 APCLWXGZGBWJCI-UHFFFAOYSA-N 283.169 2.803 30 40 CFEB Cc1nc(NC[C@@H]2CCCO2)c(C#N)c2c1CCCC2 20591604 JSLWVPGWNSYXHF-LBPRGKRZSA-N 271.364 2.731 30 40 CFEB O/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1 12539067 YMHSLWUPHSLIJT-JXAWBTAJSA-N 251.289 2.984 30 40 CFEB CC[C@@]1(C)N/C(=N/c2cccc(Cl)c2)OC1=O 58357126 ABQDJLTVSZQJCQ-GFCCVEGCSA-N 252.701 2.643 30 40 CFEB N#Cc1c(O)c2c(-c3ccc(F)cc3)csc2[nH]c1=O 28819349 FXZKXWHZVPQTSB-UHFFFAOYSA-N 286.287 2.973 30 40 CFEB N#Cc1cccc(C(=O)N(Cc2ccco2)C2CC2)c1 29010672 OOLBHFQHNKXWDG-UHFFFAOYSA-N 266.300 2.956 30 40 CFEB C=CCN/C(S)=N/N=C\c1ccc(OCCC)cc1 5009722 VCTFQDFKHCQFLZ-WJDWOHSUSA-N 277.393 2.871 30 40 CFEB CN(CCC#N)C(=O)c1cc2cc(Cl)ccc2[nH]1 5345586 BUXLISPKTRVBPE-UHFFFAOYSA-N 261.712 2.807 30 40 CFEB Cc1cc(Br)ccc1CC(=O)N[C@@H](C)CC#N 97048217 ZAJKXEYMPAHFFX-JTQLQIEISA-N 295.180 2.718 30 40 CFEB C#CCC(C)(C)COC(=O)[C@@H]1CC(=O)Nc2ccccc21 95467956 BYUWSWSKPLHBKR-CYBMUJFWSA-N 285.343 2.705 30 40 CFEB CC(C)N(C[C@H]1C[C@H]1C)C(=O)Cc1ccc(C#N)cc1 75147632 YYGIKKCEMYPPGE-CZUORRHYSA-N 270.376 2.994 30 40 CFEB C#Cc1cccc(NC(=O)N[C@H](CCO)c2ccccc2)c1 77673868 DKUIOXKZATYJPX-QGZVFWFLSA-N 294.354 2.913 30 40 CFEB C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C 16093988 XIIZPFSITDJMSI-JMSVASOKSA-N 292.404 2.661 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1O 32461036 BIVFYXBIUOKOJM-UHFFFAOYSA-N 266.300 2.536 30 40 CFEB COC(=O)[C@H](C)CSCc1cc(C#N)ccc1F 78825202 NWIYICDRSOWBMV-SECBINFHSA-N 267.325 2.740 30 40 CFEB COc1cc(/C=N/O)ccc1OCc1ccccc1C#N 107715354 FIXXYXUPUVQSOD-VCHYOVAHSA-N 282.299 2.954 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1cccs1 105543949 WDNWRRYSBLFAJP-GARJFASQSA-N 278.377 2.738 30 40 CFEB Cc1ccc2c(c1)ncc[n+]2CC(=O)c1ccc(F)cc1 1666173 PNKCTFUPRCAMOC-UHFFFAOYSA-N 281.310 2.853 30 40 CFEB C#CCOc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1 36359504 ZSBCENWWULPUHX-NSHDSACASA-N 299.355 2.861 30 40 CFEB O=C1C(=CNc2nccs2)C(=O)c2ccccc21 2561990 XJXYCMZONGLWAH-UHFFFAOYSA-N 256.286 2.518 30 40 CFEB C[N+]1(CCCCCCC(=O)/C=N\O)CCCCCC1 13110768 QPPLIMXYLDUVMD-UHFFFAOYSA-O 269.409 2.987 30 40 CFEB CC[C@@H](C)/N=C(/S)N1CCN(Cc2ccccc2)CC1 13556343 ATHVMPMAUINGHF-CQSZACIVSA-N 291.464 2.889 30 40 CFEB COc1ccc(C)cc1NCC(=O)Nc1ccc(C#N)cc1 7972974 FLKLWPCUGXGTBS-UHFFFAOYSA-N 295.342 2.926 30 40 CFEB N#CC1(c2nc([C@H]3CCCCCN3)no2)CCCCC1 96001564 PPBCCEIKIDSLFE-GFCCVEGCSA-N 274.368 3.000 30 40 CFEB C#CC1(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)CCCCC1 35075001 OCYWTORKQAWKIA-ZACQAIPSSA-N 293.451 2.678 30 40 CFEB O=C1/C(=C/c2ccc(O)cc2O)Cc2ccccc21 222577378 RBDZAUOXRXNMMO-XYOKQWHBSA-N 252.269 2.920 30 40 CFEB N#CCSCC(=O)Nc1cc(Cl)ccc1F 40090215 IULGEQVDDLNUGR-UHFFFAOYSA-N 258.705 2.674 30 40 CFEB Cn1cccc1[C@H]1COCCN1Cc1ccc(F)c(C#N)c1 97103521 BGHJARIOGRFWBD-QGZVFWFLSA-N 299.349 2.609 30 40 CFEB CN(C)/C=N/c1nc(-c2ccccc2)c(C=O)s1 57556941 HIEOPBZFJWFUPT-NTEUORMPSA-N 259.334 2.844 30 40 CFEB CCOc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 3151337 ZSEAHTRIEMNDGU-RQZCQDPDSA-N 297.314 2.711 30 40 CFEB N#Cc1c(Nc2ccccc2)sc2c(O)cc(=O)[nH]c12 5819235 AIXXJZIJJCGMTF-UHFFFAOYSA-N 283.312 2.910 30 40 CFEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F 14607506 BRGQUWUUNNPLGZ-PSLIRLAXSA-N 298.321 2.685 30 40 CFEB COc1ccc(/C=C2\C(=O)C[C@H]3CC[C@H]2N3C)cc1 207510852 JCIHTXCBCGGQLM-WWPXCLHUSA-N 257.333 2.514 30 40 CFEB CC1(C)[C@@H]2CC[C@@H]3OB(c4ccsc4)O[C@]3(C)[C@H]21 239563017 PURMGMLBEISVIT-CZXHOFHRSA-N 262.183 2.683 30 40 CFEB CCOc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1 346350 VWQPCZQYPZWYOH-UHFFFAOYSA-N 259.373 2.717 30 40 CFEB C=CCNC(=O)Nc1ccc(-c2nccc(C)n2)cc1 78755117 AESVSFJPDUUKKN-UHFFFAOYSA-N 268.320 2.760 30 40 CFEB CN(CCC#N)c1ncnc2sc3c(c12)CCCC3 3296614 WXWKIZQCHYZYGO-UHFFFAOYSA-N 272.377 2.920 30 40 CFEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 4697709 NXHDRDLEIJSZKU-MDWZMJQESA-N 290.235 2.932 30 40 CFEB COC(=O)c1cc(/C=C\c2ccccc2)nc(O)c1C#N 8655368 HNCFHJPENZANAT-FPLPWBNLSA-N 280.283 2.616 30 40 CFEB Cc1cc(NC(=O)CO/N=C/c2ccccc2Cl)no1 3171244 NAWAJABZELATBM-VIZOYTHASA-N 293.710 2.626 30 40 CFEB C#CCN(Cc1ccc(C)cc1)Cc1ccc(CO)o1 96490000 BEZNBYGICQHAPT-UHFFFAOYSA-N 269.344 2.716 30 40 CFEB Cc1c(C(=O)N(CC#N)C2CC2)oc2ccccc12 58306134 MTZABWYAOQWLIH-UHFFFAOYSA-N 254.289 2.869 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2ccc(F)c(F)c2)c1 12768749 SOKNQSAWCMSDBZ-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB CC/C(=N\NC(N)=S)c1ccc(Cl)cc1Cl 4573055 JQXKFGBOUMZTHL-NTEUORMPSA-N 276.192 2.941 30 40 CFEB CN1CCS/C1=N\c1cc([N+](=O)[O-])ccc1Cl 6559481 QHJKTVDPYOLBSL-BENRWUELSA-N 271.729 2.914 30 40 CFEB C#CCOc1cc(F)ccc1NC(=O)NCc1ccccn1 72303967 AAIKBSDSFCLNGA-UHFFFAOYSA-N 299.305 2.554 30 40 CFEB N#Cc1cc(N2CCC[C@@H](c3cn[nH]c3)C2)ccc1[N+](=O)[O-] 97379589 DGRCSIMCQRFSJX-LLVKDONJSA-N 297.318 2.574 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2ccccc2F)n1 223673877 LYFSUXHIMVDLII-UHFFFAOYSA-N 288.351 2.772 30 40 CFEB C[C@@H](O)CCNc1ccc(Br)cc1C#N 96008465 BWUURMBLICAHDT-MRVPVSSYSA-N 269.142 2.504 30 40 CFEB N#CCOC(=O)COc1ccc(Oc2ccccc2)cc1 12843573 WUWYMNHDQKMQOF-UHFFFAOYSA-N 283.283 2.924 30 40 CFEB N#Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 6082995 JSWLIGOCNPPDTR-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB in-vivo N#Cc1cccc(C(=O)N2C[C@H]3C[C@H]2C[C@@H]3OCC2CC2)c1 107262152 UCDSPRFFAHGKBJ-IKGGRYGDSA-N 296.370 2.588 30 40 CFEB C[C@@H](CC#N)NCc1cccc(Br)c1 42418959 LRDDANAEXYSUQZ-VIFPVBQESA-N 253.143 2.841 30 40 CFEB N#Cc1ccc(CCC(=O)NC(C2CC2)C2CC2)cc1 25155612 PUUHTCPOJJPGRV-UHFFFAOYSA-N 268.360 2.796 30 40 CFEB C[C@H]1CCCCN1C[C@H]1CCCN(CCCC#N)C1 106853268 YLWDVPGPBVQFKC-HOTGVXAUSA-N 263.429 2.877 30 40 CFEB C#CCn1cnc(-c2cccc(Br)c2)c1N 100761272 LKLAAWVUDHEGMZ-UHFFFAOYSA-N 276.137 2.528 30 40 CFEB COc1ccc2c(c1)CN(C(=O)C1(C#N)CCCC1)CC2 71824407 SWGOACROFIKIMD-UHFFFAOYSA-N 284.359 2.664 30 40 CFEB CNc1nnc(SCc2cccc(C#N)c2)s1 7102726 MBDJBMJBZJDVCF-UHFFFAOYSA-N 262.363 2.744 30 40 CFEB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)o1 7975044 SSQCZTKDEXLRAS-ZDUSSCGKSA-N 297.358 2.919 30 40 CFEB N#Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 8473526 ZBSAWFZFVGDUEG-UHFFFAOYSA-N 297.226 2.606 30 40 CFEB C#CCNC(=O)N(Cc1ccco1)Cc1cccs1 17698162 ANWKTJQKMKHWKI-UHFFFAOYSA-N 274.345 2.686 30 40 CFEB N#Cc1ccc(CNC(=O)c2cccc3cn[nH]c23)c(F)c1 69812999 CIFFUXHLHJDBKQ-UHFFFAOYSA-N 294.289 2.504 30 40 CFEB CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 69896493 WMFRMFFLJDKMJE-VHSXEESVSA-N 274.345 2.898 30 40 CFEB N#Cc1c(F)cccc1OCc1nc(-c2ccco2)no1 89768092 ROVLMNUJJGGTEK-UHFFFAOYSA-N 285.234 2.919 30 40 CFEB C[C@H]1CCc2onc(C(=O)Nc3ccccc3C#N)c2C1 20572144 SRUCGRLFPWGHJD-JTQLQIEISA-N 281.315 2.923 30 40 CFEB COc1ccc(CNc2cnc3[nH]nc(C)c3c2)cc1C#N 189348494 ANFLNPVXOAUCJE-UHFFFAOYSA-N 293.330 2.759 30 40 CFEB C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc(C#N)nc1 192653234 UKWQDBKFWHSGSS-SUMWQHHRSA-N 279.343 2.920 30 40 CFEB C[C@H]1CN(c2ccc(C#N)nc2)C[C@H](c2ccsc2)O1 97227808 IBDFESGSBQPQNI-XHDPSFHLSA-N 285.372 2.981 30 40 CFEB COc1cc(/C=C/c2ccncc2C#N)cc2c1OCCO2 390834641 KGQOAMWPNRRUHW-NSCUHMNNSA-N 294.310 2.903 30 40 CFEB O=C1OC[C@H](CC(F)(F)C(F)(F)C(F)(F)F)O1 169797556 NGJPKXNAOGRGAB-VKHMYHEASA-N 270.100 2.745 30 40 CFEB CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C 6171261 KSZOTXZFYCRWQK-JYRVWZFOSA-N 277.276 2.519 30 40 CFEB C=CCCn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888913817 IZNLEQPGZSOVPB-UHFFFAOYSA-N 295.342 2.748 30 40 CFEB C=CCCC(=O)NCC1CCN(C2CCSCC2)CC1 238872010 NDEMLSLJWBGPJN-UHFFFAOYSA-N 296.480 2.676 30 40 CFEB CCNc1oc(COc2cccc(C)c2)nc1C#N 351825 VAVFNRSLEFIIIT-UHFFFAOYSA-N 257.293 2.866 30 40 CFEB CCn1c(=O)c(/C=N/c2nccs2)c(O)c2ccccc21 100192894 HTCIUYZIWZCOJS-RQZCQDPDSA-N 299.355 2.934 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1 59103785 QGOMTZFBBLCFNX-UHFFFAOYSA-N 280.343 2.851 30 40 CFEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O 6172875 YIZQWNKWELSFJK-JXCQQFQQSA-N 275.377 2.798 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1cccc2nccnc12 5459442 DSOZIFRJKPWNTI-VXLYETTFSA-N 288.314 2.952 30 40 CFEB CCN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 7016416 OCNLUTQIOVQTCR-QGZVFWFLSA-N 287.407 2.563 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccc2c(c1)NC(=O)CS2 9446029 UPYFZCCBATZQHZ-UHFFFAOYSA-N 290.388 2.769 30 40 CFEB Cc1ccccc1COc1nn(C(C)C)c(N)c1C#N 225831495 DPBIALGFBVFBNC-UHFFFAOYSA-N 270.336 2.805 30 40 CFEB C/C=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)F 96268951 WKRWOIXKTQNNAZ-IHWYPQMZSA-N 268.128 2.939 30 40 CFEB COc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1O 98042438 HMPKBHDZCBABNT-DHDCSXOGSA-N 287.275 2.755 30 40 CFEB CC(C)c1ccc(C[C@@H](C)/C=N\NC(N)=S)cc1 5104079 WYDNEFWZWQTTCX-WIWNTQSISA-N 263.410 2.808 30 40 CFEB COc1ccc(/C(=N/O)c2ccc(C)cc2)c(O)c1 5793923 TVYFHWNEXYXZPU-FOCLMDBBSA-N 257.289 2.936 30 40 CFEB O=C(OCC(F)F)OCC(F)(F)[C@H](F)C(F)(F)F 169795648 WVTGDHAZAJLIIB-BYPYZUCNSA-N 290.106 2.940 30 40 CFEB CC(=O)c1ccccc1NC(=O)CNc1ccc(C#N)cc1 15122489 HLDKETSHGPAGLS-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB Cc1cccc(N2CCN(c3ccc(C#N)cn3)CC2)c1C 30560203 BWVGDCDEBMYLTB-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB CC1=CC(=NOC(=O)Cc2ccccc2)C=C(C)C1=O 3076753 UEVDWIIPNPHAFI-UHFFFAOYSA-N 269.300 2.604 30 40 CFEB COc1ccccc1[C@H](CNc1ncccc1C#N)N(C)C 44866641 MPWMTSCXSZVQFO-HNNXBMFYSA-N 296.374 2.677 30 40 CFEB CC(=O)Nc1ccc(C(=O)COc2cccc(C#N)c2)cc1 3408412 HGIFHYFEAHQCFP-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB CCc1nc(C#N)c(NCCc2ccc(OC)cc2)o1 5559802 INYMRJILNQRHEO-UHFFFAOYSA-N 271.320 2.772 30 40 CFEB Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cc1C#N 7039815 DUIIRWPLKAKRNZ-UHFFFAOYSA-N 271.280 2.560 30 40 CFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@H](C)C[C@@H](C)C1 7386062 ATWWHHIJLCZMES-MCIONIFRSA-N 285.391 2.863 30 40 CFEB N#CC1(C(=O)N[C@@H]2CCc3c(O)cccc32)CCCC1 71905654 PIHLLQODYJXVRT-CYBMUJFWSA-N 270.332 2.580 30 40 CFEB CCCc1onc(C)c1C(=O)N[C@](C)(C#N)C(C)C 95431808 CRHWNBDGAXKJBD-CQSZACIVSA-N 263.341 2.604 30 40 CFEB C#CCCCCC(=O)N1CCOC[C@H]1c1nc(C)cs1 188647690 XCFHOBMSBIXZSA-ZDUSSCGKSA-N 292.404 2.545 30 40 CFEB COc1cc(C=O)ccc1OCc1cccc(C#N)c1 14215002 CAVPPIHLCBAZKF-UHFFFAOYSA-N 267.284 2.958 30 40 CFEB Cc1ccnc(NC[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)c1 97203799 YTGQHSYKEPFQBF-HOTGVXAUSA-N 297.406 2.567 30 40 CFEB CCN(CC)c1nn(-c2cccc(C)c2C)nc1C#N 256047887 PFICCPLYIMTAEV-UHFFFAOYSA-N 269.352 2.602 30 40 CFEB C=CCNC(=O)Nc1cccc(Cl)c1OCCOC 49358738 GZEDUEIFUILDEF-UHFFFAOYSA-N 284.743 2.673 30 40 CFEB CC(C)OC/C(N)=N/OCc1ccc(Cl)s1 63460331 PCAAQFRAPJMOID-UHFFFAOYSA-N 262.762 2.615 30 40 CFEB CC1(C)CC(=O)C(CC2=C(N)CC(C)(C)CC2=O)=C(N)C1 19909388 BURPXKXNUDLEIV-UHFFFAOYSA-N 290.407 2.580 30 40 CFEB C=CCN1CCO[C@H]2CCN(CC(CC)CC)CC[C@H]21 2055730080 XJZFKBQXMYNSRI-SJORKVTESA-N 280.456 2.774 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1S 20160842 IZZFUIJOOSYGFW-FLIBITNWSA-N 278.764 2.995 30 40 CFEB Cc1nc(NC[C@H]2CCCO2)c(C#N)c2c1CCCC2 20591606 JSLWVPGWNSYXHF-GFCCVEGCSA-N 271.364 2.731 30 40 CFEB CC(=O)C1=C(O)C(=O)O[C@H]1c1ccc(C(C)C)cc1 188520 KSAJPXUITXGYRK-AWEZNQCLSA-N 260.289 2.809 30 40 CFEB CN(C)c1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1 41483486 ZYNILYPPAVWSHI-UHFFFAOYSA-N 293.370 2.858 30 40 CFEB C=C(C)CNC(=S)Nc1ccc(C(=O)OCC)cc1 6242375 ISNCHQAAXARPIO-UHFFFAOYSA-N 278.377 2.726 30 40 CFEB CC(C)Cn1c(SCC#N)nc2ccccc2c1=O 3285829 AMTIDHXHKWPABD-UHFFFAOYSA-N 273.361 2.668 30 40 CFEB CCn1cc(Cl)c(C(=O)Nc2ccc(C#N)cc2)n1 28222678 NXNDRKKCQKDFMB-UHFFFAOYSA-N 274.711 2.680 30 40 CFEB Cc1cc(C)n(C[C@H](C)CNCc2ccc(C#N)cc2)n1 48714607 HOFSXOZPMDULHP-CYBMUJFWSA-N 282.391 2.798 30 40 CFEB CCc1ccsc1C(=O)N[C@@H](C#N)CC(C)C 69530383 XFOCONLDDMJQRR-LLVKDONJSA-N 250.367 2.979 30 40 CFEB CN(C(=O)[C@H]1C[C@H]1c1ccco1)c1cccc(C#N)c1 49374705 UVJSBKLXOFYMTP-KGLIPLIRSA-N 266.300 2.918 30 40 CFEB O=[N+]([O-])c1cccc(N/N=C/c2ccccc2O)c1 4926114 HZUZBVMYLSEFDR-NTEUORMPSA-N 257.249 2.746 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NC(C)(C)C)n1 7188009 CYOXNVGQHQVHAC-LLVKDONJSA-N 291.420 2.965 30 40 CFEB CC(C)n1ncc2ccc(NC(=O)NC[C@H](C)C#N)cc21 95410882 KRILGAFDKMKTQI-LLVKDONJSA-N 285.351 2.898 30 40 CFEB C=CC[C@@H](C)[C@@H](C)NCc1cccc(C(=O)NC)c1 95420965 RDCAKIPFDOURRZ-CHWSQXEVSA-N 260.381 2.737 30 40 CFEB c1ccc2oc(CN/C(=N\C3CC3)NC3CC3)cc2c1 75583397 ABIOIVSAMPOINO-UHFFFAOYSA-N 269.348 2.793 30 40 CFEB CCOc1ccc(OCC)c(NC(=O)CSCC#N)c1 31546022 KANXUSQLMDODFI-UHFFFAOYSA-N 294.376 2.679 30 40 CFEB N#Cc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 199523562 JENPUNNJOFHOOA-UHFFFAOYSA-N 252.229 2.697 30 40 CFEB C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC 195577752 MIKVUMSUBZXPKT-UKRRQHHQSA-N 289.375 2.842 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccco1)C2 96049993 DPVQJQPWMSFULR-KRWDZBQOSA-N 288.391 2.813 30 40 CFEB COCc1cccc(C(=O)[C@H](C#N)c2ccc(F)cn2)c1 96446495 MIIXBACIFFVFSR-CQSZACIVSA-N 284.290 2.857 30 40 CFEB CCC/C(O)=N/S(=O)(=O)c1cn(C)c2ccccc12 96485701 KKSHKUAABIUCJM-UHFFFAOYSA-N 280.349 2.624 30 40 CFEB CC(C)c1nc(Oc2ccccc2C#N)nc(N(C)C)n1 270907599 GTBHNUZUURQOLE-UHFFFAOYSA-N 283.335 2.725 30 40 CFEB C=C(Br)CNC(=O)Cc1c(F)cccc1F 95964746 WHKBLYWBUFQUJA-UHFFFAOYSA-N 290.107 2.532 30 40 CFEB CCn1c(SCC#N)nnc1-c1ccc(OC)cc1 5208329 JVYJUFDLMZWWJR-UHFFFAOYSA-N 274.349 2.589 30 40 CFEB N#Cc1ccc(C(=O)N2CCCc3ncccc32)cc1 12539218 RTWOSKNRBSSXFQ-UHFFFAOYSA-N 263.300 2.546 30 40 CFEB Cc1ccc2c(c1)N/C(=C/C(=O)c1ccco1)C(=O)O2 100902482 WYOLUXRKZUELFI-DHZHZOJOSA-N 269.256 2.686 30 40 CFEB CCc1c(C)sc(NC(=O)[C@@H]2CCCO2)c1C#N 369122 LMLNXBLUAMUFNZ-NSHDSACASA-N 264.350 2.608 30 40 CFEB COC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N 1354225 VKYXTLMJOQKJNL-UHFFFAOYSA-N 286.356 2.988 30 40 CFEB CN(CCOCc1ccccc1)C(=O)c1cccc(C#N)c1 79093915 GPFGWVATJBOWEF-UHFFFAOYSA-N 294.354 2.847 30 40 CFEB N#Cc1ccc(C(=O)N2CCOc3ccccc3C2)cc1 33174715 SNJQKWXDRVSRMW-UHFFFAOYSA-N 278.311 2.593 30 40 CFEB C[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N 24167200 HSEXNLGLVKMHHJ-NSHDSACASA-N 277.393 2.823 30 40 CFEB Cc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1 3251358 LKZGFRPNAQREFU-OMCISZLKSA-N 287.344 2.858 30 40 CFEB N/C(=N\C[C@@H]1CCCO1)SC/C=C/c1ccccc1 11159140 VTBDTJOPUMFKQT-GPAKFWEMSA-N 276.405 2.927 30 40 CFEB COc1ccc(NC(=O)c2cccc(C#N)c2)c([N+](=O)[O-])c1 12820976 QFMKUOATNZZUSW-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB CC(=O)c1ccc(NC(=O)COc2ccccc2C#N)cc1 3445526 XNQYMKFPYPRIRB-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1cc2ccccc2n1C 69367895 LCGLYKWYMPVTGT-LBPRGKRZSA-N 255.321 2.600 30 40 CFEB CC(C)c1nc2c(n1C)CCN(Cc1ccccc1C#N)C2 69513919 JLWWTMOWNSDCMO-UHFFFAOYSA-N 294.402 2.973 30 40 CFEB CCOCCC1(CNc2nccnc2C#N)CCCC1 95415049 LTWIIYOVDVUVHQ-UHFFFAOYSA-N 274.368 2.747 30 40 CFEB C=C[C@H](C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 95979496 KNMQFHYQMJKNAA-WRWORJQWSA-N 274.147 2.718 30 40 CFEB CN(C)[C@H](C/N=C(/N)c1ccccc1)c1cccs1 69893516 DELYEVSOPQWBIB-CYBMUJFWSA-N 273.405 2.756 30 40 CFEB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(C#N)c1 40108257 MSWFMQRPOYGHOT-CJNGLKHVSA-N 286.375 2.883 30 40 CFEB CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C#N 225804158 YROJAYUCFJAHNW-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB COC(=O)c1cc(C(F)(F)F)nn1-c1cccc(C#N)c1 96029323 IDUMNPQKQXJWHP-UHFFFAOYSA-N 295.220 2.549 30 40 CFEB C=CCO[C@H]1CO[C@@]2(CCCN(Cc3ccoc3)C2)C1 96048190 AAEYIAGZNDFJHA-CVEARBPZSA-N 277.364 2.606 30 40 CFEB CC(C)(C)c1cc(NC(=O)Cn2cccn2)c(C#N)s1 91208283 POSVHXRZELGEQS-UHFFFAOYSA-N 288.376 2.752 30 40 CFEB Cc1ccccc1N1CCN(c2cnccc2C#N)CC1 94131942 KUQMMUDGIGENHS-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C 174115 WMPKTVPCGJINJE-UHFFFAOYSA-N 291.763 2.694 30 40 CFEB CC1=C/C(=N\OC(=O)c2cccc(C)c2)C=CC1=O 3121152 HREVXQJEGMJTPW-SSZFMOIBSA-N 255.273 2.593 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/N=C\c2ccccc2O)cc1 5030481 OGJRDWUBYHHMFQ-TYVLLQCESA-N 269.260 2.753 30 40 CFEB Cc1ccc(/C(N)=N/OC(=O)c2ccnc(Cl)c2)cc1 4280901 DUQNKZIBPZCDAF-UHFFFAOYSA-N 289.722 2.521 30 40 CFEB C=CCCCN1CC[C@H](NC(=O)OC(C)(C)C)C1 76017036 ZKXUPUWORCOJLV-LBPRGKRZSA-N 254.374 2.552 30 40 CFEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)CC(C)C)cc1 103504539 LDVHEOZDUMDWHL-CQSZACIVSA-N 272.348 2.942 30 40 CFEB COc1ccc(CN(C)c2nnc(C)c(C)c2C#N)cc1 24053235 XOSIHCGTQXDIGE-UHFFFAOYSA-N 282.347 2.610 30 40 CFEB N#CCSCC(=O)Nc1nc2c(s1)CCCCCC2 48945281 BATUFQLEZIDXHF-UHFFFAOYSA-N 295.433 2.997 30 40 CFEB C=CCN/C(S)=N/N=C\c1cccc(Cl)c1 5453729 LZLXELDHBTYUHZ-ZSOIEALJSA-N 253.758 2.735 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 4695258 YIYKKTLMUISZNA-DHZHZOJOSA-N 290.300 2.817 30 40 CFEB CCC[C@H](C#N)NC(=O)CCc1cc(F)ccc1F 69348365 XJMLXHJYTPWYFE-GFCCVEGCSA-N 266.291 2.706 30 40 CFEB N#Cc1cc(C#N)c(SC2CCCCC2)nc1N 69452256 YJLXMVIIBLNOBZ-UHFFFAOYSA-N 258.350 2.832 30 40 CFEB C=C(C)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 69809568 DKVMYZOZCWFNMN-UHFFFAOYSA-N 268.401 2.894 30 40 CFEB C/N=C(/NCc1ccccc1)N1CCc2ccccc2C1 72271836 BBVACGBEMVDTRK-UHFFFAOYSA-N 279.387 2.820 30 40 CFEB C=C[C@@H](C)OC(=O)c1ccc(F)c(NC(C)=O)c1 187561622 ZAYQIRHOVQNJPW-MRVPVSSYSA-N 251.257 2.515 30 40 CFEB CCc1nn(Cc2ccccc2Cl)c(N)c1C#N 127796381 LLUCPYDOLZRHGV-UHFFFAOYSA-N 260.728 2.601 30 40 CFEB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c(C#N)c1 225793514 ZRSNPNOPKLXZKA-MRXNPFEDSA-N 290.363 2.957 30 40 CFEB COC1(OC)CC(C#N)(c2ccc(Br)cc2)C1 86034804 RFISJNPZKQEHSB-UHFFFAOYSA-N 296.164 2.993 30 40 CFEB CCC(=O)Nc1cccc(C(=O)OCC2(CC#N)CC2)c1 96442774 CZKSIALFMOIKLG-UHFFFAOYSA-N 286.331 2.886 30 40 CFEB N/N=C(\C(=O)c1ccc(Cl)cc1)c1ccccc1 16450727 KXARYEVLGCERSU-LGMDPLHJSA-N 258.708 2.886 30 40 CFEB N#Cc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 4583633 BBQMZRFSKCAHQW-UHFFFAOYSA-N 297.358 2.503 30 40 CFEB Cc1ccc([C@@H]2CCCC[C@H]2OS(C)(=O)=O)cc1 1706513 ADBLBUZAIOEZBQ-UONOGXRCSA-N 268.378 2.997 30 40 CFEB N#Cc1c(S)nc2c(c1-c1ccccc1)COCC2 8706711 BWLAMJKGAASDOM-UHFFFAOYSA-N 268.341 2.982 30 40 CFEB C#Cc1cccc(NCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 55768489 ZIAKIZKVSAGLBV-ZIAGYGMSSA-N 270.376 2.584 30 40 CFEB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)OCC#N 25857183 XGUWRALIWALNDM-UHFFFAOYSA-N 276.679 2.984 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102441295 WDNWRRYSBLFAJP-MXWKQRLJSA-N 278.377 2.738 30 40 CFEB Cc1c(C(=O)NCC#Cc2ccccc2)cccc1[N+](=O)[O-] 12765060 GJSAESRNXWSMNV-UHFFFAOYSA-N 294.310 2.685 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 3445474 WBUKMAYTAKXRJV-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB COC(=O)C(C(=O)c1ccccc1)=C1Nc2ccccc2N1 6016591 IFINJPCCZMMVMX-UHFFFAOYSA-N 294.310 2.792 30 40 CFEB C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccccc1C#N 6291343 ZDICZCMMPMUYEO-CHWSQXEVSA-N 298.342 2.785 30 40 CFEB C/C(=N\Nc1nc(=O)c(C)n[nH]1)c1ccc(C(C)(C)C)cc1 6210953 WWSULLFXPLGXTK-VCHYOVAHSA-N 299.378 2.607 30 40 CFEB C=CCNC(=O)CSc1nc(-c2ccccc2)ns1 67738011 YKTRTWQIJCZSJJ-UHFFFAOYSA-N 291.401 2.599 30 40 CFEB CCOc1ccc(Cl)cc1/C=N/n1c(C)nnc1S 408863526 NDRSCCGUWDNVBK-VGOFMYFVSA-N 296.783 2.810 30 40 CFEB C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc(C#N)nc1 192653207 UKWQDBKFWHSGSS-GUYCJALGSA-N 279.343 2.920 30 40 CFEB C=CCOc1c(C(=O)OC)sc(OC)c1Cl 96510974 MNTFMYKAMDGSQA-UHFFFAOYSA-N 262.714 2.762 30 40 CFEB C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 96023655 RJLKXMONMKZDGP-BLTAXRJOSA-N 250.338 2.842 30 40 CFEB biogenic CSC(=NC#N)Sc1cccc([N+](=O)[O-])c1 256080894 HVAFWEPTAQSSSG-UHFFFAOYSA-N 253.308 2.887 30 40 CFEB O=C(/C=C/c1c(O)c2cccnc2[nH]c1=O)c1ccccc1 6382997 SGZFWUNIXGFYHK-CMDGGOBGSA-N 292.294 2.525 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)NC(=S)N2 2601629 BKMMEUSSYMWKGR-ZDUSSCGKSA-N 292.791 2.866 30 40 CFEB Cc1cccc(-c2nnc(SCCC#N)n2C)c1 8735832 XBFKMDLUSDPZKL-UHFFFAOYSA-N 258.350 2.796 30 40 CFEB C[C@H](C#N)OC(=O)c1ccc(OCc2cscn2)cc1 25066424 HZINDJROZAKVIM-SNVBAGLBSA-N 288.328 2.791 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102010783 JVIFVEGWXZKIQP-MRVWCRGKSA-N 272.348 2.676 30 40 CFEB Cc1cc(C)nc(S[C@@H]2/C(=N\O)[C@H]3CC[C@H]2C3)n1 100965127 VMFVXFIGYNQUBM-JOPRGRIASA-N 263.366 2.814 30 40 CFEB N#Cc1c(F)cccc1N[C@H]1CCCN(c2ncccn2)C1 44976663 KQIAXBLNOOXOEV-LBPRGKRZSA-N 297.337 2.568 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccccc1O 5638739 ACQPGCJNTLWNJK-MHWRWJLKSA-N 270.288 2.927 30 40 CFEB CC[C@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 69517006 ZCMCLJIPLBEAEJ-SNVBAGLBSA-N 271.147 2.954 30 40 CFEB N#C[C@H](C(=O)c1ccnc(OC2CCC2)c1)c1ccccn1 97048959 SOQFFAIQKBZYEF-AWEZNQCLSA-N 293.326 2.898 30 40 CFEB CC1(C)OB(c2ccc3cnsc3c2)OC1(C)C 170020855 MPWPZLWTLNTQMK-UHFFFAOYSA-N 261.155 2.596 30 40 CFEB C=CCNC(=S)Nc1ncc(Cl)cc1Cl 223917795 UQQAGYYFIFAKQI-UHFFFAOYSA-N 262.165 2.861 30 40 CFEB CCCn1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 256052709 OIMWIIIDHBVDGT-UHFFFAOYSA-N 286.184 2.746 30 40 CFEB CCCCC[C@@H](O)C#Cc1ccc(OC)c(OC)c1 95631939 SVTJIRNSIWTJNB-CQSZACIVSA-N 262.349 2.997 30 40 CFEB N#Cc1ccc(OCCn2nccc2-c2ccncc2)cc1 68777044 INAQEIZFFVJHBZ-UHFFFAOYSA-N 290.326 2.896 30 40 CFEB C=CCCCCCCCC[C@H](C(=O)O)[C@H](O)CC(=O)O 31166425 ZFABEUFWUOOQMI-QWHCGFSZSA-N 286.368 2.830 30 40 CFEB biogenic,in-vitro COc1ccc(C(=O)c2c(N)c(C#N)c3n2CCCC3)cc1 12420435 VYLSXTWYRFVEGH-UHFFFAOYSA-N 295.342 2.518 30 40 CFEB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 353456409 WATSDIDCINISMW-INIZCTEOSA-N 299.418 2.685 30 40 CFEB N#Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1N 111753 XGXZWSGHZDGLLS-UHFFFAOYSA-N 253.183 2.814 30 40 CFEB C[N+](C)(C)CCCC#CC[N+]1(C)CCc2ccccc2C1 1571284 ZCMAMZGEGIODHN-UHFFFAOYSA-N 286.463 2.679 30 40 CFEB C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)N(C)C[C@H]1C 4011750 OASDVQSPONGSRY-CKEIUWERSA-N 271.360 2.576 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 6927183 JVIFVEGWXZKIQP-IACUBPJLSA-N 272.348 2.676 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 107335499 DBONCZZEYZBHRG-NZBPQXDJSA-N 288.391 2.580 30 40 CFEB COc1cc(/C=N\N2CCCCCC2)cc(OC)c1OC 104227048 GIQZMNASFWJAFV-ATVHPVEESA-N 292.379 2.922 30 40 CFEB C=CCNC(=O)CSc1ncnc2sc(C)c(C)c12 3580403 OWDKIAFAOSFBMK-UHFFFAOYSA-N 293.417 2.702 30 40 CFEB CC[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C)on1 14018354 FNQNJLZWALWYCO-GFCCVEGCSA-N 285.303 2.651 30 40 CFEB Cn1c(=S)n(/N=C/c2cccnc2)c2ccccc21 4663535 SPWBHJZNCZKSRP-MHWRWJLKSA-N 268.345 2.986 30 40 CFEB COC(=O)[C@H]1C(=O)C=C(Cl)C[C@H]1c1ccccc1 64861139 JAFKKXXJMCCQRO-WCQYABFASA-N 264.708 2.655 30 40 CFEB CNc1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@H]1N2 504663968 MRKJUQFZPAERTO-HIFRSBDPSA-N 276.429 2.880 30 40 CFEB OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 97949847 KGWZMKSODUPSGD-UHFFFAOYSA-N 266.515 2.716 30 40 CFEB O=C1Nc2ccccc2N/C1=C\C(=O)c1cccs1 12356991 JYDAKFBJRTTXHA-FLIBITNWSA-N 270.313 2.879 30 40 CFEB COc1ccc(/C(C)=N/NC(=S)NCC(C)C)cc1 16991745 KYIDEEDBZVOOMI-LFIBNONCSA-N 279.409 2.539 30 40 CFEB COc1ccc(-c2ccc(CCC(=O)OCC#N)o2)cc1 17736610 GIRAECWZNXLMDM-UHFFFAOYSA-N 285.299 2.955 30 40 CFEB C/C(=N\O)[C@@H](C)n1c(C)c(C)[n+]([O-])c1-c1ccccc1 5535666 IPBDUEXYXYPBRX-HPUUJOOBSA-N 273.336 2.816 30 40 CFEB C=CC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C 34370834 VGDATZBYQWJPSE-QWRGUYRKSA-N 269.341 2.504 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 32900734 URUNVYKHYXRFPL-MRXNPFEDSA-N 263.296 2.610 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\OCc2cscn2)cc1 4963520 HAMPDCQOOSOWLM-ACAGNQJTSA-N 263.278 2.602 30 40 CFEB CCO[C@H](C)C(=O)[C@H](C#N)c1nc2ccccc2s1 69896500 WMFRMFFLJDKMJE-ZJUUUORDSA-N 274.345 2.898 30 40 CFEB C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 27440024 XPKNKYBHLRZIPA-UHFFFAOYSA-N 276.355 2.596 30 40 CFEB Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccnc1)CC2 58184072 CCOQUWNVQXJKKC-XFFZJAGNSA-N 283.283 2.894 30 40 CFEB CC(C)(C)c1nc(C#N)c(NCc2cccnc2)o1 27663208 FGHVVNZBBXYUQY-UHFFFAOYSA-N 256.309 2.851 30 40 CFEB N#CCOc1cccc(NC(=O)NCc2cccs2)c1 48488718 ALHRWASRPAYBRR-UHFFFAOYSA-N 287.344 2.972 30 40 CFEB COC(=O)c1c(C)cccc1NC(=O)c1ccc(C#N)cc1 8924796 XJYBPTWVGLRMMB-UHFFFAOYSA-N 294.310 2.906 30 40 CFEB Cn1c(/C(C#N)=N/Nc2ccccc2)nc2ccccc21 4663487 RISLQGQUPXVGQJ-XSFVSMFZSA-N 275.315 2.913 30 40 CFEB CN(C)CCCn1c(N)c(C#N)c2c(c1=S)CCCC2 9306449 WWLBJOPZTGAUCJ-UHFFFAOYSA-N 290.436 2.502 30 40 CFEB CCCCS(=O)(=O)/N=C(\O)c1cc(F)c(F)c(F)c1 95349738 FDWVLTPXSMDEIF-UHFFFAOYSA-N 295.282 2.538 30 40 CFEB N#C[C@H](C(=O)NCc1ccco1)c1ccc2ccccc2n1 89873135 VGCIPGWWNVZSBN-AWEZNQCLSA-N 291.310 2.751 30 40 CFEB CC1=CC[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)C(=O)O)CC[C@H]2C 34541932 IYDIAJDXEYNLGO-WSLQDRLSSA-N 250.338 2.905 30 40 CFEB biogenic C=CCNC(=O)CCCn1cc(-c2ccc(OC)cc2)cn1 227166104 BJJAAEAQRINPRT-UHFFFAOYSA-N 299.374 2.641 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CCC#N 67509486 FXERUOGCBCNKNS-UHFFFAOYSA-N 283.331 2.565 30 40 CFEB N=C1NN=C(c2ccccc2)/C1=N\Nc1ccccc1F 15226931 WFTGTFCHQNUQAC-UHFFFAOYSA-N 281.294 2.578 30 40 CFEB N#CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 6241421 SRMDQPCNLZVGIS-GZTJUZNOSA-N 296.286 2.943 30 40 CFEB Cn1ncc2c1CC/C(=C/c1cccc(C#N)c1)C2=O 40116041 OPIPMLUCAPKFBE-JYRVWZFOSA-N 263.300 2.504 30 40 CFEB CC(=O)N=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl 84003 AKOWTAPURARCJU-UHFFFAOYSA-N 286.929 2.935 30 40 CFEB COC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 497209 SZECXZKXICBCHV-UHFFFAOYSA-N 290.266 2.546 30 40 CFEB COc1ccc([C@H]2CCCC[C@H]2OS(C)(=O)=O)cc1 1706496 QQGMFHHIXCQTFJ-ZIAGYGMSSA-N 284.377 2.698 30 40 CFEB Cc1cccc([C@@H]2CCCC[C@H]2OS(C)(=O)=O)c1 1706509 XSFJGIWUKTVDRU-UONOGXRCSA-N 268.378 2.997 30 40 CFEB COCc1cc(C)nc(N/N=C/c2cccs2)c1C#N 4725732 QYTDUIWVQZWNJV-LZYBPNLTSA-N 286.360 2.916 30 40 CFEB C=CCn1cc(C(=O)OCC)c(=O)c2ccc(F)cc21 1392388 OWQUBNGQUCCLDI-UHFFFAOYSA-N 275.279 2.503 30 40 CFEB Cc1nc(C#N)c(NC[C@@H](c2ccco2)N2CCCC2)o1 27562205 VDBUZXKGWOPLSH-ZDUSSCGKSA-N 286.335 2.697 30 40 CFEB CC[C@H](C#N)NC(=O)C1(C)CCN(Cc2ccccc2)CC1 97165955 JLEAVFSIPIJKMT-MRXNPFEDSA-N 299.418 2.707 30 40 CFEB N#CC1(NC(=O)c2cc(-c3ccccc3F)on2)CCC1 63476965 BBTMVBSVZNKNGO-UHFFFAOYSA-N 285.278 2.657 30 40 CFEB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)CCC#N)o1 64003442 CLHWSUOHLMYTSD-VAFIWLDWSA-N 258.321 2.788 30 40 CFEB COc1ccc(/C=N/N2C(=O)C[C@H]2c2ccccc2)cc1O 71279935 VOMXGXHEUIXYFT-BGARDKSCSA-N 296.326 2.708 30 40 CFEB N#CCc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 6757301 VOTZJXQOIGBCIE-UHFFFAOYSA-N 261.284 2.826 30 40 CFEB CCCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 19846826 XHBHQNFDTRDWEX-GFCCVEGCSA-N 259.353 2.617 30 40 CFEB CC[C@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 69509626 BWHIWBJGJFUNOP-GHMZBOCLSA-N 278.377 2.594 30 40 CFEB C=CCOCCCC(=O)N1CCC[C@H](c2nccs2)C1 72298609 MDFKSWKNXLBHMF-ZDUSSCGKSA-N 294.420 2.832 30 40 CFEB COC(=O)C[C@H]1CCCC/C1=N\OCc1c(C)noc1C 95449558 NGWSCKLOKKLEOU-YVYFARNLSA-N 294.351 2.917 30 40 CFEB C=CCN/C(=N\Cc1cccc(C(F)(F)F)c1)NC 95948130 JOPPBKZCUFAPQP-UHFFFAOYSA-N 271.286 2.556 30 40 CFEB CCCN[C@H](C#N)c1ccc([C@@H](C#N)NCCC)cc1 31870871 IRPYMZCTDBCQBF-HZPDHXFCSA-N 270.380 2.815 30 40 CFEB N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1CO 186663384 KJIDRUCPXXQTTC-CQSZACIVSA-N 264.756 2.558 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)c1cncc(Br)c1 32735979 KBPGATIJMOJMSA-LBPRGKRZSA-N 296.168 2.512 30 40 CFEB CCC(C)(C)NC/C(O)=N/c1sccc1C#N 82068020 FOGHWVSYTZDMDA-UHFFFAOYSA-N 251.355 2.986 30 40 CFEB C/N=C1/N=C2c3ccccc3CN2Cc2ccccc21 226822752 MJWMUFVZNHKNJL-FBMGVBCBSA-N 261.328 2.839 30 40 CFEB CC[C@]1(c2ccc(Br)cc2)O[C@@H]1C(=O)OC 85657600 IBEWDLLHKSNBQD-ZYHUDNBSSA-N 285.137 2.626 30 40 CFEB Cc1cccc(C)c1CS(=O)(=O)CCCC#N 190927540 PYVNTKJQDYYUTA-UHFFFAOYSA-N 251.351 2.522 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@H]2CCCC[C@H]2C1 98018854 VCPYWCOKGRFGAI-TXEJJXNPSA-N 260.362 2.882 30 40 CFEB CC[C@@H](C#N)Sc1nc2ccsc2c(=O)n1CC 97103007 WBICASSVJUEIOC-QMMMGPOBSA-N 279.390 2.872 30 40 CFEB CC(C)C/C(NC(=O)OC(C)(C)C)=C(/[O])[C@]1(C)CO1 1560405455 ZWMPDFNHLOZTHX-AWEZNQCLSA-N 270.349 2.988 30 40 CFEB N#Cc1ccc(NC(=O)CSc2ccccc2N)cc1 37022348 GNHXOHOAHJZNAR-UHFFFAOYSA-N 283.356 2.871 30 40 CFEB O=C(OCC#CCN1CCCCC1)c1ccccc1Cl 1628100 OQPSBTBVLXUVBD-UHFFFAOYSA-N 291.778 2.986 30 40 CFEB C=CCOC(=O)N1CCC(=O)C[C@H]1Cc1ccccc1 2523062 KPSMVIFUJSAYRV-CQSZACIVSA-N 273.332 2.585 30 40 CFEB COCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 41534244 BFIZFGGSYOSQEL-NSHDSACASA-N 272.329 2.633 30 40 CFEB CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 4453226 JPJYLHIERAUYQA-CYBMUJFWSA-N 273.332 2.556 30 40 CFEB Cc1nnc(NCc2cccc(CN(C)C)c2)c(C#N)c1C 25568013 LTWNXIFRYNYMLK-UHFFFAOYSA-N 295.390 2.639 30 40 CFEB CSCC[C@@H]1NC(=O)C(/C(C)=N/c2ccccc2)=C1O 102800384 DKCIYFRPVXYSHY-SEJMYLSOSA-N 290.388 2.843 30 40 CFEB C=C[C@H](C)NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97142993 SNVYTIDVDWQRFY-STQMWFEESA-N 293.436 2.711 30 40 CFEB N#CCCc1cc2c(cc1Br)OCO2 2173601 RFIVKYGIWJLLBS-UHFFFAOYSA-N 254.083 2.634 30 40 CFEB C/C(=N\Oc1cc(N)cc([N+](=O)[O-])c1)c1ccccc1 12846592 IOADNKZCPJUEBF-MHWRWJLKSA-N 271.276 2.980 30 40 CFEB COC1CCN(c2c(C#N)cnc3ccccc23)CC1 36913327 PYKRDGQICPBQSZ-UHFFFAOYSA-N 267.332 2.722 30 40 CFEB N#CCc1ccc(NC(=O)CSc2ccccn2)cc1 5259728 CYYHRQSRXOXGOE-UHFFFAOYSA-N 283.356 2.878 30 40 CFEB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)C1 7386124 ZKPHFTGXJVKGKY-MJBXVCDLSA-N 285.391 2.863 30 40 CFEB CC(C)(O)CNc1cc(C#N)ccc1C(F)(F)F 95971348 CPRHVDGLRBRYCS-UHFFFAOYSA-N 258.243 2.760 30 40 CFEB C=C(C)CSCC(=O)NCc1ccc(F)cc1 89914070 ZREXANQURBADJV-UHFFFAOYSA-N 253.342 2.751 30 40 CFEB Cc1ccc(COc2nn(C(C)(C)C)c(N)c2C#N)cc1 225835404 XKSMYOUABWVWQM-UHFFFAOYSA-N 284.363 2.979 30 40 CFEB C#CCCCOC(=O)c1snnc1-c1ccc(F)cc1 223842170 ANDYAAOKUWSDJB-UHFFFAOYSA-N 290.319 2.914 30 40 CFEB N#Cc1cc(N)c(Br)n1Cc1ccccc1 225889478 PFXVKKLRANDARR-UHFFFAOYSA-N 276.137 2.753 30 40 CFEB C[C@H](CNc1nccnc1C#N)c1nc2ccccc2o1 96446576 ZBKCAMDEGUEZIA-SNVBAGLBSA-N 279.303 2.705 30 40 CFEB C/C(=N/Nc1cnnc(O)c1Cl)c1ccccc1 17324616 XLUJHHBOXJTHHT-NVNXTCNLSA-N 262.700 2.672 30 40 CFEB COc1cc(/C=C/C(=O)c2ccc(O)cc2O)ccc1O 4252597 BWFSBUVPIAIXKJ-QHHAFSJGSA-N 286.283 2.708 30 40 CFEB biogenic,in-vitro C=CCOc1ccccc1CN1C[C@H]2CCCN2C[C@@H]1C 19575794 YWQQDDFQJRVCQO-DOTOQJQBSA-N 286.419 2.920 30 40 CFEB CC(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 201674695 AEBYJEIVJUEVBL-UHFFFAOYSA-N 297.591 2.821 30 40 CFEB O=C1/C(=C/c2ccc(N3CCCC3)cc2)N2CCC1CC2 1423874 HVTVDFDRPXUCEQ-LGMDPLHJSA-N 282.387 2.922 30 40 CFEB CC(C)(O)C#C[C@](C)(O)c1cccc2ccccc12 491454 ALIAEDIPYGMBLW-KRWDZBQOSA-N 254.329 2.822 30 40 CFEB C=CCOc1ccc(CNCc2ccncc2)cc1OC 7275000 ILOGZKZABVDDLO-UHFFFAOYSA-N 284.359 2.945 30 40 CFEB C=CCc1cc(C(=O)NCc2ccncc2)ccc1OC 7504891 GNRZDDJPQQMNAP-UHFFFAOYSA-N 282.343 2.749 30 40 CFEB N#Cc1cccnc1N1CCc2[nH]c3ccccc3c2C1 44893380 KLKYATYRTWJPIY-UHFFFAOYSA-N 274.327 2.997 30 40 CFEB O/C(=N\c1nc(-c2ccco2)n[nH]1)c1ccccc1F 12951059 ZOZQSVBPKHTXKO-UHFFFAOYSA-N 272.239 2.840 30 40 CFEB COc1cc(C(=O)O)ccc1OCc1ccccc1C#N 13420398 QZIQYHIKEPWTIQ-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB COc1ccccc1SCC(=O)NC1(C#N)CCCC1 49372848 TVERRSYUJNUTPY-UHFFFAOYSA-N 290.388 2.740 30 40 CFEB O=C1CSC(=S)N1/N=C/c1ccc(Cl)cc1 5671897 IEPPLHQLTKWPHO-LFYBBSHMSA-N 270.766 2.534 30 40 CFEB Cc1ccc(-c2noc(CN(C)C[C@@H](C)C#N)n2)cc1F 71824935 FYZIMIWTRCCYNK-JTQLQIEISA-N 288.326 2.776 30 40 CFEB C=CCCCNc1ccc(F)c(C(=O)N(C)C)c1 83844146 KDCLYLNMALJGNB-UHFFFAOYSA-N 250.317 2.906 30 40 CFEB CC(=O)OCCn1cc(/C=C/C(=O)c2ccc(C)cc2)cn1 71911269 STZLCMQGNMVFSX-VMPITWQZSA-N 298.342 2.651 30 40 CFEB N#Cc1cc(CC(=O)c2cccs2)c([N+](=O)[O-])cc1C#N 36559097 ZWHUUCMKTSFQOL-UHFFFAOYSA-N 297.295 2.825 30 40 CFEB CCCN(CCC)c1ccc(/C=N/n2cnnc2)cc1 3232006 UXDXUEIKQPRJBJ-WOJGMQOQSA-N 271.368 2.787 30 40 CFEB CCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 7050670 HBCUMMYCKLZGPJ-UHFFFAOYSA-N 286.356 2.921 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1ncn(C2CCCCC2)n1 162619014 WANGVMZLBNCULC-LLVKDONJSA-N 290.371 2.597 30 40 CFEB C#CC(C)(C)OC(=O)/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 4701384 OJFOSOPSIPJWLB-AVDVUAPBSA-N 274.360 2.893 30 40 CFEB N#C[C@@H]1[C@H](C#N)[C@@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@H]21 4721938 PZPNYKYVUALETI-ULXLPNHUSA-N 263.304 2.540 30 40 CFEB CC(C)NC(=S)N/N=C1/CCCc2ccccc21 33774118 HBGKGHZTNYTFMD-SSZFMOIBSA-N 261.394 2.600 30 40 CFEB C[C@@H](Nc1ncccc1C#N)c1ccc(-n2cncn2)cc1 23732833 ZSXHMAPNRSGBIO-GFCCVEGCSA-N 290.330 2.707 30 40 CFEB CCC[C@](C)(Sc1nc(C)ccc1C#N)C(=O)O 12419258 JFYKILGURBFFIK-ZDUSSCGKSA-N 264.350 2.997 30 40 CFEB N#Cc1c(F)cccc1N1CCC(Cn2cccn2)CC1 105794565 DCDWOOWZEUUGOE-UHFFFAOYSA-N 284.338 2.810 30 40 CFEB C/C(Nc1ccc(Cl)c(Cl)c1)=C1/C(=O)COC1=O 103548076 ITFREGMBYZAVES-IZZDOVSWSA-N 286.114 2.805 30 40 CFEB N#Cc1cccnc1N1CCCN(Cc2cccs2)CC1 29619723 HJRBDMBOEAWOKN-UHFFFAOYSA-N 298.415 2.727 30 40 CFEB COCCn1ccc2cc(Nc3nccnc3C#N)ccc21 69739400 GCGHTRMDAFAWRU-UHFFFAOYSA-N 293.330 2.693 30 40 CFEB Cc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 4326599 YMAVFYDYHUAGOS-UHFFFAOYSA-N 280.327 2.528 30 40 CFEB CCn1c(N/N=C/c2ccc[nH]2)nc2ccccc21 408692946 YZRDCPCMEJFMNQ-MHWRWJLKSA-N 253.309 2.830 30 40 CFEB CC(C)=NNc1nc2ccccc2nc1SCCO 4648806 LSYVDRAPFLSTKW-UHFFFAOYSA-N 276.365 2.522 30 40 CFEB N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCC2 19857667 NZPZJNXVCNJHSB-UHFFFAOYSA-N 264.332 2.866 30 40 CFEB CCOc1cc(Cl)ccc1C(=O)N[C@@H](C)CC#N 97048221 CVKYWUINIWIONY-VIFPVBQESA-N 266.728 2.771 30 40 CFEB C=CCOc1c(Cl)cc(CNCC#N)cc1OC 22076685 PLOBIYPPZFILMP-UHFFFAOYSA-N 266.728 2.527 30 40 CFEB CN(C)c1ccnc(Nc2ccccc2F)c1C#N 36383302 ZTWYGIIRAXGMAF-UHFFFAOYSA-N 256.284 2.902 30 40 CFEB C=CCNC(=S)Nc1cc(C)c(Br)cn1 223919072 AKZVAIPUVZZNCY-UHFFFAOYSA-N 286.198 2.625 30 40 CFEB C[C@H](NC(=O)c1cccc(O)c1)c1ccc(C#N)cc1 195556621 UYZRLCUKWKYBPX-NSHDSACASA-N 266.300 2.755 30 40 CFEB Cc1nc2ccccc2nc1-c1snc(N)c1C#N 16265566 LGWFCVWSSKJYHI-UHFFFAOYSA-N 267.317 2.516 30 40 CFEB O=C1C2=CNc3ccccc3O[C@@H]2Oc2ccccc21 16524311 YTGATNRSWPGJJV-INIZCTEOSA-N 265.268 2.976 30 40 CFEB CN(/N=C\c1ccc2ccccc2c1)C1=NCCCCN1 17258510 DVRZWFOEJOQPHX-MOSHPQCFSA-N 280.375 2.845 30 40 CFEB N#Cc1ccc(N[C@H](CO)Cc2ccccc2)cc1 26896871 VFHPVRLXCXZHGS-INIZCTEOSA-N 252.317 2.574 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)NC(=S)N2 2601630 BKMMEUSSYMWKGR-CYBMUJFWSA-N 292.791 2.866 30 40 CFEB C=CCOc1c(/C=N/O)c(C)nn1-c1ccccc1 100150558 NJPOYEKQKDLLRX-XNTDXEJSSA-N 257.293 2.554 30 40 CFEB COc1ccc(C(C)=O)cc1CO/N=C(/N)C1CCCC1 60741955 WVJHDGQBKSAHHP-UHFFFAOYSA-N 290.363 2.877 30 40 CFEB CCCSCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1F 103319891 NICPBOFAGDWDOE-SNVBAGLBSA-N 294.351 2.616 30 40 CFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)C2CCCC2)c1 103504026 LMVGFBQVNKPPFN-CQSZACIVSA-N 270.332 2.833 30 40 CFEB C/C(Nc1ccc(Cl)c(Cl)c1)=C1\C(=O)COC1=O 103548079 ITFREGMBYZAVES-WDZFZDKYSA-N 286.114 2.805 30 40 CFEB C=CCCC(=O)Nc1nnc(-c2ccccn2)s1 58281919 SQRCQARPBOVKPU-UHFFFAOYSA-N 260.322 2.505 30 40 CFEB C[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 7308040 ULSFMUDMJNWTPH-LBPRGKRZSA-N 286.356 2.598 30 40 CFEB Cc1cccc([C@@H]2C[C@H]2C(=O)OC2CCN(CC#N)CC2)c1 89669415 IYUDAESKVGGRGG-DLBZAZTESA-N 298.386 2.630 30 40 CFEB C=CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 78442113 MPVWVXXODPQMBB-WDEREUQCSA-N 270.288 2.595 30 40 CFEB COc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95095913 XZHWBWSJQDEWON-QWRGUYRKSA-N 262.227 2.714 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)c(F)c1 96184372 QNZMJNDYICFKCP-JKSUJKDBSA-N 288.366 2.609 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCCCC3)n2)cc1C 256048702 VNVLIFHZFYRDBE-UHFFFAOYSA-N 281.363 2.746 30 40 CFEB C[N+]1(CCCCCCC(=O)/C=N/O)CCCCC1 5018117 YKNMZJOWXSFXEY-UHFFFAOYSA-O 255.382 2.597 30 40 CFEB C/C(O)=C/C(=O)c1ccc(I)cc1 16136469 YNHAHPWDJVYBQL-SREVYHEPSA-N 288.084 2.936 30 40 CFEB CC(=O)Nc1ccc(/C=N\N=C/c2ccco2)cc1 16919302 CYYBEHLODNYMMO-VULZFCBJSA-N 255.277 2.691 30 40 CFEB CC(=O)C1=C(O)/C(=C\C=C\c2ccccc2)OC1=O 5385684 ABKIYVGPMWZYOU-LRELXJSQSA-N 256.257 2.542 30 40 CFEB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1 585319544 FIQIBCGRBNSHKQ-SJPCQFCGSA-N 298.386 2.659 30 40 CFEB C[C@H](Nc1cc(-n2ccnc2)ncn1)c1ccc(C#N)cc1 77488528 ICJDHJVQCRZFKV-LBPRGKRZSA-N 290.330 2.707 30 40 CFEB FC(F)(F)c1nnc(S)n1/N=C/c1ccsc1 27788925 BLGKXUNQFZOKHG-KGVSQERTSA-N 278.284 2.529 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1)C1CC1 36396188 BVTXXRGWIKVJIK-SFHVURJKSA-N 299.418 2.705 30 40 CFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1 3445311 DDQDDXRLPUKGQV-GFCCVEGCSA-N 266.300 2.964 30 40 CFEB C[C@@H]1CCCCN1CCCNc1ncccc1C#N 19473309 PSWUTASHJLYUEA-CYBMUJFWSA-N 258.369 2.630 30 40 CFEB COc1ccccc1CN/N=C/c1ccc2c(c1)OCO2 20762266 OJIQWPKKOCMQGG-RQZCQDPDSA-N 284.315 2.548 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)Nc2ccc(C#N)cn2)c1 69487716 VUDSGDKVANHZPI-NWDGAFQWSA-N 255.325 2.520 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(O)n[nH]c1N2 18195436 UAOXGXLKLNJPEG-LBPRGKRZSA-N 299.305 2.819 30 40 CFEB Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 95425710 CAPFVIOJYQZXMF-VIFPVBQESA-N 285.307 2.541 30 40 CFEB Cc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)c1 89669509 VQWATJNGSGPVNJ-UHFFFAOYSA-N 294.354 2.756 30 40 CFEB N#CCSc1ccc2c(c1)CCC(=O)N2CC1CC1 218800479 JRPNOUXLSXVMOU-UHFFFAOYSA-N 272.373 2.991 30 40 CFEB COc1ccccc1/C=N\N=C/c1ccccc1O 16919656 RWTYDYAMJSXTOG-APGQMXJTSA-N 254.289 2.854 30 40 CFEB Cc1nc2ccccc2n1C1CN(c2cccnc2C#N)C1 1776009039 RZKZXEITHQZUSB-UHFFFAOYSA-N 289.342 2.673 30 40 CFEB COc1cc2c(cc1OC)C1=C(/C=C\C(C)=O)CCN1CC2 4972440 CHZHRUHJUQVFLH-PLNGDYQASA-N 299.370 2.822 30 40 CFEB Cc1nnc(N=[N+]=[N-])n1/N=C\c1c[nH]c2ccccc12 109902246 XZBZFQLDDJFYRK-CHHVJCJISA-N 266.268 2.892 30 40 CFEB C=C(Cl)C[S@@](=O)Cc1csc(-c2ncccn2)n1 97160191 JHOJEKQJQORGNI-SFHVURJKSA-N 299.808 2.601 30 40 CFEB CC1(C)OB(c2cccc(-c3ccno3)c2)OC1(C)C 170024274 WFBJKOPPYNHWQM-UHFFFAOYSA-N 271.125 2.641 30 40 CFEB COc1ccc(CCNc2ccc(N)cc2C#N)cc1 20134993 XVPINFGCAIHZBC-UHFFFAOYSA-N 267.332 2.804 30 40 CFEB N#Cc1cc(Cl)ccc1N1CCC[C@@H](CCC(N)=O)C1 69848315 OIJOAUIAVPZHHH-NSHDSACASA-N 291.782 2.694 30 40 CFEB CCCCO/N=C(/Nc1ccc(C)cc1)c1nonc1N 4359313 MJWUFJCOOBMBAE-UHFFFAOYSA-N 289.339 2.551 30 40 CFEB N#Cc1ccc(N[C@H]2CCCCNC2=O)cc1C(F)(F)F 65567085 RJGCKIQFVSVAIE-LBPRGKRZSA-N 297.280 2.658 30 40 CFEB COc1ccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc1O 5505523 IAZUOUDQUNLAAR-ATARQRRYSA-N 262.353 2.998 30 40 CFEB Cc1nc(C#N)c(N/N=C/c2c[nH]c3ccccc23)o1 6861392 DOHZNNPVJHHKHO-CAOOACKPSA-N 265.276 2.782 30 40 CFEB N#C[C@H]1CN(Cc2ccc(-c3ccncc3)cc2F)CCO1 93134729 FINZRECIMJAKIA-INIZCTEOSA-N 297.333 2.612 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCCOc2ccccc2C#N)c1 69508164 JXGQPGCFXIDCNI-LSDHHAIUSA-N 298.390 2.681 30 40 CFEB COc1ccnc(N/N=C/C(C)(C)c2ccccc2)n1 95460164 XNWFOKUKECFLRV-GZTJUZNOSA-N 270.336 2.861 30 40 CFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Cl)cc1 409354640 APNUUUPJIHIZTG-UHFFFAOYSA-N 299.717 2.638 30 40 CFEB CCCCc1nn(Cc2ccccc2)c(N)c1C#N 225838417 ZSRZQUALZCJGIY-UHFFFAOYSA-N 254.337 2.728 30 40 CFEB CN(C)/C=C(\Oc1c(Cl)cccc1Cl)C(=O)C=O 97447416 COSMCEGTYONKDT-WDZFZDKYSA-N 288.130 2.543 30 40 CFEB N#Cc1ccc(C(=O)NCCc2ccccc2F)cc1 7538986 CZUMHQKREVCILL-UHFFFAOYSA-N 268.291 2.670 30 40 CFEB N#Cc1ccc(F)c(COC(=O)c2ccccc2O)c1 11297956 IAGCMTXCBCOAEE-UHFFFAOYSA-N 271.247 2.760 30 40 CFEB COc1ccccc1/C=N/NC(=S)NCc1ccccc1 262718 OFQOBYNYEQGQBT-LDADJPATSA-N 299.399 2.693 30 40 CFEB Cc1ccc(CSC/C(O)=N/c2ncn[nH]2)cc1 23142820 ZAUSSVFRMDOBGJ-UHFFFAOYSA-N 262.338 2.635 30 40 CFEB Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1 49314185 SOEROFGUNWKEBY-UHFFFAOYSA-N 272.348 2.587 30 40 CFEB N#CCCN1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71903189 KNUMMUKCEXRFJS-CQSZACIVSA-N 297.324 2.821 30 40 CFEB N#Cc1ccc(C(=O)OCCOc2ccc(F)cc2)cc1 5507028 XRVRLXRZPDUMED-UHFFFAOYSA-N 285.274 2.933 30 40 CFEB Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1Br 93204929 AOWRWUHFOAGUMF-VIFPVBQESA-N 281.153 2.790 30 40 CFEB CN(Cc1ccccc1)C(=O)c1cccc(C#N)c1 19504242 NZZPQMFTBKIXSG-UHFFFAOYSA-N 250.301 2.830 30 40 CFEB N#Cc1ccc(CNC[C@H](O)C2CCCCC2)cc1 69170585 LYXMHCJWGYWJMT-INIZCTEOSA-N 258.365 2.589 30 40 CFEB N#Cc1c(NC(=O)[C@@H]2CCOC2)sc2c1CCCCC2 95955836 QPXWNUXVQJUYCX-SNVBAGLBSA-N 290.388 2.864 30 40 CFEB C/C(Cl)=C/C[N+](C)(C)CC(=O)OCc1ccccc1 1829194 OJKZYVLQFQQEKG-LCYFTJDESA-N 282.791 2.949 30 40 CFEB COc1ccc(N/N=C2\C=CC(=O)c3ncccc32)cc1 100364281 LIZZANYNZSPHBV-XMHGGMMESA-N 279.299 2.659 30 40 CFEB N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 7056132 OQBLGBAWCWVLHV-UHFFFAOYSA-N 298.367 2.848 30 40 CFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 8299986 YUZZACSOTBIUGP-CWRNSKLLSA-N 276.424 2.579 30 40 CFEB biogenic,in-vitro C=CCN1C(=O)C(C)(C)COc2ccc(NC(C)=O)cc21 8736254 LYAHYTQHDONKMN-UHFFFAOYSA-N 288.347 2.583 30 40 CFEB COc1ncccc1CNc1cc(C#N)cc([N+](=O)[O-])c1C 42110218 JMOYHKFBSNKDAE-UHFFFAOYSA-N 298.302 2.791 30 40 CFEB CC1=[N+](CC(=O)NC(C)(C)C)c2ccccc2C1(C)C 2271142 BAUYOVAKOWVHHQ-UHFFFAOYSA-O 273.400 2.997 30 40 CFEB C=CCCOCC(=O)Nc1nnc(CCCCC)s1 48342926 GLHKNUYYBSJFKX-UHFFFAOYSA-N 283.397 2.802 30 40 CFEB CCN(Cc1ccc2c(c1)OCO2)c1ccc(C#N)cn1 14333974 NGBKXXPTNUSUCU-UHFFFAOYSA-N 281.315 2.708 30 40 CFEB C=CCNC(=O)Nc1ccc2c(ccn2CCOC)c1 71803400 LHLLYBMPXXTXJV-UHFFFAOYSA-N 273.336 2.595 30 40 CFEB CCc1nc([C@H]2CCCN2Cc2ccccc2C#N)no1 72279340 MTYODWLPHNUROE-CQSZACIVSA-N 282.347 2.841 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1cncc2ccccc12 89765826 OOVCAXFEXGUMIB-NSHDSACASA-N 256.305 2.764 30 40 CFEB C=CCN(CC=C)c1nc(C2CC2)nc2c(C)nn(C)c12 72238312 COANXIXWJUPDHF-UHFFFAOYSA-N 283.379 2.728 30 40 CFEB CC(C)c1ccc([C@@H]2C[C@H]2/C(O)=N/S(C)(=O)=O)cc1 77940342 VPOCBKOWRIVDFH-QWHCGFSZSA-N 281.377 2.830 30 40 CFEB CCOC(=O)c1sc(Cc2ccccc2)c(C#N)c1N 225850177 HFLGZRSHMXSGIM-UHFFFAOYSA-N 286.356 2.969 30 40 CFEB C=C[C@@H]([C@H](NCc1ccccc1)C(=O)O)C(F)(F)F 199555175 QTYCDKIGDYXOEA-QWRGUYRKSA-N 273.254 2.594 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 96450046 GKCBHCBNTWLCGZ-QWRGUYRKSA-N 268.272 2.599 30 40 CFEB COc1ccc(C#C[C@](C)(O)c2ccccc2)cc1OC 95631949 PBGRFEQNFAIIMT-SFHVURJKSA-N 282.339 2.963 30 40 CFEB C[C@]12C[C@H]3O[C@]34c3ccc(O)cc3CC[C@@H]4[C@H]1CC[C@@H]2O 162416 MVSFFIDSUJVOMJ-ZXXIGWHRSA-N 286.371 2.730 30 40 CFEB Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1[N+](=O)[O-] 32735992 PGDKPAVYEQSNFD-CQSZACIVSA-N 275.308 2.571 30 40 CFEB Cc1nc(-c2ccccc2)sc1Cn1cnc(C#N)n1 60349851 JJFIFLZFORBIQM-UHFFFAOYSA-N 281.344 2.630 30 40 CFEB CCNc1oc(COc2ccc(OC)cc2)nc1C#N 4179311 WDMDXWXFYILAFW-UHFFFAOYSA-N 273.292 2.566 30 40 CFEB C[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1C 4847008 QNMCZQYMRXCADO-UMVBOHGHSA-N 286.375 2.878 30 40 CFEB C[C@@H](C#N)CSc1nnc(-c2ccccc2F)n1C 7200639 QSSLVCNGFSHCBN-VIFPVBQESA-N 276.340 2.873 30 40 CFEB COCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 7398031 OEZBILPUVZVJAZ-UHFFFAOYSA-N 266.300 2.957 30 40 CFEB C#Cc1cc(F)c(NC(=O)N2CCO[C@@H](C)[C@H]2C)c(F)c1 97048749 VTKWYSOJNBIAEO-ZJUUUORDSA-N 294.301 2.587 30 40 CFEB Cc1csc([C@H](C#N)C(=O)Nc2cccnc2Cl)n1 89705283 FSMKKGYUZJJWJQ-MRVPVSSYSA-N 292.751 2.746 30 40 CFEB CCCCCCCCCCNC(=O)C(=O)NC1CC1 408707536 KGGLOHATWSNMIG-UHFFFAOYSA-N 268.401 2.522 30 40 CFEB CN(C)[C@@H](C/N=C(/N)c1ccccc1)c1cccs1 69893513 DELYEVSOPQWBIB-ZDUSSCGKSA-N 273.405 2.756 30 40 CFEB COC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 226102281 QQFNOPFMPRPXBR-HNNXBMFYSA-N 279.295 2.849 30 40 CFEB C=CCOC[C@@H]1c2c(ncn2C(C)C)CCN1C(=O)CC 96260302 KUQZXYNTOPPRFM-CQSZACIVSA-N 291.395 2.502 30 40 CFEB CCN(Cc1cnn(C)c1)c1c(F)cc(C#N)cc1F 225593722 YIJVIAMUBRLEAD-UHFFFAOYSA-N 276.290 2.596 30 40 CFEB O=C(CCCCOc1ccc2ccccc2c1)NO 141182321 VHTRHRBTAWZLMG-UHFFFAOYSA-N 259.305 2.894 30 40 CFEB in-vitro C=C(C)Cn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888913474 ZBAWKIYJUVKKLD-UHFFFAOYSA-N 295.342 2.748 30 40 CFEB COc1cc(OC)cc(C(=O)OCc2ccc(C#N)cc2)c1 3260621 CDMFQRJWQJRVTF-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB C=CCc1c(C)nc(Nc2ccc(OCC)cc2)[nH]c1=O 9264629 QYQVOMHDOKYJIQ-UHFFFAOYSA-N 285.347 2.949 30 40 CFEB C=CCNC(=O)[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 97141071 YRLBHJGOFOZELK-QWRGUYRKSA-N 281.425 2.608 30 40 CFEB c1ccc(C2=NOC[C@@]3(c4ccccc4)O[C@H]23)cc1 104251682 DAOMNHVYJDEFOU-CVEARBPZSA-N 251.285 2.715 30 40 CFEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1O 103858659 CIGVIMMYKPDFCL-RUDMXATFSA-N 281.695 2.760 30 40 CFEB Cc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH]1 10896050 CVPGWCQOESGOGC-UHFFFAOYSA-N 276.299 2.995 30 40 CFEB C=CCn1c(SCC#N)nc2cc(Cl)ccc2c1=O 3452340 ZPHDAOWXPYGZGE-UHFFFAOYSA-N 291.763 2.852 30 40 CFEB C=CCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 13322743 XQTYCZJGYBAPDI-UHFFFAOYSA-N 279.771 2.676 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1 4017908 SDCHDLZVSQKIBQ-OQLLNIDSSA-N 281.275 2.917 30 40 CFEB C=C(Cl)CN1CCN(c2ccc(OC)cc2)CC1 39987730 SCAZMQPQPAYLRN-UHFFFAOYSA-N 266.772 2.570 30 40 CFEB C[C@@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2ncnn21 18197841 DMNHAIQKORFNEL-BDAKNGLRSA-N 286.360 2.727 30 40 CFEB CNc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])cc1 4599461 ZZOIAPCZLWNKBH-LICLKQGHSA-N 295.302 2.868 30 40 CFEB N/C(Cc1ccccc1)=N\OCc1ccc(F)cc1 72001943 HWHLHBXRRQANRN-UHFFFAOYSA-N 258.296 2.857 30 40 CFEB N#Cc1cc(F)ccc1N1CCC[C@H](c2ncc[nH]2)C1 91480194 XKRLVKSAKIJGGZ-NSHDSACASA-N 270.311 2.804 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccs1 96055224 VSZBKTQLRKUARG-NUEKZKHPSA-N 293.432 2.930 30 40 CFEB COC(=O)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 18042995 QZPFQVFJPPFHOK-RQZCQDPDSA-N 283.283 2.953 30 40 CFEB COc1cc(C#N)ccc1OC(=O)c1ccc(Cl)nc1 15988518 QGUOCCSQFIAVBH-UHFFFAOYSA-N 288.690 2.834 30 40 CFEB O=C1Nc2ccccc2C(=O)/C1=C/Nc1ccc(F)cc1 16524225 KCSFKGAWJLPVFB-LCYFTJDESA-N 282.274 2.957 30 40 CFEB CCc1nc(NC[C@H]2CCCO2)c(C#N)c2c1CCCC2 20590631 FCTFRIQMLDBZCL-GFCCVEGCSA-N 285.391 2.985 30 40 CFEB C=C(C)Cn1cnc2c(oc3nc(C)cc(C)c32)c1=O 32124245 MKZSDIIGHLNQSP-UHFFFAOYSA-N 269.304 2.731 30 40 CFEB biogenic COc1cccc(C(=O)Nc2cccc(C#N)c2)c1OC 496527 HJWHXEJEDVTBBC-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB CN1C(=S)S[C@@H](/[N+]([O-])=C\c2ccccc2)C1(C)C 4785768 VYWRIPAWKUXWBE-BTAWCLGRSA-N 280.418 2.684 30 40 CFEB COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 8703013 UURJSQSUVUGPGF-UHFFFAOYSA-N 297.270 2.997 30 40 CFEB CC(C)c1nn2c(N)c(C#N)nnc2c1-c1ccc(F)cc1 20636171 IUPQEDLQPXCAQA-UHFFFAOYSA-N 296.309 2.508 30 40 CFEB O=C1CCS/C(=N\c2ccc(Br)cc2)N1 8418963 ZSWIPNYMAWGSNA-UHFFFAOYSA-N 285.166 2.690 30 40 CFEB CCc1ccc([C@H](C)NS(=O)(=O)CCCC#N)cc1 71897407 BKZSRBIRYOZNEB-LBPRGKRZSA-N 280.393 2.533 30 40 CFEB CC(C)(C)CN(CCC#N)Cn1cc(Cl)cn1 71856500 WSNQUYZFBMIOAQ-UHFFFAOYSA-N 254.765 2.756 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccn1 9647752 OPTIIJPCCCXXSN-UHFFFAOYSA-N 292.298 2.898 30 40 CFEB C=C[C@H](C)NC(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C 95944629 XACRKPITOOGBPA-QWRGUYRKSA-N 278.400 2.881 30 40 CFEB C/C(=N/Nc1nc(C)cc(C)n1)c1ccc2c(c1)OCCO2 35771360 RSKUYQJKXJUPAM-UNOMPAQXSA-N 298.346 2.701 30 40 CFEB CN(C/C(O)=N/c1nncs1)Cc1ccc(F)cc1F 48571681 GPXLNXHGQVBHQQ-UHFFFAOYSA-N 298.318 2.536 30 40 CFEB C=C1[C@H]2[C@H](CC(=O)O)O[C@@H](O)[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 1534676427 PBMBHKUNIJQHFJ-PGQBMZDMSA-N 294.391 2.669 30 40 CFEB CC1(C)O[C@@H](C=O)[C@@H]2CCc3c(O)cccc3[C@]2(C)O1 5028830 HYPQDBFRLCYFJP-NOLJZWGESA-N 276.332 2.520 30 40 CFEB C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1C#N 953067615 OHAHYLXPVGEPCR-GXTWGEPZSA-N 258.321 2.805 30 40 CFEB Cc1sc(NC(=O)c2ccncc2)c(C#N)c1C 48793 BJMHVHRTJCJFCL-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB N#Cc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1 40465406 PXYXTVPUZWMIMQ-UHFFFAOYSA-N 277.327 2.758 30 40 CFEB CC[C@H]1CN(C(=O)Nc2ccc(Cl)c(C#N)c2)CCO1 40526851 JTCFKKQSIRJNLM-LBPRGKRZSA-N 293.754 2.854 30 40 CFEB Cc1cnc(NC(=O)[C@@H](C)Oc2ccccc2C#N)s1 29779404 XPKVFQSHWWGIKG-SNVBAGLBSA-N 287.344 2.729 30 40 CFEB CCN(Cc1ccncc1)[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965958 YDIREJZUNLYUOQ-VOQAAIFBSA-N 259.353 2.532 30 40 CFEB N#Cc1ccccc1/C=C/C(=O)Nn1cnc2ccccc21 27043320 BBOCCOZIABWWDS-MDZDMXLPSA-N 288.310 2.691 30 40 CFEB Cc1cccc(/C=N/Nc2nc3ccccc3[nH]2)n1 5634956 LTAAXTFCJPUHRK-OQLLNIDSSA-N 251.293 2.712 30 40 CFEB CC1(C)Cc2c(C#N)c(S)nc(N3CCCC3)c2CO1 18115559 DJYHLELREBFTGY-UHFFFAOYSA-N 289.404 2.693 30 40 CFEB C[C@H](C#N)N1CCO[C@H](c2cccc(Br)c2)C1 97085883 HWMPBCSRALMDCC-MFKMUULPSA-N 295.180 2.734 30 40 CFEB C=CCN/C(=N\O)c1ncc(C(F)(F)F)cc1Cl 63120212 SHMJTWPLNPBHDU-UHFFFAOYSA-N 279.649 2.665 30 40 CFEB C[C@H]1CN(C(=O)CSCC#N)c2cccc(Cl)c2O1 189835465 BXXMXXKZCKFOAL-VIFPVBQESA-N 296.779 2.711 30 40 CFEB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C#N)cc1 36391130 JBFJDOADTPQPKI-XJKSGUPXSA-N 286.375 2.883 30 40 CFEB N#Cc1cnn(-c2c(Cl)cc(F)cc2Cl)c1N 199794050 MYIQFHAJMNPBJJ-UHFFFAOYSA-N 271.082 2.772 30 40 CFEB C#CCOC(=O)c1cc(NC)ccc1N1CCCCC1 226278862 XHWCDWUUVARSFJ-UHFFFAOYSA-N 272.348 2.509 30 40 CFEB CCC(=O)OCC#Cc1ccccc1OC(F)(F)F 95633928 YXCGOGDGFSZVID-UHFFFAOYSA-N 272.222 2.890 30 40 CFEB C=CCN/C(S)=N/N=C/c1ccccc1OCCC 5237065 YOABADCGPCYKQY-LFIBNONCSA-N 277.393 2.871 30 40 CFEB C=C(C)[C@H]1O[C@@H]1c1c(OC)ccc2ccc(=O)oc12 5158373 YTDNHMHONBWCBV-UKRRQHHQSA-N 258.273 2.818 30 40 CFEB biogenic,in-vitro CC(C)(C)c1nn(CCCF)c(O)c1CCC#N 153530194 SLMHTIREEFRTBA-UHFFFAOYSA-N 253.321 2.702 30 40 CFEB COc1ccccc1OCC(=O)Nc1cccc(C#N)c1 142212 BODUGDNZTFPJPI-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB CN1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1 477548 KIYSHYZINRZPMH-OQLLNIDSSA-N 272.179 2.575 30 40 CFEB CCOC(=O)c1sc(C)c(C(N)=O)c1N=C1CCCC1 499497 CMPDCJQMKZQQNG-UHFFFAOYSA-N 294.376 2.979 30 40 CFEB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(C#N)c1 21961850 OLTIJKGPINQJSI-UHFFFAOYSA-N 298.317 2.848 30 40 CFEB COc1ccc(C(=O)[C@@H](C#N)C(=O)c2cccs2)cc1 103259724 WFIFDEJAFQXXOP-GFCCVEGCSA-N 285.324 2.962 30 40 CFEB COc1cc(O)c(/C=N/Nc2ccccc2)c(OC)c1 6641112 BSKGJWFAILWKPG-MHWRWJLKSA-N 272.304 2.855 30 40 CFEB CCOc1cc(/C=N/Nc2ccccn2)ccc1OC 12534707 QSLUIKMDGRMFTJ-GZTJUZNOSA-N 271.320 2.935 30 40 CFEB CC(/C=N/Nc1ncc(C)c(=O)[nH]1)=C\c1ccccc1 13543933 NTKFSKJLPBZDBC-LQLUBKQVSA-N 268.320 2.580 30 40 CFEB N#Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1 19422638 VESFJGOJKXWHCB-UHFFFAOYSA-N 277.371 2.880 30 40 CFEB COc1ccccc1/C=N/Nc1ccc(C(=O)O)cc1 5352761 MOAQJQGOTIKQOC-MHWRWJLKSA-N 270.288 2.839 30 40 CFEB CCOc1ccc(CNC(=S)N/N=C\C(C)C)cc1 4507331 LVYLZJZLWOGTPP-SXGWCWSVSA-N 279.409 2.691 30 40 CFEB CC(C)OCCCNc1ccc([N+](=O)[O-])cc1C#N 4904873 LHJFTTLKPOVTAR-UHFFFAOYSA-N 263.297 2.693 30 40 CFEB N#Cc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 19797718 LAGISXUTZSPZJF-UHFFFAOYSA-N 293.370 2.586 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCCOc2ccccc2C#N)c1 69508154 JXGQPGCFXIDCNI-CABCVRRESA-N 298.390 2.681 30 40 CFEB C#CCCCOC(=O)[C@@H](c1ccccc1)N(C)CC 95452411 QREREAQBNHPMLR-OAHLLOKOSA-N 259.349 2.636 30 40 CFEB COc1ccccc1COS(=O)(=O)c1ccc(C)cc1 72232701 AHECRYOXFRFNIU-UHFFFAOYSA-N 292.356 2.909 30 40 CFEB C=CCN1CCCN(C(=O)c2cc(C)ccc2C)CC1 72252765 GOXNAPSMGPKIIN-UHFFFAOYSA-N 272.392 2.637 30 40 CFEB CCCCCCCCS(=O)(=O)CCCC(=O)O 1600677 JKQCCJQZYOEDMC-UHFFFAOYSA-N 264.387 2.627 30 40 CFEB C[C@@H](C#N)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 97085885 LHODGJJDTNAYBO-QWRGUYRKSA-N 279.409 2.726 30 40 CFEB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C#N)c1C 5144838 GFGLDVIUOPUGRP-UHFFFAOYSA-N 291.288 2.990 30 40 CFEB COc1ccccc1C=NNC(=S)NCc1ccccc1 13371004 OFQOBYNYEQGQBT-UHFFFAOYSA-N 299.399 2.693 30 40 CFEB CC(=O)Nc1ccc(/C=N/N=C/c2ccccc2O)cc1 1709470 TXLIKAKIPJQNFE-ODPUSEOTSA-N 281.315 2.804 30 40 CFEB Cc1c(/C=C2\N=C(c3ccccc3)OC2=O)cc(C#N)n1C 3338674 LPKACNIHDOSFQJ-DHDCSXOGSA-N 291.310 2.550 30 40 CFEB N#Cc1c(-c2ccco2)cc(-c2cccnc2)nc1N 20327491 PLQOCFCZGKOKCP-UHFFFAOYSA-N 262.272 2.857 30 40 CFEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OC)c(C)c1 54279733 AZNVFSUSLYAWRI-RIYZIHGNSA-N 276.365 2.702 30 40 CFEB C#CCNC(=O)c1cc2sc(N(CC)CC)nc2s1 48367279 OZHILLWIPYVDOZ-UHFFFAOYSA-N 293.417 2.567 30 40 CFEB Cc1nn(C)cc1C(=O)/C=C/c1ccc(O)c(Cl)c1 49372082 MUXSOAOXZHQWEM-HWKANZROSA-N 276.723 2.984 30 40 CFEB N#Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 14681409 YWPYJLIDBKWOJK-UHFFFAOYSA-N 293.282 2.669 30 40 CFEB CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5764675 JRVXINZESOVHRX-CHHVJCJISA-N 281.267 2.623 30 40 CFEB biogenic CN(Cc1cccc(F)c1)C(=O)COc1ccc(C#N)cc1 14912021 AVURVYZMCXYXOE-UHFFFAOYSA-N 298.317 2.735 30 40 CFEB CC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C)c(N(C)C)c1 84721321 LPPLWSWAELCUIN-JTQLQIEISA-N 298.408 2.752 30 40 CFEB N#Cc1ccc(Cl)cc1N1CCC(C2OCCO2)CC1 71914512 SZDZHDSZZUCSMT-UHFFFAOYSA-N 292.766 2.801 30 40 CFEB Cc1oc(-c2cccc(Cl)c2)nc1C/C(N)=N/O 72226818 UBYZIDLZQDBCAG-UHFFFAOYSA-N 265.700 2.592 30 40 CFEB in-vitro C=C(C)CN(CC)C(=O)NC[C@]1(C)CCCS1 95965502 GMWOEPNQTFFBBI-ZDUSSCGKSA-N 256.415 2.880 30 40 CFEB C=CCc1cc(C(=O)NCc2ccco2)ccc1OC 408705383 DKDOFOJQASWPOZ-UHFFFAOYSA-N 271.316 2.947 30 40 CFEB N#Cc1ccc(C(=O)c2ccc(F)cc2)c(C(=O)O)c1 22055194 CXSSLYRYEOIJJZ-UHFFFAOYSA-N 269.231 2.627 30 40 CFEB in-vitro C#C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 521396753 SOGZWDLZHFVBRC-ZDUSSCGKSA-N 280.327 2.827 30 40 CFEB CN(C)c1ccnc(Nc2ccc([N+](=O)[O-])cc2)c1C#N 36033236 JAOKKUZDSBWDOS-UHFFFAOYSA-N 283.291 2.671 30 40 CFEB CC(C)(C)n1nc(OCc2ccccc2)c(C#N)c1N 225835329 ARPAUKZKNRXXSM-UHFFFAOYSA-N 270.336 2.671 30 40 CFEB C=CCN1CCCC12CCN(C(=O)c1ccoc1C)CC2 96063183 FPIFVGOKWMNSNO-UHFFFAOYSA-N 288.391 2.845 30 40 CFEB C/N=C(/N)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 69843442 CSBVPYRUNKECRT-CYBMUJFWSA-N 298.415 2.895 30 40 CFEB C[C@H](C#N)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 97372051 NEINXERWAIWQIA-MRVPVSSYSA-N 272.274 2.520 30 40 CFEB COc1cc(Cl)nc(/N=C/c2ccccc2OC)n1 5514993 DFQTXUBRAJFWCD-OVCLIPMQSA-N 277.711 2.898 30 40 CFEB O/N=C/c1cccn1-c1nccc(-c2cccs2)n1 100468433 FWSZSPPNUDXGDJ-OQLLNIDSSA-N 270.317 2.804 30 40 CFEB COc1cccc(C(=O)[C@@H](C#N)C(=O)c2cccs2)c1 103503073 JEVVPGZHDWBROV-GFCCVEGCSA-N 285.324 2.962 30 40 CFEB CN1CCO[C@H](CSCC#Cc2ccc(Cl)cc2)C1 518769169 DWTXGNMOGWLWMI-HNNXBMFYSA-N 295.835 2.755 30 40 CFEB Cc1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)on1 44937824 LYPSVWJWPWWZKB-UHFFFAOYSA-N 296.374 2.567 30 40 CFEB N#Cc1cccc(OCC(=O)N2CCc3sccc3C2)c1 12796799 IXYFKEFQIIUWAR-UHFFFAOYSA-N 298.367 2.583 30 40 CFEB N#Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 12888460 MQJXKTSWUOYJPM-UHFFFAOYSA-N 269.329 2.756 30 40 CFEB C/N=C1\S/C(=C/c2ccc(C)s2)C(=O)N1C 15224806 DDEGVIDZQOCUDP-SUNUYMGGSA-N 252.364 2.588 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCc2cc(C#N)ccc2F)c1 69538580 BDQHPDAZHYIIKI-STQMWFEESA-N 286.354 2.942 30 40 CFEB C#CCOc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 96441820 KFDKUBKTTVARGI-HNNXBMFYSA-N 276.295 2.584 30 40 CFEB Cc1nc(N2CCc3c(sc(N)c3C#N)C2)sc1C 95410638 ABSJKEWCQFTWAA-UHFFFAOYSA-N 290.417 2.838 30 40 CFEB C=CCCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 95965569 POJYGTGWAKHZEM-UHFFFAOYSA-N 261.321 2.954 30 40 CFEB CN(Cc1nc2ccccc2s1)C(=O)C1(C#N)CCC1 75142295 KADROOHFNOMODX-UHFFFAOYSA-N 285.372 2.949 30 40 CFEB N#Cc1c(-c2ccc(Br)cc2)cc[nH]c1=O 41412379 VVMOGKRRQWICMQ-UHFFFAOYSA-N 275.105 2.676 30 40 CFEB CNC(=NCc1ccc(OC2CCCCC2)cc1)NC 225530017 XWGMPGHNUJBFTN-UHFFFAOYSA-N 275.396 2.693 30 40 CFEB C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(=O)O)c2ccccc21 192948674 NXYHGBXAASAMDL-WCQYABFASA-N 273.332 2.804 30 40 CFEB Fc1ccccc1[C@@H](OC[C@@H]1CO1)C(F)(F)F 95095926 WEBKBWVOCJAALI-OIBJUYFYSA-N 250.191 2.845 30 40 CFEB C/C(=N\c1cccc(N)n1)c1cc2ccccc2oc1=O 19203365 DGMKLSZBUSWUIO-VCHYOVAHSA-N 279.299 2.911 30 40 CFEB C=CCc1cc(CNC(=O)CCC)cc(OC)c1OC 50527747 UQODMDRWHPFYFI-UHFFFAOYSA-N 277.364 2.849 30 40 CFEB Cc1cccc2c1N[C@H](c1cccc(C#N)c1)NC2=O 28923789 CQLXTWYYUMDRHW-HNNXBMFYSA-N 263.300 2.721 30 40 CFEB C=CCOc1ccc(/C=C2/C(=O)ON=C2C)cc1OCC 4321001 TXIUVTCCUGKZRQ-UKTHLTGXSA-N 287.315 2.966 30 40 CFEB Nc1nc2ccccc2n1/N=C/c1ccccc1F 5459143 XPPPPGRBCUZFRM-RQZCQDPDSA-N 254.268 2.640 30 40 CFEB N#CCCSc1nnc(Cc2ccccc2F)o1 67955638 ZLIQGPGPCLDUID-UHFFFAOYSA-N 263.297 2.805 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCC2 16094781 CCBHKXVWJNUUJH-UHFFFAOYSA-N 298.367 2.848 30 40 CFEB N#Cc1cc(NC(=O)NCCc2cccc(O)c2)ccc1F 72288024 GCCSJAKAWQAOAZ-UHFFFAOYSA-N 299.305 2.767 30 40 CFEB C#CC[C@H](NC(=O)NCc1cccnc1)c1ccccc1 89261520 YSDXVAYPCXHEPC-INIZCTEOSA-N 279.343 2.645 30 40 CFEB COc1cc(/C=N/Nc2ccccc2)c(O)c([N+](=O)[O-])c1 408568449 UPFCSDCECHNYOG-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB CCOC(=O)[C@H](C#N)c1cc(OC)ccc1Br 1776010814 NMTUZDZBWRVVBT-SNVBAGLBSA-N 298.136 2.628 30 40 CFEB COc1ccc(C2=NN=C/C2=N\Nc2ccccc2)cc1 100563202 ZNBCPDTXSIZDGJ-XDJHFCHBSA-N 278.315 2.952 30 40 CFEB Cc1ccsc1CN(C)c1ncc([N+](=O)[O-])cc1C#N 32806373 QIYIJPHHYJGGIN-UHFFFAOYSA-N 288.332 2.868 30 40 CFEB C#C[C@H](C)N(C(=O)C(F)(F)F)c1ccc(C)cc1 6922875 AOARPTANDUNTBF-JTQLQIEISA-N 255.239 2.912 30 40 CFEB O=C(NCC#Cc1ccccc1)Nc1ccccc1F 57509395 XPWAMKPHNYJQGW-UHFFFAOYSA-N 268.291 2.999 30 40 CFEB C/N=C(/NCC1(c2ccccc2)CC1)NC1CCCC1 72271945 OLRWCFFURMGGKF-UHFFFAOYSA-N 271.408 2.826 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1ccccc1 58244833 GQPZRZMSMIAJBC-QGZVFWFLSA-N 287.407 2.566 30 40 CFEB CN(C)c1cc(CNc2c(F)cc(C#N)cc2F)ccn1 58305834 BHVDCAJWBNJTMW-UHFFFAOYSA-N 288.301 2.910 30 40 CFEB N#Cc1ccc(NCC(=O)N2CCc3sccc3C2)cc1 11155834 OWRSYHCGXPMMCC-UHFFFAOYSA-N 297.383 2.617 30 40 CFEB N#Cc1ccsc1NC(=O)c1cccnc1Cl 37975116 KFHMZLZZVVLRSO-UHFFFAOYSA-N 263.709 2.920 30 40 CFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21 3538087 QXRHVYIQGMJSGE-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB N/C(=N\OCc1cccc(C(F)(F)F)c1)c1ccncc1 4051657 CXBIMBTXPCBTMF-UHFFFAOYSA-N 295.264 2.938 30 40 CFEB COCCCCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 71904535 BXNPNSMOLMVLHY-CYBMUJFWSA-N 280.755 2.838 30 40 CFEB C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O 97085764 HFJPYGLNPZMUTI-NSHDSACASA-N 281.315 2.636 30 40 CFEB COCCNc1oc(/C=C/c2ccccc2OC)nc1C#N 8469273 JEDHSMZVSMFPSB-BQYQJAHWSA-N 299.330 2.784 30 40 CFEB CN1CCO[C@@H](CSCC#Cc2ccc(Cl)cc2)C1 518769170 DWTXGNMOGWLWMI-OAHLLOKOSA-N 295.835 2.755 30 40 CFEB CC(=O)Nc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 39377206 GEJHUCLTIVVJBC-MNDPQUGUSA-N 293.326 2.742 30 40 CFEB C=CCS(=O)(=O)c1ccc(F)c2ccccc12 71258078 GIKAONPLLZZTDA-UHFFFAOYSA-N 250.294 2.939 30 40 CFEB Cc1cccc(Cn2nc(CC(C)C)c(C#N)c2N)c1 225844799 HQBIQZRUKXMSQV-UHFFFAOYSA-N 268.364 2.892 30 40 CFEB CC/N=C1\S/C(=C/c2ccc(C)o2)C(=O)N1CC 5552156 OPYCNPOYKAAHKN-SOAFUOFCSA-N 264.350 2.900 30 40 CFEB C=CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 13476522 YXKOJRVHPNZCQY-DHZHZOJOSA-N 277.370 2.779 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2ccc(OC)cc2)c1 20034506 KBPXMNFTWJYWRG-UHFFFAOYSA-N 280.327 2.727 30 40 CFEB CNc1ccc(NC(=O)Nc2ccc(C#N)cc2)cn1 40135582 VMJOVNZWSDKDEB-UHFFFAOYSA-N 267.292 2.639 30 40 CFEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1O 226308 ICOJYIYMSJTRKZ-UHFFFAOYSA-N 251.289 2.936 30 40 CFEB Cc1nc2ccccc2c(=O)n1Cc1ccccc1C#N 8509942 MMGVKMXNXFUDNZ-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB N#CCSCC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 47372377 XXPSVUDAYYZIQI-SECBINFHSA-N 299.277 2.533 30 40 CFEB CCNC(=S)N/N=C/c1ccc(-c2cccc(F)c2)o1 107700496 CQCGOACQDWZEJT-RQZCQDPDSA-N 291.351 2.904 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CC1CC1 47920536 HOMUMJCYKUVTPZ-UHFFFAOYSA-N 283.331 2.732 30 40 CFEB CCCCNc1c([N+](=O)[O-])cc(C#N)cc1[N+](=O)[O-] 26509015 BKPZQAYMZJUEKW-UHFFFAOYSA-N 264.241 2.587 30 40 CFEB N#Cc1c(CSc2cccc[n+]2[O-])cn2ccccc12 57527050 MEQHDDKXTXGETJ-UHFFFAOYSA-N 281.340 2.737 30 40 CFEB N#Cc1cccc(CN2C[C@H]3CC[C@H]2[C@H]3OCC2CC2)c1 107265603 LOPOMVUJNYTBLI-SQNIBIBYSA-N 282.387 2.948 30 40 CFEB CN1/C(=C\C(=O)CN2CCCC2)C(C)(C)c2ccccc21 18178690 HRQQQQXBJRHSNF-ATVHPVEESA-N 284.403 2.963 30 40 CFEB Cc1ccc(N2CCN(/N=C\c3ccccc3O)CC2)cc1 5009178 XAXSRAZQEBSBJP-RGEXLXHISA-N 295.386 2.857 30 40 CFEB Cc1cc([C@@H](C#N)C(=O)C[C@@H](C)C2CC2)nc(C)n1 68336377 CEGHOXJNTBRIQM-NOZJJQNGSA-N 257.337 2.706 30 40 CFEB CC(C)(C)c1ccc(/C=N/[C@H]2CCS(=O)(=O)C2)cc1 16742058 IXURPIJRNRZIGE-KNGSKEOJSA-N 279.405 2.590 30 40 CFEB N#CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 69434137 NQSBTRSVIHLABT-KBPBESRZSA-N 274.751 2.958 30 40 CFEB CCOc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1C#N 96004092 JYMYAJCSGMDJGF-NWDGAFQWSA-N 273.336 2.899 30 40 CFEB C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)C1CCOCC1 95440017 SCYFSVJZTKZBEY-CYBMUJFWSA-N 298.386 2.726 30 40 CFEB CC#CCCN1CCCC[C@H]1CNC(=O)OC(C)(C)C 95943134 ZQMCTAOWCPWTJM-AWEZNQCLSA-N 280.412 2.779 30 40 CFEB CCc1c(Br)cc(C#N)n1C[C@H]1CCCO1 225306135 MUPDBUHWMLVSPY-SNVBAGLBSA-N 283.169 2.864 30 40 CFEB C=C(C)COCCNC(=O)Nc1cccc(N(C)CC)c1 96474996 WXZCQMHOOIHSAM-UHFFFAOYSA-N 291.395 2.857 30 40 CFEB CCCCCCCCCO[C@H]1CCS(=O)(=O)C1 97955120 HTJJJWVCCMLATR-ZDUSSCGKSA-N 262.415 2.941 30 40 CFEB CC(=O)c1c(F)cccc1NCCNc1ncccc1C#N 96453623 DBFRNDNFTFTKDK-UHFFFAOYSA-N 298.321 2.819 30 40 CFEB CC1(C)CC(=O)C([C@@H](NC(N)=O)c2ccccc2)=C(O)C1 1888897817 BXPVSYIZXSUZDK-AWEZNQCLSA-N 288.347 2.597 30 40 CFEB COc1ccccc1/C=N/OCC(=O)N(C)c1ccccc1 2652697 GVAGTMGIWPWYBB-LDADJPATSA-N 298.342 2.709 30 40 CFEB O=C(O)COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 6890470 WRXWKLIDJGNCIJ-NTEUORMPSA-N 294.306 2.972 30 40 CFEB C[C@@H]1Cc2cc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)ccc2O1 1438279 UGIAYUVFJAZDDS-SVXRXWARSA-N 293.326 2.930 30 40 CFEB C[C@@H](Oc1ccc(/C=N/c2ccco2)cc1)C(=O)O 59302277 ZEBADJXBLIDSDK-KXUVPBGPSA-N 259.261 2.882 30 40 CFEB C#CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1 29324979 UVAKGFXXGBVEOK-QGZVFWFLSA-N 278.355 2.903 30 40 CFEB N#Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2514079 TWQOHWCUSCBNRE-UHFFFAOYSA-N 252.229 2.697 30 40 CFEB CCNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1 13683683 YWGKJDRJVUZEDS-CAOOACKPSA-N 289.326 2.913 30 40 CFEB COc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1OC 6285243 YBCUBJSOSRTODJ-UHFFFAOYSA-N 296.326 2.505 30 40 CFEB N#Cc1ccc(C(=O)NCCc2ccccc2)cc1 6337702 CGZVTGMWJWDSJG-UHFFFAOYSA-N 250.301 2.531 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccccc1NC(=O)OC 71903783 HUQUHNMJTRVLNE-UHFFFAOYSA-N 276.336 2.903 30 40 CFEB C[C@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1cccc(C#N)c1 78556646 REYPKPJHJVKJED-XZJROXQQSA-N 295.342 2.700 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1cc(C)ccc1C 225885420 SIEHRPBRHGHGCM-UHFFFAOYSA-N 285.347 2.998 30 40 CFEB N#CC1(C#N)[C@@H]2C=C3CCCC[C@]3(CC2)C1(C#N)C#N 45071053 BGFVLADGRSOMNS-UONOGXRCSA-N 262.316 2.964 30 40 CFEB CC(C)(C)c1nn(Cc2ccccc2F)c(N)c1C#N 225840870 RIVHBEJKJJVLFE-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB O=CCCc1c(Br)cncc1Br 228937686 LWCLOAGGJGTLLU-UHFFFAOYSA-N 292.958 2.738 30 40 CFEB C=C(Cl)CN1CCC(CNC(=O)OC(C)(C)C)CC1 96483282 AWXIQQFHYJQYAM-UHFFFAOYSA-N 288.819 2.976 30 40 CFEB COc1ccccc1NC(=S)N/N=C1/C[C@H]2C=CC[C@H]12 56668780 RLYWNVFIGLKBCR-MDNFFPEVSA-N 287.388 2.934 30 40 CFEB COc1cccc(NC(=S)N/N=C2/C[C@H]3CC=C[C@H]23)c1 38391316 CPPNGVBQVFPWGG-HAALYLDESA-N 287.388 2.934 30 40 CFEB COc1cccc(C(=O)Cc2ccc(C#N)cc2)c1 161870 IGSPHGYZXBYEMV-UHFFFAOYSA-N 251.285 2.992 30 40 CFEB O=C(c1ccc(Cl)cc1)[C@H]1O[C@@]12C(=O)Nc1ccccc12 1616315 JGPRLTQNSPLADH-GDBMZVCRSA-N 299.713 2.769 30 40 CFEB N#CCSc1nnc(-c2cccnc2)n1-c1ccccc1 4126250 AZIFAWJIMXGCPX-UHFFFAOYSA-N 293.355 2.945 30 40 CFEB CN(Cc1ccc(Cl)s1)C(=O)CSCC#N 41775719 AYADTBYUTSDCMV-UHFFFAOYSA-N 274.798 2.617 30 40 CFEB C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCCC#N)CC1 69771728 UDWNSPHZKMYQFL-ZDUSSCGKSA-N 295.427 2.915 30 40 CFEB CC#CCNC(=O)Nc1ccc(OC)cc1Br 97166251 XQDFOKIXJNQOGR-UHFFFAOYSA-N 297.152 2.603 30 40 CFEB C=C(C)c1nc(C#N)c(N/N=C/c2ccccc2[N+](=O)[O-])o1 27562490 GTKIGZAQEUNPBY-LZYBPNLTSA-N 297.274 2.934 30 40 CFEB C=CCNC(=O)CSc1ncc(-c2ccccc2)o1 58200986 WEHNKTKCOCSNJE-UHFFFAOYSA-N 274.345 2.736 30 40 CFEB C=CCNC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2498145 XNZAQYOKLYRATD-JTQLQIEISA-N 262.353 2.741 30 40 CFEB Cc1nn(C)cc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4748738 RBIMOICZEHKRNC-VMPITWQZSA-N 271.276 2.533 30 40 CFEB CN(C(=O)COc1ccc(C#N)cc1)C1(C#N)CCCCC1 5868811 JHXLZYDWBWAWDA-UHFFFAOYSA-N 297.358 2.622 30 40 CFEB C/C(=N\Nc1ccc(Cl)nn1)c1ccccc1O 4925459 NUXKXQORMGPFOR-RIYZIHGNSA-N 262.700 2.672 30 40 CFEB CN(CCC#N)C(=O)Cc1cc(Cl)ccc1Cl 79331013 AISLCXKFTZOZFV-UHFFFAOYSA-N 271.147 2.908 30 40 CFEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3)cs2)c1 585292487 NLSYWUDRQAJDJT-LLVKDONJSA-N 285.376 2.968 30 40 CFEB O=C1N[C@H](c2cccs2)C(C(=O)c2ccccc2)=C1O 5409257 NONFNXXSKYCGLB-GFCCVEGCSA-N 285.324 2.614 30 40 CFEB CN(C)CCN(C)CC(C)(C)C(=O)/C=C/c1ccccc1 19364908 PJQUFKJSEWGUPU-VAWYXSNFSA-N 288.435 2.789 30 40 CFEB CC/C(=N\NC(N)=S)c1ccc2c(c1)CCCC2 5482113 VLNXMQTVMRZSBS-DTQAZKPQSA-N 261.394 2.513 30 40 CFEB CC(=O)Nc1ccc(C(=O)Nc2ccccc2C#N)cc1 40457409 SPGMFRRFUQOEIU-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB N#Cc1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1 50822267 IVTMHAQFNSEIEZ-UHFFFAOYSA-N 277.327 2.758 30 40 CFEB Cn1cc([C@@H]2CCCN2Cc2cccc(C#N)c2)cn1 69652211 IBXVPJKNCQICMH-INIZCTEOSA-N 266.348 2.629 30 40 CFEB Cc1c(C(=O)[C@H](C#N)C(=O)NC(C)C)oc2c(C)cccc12 103633253 VSQOUBQOIXZXRI-ZDUSSCGKSA-N 298.342 2.897 30 40 CFEB C[C@@H](CCc1ccco1)NC(=O)c1cccc(C#N)c1 42270929 LQRYXCGWXPKDDY-LBPRGKRZSA-N 268.316 2.902 30 40 CFEB Cc1cc(Cl)c2nsnc2c1/N=C/N(C)C 101193184 JHCWJOQYJGCFMD-LFYBBSHMSA-N 254.746 2.875 30 40 CFEB CCc1nc(C#N)c(NCc2ccc(OC)cc2)o1 26779527 OZCQYJJRPSPHRL-UHFFFAOYSA-N 257.293 2.729 30 40 CFEB CCOc1ccc(-c2nc(C#N)c(N(C)C)o2)cc1 3644697 TZFUMGSFPNXHCZ-UHFFFAOYSA-N 257.293 2.678 30 40 CFEB Cc1noc(C)c1CC(=O)Nc1ccc(C#N)c(Cl)c1 8775143 YBILACOFIXXHGZ-UHFFFAOYSA-N 289.722 2.998 30 40 CFEB Fc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1 6566324 RHFAVFGZCFNGGQ-VGOFMYFVSA-N 250.664 2.715 30 40 CFEB Cc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 5578614 DQIGYSGPNHOHLV-UHFFFAOYSA-N 250.301 2.797 30 40 CFEB N#Cc1cccc(C(=O)N[C@H]2CCc3ccccc32)c1 14903656 BHLHAAPHXGLZSI-INIZCTEOSA-N 262.312 2.976 30 40 CFEB N#CCCN(C(=O)CSc1ncccn1)c1ccccc1 6913482 LDVFFHUSGZZTJY-UHFFFAOYSA-N 298.371 2.516 30 40 CFEB C#CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C 15250552 SZPSWOKMQMRKEX-QGZVFWFLSA-N 292.338 2.895 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C)C1 16641868 ZWPNOVDUMPRILO-OLZOCXBDSA-N 272.348 2.584 30 40 CFEB C=CCNC(=O)Nc1ccc(OCc2cccnc2)cc1 71799357 HBXARYZYYZAAHZ-UHFFFAOYSA-N 283.331 2.968 30 40 CFEB C=CCn1nc(C)c(CCC(=O)NCc2ccccc2)c1C 72242988 BNAWEWLEUXGIMT-UHFFFAOYSA-N 297.402 2.935 30 40 CFEB CC[C@@H](C)CS(=O)(=O)/N=C(\O)Cc1ccc(F)cc1 79029189 UEGTVVFMBGDYIO-SNVBAGLBSA-N 287.356 2.701 30 40 CFEB Cc1cc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n[nH]1 89599058 ZANCZXDJKLAARO-INIZCTEOSA-N 280.375 2.969 30 40 CFEB C#CC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 390833000 AKFSVZOGRXEBAF-KRWDZBQOSA-N 278.355 2.979 30 40 CFEB COC[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 79090945 PUDMEYZUMOISQN-GFCCVEGCSA-N 262.328 2.556 30 40 CFEB C=CCCN1CCC(Oc2ncc(Cl)cn2)CC1 1888834735 OXDOCORQHVVZMI-UHFFFAOYSA-N 267.760 2.549 30 40 CFEB C[C@H]1C[C@H](C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 5739332 SNJSEVWIBFVQLE-QWRGUYRKSA-N 259.309 2.949 30 40 CFEB O=CC1(C(=O)c2ccc(Cl)cc2)SCCS1 5569382 KZLVPTDLSLFLEB-UHFFFAOYSA-N 272.778 2.898 30 40 CFEB N#Cc1ccnc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1888842709 XALLYPPYCKFCQR-KBPBESRZSA-N 279.347 2.522 30 40 CFEB CN(C)Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1 23898656 IBQIGJVRBASOQC-UHFFFAOYSA-N 279.343 2.872 30 40 CFEB CCOc1ccc(-c2nc(=S)[nH]c(O)c2C#N)cc1 8730731 AEMVTDYMJXBYBO-UHFFFAOYSA-N 273.317 2.782 30 40 CFEB CCOc1ccccc1CNC(=O)c1ccc(C#N)cc1 53163190 ZVVQTTRTUSVSDE-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB Cc1ccc2c(-c3csc(N=C(N)N)n3)c[nH]c2c1 27631794 BDLSKQXNMHDRLK-UHFFFAOYSA-N 271.349 2.505 30 40 CFEB C=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 3411037 VAQPCGRBAOARIN-UHFFFAOYSA-N 265.312 2.833 30 40 CFEB C[C@H](Oc1cccc(C#N)c1)C(=O)N(C)c1ccccc1 6401394 RDPKEZBYXGRSBR-ZDUSSCGKSA-N 280.327 2.989 30 40 CFEB CC(C)c1cc(/C=N/NC(N)=S)cc(C(C)C)c1O 408842681 ALRRXZNOIVMDNA-FRKPEAEDSA-N 279.409 2.806 30 40 CFEB CCCC/N=C(/NCCOc1ccccc1)NC(C)C 72283278 KQNSQTWDDUBJFN-UHFFFAOYSA-N 277.412 2.809 30 40 CFEB N#Cc1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1 75536098 DPAZQPWFHPBHBX-INIZCTEOSA-N 295.342 2.803 30 40 CFEB N=c1[nH]nc(-c2cccc(/N=C/c3ccco3)c2)s1 408718469 ZIHBWMPTRCPSQA-OVCLIPMQSA-N 270.317 2.961 30 40 CFEB CC(C)Cn1c(C#N)cc(N)c1N1CCC(C)CC1 225866482 IXGSPKNBBBRZNS-UHFFFAOYSA-N 260.385 2.834 30 40 CFEB C=CCn1c(C#N)cc(N)c1Oc1ccc(C(=O)OC)cc1 225887278 BDBVTCOKOKPKGP-UHFFFAOYSA-N 297.314 2.707 30 40 CFEB CC1(/C(O)=N/S(=O)(=O)c2ccc(N)cc2)CCCCC1 85565197 QSQZCWBPJSAUHW-UHFFFAOYSA-N 296.392 2.884 30 40 CFEB C#Cc1cc(F)c(NC(=O)N(C)C[C@H]2CCCO2)c(F)c1 96485745 QDNZWHUNQLXZDK-LLVKDONJSA-N 294.301 2.589 30 40 CFEB Cc1ccccc1-c1nnn(Cc2cccc(C#N)c2)n1 5169390 ZZVGJLDXAVGWDH-UHFFFAOYSA-N 275.315 2.569 30 40 CFEB C/C(CCSCc1ccccc1)=N/NC(N)=S 16893565 ZTBLQMYQBZFPBQ-UVTDQMKNSA-N 267.423 2.519 30 40 CFEB C=C(C)CNC(=O)N[C@H](COC)c1ccc(F)c(F)c1 156632793 ILLBRTFOAPGNKV-CYBMUJFWSA-N 284.306 2.528 30 40 CFEB Cc1ccc(C(=O)/C=C\[n+]2ccc(N(C)C)cc2)cc1 33374004 KOTPCARFGHUBKO-RAXLEYEMSA-N 267.352 2.702 30 40 CFEB C=CCc1nnc(NC(=O)c2ccc(F)cc2)s1 4817045 YUWQQZYPIPKIQN-UHFFFAOYSA-N 263.297 2.658 30 40 CFEB CSC1=N[C@@H](c2ccccc2)C(C(C)=O)=C(C)N1 6665712 JHWYNLXFDLUETJ-ZDUSSCGKSA-N 260.362 2.913 30 40 CFEB N#Cc1cccc(C(=O)Nc2cccnc2N2CCCC2)c1 47225663 VTXNBUFCSMKDLE-UHFFFAOYSA-N 292.342 2.806 30 40 CFEB CN(C)/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 3189879 ZPFNNLUQINIPQU-XDHOZWIPSA-N 291.358 2.830 30 40 CFEB O=C(/C=C/c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 12783335 WGFMQAYBFQZMCY-FPYGCLRLSA-N 282.274 2.891 30 40 CFEB Cc1ccc(NC(=O)COc2ccccc2C#N)cc1 3445412 AOKJAJHOOBSIMG-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB CS(=O)(=O)/N=C(\O)CCc1ccc2ccccc2c1 48619217 ZPPVGMZZWSJTBB-UHFFFAOYSA-N 277.345 2.689 30 40 CFEB C[C@@H](SCC(=O)NCCC#N)c1c(F)cccc1F 49065129 NADUMQHPOKUBKW-SECBINFHSA-N 284.331 2.789 30 40 CFEB CCC[C@@H](C)c1cc(NC(=O)c2ccc(C#N)cn2)[nH]n1 96440782 PTXUFAMOURVOFR-SNVBAGLBSA-N 283.335 2.832 30 40 CFEB CNC(=O)c1cnc(/C=C/c2cccc(C#N)c2)s1 65589640 ZZXIUJVNSVRIOC-AATRIKPKSA-N 269.329 2.545 30 40 CFEB C[C@H](C#N)NC(=O)CN(Cc1ccccc1)c1ccccc1 95441107 MMJKSFRKZDGGMG-OAHLLOKOSA-N 293.370 2.721 30 40 CFEB Cc1cccc(NC(=O)COc2ccc(/C=N\O)cc2)c1 409005553 FDOWRQCJPYSAOO-YVLHZVERSA-N 284.315 2.821 30 40 CFEB C=CCCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC 75092819 DCHIZWRRTWNUNP-WFASDCNBSA-N 275.348 2.619 30 40 CFEB C=C1[C@H]2C[C@H](C(=C)C(=O)O)CC[C@@]2(C)CC[C@H]1O 31157128 GQDFYCPPHMEHJL-BHPKHCPMSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CC(C)c1cc(NC(=O)c2cccc(C#N)c2)[nH]n1 49044654 VYZKCYAYZGTYJL-UHFFFAOYSA-N 254.293 2.657 30 40 CFEB N#Cc1nc(CCC2CCCCC2)oc1N1CCOCC1 96346351 MBVKYQAOCYYPQO-UHFFFAOYSA-N 289.379 2.896 30 40 CFEB N/C(=N\CCC[C@H]1CCCCO1)N1CCCCCC1 97376788 CSNFMVOMRQWUGB-CQSZACIVSA-N 267.417 2.526 30 40 CFEB N#Cc1cc(C(=O)N(CC2CCC2)CC2CC2)ccn1 280006164 KQEZETMZZMEBSK-UHFFFAOYSA-N 269.348 2.606 30 40 CFEB CCc1ccc(/C=N\N2CCN(c3ccccn3)CC2)cc1 13114003 FHKPGTROQGHUSW-HKWRFOASSA-N 294.402 2.800 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/C[C@@H]1COc2ccccc2O1 16849508 SSXIJBLVEYDTHT-LFMVTYOGSA-N 298.298 2.854 30 40 CFEB CC(C)(C#N)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 40122750 FPHKWQQASLQAFZ-AWEZNQCLSA-N 288.347 2.733 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C/Cc2ccccc2)cc1 4829297 MCIAAXHXHNXAFV-FOWTUZBSSA-N 288.372 2.502 30 40 CFEB CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N(C)C 12523215 LUFVOLHKWWVGAJ-AWEZNQCLSA-N 290.367 2.855 30 40 CFEB CC(C)(C)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3244692 JADVTKXABRSDLY-AWNIVKPZSA-N 271.704 2.676 30 40 CFEB Cc1ccc(OC2CCN(c3ccc(C#N)cn3)CC2)nc1 97109598 GAYPPSNIHJEZFJ-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB CC[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCC2 69452665 FBZGRMSBYYPHSK-INIZCTEOSA-N 256.349 2.526 30 40 CFEB COC(=O)Cc1ccc(OCc2ccc(C#N)cc2)cc1 9953456 GTXLJQBBRNWJRX-UHFFFAOYSA-N 281.311 2.853 30 40 CFEB N#C[C@@H](NCCN[C@@H](C#N)c1ccccc1)c1ccccc1 23477011 CLZGLFQJCGDSJU-HDICACEKSA-N 290.370 2.695 30 40 CFEB N#Cc1ccnc(NC[C@@H](c2ccco2)N2CCCC2)c1 32513723 FYLLJBRMVXYCNA-AWEZNQCLSA-N 282.347 2.795 30 40 CFEB COC(=O)[C@]1(C)O[C@]1(C)c1cccc(Br)c1 85657937 IZAGMFLSPAXDMZ-NEPJUHHUSA-N 285.137 2.626 30 40 CFEB C#CCOC(=O)c1ccc(-n2cccc2)cc1Cl 226244826 LXXAAOWQPDCILO-UHFFFAOYSA-N 259.692 2.921 30 40 CFEB CC(C)c1ccoc1C(=O)N=c1[nH]n(C(C)C)cc1C#N 330540080 RJHGODOOURNVJP-UHFFFAOYSA-N 286.335 2.726 30 40 CFEB Cc1nc(N=C(O)c2ocnc2C)cc(C2CC2)n1 330244192 CYQZKZXEKJGMDF-UHFFFAOYSA-N 258.281 2.595 30 40 CFEB O=C1OCCC/C1=N/Nc1ccc(C(F)(F)F)cc1 68605543 MTRZWIFGYAEEBR-YVLHZVERSA-N 272.226 2.810 30 40 CFEB CCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1 5719462 OEOOYOIJVJDCET-LDADJPATSA-N 277.327 2.841 30 40 CFEB C=C(C)CSc1nnc(-c2cccc(C)c2)n1N 16755932 SEPABTRSRWPCAW-UHFFFAOYSA-N 260.366 2.636 30 40 CFEB N#Cc1ccc(NC(=O)NCc2ccccn2)cc1Cl 40526454 LFVOSBZZIZHTBZ-UHFFFAOYSA-N 286.722 2.928 30 40 CFEB CCc1noc(C)c1C(=O)OCc1cccc(C#N)c1 32719152 CTESMLDMUDTSEE-UHFFFAOYSA-N 270.288 2.774 30 40 CFEB C=CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 973982 YXKOJRVHPNZCQY-FLIBITNWSA-N 277.370 2.779 30 40 CFEB N#CCc1ccc(NC(=O)Cc2cccs2)cc1 1075552 KADLCGLUUHRCFZ-UHFFFAOYSA-N 256.330 2.995 30 40 CFEB CN(C(=O)COc1ccc(C#N)cc1)C1CCCCC1 3288024 SXLFAPFUGKCGEI-UHFFFAOYSA-N 272.348 2.728 30 40 CFEB C[C@H]1NOC(=O)[C@H]1/N=N\c1ccc(Cl)cc1Cl 104287946 AVCZFBKFYDUHAM-NQPNVENXSA-N 274.107 2.896 30 40 CFEB CN(CCC#N)C(=O)c1csc(-c2ccccc2F)n1 64781977 CYOSJSJMCVYUGZ-UHFFFAOYSA-N 289.335 2.935 30 40 CFEB C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc(C#N)cc1 69580592 WDXWBBFELJJSKC-GFCCVEGCSA-N 267.332 2.713 30 40 CFEB CCCOc1cccc(N[C@@H](C)C(=O)N(C)CCC#N)c1 79029580 MBZSYDBIELNMTF-ZDUSSCGKSA-N 289.379 2.648 30 40 CFEB Cc1cc(/C(O)=N/S(=O)(=O)[C@@H](C)CC(C)C)c(C)o1 73826554 AOBUFMLSDMZIFT-JTQLQIEISA-N 287.381 2.965 30 40 CFEB N#Cc1ccc(NCCCNc2ccccn2)c([N+](=O)[O-])c1 47405370 RVXAEVHCCWXSAG-UHFFFAOYSA-N 297.318 2.776 30 40 CFEB C=CCOc1c(Br)cc(OC)cc1C(=O)O 225280144 IJVPYHRYXQAVIC-UHFFFAOYSA-N 287.109 2.721 30 40 CFEB N#Cc1ccc(N2CCCC2)cc1Br 95081084 ZPNNJXGSXFSWAB-UHFFFAOYSA-N 251.127 2.921 30 40 CFEB Fc1cc(C#CCO[C@@H]2CCCCO2)cc(F)c1F 95632759 ZZYVZQAHLVNOJX-CYBMUJFWSA-N 270.250 2.999 30 40 CFEB CCC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 49135724 AUNWRQFVMFZUHL-UHFFFAOYSA-N 279.720 2.924 30 40 CFEB Cc1cc(Br)ccc1C(=O)N(CC#N)C1CC1 58289651 FEWOTJBBAZEHOK-UHFFFAOYSA-N 293.164 2.886 30 40 CFEB CNC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1 1772715199 VRNPXWZJTVEWEO-UHFFFAOYSA-N 251.289 2.977 30 40 CFEB N/C(S)=N\Cc1ccccc1[C@H](O)c1ccccc1 6575730 LDRIYHLFTYSBJG-CQSZACIVSA-N 272.373 2.513 30 40 CFEB NC(=O)Cn1cc(/C=N/Nc2ccccc2)c2ccccc21 6548568 PLKABRSIKKYDEO-VXLYETTFSA-N 292.342 2.573 30 40 CFEB COC(=O)c1ccoc1COc1ccc(C#N)cc1OC 23434772 SKCCESXJWIRCRS-UHFFFAOYSA-N 287.271 2.525 30 40 CFEB CCN(CC#N)Cc1ccc(Br)s1 44296874 UGXVMHBCVJZFRU-UHFFFAOYSA-N 259.172 2.856 30 40 CFEB COc1cccc(CCCn2ccc(C)c(C#N)c2=O)c1 97114937 MQCGYGBBDVLKQT-UHFFFAOYSA-N 282.343 2.670 30 40 CFEB Cc1ccc(NC(=O)/C(O)=C/C(=O)C(C)(C)C)cc1 100931690 JIXYCMPIMGINEG-XFXZXTDPSA-N 261.321 2.991 30 40 CFEB COc1cc(C(=O)/C=C/c2cnc3ccccn23)ccc1O 71916335 APQCWFCRVOLNRU-SOFGYWHQSA-N 294.310 2.945 30 40 CFEB C=CCNC(=O)C[C@@H](C)[C@@H](CCCCC)C(=O)O 2294925 UMQNEISULVSVQF-VXGBXAGGSA-N 255.358 2.596 30 40 CFEB COc1ccnc(NN=C2C3CC4CC(C3)CC2C4)n1 46096997 VCHJMDMSVNJKNZ-UHFFFAOYSA-N 272.352 2.709 30 40 CFEB COc1cc([N+](=O)[O-])ccc1N/C=C1\CCCC1=O 5025760 FMVDIRFHWSMLBE-CMDGGOBGSA-N 262.265 2.652 30 40 CFEB C=C(Cl)CN([C@@H]1CCc2ccccc21)S(C)(=O)=O 69414615 HGHOECWISGLEIG-CYBMUJFWSA-N 285.796 2.688 30 40 CFEB CC[C@@H](OC1CCCCC1)C(=O)N[C@@]1(C#N)CCSC1 96473962 HCJPOKVGYBEFJS-UKRRQHHQSA-N 296.436 2.630 30 40 CFEB C=CCN/C(=N/[C@@H](C)c1cccs1)NC[C@H]1CCCO1 72271915 NRVJHYWJUQTPLQ-QWHCGFSZSA-N 293.436 2.709 30 40 CFEB CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CO1 72208110 ZRAQYCASVOBWRH-CQSZACIVSA-N 255.358 2.813 30 40 CFEB CSc1ccc(CO/N=C(/N)c2cccnc2)cc1 63456648 FNCIIMPULQCLGK-UHFFFAOYSA-N 273.361 2.641 30 40 CFEB CS[C@@H]1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1 98010346 SMUQGLFTKQJWIJ-ZIAGYGMSSA-N 274.389 2.962 30 40 CFEB CSC(C)(C)/C=N\OC(=O)NC(=O)c1ccccc1 16951308 GAMRDBNXXILIPJ-ZROIWOOFSA-N 280.349 2.680 30 40 CFEB C/C=C\C=C/C(=O)CC[C@@]1(C)OC(=O)C(C)=C1O 17139932 GQFGVUPBODCMSV-YOUBIVCXSA-N 250.294 2.616 30 40 CFEB Oc1ccc(/C=N/CC/N=C/c2ccc(O)cc2)cc1 18007159 NCCUCIVXVPMMDU-JYFOCSDGSA-N 268.316 2.636 30 40 CFEB N#Cc1ccc(NC(=O)Cn2cnc3ccccc32)cc1 5190986 OIQVHZGMFCFUNC-UHFFFAOYSA-N 276.299 2.547 30 40 CFEB CCC(CC)(CC(=O)Nc1cccc(C#N)c1)C(=O)O 11253207 RHQKBYGGNMJQMK-UHFFFAOYSA-N 274.320 2.778 30 40 CFEB C[C@H](NC(=O)CSCC#N)c1cccc(Cl)c1 32687174 FPCMXSDTSIJYMS-VIFPVBQESA-N 268.769 2.774 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)C[C@@H]2CCOC2)c(C)c1 102707525 VMWFJYDLNMIHBM-DZGCQCFKSA-N 285.343 2.622 30 40 CFEB CCCCCCCCCCCN(CCO)CCO 100077083 IJPXXOVHDMEUSR-UHFFFAOYSA-N 259.434 2.804 30 40 CFEB CSC(/N=C\N(C)C)=N/N=C\c1ccc(Cl)cc1 104244940 DKZXYLJDVYNGHD-DAJVRIBCSA-N 282.800 2.983 30 40 CFEB N#C[C@]1(NC(=O)Cc2c(F)cccc2Cl)CCSC1 58177924 YWOMALUJHDNDDG-CYBMUJFWSA-N 298.770 2.537 30 40 CFEB CCOc1ccc(/N=C\c2ccc(OCC(N)=O)cc2)cc1 100242845 XAFWJYKDZSLAOG-ODLFYWEKSA-N 298.342 2.700 30 40 CFEB C/C(=N/N=c1\[nH]c(C)c(C)s1)c1cccc([N+](=O)[O-])c1 13151625 JCBVBWQENIYFBM-DHDCSXOGSA-N 290.348 2.926 30 40 CFEB CC[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 5089206 PYSJLPZDWDLVBT-SECBINFHSA-N 291.420 2.885 30 40 CFEB Oc1ccc(/C=N/Nc2ccccc2Cl)c(O)c1O 5020658 QCQYXOWKUFUOGN-VIZOYTHASA-N 278.695 2.903 30 40 CFEB Cc1cc(O)cc2c1C(=O)/C(=C/c1ccncc1)O2 6662177 FUHZCSXZVIACBA-QPEQYQDCSA-N 253.257 2.712 30 40 CFEB C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 19497555 OTOMIICXPNUNMN-GHMZBOCLSA-N 264.756 2.821 30 40 CFEB CC[C@@H](C)NC(=O)CSCc1cccc(C#N)c1 7845800 JBYVIHQOFDESSK-LLVKDONJSA-N 262.378 2.706 30 40 CFEB Cc1ccc(CC(=O)N[C@@H](C#N)CC(C)C)s1 69529649 YPRCAUJEBQCOAW-LLVKDONJSA-N 250.367 2.654 30 40 CFEB CCCC/N=C(/NCCOc1ccccc1)N1CCCC1 72271881 VOGHYEUOUUUIAX-UHFFFAOYSA-N 289.423 2.907 30 40 CFEB CCN(CCC#N)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 84409375 YIELATASZKZRAS-UHFFFAOYSA-N 295.342 2.621 30 40 CFEB N#Cc1c(Cc2ccccc2)nn(Cc2ccccc2)c1N 225838552 IOCLDYAMCFDLAU-UHFFFAOYSA-N 288.354 2.976 30 40 CFEB C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCC 222751398 KGJYGMISEMHLOM-AWEZNQCLSA-N 288.391 2.506 30 40 CFEB N#Cc1ccc(N[C@H]2CCOC3(CCCC3)C2)nc1 98020519 XEUAHKWOFYBKSI-ZDUSSCGKSA-N 257.337 2.857 30 40 CFEB C=C(C)CNC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 275052121 WFHOYYFNAGDASQ-LSDHHAIUSA-N 292.354 2.921 30 40 CFEB CNc1nc(CNc2ccc(C#N)cc2[N+](=O)[O-])cs1 76061295 QJFUMOUDJBUBFQ-UHFFFAOYSA-N 289.320 2.577 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(Br)c(C)c1 100966031 SJLAIHYHIISEKT-WDZFZDKYSA-N 299.120 2.555 30 40 CFEB CC1(C)OB(c2cncc(Cl)c2Cl)OC1(C)C 208397332 YPRJPTVHFRCJEL-UHFFFAOYSA-N 273.956 2.688 30 40 CFEB in-vitro Cc1nn(-c2ccccc2)c2c1C(=O)/C(=N/O)C(C)(C)C2 5361301 JRJKVBITFGTXBG-SDXDJHTJSA-N 283.331 2.776 30 40 CFEB C=CCC(CCCC)(C(=O)OCC)C(=O)OCC 1717297 RNITVRORKFRQAT-UHFFFAOYSA-N 256.342 2.865 30 40 CFEB CC(C)[C@H](C)SCC(=O)N[C@](C)(C#N)C1CC1 79082511 BZZQSTRTGJQOKC-GXFFZTMASA-N 254.399 2.573 30 40 CFEB O=C1/C(=C\c2cccc(O)c2)Cc2c(O)cccc21 22135247 BGTZJYVFLMFMCJ-XFFZJAGNSA-N 252.269 2.920 30 40 CFEB C=C[C@@H](O)C#CC#C/C=C/[C@@H](O)CCCCCCC 72320238 DSVMWGREWREVQQ-ODQHEUEKSA-N 260.377 2.818 30 40 CFEB biogenic,in-vitro N#Cc1ccc(OCCOC(=O)c2cc(Cl)c[nH]2)cc1 25197927 DKFULAMWANBXGW-UHFFFAOYSA-N 290.706 2.776 30 40 CFEB N#CCc1ccc(NC(=O)CNc2cccc(F)c2)cc1 12616279 JLFFYZIPHZDXIV-UHFFFAOYSA-N 283.306 2.942 30 40 CFEB N#Cc1ccc(CO/N=C(/N)COc2ccccc2)c(F)c1 54193373 ROPFETBIQOABEO-UHFFFAOYSA-N 299.305 2.565 30 40 CFEB N#C[C@@]1(NC(=O)Cc2c(F)cccc2Cl)CCSC1 58177923 YWOMALUJHDNDDG-ZDUSSCGKSA-N 298.770 2.537 30 40 CFEB CC(=O)C1(C(C)=O)[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N 4092455 JWAHYGOEVHMUJL-ZDUSSCGKSA-N 286.718 2.635 30 40 CFEB N#Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 7265571 YIIKVMUIIWBFJF-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB Cc1nnc(SCc2cnc3ccccn23)c(C#N)c1C 97237201 FPESLLQZJXDHPG-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB C=C(Cl)COC(=O)c1c(C)nc(C)nc1SC 95948263 NNVWKOIIZOYPHC-UHFFFAOYSA-N 272.757 2.725 30 40 CFEB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)Cc1ccc(C#N)cc1 75147637 YYGIKKCEMYPPGE-CJNGLKHVSA-N 270.376 2.994 30 40 CFEB COC(=O)c1ccccc1Nc1ccc(N)cc1C#N 408712786 QVNUIPLVWSOVLP-UHFFFAOYSA-N 267.288 2.671 30 40 CFEB CC(C)=NOC(=O)NC(C)(C(F)(F)F)C(F)(F)F 4269800 XKGYBDFKXQTZHC-UHFFFAOYSA-N 280.168 2.992 30 40 CFEB biogenic CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1 126044464 YCYYVXIYNPKHHE-HNNXBMFYSA-N 283.375 2.812 30 40 CFEB C=CCNC(=O)CNC(C)(C)c1ccc(F)cc1Cl 74327052 YAQBDPOPMMMBTK-UHFFFAOYSA-N 284.762 2.606 30 40 CFEB N#Cc1ccnc(C(=O)NCCC2=CCCCC2)c1 282904782 HHQWOZLMAYULEU-UHFFFAOYSA-N 255.321 2.574 30 40 CFEB Cc1occc1C(=O)[C@H](C#N)C(=O)c1cccs1 103259717 QEGGJMJFUZILHS-JTQLQIEISA-N 259.286 2.855 30 40 CFEB Cc1cccc(N2CCN(c3cnccc3C#N)CC2)c1C 269968341 NRMAGMHQVNUPCX-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB O=C1O/C(=N\c2cccc([N+](=O)[O-])c2)c2ccccc21 17060421 XRMZLXKBLLDZAR-SQFISAMPSA-N 268.228 2.844 30 40 CFEB CCOC(=O)[C@H]1OC1(c1ccccc1)c1ccccc1 2042232 JRSQCUMYEAXYBA-OAHLLOKOSA-N 268.312 2.892 30 40 CFEB Cc1cccc(OCC(=O)Nc2cccc(C#N)c2)c1 142262 PKQPNMMHAZMBJY-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB N#CCSCC(=O)N1CCC[C@@H]1c1cccs1 41775276 WGOOHRANKHPGQE-SNVBAGLBSA-N 266.391 2.668 30 40 CFEB CS/C(=N\C#N)SCOc1ccc([N+](=O)[O-])cc1 4716385 LUMZBWFQXJJDLR-ZRDIBKRKSA-N 283.334 2.864 30 40 CFEB C/N=C1/S/C(=C\c2sccc2C)C(=O)N1C 12463203 ORYPKVJBBRPASI-QBJFVVIPSA-N 252.364 2.588 30 40 CFEB N#Cc1ccccc1OCc1nc(N)c2ccccc2n1 12565065 RAKQOUCFMCNIKK-UHFFFAOYSA-N 276.299 2.663 30 40 CFEB COc1ccccc1NC(=S)N/N=C1\C[C@H]2C=CC[C@H]12 23741261 RLYWNVFIGLKBCR-CVQDRVJJSA-N 287.388 2.934 30 40 CFEB C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccc1C#N 7937956 XOUJTODXFNBRCQ-QWHCGFSZSA-N 298.342 2.785 30 40 CFEB C[S@@](=O)c1ccccc1C(=O)OCc1ccc(C#N)cc1 8490446 XASQZMMOMLTSKL-NRFANRHFSA-N 299.351 2.653 30 40 CFEB CCOc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1 31342666 JGIOVVVMPBCGGA-SXGWCWSVSA-N 286.291 2.835 30 40 CFEB C=CCN1C(=O)N/C(=C/c2cn(CC)c3ccccc23)C1=O 39556379 DEBWZAOYDPKXDO-GXDHUFHOSA-N 295.342 2.740 30 40 CFEB C=CCCC(=O)NC[C@H]1CCCN1c1ccccc1 211114424 SVFSSUQBTCFXIT-OAHLLOKOSA-N 258.365 2.738 30 40 CFEB N#Cc1ccc(O)c(NC(=O)c2ccc(Cl)cn2)c1 96450057 OWVOOQBNWBWONC-UHFFFAOYSA-N 273.679 2.565 30 40 CFEB C=C(C)CN(CC)C(=O)c1cccnc1SC 55206488 CPDIVGHETZHXMY-UHFFFAOYSA-N 250.367 2.842 30 40 CFEB O=C(CCc1ccc(-c2ccccc2)[nH]1)/N=C1/NCCS1 77597830 BMDAOTRGTULYQE-UHFFFAOYSA-N 299.399 2.833 30 40 CFEB C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1O 95944365 NFRPMXFSGDXSSN-RNCFNFMXSA-N 284.281 2.784 30 40 CFEB CN1CCc2c(C#N)c(Cl)nc(N3CCCCC3)c2C1 13756639 XDVWRWMIZUYFNV-UHFFFAOYSA-N 290.798 2.585 30 40 CFEB COc1ccc(/C=N\N=C/c2ccco2)cc1OC 16919245 FAKJCAIHVZPCKQ-VULZFCBJSA-N 258.277 2.750 30 40 CFEB CC(=O)C(=NNc1ccc(SC(F)F)cc1)C(C)=O 5446835 OXPZTUKPGCDHHY-UHFFFAOYSA-N 286.303 2.947 30 40 CFEB N#Cc1ccc(CNCCc2ccc3c(c2)OCCO3)cc1 20827518 BPRJHHPRYJGSAU-UHFFFAOYSA-N 294.354 2.662 30 40 CFEB N#CCCN(CC(F)(F)F)C(=O)c1cccs1 76092210 NIFNAZFZNLGGKP-UHFFFAOYSA-N 262.256 2.666 30 40 CFEB CC[C@@H](C#N)NC(=O)C[C@@H]1CCCc2ccccc21 71888270 QJELLYUZKDAGQO-KBPBESRZSA-N 256.349 2.915 30 40 CFEB C[C@@H](C1CC1)N(C(=O)c1ccc(C#N)cc1)C1CC1 46059035 ACCWGVGXOGKVNQ-NSHDSACASA-N 254.333 2.961 30 40 CFEB C=C(C)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 14110178 GBFIRDMVPUTJKI-CQSZACIVSA-N 278.739 2.683 30 40 CFEB CC(=C/c1ccccc1)/C=N/NC(=S)NC1CC1 70037819 BLTNRYXERKRNCF-LFHBGGBDSA-N 259.378 2.702 30 40 CFEB Cc1cccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1 408750745 RGTUUCSANKPPDF-NVNXTCNLSA-N 256.265 2.744 30 40 CFEB CCCCCn1c(C#N)cc(N)c1OCCOCC 225876423 AXSFVDVCCSIQLG-UHFFFAOYSA-N 265.357 2.547 30 40 CFEB C[C@H]1CC(C)(C)C[C@@](CO)(NCCCCC#N)C1 96452932 TUDJYRFHRJRBAN-ZFWWWQNUSA-N 252.402 2.847 30 40 CFEB Cc1ccc(-c2cc(Cn3cnc(C#N)c3C#N)on2)cc1 97379957 YOZQIGCPZLKTLB-UHFFFAOYSA-N 289.298 2.638 30 40 CFEB C[C@H](CC#N)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12 78420491 QEAAXUURYNWJHL-SNVBAGLBSA-N 273.311 2.610 30 40 CFEB C[C@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 5881372 QJSXZFGMWPPBTD-JTQLQIEISA-N 270.292 2.574 30 40 CFEB N#CCCN1C(=O)S/C(=C\c2ccccc2)C1=O 12136841 ROMFZBBIJSONPM-LUAWRHEFSA-N 258.302 2.637 30 40 CFEB C=CCC(C(=O)OCC)(C(=O)OCC)/C(C)=C\C 16929424 LODRQDTYNUBEBW-XFFZJAGNSA-N 254.326 2.641 30 40 CFEB O=C(/C=C/c1ccccc1)c1ccccc(=O)c1O 16940622 XYNNMVSSEFDMLL-ZHACJKMWSA-N 252.269 2.649 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCCCC2)c(Cl)c1 7856303 ZVGSSMGCRQPGAG-UHFFFAOYSA-N 278.739 2.603 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccccc2F)cc1 9217739 HJJAUHKIUOSLIP-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB COC1=CC2(C=C(OC)C1=O)CC(C)(C)N=C2SC 1423327 BMUJDHJSLADKNN-UHFFFAOYSA-N 281.377 2.560 30 40 CFEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc(C)c(C)c1 40134924 XXILXTXFSKVPSH-MRXNPFEDSA-N 270.376 2.730 30 40 CFEB CC(C)CCNC(=O)Cn1cc(C#N)c2ccccc21 51319035 YVRFGVYSYXHHBR-UHFFFAOYSA-N 269.348 2.675 30 40 CFEB COC(=O)c1ccc(/N=C/c2ccccc2O)cc1 485332 DNMJZIFVMMRREY-MHWRWJLKSA-N 255.273 2.929 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1 12527444 PQJWGNZXVBKQKH-UHFFFAOYSA-N 275.311 2.590 30 40 CFEB C#CC(C)(C)OC(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100364678 OJFOSOPSIPJWLB-UMAATMKPSA-N 274.360 2.893 30 40 CFEB C=CCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 48343601 VTLQFRAMJNXNNO-UHFFFAOYSA-N 285.313 2.799 30 40 CFEB O=C1CCCC2=C1/C(=N/O)C[C@H]1c3ccccc3CCN21 12889046 DKBIHLNAKPTGKH-VUODPORTSA-N 282.343 2.827 30 40 CFEB biogenic COc1ccc(N/N=C(\C#N)c2nc3ccccc3[nH]2)cc1 4477258 XTRBPYFPXXRMLN-RCCKNPSSSA-N 291.314 2.911 30 40 CFEB N#Cc1cc(N2CCCO2)nc2ccc(Cl)cc12 96011364 KYBNBWHKTSRVKO-UHFFFAOYSA-N 259.696 2.902 30 40 CFEB Cc1ccnc(NC[C@@H]2CCN(c3ccc(C#N)cn3)C2)c1 97200979 IJOQOMHZNPCIPH-HNNXBMFYSA-N 293.374 2.595 30 40 CFEB COCCC1(NCCOc2ccccc2C#N)CCCC1 95454717 PCCADNTXZHIGAP-UHFFFAOYSA-N 288.391 2.876 30 40 CFEB CS[C@H]1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1 98010343 ICGIOPJBBKONOC-NEPJUHHUSA-N 266.410 2.861 30 40 CFEB C=CCN1CCN(CCOc2ccc(Cl)cc2)CC1 44868014 PQTCZZKMLZRFLH-UHFFFAOYSA-N 280.799 2.522 30 40 CFEB N#Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)nc1 84233754 XLHWOTVYHJKLAH-UHFFFAOYSA-N 297.280 2.758 30 40 CFEB O/C(Cn1ccc2ccccc21)=N\c1nc(C2CC2)n[nH]1 95479906 GSJNELCUJQGPIE-UHFFFAOYSA-N 281.319 2.925 30 40 CFEB COc1ccccc1CN1C(=O)/C(=N/O)c2cc(C)ccc21 95946624 ZAHYCPPIBIKQNI-FBMGVBCBSA-N 296.326 2.729 30 40 CFEB N#Cc1ccc(CCC(=O)N[C@@H]2CCC23CCOCC3)cc1 585408911 KWNGEBAHWRUSKE-MRXNPFEDSA-N 298.386 2.566 30 40 CFEB C=CCNc1nc(Cl)nc2cc(OC)c(OC)cc12 11756086 HRVAADMDAVTDFW-UHFFFAOYSA-N 279.727 2.898 30 40 CFEB C=CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14095683 FBXAUFWLTQNYSG-UHFFFAOYSA-N 299.349 2.806 30 40 CFEB N#Cc1cnc(N2CCC(F)(F)CC2)c(Cl)c1 619504244 USIGGIKRCUPKAT-UHFFFAOYSA-N 257.671 2.842 30 40 CFEB N#Cc1cccnc1NCc1ccc(N2CCCC2)nc1 40067601 QSPRKLKTGZNROR-UHFFFAOYSA-N 279.347 2.561 30 40 CFEB CCc1nc(NCCCOC)c(C#N)c2c1CCCC2 20591288 PKKWLUZIVNGYEG-UHFFFAOYSA-N 273.380 2.843 30 40 CFEB Oc1ccc(O)c([S+]2C[C@H]3CCCC[C@@H]3C2)c1 4696899 JIFZVEPPPITASM-GHMZBOCLSA-O 251.371 2.895 30 40 CFEB Cc1cccc(N2CCN(c3ccc(C#N)cn3)CC2)c1 12536611 FWABNTMAAXYTOI-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB in-vitro CC(C)(C)c1ccc(Cn2c(N)nc(C#N)c2C#N)cc1 12734227 OESLGIKSKLHEHA-UHFFFAOYSA-N 279.347 2.554 30 40 CFEB N#Cc1c(C2CC2)cc(-c2ccc([N+](=O)[O-])cc2)nc1N 20477775 TXMVAMDDWFIVPI-UHFFFAOYSA-N 280.287 2.988 30 40 CFEB N#Cc1ccccc1NC(=O)c1cc2ccccc2oc1=O 13320243 KQQYKWWOAUHAMC-UHFFFAOYSA-N 290.278 2.917 30 40 CFEB COC(=O)C1=C(C)N/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 3908625 CXBYNVCTEKXMAC-GXDHUFHOSA-N 299.370 2.944 30 40 CFEB C=CCNc1nnc(SCc2cc(C)on2)s1 7838189 FBZVVUWOCHXUJN-UHFFFAOYSA-N 268.367 2.725 30 40 CFEB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](C)C#N 69454226 HCQLNJPXLVXGGL-BDAKNGLRSA-N 286.253 2.501 30 40 CFEB C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccc(C#N)cc1 126045762 OUNCFIVRQVMZTA-GUYCJALGSA-N 297.402 2.610 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@@H]1CS 79437013 VAGLKMSOSUKOHS-GFCCVEGCSA-N 251.351 2.717 30 40 CFEB Cc1cc(C)nc(NC(=O)c2cccc(C#N)c2)c1 38869664 BVPOSHSFOUHNAL-UHFFFAOYSA-N 251.289 2.822 30 40 CFEB Cc1ccc(COc2nn(CC(C)C)c(N)c2C#N)cc1 225834635 YNXJFOBFXKGZRO-UHFFFAOYSA-N 284.363 2.880 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2ccc(C)cc2)n1 223671792 SPMSVCXQPQYIBQ-UHFFFAOYSA-N 284.388 2.942 30 40 CFEB CNC(=O)C(C)(C)CNc1cc(C#N)ccc1C(F)(F)F 97163630 OQUGRWIZUQQYMJ-UHFFFAOYSA-N 299.296 2.761 30 40 CFEB OC1=NN=C(C(F)(F)F)/C1=N/Nc1ccccc1Cl 16450247 DUHGCGNAJIYKNW-UHFFFAOYSA-N 290.632 2.996 30 40 CFEB CCCC[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 1684408 BMKFSYAXODOSHM-SRMXYGTFSA-N 281.268 2.533 30 40 CFEB CCOc1cc(C#N)ccc1OC(=O)c1ccc(C)nc1 32896000 AKQLXGTWFHDROH-UHFFFAOYSA-N 282.299 2.880 30 40 CFEB CCOP(=O)(OCC)[C@@H](C#N)Cc1ccco1 1638787 BUAJNNUBCLUMGD-LLVKDONJSA-N 257.226 2.980 30 40 CFEB COc1ccccc1/C=N/N=C/c1ccccc1O 1709464 RWTYDYAMJSXTOG-OTYYAQKOSA-N 254.289 2.854 30 40 CFEB CCCS(=O)(=O)/N=C(\O)Cc1cc(C)ccc1C 78868922 AQZMPENYQAZSID-UHFFFAOYSA-N 269.366 2.542 30 40 CFEB CC[C@@H](C)/N=C(\N)SCc1nnsc1Cl 24514147 YJCFGRTZBLNEPP-RXMQYKEDSA-N 264.807 2.538 30 40 CFEB CC[C@]1(C)N/C(=N/c2cccc(Cl)c2)OC1=O 58357127 ABQDJLTVSZQJCQ-LBPRGKRZSA-N 252.701 2.643 30 40 CFEB CCCCCCCNC(=O)c1ccc([N+](=O)[O-])o1 2473780 QAXXTRPCIOBEKF-UHFFFAOYSA-N 254.286 2.888 30 40 CFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)C1CCCCC1 48541007 OOLBCRMNZNROFM-AWEZNQCLSA-N 276.380 2.724 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3518675 XOHVSOWRLODBJT-UHFFFAOYSA-N 266.256 2.539 30 40 CFEB Cn1ncc(/N=C/c2ccc(Cl)cc2Cl)c1C(N)=O 13961095 UYXJMZUWPAMKPQ-FZSIALSZSA-N 297.145 2.576 30 40 CFEB N#CCSc1nnc(N2CCCCC2)n1-c1ccccc1 7071828 VYNFKOPTFKCVKK-UHFFFAOYSA-N 299.403 2.873 30 40 CFEB N#CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68767449 CMACJVOSASJAQL-IUCAKERBSA-N 269.131 2.737 30 40 CFEB C[C@@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1cccc(C#N)c1 7937907 ISKGVPIPDYYUFK-OLZOCXBDSA-N 298.342 2.785 30 40 CFEB C/N=C(/NCCCN(C)CC(F)(F)F)c1cccs1 71843651 CAVDEIBZEPTKFX-UHFFFAOYSA-N 293.358 2.598 30 40 CFEB COc1ccc(Nc2nccnc2C#N)cc1OC(C)C 95940464 ISLXCELZPRGUNI-UHFFFAOYSA-N 284.319 2.888 30 40 CFEB C(=N/Nc1ncnc2[nH]cnc12)\c1ccc2ccccc2c1 44928572 MGIFYIVHWNVOTF-ODCIPOBUSA-N 288.314 2.952 30 40 CFEB COC(=O)[C@]1(C)O[C@@]1(C)c1ccccc1Br 85657895 YDTQTVDNNUAZHY-RYUDHWBXSA-N 285.137 2.626 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1(C)CC1 332147378 HZJBEZWNFNGHHJ-UHFFFAOYSA-N 292.404 2.653 30 40 CFEB CCCC(CCC)C(=O)ON1C(=O)c2ccccc2C1=O 1880299005 HTEXQWDLDIPUSM-UHFFFAOYSA-N 289.331 2.957 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@H](C)Sc1ccc(OC)cc1 69490796 MWIIHLSIPYSFNE-NWDGAFQWSA-N 292.404 2.984 30 40 CFEB Cc1cc(OCc2ncccc2C)c(C#N)c(C)n1 95983450 RQVLBHMQMNNQAM-UHFFFAOYSA-N 253.305 2.853 30 40 CFEB CC(C)C(/C=C/c1ccc(Cl)cc1)=N\NC(=S)NN 5954510 VTLQMLSUPNJTPZ-PCECAMATSA-N 296.827 2.703 30 40 CFEB C=CCNC(=S)Nc1cccc(Br)c1 13786940 HNLDPDIRYYTMEO-UHFFFAOYSA-N 271.183 2.922 30 40 CFEB C[C@H]1C[C@@H](C)CN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 15228181 QIPJLDIRSZAQEG-PHIMTYICSA-N 284.319 2.820 30 40 CFEB Cc1ccc(-c2csc3ncn(CC#N)c(=O)c23)cc1 98487 ILGDIZUFDLDPCP-UHFFFAOYSA-N 281.340 2.957 30 40 CFEB CCOC(=O)/C(=N/O)C1=NC(C)(C)Cc2ccc(C)cc21 1438322 AWFBLPWKUAFXFL-NBVRZTHBSA-N 288.347 2.512 30 40 CFEB O=C1Oc2ccccc2[C@@H](O)[C@H]1/C=N/c1ccc(F)cc1 226757371 UXLXEMCDYFPAFJ-ISLAFVSSSA-N 285.274 2.797 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 38868 YWCQLKFTKGNJPQ-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB C[C@@H]1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1 20503047 LIKHXLCMRMLWIA-SNVBAGLBSA-N 264.332 2.722 30 40 CFEB C[C@@H](c1ccc(F)cc1)N(C)C/C(O)=N/c1nncs1 32927391 KXDOYHMPXWJZLO-VIFPVBQESA-N 294.355 2.958 30 40 CFEB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 2632541 SWFFSSBGFMAOKN-GFCCVEGCSA-N 296.326 2.973 30 40 CFEB C[C@]1(CO)CCC[C@@H]1Nc1c(F)cc(C#N)cc1F 76061171 CLJRTEFOFOWPRG-GXTWGEPZSA-N 266.291 2.799 30 40 CFEB O=C(/C=C\c1ccc(O)cc1)c1ccc(O)cc1O 3869607 DXDRHHKMWQZJHT-BAQGIRSFSA-N 256.257 2.700 30 40 CFEB biogenic,in-vitro COc1cccc(C#C[C@@]2(O)CCC[C@H]3C(=O)CCC[C@@H]32)c1 4532460 ZENPXSROBMXPQX-AOIWGVFYSA-N 298.382 2.947 30 40 CFEB c1ccc(C2=NOC[C@]3(c4ccccc4)O[C@@H]23)cc1 104251690 DAOMNHVYJDEFOU-JKSUJKDBSA-N 251.285 2.715 30 40 CFEB Cc1c(C(=O)/C=C/c2csnn2)cnn1-c1ccccc1 58203168 XIFXEAVJYOEVKY-BQYQJAHWSA-N 296.355 2.928 30 40 CFEB Cc1ccc(-c2nc(C#N)c(NCc3cnn(C)c3)o2)cc1 61997366 BCAUMNVEOTWXPG-UHFFFAOYSA-N 293.330 2.867 30 40 CFEB C[C@H]1Cc2cc(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)ccc2O1 4601231 UGIAYUVFJAZDDS-NTOSSWPYSA-N 293.326 2.930 30 40 CFEB Cc1ccccc1-c1cc(C2CCNCC2)c(C#N)c(N)n1 71711896 BUIBVUCFSRIQBN-UHFFFAOYSA-N 292.386 2.978 30 40 CFEB N#Cc1ccc(NC(=O)CNc2ccccc2F)cc1 7972170 HSVMCEHELYELCN-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB N#C[C@@H](NC(=O)c1ccc(F)nc1)c1ccccc1Cl 81400154 MEOFLPARZDHNBT-GFCCVEGCSA-N 289.697 2.869 30 40 CFEB COc1ccc(C)cc1C(=O)[C@@H](C#N)c1ccccn1 73971200 FLUNYSLIEIRODD-ZDUSSCGKSA-N 266.300 2.889 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccco1 409040271 HPZADPHACFZNQA-XRVIQIRUSA-N 278.127 2.994 30 40 CFEB C=CCOc1cccc(NC(=S)NCCC)c1 63790957 HAFKBEAQBJTJOL-UHFFFAOYSA-N 250.367 2.948 30 40 CFEB CCn1cccc1/C=N/OCc1ccccc1C#N 408596155 PVIIUXZJVWZBCL-GZTJUZNOSA-N 253.305 2.930 30 40 CFEB C[C@H]1CN(c2nc3cc(Cl)ccc3cc2C#N)CCO1 41194159 KCRWBFPHMQNSHN-JTQLQIEISA-N 287.750 2.985 30 40 CFEB C=C[C@@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1 190477839 KHYZMNABCBDCGN-DZGCQCFKSA-N 287.359 2.670 30 40 CFEB C=CC[C@H](C)[C@H](C)NCc1ccc(S(C)(=O)=O)cc1 96476711 WLIZSHZWRWEFHS-STQMWFEESA-N 281.421 2.780 30 40 CFEB C[C@@H]1C[C@@H](c2ccsc2)CN1S(=O)(=O)CCCC#N 96421287 OAGVLMDLGJAOPT-DGCLKSJQSA-N 298.433 2.559 30 40 CFEB CCCCCCCCC(C)(C)NC(=O)CN1CCOCC1 95752859 FCYWRZRVEWXGCQ-UHFFFAOYSA-N 298.471 2.964 30 40 CFEB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C)(C)C#N 97145669 LFNRMZYWABTHGH-CYBMUJFWSA-N 286.375 2.781 30 40 CFEB N#CC1(C(=O)Nc2cc(F)ccc2O)CCCCC1 96452117 MVQDSUOQRMRDPY-UHFFFAOYSA-N 262.284 2.944 30 40 CFEB N#Cc1cccc(Nc2nc(Cl)nc(Cl)n2)c1 152821 AUFWCRWUKLWVCY-UHFFFAOYSA-N 266.091 2.794 30 40 CFEB COC1=C/C(=N/Br)C=C/C1=N/Br 17130212 JWIJZVGXGSQZDI-NJWBCTSZSA-N 293.946 2.588 30 40 CFEB Cc1nc(N)sc1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 17210665 CWIAFEBOESXPRW-DAXSKMNVSA-N 289.316 2.838 30 40 CFEB C#CCn1/c(=N/C(=O)C2CC2)sc2cccc(Cl)c21 100910264 MWGQWIRLFNQAAA-PEZBUJJGSA-N 290.775 2.827 30 40 CFEB CC(=O)Nc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 8748113 VPULBKSLMFGFHX-UHFFFAOYSA-N 293.326 2.963 30 40 CFEB N#Cc1ccc(Cn2ccc(C(F)(F)F)n2)cc1 42356352 CAGXZEFACHCAOQ-UHFFFAOYSA-N 251.211 2.822 30 40 CFEB N#Cc1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3151986 KPFCTSPVNYQSOW-UHFFFAOYSA-N 295.210 2.586 30 40 CFEB C[C@@H]1CN(Cc2ccccc2)CCN1CCCCC#N 71897372 IMRZGMKDKBOXEH-MRXNPFEDSA-N 271.408 2.887 30 40 CFEB N#Cc1ncn(CCC23CC4CC(CC(C4)C2)C3)n1 36389787 GCCTYUKKDMTZDE-UHFFFAOYSA-N 256.353 2.756 30 40 CFEB Cc1ccc(NS(=O)(=O)c2ccccc2C#N)c(F)c1 12788951 GSEHOTXJWVKLFS-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB COc1ccc(-c2n[nH]c(SCCCC#N)n2)cc1 6141612 IKDAPDJPPDHJMR-UHFFFAOYSA-N 274.349 2.876 30 40 CFEB C=C(C(=O)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@@]2(O)C1 14451646 UEQIFFFWXPAQCB-QEJZJMRPSA-N 250.338 2.905 30 40 CFEB biogenic NC1=CC(=C2C(=O)c3ccccc3C2=O)Nc2ccccc21 4741336 NSXNKJTVXOSGBH-UHFFFAOYSA-N 288.306 2.745 30 40 CFEB C=CCn1cnc2sc3c(c2c1=O)CCCCC3 19796959 MKJLJYGEUSGRGX-UHFFFAOYSA-N 260.362 2.913 30 40 CFEB Cc1cc(F)ccc1NCC(=O)N[C@@](C)(C#N)C(C)C 15328174 JABAFECWISCSTD-HNNXBMFYSA-N 277.343 2.601 30 40 CFEB C[C@@H](NCC(=O)NC1(C#N)CCCC1)[C@H](C)c1ccccc1 97110043 CENMEDFABCGRCH-LSDHHAIUSA-N 299.418 2.721 30 40 CFEB N#Cc1csc(CNCCOc2ncccc2Cl)c1 95415589 XMNIERMLTYTKLL-UHFFFAOYSA-N 293.779 2.837 30 40 CFEB N#Cc1nccn1Cc1ccccc1C(F)(F)F 152192775 UFKPTFHIVASDBO-UHFFFAOYSA-N 251.211 2.822 30 40 CFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccccc1 39560685 KAZXIDLUSZKKBL-YESZJQIVSA-N 256.393 2.673 30 40 CFEB biogenic,in-vitro C=CCOc1ccc(Oc2nccnc2C#N)cc1 78559377 VMBJYMWUHCUXRG-UHFFFAOYSA-N 253.261 2.705 30 40 CFEB CSC[C@@](C)(O)CNc1c(Cl)cccc1C#N 96453721 REVXNCWQXYTSJH-LBPRGKRZSA-N 270.785 2.738 30 40 CFEB N#CCCN(Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 72581186 YEVGDFDXLMTZKD-UHFFFAOYSA-N 284.338 2.889 30 40 CFEB CCOC(=O)/C(=C\c1ccncc1)C(=O)c1ccccc1 5732653 WFQCYAUYZKZOQR-QINSGFPZSA-N 281.311 2.911 30 40 CFEB COc1ccccc1/C=C1C(=N/O)/C2CCN/1CC2 13111766 FZWUCEJPJYFOOI-IKKSVTPCSA-N 258.321 2.592 30 40 CFEB CC1=NOC(=O)/C1=C\Nc1ccc(Br)cc1 17111285 ZPUQVDIEEHRGMJ-POHAHGRESA-N 281.109 2.678 30 40 CFEB COc1cc(OC)cc(C(=O)Oc2ccc(C#N)cc2)c1 3562064 DOTPTNYVLWHFBZ-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB Cc1cc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n[nH]1 78901037 YBPVLYTVLCBJPV-INIZCTEOSA-N 280.375 2.969 30 40 CFEB O=[N+]([O-])c1cccc(/N=C\c2cccc([N+](=O)[O-])c2O)c1 103287549 NRFOSFBTPOSIJT-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCCC#N)C1=O 69150463 VGPGIAMRZFVPCG-MRXNPFEDSA-N 297.314 2.504 30 40 CFEB C[C@@H]1CCCN(c2cc(C#N)c(Br)cn2)C1 91366357 TYHFLFSMTONRII-SECBINFHSA-N 280.169 2.952 30 40 CFEB N#Cc1c(F)cccc1N1CCc2c(ncn2C2CC2)C1 69414967 DTYWEHPDFRASLK-UHFFFAOYSA-N 282.322 2.791 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 9691531 BHHBUTRSONJVFB-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB COC[C@@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 95434105 IARBKXIDSLZGAL-MEBBXXQBSA-N 296.317 2.503 30 40 CFEB CNC(=O)c1ccc(COc2cccc(F)c2C#N)cc1 89391881 PUPZWESTKBWDHD-UHFFFAOYSA-N 284.290 2.636 30 40 CFEB CCCC(C#N)(CCC)NC(=O)c1cc(OC)ccn1 89949494 ACAAZXDGHSAWFY-UHFFFAOYSA-N 275.352 2.683 30 40 CFEB CN(C)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 408724437 KJWQBSHYYMXOAY-OQLLNIDSSA-N 269.308 2.668 30 40 CFEB C=CCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084708 VCVQSDPPDYLQKB-ZROIWOOFSA-N 271.103 2.704 30 40 CFEB C=CCN(C)[C@@H](CO)c1cccc(Br)c1 96487666 KKNKQDPQRFKJQR-LBPRGKRZSA-N 270.170 2.600 30 40 CFEB CC(C)c1nc(CSc2cc(C#N)ccn2)no1 64653441 LPQVGNJXSFUVPA-UHFFFAOYSA-N 260.322 2.752 30 40 CFEB CC1(C)[C@H]2C[C@H]3C(=CC[C@H]4C(=O)C=CC(=O)[C@H]43)[C@@H]1C2 5103453 LMMRHMDTCZGYNN-BYIGHTSFSA-N 256.345 2.939 30 40 CFEB CN(C)/C=N/c1nc(C(Cl)(Cl)Cl)ns1 2570339 WFJHGUGVUSLMIQ-XCVCLJGOSA-N 273.576 2.586 30 40 CFEB COc1ccc(/C=N/OC(=O)c2ccccc2)c(OC)c1 290458 IMPKQPQFQLNFLG-GZTJUZNOSA-N 285.299 2.895 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 33147126 OMVUTWRIYRLAAZ-INIZCTEOSA-N 291.310 2.690 30 40 CFEB CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CCCC2=O 2701524 BLUSGNNWSAYVIE-CQSZACIVSA-N 274.295 2.529 30 40 CFEB N#Cc1cccc(CNC(=O)N2CCc3sccc3C2)c1 44968970 ZNGFLLNZJKJKMQ-UHFFFAOYSA-N 297.383 2.888 30 40 CFEB N#Cc1ccccc1Cn1cnc2cc(Cl)ccc2c1=O 17735554 RWISQLDQXRCPBB-UHFFFAOYSA-N 295.729 2.970 30 40 CFEB CCOc1ccccc1NC(=O)COc1ccc(C#N)cc1 5108847 FSBINQJBNPBDQN-UHFFFAOYSA-N 296.326 2.974 30 40 CFEB C=CCNC(=S)N/N=C1/CCCCc2ccccc21 6317474 CRVKFSUGBHFTLT-VKAVYKQESA-N 273.405 2.767 30 40 CFEB N#C[C@@H](C(=O)C1CCCCC1)c1nnc2n1CCCCC2 65533699 JYYQTWINWSORMV-ZDUSSCGKSA-N 286.379 2.761 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)Oc2cccc(C#N)c2)c1C 68236458 XZDZGUBZFSSGOJ-UHFFFAOYSA-N 282.299 2.925 30 40 CFEB CCOc1ccc2cc(C(=O)N[C@@H](C#N)CC)[nH]c2c1 69485499 IXEIYUHBTWORDI-LLVKDONJSA-N 271.320 2.599 30 40 CFEB O=C1Nc2ccccc2/C1=N/N=C/c1cc(Cl)ccc1O 36617178 PSGSDCBORHZMCF-CAOOACKPSA-N 299.717 2.821 30 40 CFEB COc1cc(N=C(O)N2CCC(C)=C(C)C2)ccn1 329242791 AJQLYIBLRIPHOT-UHFFFAOYSA-N 261.325 2.678 30 40 CFEB C[C@@H](O)C1CCN(c2c(Cl)cccc2C#N)CC1 98013785 CCXJIKXERUAAAF-SNVBAGLBSA-N 264.756 2.809 30 40 CFEB C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H]1OC 252483201 DXDHMFFQJNDJBB-ZFWWWQNUSA-N 275.348 2.549 30 40 CFEB CC(C)(C)OC(=O)N1CCCC2(CC(C#N)C2)C1 199440202 AIUYJUWHTHCCCE-UHFFFAOYSA-N 250.342 2.937 30 40 CFEB CC1(C)OB(c2c(F)cc(F)cc2Cl)OC1(C)C 202611962 QLLZFQJHZVMIEV-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB Cc1nc(CNc2ccc(C#N)cc2[N+](=O)[O-])cs1 40122889 SBYIAQFGRALMHN-UHFFFAOYSA-N 274.305 2.844 30 40 CFEB CCN(Cc1ccccc1)S(=O)(=O)CCCCC#N 20180249 WGYDAJMMJDNRCC-UHFFFAOYSA-N 280.393 2.532 30 40 CFEB CC(C)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cn1 40541282 VSXSBEBOILAECM-UHFFFAOYSA-N 295.342 2.670 30 40 CFEB Cc1ccc(S(=O)(=O)c2ccc(C#N)c(C#N)c2)cc1 576977 IWCOOVHIDUMCAB-UHFFFAOYSA-N 282.324 2.571 30 40 CFEB CNc1nc(CNc2cccc(F)c2C#N)cs1 76061283 VZSJZZIBWSOUAD-UHFFFAOYSA-N 262.313 2.808 30 40 CFEB C=CCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C 6604127 DJZKFXBBLMPLBO-OAHLLOKOSA-N 270.332 2.802 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 26087842 UHGMWOKIFFASOF-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB N#Cc1c(F)cccc1NC1CCC2(CC1)OCCO2 36138821 SBPDRTDUTYQGSJ-UHFFFAOYSA-N 276.311 2.795 30 40 CFEB C=CCOc1ccc(CNCCN(CC)CC)cc1OC 22075892 CEVWLWPPZVUCRM-UHFFFAOYSA-N 292.423 2.691 30 40 CFEB O=C(/C=C/c1cccnc1)c1ccc2c(c1)CCO2 14202511 PANUIHJACHXPSE-HWKANZROSA-N 251.285 2.913 30 40 CFEB C(=N/n1cnnc1)\c1ccccc1OCc1ccccc1 5518537 VOCKZYWAAUUGLZ-VXLYETTFSA-N 278.315 2.739 30 40 CFEB Cc1cccc(NC(=O)CNc2ccc(C#N)cc2)c1 15122376 SMPKIISSQJVGHE-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB CC[C@H](C#N)NC(=O)CCc1cccc(Cl)c1 69416462 CMYFAUHWSYKYRY-GFCCVEGCSA-N 250.729 2.691 30 40 CFEB Cc1nn(C)cc1[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 71904214 WLOLWHHARLGUKF-VIFPVBQESA-N 285.307 2.682 30 40 CFEB COc1ccc(C#N)cc1CN(C)[C@@H](C)CSC 95431394 VMJYPLDXUWOBMZ-NSHDSACASA-N 264.394 2.750 30 40 CFEB N#Cc1ccnc(SCC[S@@](=O)c2ccccc2)c1 95949819 ODRTUYOAQNIOIZ-IBGZPJMESA-N 288.397 2.853 30 40 CFEB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(CC#N)C2 85398909 ZCRNYFRNZGBEHU-MNOVXSKESA-N 256.143 2.813 30 40 CFEB CC[C@@H](C)c1nc(B2OC(C)(C)C(C)(C)O2)cs1 198090221 ZCICFRLEQDGFIN-SECBINFHSA-N 267.203 2.956 30 40 CFEB C=CCN1C(=O)N/C(=C/c2ccc(C(C)C)cc2)C1=O 479348 MNCVZGCOOHTWAD-GXDHUFHOSA-N 270.332 2.889 30 40 CFEB CN(C)[P+](Cc1ccccc1)(N(C)C)N(C)C 5509138 JGTUMZJDTJDJJR-UHFFFAOYSA-N 254.338 2.634 30 40 CFEB N#CCSCC(=O)N[C@@H]1CCSc2ccc(F)cc21 32820973 UFBVWNSGSBUTJA-LLVKDONJSA-N 296.392 2.736 30 40 CFEB Brc1ccc(CO/N=C/c2csnn2)cc1 32916279 ATTDWVIONKMGSG-LFYBBSHMSA-N 298.165 2.851 30 40 CFEB COC(=O)CSc1nc2c(C)cccc2cc1C#N 421671 MNHZJEUDFYNCIG-UHFFFAOYSA-N 272.329 2.680 30 40 CFEB C=CCNC[C@H](O)COc1ccc(OC)cc1C(C)(C)C 2624422 NNMYNYKTXZZEIW-ZDUSSCGKSA-N 293.407 2.508 30 40 CFEB C=C1C[C@]2(CCC[C@]3(CC(=C)C(=O)O3)C2(C)C)OC1=O 1557792 MNOOTCTZYTWUSS-HOTGVXAUSA-N 276.332 2.680 30 40 CFEB N#Cc1nc(N[C@@H](CO)Cc2ccccc2)ccc1Cl 78869065 DKXVYVIAIHMGPX-GFCCVEGCSA-N 287.750 2.622 30 40 CFEB CC/C=C/C(=O)OCc1cn2ccccc2c1C#N 22416641 CUJMVRWHLHUFFU-XVNBXDOJSA-N 254.289 2.820 30 40 CFEB CCCSc1sc2c(O)cc(=O)[nH]c2c1C#N 4945392 XZLONKJLPPEHCG-UHFFFAOYSA-N 266.347 2.669 30 40 CFEB O=C(/C=C/c1ccsc1)c1cccc(-n2cnnn2)c1 7700216 DTBNPFOZOBHZDA-SNAWJCMRSA-N 282.328 2.620 30 40 CFEB C[C@@H]1CN([C@H](C#N)c2ccc(Br)cc2)CCO1 106540689 VCIWPYYCAPRKTH-ZWNOBZJWSA-N 295.180 2.734 30 40 CFEB CCN(CC)CCS[C@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965137 GVFGLOFMASWGON-ACIFZNPZSA-N 256.415 2.690 30 40 CFEB CC/N=C1/S/C(=C/c2ccco2)C(=O)N1CC 109596679 UAVGRZIWQYUHPE-QZWQQMBISA-N 250.323 2.592 30 40 CFEB N#Cc1c(F)cccc1NC1CCN(c2ncccn2)CC1 48367886 XNHINKUWVLNUQQ-UHFFFAOYSA-N 297.337 2.568 30 40 CFEB C=C(Cl)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 9583489 GMNJVADVIYVRQI-UHFFFAOYSA-N 255.701 2.743 30 40 CFEB CCCCCCCCNC(=O)CCCC(=O)OC 98001240 DWZKHCXRZHZSIG-UHFFFAOYSA-N 257.374 2.806 30 40 CFEB O=[N+]([O-])c1cccc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1 408965195 ULZQTPOUFSKNBB-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccncc1 43329959 YEUYHTJDXDCTNM-LLVKDONJSA-N 266.304 2.836 30 40 CFEB CCC(=O)NCCNc1nc2ccc(CC)cc2cc1C#N 35311097 DAHMEDAUYKDSFO-UHFFFAOYSA-N 296.374 2.607 30 40 CFEB COC(=O)[C@@H]1O[C@@]1(C)c1ccc(Cl)c(Cl)c1 85657632 PUDPDUDWUQLGDN-ONGXEEELSA-N 261.104 2.780 30 40 CFEB CN1CC[C@@H](Nc2ccc(C#N)nc2)[C@H]1c1ccccc1 225599700 RFFAENLKMKGDHP-IAGOWNOFSA-N 278.359 2.811 30 40 CFEB C=C(Cl)CN1CCC(NC(=O)c2ccccc2C)CC1 96483271 DGUJDYZDLYOGIU-UHFFFAOYSA-N 292.810 2.942 30 40 CFEB CC[C@H](C)NC(=O)[C@H](Sc1cc(C#N)ccn1)C(C)C 77909047 GOSXGFUFYURSRR-SMDDNHRTSA-N 291.420 2.985 30 40 CFEB O=C(/C=C/c1ccccn1)c1ccc2c(c1)OCO2 4186849 UJKWGBIWIBDQPR-AATRIKPKSA-N 253.257 2.706 30 40 CFEB O=C1NC(=O)c2cc(/N=C/c3ccc(Cl)cc3)ccc21 64407 AOIMEJMQAHSQLC-CAOOACKPSA-N 284.702 2.974 30 40 CFEB Cc1cccc([C@H]2CCCC[C@@H]2OS(C)(=O)=O)c1 1706510 XSFJGIWUKTVDRU-KGLIPLIRSA-N 268.378 2.997 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 23623593 OOIYKSXXEVEFSP-OLZOCXBDSA-N 272.348 2.727 30 40 CFEB N#Cc1ccc2c(c1)C(=O)O[C@H]2c1ccc(F)cc1 22059487 VVXGNGGTQDOLGK-AWEZNQCLSA-N 253.232 2.957 30 40 CFEB in-vitro Oc1cccc(/N=C\c2ccc(N3CCOCC3)cc2)c1 105856590 RYJGLQZZROKXEW-AQTBWJFISA-N 282.343 2.979 30 40 CFEB O=C(/C=N/O)CCCCCCN1CCCCCC1 20189255 FSQUTSYEUHSIMK-FYWRMAATSA-N 254.374 2.842 30 40 CFEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)OCCO3)cc1 5108527 YSNKRSZSKXXOIF-UHFFFAOYSA-N 295.294 2.591 30 40 CFEB C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc(C#N)cc1 69580589 WDXWBBFELJJSKC-LBPRGKRZSA-N 267.332 2.713 30 40 CFEB C=C[C@H](C)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 97142995 SNVYTIDVDWQRFY-QWHCGFSZSA-N 293.436 2.711 30 40 CFEB Cn1cc(C(=O)Nc2ccccc2SCCC#N)cn1 95953611 XYEPSYUYLUCGNV-UHFFFAOYSA-N 286.360 2.678 30 40 CFEB CCCN(C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1 75137392 RAJYGUOZMHVVKI-AWEZNQCLSA-N 293.798 2.753 30 40 CFEB CC/N=C(\NCC)NCc1ccc(OC(C)C)cc1 66242721 LOAMWJRZSHYVNI-UHFFFAOYSA-N 263.385 2.549 30 40 CFEB COc1ccc(CNC2=CC(=O)c3ccccc3C2=O)cc1 4262820 WNNYFWXXPBFZQK-UHFFFAOYSA-N 293.322 2.748 30 40 CFEB biogenic N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1 78604208 SEBBFPMXJGLDTF-QGZVFWFLSA-N 277.371 2.927 30 40 CFEB CC1(C)OB(c2csc(-c3ccco3)n2)OC1(C)C 198089698 NRZCVPVNRRQLJX-UHFFFAOYSA-N 277.154 2.702 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C)cc1 225324384 WIPUUMYZPGBYFN-AWEZNQCLSA-N 273.332 2.689 30 40 CFEB C[C@H](O)C1CCN(c2c(Cl)cccc2C#N)CC1 98013784 CCXJIKXERUAAAF-JTQLQIEISA-N 264.756 2.809 30 40 CFEB Fc1cccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095918 SGBBFBKDHSSXGN-VHSXEESVSA-N 250.191 2.845 30 40 CFEB N#C[C@@H](NC(=O)CC1(O)CCCC1)c1ccc(Cl)cc1 73455130 MGVISYSJYOQMAC-CYBMUJFWSA-N 292.766 2.716 30 40 CFEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc21 536677 SJNIVFZEKRLLEP-AUWJEWJLSA-N 283.239 2.917 30 40 CFEB CC(C)(C#CC[N+](C)(C)C)OC(=O)Nc1ccccc1 5292494 QASDWRQABCZWPZ-UHFFFAOYSA-O 275.372 2.723 30 40 CFEB CCOC(=O)/C(=C\c1ccc[nH]1)C(=O)c1ccccc1 5810717 KOYOUOVADJXSRE-KAMYIIQDSA-N 269.300 2.844 30 40 CFEB CCOC(=O)[C@H](C#N)c1ccc(OC)c(Br)c1 584602996 KCSMQRDMJWRDQH-SECBINFHSA-N 298.136 2.628 30 40 CFEB N#Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 11919445 JAQJCWQKPPYZCW-UHFFFAOYSA-N 282.324 2.750 30 40 CFEB CN(C)c1oc2ccc3ccccc3c2c(=O)c1C#N 1572558 HOFDWMNKVFGRIG-UHFFFAOYSA-N 264.284 2.884 30 40 CFEB O=C(C[N+]1(c2ccccc2)CCOCC1)c1ccccc1 1667626 YCVTUSIXNJAXKA-UHFFFAOYSA-N 282.363 2.907 30 40 CFEB in-vitro CCCC/N=C/c1c(O)c2ccccc2n(CC)c1=O 100177134 RIICENBWXTVOOH-GZTJUZNOSA-N 272.348 2.946 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc3cn[nH]c3c2)cc1 25786115 LUSARXPHQBTYRB-UHFFFAOYSA-N 277.283 2.792 30 40 CFEB COC[C@](C)(C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 95436213 XQPALMPEZXYBMH-ABAIWWIYSA-N 294.782 2.563 30 40 CFEB N#Cc1ccc(CSCC(=O)NCc2ccncc2)cc1 44948647 CEMCMPSLNDEIPK-UHFFFAOYSA-N 297.383 2.503 30 40 CFEB C=CCNC(=O)CSc1nc2ccccc2s1 3503879 RINBMLLGGBBFCJ-UHFFFAOYSA-N 264.375 2.691 30 40 CFEB CC(C)COCCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 48813509 QNJIUVHZSMKQNQ-GFCCVEGCSA-N 285.347 2.802 30 40 CFEB COc1ccc(/C=N/[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 4785715 CZTMDZPKDBTDSQ-OCCSGTKHSA-N 260.381 2.843 30 40 CFEB N#CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 17173203 CVUOJHAPCQXLOU-CYBMUJFWSA-N 295.298 2.577 30 40 CFEB C=CCNCc1c(OCC(=O)O)ccc2ccccc12 62717009 XJWUFXWPMDUOCO-UHFFFAOYSA-N 271.316 2.579 30 40 CFEB N#Cc1ccccc1NC(=O)Nc1ccccc1O 3851010 DDIOGHWDVFNZCZ-UHFFFAOYSA-N 253.261 2.908 30 40 CFEB biogenic C=CCCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)O 220410343 HHQAESPSKCGLNL-ZDUSSCGKSA-N 257.330 2.711 30 40 CFEB CO[C@H](CNC(=O)C(C)(C)C#N)c1cccc(Cl)c1 81324986 MYXOPLUTNGTDON-GFCCVEGCSA-N 280.755 2.693 30 40 CFEB Cc1cc(C)nc(NC(=O)c2ccc(C#N)cc2)c1 89224869 WGPNDSFRBUAARQ-UHFFFAOYSA-N 251.289 2.822 30 40 CFEB CCc1ccc(NC(=O)c2cscn2)c(C#N)c1 195580418 UELVBUYXXMXMQO-UHFFFAOYSA-N 257.318 2.829 30 40 CFEB C=CCNC(=O)Cn1c(-c2ccco2)cc2cccnc21 12219385 KMWUVONIOOOKAT-UHFFFAOYSA-N 281.315 2.599 30 40 CFEB COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 517528 WZFMANOGYLDCFN-LBPRGKRZSA-N 299.370 2.942 30 40 CFEB biogenic COC(=O)[C@H](C)CSc1cccc(F)c1C#N 78837310 MBCIWVALTIULQJ-MRVPVSSYSA-N 253.298 2.599 30 40 CFEB C#CCOC(=O)COc1ccc(Cl)cc1Cl 6157375 SVHHWVFHHIGLDN-UHFFFAOYSA-N 259.088 2.549 30 40 CFEB C[C@H](Oc1cccc(Cl)c1)C(=O)N(CC#N)C1CC1 58282830 ADWGXYVARGAAKP-JTQLQIEISA-N 278.739 2.622 30 40 CFEB C#CCOc1ccccc1/C=N/NCc1ccccc1OC 20762685 UDZYSPKDNCIPPK-XSFVSMFZSA-N 294.354 2.831 30 40 CFEB COc1ccccc1CCNc1nnc(C)c(C)c1C#N 29374301 QNBUIGLVTRLUSN-UHFFFAOYSA-N 282.347 2.628 30 40 CFEB O=C(O)c1cccc(N/N=C2\CCc3c(O)cccc32)c1 13458491 NUBYFTVMPXRDGL-NBVRZTHBSA-N 282.299 2.853 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 5602143 LXMQNJHXOKUOIV-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CCC(=O)/N=C1/N=C2C=CC=CN2Cc2ccccc21 15634751 BFPQIUOULNYIGX-FBMGVBCBSA-N 265.316 2.667 30 40 CFEB COc1cc(C#N)ccc1OC(=O)c1cccs1 15988526 VAHNKUUHAFPAQE-UHFFFAOYSA-N 259.286 2.848 30 40 CFEB CCCOc1ccc(Cn2cccc(C#N)c2=O)cc1 91596569 XMMVAGUIULRDOU-UHFFFAOYSA-N 268.316 2.557 30 40 CFEB Cc1ccn(Cc2nc(C(C)(C)C)cs2)c(=O)c1C#N 97114943 AMHRRZZPRXJPJM-UHFFFAOYSA-N 287.388 2.831 30 40 CFEB CC#CCN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 97599182 OHRPIVBDKDVQOK-GOSISDBHSA-N 292.338 2.630 30 40 CFEB Cc1cccc(C(=O)N(c2ccccc2)[C@H](C)C#N)n1 98013253 PCMGWGSBENXQIB-CYBMUJFWSA-N 265.316 2.949 30 40 CFEB Cn1cc([C@@H]2CCCN2Cc2ccccc2C#N)cn1 75127322 ZNENIOXSNYNRHU-INIZCTEOSA-N 266.348 2.629 30 40 CFEB COc1cccc2c1OC[C@@H](NCc1cccc(C#N)c1)C2 77412438 LHQQCGHMJLPANY-INIZCTEOSA-N 294.354 2.660 30 40 CFEB Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(Cl)n1 96300549 PKDFDJUDEVKSSO-ROCHPLJESA-N 258.774 2.925 30 40 CFEB CCO[C@@H](C)OCC#Cc1cc(F)ccc1OC 95633643 AIPHVGQGJBNKRD-LLVKDONJSA-N 252.285 2.585 30 40 CFEB CCOc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 220703671 SWWNLEQOWNMAHZ-UHFFFAOYSA-N 262.158 2.693 30 40 CFEB in-vitro C=CCN(C1=NCCN1)c1c(Cl)cccc1Cl 3723 OXTYVEUAQHPPMV-UHFFFAOYSA-N 270.163 2.945 30 40 CFEB investigational N#CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 54527 ZXLYBZWZYMPBQU-FNORWQNLSA-N 297.270 2.906 30 40 CFEB CCN1CCc2c(C#N)c(Cl)nc(Cl)c2C1 20841297 HFTYPXIKYVYASG-UHFFFAOYSA-N 256.136 2.638 30 40 CFEB Cc1ccc(/C(N)=N/OC(=O)Cc2ccccc2F)cc1 8986177 IYXDGGBVQZFKQQ-UHFFFAOYSA-N 286.306 2.540 30 40 CFEB CCNC(=S)N/N=C/c1c(OC)ccc2ccccc12 3281537 RDCDNKROKUHFOG-LICLKQGHSA-N 287.388 2.666 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1cccc(-n2cccc2)c1 63747553 AVCKJNFLLYCGNY-ZDUSSCGKSA-N 267.332 2.709 30 40 CFEB C/C(=N\N=c1\[nH]c(C)cs1)c1cccc([N+](=O)[O-])c1 6925368 KPGUEPIGLRBESM-NTEUORMPSA-N 276.321 2.618 30 40 CFEB CSC[C@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 96451388 NWKJJJBYDWSBPP-JQWIXIFHSA-N 254.399 2.574 30 40 CFEB Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C#N)c2ccsc2)n1 71847759 CCPKWPMFYVNBGL-YPMHNXCESA-N 288.376 2.504 30 40 CFEB CC[C@@H](C#N)NC(=O)C[C@H]1CCCc2ccccc21 71888272 QJELLYUZKDAGQO-KGLIPLIRSA-N 256.349 2.915 30 40 CFEB CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C#N 225812493 IIOISLIDEIVAJH-INIZCTEOSA-N 288.347 2.711 30 40 CFEB CCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1 225859679 HWJQNXBPIUXBFD-UHFFFAOYSA-N 282.347 2.533 30 40 CFEB COc1ccc(CS(=O)(=O)CCCC#N)cc1Cl 190941178 JQKHQJDCXGJARP-UHFFFAOYSA-N 287.768 2.567 30 40 CFEB CCc1ccccc1-n1nc(C#N)c(N2CCC(C)CC2)n1 256046820 IFZLVBTZKBBULT-UHFFFAOYSA-N 295.390 2.938 30 40 CFEB C#CCN1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 50023981 MDHVTNPWGNQGIR-GOSISDBHSA-N 296.414 2.525 30 40 CFEB Oc1ccccc1/C=N/c1ccc(F)c2c(O)n[nH]c12 15952559 VEHBFNVYOQKNMS-FRKPEAEDSA-N 271.251 2.864 30 40 CFEB N#Cc1ccc(-n2cnc(Cl)c2Cl)c([N+](=O)[O-])c1 161016 IIBPYXJXGBXODE-UHFFFAOYSA-N 283.074 2.959 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ccccc1F 6402220 IBZZFSCLLGVVJM-CQSZACIVSA-N 280.368 2.972 30 40 CFEB COc1ccc(/C=N\C[C@@H]2COc3ccccc3O2)cc1 100354362 ZXCNJOYESMHLQH-YQYFLZKSSA-N 283.327 2.954 30 40 CFEB CCN(C(=O)c1oc(C)nc1C)c1ccc(C#N)cc1 96483865 DDOSZJNLNPCSLJ-UHFFFAOYSA-N 269.304 2.830 30 40 CFEB C[C@H](NC(=O)[C@]12C=CC(=O)[C@@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 103926271 SHGFSCRXFLSRDX-RAUAQOBKSA-N 293.366 2.811 30 40 CFEB C#CCn1c(C)nc(-c2cccc(Br)c2)c1N 100761350 LEFCWTWUNSNXSL-UHFFFAOYSA-N 290.164 2.836 30 40 CFEB C#Cc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1 43985834 YHEJIFCRTRVDDJ-LBPRGKRZSA-N 265.316 2.946 30 40 CFEB C=CCNc1oc(COc2ccc(F)cc2)nc1C#N 1805372 AJASAFMDKPNZFY-UHFFFAOYSA-N 273.267 2.862 30 40 CFEB CN(C[C@H]1COc2ccccc2O1)c1cccc(F)c1C#N 58358206 FXGKDOAKKUMJAI-LBPRGKRZSA-N 298.317 2.974 30 40 CFEB CC(C)(C#N)S(=O)(=O)c1ccc(Br)cc1 37934600 BZURLKRPSDLFMG-UHFFFAOYSA-N 288.166 2.525 30 40 CFEB in-vitro O=C(NCC#Cc1ccccc1)c1ccccc1F 12873108 JHTMCIGRYMCYOS-UHFFFAOYSA-N 253.276 2.607 30 40 CFEB Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C#N 7711042 RWQXVNROKUCFGJ-VIFPVBQESA-N 254.289 2.921 30 40 CFEB CC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 17249252 UMOKSQDRCMLPNF-UHFFFAOYSA-N 275.759 2.631 30 40 CFEB CCN(C[C@H](C)C#N)c1sc(C(C)=O)cc1[N+](=O)[O-] 95465671 SFXMXEFQGJVLHL-MRVPVSSYSA-N 281.337 2.845 30 40 CFEB C/N=C1/S/C(=C/c2ccccc2Cl)C(=O)N1C 408929632 LWMFWKICLMZHTL-ZZZNDOSKSA-N 266.753 2.872 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)CC2CCC2)c(C)o1 97231243 QNMWZQMPUIZBGM-UHFFFAOYSA-N 271.338 2.732 30 40 CFEB C=CCCN1CCC(Cn2cnc3ccccc3c2=O)CC1 1776008116 ZKFZJIAYYUJGHS-UHFFFAOYSA-N 297.402 2.685 30 40 CFEB C=C(C)CSc1nnc(NC[C@H]2CCCO2)s1 40473946 UNUPBUKWIMYHOD-SECBINFHSA-N 271.411 2.797 30 40 CFEB CCN(CCO)c1ccc(/N=C/c2ccccc2O)cc1 315257 GWBNXPZXNTZROW-QGOAFFKASA-N 284.359 2.961 30 40 CFEB Cc1ccc(/C=N/S(=O)(=O)Cc2ccccc2)cc1 18038324 LEJCESJQUICURH-LFIBNONCSA-N 273.357 2.944 30 40 CFEB O=C1C(=O)N(C2CCCCC2)C/C1=C\c1ccc(O)cc1 6221078 JXGUKIGHBXLZSZ-JLHYYAGUSA-N 285.343 2.520 30 40 CFEB C[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 3445501 FCCZQKZWODFKEF-ZDUSSCGKSA-N 280.327 2.814 30 40 CFEB N#Cc1ccc(N2CCC[C@H](CO)C2)c(C(F)(F)F)c1 78524682 FNVLLRHMPFBESN-NSHDSACASA-N 284.281 2.786 30 40 CFEB CC(=O)C(C)(C)Cc1cc(C(C)(C)CC=O)on1 1612388 MSAQBHKSNNHOQZ-UHFFFAOYSA-N 251.326 2.699 30 40 CFEB Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1 553406 ZREGLHYIEYIJGQ-UHFFFAOYSA-N 266.300 2.832 30 40 CFEB COc1ccc(/C=N/[C@H]2C[C@H](C)N(C)C[C@H]2C)cc1 4785713 CZTMDZPKDBTDSQ-LMTSGECZSA-N 260.381 2.843 30 40 CFEB COCCCNc1oc(-c2ccc(C)cc2)nc1C#N 1792950 YBKJFMRLAZVNLK-UHFFFAOYSA-N 271.320 2.970 30 40 CFEB N#Cc1c(F)cccc1Nc1cnn(C[C@H]2CCCO2)c1 58426668 YFKDKPCLMIUGBG-GFCCVEGCSA-N 286.310 2.816 30 40 CFEB C=CCNc1nnc(S[C@H]2CCCCC2=O)s1 11526849 UBBZAKZHKCEKAP-VIFPVBQESA-N 269.395 2.740 30 40 CFEB C=C(C)CCOC(=O)[C@@H]1CC(=O)Nc2ccccc21 96442863 WUEDJEUGMTXHPY-GFCCVEGCSA-N 259.305 2.622 30 40 CFEB N#Cc1cc(N)c(Br)n1Cc1ccc(F)cc1 225889672 RDKMRZWBNZWJCP-UHFFFAOYSA-N 294.127 2.892 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1ccc(-n2cccn2)cc1 97377717 KUKXXYGMIAJYBD-GFCCVEGCSA-N 283.335 2.686 30 40 CFEB C=CCc1cc(CN2CCC[C@H](OC)C2)cc(OC)c1O 91772452 YSCVIJYOMSPGPJ-HNNXBMFYSA-N 291.391 2.740 30 40 CFEB Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(Cl)n1 96300550 PKDFDJUDEVKSSO-UDYBNVKDSA-N 258.774 2.925 30 40 CFEB C=C(Cl)CNC(=O)N(C)CCc1cccs1 96440444 JLKCOVITMRWRDQ-UHFFFAOYSA-N 258.774 2.685 30 40 CFEB C#CCCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 97101462 PCDZHYWRMSSSDY-UHFFFAOYSA-N 260.293 2.751 30 40 CFEB CCCNc1nn(-c2cc(C)cc(C)c2)nc1C#N 256046564 GRPJPTNWRWWYDP-UHFFFAOYSA-N 255.325 2.578 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)CCOC[C@@H]1CO1 1772820750 TWCJOWYWRWBKKP-RXMQYKEDSA-N 270.144 2.625 30 40 CFEB CC(=O)Nc1ccc(/C=N\N=C\c2ccccc2O)cc1 5030476 TXLIKAKIPJQNFE-ICFDZUSXSA-N 281.315 2.804 30 40 CFEB C(=N/CCN1CCN[C@@H]1c1ccccc1)\c1ccccc1 19319554 WXLYTNKFGBSFBI-CMAIMYMYSA-N 279.387 2.710 30 40 CFEB N#C[C@H](NCCN[C@@H](C#N)c1ccccc1)c1ccccc1 19365141 CLZGLFQJCGDSJU-ROUUACIJSA-N 290.370 2.695 30 40 CFEB C=CCc1cccc(/C=N/Nc2ccncc2)c1O 6317532 FDSWTKCVXROLGB-GZTJUZNOSA-N 253.305 2.962 30 40 CFEB Cc1ccccc1N[C@]1(C#N)C(=O)Nc2ccccc21 348522 CWIUDZUHMUXNST-INIZCTEOSA-N 263.300 2.778 30 40 CFEB C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)no1 78421020 JPOBSRQDPYZPBD-LLVKDONJSA-N 269.304 2.716 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1sccc1C)C2 107049301 QDHUFWITUBDQQR-YNEHKIRRSA-N 277.389 2.862 30 40 CFEB C[C@@H](NC(=O)COc1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106538393 DULQILFMXWOMET-RMRKRWHISA-N 298.386 2.878 30 40 CFEB Cc1cccc(C(=O)NCC#Cc2ccccc2)c1[N+](=O)[O-] 12733776 AWYPWEAZHUXKLA-UHFFFAOYSA-N 294.310 2.685 30 40 CFEB N/C(=N\OCc1c(F)cccc1Cl)c1ccccn1 4051647 RYYBANPDLUVJRR-UHFFFAOYSA-N 279.702 2.711 30 40 CFEB Cc1ccc(O)cc1/N=N/c1nc(C#N)c(C#N)[nH]1 4817945 UWZIOWFLJWCGGE-ISLYRVAYSA-N 252.237 2.582 30 40 CFEB CCOCCCNC(=S)NN=C1CCCCCC1 71885903 JZCCRBXFMRUIHX-UHFFFAOYSA-N 271.430 2.587 30 40 CFEB CCn1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)cn1 75093812 CFSGGLKZOSKKCC-LLVKDONJSA-N 269.304 2.693 30 40 CFEB CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1 408993495 DMMFVEXOENOESX-NTEUORMPSA-N 274.280 2.700 30 40 CFEB C[C@@H]1O[C@H](C)[C@H](C(=O)NCC2(C#N)CCCCC2)[C@H]1C 529517137 HNDFOJOCVRWPGU-IGQOVBAYSA-N 278.396 2.636 30 40 CFEB C=CCNc1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1 36614159 NBNMTUBFMRRRJQ-UHFFFAOYSA-N 297.284 2.977 30 40 CFEB C=CCOC(=O)c1ccc2[nH]c(-c3cccnc3)nc2c1 216728647 OGAUHHPPWNAQFS-UHFFFAOYSA-N 279.299 2.968 30 40 CFEB C=CCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 44385409 XPWAUAQAJICTQR-UHFFFAOYSA-N 284.768 2.599 30 40 CFEB Cc1nc(C)c(CCNc2cc(C#N)ccn2)s1 330031624 BGQWBAXIJNRFSB-UHFFFAOYSA-N 258.350 2.681 30 40 CFEB N#Cc1ccnc(Nc2nc(C3CCNCC3)cs2)c1 585292681 NEZICMMNCNQIOM-UHFFFAOYSA-N 285.376 2.620 30 40 CFEB CCOC(=O)CC/C(C)=N\N=C(/C)CCC(=O)OCC 16923027 UJBJVLSIXKNCDO-UKVBVZPVSA-N 284.356 2.510 30 40 CFEB N#CC1(c2ccccc2)CCN(c2cnccn2)CC1 1888903984 ZVPCXQZPWGCBNN-UHFFFAOYSA-N 264.332 2.538 30 40 CFEB N#Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 32912595 XJQFZHUTBRXYPZ-OAHLLOKOSA-N 299.305 2.552 30 40 CFEB CCc1ccccc1NC(=O)[C@@H](C#N)Cc1cccnc1 419690 YICFJGNYIQOYJB-OAHLLOKOSA-N 279.343 2.965 30 40 CFEB O=[N+]([O-])c1ccc(/N=C(\O)C(F)(F)F)c([N+](=O)[O-])c1 4852297 VRYUACVHVSQAPY-UHFFFAOYSA-N 279.130 2.653 30 40 CFEB biogenic Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)CCC#N 7814445 ORQCHZVIEGPXGN-UHFFFAOYSA-N 294.420 2.827 30 40 CFEB N#Cc1cccnc1NCc1cn2cc(Cl)ccc2n1 42677873 TWXYOATUNIBJAY-UHFFFAOYSA-N 283.722 2.866 30 40 CFEB CCC(=O)/C(=C\c1ccccc1)C(=O)[C@H](C)CN(C)C 8655434 VTXHZGOQYNVMSB-WDGDVPDHSA-N 273.376 2.816 30 40 CFEB CC(C)(O)C#C[C@](C)(O)c1ccc2ccccc2c1 3159146 PKMKWLQRRFXCAG-KRWDZBQOSA-N 254.329 2.822 30 40 CFEB Cc1oc(/N=C/c2ccc(O)cc2O)c(C#N)c1C 100174858 GLNBXMSBVDXZQR-FRKPEAEDSA-N 256.261 2.930 30 40 CFEB O=C(O)[C@@H](Cc1ccccc1)/N=C\c1ccc(O)cc1 104187007 AVABFWMEVHDXDS-QJISPJEISA-N 269.300 2.507 30 40 CFEB COc1ccc(CN(C)c2ccc(C#N)cn2)cc1F 36393859 KHBCPTAVAMEXEC-UHFFFAOYSA-N 271.295 2.737 30 40 CFEB C=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 63919528 BSHHMJZTHWYRCH-HOTGVXAUSA-N 281.359 2.743 30 40 CFEB N#C[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 4278715 GBAJCPCDZBGOEA-UWVGGRQHSA-N 274.370 2.814 30 40 CFEB CNc1ccccc(C(=O)/C=C/c2cccc(C#N)c2)c1=O 4667337 LCBXOYHOKLKPGP-MDZDMXLPSA-N 290.322 2.856 30 40 CFEB N#Cc1ccc(CN2CCN(c3ccccc3O)CC2)cc1 19797720 RTAREPXJBXUWFM-UHFFFAOYSA-N 293.370 2.586 30 40 CFEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC=CCC1 69000282 XNQXMYATTDZHLO-SNVBAGLBSA-N 258.281 2.630 30 40 CFEB N#C[C@]1([C@H](O)Cc2ccccc2)CCc2ccccc21 91884669 NTVXNNDJWLEYFI-QZTJIDSGSA-N 263.340 2.998 30 40 CFEB C=C(Br)CN(Cc1ccncc1)C1CC1 95977240 NXIDCKFCXUNIER-UHFFFAOYSA-N 267.170 2.955 30 40 CFEB CC[C@@H]1Cc2ccccc2CN1c1ccc(C#N)c(N)n1 516315549 NRDSWJQGUFVUAQ-OAHLLOKOSA-N 278.359 2.877 30 40 CFEB COc1ccc(/C=N/Nc2nccs2)cc1[N+](=O)[O-] 33377341 FEZDISHYXORPBM-NTUHNPAUSA-N 278.293 2.506 30 40 CFEB CCCN(CC(=O)O)c1ccc(C#N)c(Cl)c1 61845298 NASPKEIGBYXBNF-UHFFFAOYSA-N 252.701 2.513 30 40 CFEB C[C@@H](CNc1ccc(F)cc1C#N)Cn1cccn1 91453005 XJDKGAOETRERNX-NSHDSACASA-N 258.300 2.642 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCOC1 96449588 QHIJUPDSRQDBBE-ZDUSSCGKSA-N 287.363 2.745 30 40 CFEB C/N=C(/NCc1cnc(C)s1)NC1CCC(C)CC1 72283482 XWSQIDLXUUZOFG-UHFFFAOYSA-N 280.441 2.695 30 40 CFEB COc1ccc(-n2c(N)c(C#N)sc2=S)cc1 5880224 CREHTGONPROFQQ-UHFFFAOYSA-N 263.347 2.731 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2ccc(C(=O)O)cc2)cc1 5742782 PCSJYVYSYNZDKR-LICLKQGHSA-N 298.298 2.617 30 40 CFEB N#Cc1ccc(COc2ccc(CC(=O)O)cc2)c(F)c1 13421682 IVBNNDFDXLOYBB-UHFFFAOYSA-N 285.274 2.903 30 40 CFEB N#Cc1ccc(N2CCN(c3ccccc3Cl)CC2)nc1 20362281 TWJRXKIIRAPMDB-UHFFFAOYSA-N 298.777 2.933 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1c(C)cc(C)cc1C 304543 ZVCXJORMAHRVDB-UHFFFAOYSA-N 279.405 2.975 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 33147127 OMVUTWRIYRLAAZ-MRXNPFEDSA-N 291.310 2.690 30 40 CFEB O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H]1C[C@H]3O[C@@H]3[C@H]21)c1ccccc1 104068179 DDGVTCZIJXAZOT-JUSDVALNSA-N 270.328 2.655 30 40 CFEB CCOc1cc(/C=N\c2ccc3[nH]c(=O)[nH]c3c2)ccc1O 105513182 KYVAKJDLLNNYMU-MFOYZWKCSA-N 297.314 2.711 30 40 CFEB CC(C)c1nc([N+](=O)[O-])cn1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 100965591 WFGDGXNGTKCSLH-CMMBEPDFSA-N 278.312 2.716 30 40 CFEB Cc1ccc(/C=C/C(=O)[C@H](C#N)c2ccccn2)o1 48540335 CJECDDUKNAPVJG-SBDDDAINSA-N 252.273 2.873 30 40 CFEB C/C(=N\NC(N)=S)c1ccc(Cl)cc1Cl 6312534 FQZPMAXRKAIJTI-WLRTZDKTSA-N 262.165 2.551 30 40 CFEB CC(C)(C)c1csc([C@@H]2CN(CCC#N)CCO2)n1 65513217 PIKYZOFCNNVPCI-NSHDSACASA-N 279.409 2.728 30 40 CFEB CCN(CC)c1ccc2cc(/C(C)=N/O)c(=O)oc2c1 5322096 SIYIBERFBCXCDF-MHWRWJLKSA-N 274.320 2.837 30 40 CFEB C=C(C)CN(CC)C(=O)c1ccc(Cn2cccn2)o1 65611515 ILHZZCFPNFRLME-UHFFFAOYSA-N 273.336 2.563 30 40 CFEB CC(=O)Nc1cccc(/C(C)=N/Nc2ccccn2)c1 5692721 IVGDXLVQPFGHQH-WOJGMQOQSA-N 268.320 2.876 30 40 CFEB C=CCn1cc(C(=O)Nc2cn[nH]c2)c2ccccc21 69485514 DGLPRJJSPFSPED-UHFFFAOYSA-N 266.304 2.803 30 40 CFEB CC(C)OCC[C@](C)(C#N)NC(=O)c1cc(Cl)ccn1 84621877 MQEPHUFZSDDGKO-CQSZACIVSA-N 295.770 2.562 30 40 CFEB Cc1csc(=O)n1CCSc1cccc(C#N)c1 89702603 XTAQLUOUSYOAGX-UHFFFAOYSA-N 276.386 2.882 30 40 CFEB C=CCn1c(=O)n(-c2ccccc2)c(=O)c2cc(C)sc21 32089940 XSXHXEKZZDDJRV-UHFFFAOYSA-N 298.367 2.708 30 40 CFEB C=CCc1cccc(/C=C2/SC(=S)N(C)C2=O)c1O 98086306 STMXROBQTSQIFC-DHZHZOJOSA-N 291.397 2.952 30 40 CFEB CC1(C)[C@H]2C[C@H]3OB([C@@H](N)Cc4ccccc4)O[C@@]3(C)[C@@H]1C2 585672589 VBPSRSJQIVBEOE-JLOCXQCDSA-N 299.223 2.824 30 40 CFEB CCOC(=O)c1cccc(NCc2ccc(C#N)o2)c1 97234066 VAAOCTZEMYWQSG-UHFFFAOYSA-N 270.288 2.940 30 40 CFEB COc1ccc(/C=N/n2c(S)nnc2C(C)C)cc1 5548623 WHYOSFSYNYCXDH-RIYZIHGNSA-N 276.365 2.581 30 40 CFEB CCC(=O)/C=C\c1cc(OC)c(OC)c(OC)c1 17104720 KPZRYSQFCAZZHZ-SREVYHEPSA-N 250.294 2.705 30 40 CFEB CN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CCCC2=O 351227 YVQJCSQMSHUTNU-CQSZACIVSA-N 274.295 2.529 30 40 CFEB C=C[C@@]12c3c4cc(OC)cc3O[C@@H]1[C@@H](O)CC[C@@H]2CC4 4972534 TUGLWPQTLHFOHH-XYZKALLWSA-N 272.344 2.597 30 40 CFEB C[C@H](C#N)CN(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 48274663 XITDCXIGAKIJTQ-MYSGNRETSA-N 294.358 2.504 30 40 CFEB O=C(Nc1ccc(OC[C@H]2CO2)cc1)NC1CCCCC1 65739540 OWUOHIMJYZRAGE-HNNXBMFYSA-N 290.363 2.918 30 40 CFEB in-vitro COc1ccccc1CN(C)c1ncccc1C#N 12809919 BMKGUIUXCKRHPW-UHFFFAOYSA-N 253.305 2.598 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCO2 6345701 LTXFNSHURXROKB-UHFFFAOYSA-N 297.270 2.807 30 40 CFEB O=C(/C=C/n1c(=O)oc2ccccc21)c1ccccc1 4480027 OZFOOVRZDIWCFO-ZHACJKMWSA-N 265.268 2.948 30 40 CFEB N#CCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 97371273 NULGCRZCYBOCSU-UHFFFAOYSA-N 266.276 2.756 30 40 CFEB N#Cc1cc(F)ccc1Cn1cnc(C2CCC2)cc1=O 89705259 XRLXYZQGKAZNTC-UHFFFAOYSA-N 283.306 2.570 30 40 CFEB C=CCO[C@@H]1C[C@@H]2CN(Cc3ccc(C)s3)CCN2C1 96054976 YYIHLJGEJILJHH-HUUCEWRRSA-N 292.448 2.518 30 40 CFEB COC(=O)CCCCC(=O)c1ccc(F)c(C#N)c1 575361936 RVBXEPFVBFWKSO-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB Cc1nnc(SCCOc2ccc(C#N)cc2)s1 37485671 QTLNUDFNWMGDOS-UHFFFAOYSA-N 277.374 2.889 30 40 CFEB C#Cc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1 30602565 LCMSWVXJDGPBCY-UHFFFAOYSA-N 277.283 2.903 30 40 CFEB N#Cc1cc(-c2[nH]c(C=O)nc2Br)ccc1F 1857794805 KQLAWMAQFGDBLS-UHFFFAOYSA-N 294.083 2.662 30 40 CFEB N#Cc1cc(CN2CCCC[C@@H]2c2ncn[nH]2)ccc1F 97055793 JSQPXFJJQDPKGZ-CQSZACIVSA-N 285.326 2.543 30 40 CFEB C[C@H]1OC2=C(C(=O)[C@@H]1C)[C@H](c1ccc(Cl)cc1)OC2=O 4769457 WUMICVVEOSLLNB-RBDZCENOSA-N 292.718 2.816 30 40 CFEB O=C(/C=C1\NC(c2ccccc2)=NO1)c1ccccc1 100921444 ZSBWBBKDXWLMET-RVDMUPIBSA-N 264.284 2.692 30 40 CFEB Cc1nnc(S[C@@H](C)C#N)n1Cc1ccccc1 3411434 ZYPSIDPTGUESMT-JTQLQIEISA-N 258.350 2.639 30 40 CFEB CCc1ccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)cc1 3527492 YWXFAOWRRFJMJK-LDADJPATSA-N 299.374 2.838 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1ccc(-c2cnco2)cc1 49424645 OBKFPFVMXTUCMW-LLVKDONJSA-N 269.304 2.573 30 40 CFEB N#Cc1ccc(SCc2nnnn2-c2ccccc2)cc1 65576107 HQQCGIFRLCHKCS-UHFFFAOYSA-N 293.355 2.826 30 40 CFEB N#Cc1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c(F)c1 65532977 FVNKKRHEHLJBCU-CYBMUJFWSA-N 297.337 2.568 30 40 CFEB N#CC(/C(O)=N/c1ccc(-c2ccccc2)cc1)=[N+](/[O-])O 66066217 XPFHTAUFHUKRJE-UHFFFAOYSA-N 281.271 2.806 30 40 CFEB CCOc1cc(C#N)ccc1OCc1cscn1 42224401 TXQGQXKIKSPNQR-UHFFFAOYSA-N 260.318 2.992 30 40 CFEB CCOc1cc(C(=O)N(CC#N)Cc2ccccc2)ccn1 96409846 FWIZSRQQWJTTCI-UHFFFAOYSA-N 295.342 2.646 30 40 CFEB Cc1sc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(C#N)c1C 18084181 YNJUGKHCEOIJOA-LFSVMHDDSA-N 298.367 2.548 30 40 CFEB C=CCNc1ccc(-c2noc(C)n2)cc1[N+](=O)[O-] 9669037 SCSZEJWJJNFIJS-UHFFFAOYSA-N 260.253 2.551 30 40 CFEB COC[C@H](C)NC(=O)Nc1cc(C#N)ccc1OC(C)C 72019936 WZDPDTKJSFXMDG-NSHDSACASA-N 291.351 2.502 30 40 CFEB CCN(C[C@H](C)C#N)c1ncnc2cc(F)c(F)cc12 95411578 IAKDSOSSYKPJOD-SECBINFHSA-N 276.290 2.894 30 40 CFEB CCn1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cn1 75093811 CFSGGLKZOSKKCC-NSHDSACASA-N 269.304 2.693 30 40 CFEB COc1ccccc1/C=N\Nc1nc(C)cc(C)n1 33330112 GKDHRFWCXSIDAH-DHDCSXOGSA-N 256.309 2.548 30 40 CFEB CCOC(=O)[C@H](C#N)c1cccc(C(F)(F)F)c1 34607370 AUUMEFXEQLSWBU-SNVBAGLBSA-N 257.211 2.876 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1ccc(C)cc1 225880836 HAGYMXLNRUFPLY-UHFFFAOYSA-N 271.320 2.689 30 40 CFEB Cc1ccc(Cc2nn(CC(C)C)c(N)c2C#N)cc1 225834416 YYPZCXABEPCLDL-UHFFFAOYSA-N 268.364 2.892 30 40 CFEB C=C(C)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 195571184 LAURMXIOTLCMPI-UHFFFAOYSA-N 291.742 2.618 30 40 CFEB CSc1cc(-c2ccc(O)cc2)oc(=O)c1C#N 96319410 JEIMHXLCMSNPNG-UHFFFAOYSA-N 259.286 2.606 30 40 CFEB CC(C)CNC(=O)CSc1ccc(C#N)cc1F 96422164 RRAHOPUHYVKXBF-UHFFFAOYSA-N 266.341 2.562 30 40 CFEB CC(=NN1CCN(c2ccccn2)CC1)c1cccs1 254695909 BFWWVANOQYZBMH-UHFFFAOYSA-N 286.404 2.689 30 40 CFEB Cc1ccc(CNC(=O)c2ccc(C#N)cc2)s1 48073964 HOJNRMRGEDRIFP-UHFFFAOYSA-N 256.330 2.858 30 40 CFEB COc1ccc(C(=O)/C=C\[n+]2cccc(Cl)c2)cc1 33374002 UVJSBQSCKKCJEL-NTMALXAHSA-N 274.727 2.990 30 40 CFEB COC(=O)N1c2ccccc2C(c2ccccc2)=N[C@@H]1C#N 5766551 YVFGWYPBUXMBGU-HNNXBMFYSA-N 291.310 2.960 30 40 CFEB CC1=NN/C(=N\OC(=O)Nc2ccccc2)C(C)(C)C1 26330908 AAEBAQXSQNELDY-UHFFFAOYSA-N 274.324 2.944 30 40 CFEB C=CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 1565550116 PYCQLVFJKCGLIP-QSJFSLAZSA-N 275.392 2.925 30 40 CFEB CCCCc1nc(NCCCO)c(C#N)c2c1CCCC2 20590060 ZSABCLAVZKZJQX-UHFFFAOYSA-N 287.407 2.969 30 40 CFEB N#Cc1cccc(OCC(=O)c2ccc3c(c2)OCO3)c1 6401151 UCJPCIDJCXQWHH-UHFFFAOYSA-N 281.267 2.549 30 40 CFEB CCO[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 60372333 FKXZWKBHTZFBQX-NSHDSACASA-N 265.744 2.612 30 40 CFEB C#CCN(Cc1ccco1)C(=O)c1ccc(Cl)nc1 62898672 JEFXVFMXDBTAQM-UHFFFAOYSA-N 274.707 2.604 30 40 CFEB Fc1ccc(/C=N/NC(=S)Nc2cccnc2)cc1 13636188 HQOQIUZLQCWHRZ-LZYBPNLTSA-N 274.324 2.541 30 40 CFEB C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1 65592167 QGCOGNPVRMICQO-UHFFFAOYSA-N 297.333 2.566 30 40 CFEB C[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 36391941 RSZJGHXIHDPQII-CYBMUJFWSA-N 256.349 2.892 30 40 CFEB CC/C=C\C(=O)CC(O)(C(F)(F)F)C(F)(F)F 31853798 KAEJKTQUZNOPEC-ARJAWSKDSA-N 264.165 2.768 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@@H](S)C1 73652742 AYDDDTVMTGGEFW-GFCCVEGCSA-N 251.351 2.717 30 40 CFEB CCc1onc(C)c1N=C(O)N1CCC(C)(COC)CC1 330660180 UQWGNJGRTNNUPW-UHFFFAOYSA-N 295.383 2.839 30 40 CFEB Cc1nsc(NC(=O)CCC(F)(F)F)c1C#N 298694091 QLWKRMPNGKQYQV-UHFFFAOYSA-N 263.244 2.604 30 40 CFEB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 353436751 QIFFPXSYMRNSRA-INIZCTEOSA-N 299.418 2.685 30 40 CFEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 2932647 QIESSCZYAMITEQ-RUHSUEAGSA-N 294.354 2.526 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c(C)c1 103717634 BJMLZZQUGCYTMJ-AWEZNQCLSA-N 293.326 2.660 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C/c2ccc(Cl)c(Cl)c2)n1 8619250 HHSKQLLJGGYGMS-GIDUJCDVSA-N 297.145 2.831 30 40 CFEB C=CCNC(=O)Cc1c(C)nc2ccccc2c1C 12585256 AXZGYGALXGIMHK-UHFFFAOYSA-N 254.333 2.696 30 40 CFEB COc1ccc(CN/N=C/c2cccs2)cc1OC 20196110 GQHIGPBSODDNQH-MHWRWJLKSA-N 276.361 2.889 30 40 CFEB COc1ccc(-c2nc(C#N)c(N(C)CCC#N)o2)cc1 3293011 HVWVEQSGGVMVDI-UHFFFAOYSA-N 282.303 2.572 30 40 CFEB Br/C(=C\C=N\n1cnnc1)c1ccccc1 6227316 AIMGJHFDPDDTKI-UGXGCEEVSA-N 277.125 2.548 30 40 CFEB CN(Cc1cccs1)C(=O)COc1cccc(C#N)c1 6401779 JSRUPVIOGWYEIJ-UHFFFAOYSA-N 286.356 2.657 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2)cc1 4616626 YLJOVQDNCKOFIN-NTEUORMPSA-N 257.249 2.746 30 40 CFEB COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1O 7739423 OYZVNVZOJMAYHM-AATRIKPKSA-N 285.299 2.701 30 40 CFEB CN(Cc1ccc(F)cc1Cl)c1nccnc1C#N 69739406 BMSSDDFOJAEFGY-UHFFFAOYSA-N 276.702 2.777 30 40 CFEB C=CCNC(=O)[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 97141075 YRLBHJGOFOZELK-WDEREUQCSA-N 281.425 2.608 30 40 CFEB C=CCCS(=O)(=O)Nc1cc(-c2sccc2C)n[nH]1 95428141 SFPIOOHXPTYWGA-UHFFFAOYSA-N 297.405 2.764 30 40 CFEB C=C[C@H](C)NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C 95944628 XACRKPITOOGBPA-WDEREUQCSA-N 278.400 2.881 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1ccc(OC(C)C)cc1 41223822 SHTCJDLRPPMHJD-RIYZIHGNSA-N 276.365 2.919 30 40 CFEB C[C@@H](c1ccccc1)[C@@H](C=O)NC(=O)OC(C)(C)C 199828757 PHAYUDMPNKQKSL-WCQYABFASA-N 263.337 2.882 30 40 CFEB Cc1cc(F)cc(C)c1B1OC(C)(C)C(C)(C)O1 235737433 NYCCGTUGVZBFTF-UHFFFAOYSA-N 250.122 2.742 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 96450048 GKCBHCBNTWLCGZ-WDEREUQCSA-N 268.272 2.599 30 40 CFEB COC(=O)c1csc(NC(=O)c2cccc(C#N)c2)c1 96473042 KJNPUUVERPMOIP-UHFFFAOYSA-N 286.312 2.659 30 40 CFEB CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 78984466 XJBAVNZYGKWZSM-UHFFFAOYSA-N 287.363 2.567 30 40 CFEB C=C(C)CN(CC)C(=O)N[C@H]1COc2ccccc21 60586335 WPPCWPGHAWAIIZ-ZDUSSCGKSA-N 260.337 2.728 30 40 CFEB Cc1nc(/C=C/C(=O)[C@H](C#N)C(=O)OC(C)(C)C)cs1 101669143 GBBYRPFYMTXCBM-QRGHLMKCSA-N 292.360 2.515 30 40 CFEB CCCC/C(=N/NC(N)=S)c1ccc(F)cc1 17003347 VFOQQBXZTJLGQX-PTNGSMBKSA-N 253.346 2.553 30 40 CFEB N#Cc1cccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)c1 79634755 YMBGKHQSRCCRPE-INIZCTEOSA-N 298.390 2.650 30 40 CFEB CN(CCCC#N)Cc1cnn(-c2ccccc2)c1 53138675 FEXUBSJIRPHFPU-UHFFFAOYSA-N 254.337 2.608 30 40 CFEB C[C@@H]1CCCCN1CCCOc1cc(N)ccc1C#N 4522450 XNWLLFHGLHRWMQ-CYBMUJFWSA-N 273.380 2.784 30 40 CFEB C[C@@H](ON=C1c2ccccc2-c2ccccc21)C(=O)O 6442662 LNBFXOGDVXIFMX-SNVBAGLBSA-N 267.284 2.909 30 40 CFEB CCn1ncc2c1CCC[C@@H]2NCc1cc(C#N)n(C)c1C 72298457 CSXZLEMXTGFZNG-INIZCTEOSA-N 297.406 2.589 30 40 CFEB O=C(O)/C(=C/C(=O)c1ccccc1)Nc1ccccc1 100316634 YHFPFWGKTZTMBI-KAMYIIQDSA-N 267.284 2.950 30 40 CFEB CNC(=S)N1CCS/C1=N\c1ccccc1C 6559102 WYJLLWZSCZAOGS-OWBHPGMISA-N 265.407 2.536 30 40 CFEB C[C@H](CC1CCOCC1)NCc1cc(C#N)ccc1F 90117450 PPRAZEAMOLUTDX-GFCCVEGCSA-N 276.355 2.992 30 40 CFEB COc1ccc(CNC(=O)c2cccc(C#N)c2)cc1OC 7264932 SUJDLPVJAZIRMT-UHFFFAOYSA-N 296.326 2.505 30 40 CFEB N#Cc1c2c(c(=S)n(Cc3cccnc3)c1N)CCCC2 9306406 NRNXRMXCCMCLSG-UHFFFAOYSA-N 296.399 2.994 30 40 CFEB C=CCn1c(S[C@H](C)C#N)nnc1-c1cccnc1 8472009 UFAIKLDXDLNRDH-SNVBAGLBSA-N 271.349 2.530 30 40 CFEB C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccc(C#N)cc1 126045252 OUNCFIVRQVMZTA-SUMWQHHRSA-N 297.402 2.610 30 40 CFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC=CCC1 48541043 MQVFEXANMGFTIA-OCCSQVGLSA-N 274.364 2.500 30 40 CFEB N#Cc1ccc(N2CC[C@H](Sc3ccncc3)C2=O)cc1 98020640 ZRAIBUQMKAZOBP-HNNXBMFYSA-N 295.367 2.851 30 40 CFEB C=C[C@@H]1C(=O)N(C)[C@H](C(C)(C)C)N1C(=O)c1ccccc1 5767439 QJCXEWZNLZBCNT-CJNGLKHVSA-N 286.375 2.528 30 40 CFEB CCn1ccc(/C=C2/CC/C(=C\c3ccn(CC)n3)C2=O)n1 2787110 ULVOAZVPFHNGDW-HEEUSZRZSA-N 296.374 2.949 30 40 CFEB CC(=O)N1CCC(=NNc2nc3ccccc3s2)CC1 5495313 SHNWQKMOKLZLTN-UHFFFAOYSA-N 288.376 2.707 30 40 CFEB N#Cc1cc2c(nc1N1CCC(F)(F)CC1)CCC2 404769833 IWOIVSSVBYCBSV-UHFFFAOYSA-N 263.291 2.677 30 40 CFEB C=CCO[C@@H]1C[C@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 1565550115 PYCQLVFJKCGLIP-KLZNWCGWSA-N 275.392 2.925 30 40 CFEB O=C1CCCC2=C1[C@H]([C@H]1CC=CCC1)Nc1nonc1N2 12389401 XHKCYSLHXHASQQ-ZANVPECISA-N 286.335 2.639 30 40 CFEB O=C(NCC#Cc1ccccc1)C1(c2ccccc2)CC1 84517709 ZKQBAQBXUOILQF-UHFFFAOYSA-N 275.351 2.886 30 40 CFEB N#Cc1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1 2514608 XEVRBJGDSHDLSM-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB C=CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 408841025 HDYLGRPGGDCULK-XFXZXTDPSA-N 275.329 2.918 30 40 CFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCc2ccccc21 3538088 QXRHVYIQGMJSGE-CYBMUJFWSA-N 291.354 2.948 30 40 CFEB C[C@H]1OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 4114199 YGHSAYIGIPJDAX-MRVPVSSYSA-N 254.326 2.821 30 40 CFEB N#Cc1ccccc1COC(=O)COc1ccccc1C#N 6528694 KYGYJHYFQYFACJ-UHFFFAOYSA-N 292.294 2.552 30 40 CFEB N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 7405119 GLEOHAVDSNUYCC-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CCc1noc(C)c1C(=O)Nc1ccc(OCC#N)cc1 8341595 FEISEQUOZVLNTH-UHFFFAOYSA-N 285.303 2.700 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)nc1 74729834 NDZYKSPCHRLSJZ-HNNXBMFYSA-N 295.367 2.922 30 40 CFEB CC[C@H](C)n1nc(Cc2ccccc2)c(C#N)c1N 225832957 FGEHSJWJADHVEB-NSHDSACASA-N 254.337 2.899 30 40 CFEB COC(=O)[C@H]1O[C@@]1(C)c1cc(Cl)ccc1Cl 85657588 ZLDORLGIWWYZLR-KOLCDFICSA-N 261.104 2.780 30 40 CFEB C=CCN1[C@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@@H]21 95951341 PJOOVLOVRCHYDU-JYJNAYRXSA-N 270.376 2.657 30 40 CFEB CC(=O)NCCCNc1cc(C#N)ccc1C(F)(F)F 97096859 KXBRXVVBRHFAES-UHFFFAOYSA-N 285.269 2.515 30 40 CFEB COc1cc(C#CC2(O)CCCCC2)cc(OC)c1 95631966 KWQIHYGOSSGVEB-UHFFFAOYSA-N 260.333 2.751 30 40 CFEB C#CCNC(=O)[C@@H](C)S[C@H](C)c1ccc(F)cc1 49462445 RDMUIZCEROOISD-GHMZBOCLSA-N 265.353 2.758 30 40 CFEB N#Cc1nc2c(C#N)c3ccc4ccccc4n3c2nc1C#N 118745 JQZMZOKSVQRFJL-UHFFFAOYSA-N 294.277 2.651 30 40 CFEB C/C(=N\S(=O)(=O)c1ccc(C)c(C)c1)OC(C)C 18087772 OXPUNLMPUQFWHI-WYMLVPIESA-N 269.366 2.836 30 40 CFEB Cc1ccc(C(=O)/C=C/[n+]2cc(Cl)ccc2N)cc1 5698557 KYNBBNPUZPYWPS-CMDGGOBGSA-O 273.743 2.872 30 40 CFEB O=C1C=C/C(=N/N=C(c2ccccc2)c2ccccc2)O1 16958387 QYPGCGPUCBQSKZ-SDXDJHTJSA-N 276.295 2.951 30 40 CFEB N#Cc1cccc(NC(=O)Cc2cccc(F)c2)c1 7265387 WVWURSNVJAARGZ-UHFFFAOYSA-N 254.264 2.879 30 40 CFEB C=CCOc1ccc(CNC[C@H]2CCCOC2)cc1 38044429 KUIHVQYTUVWPHJ-OAHLLOKOSA-N 261.365 2.768 30 40 CFEB C[C@@H]1CCc2c(sc(N3CCCC3=O)c2C#N)C1 143015 KWZIUPIGQMMDKM-SECBINFHSA-N 260.362 2.871 30 40 CFEB C[C@H](C[C@H](C#CCN(C)C)N(C)C)CC(C)(C)C 1593748 HEZYTKNQCGFASS-CABCVRRESA-N 252.446 2.944 30 40 CFEB N#CCSc1nnc(C2CC2)n1Cc1ccccc1 4985515 WJBQNWCIUSBIDO-UHFFFAOYSA-N 270.361 2.819 30 40 CFEB C=CCc1ccc(OC[C@@H]2CCCNC2)c(OC)c1 42775554 DXKQIUGGXZLPEC-CQSZACIVSA-N 261.365 2.802 30 40 CFEB N#Cc1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1 58263960 BKZLKNGYMSFZRF-KRWDZBQOSA-N 291.354 2.885 30 40 CFEB C/N=c1\scc(-c2ccco2)n1/N=C/c1ccccc1O 12657132 RUXTXJGIVHVUQI-BULSJCKZSA-N 299.355 2.928 30 40 CFEB CC(C)c1ccc(OCC(=O)NC2(C#N)CCC2)cc1 60193604 HQESEADWWPHPMH-UHFFFAOYSA-N 272.348 2.751 30 40 CFEB Cc1cc([C@@H](C#N)C(=O)C[C@H](C)C2CC2)nc(C)n1 68336379 CEGHOXJNTBRIQM-TVQRCGJNSA-N 257.337 2.706 30 40 CFEB CC(C)(C)C/C(O)=N/S(=O)(=O)Cc1ccccc1 48519361 XNJFODAPEGKKMX-UHFFFAOYSA-N 269.366 2.909 30 40 CFEB N#C[C@@H](C(=O)Nc1ccncc1)c1nc2ccccc2s1 58331266 GBYGKFVYALZNLA-NSHDSACASA-N 294.339 2.937 30 40 CFEB COCc1c(N)c(C)nc(NCc2ccccc2)c1C#N 12372111 QGQRNBCIIMBJCD-UHFFFAOYSA-N 282.347 2.602 30 40 CFEB C[C@@H](/C(=N/O)c1ccccc1)N1C(=O)c2ccccc2C1=O 17141889 OQRWHCYNZKHNHQ-KLIGIEKFSA-N 294.310 2.550 30 40 CFEB O=C1CS/C(=N\c2ccccc2)N1Cc1cccnc1 18246648 JBCJTKOQZCXADM-ICFOKQHNSA-N 283.356 2.845 30 40 CFEB C=CCOc1ccccc1CN1C[C@@H]2CCCN2C[C@@H]1C 19575796 YWQQDDFQJRVCQO-RDJZCZTQSA-N 286.419 2.920 30 40 CFEB CN(Cc1cccs1)C(=O)COc1ccccc1C#N 3388817 UPBGHFBBBVPSID-UHFFFAOYSA-N 286.356 2.657 30 40 CFEB C=CCNC(=S)N1CC[C@]2(C)c3ccccc3N[C@]12C 4623362 ZUGLQHQFKRZDST-HZPDHXFCSA-N 287.432 2.852 30 40 CFEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 40135212 NCTWXWOQBPZCMU-HNNXBMFYSA-N 297.358 2.562 30 40 CFEB Cc1ccc(OCCNc2ccc(C#N)cn2)cc1 30621257 TZRCBKDPNBWYSP-UHFFFAOYSA-N 253.305 2.753 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 21796661 ZPTTTWPVLXVUMS-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB NC(=S)N/N=C1/CCSc2ccc3ccccc3c21 100568367 OIQDTDZIZWPLBP-WJDWOHSUSA-N 287.413 2.873 30 40 CFEB C=CCNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C 3189945 QXSXPKKWLSHIDQ-UHFFFAOYSA-N 294.310 2.565 30 40 CFEB N#Cc1ccc(F)c(Cn2cccc(C(F)(F)F)c2=O)c1 27064898 ANKJKYAUDZGHTP-UHFFFAOYSA-N 296.223 2.926 30 40 CFEB N#CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 58331239 OFZNQRRNBROAPL-UHFFFAOYSA-N 286.228 2.973 30 40 CFEB N#Cc1ccc(CCC(=O)NCc2ccccc2F)cc1 10754319 AERXSGHIAUQCKP-UHFFFAOYSA-N 282.318 2.946 30 40 CFEB N#CCC(=O)Nc1nnc(SCc2ccccc2)s1 16742025 RMHCRFZVGQBJEF-UHFFFAOYSA-N 290.373 2.683 30 40 CFEB CSc1cc(C(=O)[C@H](C#N)c2ccc(F)cn2)ccn1 97049057 ZEEABFSHJUITSD-LLVKDONJSA-N 287.319 2.828 30 40 CFEB Cn1cc(C#N)cc1C(=O)Nc1ccc(Cl)cc1O 96484150 UZFFNIFTTVOVOT-UHFFFAOYSA-N 275.695 2.508 30 40 CFEB N#Cc1c(F)cccc1N1CCC[C@H]1Cn1cccn1 69626896 ADUKOBOCFFJEPP-LBPRGKRZSA-N 270.311 2.563 30 40 CFEB SCCSC[C@H](CS)SCCS 113178586 CEUQYYYUSUCFKP-ZETCQYMHSA-N 260.540 2.611 30 40 CFEB CC(=O)c1cccc(NC(=O)C2(C#N)CCCC2)c1 9683303 RDFNPFDQZJHVIN-UHFFFAOYSA-N 256.305 2.912 30 40 CFEB C[C@H](CN(C)C)C(=O)/C=C/c1ccc(F)c(F)c1 1611368 KCCPYEKUXVMZAM-BREXMAIKSA-N 253.292 2.745 30 40 CFEB Cc1nc(CC(=O)Nc2cccc(C#N)c2)cs1 7996376 IACLZUWLNACAOE-UHFFFAOYSA-N 257.318 2.504 30 40 CFEB C[C@@H](OCCCNC(=O)C(C)(C)C#N)c1ccccc1 40543057 IRFGVXRWNMOERQ-CYBMUJFWSA-N 274.364 2.820 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1cccs1 20834465 VKAFEQJFRCYURW-VBTYFWCOSA-N 280.393 2.794 30 40 CFEB CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)C 1857793014 KSZOTXZFYCRWQK-UHFFFAOYSA-N 277.276 2.519 30 40 CFEB COc1c(C)ccc(NC(=O)CSCC#N)c1C 33172711 AYQRFZDOTJTLCV-UHFFFAOYSA-N 264.350 2.507 30 40 CFEB C#Cc1cccc(NC(=O)NCC(C)(C)SC)c1 78936621 XFWVPFSPHIFFCT-UHFFFAOYSA-N 262.378 2.931 30 40 CFEB Cc1ccccc1NC(=O)COc1cccc(/C=N\O)c1 8571369 PEONKKNNOFXORW-YVLHZVERSA-N 284.315 2.821 30 40 CFEB N#Cc1ccc(NCCCOC[C@H]2CCOC2)c(F)c1 72293805 XRSABRHZNKSVDM-CYBMUJFWSA-N 278.327 2.552 30 40 CFEB Fc1ccc2c(c1)/C(=N/Nc1ncccn1)CCS2 44666353 QFOGANWEYXCTQU-GZTJUZNOSA-N 274.324 2.928 30 40 CFEB CSC(=N\N=C/c1ccc(Cl)cc1)/N=C/N(C)C 104244954 DKZXYLJDVYNGHD-IAPXISDCSA-N 282.800 2.983 30 40 CFEB N#CCSCC(=O)Nc1ccc(Cl)c(F)c1 48506280 OZQKRYNFEMPFOZ-UHFFFAOYSA-N 258.705 2.674 30 40 CFEB O=C(/C=C/c1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1 12924893 XEEFTWVYPZYCPD-SOFGYWHQSA-N 282.274 2.891 30 40 CFEB C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1ccccn1 5944311 LZFYMOFNNOUKAT-XNTDXEJSSA-N 256.265 2.826 30 40 CFEB N#Cc1ccc(F)c(CN2CCC(c3cn[nH]c3)CC2)c1 97202724 SWRMDYYMCQNDEX-UHFFFAOYSA-N 284.338 2.800 30 40 CFEB CNC(=O)c1ccc(/C=C2/Cc3ccccc3C2=O)cc1 98054516 XRUBKPQQXOWWNJ-GDNBJRDFSA-N 277.323 2.869 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)Nc1cnn(C(C)(C)C)c1 95977079 DRVLTADPUNQCMH-NSHDSACASA-N 277.372 2.652 30 40 CFEB S=C(N/N=C\c1ccccc1)NNc1ccccc1 408723527 YDUNZCOHDCRNCD-PTNGSMBKSA-N 270.361 2.512 30 40 CFEB C[C@H](N[C@H](C)c1ccc(Cl)s1)C(=O)N(C)CCC#N 195561296 RHZITJPNGJJSFI-ZJUUUORDSA-N 299.827 2.813 30 40 CFEB Cc1ccc(C)c(N2CCN(c3cnccc3C#N)CC2)c1 91743355 YPELOZUFIRFECK-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB CC(=O)CCOCC(F)(F)C(F)(F)C(F)(F)F 1083807978 MZXVKSYVXJUIFO-UHFFFAOYSA-N 270.144 2.815 30 40 CFEB CC1(C)OB(c2cc(F)c(Cl)cc2F)OC1(C)C 202638333 OJERJYBDUGRDKV-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB CCc1nnc(S)n1/N=C/c1ccccc1Cl 5410285 HZZYCQLCTQVCBY-NTUHNPAUSA-N 266.757 2.665 30 40 CFEB Cc1c(/C=C2/C(=O)N(C)c3ccccc32)cc(C#N)n1C 3252164 ZRGWQEQQRYOZTR-OQLLNIDSSA-N 277.327 2.722 30 40 CFEB N#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 12508068 FHVGTWAOXKHPRB-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB C=C(Cl)COC(=O)c1ccc(NC2CC2)nc1 60582033 YPOUUNJUZZUCJC-UHFFFAOYSA-N 252.701 2.565 30 40 CFEB N#Cc1nc(COc2ccccc2)oc1N1CCCC1 552955 JGCGSVJALVJJER-UHFFFAOYSA-N 269.304 2.725 30 40 CFEB CC(=O)Nc1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc1 4855210 WDHQEKNVYIWECS-MHWRWJLKSA-N 298.302 2.999 30 40 CFEB COc1cc(/C=[N+](\[O-])c2ccccc2)cc(OC)c1O 54240794 LRECVXZDOQOTFG-YBEGLDIGSA-N 273.288 2.670 30 40 CFEB COc1ccccc1NC(=S)N/N=C1/C[C@@H]2C=CC[C@H]12 56668785 RLYWNVFIGLKBCR-PDFAESPNSA-N 287.388 2.934 30 40 CFEB Cc1nc(C)c(C(=O)OCc2ccc(C#N)cc2)s1 6367151 WSLDCAKDPPREEC-UHFFFAOYSA-N 272.329 2.989 30 40 CFEB Cc1ccc(NC(=O)CSc2ncccc2C#N)cc1 7051444 HJYHICFTZOKOPG-UHFFFAOYSA-N 283.356 2.993 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)[C@@H]1Cc2ccccc2O1 69351938 VMEWRYBNEZUWJV-INIZCTEOSA-N 296.326 2.526 30 40 CFEB CNC(=O)c1cccc(CCNc2ccc(C#N)cc2F)c1 72293797 SVWGYBSYFLRAMC-UHFFFAOYSA-N 297.333 2.712 30 40 CFEB N#Cc1cc2ccccc2nc1NCCCO[C@H]1CCOC1 95964995 KHJAZJLCAHBJPI-HNNXBMFYSA-N 297.358 2.714 30 40 CFEB N/C(=N\O)c1sc(-c2ccncc2)nc1-c1ccccc1 98071625 IVOLMCXJYJJKKY-UHFFFAOYSA-N 296.355 2.967 30 40 CFEB Cc1cccc(CC(=O)N(CC#N)C2CCCC2)c1 71914695 DLPAHLAZBYWZFO-UHFFFAOYSA-N 256.349 2.832 30 40 CFEB O=S(=O)(Cc1ccccc1)/N=C(\O)c1ccccc1F 48519347 AZWQQEQIXKVCGJ-UHFFFAOYSA-N 293.319 2.660 30 40 CFEB CCCCCCCOc1ccc(S(N)(=O)=O)cc1C 59212181 TVNOLLHBOKVPLM-UHFFFAOYSA-N 285.409 2.992 30 40 CFEB COc1ccc(NC(=O)C2(C#N)CC2)cc1Cl 156818993 GKSNXEYWUJDJSC-UHFFFAOYSA-N 250.685 2.591 30 40 CFEB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(C#N)cc1 32779431 VIKDYQJXDFQRMK-RYUDHWBXSA-N 272.352 2.858 30 40 CFEB Clc1ccc(/C=N/Nc2ccc(-n3ccnc3)nn2)cc1 3893565 NADSZPWCMNHALU-RQZCQDPDSA-N 298.737 2.762 30 40 CFEB N#CCN1CCC12CCN(CC1CCCCC1)CC2 2055747809 WKPKHEQYKDBIID-UHFFFAOYSA-N 261.413 2.631 30 40 CFEB Cn1nc(C(C)(C)C)c2c1-c1ccccc1/C2=N\O 100943531 XJNPPLWBQMHBKQ-SFQUDFHCSA-N 255.321 2.925 30 40 CFEB COc1ccc(/C=N/c2c(C)n[nH]c2C)cc1[N+](=O)[O-] 2741461 OCSDOMZAQAODDU-VGOFMYFVSA-N 274.280 2.694 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C/c2c(F)cccc2Cl)C1=O 3528076 YPBYPTLVEWICPE-HFVKVNHUSA-N 297.717 2.534 30 40 CFEB Cc1ccnc(NC[C@H]2CCN(c3ncccc3C#N)C2)c1 65446848 BKVCEKUVPOQDMW-CQSZACIVSA-N 293.374 2.595 30 40 CFEB CCOC(=O)[C@H](C#N)[C@H]1C(C)(C)[C@H](C(C)C)C1(C#N)C#N 4599876 ZGZPVZDVNPMSIX-AGIUHOORSA-N 287.363 2.651 30 40 CFEB C/C(=N\c1ccccc1O)c1c(O)cc(C)oc1=O 8575726 BIHMLNAESZOYRG-OQLLNIDSSA-N 259.261 2.500 30 40 CFEB CC(C)[C@H](C#N)NC(=O)[C@@H]1CSc2ccccc21 83774594 PRECBHFHICUMTC-NEPJUHHUSA-N 260.362 2.540 30 40 CFEB CCCOc1ccc(CNc2ccc(C#N)cn2)cn1 69892631 RBWDJMCFCPHNEN-UHFFFAOYSA-N 268.320 2.749 30 40 CFEB CCOc1ccc(/C(C)=N/n2c(C)n[nH]c2=S)cc1 27526211 CFXLUXATRXUEQB-CXUHLZMHSA-N 276.365 2.920 30 40 CFEB C/C(=N\c1cc(C)ccc1O)c1c(O)cc(C)oc1=O 71782814 IASCKOYABHCKGC-MHWRWJLKSA-N 273.288 2.809 30 40 CFEB CO[C@H](/C(O)=N/S(=O)(=O)CC(C)(C)C)c1ccccc1 79037032 ZNCQWPOZOMKEMZ-LBPRGKRZSA-N 299.392 2.707 30 40 CFEB C=CCNC(=S)Nc1ncc(C)cc1Br 223918594 PKYDDJCMIZAIEU-UHFFFAOYSA-N 286.198 2.625 30 40 CFEB N#CCCN(CCC#N)Cn1ccc(-c2ccccc2)n1 95394334 ZODLSCAPDYICDQ-UHFFFAOYSA-N 279.347 2.637 30 40 CFEB Cc1ccn(CC(=O)CCC2CCCC2)c(=O)c1C#N 97094750 GYPJHQGUNWWFEM-UHFFFAOYSA-N 272.348 2.568 30 40 CFEB C=CCN(C(=O)c1cc(OC)ccn1)C1CCCC1 95397763 DIWRSKSTUQTUBR-UHFFFAOYSA-N 260.337 2.661 30 40 CFEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c(F)c1 36390569 XLGGHJZXYURGPF-HNNXBMFYSA-N 277.343 2.601 30 40 CFEB C=CCNS(=O)(=O)c1ccc(Cl)c(C)c1Cl 36638834 KINOAMOAJIJHBJ-UHFFFAOYSA-N 280.176 2.766 30 40 CFEB C=CCCN1CCC[C@@H](COc2cc(C#N)ccn2)C1 1776001198 DPKKWPWIINGOES-OAHLLOKOSA-N 271.364 2.620 30 40 CFEB N#Cc1cccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 107362164 QATPIIDOUNOPFC-CDGCEXEKSA-N 252.317 2.789 30 40 CFEB CN(C)c1ccc(NCc2cccc(C#N)c2)cn1 36988882 GLTZGNGVUYBBEJ-UHFFFAOYSA-N 252.321 2.631 30 40 CFEB C/C1=C/CC[C@]23O[C@@H]2[C@@H](OC3=O)c2c(C)coc2C1 100153090 KBMSVODXFLAQNJ-ILKNJTSDSA-N 260.289 2.606 30 40 CFEB CN(C)c1ccc(/N=C/c2n(C)c3ccccc3[n+]2C)cc1 494397 GEDBCYLXJNGRPF-UHFFFAOYSA-N 293.394 2.819 30 40 CFEB CSc1nc(CSc2ccccc2)nc(N)c1C#N 126825 QMBRHGMCVQBXKU-UHFFFAOYSA-N 288.401 2.945 30 40 CFEB Cc1cc(C)nc(NN=C2CCN(C(C)(C)C)CC2)n1 60798638 XMYMXIZDMLOCOS-UHFFFAOYSA-N 275.400 2.756 30 40 CFEB O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cccc(O)c1 44025215 JNXIADYCXPJBPH-VOTSOKGWSA-N 295.342 2.679 30 40 CFEB COc1ccc2c(c1)CC/C(=C\c1csnn1)C2=O 48355550 NYMUSIWAQVKYOJ-UXBLZVDNSA-N 272.329 2.759 30 40 CFEB N#Cc1ccc(-c2nc(-c3cccs3)no2)nc1 84445065 OMWDQASGDRAIDM-UHFFFAOYSA-N 254.274 2.732 30 40 CFEB CC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 55232014 PBBIQOCFTHAXMX-SJORKVTESA-N 272.392 2.773 30 40 CFEB biogenic C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)N(C)CCC#N 195561295 RHZITJPNGJJSFI-NXEZZACHSA-N 299.827 2.813 30 40 CFEB COc1ccc(OC)c([C@H](OC[C@H]2CO2)C(F)(F)F)c1 95095971 TVLGZKBCUVOGKQ-SKDRFNHKSA-N 292.253 2.723 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc(F)cc1)C2 253371691 CASBRTUZLBYMRN-YSVLISHTSA-N 289.350 2.560 30 40 CFEB CCc1cnc(CCNc2ncccc2C#N)s1 76063812 RHYQJUOMFMXINI-UHFFFAOYSA-N 258.350 2.627 30 40 CFEB CCOC(OCC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 5575680 QQFQSACPYJTBON-LBPRGKRZSA-N 281.739 2.915 30 40 CFEB N#Cc1cc2c(cc1C#N)OC(c1ccccc1)=NN2 4698452 BIUFYTDLNHEFNX-UHFFFAOYSA-N 260.256 2.596 30 40 CFEB CCOC(/C=C/c1ccccc1)=C1/C(=O)C=C(OC)C1=O 100060346 BEDCQNBTLHLBEP-WPVXAIGOSA-N 284.311 2.673 30 40 CFEB biogenic COC(=O)c1ccc(/C=C/c2cccc(C#N)c2)nc1 40119147 BOECYIKSAXMKTB-FNORWQNLSA-N 264.284 2.910 30 40 CFEB C/C(=N\OCC(=O)NC1CCCC1)c1sc(C)nc1C 42115246 CAWHZLANEGWTAT-LICLKQGHSA-N 295.408 2.559 30 40 CFEB C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1Cl 42220669 JHPOMPDJWLXTEN-QWRGUYRKSA-N 266.772 2.681 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cccc(O)c1)O2 33746032 WMAZZEHROJUQLM-OVCLIPMQSA-N 296.278 2.795 30 40 CFEB N#Cc1cc(NC(=O)c2ccncc2)ccc1Cl 65622817 SWZHAAKTVFTFTE-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB CC(C)C(=O)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 71857338 HMVSLKGTWOTNGV-UHFFFAOYSA-N 291.782 2.516 30 40 CFEB N#CCCn1ncc2cc(Br)ccc21 72206761 FIAALLXLVUFYDE-UHFFFAOYSA-N 250.099 2.712 30 40 CFEB C=CCNC(=O)c1cc(F)cc(Br)c1 36394058 LPQIFTIYQHJCFE-UHFFFAOYSA-N 258.090 2.504 30 40 CFEB N#Cc1c(N)nc(SC2CCCC2)nc1C1CC1 225893840 UOVXHGKQQLZGEM-UHFFFAOYSA-N 260.366 2.843 30 40 CFEB C=CCO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96187032 VJPWHIJKVGRGQP-ILXRZTDVSA-N 279.405 2.683 30 40 CFEB O=C(OCc1ccccc1)N1CCC(S)CC1 71788748 QBAXWVLTELYSFY-UHFFFAOYSA-N 251.351 2.717 30 40 CFEB COC(=O)C[C@@H](C)SCc1cc(C#N)ccc1F 78814947 INPDQHWTTYOKAR-SECBINFHSA-N 267.325 2.882 30 40 CFEB C=CCOc1ccc(CNCc2ccccn2)cc1 6856082 ZQIYWPLGPZFHTA-UHFFFAOYSA-N 254.333 2.936 30 40 CFEB CN(C)/C=C(\C(=O)c1cccs1)C(=O)C(F)(F)F 34387622 HMKYPMUUZCJODN-VOTSOKGWSA-N 277.267 2.508 30 40 CFEB C[C@@H]1CCc2c(sc(NC(=O)CC#N)c2C#N)C1 36240660 ILBYIKWBDOYXMW-MRVPVSSYSA-N 259.334 2.597 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1ccc(F)cc1F 3445426 ICZZWLVBLOVQJP-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB Cc1cc(C)c(C#N)c(SCc2cn3cccnc3n2)n1 91552 DYYVXJLSMNCYFK-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C 78997212 GRIWOIKYCKSAMO-UHFFFAOYSA-N 283.335 2.664 30 40 CFEB Cc1cccc(N2CC(=O)C(c3ccccc3)=C2N)c1 3411526 UCSVPIFXKROUMH-UHFFFAOYSA-N 264.328 2.712 30 40 CFEB C[C@H](/C(=N\O)c1ccccc1)N1C(=O)c2ccccc2C1=O 104237490 OQRWHCYNZKHNHQ-AFMLGWFNSA-N 294.310 2.550 30 40 CFEB C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H](c2ccsc2)O1 107362507 AITOBZXHKMOYGZ-RISCZKNCSA-N 285.372 2.981 30 40 CFEB C=CCCO[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 58029930 KNUSJHURROCLKW-GFCCVEGCSA-N 261.321 2.809 30 40 CFEB CCc1ccc(OCC(=O)N(C)C2(C#N)CCC2)cc1 58294527 OXBNAXBJJOGRHR-UHFFFAOYSA-N 272.348 2.532 30 40 CFEB Cc1ccccc1C1CC(=O)C(=C2NCCS2)C(=O)C1 20800956 AGHKKYGXHHDGIL-UHFFFAOYSA-N 287.384 2.559 30 40 CFEB C[C@H](C#N)Sc1nc(=N)c2c3c(sc2[nH]1)CCCC3 14093104 RPNGVSHMMVYOSF-SSDOTTSWSA-N 290.417 2.987 30 40 CFEB Cc1cscc1C(=O)OCC1(C#N)CCOCC1 97056601 UWBGHMFDPTTZDA-UHFFFAOYSA-N 265.334 2.534 30 40 CFEB C/N=C(/NCCOc1ccccc1)N[C@H](C)c1ccccc1 72271850 TXEFGSFUDDTHBM-OAHLLOKOSA-N 297.402 2.992 30 40 CFEB CC(C)(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(C#N)c1 97144881 DZDWNOMHEKJGLV-GFCCVEGCSA-N 277.324 2.675 30 40 CFEB C=CCSc1nnc(-c2ccc(Cl)cc2)n1N 40925062 LXHZRTBBLANQDL-UHFFFAOYSA-N 266.757 2.590 30 40 CFEB C=CCN(C)C(=O)N[C@H](C)Cc1ccc(F)cc1 195570619 NMXVTVWOJKPDJB-LLVKDONJSA-N 250.317 2.584 30 40 CFEB C=C(C(=O)OC12C[C@H]3C[C@H](CC(O)(C3)C1)C2)C(C)(F)F 94986133 ZVASJEUBGVEDCR-MPLXBHQASA-N 286.318 2.825 30 40 CFEB C#CCOc1cccc(NC(=O)NCCCSC)c1 77466021 RJAHHRSIKBNVNJ-UHFFFAOYSA-N 278.377 2.573 30 40 CFEB N#Cc1ccc(NCCCOC[C@H]2CCCO2)c(F)c1 96429094 XCUMDPPXCBOCNC-CYBMUJFWSA-N 278.327 2.695 30 40 CFEB CCNNc1cc(C)c(C#N)c2nc3ccccc3n12 5322280 PZWRTHWYVBLORC-UHFFFAOYSA-N 265.320 2.604 30 40 CFEB O/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 5944541 OVTDVLOQKHSZDK-PJQLUOCWSA-N 267.647 2.870 30 40 CFEB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(C#N)c1)C2=O 9579153 SQHUDPPVDPSCTB-SJKOYZFVSA-N 297.358 2.559 30 40 CFEB Cc1ccc(F)cc1NS(=O)(=O)c1ccccc1C#N 12788950 MKZMZLBCRYSXOL-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB COc1cc(C#N)cc(NC(=O)c2ccccc2)c1O 85412493 ROEPQNDRTJWYIK-UHFFFAOYSA-N 268.272 2.525 30 40 CFEB Cc1ccc(NC(=O)CO/N=C(/N)C(C)(C)C)cc1C 40155648 FIYKADMLBWKTNQ-UHFFFAOYSA-N 277.368 2.577 30 40 CFEB CCOc1cc(C#N)ccc1OCC1CCOCC1 52172809 AAEFMKGZLFAZIJ-UHFFFAOYSA-N 261.321 2.762 30 40 CFEB N#C[C@@H](C(=O)NC1CC1)C(=O)c1cc2ccccc2s1 103504768 JBNCKSMYSVOXJN-LLVKDONJSA-N 284.340 2.502 30 40 CFEB O=C1/C(=N/O)c2cc([N+](=O)[O-])ccc2-c2ccccc21 102890600 TUEQZRCRIQYWSK-FYWRMAATSA-N 268.228 2.636 30 40 CFEB CN(C)C1(CNC(=O)c2cccc(C#N)c2)CCCCC1 3409404 HLHUICLOYQLXRE-UHFFFAOYSA-N 285.391 2.553 30 40 CFEB Cc1ccccc1S(=O)(=O)/N=C(\O)CCOCC(C)C 48426621 OLVFTEDMJANEOF-UHFFFAOYSA-N 299.392 2.703 30 40 CFEB COc1ccc(C)cc1/C=C/C(=O)c1cnn(C)c1 49151322 CZLNISQLVJRQHI-AATRIKPKSA-N 256.305 2.633 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2C)c(C)s1 49501832 NQRNYIPTZOJLPY-HZGVNTEJSA-N 273.379 2.666 30 40 CFEB N#CCN(CCCO)C(c1ccccc1)c1ccccc1 65494483 RXEGAFGCQGYBCQ-UHFFFAOYSA-N 280.371 2.984 30 40 CFEB Cc1[nH]/c(=N\N=C\c2ccc([N+](=O)[O-])cc2)sc1C 4697638 CYXYPNYMKPBNFV-NTUHNPAUSA-N 276.321 2.536 30 40 CFEB N#Cc1ccc(/C=C/C(=O)NCc2cccs2)cc1 9365323 HDGWTHBWKYJMBW-BQYQJAHWSA-N 268.341 2.949 30 40 CFEB COc1ccccc1/C=C/C(=O)c1nn(C)cc1Cl 6925495 FGPKCMIWLQYFQT-BQYQJAHWSA-N 276.723 2.978 30 40 CFEB CCc1ccc(C(=O)/C=C/N=c2cc[nH]cc2)cc1 409102760 UAEMNKZIIPHADT-FMIVXFBMSA-N 252.317 2.874 30 40 CFEB C#CCOCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 97143514 JODPYKCQYIYCGT-UHFFFAOYSA-N 288.130 2.677 30 40 CFEB O=C(NO)c1cc(Cl)cc(Cl)c1Br 226289813 HLWVMGIKSHGQAE-UHFFFAOYSA-N 284.924 2.875 30 40 CFEB CCOC(=O)/C=C/c1cc(Br)cc(C#N)c1 83291657 QUPRKPWFMBAZMR-ONEGZZNKSA-N 280.121 2.897 30 40 CFEB CCn1c(C#N)cc(N)c1Oc1ccccc1OC 225883111 IKELFUIVUIMHKS-UHFFFAOYSA-N 257.293 2.763 30 40 CFEB CC(C)(C)c1cc(NC(=O)N(CCC#N)C2CC2)no1 96434594 LNZIDUWWHQJDTO-UHFFFAOYSA-N 276.340 2.882 30 40 CFEB C=C[C@@H](C)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95979499 KNMQFHYQMJKNAA-HQJQHLMTSA-N 274.147 2.718 30 40 CFEB O=C(/C=C/c1ccco1)c1ccc(O)c(C(=O)O)c1 17109084 MRLBBQHEODASGQ-GQCTYLIASA-N 258.229 2.580 30 40 CFEB COc1cccc(C(=O)OCc2cccc(C#N)c2)c1OC 5536235 FMUQRDDJVZKTMM-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB N#Cc1cc(C#N)c(SCc2ccccc2F)nc1N 20814516 FUTTVGLXJUDQEI-UHFFFAOYSA-N 284.319 2.839 30 40 CFEB N#Cc1cc(F)c(NCCCOC[C@@H]2CCOC2)c(F)c1 77229650 IRFQXOMKYMZWSX-NSHDSACASA-N 296.317 2.692 30 40 CFEB Cc1ccc(S(=O)(=O)OC(F)(F)C(F)(F)F)cc1 1612967 JKFYASKNENESEL-UHFFFAOYSA-N 290.209 2.855 30 40 CFEB N#Cc1c(CN(C[C@H]2CCOC2)C2CC2)cn2ccccc12 71850385 BSSOBVYIUDQYFX-CQSZACIVSA-N 295.386 2.812 30 40 CFEB C[C@H](NC(=O)Nc1nccs1)c1ccc(C#N)cc1 43160092 BOAIVUPCRYAAIL-VIFPVBQESA-N 272.333 2.897 30 40 CFEB CC1=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O 100740729 LGTPFUFUFYEBOC-UHFFFAOYSA-N 289.070 2.616 30 40 CFEB biogenic C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCc2ccccc21 63094583 YWGCNLDPMRUGIB-IUODEOHRSA-N 256.349 2.867 30 40 CFEB O=C1N[C@H](c2cccs2)C(C(=O)c2cccs2)=C1O 4453204 KCXBDIVMYROFRT-SNVBAGLBSA-N 291.353 2.676 30 40 CFEB Cc1nc(C)c(C(=O)Nc2cccc(C#N)c2)s1 7996328 DCTBUPJSKGATLJ-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB N#CCNC(=O)c1cc(Cl)ccc1OC1CCCC1 96454252 IZSLFDUIRAKLRL-UHFFFAOYSA-N 278.739 2.915 30 40 CFEB CC(=O)c1ccc(F)cc1NC(=O)c1ccc(C#N)cn1 97107031 LTNASBKOKMXTSZ-UHFFFAOYSA-N 283.262 2.547 30 40 CFEB C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)CCC1=O 95448986 ARQJBUWHEMVLMS-DOMZBBRYSA-N 284.359 2.522 30 40 CFEB CCCCn1nc(Cc2ccccc2F)c(C#N)c1N 225832042 JAVBULDNWHWLLH-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 206116494 XSUMAENGLSIWFW-UHFFFAOYSA-N 276.185 2.989 30 40 CFEB O=C1C[C@H](N2CCCCC2)C=C1Nc1ccccc1 118192 POZQAXCYDPAECF-CQSZACIVSA-N 256.349 2.810 30 40 CFEB N#Cc1c2c(c(O)n3c1nc1ccccc13)CCCC2 156050 CXLWXIIHLCOMLC-UHFFFAOYSA-N 263.300 2.944 30 40 CFEB Cc1cccc(C(=O)O/N=C2/C[C@@H](C)N(C)C[C@@H]2C)c1 3900673 WSBKLQGARDLANT-RGHHBTPQSA-N 274.364 2.868 30 40 CFEB CCC[C@H](C#N)NC(=O)CCC(=O)c1ccc(F)c(F)c1 87234869 IOUFZGZBASLMQI-LLVKDONJSA-N 294.301 2.736 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)CCc1cccs1 97107193 MLEQSLUDBQJYRF-SECBINFHSA-N 275.395 2.766 30 40 CFEB C=CCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20454329 YFVDHQKHTUDFAU-GFCCVEGCSA-N 253.729 2.800 30 40 CFEB CCCCCCCCNC(=O)C(=O)NC1CCCC1 408706683 CLQUZDOOSDDGPY-UHFFFAOYSA-N 268.401 2.522 30 40 CFEB N#C[C@H](/C=C1/NN=C2CCCCCN21)C(=O)c1ccccc1 94992704 ZUKUIPDQLSWKND-HNDQUVLASA-N 294.358 2.643 30 40 CFEB CCOc1nc(-c2ccc(Cl)cc2)ccc1/C(N)=N/O 96007061 MALWRDXYWBHONX-UHFFFAOYSA-N 291.738 2.895 30 40 CFEB CCOC(=O)N/C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 4266748 APACOMOGYGDSLN-ODEDPACMSA-N 251.326 2.642 30 40 CFEB Brc1cccc(/C=N/[C@H]2N=CN=N2)c1 11613917 PRDOVSGCMCHQDO-WUFUFFIZSA-N 251.087 2.646 30 40 CFEB Oc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1 19835412 VYJJTZBKMFTTEX-RGEXLXHISA-N 295.386 2.544 30 40 CFEB CSC(=NC=[N+](C)C)Nc1c(C)cccc1C 1395699 HLBZMPHBLBMYJZ-UHFFFAOYSA-O 250.391 2.735 30 40 CFEB O=C(O)c1ccc(/C=C/C(=O)c2ccccc2C(=O)O)cc1 12249735 MYDOGEFRHSZULB-JXMROGBWSA-N 296.278 2.979 30 40 CFEB NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1 103724416 NIAOAZGXZIBMSN-NVMNQCDNSA-N 288.734 2.955 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCc2ccccc21 45003388 JLNAKOUQJGPVQC-SJLPKXTDSA-N 299.418 2.660 30 40 CFEB C[C@@H](Oc1cccc(/C=C/C(=O)c2cccnc2)c1)C(=O)O 58464456 FQIPCKKYCITQRF-ABZNLYFFSA-N 297.310 2.830 30 40 CFEB C=CCN/C(S)=N\N=C\c1ccc(SC)cc1 6584953 IAZGQPDIYDSMNH-NTEUORMPSA-N 265.407 2.804 30 40 CFEB C=CCc1cc(C=O)cc(Br)c1OCC#N 408843626 GQQQMEDBLOBZEQ-UHFFFAOYSA-N 280.121 2.892 30 40 CFEB CC(C)(C)SCC(=O)N1CCc2c(C#N)cccc21 521394863 XXPRAWKVTKUXPT-UHFFFAOYSA-N 274.389 2.979 30 40 CFEB O=C1ON=C(c2ccccc2)[C@@H]1Cc1ccccc1 136376302 BGJVSKFHTPNSOJ-AWEZNQCLSA-N 251.285 2.806 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccc(F)cc1 225863049 YCRKMDFRXUAPCS-UHFFFAOYSA-N 273.311 2.722 30 40 CFEB Cc1cc(C)c(B2OB(c3c(C)cc(C)cc3C)O2)c(C)c1 195770940 VDSLHIBFQOMTCG-UHFFFAOYSA-N 291.996 2.675 30 40 CFEB O/C(=N\c1nnc2ccccn12)c1cc2c(s1)CCC2 84606648 XWUJVIARBYOLID-UHFFFAOYSA-N 284.344 2.916 30 40 CFEB COc1cccc([C@@H](CO)Nc2ccc(C#N)cc2F)c1 96429605 NAADCGBJVVDDRO-MRXNPFEDSA-N 286.306 2.851 30 40 CFEB CCCCSCCC(=O)N1CCC(C#N)CC1 96416945 CNSGEFHTTBLCPQ-UHFFFAOYSA-N 254.399 2.672 30 40 CFEB CCc1ccc(O)c(C(=O)N[C@H](C#N)C(C)(C)C)c1 92421907 ZSLDGSZTYJKFQA-CYBMUJFWSA-N 260.337 2.623 30 40 CFEB COC(=O)[C@@H]1CC/C(=N\c2cccc(C(F)(F)F)c2)N1 1624936 FDRVXGAZLWKMBV-JTQLQIEISA-N 286.253 2.660 30 40 CFEB COc1ccc(CC(=O)Nc2ccccc2C#N)cc1 585145 MZTUNIIIBIPTTH-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB COc1ccc(C(=O)[C@H](C#N)C(=O)c2cccs2)cc1 103259727 WFIFDEJAFQXXOP-LBPRGKRZSA-N 285.324 2.962 30 40 CFEB C=CCCC(=O)NCCc1nc(CC)c(C)s1 83820148 ACOHGVFBTZTWOO-UHFFFAOYSA-N 252.383 2.639 30 40 CFEB Cc1nc(C/C(N)=N/OC/C=C/c2ccccc2)cs1 63456801 KASCZIGGYWOMFF-VMPITWQZSA-N 287.388 2.996 30 40 CFEB Cc1nc([C@H]2CCCCN2Cc2cccc(C#N)c2)no1 64543318 SOLPAAIDRMLAHV-OAHLLOKOSA-N 282.347 2.977 30 40 CFEB C[C@H](C#N)OC(=O)c1ccc(COc2ccccc2)o1 6125384 FVSJVYQTSUKEBJ-LLVKDONJSA-N 271.272 2.927 30 40 CFEB CC/N=C1\S/C(=C\c2cc(C)n(C)c2C)C(=O)N1CC 408767161 JKTATWSSHNJHSA-JWFVMAOISA-N 291.420 2.954 30 40 CFEB CN(CC#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89335294 WJVUVQMRBUKMQF-CVEARBPZSA-N 264.328 2.925 30 40 CFEB O=c1c(/C=N/Nc2ccccc2)c(Cl)nc2ccccn12 46087030 SWDBFFIAOYTPPT-LICLKQGHSA-N 298.733 2.794 30 40 CFEB CCCCCn1c(C#N)cc(N)c1O[C@H](C)COC 225877081 YNAGCOMGSUJQPU-LLVKDONJSA-N 265.357 2.546 30 40 CFEB C=CCSc1nc(N)c(C#N)c(Cc2ccccc2)n1 223664223 AVOKPBPDXUPCLB-UHFFFAOYSA-N 282.372 2.799 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccccn1)C2 96050011 UEDBFHBZGRFCGY-SFHVURJKSA-N 299.418 2.615 30 40 CFEB C[C@@H](NC(=O)/C(Cc1ccccc1)=N/O)c1ccccc1 17430172 UIUFNYVIYSLSEL-OOESYIKTSA-N 282.343 2.937 30 40 CFEB CCN(c1ccccc1/C(N)=N/O)C1CCCCC1 20075972 IHPUDMSJLXKWRT-UHFFFAOYSA-N 261.369 2.940 30 40 CFEB CO[C@@H]1C=CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N 340761 GFZHCBZHBYOVFD-UONOGXRCSA-N 283.287 2.687 30 40 CFEB Oc1ccc(/C=N/c2cccc3nsnc23)c(O)c1 6829234 SERMNIUCWUVUOG-VGOFMYFVSA-N 271.301 2.853 30 40 CFEB Cc1noc(C)c1CS/C(N)=N/Cc1ccco1 7814486 LNLSLRSQGOWZNL-UHFFFAOYSA-N 265.338 2.633 30 40 CFEB C=CCOc1ccc(-c2nonc2NC(=O)CC)cc1 12323017 QDDMEDSQSWUQNC-UHFFFAOYSA-N 273.292 2.650 30 40 CFEB N#Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 58246123 FQMOXMZITAXUKD-UHFFFAOYSA-N 266.348 2.661 30 40 CFEB COC1=CC(=O)C([C@@H](C)c2ccc(OC)cc2)=C/C1=N\O 104227074 MHOMMLPZUKOGQB-KDSBZSBUSA-N 287.315 2.668 30 40 CFEB Nc1cnn(CC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 103711398 LOBWCYPKLAKFJF-UHFFFAOYSA-N 297.149 2.636 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(OC(C)(C)C)cc1 100010653 WBSBXQHTOMZKKB-LCYFTJDESA-N 278.304 2.662 30 40 CFEB COc1cc(C(=O)N(C)C[C@@H](C)C#N)ccc1OC(C)C 58380933 JQLYSDQRZUWAFE-LBPRGKRZSA-N 290.363 2.714 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@]2(C#Cc3ccccc3)O[C@H]2C1 100256904 KGQUBRJIDRISHG-YJBOKZPZSA-N 299.370 2.817 30 40 CFEB N/C(=N/OCc1coc(-c2ccccc2)n1)c1cccnc1 63456691 KVEHMKHHVWMCOS-UHFFFAOYSA-N 294.314 2.574 30 40 CFEB CCOc1cccc(C(=O)Nc2cc(C)nn2CCC#N)c1 65606953 LNSJMWHGEMFBEV-UHFFFAOYSA-N 298.346 2.756 30 40 CFEB CC/N=C(/NCC(C)(C)CC1CCOCC1)NC1CC1 97022033 PLEDUMLEHDJLFY-UHFFFAOYSA-N 281.444 2.547 30 40 CFEB N#CCCn1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)n1 95403977 BSUDESJGYWAKEN-CYBMUJFWSA-N 287.367 2.593 30 40 CFEB C[C@H](Oc1ccc(/C=N/c2ccc(O)cc2)cc1)C(=O)O 408859643 OLJSPQMSGNDUIU-MUOOZZNISA-N 285.299 2.995 30 40 CFEB Cc1ccc2c(c1)[C@H](CC#N)C(=O)N2Cc1ncc(C)o1 218811362 QVRLJCNBZBNOSR-LBPRGKRZSA-N 281.315 2.836 30 40 CFEB N#CCC[C@H](C#N)Cn1ccnc1[C@@H](O)c1ccc(F)cc1 189438022 BWWBIRGQPCCFOS-DOMZBBRYSA-N 298.321 2.547 30 40 CFEB CC(=O)C1=C(O)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 5853174 RDHGSRZEZXHMPD-LLVKDONJSA-N 287.098 2.992 30 40 CFEB C=CCN(C)C(=O)Nc1cnn(CCC(C)C)c1C 157654076 PPFPAYCHVQXCRU-UHFFFAOYSA-N 264.373 2.887 30 40 CFEB N#CC1(C(=O)Nc2ccc(F)cc2F)CCCC1 20962371 FJZFWBALDXXHAB-UHFFFAOYSA-N 250.248 2.987 30 40 CFEB Cc1cnc(Nc2nc(C3CCNCC3)ccc2C#N)s1 2037834999 QGVRUOUJVCJOHV-UHFFFAOYSA-N 299.403 2.929 30 40 CFEB N#Cc1c(NC(=O)c2ccno2)sc2c1CCCC2 10253912 FDQRDDKPPHPEGX-UHFFFAOYSA-N 273.317 2.739 30 40 CFEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 40285807 OUSLUTDIEQDRKP-MRXNPFEDSA-N 290.326 2.777 30 40 CFEB N#Cc1ccc(CCC(=O)N2CCOc3ccccc32)cc1 33168074 DJWWKEDZKUIXRT-UHFFFAOYSA-N 292.338 2.916 30 40 CFEB NC(=S)N/N=C/c1ccc2oc3ccccc3c2c1 6576365 SWTRTKBZOVCPSB-LZYBPNLTSA-N 269.329 2.753 30 40 CFEB COc1cc2c(O)c(C#N)cnc2cc1OC(C)C 100026185 VOMVZTSGWMTRNZ-UHFFFAOYSA-N 258.277 2.608 30 40 CFEB N#Cc1ccc(Oc2nccnc2C#N)c(Cl)c1 72082132 UKKICDHVAXMTLA-UHFFFAOYSA-N 256.652 2.666 30 40 CFEB CNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1 5020560 VYCVYQBPBQHUNX-FRKPEAEDSA-N 275.299 2.523 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1 4979975 HRAHPHIQUKWDEK-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CSc1cccc(OC)c1 71813648 OWYCYDDWPCKTIQ-GFCCVEGCSA-N 292.404 2.795 30 40 CFEB N#CCCN(CCOc1ccccc1F)C1CCOCC1 95400903 HKAJRDAQIZVKOA-UHFFFAOYSA-N 292.354 2.599 30 40 CFEB C/C(=N\OCCN1CCCc2ccccc21)c1cnn(C)c1 98053072 ZYRJREFNTMBAQQ-XMHGGMMESA-N 298.390 2.614 30 40 CFEB C#CCn1c(CCCCCNC(C)=O)nc2ccccc21 20868236 VGLHSOMYLINHST-UHFFFAOYSA-N 283.375 2.518 30 40 CFEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1O 35391966 ZWIOFXDTZIYXGN-OVCLIPMQSA-N 297.274 2.623 30 40 CFEB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC#N)C2 85398888 FSRFSLXWGWWDBH-INTQDDNPSA-N 258.159 2.605 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)[C@H]1CCCC1=O 255187276 CLUBVWUCTRHYSC-IYPWXLATSA-N 256.309 2.720 30 40 CFEB CC[C@@H]1Cc2ccccc2CN1c1cnc(C#N)cn1 274648926 CGVVLCWXBBIPHF-OAHLLOKOSA-N 264.332 2.690 30 40 CFEB CCCN(C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1 78563023 DLYNPVLESOAJNT-CYBMUJFWSA-N 275.371 2.865 30 40 CFEB Cc1ccc(C(=O)/C=C/Sc2nncn2C)cc1 1041239 DZYJCXCIKUUFGV-BQYQJAHWSA-N 259.334 2.612 30 40 CFEB Brc1cccc(/C=N/[C@@H]2N=CN=N2)c1 11613916 PRDOVSGCMCHQDO-JTTRITNRSA-N 251.087 2.646 30 40 CFEB COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 2530821 DYXUHHLEYWWLIB-UHFFFAOYSA-N 294.525 2.897 30 40 CFEB Cn1c(=O)c(C(=O)/C=C/c2ccco2)c(O)c2ccccc21 100362529 BOWUYWXPNLRIGM-CMDGGOBGSA-N 295.294 2.733 30 40 CFEB CN(C(=O)c1ccc(F)cc1F)c1ncccc1C#N 44979901 WWWNXDSHJSIXCY-UHFFFAOYSA-N 273.242 2.508 30 40 CFEB COc1ccnc(Oc2ccccc2)c1C(=O)/N=C/N(C)C 4024999 FAAPSFVMCPMQCT-WOJGMQOQSA-N 299.330 2.613 30 40 CFEB N#CCN(C(=O)c1csc(-c2ccccc2)n1)C1CC1 49426094 MBFOSFMMGRUSAY-UHFFFAOYSA-N 283.356 2.938 30 40 CFEB C[C@H](Oc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 6508749 MTCBVSLTXFGOLB-LBPRGKRZSA-N 290.338 2.936 30 40 CFEB CCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1 5961613 FHKPGTROQGHUSW-HMMYKYKNSA-N 294.402 2.800 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 15580058 NPUOVZOFWZMUKG-OAHLLOKOSA-N 264.284 2.500 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)C(C)C)cc1Cl 80298421 LDDQQMPAEGHVRG-UHFFFAOYSA-N 275.757 2.950 30 40 CFEB Cc1cc(Cn2ccc(C)c(C#N)c2=O)c2ccccc2n1 97114921 CRQZKDJSUZZAIC-UHFFFAOYSA-N 289.338 2.933 30 40 CFEB C=CCOc1cccc(-n2nc3cc(N)c(OC)cc3n2)c1 216871144 UEBRRALZWAURDG-UHFFFAOYSA-N 296.330 2.576 30 40 CFEB CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 254623962 MIXFDFCKBMCLGN-UHFFFAOYSA-N 288.372 2.698 30 40 CFEB C=C(Cl)CN1CCN(c2ccccc2OC)CC1 39987655 QGNXGMITBJRMAG-UHFFFAOYSA-N 266.772 2.570 30 40 CFEB N#Cc1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 13012855 DIGJJCWPZFDALE-QGZVFWFLSA-N 292.338 2.772 30 40 CFEB CC(C)(CO)/N=C/c1ccccc1Br 17721313 VSRIKFWTXYFKAT-NTUHNPAUSA-N 256.143 2.639 30 40 CFEB CC(C)(CO)/N=C/c1cccc(Br)c1 18163499 IPJABRYWAOWJQI-NTUHNPAUSA-N 256.143 2.639 30 40 CFEB CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 4305356 VMENWCGFKHUBAV-CXUHLZMHSA-N 285.307 2.502 30 40 CFEB CCN(CC)c1nc(C#N)cc(-c2ccccc2)n1 76017 MHQKEAQAAQATNY-UHFFFAOYSA-N 252.321 2.861 30 40 CFEB C=C(C)CN1CCC(NC(=O)NC2CCCCC2)CC1 69707833 VQJXXDSZUYOITF-UHFFFAOYSA-N 279.428 2.659 30 40 CFEB C=C(C)CN1CCC(NCc2ccc3cn[nH]c3c2)CC1 106244878 OCTNWRMBWXFSIK-UHFFFAOYSA-N 284.407 2.693 30 40 CFEB C=C(C)COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 28081904 DKUFMKQHVSCLIU-SECBINFHSA-N 277.345 2.852 30 40 CFEB CCc1ccccc1NC(=O)CN(C)c1ncccc1C#N 12820934 KZSIWHYHTLJHNH-UHFFFAOYSA-N 294.358 2.591 30 40 CFEB N#CCSc1nncn1-c1cccc(Cl)c1 7318762 DGXQAYPWBHJMMM-UHFFFAOYSA-N 250.714 2.536 30 40 CFEB C[C@@H](C#N)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 69454225 HCQLNJPXLVXGGL-IUCAKERBSA-N 286.253 2.501 30 40 CFEB N#Cc1c(Cl)nsc1N1CCC(n2ccnc2)CC1 71899517 SBVQEQQNPOCWMQ-UHFFFAOYSA-N 293.783 2.706 30 40 CFEB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C#N)cn1 71859635 BJKHATAIAYWJIK-AWEZNQCLSA-N 281.363 2.645 30 40 CFEB N#CCCCCN(C[C@@H](O)c1ccccc1)C1CC1 71910720 HQKGFZGKNQEQEY-MRXNPFEDSA-N 258.365 2.878 30 40 CFEB N#Cc1ccc(C(=O)OCCC[C@@H]2CCCO2)cc1 97113169 CJZGPEVGTOENKJ-AWEZNQCLSA-N 259.305 2.674 30 40 CFEB N#CCCCCSc1nncn1CC(F)(F)F 89885503 CTMKJJGNMPRUNI-UHFFFAOYSA-N 264.276 2.626 30 40 CFEB C=CCN(Cc1cccs1)C(=O)c1cccc2nn[nH]c12 189703326 JFUPAGLVZMJRLX-UHFFFAOYSA-N 298.371 2.848 30 40 CFEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccs1 44920347 DRGFCFJJTLYIBV-CQSZACIVSA-N 296.355 2.838 30 40 CFEB N#Cc1ccc(NCC(=O)N2CCCCCCC2)cc1 49136764 IZGFNMKWCCSBDD-UHFFFAOYSA-N 271.364 2.763 30 40 CFEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(C(C)C)cc1 40116198 FXXMUIOXUGJJKO-UHFFFAOYSA-N 298.408 2.802 30 40 CFEB C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccco1)C[C@]32C 245241488 FWQIXDFKAFWAKS-BQDHKBFISA-N 270.332 2.824 30 40 CFEB CSc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 642814548 LHXBVDBEZKVXBU-UHFFFAOYSA-N 286.152 2.986 30 40 CFEB N#Cc1c(-c2ccccc2Cl)nc2n(c1=O)CCS2 5607339 XFKOILNMVBWZNN-UHFFFAOYSA-N 289.747 2.541 30 40 CFEB CC(=O)/C(=C/C=C/c1ccccc1)C(=O)CCN(C)C 1581515 XZEKQJUFHQLGSM-CRWKAAGYSA-N 271.360 2.736 30 40 CFEB C=CCNS(=O)(=O)c1ccc(OCC)c(C(C)(C)C)c1 30768819 HOYXTUBBISTSSB-UHFFFAOYSA-N 297.420 2.847 30 40 CFEB Cn1c(SCc2ccc(C#N)cc2)nnc1C(F)(F)F 2646858 MQPIGTLUUOKZLE-UHFFFAOYSA-N 298.293 2.998 30 40 CFEB CCCn1c(=O)n(C[C@H](C#N)CCC#N)c2ccccc21 53728284 GOCNQBWHEOLFCT-ZDUSSCGKSA-N 282.347 2.657 30 40 CFEB C=CCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 65487585 IFUKKPJOLWDARI-LLVKDONJSA-N 266.410 3.000 30 40 CFEB C(=N/c1ccccc1)\c1ccc(N2CCOCC2)o1 409015484 SGSASEIMITULEN-FOWTUZBSSA-N 256.305 2.867 30 40 CFEB COc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1 19593996 RCWHVQVJHLZELL-UHFFFAOYSA-N 267.210 2.716 30 40 CFEB C[C@H](NC(=O)CSc1ncccc1C#N)c1ccccc1 7051545 UDWDZNFCUZRJRI-LBPRGKRZSA-N 297.383 2.923 30 40 CFEB N/C(=N\Cc1nccs1)Nc1ccc2c(c1)CCC2 170907243 RXLWCXUIHWKSDJ-UHFFFAOYSA-N 272.377 2.559 30 40 CFEB COc1ccc([C@@H]2NC(SC)=NC(C)=C2C(C)=O)cc1 408731949 RCNCHWWRGBMTJO-AWEZNQCLSA-N 290.388 2.922 30 40 CFEB CNC(=O)[C@@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1 78715043 ULJUPPWZRONDLC-BCLQGDPASA-N 298.386 2.805 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC2=CC(=O)CC[C@H]2C1 217917075 KXRNOAJRJBOWEU-ONGXEEELSA-N 251.326 2.579 30 40 CFEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccccc2)cn1 225960835 WCCSNEQBGOJIQG-MRXNPFEDSA-N 281.315 2.510 30 40 CFEB C=CCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225807990 TWRUSJCJNNXJIC-GFCCVEGCSA-N 259.349 2.635 30 40 CFEB CCC/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 96459845 CSTCYOWPZXWUBC-UHFFFAOYSA-N 275.757 2.926 30 40 CFEB CCOC(=O)/N=C(\NC(=O)OCC)c1cccc(C)c1 5717056 GVEALYJDYTVLSV-UHFFFAOYSA-N 278.308 2.644 30 40 CFEB Cn1cccc1/C=C1\S/C(=N\c2cccc(O)c2)NC1=O 13787070 OWYGVHQQZVAPGO-LCYFTJDESA-N 299.355 2.622 30 40 CFEB CCCCCCCC(=O)NCc1cnc2nccn2c1 521394317 OWKZYGPZKZQJOH-UHFFFAOYSA-N 274.368 2.706 30 40 CFEB CS/C(=N\C#N)N1CCN(c2ccc(Cl)cc2)CC1 100550517 PBXNRZFZDJXAKP-SSZFMOIBSA-N 294.811 2.662 30 40 CFEB C=CC[N+]1(CC#Cc2ccc(Cl)cc2)CCOCC1 346420 YHDDTKMLGVJDSY-UHFFFAOYSA-N 276.787 2.725 30 40 CFEB Cc1cc2nnc(SCc3cccc(C#N)c3)n2c(C)n1 32922528 LDNPXQMJEWVKJL-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB N#C[C@H](Cc1ccncc1)C(=O)Nc1ccccc1F 419729 MSHDXPVHYHLZER-LBPRGKRZSA-N 269.279 2.542 30 40 CFEB C=CCOc1c2c(cc3ccc(=O)oc13)CC=CO2 1565911 BMMCNEQRAYBXKG-UHFFFAOYSA-N 256.257 2.806 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] 4866606 UQBBTDSGUQJIBT-GTNCLJFYSA-N 277.324 2.690 30 40 CFEB COc1ccc(N/C=C2/C(=O)Oc3ccccc3C2=O)cc1 100408907 ITODFOOYLQFCEK-GXDHUFHOSA-N 295.294 2.793 30 40 CFEB Oc1ccc(/C=N\CC/N=C\c2ccc(O)cc2)cc1 104033299 NCCUCIVXVPMMDU-WHYMJUELSA-N 268.316 2.636 30 40 CFEB COc1cc(/C=[N+](/C)[O-])ccc1OCc1ccc(F)cc1 1401531 BQBGDNYPTVRWPP-ZDLGFXPLSA-N 289.306 2.972 30 40 CFEB O/C(CSc1ccccc1Cl)=N\c1ncn[nH]1 26263925 SXMTWQFEUNHVMZ-UHFFFAOYSA-N 268.729 2.838 30 40 CFEB O=[N+]([O-])c1ccccc1N[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100964881 STELCCUPGVMPOD-QLTOYXLVSA-N 261.281 2.635 30 40 CFEB C=CCNC(=O)[C@H](C)Sc1nc2cc(F)c(F)cc2[nH]1 12730824 JRFDJWBIMSTYSZ-ZETCQYMHSA-N 297.330 2.624 30 40 CFEB Cc1cn2c(CC(=O)Nc3cccc(C#N)c3)csc2n1 12734092 PNLYWRCZBKBERU-UHFFFAOYSA-N 296.355 2.757 30 40 CFEB Cc1ncc(C/N=C/c2ccc(Cl)cc2)c(N)n1 22910179 JNVZAWDDMSGDQY-OMCISZLKSA-N 260.728 2.640 30 40 CFEB in-vitro CCc1nc(CON=C2CCC3(CC2)OCCO3)cs1 63455795 PKHIODSQTUWBCA-UHFFFAOYSA-N 296.392 2.895 30 40 CFEB CCOc1ccc(/C=N/n2cn[nH]c2=S)cc1OCC 5444621 TZPJJVFMYNWRDL-OVCLIPMQSA-N 292.364 2.620 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(C#N)cc2F)c1 69597523 ZSOSZFJZTFBKHG-OLZOCXBDSA-N 286.354 2.942 30 40 CFEB COC(=O)[C@H](C)c1c(C)nn(Cc2cccc(C#N)c2)c1C 92316886 FBYVNTCJNCZOBG-LLVKDONJSA-N 297.358 2.696 30 40 CFEB COC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 78411033 GXXARCVPKYTIMF-CYBMUJFWSA-N 295.298 2.750 30 40 CFEB C#Cc1cccc(OCC(=O)c2cccc(OC)c2)c1 199744050 QMCPBWKJXVAGSK-UHFFFAOYSA-N 266.296 2.938 30 40 CFEB CS[C@@H]1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1 98010342 ICGIOPJBBKONOC-VXGBXAGGSA-N 266.410 2.861 30 40 CFEB C[C@H](C#N)CNC(=O)CC(C)(C)CC(=O)c1ccccc1 252502400 UPVJFCTWIMNFPC-CYBMUJFWSA-N 286.375 2.952 30 40 CFEB CSC(=NS(=O)(=O)Cc1ccccc1)SC 255187244 CGWPJAKRBLBSQF-UHFFFAOYSA-N 275.420 2.598 30 40 CFEB Cn1cc([C@@H]2CCCN2Cc2cc(C#N)ccc2F)cn1 69773728 XBBGQYPGEHJART-INIZCTEOSA-N 284.338 2.768 30 40 CFEB CC1=C2C(=O)Oc3ccccc3[C@H]2C2=C(CCCC2=O)N1 19690623 ANEYELUNXKPNLP-OAHLLOKOSA-N 281.311 2.574 30 40 CFEB N#Cc1ccc(Cn2ccc(-c3ccccn3)n2)cc1 169416912 FODSUMYDPSPPLR-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB Cc1cc(/C=N/n2c(C)nnc2S)c(C)n1CC(C)C 8227582 QPXQIUDVAFMNMA-VIZOYTHASA-N 291.424 2.832 30 40 CFEB COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 5782792 CLUSSTBQDBPQNY-AUWJEWJLSA-N 253.257 2.706 30 40 CFEB biogenic C=CCn1c(C)cc(C2=NN/C(=N\CC)SC2)c1C 6114548 ABSKDNSHWBYATD-UHFFFAOYSA-N 276.409 2.707 30 40 CFEB aggregator Cc1cc(C(=O)COc2ccccc2C#N)c(C)n1C 3618331 JBEZOQAPKBOXIB-UHFFFAOYSA-N 268.316 2.775 30 40 CFEB Cc1cc(CN(C)Cc2cc(C#N)ccc2F)no1 31656623 HHDSTZVRKXZKFB-UHFFFAOYSA-N 259.284 2.626 30 40 CFEB C=C(Cl)Cn1cnc2sc(CC)cc2c1=O 32830317 MJHZBEFFZDMMRQ-UHFFFAOYSA-N 254.742 2.773 30 40 CFEB COCCCO/N=C/c1ccc(OC(F)F)c(OC)c1 79105793 DGBXZNLLEJUANG-CXUHLZMHSA-N 289.278 2.684 30 40 CFEB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)C=CC(=O)[C@@H]13)[C@@H]1CC[C@@H]2C1 104295476 MFWXBRNFSDCQBU-YYZUFBCPSA-N 256.345 2.939 30 40 CFEB O/C(=N\c1ccccc1)Nn1cnc2ccccc21 12591085 OSRAYNJRJAWABS-UHFFFAOYSA-N 252.277 2.826 30 40 CFEB C=CCCOCC(=O)Nc1ccc(OC)c(Cl)c1 58044734 SVXAFOZVKXDZJD-UHFFFAOYSA-N 269.728 2.880 30 40 CFEB COC(=O)c1ccccc1/N=C\c1ccccc1O 44835707 UPKKHZACFHSHDD-YBEGLDIGSA-N 255.273 2.929 30 40 CFEB CSCC[C@@H]1NC(=O)C(/C(C)=N\c2ccccc2)=C1O 102800387 DKCIYFRPVXYSHY-KPENOIPVSA-N 290.388 2.843 30 40 CFEB Cc1ccc(-c2nc(C)c(C(=O)NCC#N)s2)c(C)c1 60336309 UYDVPUJNHXYJJZ-UHFFFAOYSA-N 285.372 2.989 30 40 CFEB CC(C)[C@@H](C)NC(=O)Nc1cccc(OCC#N)c1 48488712 UKMAQVDNOYLLTA-LLVKDONJSA-N 261.325 2.755 30 40 CFEB COc1ccc(C#N)cc1COc1ccc(CCO)cc1 92317366 ZGOGNHDWDQVOHB-UHFFFAOYSA-N 283.327 2.681 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)cc1)O2 5047777 PTQFQYKDIQOOMX-NVNXTCNLSA-N 296.278 2.795 30 40 CFEB biogenic,in-vitro CC(=O)c1cccc(NC(=O)CNc2cccc(C#N)c2)c1 7787214 INQRBYOVEHSIIU-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB Cn1c(CCCNc2ccc(C#N)nc2)nc2ccccc21 81009223 JYJJNNUZRZOVET-UHFFFAOYSA-N 291.358 2.885 30 40 CFEB CCN/C(S)=N\N=C\c1c(F)cccc1Cl 8024624 YJEWMOYBOZXBFS-MKMNVTDBSA-N 259.737 2.708 30 40 CFEB CC[C@@H](C#N)NC(=O)Cc1cc(Cl)ccc1Cl 69517003 ZCMCLJIPLBEAEJ-JTQLQIEISA-N 271.147 2.954 30 40 CFEB N#Cc1nc(N)n(CCCSCc2ccccc2)c1C#N 95463594 GXPDVPCAMKQOKY-UHFFFAOYSA-N 297.387 2.532 30 40 CFEB CC#CCCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C 95943133 ZQMCTAOWCPWTJM-CQSZACIVSA-N 280.412 2.779 30 40 CFEB C=CCOc1ccc(C(=S)NC[C@H]2CCCO2)cc1 408572793 IKXBGGCRTKWECX-CQSZACIVSA-N 277.389 2.696 30 40 CFEB CCOc1ccc(NC(=O)NC[C@H](C)C#N)cc1C 95410870 PCIYJUITMHSPSV-SNVBAGLBSA-N 261.325 2.675 30 40 CFEB Cc1cc(F)cc2c(N[C@@H](C)CCO)c(C#N)cnc12 96429537 MJSWLPGZXAJOAG-JTQLQIEISA-N 273.311 2.737 30 40 CFEB C[C@H](CC#N)NC(=O)[C@H](C)CCc1ccccc1F 79813249 BZJPCWYCBIPSET-VXGBXAGGSA-N 262.328 2.813 30 40 CFEB N#Cc1cc(F)ccc1NC[C@H](O)c1cccc(F)c1 96429271 YOROOQBMOZRMMF-HNNXBMFYSA-N 274.270 2.982 30 40 CFEB CN1CCN([C@@H]2CCC=CCCC=CCC/C2=N/O)CC1 1559628096 DXBHKGBDHJFKEM-XPWRKDSTSA-N 291.439 2.899 30 40 CFEB N#Cc1ccsc1NC(=O)c1cccnc1N1CCCC1 21841870 MORJRACPSFMNFQ-UHFFFAOYSA-N 298.371 2.867 30 40 CFEB CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C#N)cc1 31100100 JIEAULATQJYMRK-UHFFFAOYSA-N 281.315 2.928 30 40 CFEB C=C(C)c1nc2ccc(Br)cc2c(=O)o1 70110 VRDURIBNCWHXRW-UHFFFAOYSA-N 266.094 2.984 30 40 CFEB biogenic C#Cc1cccc(NCC(=O)NCc2ccccc2F)c1 29965828 SIACKPBIHUNBLA-UHFFFAOYSA-N 282.318 2.535 30 40 CFEB C=CCSc1nc2sc3c(c2c(=O)n1C)CCC3 2694861 BCPBUZGLFGUGLO-UHFFFAOYSA-N 278.402 2.762 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1 22408422 YTENLOAVNPCQMS-UHFFFAOYSA-N 299.351 2.671 30 40 CFEB C=C1C[C@H](C)O[C@H](c2ccccc2OCC(=O)O)C1 2097817 AIRCXKPETFMLRX-FZMZJTMJSA-N 262.305 2.946 30 40 CFEB biogenic N#Cc1ccc(NCc2ccc(-n3cccn3)cc2)nc1 48356382 SYCPHOULMAHVKA-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB COc1ccc2c(c1)CC/C(=C/c1cnn(C)c1)C2=O 12924167 SDENRIPWRHFTIG-QPEQYQDCSA-N 268.316 2.641 30 40 CFEB COC(=O)c1ccc(OCc2cccc(C#N)c2)c(OC)c1 8921613 VJKLFWWPGMPFET-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB COCc1cc(C)nc(N/N=C/c2ccc(F)cc2)c1C#N 4119095 NLYGCGVFBFYYMU-DJKKODMXSA-N 298.321 2.993 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCCOc2ccc(C#N)cc2)c1 69571680 CEKSPMKEHHBEHK-GJZGRUSLSA-N 298.390 2.681 30 40 CFEB C=C(C)CN1C(=O)CCc2cc(SCCCN)ccc21 218804818 SDKBCHAJNYSPDO-UHFFFAOYSA-N 290.432 2.983 30 40 CFEB CNc1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@@H]1N2 504663970 MRKJUQFZPAERTO-ZFWWWQNUSA-N 276.429 2.880 30 40 CFEB CN(C)c1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@H]1N2 199291507 QEILFQOAUMHSSE-ZBFHGGJFSA-N 290.456 2.904 30 40 CFEB C=CCN1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257240510 HTUVQNYRPRPVDS-HNNXBMFYSA-N 270.376 2.845 30 40 CFEB N#CC(C#N)/N=N/c1ccc(I)cc1 4016149 DETWKLHENUVUKN-BUHFOSPRSA-N 296.071 2.791 30 40 CFEB N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccco1 5903794 FQOUIKRFAMJJLB-ZDUSSCGKSA-N 250.257 2.971 30 40 CFEB COc1ccccc1C(=O)OCc1cccc(C#N)c1 5078871 MEHJPAPTNGARSZ-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3O/C2=N\O)c1 12471262 WJLCNPZXLWPICM-STGLLQLASA-N 296.326 2.973 30 40 CFEB CC1(C)CC(=NO)CC(C)(C)N1OC(=O)c1ccco1 36868 UCZNAAFJAOBLCU-UHFFFAOYSA-N 280.324 2.835 30 40 CFEB Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1O 100460863 BIKRYNCSWCMVHV-LDADJPATSA-N 298.342 2.685 30 40 CFEB N#Cc1c(F)cccc1NCc1ccc(-n2cccn2)nc1 54867236 VPPMWFAFMDVGBG-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB O=C(C[n+]1ccccc1)c1sccc1Br 3134539 OTLOZIUWHOEEJS-UHFFFAOYSA-N 283.170 2.681 30 40 CFEB Cc1cc(=O)[nH]c(NN=C(CC(C)C)CC(C)C)n1 12600726 QEUZYIOHMKQOBD-UHFFFAOYSA-N 264.373 2.938 30 40 CFEB Cc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCO4)o1 5427149 CGLAFVFOOWCZTG-JYRVWZFOSA-N 297.310 2.686 30 40 CFEB biogenic CC1(C)OB(c2c(Cl)cnc3[nH]ccc23)OC1(C)C 307390866 UMMDOOHYMOIEOK-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB C=CC[C@@H](CC)NC(=O)NC1CCN(CCC)CC1 225581421 MAHQUDLRPNKWDR-CYBMUJFWSA-N 267.417 2.515 30 40 CFEB CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nccnc1C#N 96411323 WNHVEEBRWCEFLX-YPMHNXCESA-N 274.368 2.601 30 40 CFEB COc1ccccc1CNc1nnc(C)c(C)c1C#N 24052868 VPSCLAJETOWYQN-UHFFFAOYSA-N 268.320 2.586 30 40 CFEB CC(=O)Oc1c(Br)cc(Cl)cc1C#N 20157650 NJPKNVZXOMDRGS-UHFFFAOYSA-N 274.501 2.899 30 40 CFEB O=C1C=Cc2ccccc2/C1=N\Nc1ccc2c(c1)OCO2 100436368 YDDCNLYXHUUQTE-HTXNQAPBSA-N 292.294 2.827 30 40 CFEB O=C1C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H]1O 1870555 MLZONHYJHOUBOQ-DLBZAZTESA-N 250.297 2.797 30 40 CFEB COC(=O)c1ccccc1C(=O)[C@H](c1ccccc1)[N+](=O)[O-] 3130453 QRNXWMIKYCRKRD-AWEZNQCLSA-N 299.282 2.674 30 40 CFEB biogenic N#Cc1ccc(NCCc2cnn(-c3ccccc3)c2)nc1 55357210 URDPBMJGYFTUCL-UHFFFAOYSA-N 289.342 2.794 30 40 CFEB N#Cc1ccc(NC(=O)NCc2cn3ccccc3n2)cc1 45027360 DGJZPWBNZVVYET-UHFFFAOYSA-N 291.314 2.528 30 40 CFEB CCCC(=O)NC1CCN(c2cccc(F)c2C#N)CC1 48302068 KGMWTDKQNZHADT-UHFFFAOYSA-N 289.354 2.582 30 40 CFEB N#CC1(C(=O)N2CCC[C@H](c3nccs3)C2)CCCC1 67046937 ZHDRJUIJRNPGRJ-LBPRGKRZSA-N 289.404 2.933 30 40 CFEB CC(=O)O[C@@H]1C[C@@H]2O[C@H]3C=C(C)CC[C@@]3(C)[C@@]1(C)[C@]21CO1 33897407 HNEGCRMUYSKRRR-NEXGVSGLSA-N 292.375 2.611 30 40 CFEB C[C@H](CNC(=O)C1(C#N)CCC1)Oc1ccc(Cl)cc1 81349186 BKQCUXYCJJETCR-LLVKDONJSA-N 292.766 2.917 30 40 CFEB C#Cc1cccc(NC(=O)N(C)Cc2c(C)noc2C)c1 43982322 CCKAKQXCDJKSSB-UHFFFAOYSA-N 283.331 2.937 30 40 CFEB Cc1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2s1 196997080 UOAHKOCHQFHGEC-UHFFFAOYSA-N 275.182 2.904 30 40 CFEB Cc1cc(N(C)C(=O)c2cccc(CC#N)c2)ccn1 96006614 PXEUFPPKFOLZLV-UHFFFAOYSA-N 265.316 2.733 30 40 CFEB C=CC(=O)O[C@@](C#N)(C(F)(F)Cl)C(F)(Cl)Cl 169797752 UWUDPZLUUWIARW-RXMQYKEDSA-N 296.459 2.910 30 40 CFEB CCOC(=O)/C(C#N)=N\Nc1cccc(Cl)c1Cl 17004736 PGIMPLVWZGUBOQ-SXGWCWSVSA-N 286.118 2.848 30 40 CFEB N#C[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O 408431 JPISUJFDUFVJAO-LBPRGKRZSA-N 261.284 2.579 30 40 CFEB CCOC(=O)[C@H](C)Sc1nc(CC)c(C)cc1C#N 49857 NEUQAYJEUFZVQY-JTQLQIEISA-N 278.377 2.868 30 40 CFEB CCCCCCCCCS(=O)(=O)CCC(=O)O 1628224 KLZBEVYEDWBVQR-UHFFFAOYSA-N 264.387 2.627 30 40 CFEB C=C(C)CNC(=S)NC1C2CC3CC(C2)CC1C3 7987784 XWHAONLFVNHPGS-UHFFFAOYSA-N 264.438 2.851 30 40 CFEB N#Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 3288856 KQCLZBCPVMJSNR-UHFFFAOYSA-N 282.255 2.823 30 40 CFEB C/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1 12480822 IXGCXXNUEKKSIG-GXDHUFHOSA-N 267.350 2.601 30 40 CFEB in-vitro C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl 42220672 JHPOMPDJWLXTEN-GHMZBOCLSA-N 266.772 2.681 30 40 CFEB C#CC[C@H](C(=O)c1ccccc1)C(=O)C(C)(C)OC 104103499 FHRDNFZLGWUZEI-CYBMUJFWSA-N 258.317 2.503 30 40 CFEB Nc1ccn(CC(F)(F)C(F)(F)C(F)(F)C(F)F)n1 103711418 PEFXLCZTMVEXRD-UHFFFAOYSA-N 297.149 2.636 30 40 CFEB N#CCN(C(=O)[C@H]1CCCc2ccccc21)C1CC1 58282909 SNUPFTYMRHOCDE-HNNXBMFYSA-N 254.333 2.621 30 40 CFEB CC(=O)c1ccccc1NC(=O)COc1ccccc1C#N 3445265 LVOUPIRDASWDTM-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB CCc1ccccc1C(=O)OCC1(C#N)CCOCC1 96003068 YXNZRDUFQHCUJC-UHFFFAOYSA-N 273.332 2.726 30 40 CFEB C=C(Cl)CSc1nc(N)nc(-c2ccco2)n1 6603979 IICMGHFZILFELD-UHFFFAOYSA-N 268.729 2.558 30 40 CFEB CCc1ccccc1NS(=O)(=O)c1ccccc1C#N 16095617 HWWADEJJDBSWLL-UHFFFAOYSA-N 286.356 2.921 30 40 CFEB N#Cc1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 8724069 WGWBMZRUVLQFFF-OAHLLOKOSA-N 292.294 2.799 30 40 CFEB N#Cc1cc(N2CCC[C@H](c3cn[nH]c3)C2)ccc1[N+](=O)[O-] 97379588 DGRCSIMCQRFSJX-NSHDSACASA-N 297.318 2.574 30 40 CFEB O=C(O)[C@@H](S)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 71621513 BNGYPNUJCOTCGM-ZETCQYMHSA-N 281.211 2.669 30 40 CFEB C=C(C)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 48366624 JTSOIENICMCGJS-LBPRGKRZSA-N 267.394 2.659 30 40 CFEB C[C@H](OC(=O)c1ccc(-n2ccnc2)cc1)C(C)(C)C#N 97231069 RFZCCOZSFAWJRR-LBPRGKRZSA-N 283.331 2.967 30 40 CFEB CCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 71920934 DRKLZNFZGRVSNN-HNNXBMFYSA-N 251.418 2.732 30 40 CFEB N#C[C@]1(C=O)c2ccccc2C=CN1C(=O)c1ccccc1 5722974 YPVAZGJPRBAURR-SFHVURJKSA-N 288.306 2.731 30 40 CFEB CCc1nc(N)nc(N)c1-c1ccc(N(C)C)c(N=[N+]=[N-])c1 16942585 OPPKEEZWMOUGCF-UHFFFAOYSA-N 298.354 2.878 30 40 CFEB CN1C(=O)c2ccccc2N[C@@H]1c1cccc(C#N)c1 11035793 ZZHNWQLAFZTKPT-HNNXBMFYSA-N 263.300 2.755 30 40 CFEB CCCC/N=C(/NCCc1cccs1)NC1CC1 72271925 UPKVFDVJFFKTBZ-UHFFFAOYSA-N 265.426 2.788 30 40 CFEB Cn1cc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cn1 58179739 WRSXJYZIQOUWHL-BQYQJAHWSA-N 292.342 2.561 30 40 CFEB COC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2)o1 3351515 HRLJNKRPTGOYGT-CXUHLZMHSA-N 289.287 2.626 30 40 CFEB Cc1ccc(C)c(NCC(=O)N[C@](C)(C#N)C(C)C)c1 36874884 ROYRXDASRDMHMN-MRXNPFEDSA-N 273.380 2.770 30 40 CFEB COc1ccc(C(=O)O/N=C/c2ccc(N(C)C)cc2)cc1 2534559 VCLXMUQUAZYEDN-LDADJPATSA-N 298.342 2.952 30 40 CFEB C[C@@H](C#N)Sc1nnc(-c2ccccc2F)n1C 4947160 LIRRRGXZEMBPMU-QMMMGPOBSA-N 262.313 2.625 30 40 CFEB C[C@@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccc1C#N 7937957 XOUJTODXFNBRCQ-CHWSQXEVSA-N 298.342 2.785 30 40 CFEB CC(C)N(CCC#N)C(=O)c1cc(Cl)c2c(c1)OCO2 69587894 KLLIAPOREQJCGJ-UHFFFAOYSA-N 294.738 2.833 30 40 CFEB C#CCOc1ccc([C@@H](C)NCCc2ccccn2)cc1 89904849 OLOHCWFYCGNTLJ-OAHLLOKOSA-N 280.371 2.987 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(F)cc1 409099674 SRDIMQNWWJKSCA-OVCLIPMQSA-N 260.228 2.575 30 40 CFEB COc1ccc2c(c1)N[C@]1(C=C(C)OC(C)=C1C(C)=O)O2 40545405 PDLYIJWMLCXLAZ-MRXNPFEDSA-N 287.315 2.993 30 40 CFEB N#CCc1ccc(NC(=O)COc2ccccc2)cc1 15028863 XOHYKRBASJCBKB-UHFFFAOYSA-N 266.300 2.770 30 40 CFEB C=CCCS(=O)(=O)N1C[C@H](C)c2ccccc21 79108032 RKPZQOYUMWLNIY-NSHDSACASA-N 251.351 2.516 30 40 CFEB CCC(CC)(CO)Nc1ncc(C#N)cc1Cl 96447884 YODSTSBYNNDUQM-UHFFFAOYSA-N 253.733 2.570 30 40 CFEB CCO/C=N\c1c(C#N)c(CC#N)nn1-c1ccccc1 13144539 IKAUHHFTILTBJG-WQRHYEAKSA-N 279.303 2.506 30 40 CFEB Oc1ccc2ccccc2c1/C=N/N=C1/CCCN1 3195547 VWMDJYBHYMNBJE-LICLKQGHSA-N 253.305 2.661 30 40 CFEB N#Cc1ccc(CCC(=O)Oc2ccc3c(c2)OCO3)cc1 10406366 VYWVOKUPHGZUIW-UHFFFAOYSA-N 295.294 2.825 30 40 CFEB N#Cc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)O)CC2)c1 100449859 RWENHPGTHKRHSD-HAQNSBGRSA-N 257.289 2.632 30 40 CFEB N#CCSCC(=O)N1CCC[C@@H]1c1ccsc1 46915174 YWXUMAAROMSPBI-LLVKDONJSA-N 266.391 2.668 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 78524690 FNVLLRHMPFBESN-LLVKDONJSA-N 284.281 2.786 30 40 CFEB O=C1C2=C(c3ccccc31)[N+](=O)[C@@H]1CCCCC[C@H]1N2O 6231050 QCWXTHIBXDIRIR-CHWSQXEVSA-N 285.323 2.737 30 40 CFEB CCOC(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F 100933179 MTHZMPNHGWYWJT-ARJAWSKDSA-N 284.127 2.824 30 40 CFEB O=C(/C=C/NCc1ccc2c(c1)OCO2)c1ccccc1 109408978 ABOJWHXYBRTNMZ-CMDGGOBGSA-N 281.311 2.902 30 40 CFEB CN(C)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1cccs1 27317436 FNFNLZKCQKMVTR-AWEZNQCLSA-N 299.399 2.652 30 40 CFEB N#Cc1cc2c(-c3ccccc3)c(N)n(O)c2cc1C#N 36559169 SACVCAYEWPWBRE-UHFFFAOYSA-N 274.283 2.871 30 40 CFEB COc1ccc(/C=C/C(=O)c2cc3c(cc2N)OCO3)cc1 3904089 GFHWGLZCBJSBAL-QPJJXVBHSA-N 297.310 2.902 30 40 CFEB biogenic COc1ccc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)cc1O 71279936 VOMXGXHEUIXYFT-XWAFYUISSA-N 296.326 2.708 30 40 CFEB C=CCOc1ccc(CNC(C)(C)CO)cc1OCC 4670799 IEQMTOMXOQKZQO-UHFFFAOYSA-N 279.380 2.511 30 40 CFEB Fc1ccc(NC(=S)N/N=C/c2ccco2)c(F)c1 17008477 OBYZUJQJCXVVNP-VIZOYTHASA-N 281.287 2.878 30 40 CFEB C=CCc1cc(C(=O)NCCCOCC)ccc1OC 408703378 QNUFINNQFBTYNO-UHFFFAOYSA-N 277.364 2.580 30 40 CFEB CCNC(=S)N/N=C/c1ccc(OC)c2ccccc12 409373040 PVSNRWHICBBANQ-LICLKQGHSA-N 287.388 2.666 30 40 CFEB C=CCN1CCC(NC(=O)NCC(C)(C)C(C)C)CC1 195572562 NQVDYEIDOYERQD-UHFFFAOYSA-N 281.444 2.618 30 40 CFEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)NO)o1 226290464 WLWYAMSVMKUWAY-FNORWQNLSA-N 288.259 2.682 30 40 CFEB CN(C)/C=C/C(=O)c1cccc(OC(F)(F)F)c1 98211062 MLYHTTMXNXRTCX-VOTSOKGWSA-N 259.227 2.843 30 40 CFEB CCOc1ccc(C(=O)N[C@H](C)CC#N)cc1OCC 50336518 FVZOHFQMVNZPOB-LLVKDONJSA-N 276.336 2.516 30 40 CFEB N#Cc1cnc(N[C@H]2CCCC[C@@H]2CO)c(Cl)c1 96418716 REOOCEQQGKYCFC-PWSUYJOCSA-N 265.744 2.570 30 40 CFEB C=CCN(Cc1cn2ccccc2n1)CC(F)(F)F 96405733 PREHPXPOQVKVMC-UHFFFAOYSA-N 269.270 2.885 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\N=C\c2ccccc2O)c1 5030485 DYEDOYDKMXCULY-CKOAPEAFSA-N 269.260 2.753 30 40 CFEB CSc1ncc(C#N)c(=N)n1-c1ccc(Cl)cc1 5611942 QQKAJSFBIYDUTR-UHFFFAOYSA-N 276.752 2.599 30 40 CFEB O=C(/C=C\c1ccco1)c1ccc(O)c(C(=O)O)c1 5574998 MRLBBQHEODASGQ-XQRVVYSFSA-N 258.229 2.580 30 40 CFEB N#CC1(NC(=O)COc2cccc(Cl)c2)CCCC1 4960550 AJTNQZBQROZILX-UHFFFAOYSA-N 278.739 2.671 30 40 CFEB N#Cc1ccc(Cl)cc1NCc1ccc(C(N)=O)cc1 37277970 GGZCYXHGSJQNBN-UHFFFAOYSA-N 285.734 2.923 30 40 CFEB N=C1C2(CCCCC2)C(=O)N(O)C12CCCCC2 1709029 FOZLDVBHOULUNQ-UHFFFAOYSA-N 250.342 2.891 30 40 CFEB CCCCCCCCOC(=O)C[C@H]1CCS(=O)(=O)C1 100747781 UECBWHPSJRTKMG-CYBMUJFWSA-N 290.425 2.715 30 40 CFEB Cc1nnc(NCc2ccc(N(C)C)c(F)c2)c(C#N)c1C 58545454 OFJFOXUMEAWZQA-UHFFFAOYSA-N 299.353 2.782 30 40 CFEB C=C(C)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238200 ZVCPILBBKZDDQV-UHFFFAOYSA-N 283.356 2.977 30 40 CFEB C=CCNC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C 69202012 KYRGGGDVOJTFAO-LBPRGKRZSA-N 289.379 2.831 30 40 CFEB Cc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1 8549907 GGJICRARNFIIQK-MKMNVTDBSA-N 268.292 2.695 30 40 CFEB CC(C)c1nc([C@@H]2CCCN(c3ncccc3C#N)C2)no1 72279251 KGFBFHISSPWHCG-CYBMUJFWSA-N 297.362 2.844 30 40 CFEB Cc1noc(-c2ccnc(NCc3ccc(C#N)cc3)c2)n1 89721333 GXVIUISWUDZXOL-UHFFFAOYSA-N 291.314 2.924 30 40 CFEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3ccccc32)c1 39853884 RZDMORLERWCWOT-VLGSPTGOSA-N 296.326 2.599 30 40 CFEB C=C(C)[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 55231618 ABKDBHRAGTZDQX-QZTJIDSGSA-N 284.403 2.939 30 40 CFEB biogenic Cc1nc(C)n(Cc2ccccc2C(C)(C)C#N)n1 89718029 WTCICXODBLORCA-UHFFFAOYSA-N 254.337 2.744 30 40 CFEB C=CCc1c(C(=O)OC)ccc(Br)c1O 98095592 ZMUGKMBBGAFSAJ-UHFFFAOYSA-N 271.110 2.670 30 40 CFEB CCOc1ccccc1CNC(=O)C1(C#N)CCCC1 48942694 ZXSUBOBIYHCWOD-UHFFFAOYSA-N 272.348 2.785 30 40 CFEB C=C(C)CNC(=O)Nc1cc(OC)ccc1OC(F)F 156510156 JIGABKYZEIYNNA-UHFFFAOYSA-N 286.278 2.994 30 40 CFEB C=CCc1ccccc1OC/C(CNC(C)C)=N/O 3914852 XFQFSSGNEFUEPA-SAPNQHFASA-N 262.353 2.622 30 40 CFEB in-man CCc1noc(C)c1C(=O)OCc1ccc(C#N)cc1 5166562 YTXHKIHTFATPEG-UHFFFAOYSA-N 270.288 2.774 30 40 CFEB CCC(Nc1ccccc1OC)=C1C(=O)CCC1=O 546953 OQNCDVCIOKJHMI-UHFFFAOYSA-N 259.305 2.703 30 40 CFEB N#C[C@@H]1CCCC[C@@H]1OC(=O)CCc1nc(C2CC2)no1 76090713 VCLFECHVMIDRJY-RYUDHWBXSA-N 289.335 2.505 30 40 CFEB CCCCCCCCN(C)/N=N\c1nc[nH]c1C(N)=O 104168471 VHSAFEZJKWLKBX-ZCXUNETKSA-N 280.376 2.800 30 40 CFEB C#CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 12523061 YENLRBXFOMSJFU-UHFFFAOYSA-N 287.322 2.660 30 40 CFEB CC(=O)COc1nc(-c2ccccc2)cc(C)c1C#N 1016627 GUPYAPONSROXNW-UHFFFAOYSA-N 266.300 2.897 30 40 CFEB CCN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 58055766 KPKPHFVJODZKSK-LBPRGKRZSA-N 288.351 2.610 30 40 CFEB C[C@@](C#N)(NC(=O)CNc1cccc(Cl)c1)C1CC1 36874896 ILEYDVDLRADLAV-AWEZNQCLSA-N 277.755 2.560 30 40 CFEB Cc1ccc(C(C)C)cc1O[C@@H](C)/C(O)=N/S(C)(=O)=O 48486749 OXTVJEJLLQWHEG-NSHDSACASA-N 299.392 2.802 30 40 CFEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)[nH]1 12913699 JRXTVGVCQARQBW-UHFFFAOYSA-N 254.289 2.765 30 40 CFEB CCOC(=O)c1cccc(-n2c(C)cc(C)c(C#N)c2=O)c1 8991596 GXSOYQFEBXDXAO-UHFFFAOYSA-N 296.326 2.503 30 40 CFEB CC/N=C(/S)Nc1ccc(Cl)c([N+](=O)[O-])c1 13684954 WXGHIXWJWFLFKT-UHFFFAOYSA-N 259.718 2.966 30 40 CFEB CC[C@](C)(C#N)NC(=O)/C=C(\C)c1ccccc1OC 96257472 WWBVIUFWABWUJC-YBHKSSGVSA-N 272.348 2.907 30 40 CFEB CC[C@@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl 69558358 UQYINGQQBHEDMR-ZJUUUORDSA-N 266.728 2.526 30 40 CFEB CN(CC[S@@](=O)c1ccccc1)Cc1ccc(C#N)cc1 69869623 CNAHLUPROIDEFL-NRFANRHFSA-N 298.411 2.798 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 96306180 AXBKZHIACBIGID-QLDGQODYSA-N 273.405 2.673 30 40 CFEB C[C@H]1CN(Cc2cc(C#N)cs2)C[C@H](C)S1 92541288 PBQCELKUXAOZFI-UWVGGRQHSA-N 252.408 2.946 30 40 CFEB Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cn1)CO2 95418488 WZAUTJSLNITBGE-CYBMUJFWSA-N 251.289 2.807 30 40 CFEB Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CC#N)C(C)C 89689232 ITZKFJKMBBZWTC-HUUCEWRRSA-N 256.349 2.859 30 40 CFEB CC1=C/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC1=O 5232096 PUBHKJWFGFNWBW-DTQAZKPQSA-N 284.271 2.651 30 40 CFEB C=CCNC(=S)Nc1sc(CC)cc1C(=O)OCC 3110652 UGNLKJVCGSVLHF-UHFFFAOYSA-N 298.433 2.960 30 40 CFEB CC(=O)[C@@H]1N=Nc2c(C#N)c(-c3ccccc3)nn21 6022645 JMEKOYFEKKTHNM-GFCCVEGCSA-N 251.249 2.607 30 40 CFEB CC[C@@H](c1nnc(Sc2ncccc2C#N)o1)N(C)C 12521819 FIRHWLCDUJWJFH-JTQLQIEISA-N 289.364 2.500 30 40 CFEB Cc1ccc2c(c1)c1c(n2CCC#N)CC[N+](C)(C)C1 1826987 ASWXXBWNVKESSV-UHFFFAOYSA-N 268.384 2.996 30 40 CFEB biogenic CC1(C)CC(=O)C(=CNc2cccc([N+](=O)[O-])c2)C(=O)C1 100025551 VDVQIDIPGIPJNY-UHFFFAOYSA-N 288.303 2.849 30 40 CFEB CC1(C)[C@H]2C[C@@H]3C(=CC[C@@H]4C(=O)C=CC(=O)[C@@H]43)[C@H]1C2 100355863 LMMRHMDTCZGYNN-LDNBHRILSA-N 256.345 2.939 30 40 CFEB CC(Nc1nc(C)cc(C)n1)=C1C(=O)c2ccccc2C1=O 2549960 QZELBYWEIYRUPS-UHFFFAOYSA-N 293.326 2.859 30 40 CFEB CSc1ccc(Cn2nc(C)c(C)c(C#N)c2=O)cc1 12815023 UYDOUCHQANNEGW-UHFFFAOYSA-N 285.372 2.502 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 3445415 MJNNXNYGJZKXEO-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2c(c1)OCO2 3568468 VJYXYFLGNOHHHO-UHFFFAOYSA-N 284.227 2.987 30 40 CFEB N#Cc1ccccc1NC(=O)NCCCOCc1ccco1 65609241 VRHPVCXGFRTVSS-UHFFFAOYSA-N 299.330 2.880 30 40 CFEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(C)c1O 7781979 GPXTTWYHNKYLSP-GIJQJNRQSA-N 294.310 2.639 30 40 CFEB Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C#N 7711043 RWQXVNROKUCFGJ-SECBINFHSA-N 254.289 2.921 30 40 CFEB N#Cc1ccc(NCCCCc2nccs2)nc1 95396568 VSTXJLDGQXJPAD-UHFFFAOYSA-N 258.350 2.845 30 40 CFEB CC(C)n1ncc2c1NC(=O)[C@@H](C#N)C21CCCCC1 9953698 FEJMLEUWQINHFV-LLVKDONJSA-N 272.352 2.758 30 40 CFEB Cc1c(I)cnc(Cl)c1C#N 75629383 CRMWYGBBZGPZMZ-UHFFFAOYSA-N 278.480 2.520 30 40 CFEB in-vitro C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 12489730 OASDVQSPONGSRY-JJRVBVJISA-N 271.360 2.576 30 40 CFEB CC[C@@H]1S/C(=N\c2cccc(Cl)c2)NC1=O 8337251 ZXELOWXLULNKIB-VIFPVBQESA-N 254.742 2.969 30 40 CFEB N#Cc1ccc(NC(=O)CN2CCCCC2)cc1Cl 3429826 DGQMQSIYQAJPLZ-UHFFFAOYSA-N 277.755 2.636 30 40 CFEB Cc1ccccc1CNC(=O)c1cccc(C#N)c1 5089789 FKFYJQDPAFAMBE-UHFFFAOYSA-N 250.301 2.797 30 40 CFEB N#Cc1cc(Cl)c(NC[C@@H]2CCCO2)cc1C#N 482259 RZGSRPMVFVBJNX-NSHDSACASA-N 261.712 2.674 30 40 CFEB N#Cc1cccnc1Oc1ccc(-c2nnco2)cc1 22801853 MLASNONDGOLEQS-UHFFFAOYSA-N 264.244 2.796 30 40 CFEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)NC1CCCCC1 50400383 SRIKYWMJLNLVAH-CDKJVOIVSA-N 290.329 2.999 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 107149862 PPDBREBDWOXFPH-XJKCOSOUSA-N 299.374 2.886 30 40 CFEB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cccc(C#N)c1 10223927 XIAFTFOJULBDQI-BQYQJAHWSA-N 280.331 2.561 30 40 CFEB C[C@@H](SCc1ccccc1)C(=O)N(CC#N)C1CC1 58342242 QJZLADDLJWIXBD-GFCCVEGCSA-N 274.389 2.823 30 40 CFEB Cc1cc([C@H](C#N)C(=O)C[C@H](C)C2CC2)nc(C)n1 64670499 CEGHOXJNTBRIQM-ZANVPECISA-N 257.337 2.706 30 40 CFEB O=C(/N=C1/NCCS1)[C@H]1CCCC[C@H]1C(F)(F)F 71800139 BANJZMBYTJTIOT-JGVFFNPUSA-N 280.315 2.574 30 40 CFEB C=CCSCC(=O)OCc1cccc2cn[nH]c12 75146092 NYCCDJXAMRQWSS-UHFFFAOYSA-N 262.334 2.525 30 40 CFEB Fc1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1 409009748 BSOBGCKQZSIULJ-REZTVBANSA-N 256.240 2.559 30 40 CFEB Cc1ccc(Cn2nc(C3CC3)c(C#N)c2N)cc1 225845717 FXDLRVQDGFNYGU-UHFFFAOYSA-N 252.321 2.571 30 40 CFEB O=C(NO)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226290578 HRGVSQYHNODMLT-UHFFFAOYSA-N 282.639 2.627 30 40 CFEB CCCCCCCNC(=O)CCC(=O)Nc1cccnc1 98044715 MWJPEYRLKZAEMR-UHFFFAOYSA-N 291.395 2.887 30 40 CFEB Cc1nc(/N=C(\O)[C@H]2CSc3ccccc32)n(C)n1 97374247 CTZGVEFRPCRKPQ-JTQLQIEISA-N 274.349 2.601 30 40 CFEB C=CCCC(=O)NC[C@](O)(c1ccsc1)c1ccco1 820450778 ZXGBKXKCUKGRFK-HNNXBMFYSA-N 291.372 2.659 30 40 CFEB N#Cc1cc(N2CC[C@]3(CCOC3)C2)nc2ccccc12 89866659 FAUHTTPFJXXWFD-KRWDZBQOSA-N 279.343 2.723 30 40 CFEB CC[C@@H](C)[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 230830810 CSJUWSSZOMBNNX-CSPKTOEMSA-N 265.206 2.627 30 40 CFEB Cc1cccc2c1NC(=O)/C2=N\Nc1ccccc1[N+](=O)[O-] 17430748 KMAJKSOPYAEECH-UHFFFAOYSA-N 296.286 2.672 30 40 CFEB C=C(c1cnc(NC[C@@H]2CCCO2)nc1)C(F)(F)F 2086816549 OMHZIFOHRGNIDV-JTQLQIEISA-N 273.258 2.643 30 40 CFEB N#Cc1cc(Br)cnc1N1CCC(F)(F)C1 313299651 SVZSFFNHQSPOEG-UHFFFAOYSA-N 288.095 2.561 30 40 CFEB CC(=O)C1=C(NC(=O)Cc2ccccc2)C[C@H]2[C@H]1C2(C)C 100740801 YHJWXXURBVCFHD-SUMWQHHRSA-N 283.371 2.864 30 40 CFEB biogenic N#Cc1ccc(NCCNc2nc3ccccc3o2)nc1 32923419 AQGLHQZDJCQNEY-UHFFFAOYSA-N 279.303 2.618 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/n2cnc3ccccc32)s1 531123 REXSYOASIGFOSW-VGOFMYFVSA-N 272.289 2.888 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@H](C)Oc1ccc(SC)cc1 76985313 HUINMVCWFQSIPG-NWDGAFQWSA-N 292.404 2.984 30 40 CFEB CC(C)(C)N1C(=O)[C@@](Cl)(C#N)[C@H]1c1ccccc1 1588409 IUUXVIAQAHVDPJ-BXUZGUMPSA-N 262.740 2.870 30 40 CFEB O=C(O/N=C1/CCCCCN1)c1c(F)cccc1F 3242143 WWQTZERXDLRFQX-UHFFFAOYSA-N 268.263 2.599 30 40 CFEB C#CCOc1ccc(N(C)C(=O)Cc2cccs2)cc1 83869389 WTXDTTRITVLWBE-UHFFFAOYSA-N 285.368 2.966 30 40 CFEB CCc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 100926753 MESUTBAQGFASFK-GZTJUZNOSA-N 288.372 2.647 30 40 CFEB CN(CC(=O)N1CCc2ccccc21)c1cccc(C#N)c1 58135236 PTIBLPKTYQAWJA-UHFFFAOYSA-N 291.354 2.584 30 40 CFEB O=C1C=CC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC=CC3 104290088 JXEJUTYOEIZHKE-QKZKPRJSSA-N 264.324 2.635 30 40 CFEB C#CCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 408917963 DEPWENFRMXDARB-NTEUORMPSA-N 296.351 2.848 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc3nccnc3c2)cc1 5421366 HGYBXVJCOBZPML-UHFFFAOYSA-N 289.294 2.858 30 40 CFEB COc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 4897711 ZVIPOLLPCYKOQU-OQLLNIDSSA-N 256.309 2.548 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCCOc2ccccc2C#N)c1 69508158 JXGQPGCFXIDCNI-HUUCEWRRSA-N 298.390 2.681 30 40 CFEB CN1C(=S)S[C@H](/[N+]([O-])=C\c2cccs2)C1(C)C 31969686 QCHDYQYYORDDSL-PBJWJZLWSA-N 286.447 2.746 30 40 CFEB N#Cc1ccc(Oc2nnc(Br)s2)cc1 72119995 AUPNVWLXHTULJZ-UHFFFAOYSA-N 282.122 2.965 30 40 CFEB C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CC#N 132722491 CCZGFTSLIKLDDJ-LBPRGKRZSA-N 274.364 2.781 30 40 CFEB C=CCn1nc(OCc2ccc(C)cc2C)c(C#N)c1N 225837358 PQOZDZXMHXMMGS-UHFFFAOYSA-N 282.347 2.719 30 40 CFEB CCOC1=C/C(=C/C=C2C=CN(C)C=C2)C=CC1=O 334139378 HDYYSPVTHDNBQP-LHHJGKSTSA-N 255.317 2.871 30 40 CFEB CC(C)Cc1n[nH]c2c1C(=O)C(Nc1ccccc1)=CC2=O 5385670 AHQCCXHVGCJKGM-UHFFFAOYSA-N 295.342 2.983 30 40 CFEB COc1cccc(/C(N)=N/OC(=O)c2cc(C)ccc2C)c1 12655404 SYZGBNKJEZARBM-UHFFFAOYSA-N 298.342 2.789 30 40 CFEB COC1=C(C(C)(C)C)C(=O)C(O)=C(C(C)(C)C)C1=O 492415 AYICBCLLPISQIE-UHFFFAOYSA-N 266.337 2.943 30 40 CFEB O=C1C=C([C@@H](O)Cc2ccccc2)C(=O)c2ccccc21 1689350 VGJVLFZDHPYDLO-INIZCTEOSA-N 278.307 2.596 30 40 CFEB CCCCSc1nc(N)nc(SC)c1C#N 3160752 FYNIXKFVHUJMNR-UHFFFAOYSA-N 254.384 2.545 30 40 CFEB Cc1nnc(N(C)Cc2ccsc2)c(C#N)c1C 24054605 SNKSXDQOHTYEPD-UHFFFAOYSA-N 258.350 2.663 30 40 CFEB C#CCN1C(=O)S/C(=C\c2cc(Cl)ccc2O)C1=O 1413688 MMAGDEHNROSVAW-XFFZJAGNSA-N 293.731 2.715 30 40 CFEB Cc1cccc(/C=N/n2c(C)nc3ccccc3c2=O)c1 3347106 UWEUXMNJSWLYRY-WOJGMQOQSA-N 277.327 2.896 30 40 CFEB C=CCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 12941507 YJHHSWOSJJNXNP-UHFFFAOYSA-N 273.311 2.544 30 40 CFEB C=C(Br)COc1ccc(Cl)cc1C(N)=O 48834194 ZFGBRBQUCIRKNE-UHFFFAOYSA-N 290.544 2.726 30 40 CFEB N#Cc1ccc(Sc2nnc(C3CC3)n2C2CC2)nc1 19846584 BESDHWLONQBLOO-UHFFFAOYSA-N 283.360 2.908 30 40 CFEB C=CCSc1ccccc1C(=O)NC1CCN(C)CC1 219820752 BIJLTORNIBWQNM-UHFFFAOYSA-N 290.432 2.789 30 40 CFEB C#CCN1C(=O)[C@@H](Nc2ccccc2)c2ccccc21 34925422 SHGGSJLRVGBCRV-INIZCTEOSA-N 262.312 2.820 30 40 CFEB Cc1cc(C)cc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])c1 225242713 BQFBXITYTDKVBC-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB C[C@H]1S/C(=N/C=N/c2ccccc2OC(F)F)NC1=O 226820359 IFRQZFORNICEIF-SSDOTTSWSA-N 299.302 2.555 30 40 CFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1ccc(Br)cc1 85658041 OICRRMZBDWQUHS-NWDGAFQWSA-N 285.137 2.626 30 40 CFEB CCOC(/C=C\B1OC(C)(C)C(C)(C)O1)OCC 195994493 ZXGPKUGXWIEUJA-KTKRTIGZSA-N 256.151 2.573 30 40 CFEB N#Cc1ccccc1SCC(=O)NCC1CCC1 96436666 OMCRMRFFSKYIEI-UHFFFAOYSA-N 260.362 2.567 30 40 CFEB CCN(CC)c1nn(-c2ccc(C)c(C)c2)nc1C#N 256046696 HNTLJGFHGIJBGD-UHFFFAOYSA-N 269.352 2.602 30 40 CFEB CCn1cc(C#N)c(=O)c2cc(F)c(N3CCCC3)cc21 85346142 SQHWWCMOVOJZNA-UHFFFAOYSA-N 285.322 2.632 30 40 CFEB Cc1cc(C#N)nc(N[C@H]2CCCc3c(O)cccc32)n1 1548397584 NHLBPDYECGYJGP-AWEZNQCLSA-N 280.331 2.852 30 40 CFEB O=C1N/C(=N/N=C/c2ccco2)S[C@H]1c1ccccc1 4031706 AJSTWFHGCRTEHS-DGGAMASNSA-N 285.328 2.574 30 40 CFEB C=CCn1ncc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1C 19554443 UGDBCOZNPYYOPH-IAGOWNOFSA-N 289.423 2.505 30 40 CFEB Cc1cc(N/C=C(\Br)C(=O)C(F)(F)F)no1 101051168 OJOQJBYPPOTNLY-HYXAFXHYSA-N 299.046 2.763 30 40 CFEB C#CCOc1ccc(NC(=O)CCCn2ccnc2C)cc1 78712944 CBCQIAXGZAGKAF-UHFFFAOYSA-N 297.358 2.622 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 3170783 NMPJMAWITDKNNJ-UHFFFAOYSA-N 271.341 2.777 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c[nH]1 58216660 ABKDTXQKPJYDEY-UHFFFAOYSA-N 294.354 2.801 30 40 CFEB C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58264071 BKOKFTLCVOIRJW-SECBINFHSA-N 298.795 2.631 30 40 CFEB N#CCSCC(=O)Nc1ccc(Cl)cc1F 44917069 OTWKCEQOGZPHNC-UHFFFAOYSA-N 258.705 2.674 30 40 CFEB C=C(Cl)CS(=O)(=O)Cc1nc2ccccc2nc1C 48333763 OKQLORAFDYLVNQ-UHFFFAOYSA-N 296.779 2.606 30 40 CFEB [O-]/[N+](=C\c1ccncc1)Cc1cccc(Br)c1 12956588 OJRLRGKKLGEYIG-SXGWCWSVSA-N 291.148 2.974 30 40 CFEB C#Cc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 12945172 DWYTZTQGLPHJOK-UHFFFAOYSA-N 281.311 2.937 30 40 CFEB O=S(=O)(/N=C1/CCCCCN1)c1ccc(Cl)cc1 13133382 GISGLOPBLIMSPO-UHFFFAOYSA-N 286.784 2.591 30 40 CFEB C[C@H](C#N)CN(C)Cc1nc2cc(Cl)ccc2n1C 49001404 GRGHRXXYWIXTPE-SNVBAGLBSA-N 276.771 2.818 30 40 CFEB COc1ccc2c(c1)CCc1sc(N)c(C#N)c1-2 16989604 DARFGQSXUDRHIP-UHFFFAOYSA-N 256.330 2.976 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccc2nccnc2c1 8504607 IIOGEOUKMFFEQY-UHFFFAOYSA-N 289.294 2.858 30 40 CFEB Cc1nc([C@@H]2CCCCCN2c2ccc(C#N)cn2)no1 95999767 STEWRWRDVITUAD-ZDUSSCGKSA-N 283.335 2.766 30 40 CFEB C/N=C(/NCCc1ccn(C(C)C)n1)NCCC(C)(C)C 95963026 BCMXEYMZWBHJMV-UHFFFAOYSA-N 293.459 2.608 30 40 CFEB C[C@@H](NCc1cccs1)C(=O)NC1(C#N)CCCCC1 89448623 WALRAUUUUXOSTA-GFCCVEGCSA-N 291.420 2.569 30 40 CFEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1C 408767198 JUYBTQVVIIGEPZ-LICLKQGHSA-N 270.332 2.959 30 40 CFEB COc1ccc(Cl)c(Cn2ccc(C)c(C#N)c2=O)c1 188181650 YIPTVUBAAJZZNM-UHFFFAOYSA-N 288.734 2.739 30 40 CFEB Cn1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(F)c21 206174290 WVYFHSHAEQDZEP-UHFFFAOYSA-N 275.132 2.617 30 40 CFEB CC(C)C/N=C(\S)N/N=C/C=C\c1ccc([N+](=O)[O-])o1 5452697 AJULFXWZGVZMBT-DUHPWUFJSA-N 296.352 2.718 30 40 CFEB C=CCn1c(C)cc(C(=O)CSc2nccn2C)c1C 40013435 LIPLWJGCZAKLBE-UHFFFAOYSA-N 289.404 2.999 30 40 CFEB COc1ccc(C(=O)/C(C=O)=N/Nc2ccccc2)cc1 100338308 QVJOCFCLSXUXIR-OBGWFSINSA-N 282.299 2.545 30 40 CFEB N#C[C@@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 20365311 IKAJGOMEIIUHAG-LBPRGKRZSA-N 270.254 2.602 30 40 CFEB O=C1C(=Cc2ccc(O)cc2O)C(=O)c2ccccc21 492800 MBNGTAKPFWIGAD-UHFFFAOYSA-N 266.252 2.560 30 40 CFEB C[C@H]1c2cccn2CCN1CCOc1ccc(C#N)cc1 23706807 CILPHOQVIIQSDK-AWEZNQCLSA-N 281.359 2.815 30 40 CFEB CCONC(=O)c1cccc(OCc2ccccc2C#N)c1 55158363 ZUBVGJFVUCQNQM-UHFFFAOYSA-N 296.326 2.819 30 40 CFEB Cc1ccn2cc(CNc3nnc(C)c(C)c3C#N)nc2c1 58203475 OMJYXVIOJVVMLR-UHFFFAOYSA-N 292.346 2.533 30 40 CFEB CCOC(=O)[C@@H]1S/C(=N/c2ccccc2)N=C1C 104284475 XNVJJISCTSFQKL-QORHXFOUSA-N 262.334 2.814 30 40 CFEB O=C(O)c1ccccc1N/N=C/c1ccccc1F 11903687 SJTMJHRFFZUMFL-CXUHLZMHSA-N 258.252 2.970 30 40 CFEB N#CCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401124 NFSQRBHOFZUGNF-OAHLLOKOSA-N 278.783 2.999 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 7719466 GCBBKDLYBBUVEC-GOEBONIOSA-N 298.386 2.976 30 40 CFEB N#Cc1cccc(Cl)c1NCCCn1ccnc1 91424798 LMHILGADIHAWGF-UHFFFAOYSA-N 260.728 2.910 30 40 CFEB CC(C)CCN(CCC#N)Cc1ncc(Cl)n1C 72691599 FFBGOQTWAMIAEU-UHFFFAOYSA-N 268.792 2.835 30 40 CFEB COC(=O)[C@@H]1C(=O)C=C(Cl)C[C@@H]1c1ccccc1 64861147 JAFKKXXJMCCQRO-YPMHNXCESA-N 264.708 2.655 30 40 CFEB N#Cc1nccnc1NCCc1nc2ccccc2s1 74726885 DQSKDBMNPHSHEZ-UHFFFAOYSA-N 281.344 2.613 30 40 CFEB N#Cc1cc(Br)c(Br)o1 48106330 PLSKZCFDVYLXPQ-UHFFFAOYSA-N 250.877 2.676 30 40 CFEB Cc1nn(-c2nc3ccccc3s2)c(O)c1CC#N 14607818 FOLQYJDLUHYPGV-UHFFFAOYSA-N 270.317 2.562 30 40 CFEB N#Cc1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCC2 35709 LYQROMGTOFNHDC-NSHDSACASA-N 276.361 2.616 30 40 CFEB C/C(=N\n1c(C)nc2ccccc2c1=O)c1ccc(N)cc1 348743 VKVOINBQKRMQNT-RGVLZGJSSA-N 292.342 2.559 30 40 CFEB N#Cc1ncc(C(F)(F)F)cc1OCc1cccnc1 3047606 OGXJKYDDOOUGKY-UHFFFAOYSA-N 279.221 2.946 30 40 CFEB N#CCCN(CCC#N)C(=O)c1cc2c(s1)CCC2 57027387 YBWQIYOBILGCID-UHFFFAOYSA-N 273.361 2.506 30 40 CFEB CCc1cc(C(=O)OC/C(C)=N\O)c2ccccc2n1 104371965 MNZABTHQPFJURI-YVLHZVERSA-N 272.304 2.804 30 40 CFEB COc1ccccc1CN(CCCC#N)C[C@H]1CCCO1 45944883 HEVNCRGJHHNCRM-MRXNPFEDSA-N 288.391 2.980 30 40 CFEB N#Cc1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1 65587474 DJWYSDNNWBJSJB-QGZVFWFLSA-N 269.392 2.618 30 40 CFEB C=CCNC(=O)N1CCC(Nc2ccc(C)cc2)CC1 65593233 MLTMCPGOGPBPOZ-UHFFFAOYSA-N 273.380 2.767 30 40 CFEB CCOc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1 5949262 YHUXJDJAULNUTC-UHFFFAOYSA-N 268.316 2.725 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1cccnc1 96288913 GUIGFQUQYSEELR-MHWRWJLKSA-N 255.277 2.616 30 40 CFEB C=CCCN1c2ccccc2N(CCC=C)S1(=O)=O 71916024 IXRSTIWKGIGUCZ-UHFFFAOYSA-N 278.377 2.710 30 40 CFEB C=CCc1ccccc1OCc1cc(=O)n2oc(C)cc2n1 20332310 XEIULINUIGUVDJ-UHFFFAOYSA-N 296.326 2.903 30 40 CFEB CCN(CCC#N)C(=O)CN(C)c1cccc(SC)c1 79036776 JYKCAHHSJJOFJU-UHFFFAOYSA-N 291.420 2.607 30 40 CFEB C=CCn1c(N)nnc1SCCOC1CCCCCC1 77491129 UHQAWMYJZUHZDL-UHFFFAOYSA-N 296.440 2.878 30 40 CFEB CC1CCN(C(=O)[C@@H](C)Oc2cccc(C#N)c2)CC1 40460703 FFNXKIAQSDYLTP-CYBMUJFWSA-N 272.348 2.584 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2Cc1cc(C)c(C)o1 96041342 ZHRRZTWZVWQYMD-ULQDDVLXSA-N 291.391 2.831 30 40 CFEB Cc1cccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)c1C 256048147 RBIFCVQBEMPCSG-UHFFFAOYSA-N 295.390 2.992 30 40 CFEB O=C(/C=C1/CC(=O)N(c2ccccc2)C1=O)c1ccccc1 575422477 MXDOBCYVGIUBPN-KAMYIIQDSA-N 291.306 2.759 30 40 CFEB N#CCNC(=O)c1cccc(COc2cccc(F)c2)c1 79310111 XIMUKBZHRCFCRJ-UHFFFAOYSA-N 284.290 2.658 30 40 CFEB Cc1ccc(/C=N/NC(=S)NCc2ccco2)cc1 1462831 XCKWVFQBZRDATC-CXUHLZMHSA-N 273.361 2.586 30 40 CFEB C=CCNC(=O)Nc1ccc(N2CCSCC2)cc1C 51673606 GSQMCFPMVQKTQC-UHFFFAOYSA-N 291.420 2.856 30 40 CFEB N#Cc1ccc2ccn(CC(=O)NC3CCCC3)c2c1 382786 IAIQWLKDNLHAQB-UHFFFAOYSA-N 267.332 2.572 30 40 CFEB CCc1c(C)sc(NC(=O)C(F)(F)F)c1C#N 2765547 SBKYXYMYWLVPOK-UHFFFAOYSA-N 262.256 2.991 30 40 CFEB N#Cc1ccc(O[C@H]2CCCC[C@@H]2O)c(Cl)c1 42410904 VGBAQBOEHPPUEB-AAEUAGOBSA-N 251.713 2.894 30 40 CFEB N#Cc1ccccc1COn1nnc2ccc(Cl)cc21 7985495 RPTOJAGAZPAXNX-UHFFFAOYSA-N 284.706 2.585 30 40 CFEB CCc1nc(CCNC(=O)c2ccc(C#N)cc2)sc1C 71854141 GBJQGACTDWFTFU-UHFFFAOYSA-N 299.399 2.858 30 40 CFEB CC(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403249 QZADJELXQUZZJW-ICFOKQHNSA-N 280.283 2.632 30 40 CFEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N(C)Cc1nonc1C)C2 100229747 LZAKFPMRKUVBHJ-WBMJQRKESA-N 289.379 2.719 30 40 CFEB COC1=CC(=O)C([C@H](C)c2ccc(OC)cc2)=C/C1=N/O 104227080 MHOMMLPZUKOGQB-BXWLNTHASA-N 287.315 2.668 30 40 CFEB O=C(O)c1ccc(N/N=C/c2ccc3c(c2)OCCO3)cc1 5555650 LNTBBIDMQSIVJG-LICLKQGHSA-N 298.298 2.602 30 40 CFEB C[C@@]1(O)CCCN(c2ccc(Br)cc2C#N)C1 96008552 NOUAVKMEZBWBOU-CYBMUJFWSA-N 295.180 2.672 30 40 CFEB C[C@H](C#N)Sc1nc2ccccc2c(=O)n1C1CC1 7860903 LPSYQZXPYKWBSU-SECBINFHSA-N 271.345 2.736 30 40 CFEB CC(C)C[C@H](C#N)NC(=O)CCc1cc(F)ccc1F 69517315 GCWUNHAAMFFLGC-CYBMUJFWSA-N 280.318 2.952 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)c2cscc2C)c(C)o1 97035237 FIMLAANXVNTHKF-UHFFFAOYSA-N 299.373 2.960 30 40 CFEB C#Cc1cccc(NC(=O)N[C@H](CC)CN2CCCC2)c1 75107857 BTYJNYPINLLUKM-OAHLLOKOSA-N 285.391 2.664 30 40 CFEB N#Cc1cc(F)ccc1CS[C@H]1CCN(C2CC2)C1=O 89768450 XZLWSIBLUGLPRF-AWEZNQCLSA-N 290.363 2.694 30 40 CFEB COCc1cc(C)nc(N2CCC(C)CC2)c1C#N 33322360 VVEAOFYMNWMRPW-UHFFFAOYSA-N 259.353 2.644 30 40 CFEB N/C(=N\[N+](=O)[O-])NC1CCCCCCCCCCC1 31946980 JFRSPYIKKOMGCG-UHFFFAOYSA-N 270.377 2.756 30 40 CFEB C=CCNC(=S)Nc1ccc(Oc2ccccc2)nn1 225187046 KBXYRRWOGZSLND-UHFFFAOYSA-N 286.360 2.741 30 40 CFEB CSc1nc(N)c(C#N)c(Cc2ccc(Cl)cc2)n1 223667575 HLTXIKIWMMFOIB-UHFFFAOYSA-N 290.779 2.897 30 40 CFEB Cc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nc1 195829012 UDYSBTORYMXYEI-UHFFFAOYSA-N 296.179 2.751 30 40 CFEB COc1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c(F)c1 95096109 URNFQTIYNZFDTH-KWQFWETISA-N 280.217 2.853 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)c1cccc2ncccc12 97372403 GRINUSZTSJOIFX-SNVBAGLBSA-N 292.360 2.668 30 40 CFEB N#Cc1cccc(CNC[C@H](O)c2ccc(F)c(F)c2)c1 37501672 LSCSBQRIQSDOFZ-INIZCTEOSA-N 288.297 2.660 30 40 CFEB Cc1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])s1 5943334 COYJAVLJTCWRBI-UHFFFAOYSA-N 278.318 2.778 30 40 CFEB COC(=O)CSc1nc2ccc(C)cc2cc1C#N 411155 VUWDPTAVFZNRQN-UHFFFAOYSA-N 272.329 2.680 30 40 CFEB COC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 413499 GUJQQUNCVXEARY-UHFFFAOYSA-N 286.356 2.988 30 40 CFEB CSC[C@@](C)(O)CNc1cc(C#N)c2ccccc2n1 79017082 LXLTZNJWZXGEHJ-HNNXBMFYSA-N 287.388 2.632 30 40 CFEB COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CC=CCC2)c1 103503639 RAMCDEXEFFGLOM-DOMZBBRYSA-N 298.342 2.699 30 40 CFEB Cc1nnc(NCCc2ccccc2)c(C#N)c1C 24052556 DHZRVDZTNCXQFB-UHFFFAOYSA-N 252.321 2.620 30 40 CFEB C[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 36391942 RSZJGHXIHDPQII-ZDUSSCGKSA-N 256.349 2.892 30 40 CFEB C#CCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 2571240 PDLUWQUGEYSOGY-UHFFFAOYSA-N 292.697 2.806 30 40 CFEB C=C(Br)CN(C)C1CCN(C(C)C)CC1 65591995 LNRZLBNZGMONCE-UHFFFAOYSA-N 275.234 2.700 30 40 CFEB CC(C)CCN(CCC#N)Cc1nnc(C2CCC2)n1C 96008380 GDTVYLYRZONPNA-UHFFFAOYSA-N 289.427 2.844 30 40 CFEB N#Cc1cc(Br)ccc1NCC1(CO)CC1 96008491 PPWTWQDHBISIEQ-UHFFFAOYSA-N 281.153 2.505 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(F)cc1Cl 15293183 OQVAVSGQLSXOTH-AWEZNQCLSA-N 297.761 2.945 30 40 CFEB N#Cc1cccnc1N[C@@H](CCO)c1cccs1 72293853 OFLNXNLVNBNXJO-NSHDSACASA-N 259.334 2.550 30 40 CFEB COC(=O)COc1ccc(/C=N\c2ccccc2OC)cc1 408813714 NVBVCWYKDBLTFT-WQRHYEAKSA-N 299.326 2.998 30 40 CFEB C=CCn1c(CCC(=O)OCC)nc2ccccc21 35167688 KTRQEMTWMSSSFJ-UHFFFAOYSA-N 258.321 2.718 30 40 CFEB C=CC[C@@H](CC)NC(=O)NCCc1sc(C)nc1C 252491881 LYFJQCGKUGUHFU-GFCCVEGCSA-N 281.425 2.956 30 40 CFEB CCO/C=N/S(=O)(=O)c1ccc(Cl)c(Cl)c1 255188660 KQYWRBAKWPHADY-WUXMJOGZSA-N 282.148 2.747 30 40 CFEB Cc1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1 205428648 PAZWUCBEARZUEN-UHFFFAOYSA-N 257.142 2.776 30 40 CFEB COC(=O)c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 490856 WKCCLTCDMHZBDV-OVCLIPMQSA-N 296.278 2.795 30 40 CFEB Oc1ccc(/C=N/Nc2cccc(Cl)n2)c(O)c1 5017870 QIYMTKJETWAKQJ-VGOFMYFVSA-N 263.684 2.592 30 40 CFEB C=C(C)CN(CC)C(=O)c1[nH]c(C)c(C(C)=O)c1C 21443777 LNDJCNPSUOVFPO-UHFFFAOYSA-N 262.353 2.872 30 40 CFEB N#Cc1sc(Nc2ccc(F)cc2)c(C#N)c1N 495624 YYKUGVBHIRLECU-UHFFFAOYSA-N 258.281 2.956 30 40 CFEB CCn1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cn1 2780302 JSSNBSTVCUHKHX-UHFFFAOYSA-N 286.360 2.577 30 40 CFEB N#CCOc1ccc(NC(=O)c2ccccc2)cc1 23150571 UKVDQGOEDPJYQX-UHFFFAOYSA-N 252.273 2.841 30 40 CFEB C=C(C)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 43783103 ZPGQQVZISBJNCK-UHFFFAOYSA-N 298.346 2.504 30 40 CFEB C#Cc1cccc(NCc2cc(=O)n3cccc(C)c3n2)c1 44073547 XUZPFHZMRBIJLE-UHFFFAOYSA-N 289.338 2.596 30 40 CFEB CC1(C)C/C(=N/N)c2c(Nc3ccccc3)n[nH]c2C1 35618611 TWRIAIBOIPGYSV-WQRHYEAKSA-N 269.352 2.789 30 40 CFEB C/C(=N/O)c1cc2cc(Br)ccc2oc1=O 100682223 RKYDEELLDNWAII-MLPAPPSSSA-N 282.093 2.754 30 40 CFEB N#CCCN(CCC#N)C(=O)c1ccc(OCC2CC2)cc1 58290619 ZOXIVYLPQFZOFV-UHFFFAOYSA-N 297.358 2.745 30 40 CFEB C=CCNC(=O)[C@H](C)N[C@H](C)c1csc(C(C)C)n1 97141070 YRLBHJGOFOZELK-MNOVXSKESA-N 281.425 2.608 30 40 CFEB C[C@H]1CC(=C=N/N=C2/NC(=O)CS2)CC(C)(C)C1 6129748 OXVDIHJGIBOGDF-VIFPVBQESA-N 265.382 2.563 30 40 CFEB CCCC(C#N)(CCC)NC(=O)C[C@H]1CCCO1 84740369 PVQYSPXAOMTWDD-GFCCVEGCSA-N 252.358 2.534 30 40 CFEB CC[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 6541169 ODFSAIAJMKSMGR-OAHLLOKOSA-N 271.364 2.761 30 40 CFEB CC(C)Oc1ccccc1/C=N/N1C(=O)CSC1=S 409351195 ZBZHDJDQAVTFKU-VGOFMYFVSA-N 294.401 2.668 30 40 CFEB O=C(NCC#CCN1CCCCC1)c1cccc(Cl)c1 75164751 KOUUOBIJCNMNEL-UHFFFAOYSA-N 290.794 2.559 30 40 CFEB N#CC1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 35676677 BGEKJNGSQKQBAR-UHFFFAOYSA-N 267.325 2.826 30 40 CFEB C[C@@H]1CN(c2ncccc2C#N)C[C@H](c2ccsc2)O1 95413866 DGXUGHATHPRBRV-BXUZGUMPSA-N 285.372 2.981 30 40 CFEB N#Cc1nn(-c2ccccc2Cl)nc1N1CCCCC1 256046066 CMTPNQLVRDOOAT-UHFFFAOYSA-N 287.754 2.783 30 40 CFEB C[C@@]1(CO)CCC[C@@H]1Nc1c(F)cc(C#N)cc1F 76061177 CLJRTEFOFOWPRG-JSGCOSHPSA-N 266.291 2.799 30 40 CFEB N#Cc1ccc(N2CCC[C@H](c3nccs3)C2)cn1 195553165 JRPWKBAWFBHXQG-NSHDSACASA-N 270.361 2.794 30 40 CFEB Cc1c(CNc2ccc3[nH]ncc3c2)cc(C#N)n1C 95440137 WAGSBRMICDCAJV-UHFFFAOYSA-N 265.320 2.694 30 40 CFEB N#Cc1cc(Cl)ccc1NCC(=O)NCc1ccco1 69894169 MHAFITLPESWICK-UHFFFAOYSA-N 289.722 2.533 30 40 CFEB N#CCNC(=O)c1cc(Br)cc2ccccc12 69841666 LBCVMKRQVHRGRB-UHFFFAOYSA-N 289.132 2.856 30 40 CFEB C#CCN1C(=O)c2ccccc2N[C@H]1c1scnc1C 76065142 CUZWZHVMFLGART-CQSZACIVSA-N 283.356 2.651 30 40 CFEB COc1ccc(-c2csc(NC(=O)CC#N)n2)cc1 6182112 CHKDWZCJTXYBBP-UHFFFAOYSA-N 273.317 2.671 30 40 CFEB CC[C@H](CC#N)NC(=O)c1csc(Br)c1 54184124 XPOXJPAWTFQRKH-MRVPVSSYSA-N 287.182 2.933 30 40 CFEB N#CCCCN1CCN(c2cccc(Cl)c2)CC1 57996675 BXRPHRDCYXUHDU-UHFFFAOYSA-N 263.772 2.766 30 40 CFEB N#Cc1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 9364897 SDWCUGLFSPFKLI-MRXNPFEDSA-N 292.338 2.741 30 40 CFEB C[C@@H]1C[C@]2(C)O[C@@H]2CN1C(=O)OCc1ccccc1 242648794 RIRWBDVJTPSYDY-KYOSRNDESA-N 261.321 2.575 30 40 CFEB O=C1OS(=O)(=O)c2ccccc2N1Cc1ccccc1 255187939 HUBBSDGAOCRPEF-UHFFFAOYSA-N 289.312 2.532 30 40 CFEB CC1(C)OB(C2=CC[C@]3(CCOC3)C2)OC1(C)C 953001812 IICFARSLGHXVQJ-AWEZNQCLSA-N 250.147 2.745 30 40 CFEB CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Cl)cc1 57552630 ZKIMDOXAXAWZPS-CYBMUJFWSA-N 264.756 2.937 30 40 CFEB COc1ccccc1/C=N\N=C\c1ccccc1O 5030466 RWTYDYAMJSXTOG-VUTUTYQISA-N 254.289 2.854 30 40 CFEB COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(C#N)c1 169800220 SUYPKEHRXOZQDE-HNNXBMFYSA-N 296.282 2.771 30 40 CFEB C=CCn1cnnc1SCc1cc(F)ccc1OC 6850946 DVVQIDCLMLNVFS-UHFFFAOYSA-N 279.340 2.904 30 40 CFEB N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1 105000 KTIBTQAECPZEKI-UHFFFAOYSA-N 288.314 2.795 30 40 CFEB aggregator O=[N+]([O-])c1cc/c(=N/N=C/C=C/c2ccccc2)[nH]c1 4802545 OVCXYRIKVQDISR-LVVPDBGKSA-N 268.276 2.523 30 40 CFEB N#Cc1ccccc1OCc1nnsc1Cl 12798236 UUVLEFUVTNJAAH-UHFFFAOYSA-N 251.698 2.642 30 40 CFEB N#Cc1sc2nc(-c3ccccn3)ccc2c1N 13628892 BBCWXJSFOBVIPR-UHFFFAOYSA-N 252.302 2.812 30 40 CFEB Cc1cc(O)ccc1/N=N/c1nc(C#N)c(C#N)[nH]1 4817947 IWCUVVNAGJREIT-ISLYRVAYSA-N 252.237 2.582 30 40 CFEB COc1ccc(-c2nnc(SCCC#N)o2)cc1OC 6841235 DKPRFCJGMJNNSW-UHFFFAOYSA-N 291.332 2.760 30 40 CFEB CCOc1nc(O)c(C#N)c(-c2ccccc2)c1C#N 17123256 QVKWYTPIOQUXLL-UHFFFAOYSA-N 265.272 2.596 30 40 CFEB CC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 69700561 OUNXDNQANPREGP-WDMOLILDSA-N 262.378 2.969 30 40 CFEB C=CCNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 9645432 DVTWNTGZAFITFP-UHFFFAOYSA-N 273.317 2.843 30 40 CFEB C=C(C)COCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 97034736 YRCWFFSPJIRMJB-ZNMIVQPWSA-N 265.397 2.516 30 40 CFEB CC(C)Cn1nnnc1SCc1cccc(C#N)c1F 95455411 AXGHQSGNVZIQLL-UHFFFAOYSA-N 291.355 2.632 30 40 CFEB Cc1nc(N2CCc3ccccc32)ccc1/C=N/O 72224975 HHQAFYNOLBSHCJ-MHWRWJLKSA-N 253.305 2.892 30 40 CFEB C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H](c2ccsc2)O1 97227806 IBDFESGSBQPQNI-IAQYHMDHSA-N 285.372 2.981 30 40 CFEB N#CC1CCN(CCCCC2CCOCC2)CC1 252492490 MNPPHOLNDCNURP-UHFFFAOYSA-N 250.386 2.819 30 40 CFEB COc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 24990624 QFPVEBXBXCSTCN-UHFFFAOYSA-N 270.248 2.614 30 40 CFEB C=CCNc1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12 5573801 FDZOPSLPQYOIQJ-UHFFFAOYSA-N 273.292 2.528 30 40 CFEB N#C[C@@H](NCCN[C@H](C#N)c1ccccc1)c1ccccc1 19365142 CLZGLFQJCGDSJU-QZTJIDSGSA-N 290.370 2.695 30 40 CFEB CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)CC 156987789 PJJZXEIXMDJUHQ-SNVBAGLBSA-N 269.728 2.760 30 40 CFEB Cc1cccc(C(=O)/C=C(\O)C(=O)Nc2nccs2)c1 100682924 CDRCOHJWEFRGSC-WQLSENKSSA-N 288.328 2.715 30 40 CFEB N#Cc1c(-c2ccco2)cc(-c2ccco2)[nH]c1=O 157415 ARMMSYKNUYSKMA-UHFFFAOYSA-N 252.229 2.767 30 40 CFEB CC[C@@H](C[C@H](C)CO)Nc1ccc(C#N)cc1F 76083628 ACTAVFLFHQGDKS-JQWIXIFHSA-N 250.317 2.906 30 40 CFEB Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CC2)c1C#N 2749149 CLJMDQAUHMIKLY-UHFFFAOYSA-N 292.360 2.842 30 40 CFEB N#C[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1 548601 GBAJCPCDZBGOEA-VHSXEESVSA-N 274.370 2.814 30 40 CFEB C[C@@H](C[C@@H](C#CCN(C)C)N(C)C)CC(C)(C)C 1593745 HEZYTKNQCGFASS-LSDHHAIUSA-N 252.446 2.944 30 40 CFEB C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O 8535387 IFIXEPTXFZUXBR-YFKPBYRVSA-N 258.705 2.718 30 40 CFEB N#Cc1c(CCCNc2nc3ccccc3s2)n[nH]c1N 44869040 VNTBFZWKCTYTDM-UHFFFAOYSA-N 298.375 2.518 30 40 CFEB C/C(=C\C(=O)c1ccncc1)Nc1cccc(O)c1 103558313 HIUCBPRVHDBIRV-PKNBQFBNSA-N 254.289 2.986 30 40 CFEB O=C1C=C/C(=N\Nc2ccc(F)cc2)c2cccnc21 6045372 BZCXKKVRKNUSQU-CPNJWEJPSA-N 267.263 2.789 30 40 CFEB Cc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1 5110518 FJJKDEMXNCWGJH-CAOOACKPSA-N 256.305 2.647 30 40 CFEB N#CCSc1nnc(NCCc2cccs2)s1 14020955 VKSQFVCKTDWMME-UHFFFAOYSA-N 282.419 2.870 30 40 CFEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)CC(C)C)o1 71850175 ICFMVNSVDIRHNX-VOTSOKGWSA-N 271.338 2.544 30 40 CFEB N#Cc1nccnc1N[C@H]1CCCN(c2cccc(F)c2)C1 75140143 AKFIVULDJKSXQV-ZDUSSCGKSA-N 297.337 2.568 30 40 CFEB C=CCNC(=S)N/N=C/c1ccccc1O[C@@H](C)CC 408605223 XPTPHDVPNTWIOK-OOIIIRTPSA-N 291.420 2.848 30 40 CFEB C#CCNC(=O)[C@@H](C)S[C@@H](C)c1ccc(F)cc1 49462443 RDMUIZCEROOISD-WDEREUQCSA-N 265.353 2.758 30 40 CFEB N#C/C(=N\Nc1cccc(F)c1)C(=N)N1CCCCC1 67804 WCCYRKIEIAWPPZ-QFVQXBGYSA-N 273.315 2.580 30 40 CFEB N#Cc1cccnc1NCCOc1ccc2c(c1)CCC2 41434473 GXRPCRHMPAKYGV-UHFFFAOYSA-N 279.343 2.933 30 40 CFEB C=CCOc1ccc(CN(C)CC[C@H]2CCOC2=O)cc1 79058609 FJELOBRVBBGWHQ-HNNXBMFYSA-N 289.375 2.636 30 40 CFEB CCCCCCN1CC(=O)C(c2ccccc2)=C1N 3268676 NDHLXVFKQMFOJY-UHFFFAOYSA-N 258.365 2.779 30 40 CFEB CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccnc1 58038194 QUFUPCQZSGECCQ-GFCCVEGCSA-N 261.325 2.903 30 40 CFEB in-vitro CC1(C#N)CCN(Cc2ccc(F)cc2C#N)CC1 96002339 BCTOFQCOLXOEBY-UHFFFAOYSA-N 257.312 2.823 30 40 CFEB C#CC[C@H](C)OC(=O)c1cc(N(C)C)nc2ccccc12 95942894 ICXFOPHIXXCBKV-LBPRGKRZSA-N 282.343 2.869 30 40 CFEB CC(C)Oc1ccc(/C=N/N2C(=O)CSC2=S)cc1 409341965 CNGJEQPCDBISEB-VGOFMYFVSA-N 294.401 2.668 30 40 CFEB N#CCc1cccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)c1 78446313 RKSKTBGKDXJTPZ-HZPDHXFCSA-N 295.342 2.900 30 40 CFEB Cc1noc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)n1 41123282 UVZOGBVTHKFSLB-CQSZACIVSA-N 296.330 2.617 30 40 CFEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3)n2)cn1 585291144 LAMGEWULAFQIJQ-CYBMUJFWSA-N 265.320 2.516 30 40 CFEB CCO/C([O])=C1/CC/C(=N\OCc2ccccc2)CN1 1560403846 SWSNXICJJWWPFD-GHRIWEEISA-N 275.328 2.579 30 40 CFEB C=CCCNC(=S)NC(=O)c1oc2ccccc2c1C 16266640 IPFHEUNRSVFFHP-UHFFFAOYSA-N 288.372 2.922 30 40 CFEB N#CCOc1ccccc1/C=C1/Oc2cc(O)ccc2C1=O 22016530 ZXCUVNJTMALGEH-CXUHLZMHSA-N 293.278 2.911 30 40 CFEB N#CC1(C(=O)Nc2cccc3cn[nH]c23)CCCC1 24439990 KBMMSRVGNGTXSM-UHFFFAOYSA-N 254.293 2.585 30 40 CFEB Cn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 97203078 XYPVMDCUNKRLDY-UHFFFAOYSA-N 280.375 2.671 30 40 CFEB CN/N=C(/C)CC(=O)Nc1cccc(Cl)c1C 8653621 SNMMMAVSTQFOTI-PXNMLYILSA-N 253.733 2.572 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCc3sccc3C2)cc1 12785432 IUHRJPXUKQWXSO-UHFFFAOYSA-N 298.367 2.583 30 40 CFEB Oc1cc(/C=N\c2cccc(Cl)c2)nc(S)n1 104119673 KFXKOAKLGVQBIB-MLPAPPSSSA-N 265.725 2.875 30 40 CFEB N#Cc1ccc[n+]2c(O)c(-c3ccccc3)sc12 22636409 IVGIWLWXQAJZLU-UHFFFAOYSA-O 253.306 2.731 30 40 CFEB CCOC(=O)c1c(CC#N)nc2ccccc2c1C 8855829 NWEQJKBEJLDPPZ-UHFFFAOYSA-N 254.289 2.786 30 40 CFEB N#Cc1ccc(NC[C@@H]2COc3ccccc3C2)nc1 48332610 GWHWESULABJEFI-CYBMUJFWSA-N 265.316 2.616 30 40 CFEB Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)n1 13479800 DWNXKVBAOKIMQH-CYBMUJFWSA-N 297.383 2.852 30 40 CFEB C=C(Br)COc1cc(C)nc(C)c1C#N 84076919 KDXOURFTEPZDRQ-UHFFFAOYSA-N 267.126 2.858 30 40 CFEB C=CCN/C(=N/[C@H](C)c1cccs1)NC[C@@H]1CCCO1 72271914 NRVJHYWJUQTPLQ-OLZOCXBDSA-N 293.436 2.709 30 40 CFEB CC#CCCNC(=O)Nc1ccc(C(=O)OCCC)cc1 95996496 DLCJJWUAIQLWHS-UHFFFAOYSA-N 288.347 2.788 30 40 CFEB N#Cc1cccnc1SCC(=O)NC1CCCCCC1 9910904 ACBOMCCUBJLNCE-UHFFFAOYSA-N 289.404 2.884 30 40 CFEB C#CC[C@@H](OC(=O)c1ccc(C)o1)c1ccccn1 79101983 GCXBIANPJYXDHM-CYBMUJFWSA-N 255.273 2.904 30 40 CFEB Cc1cc(OCC(=O)N[C@@](C)(C#N)C2CC2)ccc1Cl 6589743 CCNVAAHWFUHAND-HNNXBMFYSA-N 292.766 2.836 30 40 CFEB CN(C)c1cc(C(=O)N(CCC#N)c2ccccc2)ccn1 78999896 BNVMKEUVYNUMNU-UHFFFAOYSA-N 294.358 2.708 30 40 CFEB Cc1cc(C)cc(C(=O)N(CCC#N)CCC#N)c1 47339226 TWBKMQVTMHIOGF-UHFFFAOYSA-N 255.321 2.573 30 40 CFEB C=C(Cl)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 96483371 YSWBBZMLDXDBTG-JQWIXIFHSA-N 288.819 2.974 30 40 CFEB CCCCCCCCNC(=O)C(=O)NCc1cccs1 298129284 FWDPHTRMWZYLBT-UHFFFAOYSA-N 296.436 2.841 30 40 CFEB CN(CC#N)C(=O)c1ccccc1-c1ccccc1C#N 69518451 GFQONTSTYSOTIK-UHFFFAOYSA-N 275.311 2.821 30 40 CFEB Cc1cc(C)c2c(c1)OC/C(=C\c1csnn1)C2=O 48985807 ASRDXODGIPVIPD-BJMVGYQFSA-N 272.329 2.814 30 40 CFEB CO[C@@H]1CCCCC[C@@H]1NC(=O)C1(C#N)CCCC1 96460188 MKIIPDFJQYHTIG-QWHCGFSZSA-N 264.369 2.534 30 40 CFEB CC1(C)CC(=O)C2=C(C1)N1CCn3cccc3[C@H]1C/C2=N\O 525722 COZDFPUSXSCNHJ-VBEHJTROSA-N 299.374 2.722 30 40 CFEB biogenic CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1 118237 FANCHKKMSCVJOD-GXDHUFHOSA-N 258.321 2.849 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2c[nH]c3ccccc23)nc1 5741232 ASOLXQKEDDZDAW-IUXPMGMMSA-N 281.275 2.917 30 40 CFEB CCOc1ccc(CNC(=S)N/N=C/C(C)C)cc1 12651272 LVYLZJZLWOGTPP-CXUHLZMHSA-N 279.409 2.691 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/CC(F)(F)F)c([N+](=O)[O-])c1 16928465 SOZBYKHUPCYPCN-YIXHJXPBSA-N 292.173 2.853 30 40 CFEB COC(=O)/C(=C/c1c(O)ccc2ccccc12)C(C)=O 4977929 VBFRQQNLIJTKKG-UKTHLTGXSA-N 270.284 2.691 30 40 CFEB COc1cc(N2CCC(C#N)(c3ccccc3)CC2)ncn1 1888904389 NNEJGUQSYWSMLL-UHFFFAOYSA-N 294.358 2.547 30 40 CFEB N#Cc1ccsc1NC(=O)CC1(CC(=O)O)CCCC1 6880631 FQYUDPFSLIXDRI-UHFFFAOYSA-N 292.360 2.983 30 40 CFEB CCn1c(CNc2ccc(F)cc2)nnc1SCC#N 4130386 YTHKGZGMBJIWQE-UHFFFAOYSA-N 291.355 2.665 30 40 CFEB CC(/C=C/c1ccccc1)=N/Nc1nc(SCC#N)n[nH]1 6854969 YEHKGMLFLMTBOX-HQFFKOPYSA-N 298.375 2.922 30 40 CFEB CN/C(=N/c1ccc(C(=O)OC)s1)c1ccccc1 3195539 RATWZQKSROWBEY-UHFFFAOYSA-N 274.345 2.832 30 40 CFEB N#Cc1ccc(NCc2cccc(Cn3cccn3)c2)nc1 54837062 ZOFNNPIMYBEUAI-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB COc1ccc(/C=N/NC(=N)c2ccccc2)cc1 59465389 ZXLWEPMAKVLCLV-GZTJUZNOSA-N 253.305 2.644 30 40 CFEB CC(=O)c1cc(C#N)c(SCC(=O)c2ccc[nH]2)nc1C 12695640 QRGVHLUXTRZGCV-UHFFFAOYSA-N 299.355 2.767 30 40 CFEB CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cc(C)ccc1O2 100490086 FIQFKSJDOCOLGE-HNNXBMFYSA-N 273.288 2.788 30 40 CFEB CCOc1cc(/C=C/C(=O)c2cnn(C)c2)ccc1OC 58192189 FAKJPYYGAGGHTB-FNORWQNLSA-N 286.331 2.724 30 40 CFEB CC#CCCC(=O)N1C=Cc2ccccc2[C@@H]1C#N 2601418 YJRONLAVXRHMEI-HNNXBMFYSA-N 250.301 2.868 30 40 CFEB N#CC1(NC(=O)c2ccc(-n3cccc3)cc2)CCC1 63477032 GJUKGSIPXMIHRY-UHFFFAOYSA-N 265.316 2.653 30 40 CFEB COc1ccc(CCN/C(C)=C/C(=O)C(F)(F)F)cc1 6652042 DSLWFDRYGLPEDH-MDZDMXLPSA-N 287.281 2.863 30 40 CFEB C[C@@H](NC(=O)CSC(F)(F)F)c1ccc(C#N)cc1 33180165 HVLLSMCRRXDPHJ-MRVPVSSYSA-N 288.294 2.988 30 40 CFEB COc1ccc(C(=O)CC#N)cc1Br 38074156 PTXHNRLVRMFIEN-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB N#Cc1nccnc1N1CC[C@H](CSc2ccccc2)C1 96429803 CKPUSQCJZMTSBK-ZDUSSCGKSA-N 296.399 2.967 30 40 CFEB C=CCN(C[C@@H]1C(C)=CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 249068062 JBSFWONWUVKEQT-HRCADAONSA-N 297.464 2.654 30 40 CFEB C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1OC 252483199 DXDHMFFQJNDJBB-HIFRSBDPSA-N 275.348 2.549 30 40 CFEB CCCCC[C@@H](O)C#Cc1cc(OC)ccc1OC 95632958 UKWQGRYRJCRNHL-CQSZACIVSA-N 262.349 2.997 30 40 CFEB CC1=C(C)/C(=N\OC(=O)c2ccc(C)cc2)C=CC1=O 457717 UFUYDCKTPQEXLP-VKAVYKQESA-N 269.300 2.983 30 40 CFEB C=CCc1cc(C(=O)NCc2ccccn2)ccc1OC 14397514 NXEAMIIYPUDUGA-UHFFFAOYSA-N 282.343 2.749 30 40 CFEB C/C=C/c1ccc(OCC(=O)O[C@@H](C)C#N)c(OC)c1 6176512 LBBNJKRWTUXVKF-ZWNMCFTASA-N 275.304 2.562 30 40 CFEB C=CCO/N=C1\C[C@H]2[C@H](C[C@@]1(C)N(C)C)C2(C)C 101271735 KDOWIRPIALEFSJ-RFRBJRJISA-N 250.386 2.931 30 40 CFEB C=CCO/N=C1\C[C@@H]2[C@@H](C[C@@]1(C)N(C)C)C2(C)C 101271741 KDOWIRPIALEFSJ-JGSBACDHSA-N 250.386 2.931 30 40 CFEB O=[N+]([O-])c1ccccc1N/N=C/c1ccc2c(c1)OCO2 4656882 BJJJOZGLCJJBLM-OVCLIPMQSA-N 285.259 2.770 30 40 CFEB CC(=O)CC[C@H](C1=C[C@](C)(O)CCC1=O)C(C)C 14508560 ZOEYQETWCHEROV-SWLSCSKDSA-N 252.354 2.668 30 40 CFEB biogenic O=C(O)c1ccc(N/N=C/c2cnc3ccccc3n2)cc1 5573473 XGRXKCALDQQDDR-VCHYOVAHSA-N 292.298 2.774 30 40 CFEB C=CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 96010327 BLUWQNWXDRYGMZ-UHFFFAOYSA-N 286.740 2.643 30 40 CFEB Cc1sc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)c1C 18056584 YNJUGKHCEOIJOA-QZHINBJYSA-N 298.367 2.548 30 40 CFEB Cn1c(N/N=C/c2ccc3c(c2)OCO3)nc2ccccc21 408662437 RNQQGYSPYSRJOI-RQZCQDPDSA-N 294.314 2.748 30 40 CFEB CCCc1nn(Cc2ccccc2C)c(N)c1C#N 127811344 CDTCOONZPFWLTJ-UHFFFAOYSA-N 254.337 2.646 30 40 CFEB C#CC1(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)CCCCC1 35075000 OCYWTORKQAWKIA-ULQDDVLXSA-N 293.451 2.678 30 40 CFEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(N)cc(N)c1C#N 44018780 FATDLVBGLPZPGS-UHIISALHSA-N 288.395 2.957 30 40 CFEB C=CCSCC(=O)NC1(c2noc(C)n2)CCCCC1 44404325 PSGVKPCIZXXOKZ-UHFFFAOYSA-N 295.408 2.573 30 40 CFEB CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1cccc(Cl)c1 75110387 ZPWWDIUGFZLWTJ-LLVKDONJSA-N 286.784 2.557 30 40 CFEB CC1(C)[C@H]2CN(c3ccc([N+](=O)[O-])c(C#N)c3)C[C@H]21 96503205 ZKPHFVRWIKVJSP-TXEJJXNPSA-N 257.293 2.559 30 40 CFEB COc1ccc(C=NS(=O)(=O)c2ccc(C)cc2)cc1 1857524518 NMFPHUIOZBSQGW-UHFFFAOYSA-N 289.356 2.811 30 40 CFEB CC(C)(C#N)N1CCN(c2cccc(Cl)c2)CC1 31666658 APSKRDSIHNDREW-UHFFFAOYSA-N 263.772 2.764 30 40 CFEB c1cc(-c2ccc(OC[C@H]3CO3)cc2)ccc1OC[C@@H]1CO1 15422884 OZRVXYJWUUMVOW-HDICACEKSA-N 298.338 2.909 30 40 CFEB COCc1c(N)c(C)nc(Nc2ccc(F)cc2)c1C#N 4632243 RRKZSTCTMNMMIO-UHFFFAOYSA-N 286.310 2.873 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccccc1)Nc1nonc1N2 12389582 GOFZSBUWYHJYKR-ZDUSSCGKSA-N 282.303 2.655 30 40 CFEB CCOC(=O)N/C=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 100364366 APACOMOGYGDSLN-WQZSMZHOSA-N 251.326 2.642 30 40 CFEB CN(C/C(O)=N/c1nncs1)Cc1cccc(Cl)c1 48553408 BWNIVTOHYCZRJG-UHFFFAOYSA-N 296.783 2.912 30 40 CFEB CCn1cc(/C=C2/CCc3cc(C#N)ccc3C2=O)cn1 96035261 OAYKGJHGQGYXIE-NVNXTCNLSA-N 277.327 2.987 30 40 CFEB COc1ccc(/N=C\c2ccc(OCC(=O)O)cc2)cc1 36617825 GIXUZZOBGNAQDU-YVLHZVERSA-N 285.299 2.909 30 40 CFEB C#CCN1C(=O)S/C(=C/c2cc(Cl)ccc2O)C1=O 32115618 MMAGDEHNROSVAW-YRNVUSSQSA-N 293.731 2.715 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1cccc(C)c1 225880276 PDKYBWYXYSFSHT-UHFFFAOYSA-N 271.320 2.689 30 40 CFEB CCOC(=O)c1cccnc1Oc1ccccc1C#N 48353514 MWEUWJIWZFCFCJ-UHFFFAOYSA-N 268.272 2.922 30 40 CFEB CN1CCC[C@@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1 585100778 WEZXYHXTTZIUOY-GOSISDBHSA-N 297.402 2.649 30 40 CFEB COCCN(Cc1ccc(F)cc1C#N)CC(F)(F)F 71900586 PXGDUUBWPVNMCW-UHFFFAOYSA-N 290.260 2.708 30 40 CFEB COCCOCCC(F)(C(F)(F)F)C(F)(F)F 1083806986 LEKDOKQDALQIOM-UHFFFAOYSA-N 272.160 2.872 30 40 CFEB Cc1cc(Br)ccc1B1OCC(C)(C)CO1 169808008 PMENLEGTOHLEPZ-UHFFFAOYSA-N 282.974 2.526 30 40 CFEB N#Cc1c(C(F)(F)F)ccc(Br)c1N 247639651 GLKYBAOIXFSWEL-UHFFFAOYSA-N 265.032 2.922 30 40 CFEB C=C(C)CNC(=O)Nc1cccc(C(=O)N(CC)CC)c1 156185396 CBYISIJCUUSTOK-UHFFFAOYSA-N 289.379 2.866 30 40 CFEB C/C(=N/N=c1\[nH]c(-c2ccccc2)cs1)c1nonc1C 4474699 MBYSBXJUWJETPY-SXGWCWSVSA-N 299.359 2.760 30 40 CFEB CCCCCCCNS(=O)(=O)c1ccccc1 2757127 RNJBTQYKHPBZEK-UHFFFAOYSA-N 255.383 2.935 30 40 CFEB CO[C@H]1C=CC[C@H](c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N 340762 GFZHCBZHBYOVFD-KGLIPLIRSA-N 283.287 2.687 30 40 CFEB C=CCCOCC(=O)Nc1cccc(NC(=O)CC)c1 57991474 XXSUDAYDGMVPJQ-UHFFFAOYSA-N 276.336 2.566 30 40 CFEB CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 37989541 JFEDQKDPDALLBP-UHFFFAOYSA-N 281.315 2.928 30 40 CFEB CC[C@H](C)c1ccc(C(=O)Cn2cnc(C#N)n2)cc1 14143346 AKZMVXKOQUEHRP-NSHDSACASA-N 268.320 2.546 30 40 CFEB CCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C 6604102 IKRJEKKSBMJDRD-CQSZACIVSA-N 258.321 2.636 30 40 CFEB COC(=O)c1occc1/C=C1/Cc2c(O)cccc2C1=O 96931964 YVMJOXJAPAIACX-YFHOEESVSA-N 284.267 2.594 30 40 CFEB C=CCCN1CCOC[C@@H]1CC(=O)c1ccccc1 97162990 OBXVABOTWKRJBL-HNNXBMFYSA-N 259.349 2.536 30 40 CFEB Cc1ccc2nc(-c3cccc(/C(N)=N/O)c3)[nH]c2c1 72284255 NWAJCQOJIWXWPM-UHFFFAOYSA-N 266.304 2.633 30 40 CFEB CN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 31298302 VMENWCGFKHUBAV-SXGWCWSVSA-N 285.307 2.502 30 40 CFEB O=C(NCC#CCN1CCCC1)Nc1ccc(Cl)cc1 75164662 WVZLUBRSJHIHIC-UHFFFAOYSA-N 291.782 2.561 30 40 CFEB N#C[C@@H]1C[C@H](c2ccccc2)c2sc(=O)[nH]c2S1 96306222 VVIJKNUONOKNRU-VHSXEESVSA-N 274.370 2.956 30 40 CFEB C=CCOCc1cncc2c1CCN(Cc1ccncc1)C2 96059286 DCMADSTWFAPWEY-UHFFFAOYSA-N 295.386 2.738 30 40 CFEB N#Cc1ncc(C(F)(F)F)cc1N1CCCCC1 95829753 JECUZRRZDTUEBY-UHFFFAOYSA-N 255.243 2.962 30 40 CFEB C=C[C@](C)(CC)C(=O)NC1CCN(CC(F)(F)F)CC1 97104336 YSWQBVQMGUFYPC-CYBMUJFWSA-N 292.345 2.732 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCCCCC3)n2)cc1 256048036 QGJVFSWYIQTYDA-UHFFFAOYSA-N 281.363 2.828 30 40 CFEB C#CCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 5016762 KJRDLUNEBTZOED-ACCUITESSA-N 293.278 2.636 30 40 CFEB CN1C(=O)/C(=N\c2ccccc2)C(=O)c2ccccc21 5719773 DSBYEBDRYDOVIM-VKAVYKQESA-N 264.284 2.618 30 40 CFEB COc1ccc(C(=O)/C=C\Nc2cc(C)no2)cc1 16284066 DHDQQFMSPCEFRL-FPLPWBNLSA-N 258.277 2.800 30 40 CFEB CCCCC/C(C)=N/NS(=O)(=O)c1ccc(N)cc1 16968942 IUWCNPXIKQKRRE-RVDMUPIBSA-N 283.397 2.503 30 40 CFEB C#CCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 17797773 KQNOOKPRDGGOFM-UHFFFAOYSA-N 269.275 2.981 30 40 CFEB N#Cc1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 32658927 FBVFFUQEOKKYEQ-UHFFFAOYSA-N 289.294 2.652 30 40 CFEB N#C[C@@H](Cc1ccncc1)C(=O)Nc1ccccc1F 419730 MSHDXPVHYHLZER-GFCCVEGCSA-N 269.279 2.542 30 40 CFEB CC(C)(C#N)C(=O)NCc1coc(-c2ccccc2)n1 76022131 APPYCGQBISSHMO-UHFFFAOYSA-N 269.304 2.508 30 40 CFEB N=C1N=C/C(=N\Nc2cc(C(=O)O)ccc2Cl)S1 103429564 UFXVDSQCQKOVHM-IEEVFAKASA-N 282.712 2.516 30 40 CFEB N#Cc1ccc(OCCOC(=O)c2ccsc2)cc1 22538017 GDOXNJCICBYWTH-UHFFFAOYSA-N 273.313 2.856 30 40 CFEB CCc1nnc(S)n1/N=C(\C)c1ccccc1F 104682084 WTIDOJPSTQYHJB-LZYBPNLTSA-N 264.329 2.541 30 40 CFEB CCN1C(=O)/C(=N/Nc2cccc(C)c2)SC1=S 103469254 VDRUUUHBDKLFBS-UVTDQMKNSA-N 279.390 2.601 30 40 CFEB CCOC(=O)[C@H]1CCC/C1=N\Nc1ccc(C(=O)O)cc1 12859968 MYRMLLKWSTZGRS-LMEYLDQESA-N 290.319 2.516 30 40 CFEB C[C@H](NCc1ccccc1)C(=O)Nc1ccccc1C#N 12973129 CRSMRQPDMAULBX-ZDUSSCGKSA-N 279.343 2.675 30 40 CFEB C[C@@H](NC(=O)CSCC#N)c1ccc(F)c(Cl)c1 48976031 APNAYEZYCHEEDP-MRVPVSSYSA-N 286.759 2.913 30 40 CFEB COc1ccc(-c2ccc(/C=N/O)o2)c([N+](=O)[O-])c1 20247731 ZMTRAVOJXJRRIX-NTUHNPAUSA-N 262.221 2.672 30 40 CFEB N#CCOc1ccc(C2=NO[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 5244029 TWRLJXRXYMXWQM-FAXLKDOZSA-N 268.316 2.738 30 40 CFEB COC(=O)c1cccc(OCc2ccccc2C#N)c1 15552483 XKDSZIYRCXIMSB-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2ccccc2)CCC1 69654441 AESDHWVGJFMXPZ-QGZVFWFLSA-N 299.418 2.710 30 40 CFEB O=C(/C=C/N1CCc2ccccc2C1)c1ccccn1 95921827 QFKQVAWNIDKMEB-FMIVXFBMSA-N 264.328 2.836 30 40 CFEB Cc1cc(/C(CNC(=O)OC(C)(C)C)=N/O)ccc1F 34781583 PHEPOYMRYTVOJG-SFQUDFHCSA-N 282.315 2.837 30 40 CFEB CCCn1c(C#N)cc(N)c1Oc1ccc(C(=O)OC)cc1 225887131 HBKPUPIMKQUJBG-UHFFFAOYSA-N 299.330 2.931 30 40 CFEB CCc1nc(SCc2ccccc2F)nc(N)c1C#N 225891519 GMNROZOPZASDKO-UHFFFAOYSA-N 288.351 2.924 30 40 CFEB C=CCN(Cc1ccc(C)cc1)[C@@]1(C)CCS(=O)(=O)C1 575423162 YPSLLIKUVCMDTB-INIZCTEOSA-N 293.432 2.560 30 40 CFEB C=CCn1c(S)nnc1Cc1ccc(OCC)cc1 16852643 VKKIWHZSBPLNSD-UHFFFAOYSA-N 275.377 2.742 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc3c(c2)OCO3)c1 13126357 MSRJULONYPRVFP-CHHVJCJISA-N 286.243 2.780 30 40 CFEB C/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccncc1 4593035 JOEVKFLEXVKUQQ-LICLKQGHSA-N 281.275 2.698 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1F 12785391 XHNSTTXUTAJABD-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CSC(Cl)=NS(=O)(=O)c1ccc(C)cc1 2049251845 OMNLXDKGYOPXLK-UHFFFAOYSA-N 263.771 2.642 30 40 CFEB CCOC(=O)CSc1nc(C)c(Cl)c(C)c1C#N 140612 XFLMUISSZNGWDY-UHFFFAOYSA-N 284.768 2.879 30 40 CFEB N#Cc1ccc(C(=O)NC2CCC(n3cccn3)CC2)cc1 618255986 BIZDUWKJZNBBEB-UHFFFAOYSA-N 294.358 2.668 30 40 CFEB C#CCOCC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 49028849 FTOPQQIXORHZJB-UHFFFAOYSA-N 296.370 2.670 30 40 CFEB CC[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F 40357634 MQIGTJCYYWHZJY-ZDUSSCGKSA-N 268.263 2.710 30 40 CFEB N#CC1(NCCNC2(C#N)CCCCC2)CCCCC1 20267718 RIVIGDFKNYTMGB-UHFFFAOYSA-N 274.412 2.619 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2CCCN2c2nccs2)c1 40516188 CDZMJGRSIXYEOE-CQSZACIVSA-N 297.383 2.732 30 40 CFEB N#Cc1cccc(/N=C(\N)c2cccc([N+](=O)[O-])c2)c1 20404799 ZFLBVSXSBMWJHH-UHFFFAOYSA-N 266.260 2.503 30 40 CFEB N#CCCN(CC1CC1)S(=O)(=O)c1ccccc1Cl 69623645 YZKMNGAYCKAQSA-UHFFFAOYSA-N 298.795 2.654 30 40 CFEB N#Cc1cnn(-c2cccc(Cl)c2Cl)c1N 150153 DZCJVPWQVLPDAS-UHFFFAOYSA-N 253.092 2.633 30 40 CFEB N#Cc1cccc(NC(=O)Nc2ccn(CC(F)F)n2)c1 79014707 BXAONLANFYWZKO-UHFFFAOYSA-N 291.261 2.664 30 40 CFEB O=[N+]([O-])c1ccc(/C(=N/c2ccccc2)N2CC2)cc1 102798491 SNPULEFLJPSWHU-NXVVXOECSA-N 267.288 2.989 30 40 CFEB CCCCCCCC(=O)NN1C(=O)[C@H]2CCCC[C@H]2C1=O 100980658 STWNBRBUMQKVSW-BETUJISGSA-N 294.395 2.553 30 40 CFEB C/N=C1/S/C(=C\c2ccc(OC)cc2C)C(=O)N1C 59104192 QMPBBTKBZCABRT-ZCJJVTNMSA-N 276.361 2.536 30 40 CFEB C=C(Br)CNc1ccc([N+](=O)[O-])c(C#N)c1 97379688 QUNYLYMMCPACOF-UHFFFAOYSA-N 282.097 2.787 30 40 CFEB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H](C)CC#N)s1 108322193 RMPINLZWQRILEZ-JLLWLGSASA-N 262.378 2.921 30 40 CFEB C=CCn1c(N)nnc1SCc1cccc(C)c1 45023192 KJOPRYXOWOKKAO-UHFFFAOYSA-N 260.366 2.647 30 40 CFEB CCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2 20827373 LXNVPROYQBCPPE-UHFFFAOYSA-N 285.391 2.621 30 40 CFEB Cc1ccc(-c2nc3n(c(=O)c2C#N)CCCCS3)cc1 5607359 NXBSHYXFTRGIJU-UHFFFAOYSA-N 297.383 2.976 30 40 CFEB CC(=O)SCC(=O)Nc1sc2c(c1C#N)CCCC2 9320505 NYGPRJSYMIEQME-UHFFFAOYSA-N 294.401 2.717 30 40 CFEB C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCO 191483397 WNIWKIYNJVQIEE-UHFFFAOYSA-N 276.380 2.995 30 40 CFEB Cc1ccccc1[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)CC1CC1 96420377 JSGDUJGCROCVOX-KBPBESRZSA-N 293.388 2.795 30 40 CFEB CN(C)c1cc(CNc2cccc(F)c2C#N)ccn1 30001099 YIZOLLGNHPCXSU-UHFFFAOYSA-N 270.311 2.770 30 40 CFEB N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c(F)c1 42251347 TTYOEXKLJPDSJV-HOTGVXAUSA-N 274.339 2.841 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C\c2ccc(C)s2)cc1 17004050 QACCEFLEPSCJEL-ZROIWOOFSA-N 294.401 2.677 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 5324022 NYANUJCLKSCNMT-NTUHNPAUSA-N 271.236 2.510 30 40 CFEB C#CCn1/c(=N/C(=O)C2CC2)sc2cc(Cl)ccc21 100875245 NKOWPKZDLPRFIM-PEZBUJJGSA-N 290.775 2.827 30 40 CFEB Cc1ccccc1NC(=O)[C@H](C#N)Cc1cccnc1 420089 NJTZMIHDOWMIPK-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB O=C(/C=C\c1ccc(O)c(O)c1)c1ccccc1O 4783204 PSYVAIWGYVDYHN-ALCCZGGFSA-N 256.257 2.700 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\OCc2cscn2)c1 4963517 YYIGVLCURLGMTK-ACAGNQJTSA-N 263.278 2.602 30 40 CFEB C=C(C)CN(CC)S(=O)(=O)c1c(F)cccc1F 57719604 HEOLIDZZNCSYLY-UHFFFAOYSA-N 275.320 2.552 30 40 CFEB CC1=C/C(=N\NC(=S)NCCc2cccs2)CC1 10949568 OMKFYTVZOJEVGE-PTNGSMBKSA-N 279.434 2.851 30 40 CFEB O=[N+]([O-])c1cccc(-c2nc(/C=N/O)c3ccccn23)c1 6025819 HQJRWWYFONHZFL-OQLLNIDSSA-N 282.259 2.718 30 40 CFEB CCOc1cc(C/N=C(/N)Nc2cccc(C)c2)ccn1 70009866 NRWUZYATCPIDCI-UHFFFAOYSA-N 284.363 2.716 30 40 CFEB C[C@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 69454223 HCQLNJPXLVXGGL-RKDXNWHRSA-N 286.253 2.501 30 40 CFEB N#CC1(C(=O)NCCc2cc3ccccc3[nH]2)CCCC1 95429954 QRKBSPZXYAWQGP-UHFFFAOYSA-N 281.359 2.911 30 40 CFEB CC(=O)c1ccc(CNC(=O)C2(C#N)CCCCC2)nc1C 96486154 ZCGPRUPJCGXLKS-UHFFFAOYSA-N 299.374 2.683 30 40 CFEB N#CCN(CC#N)c1ccc(Br)cc1Cl 95915817 MBSQQCIZAPXXOP-UHFFFAOYSA-N 284.544 2.956 30 40 CFEB COc1ccc(/C=C/C(=O)[C@@]23CCCC[C@H]2O3)cc1OC 100019809 QUUNKNVMAVPMIY-DGEHHSODSA-N 288.343 2.998 30 40 CFEB Cc1csc(C2=C(N)N(C3CCCCCC3)CC2=O)n1 13684219 WCVSEOAXQPYUIO-UHFFFAOYSA-N 291.420 2.686 30 40 CFEB O=C(Oc1ccccc1)/C(O)=C/C(=O)c1ccccc1 16451235 UYPKIYJZSWCTEU-PTNGSMBKSA-N 268.268 2.917 30 40 CFEB O=S(=O)(Cc1ccccc1)[C@@H]1CCC=CCC/C1=N\O 18100017 HOSDPKTXOHXLRY-KVOVEKIOSA-N 293.388 2.930 30 40 CFEB COC(=O)c1ccc(C#Cc2ccc(B(F)F)cc2)cc1 232321897 LBMKWWRBDIXJTP-UHFFFAOYSA-N 284.070 2.507 30 40 CFEB N#Cc1ccc(F)cc1CN1CCC[C@@H]1c1ccc(O)nn1 528788828 LWRVMMZTDXCXKW-OAHLLOKOSA-N 298.321 2.530 30 40 CFEB Oc1ccccc1C=NCCN=Cc1ccccc1O 1857775693 VEUMANXWQDHAJV-UHFFFAOYSA-N 268.316 2.636 30 40 CFEB C=CCOc1ccc(C(=O)N2C[C@H]3C[C@H](C)O[C@H]3C2)cc1 1565552796 XHNOZFQOVDIMNZ-BJJXKVORSA-N 287.359 2.501 30 40 CFEB O=C1/C(=C/c2ccc(O)c(O)c2)Cc2ccccc21 13781297 PPOMQCAGVJQMEO-KPKJPENVSA-N 252.269 2.920 30 40 CFEB CCn1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)n1 372047 KFSGNLUEAPEJDP-UHFFFAOYSA-N 286.360 2.577 30 40 CFEB C=CCNC(=O)Nc1ccccc1CN1CCSCC1 61789663 IOEMXULXOQAMFC-UHFFFAOYSA-N 291.420 2.543 30 40 CFEB COc1ccc(OCCCNc2ccc(C#N)cn2)cc1 57149070 SGPIQYWHFOHYSD-UHFFFAOYSA-N 283.331 2.843 30 40 CFEB CN(C(=O)/C=C/c1ccccc1C#N)C1CCCC1 48249819 QAKKCFPLGIXTSS-ZHACJKMWSA-N 254.333 2.972 30 40 CFEB Cc1noc(C2CCN(c3cccc(F)c3C#N)CC2)n1 58357531 SCNOZISKTBSUDJ-UHFFFAOYSA-N 286.310 2.773 30 40 CFEB N#Cc1cc(COc2cccc(F)c2C(N)=O)ccc1F 97376136 NXFCCGUEECULDU-UHFFFAOYSA-N 288.253 2.514 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C/c2c(C)[nH]c3ccccc23)C1=O 3305772 FNFLNQMZSUFFJT-BRMCRPDNSA-N 298.346 2.531 30 40 CFEB COC[C@H](c1cccc(C(F)(F)F)c1)N(C)CC#N 71910711 WYGOPRWTFVTYIZ-GFCCVEGCSA-N 272.270 2.848 30 40 CFEB CN(C)CCNc1oc(-c2cccc(Cl)c2)nc1C#N 5164027 UFCHRAVBYWXFHP-UHFFFAOYSA-N 290.754 2.840 30 40 CFEB C/C(=N\Nc1nccnc1Cl)c1cccc(N)c1 5249925 AKUFKXXAVXLPSO-CAOOACKPSA-N 261.716 2.548 30 40 CFEB CC[C@](C)(C#N)NC(=O)/C=C/c1c(F)cccc1F 69438849 JEXDFWXQRMYHNK-HSBSLETESA-N 264.275 2.786 30 40 CFEB N#Cc1ccc(OCc2ccc(C(N)=O)cc2)c(Cl)c1 9950396 FZUSOQHTSYXAJQ-UHFFFAOYSA-N 286.718 2.890 30 40 CFEB S=C(N/N=C\c1ccccc1)N/N=C/c1ccccc1 33328760 QYIDDDFCXHCQEH-QJWWANOYSA-N 282.372 2.519 30 40 CFEB CSCCCN(C)C(=O)NCc1ccc(C#N)cc1F 225575796 ZJDXAYACRNMFCJ-UHFFFAOYSA-N 295.383 2.592 30 40 CFEB C=CCC[C@H](C)Nc1cccc(C(=O)N2CCOCC2)c1 195561781 XOXOKTMDAACLCK-AWEZNQCLSA-N 288.391 2.926 30 40 CFEB N#Cc1ccc(I)cc1Cl 91297231 HLFNGYARDINCQT-UHFFFAOYSA-N 263.465 2.816 30 40 CFEB CC(C)(C)OC(=O)CCSc1ccc(C#N)cn1 252489180 JIVVXCQUEUNSTB-UHFFFAOYSA-N 264.350 2.777 30 40 CFEB O=C(Nc1ccccc1)[C@@]12C=C1C(=NO)c1ccccc1O2 604938312 JEVOHVSEDXBGND-QGZVFWFLSA-N 292.294 2.575 30 40 CFEB CN/N=C(\C)CC(=O)Nc1cccc(Cl)c1C 5809995 SNMMMAVSTQFOTI-LZYBPNLTSA-N 253.733 2.572 30 40 CFEB CC[C@@H]1C(=O)C(c2ccccn2)=C(N)N1c1ccccc1 3171641 OQIJBDWMBPQVDO-CQSZACIVSA-N 279.343 2.577 30 40 CFEB N#CCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 319399 OSJILWBIKYRBQD-UHFFFAOYSA-N 275.308 2.725 30 40 CFEB N#Cc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 587461 JHWIEAFZLFHCJM-CXUHLZMHSA-N 267.244 2.923 30 40 CFEB CC1(C)C/C(=N/O)[C@@H]([C@H](O)c2ccccc2)C(C)(C)N1 102682638 VGFIOZVWVYMGPY-ALRNZDJHSA-N 276.380 2.717 30 40 CFEB N/N=C1\C(=O)Nc2cc(SCc3ccccc3)ccc21 43947871 PETQUFWWAXFELZ-UHFFFAOYSA-N 283.356 2.594 30 40 CFEB Cc1ccc(S(=O)(=O)OC2[C@@H]3C=CC=C[C@@H]2C=C3)cc1 101046089 KQNWUWWVRKZYTM-ZIAGYGMSSA-N 288.368 2.997 30 40 CFEB O=c1c2ccccc2[nH]c(=S)n1/N=C/c1ccccc1 10274582 SQGNWJILSDYAFI-MHWRWJLKSA-N 281.340 2.941 30 40 CFEB Cc1cnccc1CCNc1ccc([N+](=O)[O-])c(C#N)c1 97379227 WNQDHKWIHUBINJ-UHFFFAOYSA-N 282.303 2.825 30 40 CFEB CC(C)n1c(S[C@@H](C)C#N)nc2ccccc2c1=O 4948380 DMPQQVBHBWJVKX-JTQLQIEISA-N 273.361 2.982 30 40 CFEB Cc1cccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c1C 15288654 XFGKCLXMNBTNPP-INIZCTEOSA-N 273.380 2.770 30 40 CFEB Cc1cnn(C[C@H]2CCCN2Cc2ccc(C#N)cc2)c1 70040091 HWDWZBIULDZKOB-QGZVFWFLSA-N 280.375 2.728 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCCOc2ccc(C#N)cc2)c1 69571681 CEKSPMKEHHBEHK-LSDHHAIUSA-N 298.390 2.681 30 40 CFEB C=CCOCCCC(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C 74719275 FEGQKZSIEDEKFA-STQMWFEESA-N 277.368 2.552 30 40 CFEB COCCCNC(=O)c1ccc(C#Cc2ccccc2)cc1 24713758 JXRMALCXXOVKOG-UHFFFAOYSA-N 293.366 2.853 30 40 CFEB C=C(Cl)Cn1ccnc1[C@@H](O)c1ccc(F)cc1 189474950 WVDIIVUHHKAKQX-LBPRGKRZSA-N 266.703 2.856 30 40 CFEB Cc1nc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc2n1C 195561550 SVYHPTBHEWLNNA-JTQLQIEISA-N 285.347 2.977 30 40 CFEB Cc1ccc(N/N=C(\NNc2ccc(C)cc2)[N+](=O)[O-])cc1 95116283 FPKFBQUGFWTCFM-UHFFFAOYSA-N 299.334 2.880 30 40 CFEB CC1(C)OB([C@@H](N)CC2CCCCC2)OC1(C)C 1307209432 OSVLYIQWPQKUAN-LBPRGKRZSA-N 253.195 2.916 30 40 CFEB C=CCCC(=O)N1CCC(Oc2cccc(C)n2)CC1 96119484 JHAZTPUJGRJSAN-UHFFFAOYSA-N 274.364 2.726 30 40 CFEB O=C(O)C[C@@H](CNOC(=O)c1ccccc1)c1ccccc1 5604195 BOHZDUQWWPEBIH-HNNXBMFYSA-N 299.326 2.607 30 40 CFEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc([N+](=O)[O-])cc2)o1 27562339 SKBDURRYEQAYFN-LZYBPNLTSA-N 297.274 2.934 30 40 CFEB COC(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692878 MAJCBWLFAXIVPO-UHFFFAOYSA-N 286.312 2.659 30 40 CFEB O=C1Oc2ccccc2N/C1=C/C(=O)c1ccccc1 100401022 PHKWAFAXDNTAIQ-JLHYYAGUSA-N 265.268 2.784 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN2CCCC[C@H]12 47272564 RQKPNOYYEWOWLT-LSDHHAIUSA-N 286.335 2.505 30 40 CFEB C#Cc1cccc(NC(=O)Cc2cccc(F)c2)c1 41636824 IIAAKAQVXWKTHN-UHFFFAOYSA-N 253.276 2.988 30 40 CFEB C[C@@H]1C(=O)C2=C(O[C@@H]1C)C(=O)O[C@H]2c1ccc(Cl)cc1 1665248 WUMICVVEOSLLNB-DAROEXNTSA-N 292.718 2.816 30 40 CFEB CC(C)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 8558102 XKIHOLUVKUMGBZ-UHFFFAOYSA-N 293.417 2.577 30 40 CFEB CC1=NNC(=O)[C@@H]1[C@H](c1ccc(C(C)C)cc1)C(C#N)C#N 104815738 VOPCIEVXBIWKMR-JKSUJKDBSA-N 294.358 2.679 30 40 CFEB N#Cc1ccc(O/C=C/C(=O)Oc2ccc(C#N)cc2)cc1 1406985 QFWAOHKBPATVME-MDZDMXLPSA-N 290.278 2.928 30 40 CFEB Cn1cc(/C=C/C(=O)c2ccc3c(c2)CCC3)cn1 12888411 BAVXQLVZZSTQOA-VMPITWQZSA-N 252.317 2.805 30 40 CFEB Oc1ccccc1/C=N\c1ccc2c(c1)OCCO2 5273455 WKDQPCBNRXHHOQ-YBEGLDIGSA-N 255.273 2.914 30 40 CFEB CC[C@H](CC#N)NC(=O)c1cc(F)c(F)cc1F 97140582 ARCFMOYSVAAADT-SSDOTTSWSA-N 256.227 2.526 30 40 CFEB C=CCN/C(=N/[C@H](C)c1cccs1)NCC1CC1 95350556 ISXKHALOMYUYMM-LLVKDONJSA-N 263.410 2.940 30 40 CFEB Cc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 31298309 NJBCCVUXKPILEC-NVNXTCNLSA-N 256.265 2.744 30 40 CFEB C=C(C)COCCNC(=O)c1ccc(F)c(Cl)c1F 97376749 VSSZOCIKGMAYDZ-UHFFFAOYSA-N 289.709 2.941 30 40 CFEB CN(Cc1nccn1C)c1cc(C#N)ccc1C(F)(F)F 97096731 ZHOYXYJGWAAMQQ-UHFFFAOYSA-N 294.280 2.947 30 40 CFEB CC(C)[C@]12C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1O2 242538732 JDPPCJDVUVFIMG-UHIISALHSA-N 255.358 2.809 30 40 CFEB N#Cc1ccc(OC2CN(C(=O)C[C@H]3C=CCC3)C2)cc1 97378108 WMKLWJQZJBHRGE-ZDUSSCGKSA-N 282.343 2.504 30 40 CFEB CCN(CC)C(=O)c1sc(NC(=O)OC)c(C#N)c1C 2740779 SRAFBJWDHOETDH-UHFFFAOYSA-N 295.364 2.589 30 40 CFEB CCCCn1nccc1NC(=O)COc1ccc(C#N)cc1 41935918 UOZNDAZRXIIJKX-UHFFFAOYSA-N 298.346 2.572 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc3c2OCCO3)c1 42011859 UEQVURBMHVDBJE-UHFFFAOYSA-N 279.295 2.691 30 40 CFEB C#CCOC(=O)/C=C/c1ccc(OCc2cccnc2)cc1 113654445 SVGSJFIGEBGYNO-JXMROGBWSA-N 293.322 2.850 30 40 CFEB O=C(NCC#Cc1ccccc1)c1ccc(F)cc1 57563096 BLQSQHINROVWKF-UHFFFAOYSA-N 253.276 2.607 30 40 CFEB N#Cc1ccc(N2CC[C@H](N3CCCCCC3)C2=O)cc1 28708653 UCHGOQDNOJFVOJ-INIZCTEOSA-N 283.375 2.540 30 40 CFEB CO[C@H](C(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1 95453908 ORFGGXZKXNTKJS-CVEARBPZSA-N 298.317 2.894 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccccc1)C2 19328563 IIMZEHJNRATVMD-UHFFFAOYSA-N 270.376 2.693 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2ccco2)c([N+](=O)[O-])c1 4128213 JLMSXDMAAIAPCZ-KPKJPENVSA-N 276.208 2.542 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1sccc1C#N 9154610 NOQMRSOCTHDZKH-SNVBAGLBSA-N 297.339 2.897 30 40 CFEB O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1cccnc1 6276611 LEPOSNYEOKIVNO-JYRVWZFOSA-N 297.339 2.679 30 40 CFEB COC(=O)N(C)C(C)(C)/C(C)=N/OC(=O)c1ccccc1 16102148 JWGVYZRABPLPOQ-LFIBNONCSA-N 292.335 2.696 30 40 CFEB CC(C)n1ncc2c1NC(=O)[C@H](C#N)C21CCCCC1 9953700 FEJMLEUWQINHFV-NSHDSACASA-N 272.352 2.758 30 40 CFEB CC1(C)C[C@H](NCCC#N)C[C@@](C)(CNCCC#N)C1 33611226 HEUAYLFWKXGPEA-GOEBONIOSA-N 276.428 2.578 30 40 CFEB CSc1ccc(O[C@@H](C)C(=O)N(C)[C@H](C)CC#N)cc1 76992163 IZWGTQVICHXZID-NEPJUHHUSA-N 292.404 2.936 30 40 CFEB O=C(NO)c1ccc(-c2cc3ccccc3oc2=O)cc1 226290917 VGADERGQCOJFNB-UHFFFAOYSA-N 281.267 2.579 30 40 CFEB N#Cc1cc(N)c(Oc2ccccc2)n1C[C@@H]1CCCO1 225878707 FAMLJBQLRXNGTD-AWEZNQCLSA-N 283.331 2.913 30 40 CFEB CN(C)/C=N/c1ncnc2ncc3c4ccccc4[nH]c3c12 2101446 MTBZIJQPBHTKJC-AWQFTUOYSA-N 290.330 2.881 30 40 CFEB biogenic C#CCNC(=O)c1cnc(-c2ccc(C)cc2C)s1 61343638 WSFRSUUQUUIVMT-UHFFFAOYSA-N 270.357 2.790 30 40 CFEB COC(=O)[C@@H](C)CSCc1ccc(C#N)cc1F 78823526 VOONKAVIHNKEMZ-VIFPVBQESA-N 267.325 2.740 30 40 CFEB CCCCc1c(C)nc(NN=C2CCCC2)[nH]c1=O 8742078 RAGQHZTWXAXKIG-UHFFFAOYSA-N 262.357 2.763 30 40 CFEB COc1ccc(N/N=C(\C=O)C(=O)c2ccccc2)cc1 100364248 NGERMRGKRPZCKJ-OBGWFSINSA-N 282.299 2.545 30 40 CFEB N#Cc1cccc(CN2CCN(c3ccccc3)CC2)c1 57286383 KNZFWCFJJQETCP-UHFFFAOYSA-N 277.371 2.880 30 40 CFEB Cc1ccc(S(=O)(=O)[C@@H]2CCCC/C2=N/O)cc1 100948589 FPAUJHLMASNBJC-NXXVSJRMSA-N 267.350 2.542 30 40 CFEB C=CCn1c(COc2ccccc2OC)n[nH]c1=S 5486331 DABRDESRHVVWCY-UHFFFAOYSA-N 277.349 2.714 30 40 CFEB Cc1cc(C)n(C2CN(c3cccc(F)c3C#N)C2)n1 69513821 KLPDRJBNVNGUBW-UHFFFAOYSA-N 270.311 2.572 30 40 CFEB C=CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 20161122 IGQPVLSKYIZBMV-FLIBITNWSA-N 261.302 2.575 30 40 CFEB C#CCn1c(CN2CCCCC2)nc2ccccc21 76555448 UWGULXHMUATTMD-UHFFFAOYSA-N 253.349 2.655 30 40 CFEB Cc1ccc(NC[C@H]2CCN(C[C@H](C#N)CCC#N)C2)nc1 97203786 IFLUXMVICZVMDC-JKSUJKDBSA-N 297.406 2.567 30 40 CFEB CO[C@H](C)c1nc(C/N=C(/N)N2CCCCCC2)cs1 252479435 BFBVAWAYDUKILV-LLVKDONJSA-N 296.440 2.541 30 40 CFEB Cc1ccc(OCCCC(=O)NC2(C#N)CC2)cc1C 96445300 RIUJPXWAKAFPOB-UHFFFAOYSA-N 272.348 2.635 30 40 CFEB Sc1nnc(-c2ccccc2)n1/N=C\c1ccco1 6283343 DRVAQVMLKHKTRJ-ZROIWOOFSA-N 270.317 2.709 30 40 CFEB C#Cc1cccc(NC(=O)CSC(F)(F)F)c1 30701578 RSRCGKFKSSLFOM-UHFFFAOYSA-N 259.252 2.859 30 40 CFEB CSc1ccc(O[C@@H](C)C(=O)N(C)CCC#N)cc1 76961999 OQVHRKXXERJOOV-NSHDSACASA-N 278.377 2.548 30 40 CFEB O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1O 1870553 MLZONHYJHOUBOQ-IAGOWNOFSA-N 250.297 2.797 30 40 CFEB N#C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)CCO1 93134728 FINZRECIMJAKIA-MRXNPFEDSA-N 297.333 2.612 30 40 CFEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OC(C)C 5686002 ZMZWIEQHLRUJHF-VIZOYTHASA-N 292.364 2.619 30 40 CFEB C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 9482247 OOIYKSXXEVEFSP-QWHCGFSZSA-N 272.348 2.727 30 40 CFEB C=CCOc1ccc(C(=O)N(C)Cc2ccncc2)cc1 68029886 LAYYUPJLFQQYST-UHFFFAOYSA-N 282.343 2.919 30 40 CFEB C=CCn1c(S)nnc1[C@@H](C)Oc1cccc(OC)c1 17022687 GTQYXVBNKBKBEY-SNVBAGLBSA-N 291.376 2.901 30 40 CFEB N#Cc1cc(F)c(NCCc2cccnc2)c(F)c1 94195350 AHACTARHWXCFSG-UHFFFAOYSA-N 259.259 2.886 30 40 CFEB CCO[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2s1 69896494 WMFRMFFLJDKMJE-NXEZZACHSA-N 274.345 2.898 30 40 CFEB COC[C@](C)(C#N)NC(=O)/C(C)=C/c1ccc(Cl)cc1 95443321 ZPQBCZTUTZJFJK-SHQCLWGWSA-N 292.766 2.788 30 40 CFEB C[C@H](NCCOc1cccnc1)c1ccc(C#N)cc1 95987909 KJTPICRRXUEZIX-ZDUSSCGKSA-N 267.332 2.683 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1cccc(COCC)c1 72241248 MJWCQLHPAOYEDD-UHFFFAOYSA-N 295.404 2.586 30 40 CFEB CC[C@@H](C)n1nc(Cc2ccccc2)c(C#N)c1N 225832937 FGEHSJWJADHVEB-LLVKDONJSA-N 254.337 2.899 30 40 CFEB O/C(=N/CCCc1nc[nH]n1)Nc1cccc2ccccc12 330033173 WVPUXDKAWBNGHQ-UHFFFAOYSA-N 295.346 2.917 30 40 CFEB CN1CC[C@@H]2[C@H](CCCN2c2cccc(F)c2C#N)C1 95971011 ATNSTALBRQOFND-IUODEOHRSA-N 273.355 2.618 30 40 CFEB CC1=C(CCC(=O)O)C(=O)[C@H](CCC(=O)O)C(C)(C)C1 5328570 BQRPLWREBGLFFO-NSHDSACASA-N 282.336 2.648 30 40 CFEB C=CCN(C)C(=O)NCC1(c2ccccc2F)CC1 154935821 WRWXVXCXSKHQRP-UHFFFAOYSA-N 262.328 2.685 30 40 CFEB COc1ccc(/C(C)=N\NC(=S)NCC(C)C)cc1 5452688 KYIDEEDBZVOOMI-WJDWOHSUSA-N 279.409 2.539 30 40 CFEB COc1ccccc1NC(=O)c1cccc(C#N)c1 3518692 VYGLQOMJEFXZQS-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB CS(=O)(=O)c1ccc(OCc2cccc(C#N)c2)cc1 35055575 IFPPTPFYAYTOFO-UHFFFAOYSA-N 287.340 2.541 30 40 CFEB Cc1cc(C)c(C#N)c(N(C)Cc2cc(C)on2)n1 264920997 MCVVODSCRZQPTB-UHFFFAOYSA-N 256.309 2.503 30 40 CFEB N#CCc1nc(-c2ccc3c(c2)OCCO3)cs1 128400 CFGMGRLIFAVVMY-UHFFFAOYSA-N 258.302 2.647 30 40 CFEB CCCCNC(=O)[C@@H](C#N)C(=O)c1coc2ccccc12 101112073 JUVNYGSLZOFWAX-LBPRGKRZSA-N 284.315 2.672 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F 32735988 LZKKIZRKIUSCJZ-CQSZACIVSA-N 282.290 2.956 30 40 CFEB C[C@@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(F)cc1 78673189 MZUOZLRUKUMNPE-QMTHXVAHSA-N 271.295 2.626 30 40 CFEB Cn1c2ccc(Cl)cc2c2c(C#N)c(C#N)c(N)nc21 23343469 WKSHWOLSRQPOES-UHFFFAOYSA-N 281.706 2.705 30 40 CFEB C#Cc1cc(F)c(NC(=O)N2CCO[C@H](C)[C@H]2C)c(F)c1 97048751 VTKWYSOJNBIAEO-NXEZZACHSA-N 294.301 2.587 30 40 CFEB NC(=S)N/N=C1/CCCC/C1=C/c1ccccc1 104285406 FPXMOZPLGOOXJA-FBSXDCMYSA-N 259.378 2.833 30 40 CFEB C[C@@H](O)c1ccc(-c2ccc(CNCC#N)o2)cc1 22108728 SVKNGEYORXBSNB-LLVKDONJSA-N 256.305 2.613 30 40 CFEB C=CCN/C(=N/[C@@H](C)c1cccs1)NC[C@@H]1CCCO1 72271913 NRVJHYWJUQTPLQ-STQMWFEESA-N 293.436 2.709 30 40 CFEB Cc1cc([C@H]2CCCN2c2nnc(C)c(C)c2C#N)no1 29527459 XMEDROJBGIIXDH-CQSZACIVSA-N 283.335 2.603 30 40 CFEB COC[C@](C)(C#N)NC(=O)[C@@H](C)Cc1ccccc1Cl 95436212 XQPALMPEZXYBMH-NHYWBVRUSA-N 294.782 2.563 30 40 CFEB COc1ccc(/C=N/Cn2nnc3ccccc32)cc1OC 4401881 JTDBZECTYHEMIA-LICLKQGHSA-N 296.330 2.525 30 40 CFEB COc1ccccc1NCC(=O)Nc1ccc(CC#N)cc1 15288605 SJCUBRSKKIWXDH-UHFFFAOYSA-N 295.342 2.812 30 40 CFEB CC(C)C[C@@H](C#N)NC(=O)C1=NO[C@H](c2ccccc2)C1 69653321 AIARXKDYEUCFAE-ZFWWWQNUSA-N 285.347 2.558 30 40 CFEB N#Cc1ccccc1NC(=O)Nc1ccc(O)cc1 3851011 USOBPSCYVCYQRA-UHFFFAOYSA-N 253.261 2.908 30 40 CFEB biogenic N#CC1CCN(Cc2ccc(Br)o2)CC1 79840589 BHOWLUVDELQGKU-UHFFFAOYSA-N 269.142 2.778 30 40 CFEB O/N=C/c1ccc(N2CCCc3ccccc32)nc1 72225780 PYRUHHYJKHLBLB-GZTJUZNOSA-N 253.305 2.974 30 40 CFEB CCC[C@H](C)S(=O)(=O)/N=C(\O)CCC(F)(F)F 95410950 FMWMKBLMOJQQBI-ZETCQYMHSA-N 275.292 2.804 30 40 CFEB CCOC(=O)/C(=C\c1cccc(Cl)c1)C(C)=O 5722768 XNQUEGZRSAENCP-WQLSENKSSA-N 252.697 2.876 30 40 CFEB C#CCCCCCCCC/C=C/C[C@H](O)C[C@H](O)CO 225410089 YPRUUOUDKJWVMW-YFXCHKOLSA-N 282.424 2.791 30 40 CFEB biogenic,in-vitro Cc1nc(C)c(C(=O)N(C)Cc2cccc(C#N)c2)s1 25104734 NRZUPZKPTUPBCK-UHFFFAOYSA-N 285.372 2.904 30 40 CFEB C[C@H](CN(C)c1ccc(C(F)(F)F)cc1C#N)C(=O)O 42704322 NHJNKVXAXWIPRF-MRVPVSSYSA-N 286.253 2.734 30 40 CFEB COc1ccc(OC)c(C(=O)Nc2ccccc2C#N)c1 13972673 IRVYMOKEPVGATG-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB COc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)c(OC)c1 40114042 QQGPQJICISGIIS-BQYQJAHWSA-N 286.331 2.940 30 40 CFEB O=c1[nH]c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2[nH]1 100384206 RVPWZEZWAGKIDR-OVCLIPMQSA-N 282.259 2.515 30 40 CFEB C=C(C)CN(CC)C(=O)NCc1ccc(-n2cccn2)cc1 46900634 DQXWGXNAQRTXSZ-UHFFFAOYSA-N 298.390 2.980 30 40 CFEB N#Cc1c(COC(=O)C2CCC2)cn2ccccc12 22414890 ZHUPTRHAUSGHIT-UHFFFAOYSA-N 254.289 2.654 30 40 CFEB N#Cc1ccc(COC(=O)[C@@H]2Cc3ccccc3O2)cc1 25259744 ALYOMHUKODRJFJ-INIZCTEOSA-N 279.295 2.605 30 40 CFEB Cc1noc(C)c1CC(=O)Nc1ccc(CC#N)cc1 12806422 NOHKRLMIOHFEMP-UHFFFAOYSA-N 269.304 2.539 30 40 CFEB CCOC(=O)[C@H](C#N)[C@@H]1C(C)(C)[C@H](C(C)C)C1(C#N)C#N 4599874 ZGZPVZDVNPMSIX-FRRDWIJNSA-N 287.363 2.651 30 40 CFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2ccccc21 6578420 JYKSQNFDRWFWRA-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 9530447 QLPDGXWWPGMDDD-NVNXTCNLSA-N 284.267 2.864 30 40 CFEB Cn1cc([C@@H]2CCCN2Cc2ccc(C#N)cc2)cn1 71799193 NMTAFWZXDQVWGT-INIZCTEOSA-N 266.348 2.629 30 40 CFEB COc1ccc(/C=C/c2nc(C#N)c(N(C)C)o2)cc1OC 8374357 VIAOBYCKUWQVFZ-SOFGYWHQSA-N 299.330 2.800 30 40 CFEB Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cn1)CO2 95418489 WZAUTJSLNITBGE-ZDUSSCGKSA-N 251.289 2.807 30 40 CFEB O=C(NCC#Cc1ccccc1)N1CCc2ccccc2C1 32802874 FNZGKDIVQZVYTQ-UHFFFAOYSA-N 290.366 2.806 30 40 CFEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cn1 225960815 WCCSNEQBGOJIQG-INIZCTEOSA-N 281.315 2.510 30 40 CFEB C[C@H](NC(=O)C1(C#N)CCCC1)[C@@H](c1ccccc1)N(C)C 193658210 MIKRLLNQLFXVPR-HOCLYGCPSA-N 299.418 2.878 30 40 CFEB N#Cc1c(N)sc2c1CN(Cc1ccccc1)C2 90397484 IANLNXOPGMYAJF-UHFFFAOYSA-N 255.346 2.718 30 40 CFEB C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC#N 96414361 XRIREKSMASUDHX-SNVBAGLBSA-N 284.281 2.866 30 40 CFEB CC(C)c1ccc(C[C@H](C)/C=N\NC(N)=S)cc1 5104080 WYDNEFWZWQTTCX-RCEBRVLHSA-N 263.410 2.808 30 40 CFEB C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1C/C(=N\O)[C@@H]2O 5004943 FYVXSFWTEDENGI-HQGVRUKYSA-N 299.370 2.969 30 40 CFEB CC(=O)O/N=C(/C)[C@]12CCCC[C@@H]1[C@H](O)CCC2 5412569 HOSUPCYVHWYJGB-DWQYKRDDSA-N 253.342 2.647 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 12544302 XDMXJATWOLJUAR-UHFFFAOYSA-N 288.310 2.501 30 40 CFEB Cc1nc(/N=C(\O)[C@@H]2CSc3ccccc32)n(C)n1 97374244 CTZGVEFRPCRKPQ-SNVBAGLBSA-N 274.349 2.601 30 40 CFEB Cc1nn(-c2ccccc2)c(Cn2cnc(C)c2C)c1C#N 92857023 SMCZWZPYKPEYKG-UHFFFAOYSA-N 291.358 2.914 30 40 CFEB CCn1nc(C)c(C(=O)/C=C/c2cccnc2)c1C 65594131 BWKWCCQUAXOOOL-BQYQJAHWSA-N 255.321 2.811 30 40 CFEB COc1ccc(-c2nc(C)c(C#N)c(S)n2)cc1 6760542 MBQSOXWRWWGOGF-UHFFFAOYSA-N 257.318 2.621 30 40 CFEB COCCCn1c(N)c(C#N)c2c(c1=S)CCCC2 9418426 BVISKZYHRDLEMM-UHFFFAOYSA-N 277.393 2.587 30 40 CFEB CCN(CC)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cn1 97164065 TXZASCSDUVXAMC-AWEZNQCLSA-N 294.358 2.813 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc3sncc3c2)CC1 97165718 HGMZCEGEKRQOAF-UHFFFAOYSA-N 299.399 2.580 30 40 CFEB C=C(C)COC(=O)c1ccc(CN2CCCC2=O)cc1 95946665 AXZCKGNPUQBXPW-UHFFFAOYSA-N 273.332 2.542 30 40 CFEB CC(=O)Nc1ccc([S@](=O)CCC(C)(C)C#N)cc1 123326663 NETJATJEZCPUOO-IBGZPJMESA-N 278.377 2.692 30 40 CFEB COc1ccc(SCC(=O)N[C@](C)(C#N)C(C)C)cc1 7790237 CUICCNSNXRNRSA-OAHLLOKOSA-N 292.404 2.842 30 40 CFEB CC(C)Cn1ccnc1CNc1ccc([N+](=O)[O-])cc1C#N 78336817 DOSXIFWOIXCCLJ-UHFFFAOYSA-N 299.334 2.931 30 40 CFEB CC(C)CSc1nc(N)c(C#N)c(C(F)(F)F)n1 225894361 TUNMQISFDQJGEB-UHFFFAOYSA-N 276.287 2.697 30 40 CFEB C=CC[C@@H](C)[C@H](C)NCc1ccc(S(C)(=O)=O)cc1 96476712 WLIZSHZWRWEFHS-OLZOCXBDSA-N 281.421 2.780 30 40 CFEB C=CCN(CC=C)C(=O)N[C@@H]1CC[C@@H](SC)C1 74812350 RUWXTVJRXMURMD-VXGBXAGGSA-N 254.399 2.654 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C)s1 660067217 NEUVZCIQYOUTPF-TXEJJXNPSA-N 283.418 2.928 30 40 CFEB C[C@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@@H](C)O1 13115855 DEUUDJDJZKLUJV-AOOOYVTPSA-N 289.360 2.888 30 40 CFEB aggregator CCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)F 169795731 NJGAOVQUMQTXRQ-UHFFFAOYSA-N 272.116 2.992 30 40 CFEB CSC(C)(C)/C=N/OC(=O)NC(=O)c1ccccc1 1719900 GAMRDBNXXILIPJ-NTEUORMPSA-N 280.349 2.680 30 40 CFEB CCOc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1O 19848274 HXRSITSPZNCYJT-UHFFFAOYSA-N 283.331 2.924 30 40 CFEB Cc1[nH]c2ccc(F)cc2c1C/C(O)=N/c1ncn[nH]1 23140537 HTFNCOFEQXHDKE-UHFFFAOYSA-N 273.271 2.564 30 40 CFEB C=CCN(CC=C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 56061718 GTHGHLYMQALKMM-UHFFFAOYSA-N 285.303 2.890 30 40 CFEB Cc1ccc(/N=C(\N(C)C)P(=O)(N(C)C)N(C)C)cc1 101751885 DWDOYMRXINJFMV-CCEZHUSRSA-N 296.355 2.860 30 40 CFEB CC(C)Cc1nc(C#N)c(NCc2ccncc2)o1 27020521 KFFFDBWKJRENHX-UHFFFAOYSA-N 256.309 2.752 30 40 CFEB N#CCSc1nnc(NCCc2ccccc2)s1 10771259 CNRHZCKDYFOZNH-UHFFFAOYSA-N 276.390 2.808 30 40 CFEB CCCCc1c(C)nc2nc(SCC#N)nn2c1C 48356637 TWTFUTCCCBNEIH-UHFFFAOYSA-N 275.381 2.699 30 40 CFEB O=C1Nc2ccccc2/C1=N\CCc1ccccc1 6061099 OTRCLZZTNXUAKK-UHFFFAOYSA-N 250.301 2.671 30 40 CFEB Cc1c([C@@H](NCC(=O)NCC#N)C(C)C)oc2ccccc12 96491723 HVWANANIDGRZLQ-INIZCTEOSA-N 299.374 2.668 30 40 CFEB C=CCNC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 77517854 DNHXALTUJBLSKK-UHFFFAOYSA-N 287.363 2.505 30 40 CFEB C=CCn1c(C#N)cc(N)c1Oc1ccc(OC)cc1 225884487 DEFUOSHUBFQRDB-UHFFFAOYSA-N 269.304 2.929 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@@H]12 254745027 HZCOEAIFIFURAN-NIFZNCRKSA-N 262.349 2.723 30 40 CFEB Cc1nn(-c2cc(F)ccc2Br)c(N)c1C#N 604941572 GPVBCMNMRKZYAW-UHFFFAOYSA-N 295.115 2.536 30 40 CFEB CC1(C)OB(c2ccc3ncc(C(F)F)n3c2)OC1(C)C 575629444 XHTKBBGJMAKZKF-UHFFFAOYSA-N 294.110 2.571 30 40 CFEB Cc1cc(C)c2c(C)c(C(=O)N(C)CC#N)sc2n1 84114771 YUTZHMBTRBRJKF-UHFFFAOYSA-N 273.361 2.817 30 40 CFEB CCOC(=O)CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 5574552 SNAQEOYVKJDXKG-GXDHUFHOSA-N 279.296 2.726 30 40 CFEB CCCc1nn(Cc2ccc(Cl)cc2)c(N)c1C#N 127812319 IRPKEAXVOSJHQA-UHFFFAOYSA-N 274.755 2.991 30 40 CFEB N#C[C@@H](c1ccccc1)N(C(N)=O)c1ccccc1 1595673 HKWHYCGBDQRTGS-AWEZNQCLSA-N 251.289 2.837 30 40 CFEB N#CCc1ccc(NC(=S)NCc2ccco2)cc1 7369109 MDRNROYEAXKOFP-UHFFFAOYSA-N 271.345 2.832 30 40 CFEB N#CCc1ccccc1C(=O)OCc1nnsc1Cl 23278888 ZHQATZRDTWQOCW-UHFFFAOYSA-N 293.735 2.615 30 40 CFEB Cc1n[nH]c(C)c1/C=C/C(=O)c1csc(C(=O)O)c1 106586799 OLOIFSDLEBMBIK-ONEGZZNKSA-N 276.317 2.682 30 40 CFEB N#C[C@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccccn1 106867729 FVNMADWYVYEHDR-XDQVBPFNSA-N 297.358 2.555 30 40 CFEB C=CCNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 47860712 JIDSGWQCHZHPLA-UHFFFAOYSA-N 281.306 2.873 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1cnn(C(C)C)c1 58461794 RZYGGFYNXFYDSM-GZTJUZNOSA-N 286.335 2.998 30 40 CFEB C#CCC1(C(=O)Nc2ccc(CC#N)cc2)CCC1 95444783 TZWMENKCIGAYQL-UHFFFAOYSA-N 252.317 2.885 30 40 CFEB C=CCN(C(=O)[C@H]1CCCO1)c1nc2c(s1)CCCC2 65609907 HYOVPWFYDGURCW-GFCCVEGCSA-N 292.404 2.720 30 40 CFEB C[S@](=O)c1ccccc1NC(=O)c1sccc1C#N 84115519 HOGOGZWGHGPYRL-LJQANCHMSA-N 290.369 2.609 30 40 CFEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1cccs1 7846493 PBODZZPVRHCQIR-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB C=CCn1c(N)nnc1SCc1ccc2ccccc2n1 71914305 FVDDIJYCCHVQDQ-UHFFFAOYSA-N 297.387 2.887 30 40 CFEB CCc1nnc(S)n1/N=C\C1=CC[C@H]2C[C@H]1C2(C)C 255961453 SHUBJSLWSGLJQH-BHPMVAPWSA-N 276.409 2.956 30 40 CFEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)c1ccccc1N=C2 13637150 NPEXYONTBZYZFI-UHFFFAOYSA-N 298.342 2.937 30 40 CFEB Oc1cccc(/C=N\N2CCN(Cc3ccccc3)CC2)c1 19771322 SREMFPMVDNDRHG-RGEXLXHISA-N 295.386 2.544 30 40 CFEB CC(C)=NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4836998 KJSWAMGGOBNQMF-UHFFFAOYSA-N 255.255 2.991 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2)cc1 381047 BBQLCKFJEDETJU-UHFFFAOYSA-N 290.344 2.710 30 40 CFEB COCc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 33189999 QZZXGLBMKPISKP-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 41630424 ZJLHLRGJFAMPIC-LBPRGKRZSA-N 292.404 2.756 30 40 CFEB C=CCNc1nc(N)c(C(=O)c2ccc(C)cc2)s1 4299063 UHCJHGGLQLTCRP-UHFFFAOYSA-N 273.361 2.863 30 40 CFEB C=CCn1c(=S)[nH]c2cc(Cl)ccc2c1=O 100208021 PEBBWSPQZDQLDA-UHFFFAOYSA-N 252.726 2.898 30 40 CFEB Cc1ccc(/C(COc2ccccc2O)=N\O)cc1 100916885 ZAJIEXWLBANJBI-SSZFMOIBSA-N 257.289 2.958 30 40 CFEB N#Cc1ccccc1CNc1ccccc1-n1cncn1 26784778 RICUKXQWSWFLGI-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB CC(C)CCOc1ccc(/C=N/n2cnnc2)cc1 3255259 HRSFFJDZFCTPBA-RQZCQDPDSA-N 258.325 2.585 30 40 CFEB Cc1sc2nc(S[C@H](C)C#N)n(C)c(=O)c2c1C 10025624 AMZUVKFDSXDGNV-ZCFIWIBFSA-N 279.390 2.616 30 40 CFEB COc1cc2c(cc1/C=N/Nc1ccccc1)OCO2 409053230 NFCZHTBPSNVHTH-CXUHLZMHSA-N 270.288 2.870 30 40 CFEB N#Cc1ccccc1COc1ccc(CC(=O)O)cc1 13421495 WWJKFDNTVXNXGD-UHFFFAOYSA-N 267.284 2.764 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1cnc2ccccc2n1 5455149 QMSYSHSYCIPYPJ-VCHYOVAHSA-N 288.314 2.952 30 40 CFEB COc1cc2c(cc1OC)[C@H](C)N(CCC#N)CC2 19905323 RPMIGHNAKXORLF-NSHDSACASA-N 260.337 2.537 30 40 CFEB biogenic CC(C)(C)OC(=O)[C@@H](C#N)c1cnc2ccccc2n1 526059805 KZTSTUNOPIOPOB-JTQLQIEISA-N 269.304 2.579 30 40 CFEB C=CCOC(=O)c1snnc1-c1ccc(OC)cc1 223837191 RUHPYCAASYOCAW-UHFFFAOYSA-N 276.317 2.557 30 40 CFEB C=C(C)CN(CC)C(=O)NCc1cc(=O)[nH]c2ccccc12 85428689 XOBPQFKSXMQKRL-UHFFFAOYSA-N 299.374 2.636 30 40 CFEB CCOC(=O)CS/C(=N/c1cccnc1)SC 4039415 ICWFNFQCZZLEOH-ACCUITESSA-N 270.379 2.728 30 40 CFEB C=CCCn1ccn2nc(-c3cccs3)cc2c1=O 1888964362 LAJISSHRDSFYAE-UHFFFAOYSA-N 271.345 2.801 30 40 CFEB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 3445267 XEYJCGJAFIJQDT-CHWSQXEVSA-N 271.364 2.617 30 40 CFEB N#Cc1cccc(COc2ccc(Cl)cc2C(N)=O)c1 7022751 MIJNPGSZISILLI-UHFFFAOYSA-N 286.718 2.890 30 40 CFEB C=CCN1CCCC12CCN(C(=O)C1CC(F)(F)C1)CC2 2055824428 ULFLNZPYZSFKFD-UHFFFAOYSA-N 298.377 2.675 30 40 CFEB O=c1[nH]c2ccc(/N=C/c3ccc(F)cc3)cc2[nH]1 268307 IGSIGFQTOBXOQY-LZYBPNLTSA-N 255.252 2.746 30 40 CFEB CCOC(=O)N/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 100364372 APACOMOGYGDSLN-RUVZFTFLSA-N 251.326 2.642 30 40 CFEB N/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1 100447152 BDGHULKJYZFEBV-SDNWHVSQSA-N 251.285 2.595 30 40 CFEB CC1(C)CC(=O)C([C@@H]2OC(=O)c3ccccc32)=C(N)C1 9356263 PTJYRRSMZXIMDV-CQSZACIVSA-N 271.316 2.500 30 40 CFEB Cn1cc(/C=C/C(=O)N[C@H](C#N)C2CC2)c2ccccc21 96430963 ABOZLYPXFVYTQS-XVJNWHFHSA-N 279.343 2.610 30 40 CFEB N#CCN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)C1CC1 95404729 DDVBLALONHQGOT-SJLPKXTDSA-N 280.371 2.795 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1ccc(F)cc1 225873875 IKTFZZVUYXOQLQ-UHFFFAOYSA-N 259.284 2.528 30 40 CFEB O=C1ON=C(c2ccco2)/C1=C/c1ccc([N+](=O)[O-])cc1 32280 BPQXMWHKXFWCPN-FLIBITNWSA-N 284.227 2.532 30 40 CFEB C(=N/OCc1ccccc1)\c1ncccc1C1OCCO1 1629372 LLFWRPKMXCBPGE-WOJGMQOQSA-N 284.315 2.678 30 40 CFEB Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccco1)O2 20573663 HOBSMAHCDHPHMN-ZSOIEALJSA-N 299.326 2.971 30 40 CFEB C=CCOc1ccc(C(=O)NCCc2ccccn2)cc1 23082650 JNIJRFOCWYYULM-UHFFFAOYSA-N 282.343 2.619 30 40 CFEB CC1(C)C/C(=N\N)c2c(Nc3ccccc3)n[nH]c2C1 35618613 TWRIAIBOIPGYSV-WOJGMQOQSA-N 269.352 2.789 30 40 CFEB N#C[C@H](C(=O)COC1CCCC1)c1nc2ccccc2o1 58170933 MXQWVQHHDCODEC-GFCCVEGCSA-N 284.315 2.963 30 40 CFEB C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2C 2298620 HAYRJCSQYRZRDA-UHFFFAOYSA-N 271.316 2.675 30 40 CFEB CCOc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1O 4601737 CBAQMAAYCRRMFZ-CXUHLZMHSA-N 286.335 2.644 30 40 CFEB N#Cc1ncccc1N1CCN(c2ccccc2Cl)CC1 129856841 DTPUIOFTKGHSPO-UHFFFAOYSA-N 298.777 2.933 30 40 CFEB CCOc1ccccc1/N=C1\SCC(=O)N1CC 97964073 ITVOCONOESCCHS-YPKPFQOOSA-N 264.350 2.668 30 40 CFEB CCn1cnnc1CNc1cc(C#N)ccc1C(F)(F)F 97102082 IYPZWBDMTKBIRV-UHFFFAOYSA-N 295.268 2.801 30 40 CFEB O=C1C=C/C(=N\Nc2ccc(F)cc2)c2ncccc21 4183815 KHAVWVJKTSSTII-CPNJWEJPSA-N 267.263 2.789 30 40 CFEB COc1ccc(-n2ncc3cc(C#N)c(C#N)cc32)cc1 78547569 RFEWARBXTBSVNU-UHFFFAOYSA-N 274.283 2.777 30 40 CFEB CCc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 147719 SUJSBXZLDMPWSY-OAHLLOKOSA-N 282.347 2.718 30 40 CFEB N#C[C@H](c1ccccc1)c1nc2ccccc2[nH]c1=O 408430 JPISUJFDUFVJAO-GFCCVEGCSA-N 261.284 2.579 30 40 CFEB C/C(NC(=O)Cc1ccccc1)=C1/C(=O)C[C@H]2[C@H]1C2(C)C 107289844 XDLMQWRANBAVGO-HNICHSMRSA-N 283.371 2.864 30 40 CFEB CC(C)[C@](C)(CC(=O)Nc1sccc1C#N)C(=O)O 35148654 JHWANOFUFUHAOF-ZDUSSCGKSA-N 280.349 2.695 30 40 CFEB Cc1cc(C(=O)NCC#Cc2ccccc2)c(C)o1 57547679 JWKSTKGPULXJDZ-UHFFFAOYSA-N 253.301 2.678 30 40 CFEB N#Cc1ccc(C(=O)c2ccccc2CN2CCC2)cc1 2515603 BFMURANZQUXRSV-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB COc1ccc(/C(C)=N\Nc2nc(C)cc(C)n2)cc1 4897904 HPQOTHOMYCKDQB-PDGQHHTCSA-N 270.336 2.938 30 40 CFEB N#Cc1cccnc1N(C[C@@H](O)c1ccccc1)C1CC1 95418282 KUSBDRXSCXMYBP-MRXNPFEDSA-N 279.343 2.656 30 40 CFEB COc1c(Cl)ccc(F)c1B1OC(C)(C)C(C)(C)O1 306779393 WAVJSXDOVBDXSG-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB CCN1CCN(c2nc3c(C)ccc(C)c3cc2C#N)CC1 35290526 GYUQFSAWUFZKBU-UHFFFAOYSA-N 294.402 2.865 30 40 CFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cccs2)cc1 36618034 FNCFLSFYJBGWST-CYBMUJFWSA-N 299.351 2.922 30 40 CFEB N#Cc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nc1 37296339 UDGSLAUBNJPBJQ-UHFFFAOYSA-N 298.777 2.933 30 40 CFEB O=[N+]([O-])c1cc(/C=N/Nc2ccccc2)ccc1O 41213285 YQSVJGWFHSYBLZ-NTEUORMPSA-N 257.249 2.746 30 40 CFEB CCCCc1nc(SC(C)C)nc(N)c1C#N 225892666 VBAWLYSVDGFMTF-UHFFFAOYSA-N 250.371 2.774 30 40 CFEB Cc1[nH]ncc1CCCNc1ccc(Cl)c(C#N)n1 96429137 YUAQSQRJRCAGMP-UHFFFAOYSA-N 275.743 2.683 30 40 CFEB COc1ccc(/C=N\N=C\c2ccco2)cc1OC 5030368 FAKJCAIHVZPCKQ-CKOAPEAFSA-N 258.277 2.750 30 40 CFEB N#Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 68750 TVAGPAAYXQKMPE-XNTDXEJSSA-N 274.279 2.903 30 40 CFEB O=[N+]([O-])c1ccc(Cl)cc1N/N=C1/CN2CCC1CC2 4187745 JNQKZZZMNICXNC-VBKFSLOCSA-N 294.742 2.742 30 40 CFEB biogenic CN(CC[C@@H]1CCCCN1C)Cc1cccc(C#N)c1 32928726 OWLFLFCXFHGILN-KRWDZBQOSA-N 271.408 2.864 30 40 CFEB C=C(C)CN(CC)C(=O)C1=NO[C@@H](c2ccccc2)C1 54286754 ANLADWXEHYNJFD-OAHLLOKOSA-N 272.348 2.929 30 40 CFEB CCN(CC)C(=O)/C=C1/C(=O)[C@@]2(C)CC[C@H]1C2(C)C 103210141 ULDRIUWGHBQBBL-WKPMEBPRSA-N 263.381 2.806 30 40 CFEB Br/N=C1\C=CC=C\C1=N/Br 104224523 PMAHLJUGWPVBOX-NXZHAISVSA-N 263.920 2.614 30 40 CFEB N#CCCn1cc(/C=C/C(=O)O)c(-c2ccccc2)n1 3215418 UKWSONVCEQRDLN-BQYQJAHWSA-N 267.288 2.562 30 40 CFEB CCN1C(=O)/C(=N/Nc2ccc(C)cc2)SC1=S 103469242 LXWCMFLZXMBKOX-UVTDQMKNSA-N 279.390 2.601 30 40 CFEB CC[C@@H](CCO)CNc1ccc2cc(C#N)ccc2n1 92920803 NXOGGGLOIIHEGE-LBPRGKRZSA-N 269.348 2.927 30 40 CFEB C#CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1 71888147 KXCOFFVOFUQXRP-IRXDYDNUSA-N 292.338 2.836 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2CC(C)C2)cc1 34219070 JJRMDSSKNYDUAY-UHFFFAOYSA-N 254.351 2.746 30 40 CFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCc2ccccc2C1 221923408 SDLVVHFSNYGCQD-IQQLGFHWSA-N 256.349 2.673 30 40 CFEB C=CCN1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257292189 QKKMPFMINUJYOA-QGZVFWFLSA-N 286.419 2.932 30 40 CFEB C[C@H](Oc1cccc(C(C)(C)C)c1)/C(O)=N/S(C)(=O)=O 48486728 UQOVMNUZGZZNEU-JTQLQIEISA-N 299.392 2.668 30 40 CFEB CCN(CC)C(=O)/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245240857 ULDRIUWGHBQBBL-GZAWARLBSA-N 263.381 2.806 30 40 CFEB Cc1c(/C=C2\CCc3ccccc3C2=O)cnn1C 2756199 SSMPENLTJDTTFF-UKTHLTGXSA-N 252.317 2.941 30 40 CFEB CC[C@@](C)(C#N)NC(=O)COc1ccc(Cl)cc1 40357763 DHMXBGJWSTUFOP-ZDUSSCGKSA-N 266.728 2.527 30 40 CFEB C#CCNC(=O)c1ccc(-c2ccccc2Cl)o1 21903349 VBUCHQRPOJUXIX-UHFFFAOYSA-N 259.692 2.963 30 40 CFEB CCNc1oc(COc2ccccc2C)nc1C#N 351824 GOWPSFUSRMLKHC-UHFFFAOYSA-N 257.293 2.866 30 40 CFEB N#Cc1ccc(N[C@H]2c3ccccc3C[C@@H]2O)cc1 1695672 VEJVFBVGHOEGLV-HOTGVXAUSA-N 250.301 2.628 30 40 CFEB Cc1ccc(C(=O)/C(=C2/CCCCCN2)[N+](=O)[O-])cc1 25326581 KSFSKJGIGAFXFJ-BUHFOSPRSA-N 274.320 2.830 30 40 CFEB COc1cccc(N/C=C2/C(=O)Oc3ccccc3C2=O)c1 100561128 MYGAMBRYWGIKDK-GXDHUFHOSA-N 295.294 2.793 30 40 CFEB C[C@](C#N)(NC(=O)CNc1cccc(Cl)c1)C1CC1 36874895 ILEYDVDLRADLAV-CQSZACIVSA-N 277.755 2.560 30 40 CFEB N#CCSc1nc(-c2ccc(Br)cc2)n[nH]1 12800944 PZEPXELVYSAXDT-UHFFFAOYSA-N 295.165 2.850 30 40 CFEB C[C@H]1CCCCN1CCCNc1ncccc1C#N 19473311 PSWUTASHJLYUEA-ZDUSSCGKSA-N 258.369 2.630 30 40 CFEB C#CCN(Cc1ccc(F)cc1)C(=O)NCC(F)(F)F 65984632 AVIWZGDRXSWDIM-UHFFFAOYSA-N 288.244 2.533 30 40 CFEB N#Cc1ccc(C(=O)OCC(=O)c2ccccc2F)cc1 6638787 AHCDQCKDBVSPCF-UHFFFAOYSA-N 283.258 2.737 30 40 CFEB CC[C@H]1CCCCN1C(=O)CSc1ncccc1C#N 9366278 DIDWXXIZTBXLBV-ZDUSSCGKSA-N 289.404 2.836 30 40 CFEB CN(C)c1ccc(/C=C2C(=N\O)/C3CCN/2CC3)cc1 15952666 PMRUAVIUTNEDEG-RBPAIAKSSA-N 271.364 2.649 30 40 CFEB CC1C/C(=C\C=C\N(C)C)C(=O)/C(=C/C=C/N(C)C)C1 16133975 HZTNVWFOZYJJLD-QHWIZYIMSA-N 274.408 2.989 30 40 CFEB COc1ccc2c(c1)N[C@@]1(C=C(C)OC(C)=C1C(C)=O)O2 40545407 PDLYIJWMLCXLAZ-INIZCTEOSA-N 287.315 2.993 30 40 CFEB CC1=C(C(=O)c2ccc(C)cc2)SC2=NCCN21 41104969 VTIKKBWBZXXMTL-UHFFFAOYSA-N 258.346 2.828 30 40 CFEB Cc1nc2cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc2n1C 195561553 SVYHPTBHEWLNNA-SNVBAGLBSA-N 285.347 2.977 30 40 CFEB N#CCC(=O)NCc1cccc(OC2CCCCC2)c1 195567433 ZZUBMUSBXMRKRM-UHFFFAOYSA-N 272.348 2.928 30 40 CFEB COCc1nc(C)cc(Sc2cccc(C#N)c2)n1 96466712 RXBPDUFSFAJBPF-UHFFFAOYSA-N 271.345 2.954 30 40 CFEB C=CCCC(=O)NCCCn1ccc2cccnc21 96353295 WORGUKPTCUDTMW-UHFFFAOYSA-N 257.337 2.509 30 40 CFEB CC(C)N(CC#CCNC(=O)[C@@H]1CC=CCC1)C(C)C 75164510 SETCHEIQLZIWPR-MRXNPFEDSA-N 276.424 2.581 30 40 CFEB N#Cc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 5577291 KUJHHQBORSVDRL-UHFFFAOYSA-N 267.240 2.506 30 40 CFEB CCc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 19805144 HJNQRDUSCAIYMP-UHFFFAOYSA-N 286.356 2.921 30 40 CFEB O=C1C(=O)c2ccccc2/C1=C\c1ccc(O)cc1 5604668 BLEGRXFUPLWOTG-NTEUORMPSA-N 250.253 2.698 30 40 CFEB COC(=O)c1ccccc1OCc1ccccc1C#N 40159384 XBFKOIABCDGJRX-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB CCN(Cc1ccccc1)c1ccccc1/C(N)=N/O 20486443 QNGHSBNMRXDMFW-UHFFFAOYSA-N 269.348 2.808 30 40 CFEB C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](C)CC)CC1 78645638 VKWDGPUFYKNEAL-AWEZNQCLSA-N 281.444 2.714 30 40 CFEB CC1(C)Cc2nnsc2C2=C1C(=O)CCS2 1618491 ZBUFHXOEAZXJTM-UHFFFAOYSA-N 252.364 2.538 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C1CC1)C1CC1 22385358 YZKUTODWOPXKRM-NSHDSACASA-N 284.359 2.630 30 40 CFEB CC(C)(C)c1noc(COC(=O)c2ccc(C#N)cc2)n1 23948616 BSUMAUFTRQSGTN-UHFFFAOYSA-N 285.303 2.596 30 40 CFEB Cc1ccc(CNC(=O)c2cccc(C#N)c2)s1 48073938 RHUFBFHIQHXSAU-UHFFFAOYSA-N 256.330 2.858 30 40 CFEB Cc1nscc1C(=O)N(C)c1ccccc1C#N 97084499 VLXKMACSBKPDFC-UHFFFAOYSA-N 257.318 2.600 30 40 CFEB COc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1 5629815 LECKAULPWVVCMM-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB N#Cc1ncn(Cc2ccccc2C(F)(F)F)c1C#N 97146085 DSJZKDFFWULWHC-UHFFFAOYSA-N 276.221 2.694 30 40 CFEB CC[C@H](CO)Nc1ccc(C(F)(F)F)c(C#N)c1 95971882 WXYBIRUFRXZAFG-SECBINFHSA-N 258.243 2.760 30 40 CFEB COc1ccc(/C=N\Nc2ccc(C(=O)O)cc2)cc1 32227842 XASZGQGECHWCOV-YBEGLDIGSA-N 270.288 2.839 30 40 CFEB CCCn1nc(OCc2cc(C)ccc2C)c(C#N)c1N 225830896 QYGQATKVJSDEHQ-UHFFFAOYSA-N 284.363 2.943 30 40 CFEB C=C[C@@H](CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1 190477796 KHYZMNABCBDCGN-ZFWWWQNUSA-N 287.359 2.670 30 40 CFEB COc1ccc(C)cc1CS(=O)(=O)CCC(C)(C)C#N 95412162 ABXIYTBSQWAFAG-UHFFFAOYSA-N 295.404 2.858 30 40 CFEB CCn1c(SCCC#N)nnc1-c1ccc(OC)cc1 5853014 CEJPYLQWULXIPA-UHFFFAOYSA-N 288.376 2.979 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 6316439 UDNBRXOCWPPADQ-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB COc1cccc([C@H]2CCCC[C@@H]2OS(C)(=O)=O)c1 1706494 YUAOBYZCIKFUID-KGLIPLIRSA-N 284.377 2.698 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(F)c(F)c1F 22907344 OZDPROZSWFTSPS-AWEZNQCLSA-N 299.296 2.570 30 40 CFEB N#Cc1c(Br)cc(O)cc1Br 37594036 BWIKNENYIJXHDG-UHFFFAOYSA-N 276.915 2.789 30 40 CFEB N#CC(C#N)=NNc1ccc(SC(F)F)cc1 3171929 PUSPPSHMAUBNMT-UHFFFAOYSA-N 252.249 2.816 30 40 CFEB Cc1cccc2c1NC(=O)/C2=N\Nc1ccccc1 13132528 PCYWVEYLUIIDSS-UHFFFAOYSA-N 251.289 2.763 30 40 CFEB Cc1cc(NC(=O)Cc2ccc(C)s2)n(CCC#N)n1 49423900 SCFNLQANORZYMS-UHFFFAOYSA-N 288.376 2.656 30 40 CFEB Cc1cccc(-n2c(C)nnc2SCCC#N)c1 9316634 GUISQWDDARWNHC-UHFFFAOYSA-N 258.350 2.890 30 40 CFEB Cc1ccc(/C=C/C(=O)C(C(=O)O)=C2SCCS2)o1 62716083 YGGICUIHMMAVFK-SNAWJCMRSA-N 296.369 2.947 30 40 CFEB N#Cc1c(F)cccc1NCCCOCC1CCOCC1 77228343 CSCZIRJWYICDCX-UHFFFAOYSA-N 292.354 2.943 30 40 CFEB N#Cc1cc(CN2CCCSCC2)ccc1F 89983527 XSQNUVUAOSYEDE-UHFFFAOYSA-N 250.342 2.636 30 40 CFEB C=CCNC(=O)NCc1ccccc1N(C)C(C)C 195572201 ORZTXGNFEQHNIG-UHFFFAOYSA-N 261.369 2.516 30 40 CFEB C#CC[C@H](OC(=O)c1cncc(Br)c1)C1CC1 96456372 HVBZOGAYVKCNKK-LBPRGKRZSA-N 294.148 2.803 30 40 CFEB CC[C@@H](C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1 69508394 QWDLWUUKXWIULO-JTQLQIEISA-N 286.253 2.546 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)COC 89960216 BVDAPEDDGOECMY-LLVKDONJSA-N 275.352 2.601 30 40 CFEB N#Cc1cccc(SCC(=O)NCC2CCC2)c1 96467345 FVZMKOXKMZBLGX-UHFFFAOYSA-N 260.362 2.567 30 40 CFEB COCCNc1oc(/C=C/c2ccccc2)nc1C#N 5137329 BHCAZDWLRGPAQA-BQYQJAHWSA-N 269.304 2.775 30 40 CFEB CCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cn1 5139926 JGIOVVVMPBCGGA-CXUHLZMHSA-N 286.291 2.835 30 40 CFEB COCc1cc(C)nc(N/N=C\c2cccs2)c1C#N 15938922 QYTDUIWVQZWNJV-PXNMLYILSA-N 286.360 2.916 30 40 CFEB N#Cc1c(O)nc(-c2ccncc2)nc1-c1ccccc1 15986946 PPYLBYCMUVCZIK-UHFFFAOYSA-N 274.283 2.783 30 40 CFEB O=C1Nc2ccccc2N/C1=C\C(=O)c1ccccc1O 18099867 OFGOZHMBVXWBHL-LCYFTJDESA-N 280.283 2.523 30 40 CFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCCCCC1 7378263 YRSQMISWSFBTNW-ZDUSSCGKSA-N 271.364 2.761 30 40 CFEB N#CCCSc1nnc2sc3ccccc3n12 2360988 SYUIMZVIMVTWRJ-UHFFFAOYSA-N 260.347 2.950 30 40 CFEB CN(Cc1ccncc1)C(=O)Nc1cccc(C#N)c1 40526261 LSCNSQSCSJWPEN-UHFFFAOYSA-N 266.304 2.617 30 40 CFEB CC1=C[C@H](c2ccoc2)c2c(oc(N)c(C#N)c2=O)S1 125954 CDFOMLMBRIBFJF-SECBINFHSA-N 286.312 2.828 30 40 CFEB C=C1C[C@@]2(CCC[C@@]3(CC(=C)C(=O)O3)C2(C)C)OC1=O 1557791 MNOOTCTZYTWUSS-HZPDHXFCSA-N 276.332 2.680 30 40 CFEB Cc1ccc(-c2csc(NC(=O)CC#N)n2)cc1 6215284 YPCGNDIIQZOEHO-UHFFFAOYSA-N 257.318 2.971 30 40 CFEB Cc1ccc2c(c1)OC(=O)/C(=C/C(=O)c1ccc(O)cc1)N2 101545585 YTUWVWUXJMSQHA-ZROIWOOFSA-N 295.294 2.798 30 40 CFEB C/C(=N\N=C1\N=C(c2ccccc2)CS1)c1nonc1C 59386727 GGWNIFAWPKBLTJ-WIWSFIFXSA-N 299.359 2.694 30 40 CFEB COc1ccccc1CNCc1cccc(C#N)c1 11035052 YVJNQVCGPQUAPH-UHFFFAOYSA-N 252.317 2.857 30 40 CFEB CC(C)c1nc(OCC#N)c(C#N)c2c1COC(C)(C)C2 13726154 QECSQDFHOWTNFJ-UHFFFAOYSA-N 285.347 2.830 30 40 CFEB N#Cc1ccc(NCC(=O)NCc2ccccc2Cl)cc1 15122394 VCXRXSAKBYBRGZ-UHFFFAOYSA-N 299.761 2.940 30 40 CFEB CCC[C@@H](C#N)NC(=O)Cc1ccc(OC)cc1Cl 96472325 ZWKZINACROHHCW-NSHDSACASA-N 280.755 2.700 30 40 CFEB CC[C@@H](C#N)NC1CCN(Cc2ccccc2)CC1 31343088 XARCFSHZUKBOAM-HNNXBMFYSA-N 257.381 2.543 30 40 CFEB N#Cc1cccc(C(=O)c2cccc(C3OCCO3)c2)c1 43212524 JWAPFLUHYYSDSA-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB CCCCSc1nc(N)c(C#N)c(C(C)C)n1 225892229 LIPBMOTWMVGXEJ-UHFFFAOYSA-N 250.371 2.946 30 40 CFEB CC(C)[C@@H](C#N)NC(=O)[C@H]1CSc2ccccc21 83774596 PRECBHFHICUMTC-NWDGAFQWSA-N 260.362 2.540 30 40 CFEB C=CCNC(=S)Nc1n[nH]c2cc(Cl)ccc12 5631250 CWYIPCLRKJZMCY-UHFFFAOYSA-N 266.757 2.689 30 40 CFEB CCOC(=O)[C@@H]1OC1(c1ccccc1)c1ccccc1 1734017 JRSQCUMYEAXYBA-HNNXBMFYSA-N 268.312 2.892 30 40 CFEB N#Cc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 9377345 LRXCJKACJLNFMV-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CN(C)C[C@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 551655 BXWCXXAEFHAIBQ-KRWDZBQOSA-N 296.370 2.527 30 40 CFEB N#CCSc1nc2ccc([N+](=O)[O-])cc2s1 1818727 FTXIWKDAIMICCP-UHFFFAOYSA-N 251.292 2.820 30 40 CFEB COc1cc(Cn2cnc(C#N)n2)ccc1SC(F)F 58392514 VXKHMAGTGLERLH-UHFFFAOYSA-N 296.302 2.521 30 40 CFEB N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 10752653 YWGUHLNWUXGOBK-INIZCTEOSA-N 298.367 2.524 30 40 CFEB CCCCCCCCOC(=O)NCCSC(=N)N 104364901 WFAZSMGLZYRUGH-UHFFFAOYSA-N 275.418 2.700 30 40 CFEB N#CCCNC(=O)CSc1ccc(Br)cc1 11341060 FPSXKZBOPCGBCA-UHFFFAOYSA-N 299.193 2.571 30 40 CFEB CC(C)(C#N)C(=O)Nc1cc(Cl)cc2c1OCC2 97147394 KULNDNREADTSAA-UHFFFAOYSA-N 264.712 2.763 30 40 CFEB C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H](SC)C1 74812353 RUWXTVJRXMURMD-NEPJUHHUSA-N 254.399 2.654 30 40 CFEB C#CCOc1ccc(/C=C/C(=O)O)cc1Br 33737308 SJQIVQHTIOLPTH-GQCTYLIASA-N 281.105 2.559 30 40 CFEB CCOC(=O)c1c(C)oc2cc(C#N)c(C#N)cc12 36559094 KJHWSQHPDJJDNT-UHFFFAOYSA-N 254.245 2.661 30 40 CFEB CC(C)Oc1c(N)cc(C#N)n1Cc1ccccc1 225874903 ZNRJMYHILJSSLO-UHFFFAOYSA-N 255.321 2.777 30 40 CFEB Cc1c(Br)cnc(N)c1C#C[Si](C)(C)C 238510931 GDZPXFZMRBTNDX-UHFFFAOYSA-N 283.245 2.964 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccs1 96055226 VSZBKTQLRKUARG-CWRNSKLLSA-N 293.432 2.930 30 40 CFEB CC(C)(CCC#N)CN[C@H]1CCN(c2ccccn2)C1 96494397 KSANQNHXXDNNPB-AWEZNQCLSA-N 272.396 2.580 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)c1ccccc1Cl 3124237 VWMUVDAIHZXEKM-SSZFMOIBSA-N 275.691 2.938 30 40 CFEB C=C(C)[C@H]1COc2c(cc3ccc(=O)oc3c2OC)O1 14615896 UKSGFFQLAZFFBP-LLVKDONJSA-N 274.272 2.518 30 40 CFEB biogenic,in-vitro Clc1cccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)c1 16399055 GOQJOYJFHLJSHI-VGOFMYFVSA-N 288.698 2.559 30 40 CFEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1cccs1 70502 LVTVMSGQULSSKH-XSHGTHSTSA-N 286.447 2.746 30 40 CFEB CC[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1F 40357819 QANQIAXQOUOQKD-LBPRGKRZSA-N 254.692 2.901 30 40 CFEB COc1ccccc1C/C(=N\O)c1ccc(O)cc1O 100481596 DVOIDMGLKRJTAK-DTQAZKPQSA-N 273.288 2.527 30 40 CFEB O=[N+]([O-])c1cccc(COc2ccc(/C=N/O)cc2)c1 107830434 QOFWWXSPJMYEGC-OQLLNIDSSA-N 272.260 2.982 30 40 CFEB CCn1c(=O)n(Cc2ccc(C#N)cc2)c2ccccc21 14248354 RBSANMZMMGWLHU-UHFFFAOYSA-N 277.327 2.743 30 40 CFEB C[C@H]1CCc2ccccc2N1CC(=O)NC1(C#N)CCCC1 7619050 UFRWPCWRZGASGV-AWEZNQCLSA-N 297.402 2.780 30 40 CFEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 7785652 GSLDXHAZOMLTON-UHFFFAOYSA-N 279.343 2.629 30 40 CFEB CC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 69700566 OUNXDNQANPREGP-COPLHBTASA-N 262.378 2.969 30 40 CFEB C=CCNC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 8747028 FFJAVICXRNRDKU-UHFFFAOYSA-N 293.798 2.666 30 40 CFEB Cc1ccccc1CNC(=O)COc1ccccc1C#N 18832317 ZBXCBHJULMNDED-UHFFFAOYSA-N 280.327 2.562 30 40 CFEB N#Cc1c(N)c(C(=O)Nc2ccccc2)n2ccccc12 32603906 ZKWBSJXLVORWPS-UHFFFAOYSA-N 276.299 2.645 30 40 CFEB C#CCOc1c(Cl)cc(/C=N/O)cc1OCC 139659610 RBMKMJJGCQITFJ-RIYZIHGNSA-N 253.685 2.559 30 40 CFEB Cc1ccc(C#N)cc1OCCO[C@H]1CCCCO1 194718421 SIWUOVWEDYJPHB-HNNXBMFYSA-N 261.321 2.789 30 40 CFEB CSc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 514251807 ZTEDPWHSFNMEOU-UHFFFAOYSA-N 268.162 2.847 30 40 CFEB C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 96182339 LJXQYLGPDVMGNL-SJORKVTESA-N 284.403 2.557 30 40 CFEB CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1 675081436 CIXQCBUWDWASOG-UHFFFAOYSA-N 297.591 2.821 30 40 CFEB COCCN(CCC#N)Cc1cc(Cl)nc(Cl)c1 72689638 QKJSNMAXFBUBMH-UHFFFAOYSA-N 288.178 2.750 30 40 CFEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OC 208771337 OWTVWYHQZOBXAT-RUDMXATFSA-N 281.695 2.673 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccccc2F)c1 41636807 FYJMMBMSXXRNMJ-UHFFFAOYSA-N 253.276 2.988 30 40 CFEB CC(C)[C@H]1CC[C@@H](C)[C@@H](C(C#N)(C#N)C(C#N)C#N)C1=O 4481967 RXUGENCIFOVTBC-MRVWCRGKSA-N 282.347 2.571 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)NCc1ccco1 58453728 JIKZKPLZECMATI-UHFFFAOYSA-N 255.277 2.781 30 40 CFEB O=C1C(=C2C(=O)c3ccccc3C2=O)Nc2ccccc21 100429504 XXSJHAICOWNQBL-UHFFFAOYSA-N 275.263 2.628 30 40 CFEB biogenic C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1O 409077944 GMJFJXXHNGFCGE-JYRVWZFOSA-N 287.315 2.836 30 40 CFEB C=CCNC(=O)CSc1nc(C(F)F)cc(C)c1C#N 6275811 YHLGXIJTWKVRMT-UHFFFAOYSA-N 297.330 2.594 30 40 CFEB C=CCN/C(S)=N/N=C/c1cccc(OC(C)C)c1 5237089 UERSWQNCHRNJIG-MHWRWJLKSA-N 277.393 2.869 30 40 CFEB C#CCN(C(=O)c1cnc2onc(C)c2c1)C1CCCCC1 65778222 UFXRYCFYVDIEKL-UHFFFAOYSA-N 297.358 2.939 30 40 CFEB COc1cccc(CC(=O)N[C@H](C#N)c2ccccc2C)c1 66405251 VGQHUTIUQRAKFB-QGZVFWFLSA-N 294.354 2.927 30 40 CFEB C/C(=N/N=C/c1ccccc1O)c1ccccc1O 5789293 JJTNJEVKKPKKLH-VUTUTYQISA-N 254.289 2.941 30 40 CFEB COc1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cn1 8657206 CLIMDAFLBKYCTG-UHFFFAOYSA-N 294.310 2.855 30 40 CFEB Cn1cc(/C(N)=N/OCc2ccc(C(C)(C)C)cc2)cn1 84284416 ADEJBMSPLSPZEW-UHFFFAOYSA-N 286.379 2.555 30 40 CFEB CC(C)N(C)C(=O)[C@@H](C)Sc1cccc(C#N)c1 89856815 DJVUGDPGGZULQR-LLVKDONJSA-N 262.378 2.906 30 40 CFEB COc1ccc(OC)c(C(=O)OCc2cccc(C#N)c2)c1 5216787 NIIQTRHIUIBDDT-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB C=CCNC(=S)Nc1ccc(OC(C)C)cc1 14569195 TYPABZWWRFQPHR-UHFFFAOYSA-N 250.367 2.946 30 40 CFEB NC(=O)[C@@]1(c2ccccn2)O[C@H]1c1cccc2ccccc12 162571 XXMRRXBBQWOURU-WMZOPIPTSA-N 290.322 2.687 30 40 CFEB C=CCCC(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 217552301 MPNNDMNVABKFKY-KRWDZBQOSA-N 285.343 2.641 30 40 CFEB C[C@@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCCC1 24685415 NULKGOGGYJSEQB-AWEZNQCLSA-N 285.391 2.632 30 40 CFEB O/N=C(\C1=NCc2ccccc2N1)c1ccccc1 102595882 PSRNWCSJFXHJSI-JXAWBTAJSA-N 251.289 2.889 30 40 CFEB N#CCN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 26459068 BZGORXDNFNFXAU-LBPRGKRZSA-N 298.173 2.920 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)OCO2 58364025 BMVJNUMBAMCSBY-UHFFFAOYSA-N 287.237 2.606 30 40 CFEB CN(C(=O)c1cc2c(s1)CCC2)C1(C#N)CCC1 58368440 KUVIMUJHBDVHAB-UHFFFAOYSA-N 260.362 2.755 30 40 CFEB O/C(CN1CCC[C@H]1c1ccccc1)=N\c1nncs1 45810657 UEEMYCVKSYOTGE-LBPRGKRZSA-N 288.376 2.963 30 40 CFEB N#Cc1ccc(N/N=C/c2ccccc2)c([N+](=O)[O-])c1 4519745 ZVONVOUSOJOKNU-MHWRWJLKSA-N 266.260 2.912 30 40 CFEB Cc1ccc(/C=N/c2cccc(S(=O)(=O)N(C)C)c2)o1 4979559 MZRDRAICHSTWRG-XNTDXEJSSA-N 292.360 2.589 30 40 CFEB Cc1csc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1 7196022 ARFJHSWHNLUCHC-ZWNOBZJWSA-N 297.449 2.987 30 40 CFEB C[C@@H]([C@@H](C)NCc1ccc(C#N)cc1F)n1cccn1 69952172 XJTFYQLZGDFISY-NEPJUHHUSA-N 272.327 2.633 30 40 CFEB Cc1cccc([C@H]2C[C@@H]2C(=O)OC2CCN(CC#N)CC2)c1 89669413 IYUDAESKVGGRGG-SJORKVTESA-N 298.386 2.630 30 40 CFEB CC1(C)CN(CCC#N)[C@@H](c2ccc([N+](=O)[O-])cc2)O1 31669931 HLMWNKZIYMIAKL-CYBMUJFWSA-N 275.308 2.618 30 40 CFEB C#CC(C)(C)[C@H](C(=O)OC)c1ccccc1[N+](=O)[O-] 98064818 BCPOLGSOZICWBQ-LBPRGKRZSA-N 261.277 2.511 30 40 CFEB N#Cc1c(F)cccc1NCCc1n[nH]c(-c2ccco2)n1 75140742 ROEONPXPAFSTPV-UHFFFAOYSA-N 297.293 2.730 30 40 CFEB C[C@H]1C/C(=N\OC(=O)c2ccc(F)cc2)[C@H](C)CN1C 5027504 BBOGVVJGROGHRN-YPLHQEGJSA-N 278.327 2.699 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/C[C@H]1COc2ccccc2O1 16849511 SSXIJBLVEYDTHT-YRUBURHZSA-N 298.298 2.854 30 40 CFEB COc1ccc(Nc2nnc(SCC#N)s2)cc1 3531847 AJIKMNOGNPXASA-UHFFFAOYSA-N 278.362 2.906 30 40 CFEB COc1cc(C#N)ccc1OCc1nccn1C(F)F 9366952 DWTZRXZLYMMMFS-UHFFFAOYSA-N 279.246 2.737 30 40 CFEB O=C1C(=CNc2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 100025635 DCVKDOPQMOQGGY-UHFFFAOYSA-N 294.266 2.970 30 40 CFEB CCOC(=O)[C@@H](C)Sc1nc(C)c(C(C)=O)cc1C#N 495526 AGCGTUGETPJQDZ-SNVBAGLBSA-N 292.360 2.508 30 40 CFEB COc1cccc(Oc2ccc(C)c[n+]2CC(C)=O)c1 1578690 QWNFIWXWQHSHHL-UHFFFAOYSA-N 272.324 2.672 30 40 CFEB CC1(C)CCC[C@@]2(C)C(OCCO)=CC(=O)C=C12 1601686 SYLWVYMFAMXUDF-OAHLLOKOSA-N 250.338 2.605 30 40 CFEB C=CCOC[C@@H](O)CSc1nc2ccccc2s1 23115238 PRDWVBHXUHCRJB-SNVBAGLBSA-N 281.402 2.952 30 40 CFEB CC(C)(C#N)C(=O)OCc1nc2ccccc2s1 54899628 RVDIIYRHLMOCJZ-UHFFFAOYSA-N 260.318 2.889 30 40 CFEB N/C(=N\OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105264896 JVIFVEGWXZKIQP-FPMFFAJLSA-N 272.348 2.676 30 40 CFEB COc1ccc(CN/N=C/c2ccc(O)cc2)cc1OC 20195698 UVPXPHRUJOTANY-LICLKQGHSA-N 286.331 2.533 30 40 CFEB CCOC(=O)CCCCC(=O)c1ccc(C#N)cc1 2379000 OHZSJHBHJXDWBR-UHFFFAOYSA-N 259.305 2.864 30 40 CFEB C/C(=N/N=c1\[nH]c(C)c(C)s1)c1ccc([N+](=O)[O-])cc1 13132646 DVOGJPWCPGSLQT-DHDCSXOGSA-N 290.348 2.926 30 40 CFEB Cn1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cn1 6828138 CNLFFJWRROFMBD-FARCUNLSSA-N 278.258 2.918 30 40 CFEB C=CCn1c(SCC#N)nnc1-c1ccoc1C 6911835 OINDOXBGMNOCDC-UHFFFAOYSA-N 260.322 2.648 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc3cn[nH]c3c2)c(F)c1 25791446 PMIDZWANIFAOIC-UHFFFAOYSA-N 295.273 2.931 30 40 CFEB C/N=C(/NCc1ccccn1)N[C@H](C)CCc1ccccc1 75611845 YVESABPWJXGYRE-OAHLLOKOSA-N 296.418 2.768 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(F)c1 36619635 UARXZOHVNJYRCN-ZDUSSCGKSA-N 277.295 2.520 30 40 CFEB C=C1C[C@H](C(=O)OCC)N(C(=O)OCc2ccccc2)C1 71789986 QRYJTBYZQXCSJW-CQSZACIVSA-N 289.331 2.517 30 40 CFEB C=C(C)CN(CC)C(=O)c1cccc(OC)c1OC 57157923 QMBLPZLIJBEHJJ-UHFFFAOYSA-N 263.337 2.742 30 40 CFEB C[C@H](O)CCNc1ccc(Br)cc1C#N 96008464 BWUURMBLICAHDT-QMMMGPOBSA-N 269.142 2.504 30 40 CFEB N#Cc1sc2[nH]c(=O)c(-c3cccs3)cc2c1N 16430720 YZXIVXLLGAJDNY-UHFFFAOYSA-N 273.342 2.772 30 40 CFEB Cc1cc2c(cc1O)C1=CC(=O)[C@H](O)C(C)(C)[C@H]1CC2 225417124 SWKZYBLWKLLDHI-BBRMVZONSA-N 272.344 2.616 30 40 CFEB biogenic,in-vitro CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(Cl)c1 30285502 RQARBRUVIGRNJU-CQSZACIVSA-N 279.771 2.806 30 40 CFEB C#CCNC(=O)c1ccc(-c2ccc(F)cc2)s1 21903359 WLDKSHXRIZSUPX-UHFFFAOYSA-N 259.305 2.917 30 40 CFEB Cc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)c(O)c1 547331 XDKDKDHDQFTFRV-VCHYOVAHSA-N 293.326 2.601 30 40 CFEB COc1ccccc1[C@@H]1CCCC[C@H]1OS(C)(=O)=O 1706501 CDHJSKARSRJTES-GXTWGEPZSA-N 284.377 2.698 30 40 CFEB CN(/N=C/c1sc(=O)[nH]c1Cl)c1ccccc1 4350382 UURCMSWAGMDIOR-NTUHNPAUSA-N 267.741 2.560 30 40 CFEB Cc1csc([C@H](C#N)C(=O)CSc2ccccn2)n1 23105082 OWSMJVJRPXHAAT-SNVBAGLBSA-N 289.385 2.815 30 40 CFEB Cc1c(/C=C/C(=O)c2cccc(O)c2)cc(C#N)n1C 12586067 SBOGATCXKAAXNT-VOTSOKGWSA-N 266.300 2.807 30 40 CFEB C=CCN(Cc1cccs1)C(=O)c1cc(C)on1 58393238 IUOCSQGJBXEDET-UHFFFAOYSA-N 262.334 2.873 30 40 CFEB Cc1cc(C)nc(N/N=C2/C(O)=Nc3ccc(F)cc32)n1 7891198 MLBSMRLCQNHNLV-UHFFFAOYSA-N 285.282 2.650 30 40 CFEB CN(Cc1ccccc1)CC1CCN(CCC#N)CC1 69486566 HXVYSUWNORXQNE-UHFFFAOYSA-N 271.408 2.744 30 40 CFEB N#C[C@H]1CCCC[C@H]1OC(=O)c1cccc(-c2nnco2)c1 95942866 RYWQRKFMQKFUID-ZIAGYGMSSA-N 297.314 2.976 30 40 CFEB C=CCN(CC=C)C(=O)N[C@H]1CC[C@@H](SC)C1 74812346 RUWXTVJRXMURMD-NWDGAFQWSA-N 254.399 2.654 30 40 CFEB CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)C#N)C1 75136970 QBRKPSSOSYHGRX-CYBMUJFWSA-N 279.428 2.553 30 40 CFEB N#Cc1cc(CN2CCC[C@@H]2c2ccc(O)nn2)ccc1F 528787068 FHWFNOFQQYMECQ-OAHLLOKOSA-N 298.321 2.530 30 40 CFEB COc1ccc(C(=O)/C=C\Nc2ccccn2)cc1OC 4903106 VRESFBYGXFWLPU-NTMALXAHSA-N 284.315 2.907 30 40 CFEB N#Cc1cnn(Cc2ccccc2)c1Br 218306530 NEXFVBBZUFIPOD-UHFFFAOYSA-N 262.110 2.566 30 40 CFEB Cc1cc([C@@H](O)CCNC(=O)c2cccc(C#N)c2)c(C)o1 85561256 DXJLKRCHALAUNZ-INIZCTEOSA-N 298.342 2.622 30 40 CFEB N#Cc1ccc(C(F)(F)F)c(NCCCn2ccnn2)c1 97096780 QQZDSKZFEVBIGC-UHFFFAOYSA-N 295.268 2.671 30 40 CFEB C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2Cc1ccc(CC)o1 96186253 ZDQWZKXHYFXURY-HOTGVXAUSA-N 288.391 2.593 30 40 CFEB C[C@@H](Sc1cccs1)C(=O)N(C)CCC#N 96409111 XLPVNJYPWZSLKY-SECBINFHSA-N 254.380 2.601 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@@H](OC1CCCC1)c1ccccc1 96403472 MWKJWPRZHRZDAH-ZDUSSCGKSA-N 297.376 2.603 30 40 CFEB OCCOCCCC(F)(F)C(F)(F)C(F)(F)F 1565659617 CHUUWWLOPCPUAN-UHFFFAOYSA-N 272.160 2.608 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(O)n[nH]c1N2 18195430 XVNIFNKBDKTPRL-LBPRGKRZSA-N 281.315 2.680 30 40 CFEB COc1ccc(OCCOC(=O)c2ccc(C#N)cc2)cc1 3529628 HZIUOKLMQVCAMG-UHFFFAOYSA-N 297.310 2.803 30 40 CFEB CN(CC(=O)Nc1ccccc1C#N)Cc1ccsc1 12926660 YFHMMXXBPQFGKF-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB CC(C)(C#N)c1cc(Cn2nccn2)cc(C(C)(C)C#N)c1 584577121 AGSIPQUPAPIENN-UHFFFAOYSA-N 293.374 2.929 30 40 CFEB COc1cc(OC)cc(C(=O)Nc2ccccc2C#N)c1 2659624 MHACGVUGNVKQEF-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB Cc1ccc(C#N)c(SCCN2CCCCC2)n1 4734555 OYSWWWNBULNPBV-UHFFFAOYSA-N 261.394 2.840 30 40 CFEB COC(=O)c1ccoc1CN(C#N)c1ccc(F)c(C#N)c1 96455732 HSUCBZWVAYXPIE-UHFFFAOYSA-N 299.261 2.565 30 40 CFEB C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 12418045 OTOMIICXPNUNMN-PHIMTYICSA-N 264.756 2.821 30 40 CFEB Cc1ccc(NC(=O)[C@H](C#N)C(=O)CC(C)C)cc1 103503783 FVPHDPRRBRVFFQ-CYBMUJFWSA-N 258.321 2.689 30 40 CFEB Cc1cc(NC(=O)CCc2ccccc2)n(CCC#N)n1 54537858 CFTZWZSBHHXGMR-UHFFFAOYSA-N 282.347 2.677 30 40 CFEB Cc1ccc(-c2n[nH]c(/N=C(\O)COCC3CC3)n2)s1 58299373 UPEAHPNARLURED-UHFFFAOYSA-N 292.364 2.856 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 58341126 DPBPRSLELIBHHM-OAHLLOKOSA-N 254.333 2.895 30 40 CFEB COc1cccc(CN(C)c2ncccc2C#N)c1OC 12815133 OEOIWYHLGWNSDT-UHFFFAOYSA-N 283.331 2.607 30 40 CFEB N/C(=N\OC(=O)Cc1cccs1)c1ccc(Cl)cc1 3905229 AUTVACUUHKYOTB-UHFFFAOYSA-N 294.763 2.808 30 40 CFEB CCOC(=O)Cc1csc(N/N=C/c2ccccc2)n1 16956950 HYCVXYSPKQNDFC-OQLLNIDSSA-N 289.360 2.695 30 40 CFEB COc1ccccc1CN1C(=O)/C(=N\O)c2cc(C)ccc21 39853906 ZAHYCPPIBIKQNI-VLGSPTGOSA-N 296.326 2.729 30 40 CFEB C#CCOc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1 36359505 ZSBCENWWULPUHX-LLVKDONJSA-N 299.355 2.861 30 40 CFEB CCC[C@@H](C)S(=O)(=O)/N=C(\O)CCC(F)(F)F 95410949 FMWMKBLMOJQQBI-SSDOTTSWSA-N 275.292 2.804 30 40 CFEB C=CCOc1sc(C(=O)OC)c(O)c1Br 96511004 BBDFFXAULUZHKS-UHFFFAOYSA-N 293.138 2.568 30 40 CFEB CC1(C)OB(c2cccc3[nH]cc(F)c23)OC1(C)C 606303092 DFPITJROFXSRGI-UHFFFAOYSA-N 261.105 2.606 30 40 CFEB C=CCc1ccccc1OC[C@@H](O)C[N+](C)(C)C(C)C 5003995 LTPNWBALAIEAHJ-INIZCTEOSA-N 278.416 2.640 30 40 CFEB CN(C)c1ccc(CNc2ccccc2C#N)cn1 32830020 JGRAVLOLAXJAAS-UHFFFAOYSA-N 252.321 2.631 30 40 CFEB N#Cc1ccc(OCc2nc(-c3ccncc3)no2)cc1 1426581 KLAXCJKRZBMFRX-UHFFFAOYSA-N 278.271 2.582 30 40 CFEB N#Cc1cccnc1NCc1ccccc1-n1cccn1 40495715 OOAXFPNDJHABKZ-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB C[C@@H]1CN([C@@H](C#N)c2cccc(Cl)c2)CCO1 41097133 KGXYJGMYSZEBFK-MFKMUULPSA-N 250.729 2.625 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=O)[C@@H](C#N)[C@H]2c1ccccc1 493825 NGUXDLYFLLKSTH-SWLSCSKDSA-N 294.354 2.683 30 40 CFEB CCOC(=O)C1=C(C(C)=O)CSC(c2ccccc2)=N1 1618118 BHXYIJHCGWYOQN-UHFFFAOYSA-N 289.356 2.586 30 40 CFEB CCc1ccc2c(c1)c1nnc(SCC#N)nc1n2C 4856321 XHFARVAKNIYOOM-UHFFFAOYSA-N 283.360 2.695 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@H]4CC[C@@H]4[C@H]23)cc1 101046580 PWROZVJTPAXOPA-AHDPXTMNSA-N 278.373 2.745 30 40 CFEB Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)nc1 10165691 GAAAKJLZMNPUJL-UHFFFAOYSA-N 265.316 2.833 30 40 CFEB CC(C)(C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 58393795 IZUHALLNUGMLAX-INIZCTEOSA-N 299.418 2.707 30 40 CFEB C[C@H]1CCC/C(=C\NCc2ccc3c(c2)OCO3)C1=O 105885385 UDHICCNJSAIPGR-GJSJWPQCSA-N 273.332 2.778 30 40 CFEB CCOc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1 5110505 MQLAWDIRWBTGRI-GIJQJNRQSA-N 286.331 2.737 30 40 CFEB C=CCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1 5617976 OKQYTWMZMJUIHX-UHFFFAOYSA-N 275.739 2.750 30 40 CFEB C[C@H](NCC(=O)NC1(C#N)CCCC1)[C@H](C)c1ccccc1 97110048 CENMEDFABCGRCH-GJZGRUSLSA-N 299.418 2.721 30 40 CFEB COc1ccc(/C=N\Nc2nc3ccccc3[nH]2)cc1O 29650644 ZVXCADMKGPOAJA-SXGWCWSVSA-N 282.303 2.723 30 40 CFEB N#Cc1ccc(F)c(CNc2ccc(-n3cncn3)cc2)c1 96453330 UNFXHXOHEKRFLB-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB CSc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 204227133 MMSBPHFBEMUIHR-UHFFFAOYSA-N 286.152 2.986 30 40 CFEB CN(C)C[C@H](NCc1cccc(C#N)c1)c1ccccc1 20129299 AFZYVDAOYQBPSE-SFHVURJKSA-N 279.387 2.951 30 40 CFEB Cc1ccc(NCCCNc2nnc(C)c(C)c2C#N)nc1 40555560 XIOYNHWSDHKCJF-UHFFFAOYSA-N 296.378 2.583 30 40 CFEB N#Cc1ccc(-c2ccc(OC[C@@H]3CNC(=O)O3)cc2)cc1 268992 JUTGEQSSNQKFHI-INIZCTEOSA-N 294.310 2.712 30 40 CFEB Cc1cc(C)n(C[C@@H](C)CNCc2cccc(C#N)c2)n1 47748321 NUMQSPLVMSGGNW-ZDUSSCGKSA-N 282.391 2.798 30 40 CFEB C#CCNC(=O)c1csc(-c2ccc(Cl)s2)n1 57383825 LOGPGCHOBHEAJN-UHFFFAOYSA-N 282.777 2.888 30 40 CFEB CC(C)c1nc(C#N)c(NC[C@@H](c2ccco2)N(C)C)o1 27664469 NMFDIZYSAUDQNG-LBPRGKRZSA-N 288.351 2.977 30 40 CFEB COc1ccc(/N=C2/C(=O)N(C)c3ccccc32)cc1 5525826 JWDGSAISZIKHKI-BMRADRMJSA-N 266.300 2.792 30 40 CFEB CCC[C@H](C#N)NC(=O)/C=C/c1cn(C)c2ccccc12 96430817 HCHUZNIAIHSWES-ATWMFIQVSA-N 281.359 3.000 30 40 CFEB N#Cc1ccccc1CN(CCO)Cc1ccsc1 69528179 GNJVVXPUUJAGLQ-UHFFFAOYSA-N 272.373 2.614 30 40 CFEB C[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2ncnn21 18197842 DMNHAIQKORFNEL-IUCAKERBSA-N 286.360 2.727 30 40 CFEB N#Cc1cc(F)ccc1CN1CCC[C@H]1Cn1cccn1 69950231 QHVVTSDDCQIMPC-INIZCTEOSA-N 284.338 2.558 30 40 CFEB C=CCn1c(SCC(=C)C(=O)OCC)nnc1C1CC1 95959608 CBCIGNMTLMCRTR-UHFFFAOYSA-N 293.392 2.553 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)c1ccc[nH]1 89960229 IVOFIKKAXMWSSS-UHFFFAOYSA-N 268.320 2.961 30 40 CFEB COCCCn1ccc(Nc2ncc(C#N)cc2Cl)n1 78334438 WPUXJAFDJIUONP-UHFFFAOYSA-N 291.742 2.583 30 40 CFEB CCCn1nc(Cc2ccc(C)cc2)c(C#N)c1N 225830616 JYGDIPAJBDJZQG-UHFFFAOYSA-N 254.337 2.646 30 40 CFEB CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1 48373736 YNGGYUBUIRWUBC-UHFFFAOYSA-N 280.327 2.887 30 40 CFEB C=C(Br)Cc1ccc(C(=O)OCC)o1 43209556 RXPZYRNYSLMGEA-UHFFFAOYSA-N 259.099 2.907 30 40 CFEB C[C@H](OC(=O)c1cccc(C#N)c1)c1nccs1 80338627 BHYUBDMDWSHKKO-VIFPVBQESA-N 258.302 2.933 30 40 CFEB N#Cc1ccc(N(CCO)Cc2cccnc2)cc1Cl 96456230 BNBMOHQBZNDTTN-UHFFFAOYSA-N 287.750 2.606 30 40 CFEB CCN(CC)C(=O)CSCc1ccc(F)cc1C#N 89967663 HTAIOCMBPNQYBB-UHFFFAOYSA-N 280.368 2.799 30 40 CFEB N#Cc1ccc(NC[C@@H]2CCC=CO2)c([N+](=O)[O-])c1 96600905 IGLWLAZCKOKNGI-NSHDSACASA-N 259.265 2.571 30 40 CFEB N/N=C(C(=N\N)\c1ccccc1)/c1cccc2ccccc12 100368608 OAICTEQGENJXQD-CAFBOWOJSA-N 288.354 2.866 30 40 CFEB COc1ccc(/C=C\C(=O)[C@]23CCC[C@H]2O3)cc1OC 575114731 VGHKTVMADWRSIB-AJKQWTFCSA-N 274.316 2.608 30 40 CFEB CC1(C)Cc2ccccc2/C(=N/N=C/c2ccco2)N1 334215 BVVLNTYLUCMTLT-GZTJUZNOSA-N 267.332 2.985 30 40 CFEB CN1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccc(F)cc1)C2 191120 HKNFHJJJEKBKHW-OKILXGFUSA-N 276.311 2.595 30 40 CFEB O=C1c2ccccc2N[C@@H](c2ccccc2F)N1O 374817 CIEPWGHZSVLFOH-CYBMUJFWSA-N 258.252 2.781 30 40 CFEB CN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)C#N)c1 71972720 LHXMGQDNAHCUKS-UHFFFAOYSA-N 293.754 2.530 30 40 CFEB CCC(NC)=C1C(=O)CC(c2ccccc2)CC1=O 100551747 YOQUBKVXJKYEPW-UHFFFAOYSA-N 257.333 2.586 30 40 CFEB CC(=O)Oc1ccc(C(=O)c2cccc(C#N)c2)cc1 43209933 PPTJMDPDFOYEOR-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB COC(=O)c1ccccc1CS/C(=N/C#N)SC 103742458 HYNUSRDVEHDVOO-WYMLVPIESA-N 280.374 2.906 30 40 CFEB C=CCO[C@@H]1C[C@H]2C[C@H]1N(C(=O)c1sccc1C)C2 107049288 FQXGJQMFLOYLDY-JHJVBQTASA-N 277.389 2.862 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102010779 JVIFVEGWXZKIQP-BNOWGMLFSA-N 272.348 2.676 30 40 CFEB N#Cc1cccc(COC(=O)c2ccccc2[N+](=O)[O-])c1 24964256 MNWYPOAXVUJVTE-UHFFFAOYSA-N 282.255 2.823 30 40 CFEB COc1ccc2ccccc2c1/C=N/n1cn[nH]c1=S 6093375 RIOZBVFTUFNPAQ-LZYBPNLTSA-N 284.344 2.985 30 40 CFEB CNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 5199642 OYXITIFKFHPWCG-UHFFFAOYSA-N 296.286 2.760 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C 9482252 OOIYKSXXEVEFSP-STQMWFEESA-N 272.348 2.727 30 40 CFEB Cc1cscc1C(=O)NC1(C#N)CCSCC1 95440080 CSVAHWLQGFSZDV-UHFFFAOYSA-N 266.391 2.576 30 40 CFEB N#Cc1nccnc1N[C@H]1CCOC2(CCCCC2)C1 95425706 CMYAIYFPHYJTTR-LBPRGKRZSA-N 272.352 2.642 30 40 CFEB COc1nc(/C=C/c2ccco2)c(C)c(C#N)c1C#N 35326424 WKBZWXXFSYXKEG-AATRIKPKSA-N 265.272 2.905 30 40 CFEB CC(C)(C)n1nc(Cc2ccc(F)cc2)c(C#N)c1N 225835278 JWWSQQMKODWUQN-UHFFFAOYSA-N 272.327 2.822 30 40 CFEB COC(=O)OCCC(F)(C(F)(F)F)C(F)(F)F 222213882 XLRDEGPBWUDGIZ-UHFFFAOYSA-N 272.116 2.992 30 40 CFEB COC[C@H](Nc1ccc(C#N)nc1)c1ccccc1 91981381 ZHCZEBKMXFZPCH-HNNXBMFYSA-N 253.305 2.753 30 40 CFEB N#Cc1ccc(NCC(=O)N2CCc3ccccc32)cc1 9885300 KJMSTMDAKKRPLK-UHFFFAOYSA-N 277.327 2.559 30 40 CFEB Cc1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1C 30284343 BCGCGEXAYBYMCX-MRXNPFEDSA-N 271.364 2.524 30 40 CFEB C[C@](C#N)(NC(=O)CNc1ccccc1Cl)C1CC1 30283069 WOKBFEDXMRECDL-CQSZACIVSA-N 277.755 2.560 30 40 CFEB N#Cc1ccc(C(=O)NCc2cccc(F)c2)cc1 20369852 FLUJNUUBHKSBME-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB Cn1ccnc1[C@@H](Nc1ncccc1C#N)c1ccccc1 12579217 DUZIDOCQPYHFOI-HNNXBMFYSA-N 289.342 2.888 30 40 CFEB C=CCn1cnnc1S[C@H](C#N)Cc1ccc(C)cc1 57992811 UBDRWALEAWHQSR-AWEZNQCLSA-N 284.388 3.000 30 40 CFEB C#CCn1c([C@H]2CC(=O)N(CCCC)C2)nc2ccccc21 12627918 GVCTWIUPWLNSHX-AWEZNQCLSA-N 295.386 2.786 30 40 CFEB CC(C)COCCC(=O)N(CC#N)Cc1ccccc1 58281680 ZCWKTDQSCAFMJU-UHFFFAOYSA-N 274.364 2.601 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 2633502 LQWQYFDWJGIMOE-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB Cc1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)n1 97109206 XNSLNZYRJGTWPG-UHFFFAOYSA-N 280.331 2.926 30 40 CFEB N#Cc1ccc(CSc2ncn[nH]2)c(Br)c1 97232467 WOBFVXGEDSFNQC-UHFFFAOYSA-N 295.165 2.731 30 40 CFEB CC(C)N1CC[C@@H](SCc2ccc(F)cc2C#N)C1=O 89870033 UUAXDBJSWBMWLX-CQSZACIVSA-N 292.379 2.940 30 40 CFEB CCNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N 35672230 QENHAJBPTSGSIP-UHFFFAOYSA-N 258.237 2.553 30 40 CFEB C=CCN(C(=O)c1ccc(NC(C)=O)cc1)C(C)C 32809925 FYTUHXCQZXAONO-UHFFFAOYSA-N 260.337 2.682 30 40 CFEB CC(=O)C1=CC[C@H]2c3[nH]c4ccccc4c3CCN2C1 31841822 ZDOXZXFUEQNHHH-INIZCTEOSA-N 266.344 2.986 30 40 CFEB C=CCN(C)C(=O)NC[C@@H](C)c1ccc(F)c(F)c1 195570679 YDPQUEQFRSUSTI-SNVBAGLBSA-N 268.307 2.896 30 40 CFEB C[C@@H]1CN(c2nc3cc(Cl)ccc3cc2C#N)CCO1 41194157 KCRWBFPHMQNSHN-SNVBAGLBSA-N 287.750 2.985 30 40 CFEB Cc1cc(NC(=O)[C@H](C#N)Cc2ccc3[nH]ccc3c2)no1 49549276 QPYVJBBKVZWFKZ-ZDUSSCGKSA-N 294.314 2.785 30 40 CFEB CN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(C#N)c1 226280194 MYGGOHMZFOSEJB-UHFFFAOYSA-N 297.280 2.684 30 40 CFEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Cl)c1 76253929 URPHGRRCQPFTNL-LBPRGKRZSA-N 280.780 2.722 30 40 CFEB C/C(=N/NC(=S)N1CCCCCC1)c1nccs1 5503044 SKORDPZFEYSYCS-UVTDQMKNSA-N 282.438 2.618 30 40 CFEB C=CCOC1[C@H]2CCC[C@H]1CN(C(=O)C1CC(C)C1)C2 1565547642 QZKFPEPNPLHHTE-GQKFXUNGSA-N 277.408 2.862 30 40 CFEB O=C(/C=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1 13584328 DYGZKSFWHRDUCX-RMKNXTFCSA-N 254.245 2.886 30 40 CFEB in-vivo CCN(C[C@H](C)C#N)C(=O)/C=C/c1nc2ccccc2o1 40119506 SNOZEHQDMUZOTO-IDVQTMNDSA-N 283.331 2.849 30 40 CFEB CCc1ccc2nc(SCC(=O)OC)c(C#N)cc2c1 411154 OAKWZRXVJQQRMS-UHFFFAOYSA-N 286.356 2.934 30 40 CFEB C=CCn1ccc(=O)nc1SCc1ccccc1 1569487 AFTBQVRHYXCNHE-UHFFFAOYSA-N 258.346 2.722 30 40 CFEB COCCN(CCC#N)c1ncnc2cc(Cl)ccc12 79099051 JBNOLCPDHCAQRX-UHFFFAOYSA-N 290.754 2.650 30 40 CFEB FC1(F)C(F)(F)C(F)(F)[C@]2(F)O[C@@]2(F)C1(F)F 103545315 ZWSICHXNVFXDHH-WDSKDSINSA-N 278.045 2.903 30 40 CFEB COc1cccc(CNC(=O)Nc2ccc(C#N)cc2)c1 36392329 HWZOFRCHEMWSHH-UHFFFAOYSA-N 281.315 2.889 30 40 CFEB CN1CCN([C@@H]2CC/C=C/CC/C=C/CC/C2=N/O)CC1 100976952 DXBHKGBDHJFKEM-YVIPNIRMSA-N 291.439 2.899 30 40 CFEB CN1C(=O)/C(=N/c2ccc(F)cc2)c2ccccc21 13396646 LACZDSOABGNDFU-SAPNQHFASA-N 254.264 2.923 30 40 CFEB Cc1noc([C@H]2CCCN(c3ccc(C#N)cc3)C2)n1 97159674 VMIZKRDNWQHYLO-ZDUSSCGKSA-N 268.320 2.634 30 40 CFEB Cc1nc(SCc2ccc(F)cc2)nc(N)c1C#N 225891097 QLWABJPDOCOGQD-UHFFFAOYSA-N 274.324 2.670 30 40 CFEB CO[C@@H](CNC(=O)NCC1CCC(C#N)CC1)C(C)(C)C 225653397 ZVBDIYWWMWAOLR-RUXDESIVSA-N 295.427 2.677 30 40 CFEB N#Cc1ccc(N2CCN(c3ccccc3F)CC2)c(N)c1 225497927 XWJSZZKQQHTFTB-UHFFFAOYSA-N 296.349 2.606 30 40 CFEB N#Cc1nnc2ccccc2c1N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 294836854 ATHIBYDENYTPBD-NZBPQXDJSA-N 288.354 2.760 30 40 CFEB Cc1cccnc1CNc1ccc(C#N)cc1[N+](=O)[O-] 69875740 LAPFJHBCAAFSHR-UHFFFAOYSA-N 268.276 2.782 30 40 CFEB Cc1csc([C@H](C#N)C(=O)Cc2ccn(C(C)C)n2)n1 72310869 VHYNLQFBMQDDCR-GFCCVEGCSA-N 288.376 2.648 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)C=C(Cl)C1=O 5080592 UXASVZPBDIQODI-LFRAMAKYSA-N 280.751 2.986 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/N=C/c2ccccc2O)cc1 1709486 OGJRDWUBYHHMFQ-KAVGSWPWSA-N 269.260 2.753 30 40 CFEB N#Cc1cn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12 226361992 ZSXARTGRIKLDPJ-UHFFFAOYSA-N 290.278 2.930 30 40 CFEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cc(C)ccc1O2 100490082 FIQFKSJDOCOLGE-OAHLLOKOSA-N 273.288 2.788 30 40 CFEB N#CCc1ccccc1C(=O)[C@H]1OC(=O)c2ccccc21 106348075 XATJMEOFEVFWPA-INIZCTEOSA-N 277.279 2.847 30 40 CFEB N#Cc1ccc(NCCOc2cccc(F)c2)nc1 36395066 GFXBBSNFADUWGG-UHFFFAOYSA-N 257.268 2.583 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1C#N 3445255 COIXUOIGLXYUHQ-GXTWGEPZSA-N 272.348 2.632 30 40 CFEB C#CCNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C 12925847 XROGBJGTAMRTPE-UHFFFAOYSA-N 279.405 2.512 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1 8727751 XAGQOOIKHBHRNK-UHFFFAOYSA-N 266.256 2.509 30 40 CFEB CCCCNC(=O)[C@@H](C#N)c1ccc2ccccc2n1 89954731 MJKKLOXSDOQEMX-ZDUSSCGKSA-N 267.332 2.758 30 40 CFEB CNc1ccc2c(c1)S[C@@H]1CC(=[N+](C)C)CC[C@@H]1N2 504663967 MRKJUQFZPAERTO-DZGCQCFKSA-N 276.429 2.880 30 40 CFEB COc1cc(C)c(NC(=O)[C@@](C)(C#N)c2ccccc2)cn1 225960860 WGQZSHKGILVITL-KRWDZBQOSA-N 295.342 2.819 30 40 CFEB C#CCCCOC(=O)c1snnc1-c1ccccc1 223833093 QCZXWWBCMZOTKE-UHFFFAOYSA-N 272.329 2.775 30 40 CFEB Fc1ccc(C#CCO[C@@H]2CCCCO2)c(F)c1 2388126 NOKFQAFJMJGYLE-CQSZACIVSA-N 252.260 2.860 30 40 CFEB N#Cc1ccccc1CSc1nnc2ccccn12 7005904 HUDIZPGGMPVZJZ-UHFFFAOYSA-N 266.329 2.893 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1ccccc1OC(F)F 40357636 MQIGTJCYYWHZJY-CYBMUJFWSA-N 268.263 2.710 30 40 CFEB C=CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3282839 XWXGUYOZLGWIKA-UHFFFAOYSA-N 299.701 2.823 30 40 CFEB C=CCSCc1nc(CC(=O)Nc2ccccc2)no1 44980525 WKLLOJDQZCRUJB-UHFFFAOYSA-N 289.360 2.670 30 40 CFEB Cc1ccccc1S(=O)(=O)CCC(C)(C)C#N 87611100 JUKRIZFZURYOBQ-UHFFFAOYSA-N 251.351 2.709 30 40 CFEB O=C(Nc1ccc(OC[C@@H]2CO2)cc1)NC1CCCCC1 65739539 OWUOHIMJYZRAGE-OAHLLOKOSA-N 290.363 2.918 30 40 CFEB in-vitro C[C@@H]1CC(=C=N/N=C2/NC(=O)CS2)CC(C)(C)C1 5897929 OXVDIHJGIBOGDF-SECBINFHSA-N 265.382 2.563 30 40 CFEB CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2)[C@H](CC)C1 84736312 QVZVOEYGZYPTML-IAGOWNOFSA-N 299.418 2.685 30 40 CFEB CCOc1c(F)cccc1C(=O)Nc1ccc(C#N)cn1 74729844 RDOJCKTVHHMMSE-UHFFFAOYSA-N 285.278 2.743 30 40 CFEB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C#N)cc1 36391129 JBFJDOADTPQPKI-CZUORRHYSA-N 286.375 2.883 30 40 CFEB O=C(/C=C/c1ccccn1)c1cccc([N+](=O)[O-])c1 40895928 BXQJHMCMOWDXJO-BQYQJAHWSA-N 254.245 2.886 30 40 CFEB in-vivo CC(C)Cc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1 225859662 PWAQLTPJBJGECV-UHFFFAOYSA-N 296.374 2.779 30 40 CFEB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(C#N)c1 40108258 MSWFMQRPOYGHOT-BBRMVZONSA-N 286.375 2.883 30 40 CFEB N#Cc1cnn(Cc2ccc(Cl)c(Cl)c2)c1N 225846436 DMTFWNMFQRGPMX-UHFFFAOYSA-N 267.119 2.692 30 40 CFEB C=CCN1CCC(N[C@H]2CCc3ccccc3C2)CC1 96477244 XXSNDMXJGQTRTG-SFHVURJKSA-N 270.420 2.784 30 40 CFEB C=CCCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 96367149 WJUISOVTHIWIFC-QGZVFWFLSA-N 285.343 2.589 30 40 CFEB CCOc1ccc(C(=O)/C=C(\O)C(=O)OC)cc1Cl 100969508 ZIWODSXAFHXFCD-XFFZJAGNSA-N 284.695 2.536 30 40 CFEB C=CCN1C(=O)/C(=C\c2cccc(C)c2)C(C(=O)OC)=C1C 14406551 YHFCRJMUGDKTGR-PTNGSMBKSA-N 297.354 2.854 30 40 CFEB O=C1N(O)C2(CCCCC2)/C(=N/O)C12CCCCC2 5413375 UDTISGZAMFNQMW-RVDMUPIBSA-N 266.341 2.701 30 40 CFEB COc1ccccc1/C=C1\CCc2c(cnn2C)C1=O 40116053 YSSSXSJZDXFUDC-FMIVXFBMSA-N 268.316 2.641 30 40 CFEB Cc1cc(Br)cc([N+](=O)[O-])c1/N=C/N(C)C 100927879 YCRWZGDORCOUNV-WUXMJOGZSA-N 286.129 2.887 30 40 CFEB C=CCN1C(=S)N[C@H]2C[C@@]1(C)Oc1c(OC)cccc12 101243956 WAVQDXUGWRUHRQ-XHDPSFHLSA-N 290.388 2.611 30 40 CFEB N#C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 37357158 KTYBOGFKROWNJQ-GFCCVEGCSA-N 270.254 2.602 30 40 CFEB N#CCCN(C(=O)Nc1ccc2c(c1)CCCO2)C1CC1 78936915 IUYKGBMAVBQRFN-UHFFFAOYSA-N 285.347 2.922 30 40 CFEB C=C(Cl)COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 22989300 RYPVTCKYOOXGEI-SNVBAGLBSA-N 283.686 2.547 30 40 CFEB Nc1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 3169053 RIBYRUIVIKCUFD-UHFFFAOYSA-N 264.284 2.644 30 40 CFEB Cc1nn(Cc2cn3ccccc3c2C#N)c(C)c1[N+](=O)[O-] 58357475 VOJGVZYYNHEYIN-UHFFFAOYSA-N 295.302 2.581 30 40 CFEB C[C@H](C#N)Sc1nnc(COc2ccc(F)cc2)o1 11195404 YEJODWZYVYYFCJ-MRVPVSSYSA-N 279.296 2.792 30 40 CFEB COc1cccc(CCNC(=O)c2ccc(C#N)cc2)c1 4110294 QXHNFKABTRGPDA-UHFFFAOYSA-N 280.327 2.539 30 40 CFEB C=CCNC(=O)c1cccc(NC(=O)c2cccs2)c1 7131105 WBJIXYZLKSCYAV-UHFFFAOYSA-N 286.356 2.916 30 40 CFEB N#C[C@@H](COC(=O)c1ccoc1)Cc1cccs1 95452833 VRWCWAIPBCODTA-JTQLQIEISA-N 261.302 2.880 30 40 CFEB C=CCNC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 76017268 ZPTSFNDXOYAHGP-SNVBAGLBSA-N 276.233 2.914 30 40 CFEB CC(C)(C)c1nn(CC[C@@H]2CCCO2)c(O)c1CCC#N 189316157 GYLAMRDSMWUMJW-LBPRGKRZSA-N 291.395 2.911 30 40 CFEB Cc1c(CO/N=C(/N)C(C)(C)C)cccc1[N+](=O)[O-] 49065858 LXWNPEPONHJSQE-UHFFFAOYSA-N 265.313 2.738 30 40 CFEB CSc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 203802960 GWNRDQCFASRPBI-UHFFFAOYSA-N 286.152 2.986 30 40 CFEB CCn1cc(C(=O)Nc2sc(C)c(C)c2C#N)cn1 2782550 FGNXTLHTHIBGJN-UHFFFAOYSA-N 274.349 2.705 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc(N(C)C)c2)c1 22408945 GCEBCXRLSVMCCC-UHFFFAOYSA-N 264.328 2.986 30 40 CFEB C[C@@H](NC(=O)c1cc(F)ccc1N)c1ccc(C#N)cc1 37508761 ZMQWOBZNBUSVHD-SNVBAGLBSA-N 283.306 2.771 30 40 CFEB in-vitro N#CCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 71916126 KOMZRZDASRKKEU-RUDMXATFSA-N 285.303 2.513 30 40 CFEB COc1ccc(C(=O)/C=C(\O)c2ccccn2)cc1 103713048 IZQRBODDNGHZPF-GDNBJRDFSA-N 255.273 2.872 30 40 CFEB N#CCN(C(=O)CCSc1ccc(F)cc1)C1CC1 58316002 MDRSSIVTZSINPD-UHFFFAOYSA-N 278.352 2.822 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccsc1)CCO2 107720678 AOTHCJBWQBOKDI-RBSFLKMASA-N 279.405 2.683 30 40 CFEB CCCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 48367952 SXXKUYAJGDQKHK-UHFFFAOYSA-N 286.784 2.680 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1c(C)noc1C 60102283 ZSGVKXVHMZCMLE-UHFFFAOYSA-N 282.343 2.875 30 40 CFEB N#CC1(C(=O)NCCc2c[nH]c3ccccc23)CCCC1 49878381 XQEROFRNNQWWLB-UHFFFAOYSA-N 281.359 2.911 30 40 CFEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O 5591145 YIZQWNKWELSFJK-XBUHWIKASA-N 275.377 2.798 30 40 CFEB COC(=O)[C@H]1C(=O)C=C(Cl)C[C@@H]1c1ccccc1 64861144 JAFKKXXJMCCQRO-DGCLKSJQSA-N 264.708 2.655 30 40 CFEB C=CCOCCCC(=O)N[C@H]1CSc2ccccc21 95403582 LTLRXTXIIJJTAJ-ZDUSSCGKSA-N 277.389 2.932 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)nc1 74729835 NDZYKSPCHRLSJZ-OAHLLOKOSA-N 295.367 2.922 30 40 CFEB C#CCNc1ccccc1CS(=O)(=O)c1ccccc1 85276989 ZKFUJHALXKGJKR-UHFFFAOYSA-N 285.368 2.706 30 40 CFEB CCOc1cc(Br)c(/C=N/O)cc1OC 5953383 RZYQWZHRCHHFBV-WUXMJOGZSA-N 274.114 2.665 30 40 CFEB CN(c1cccc(N=C2CCCC2)c1)S(C)(=O)=O 6226869 PLMWHHNJDKTYRZ-UHFFFAOYSA-N 266.366 2.729 30 40 CFEB Cc1ccc(/C=N\NC(=N)N/N=C\c2ccc(C)cc2)cc1 104392326 GNXRPYNGMHPGPB-YZLQMOBTSA-N 293.374 2.785 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCCC#N)C[C@@H]21 97112740 VCUYWHZLHSWDKW-MELADBBJSA-N 293.411 2.525 30 40 CFEB N#Cc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 3525484 ZBPDOUKLNUIGSV-XDHOZWIPSA-N 294.383 2.556 30 40 CFEB C#Cc1cccc(NC(=O)c2sc(C)nc2C)c1 12984234 GUQWRJZDRAOBBW-UHFFFAOYSA-N 256.330 2.994 30 40 CFEB C[C@@H](NCc1ccccc1)C(=O)Nc1ccccc1C#N 12973127 CRSMRQPDMAULBX-CYBMUJFWSA-N 279.343 2.675 30 40 CFEB Cc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CCC3)c12 95393438 GSFULWLSGOZDAP-UHFFFAOYSA-N 296.330 2.585 30 40 CFEB N#CCCn1ncc2c(Nc3ccc(F)cc3)ncnc21 97200293 DBGOPYBCTPIGPB-UHFFFAOYSA-N 282.282 2.623 30 40 CFEB CCc1n[nH]c(S[C@H](C#N)Cc2ccc(C)cc2)n1 65563631 IXACSSOOFDSYDQ-LBPRGKRZSA-N 272.377 2.903 30 40 CFEB Nc1c(Cl)ncnc1N/N=C/c1ccnc2ccccc12 5396064 CPFPCEKODISHHR-IFRROFPPSA-N 298.737 2.706 30 40 CFEB CC(C)CSc1nc(-c2ccco2)c(C#N)c(=O)[nH]1 6907101 YPJMRMFMSPYCAQ-UHFFFAOYSA-N 275.333 2.650 30 40 CFEB COC(=O)[C@H](NC1CCCCC1)c1cccc(C#N)c1 95425676 JJQXXOLCLAZFBJ-OAHLLOKOSA-N 272.348 2.695 30 40 CFEB Cc1ccc(N(CCC#N)C(=O)C2CCOCC2)cc1 69527522 YXDLMZIXJGVICI-UHFFFAOYSA-N 272.348 2.668 30 40 CFEB Cc1ccc(C#N)c(SCC(=O)NCc2ccccc2)n1 18190195 BMUDCJCASZFVAT-UHFFFAOYSA-N 297.383 2.670 30 40 CFEB N#Cc1ccccc1Sc1ccc(C(N)=O)cc1 75093346 PEEDKIHYDLCMHO-UHFFFAOYSA-N 254.314 2.808 30 40 CFEB CCOC[C@H](O)CSc1ccc(C#N)cc1Cl 193817793 RHINIUWVARZVKX-JTQLQIEISA-N 271.769 2.701 30 40 CFEB C#CCCCCC(=O)Nc1ncnc2oc(C)c(C)c12 97101442 QTZGLQONIONQOW-UHFFFAOYSA-N 271.320 2.972 30 40 CFEB Cc1cc(C#N)nc(N[C@@H](c2ncc(C)s2)C2CC2)n1 390835592 RTPRUBQEHBACAW-GFCCVEGCSA-N 285.376 2.985 30 40 CFEB C=CCn1cc(C(=O)O[C@@H](C)C(C)=O)c2ccccc21 64201053 HNXCHOCPEDUBPA-LBPRGKRZSA-N 271.316 2.962 30 40 CFEB N#Cc1cc(CN[C@@H](CO)c2ccccc2)ccc1F 96006406 HFURMTYSBMUGSD-INIZCTEOSA-N 270.307 2.521 30 40 CFEB CN1CCCCCC(=N\O)/C(=N/O)CCCCC1 17886725 FRTSXIXTWLTUNW-QUMQEAAQSA-N 255.362 2.713 30 40 CFEB C=C(C)C(=O)c1ccc(OCCN2CCCC2)cc1 575243096 QAXSMIYHRVPOEL-UHFFFAOYSA-N 259.349 2.920 30 40 CFEB Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(C)c1 368715 ALDMDGXOKUUXFB-VXLYETTFSA-N 279.343 2.836 30 40 CFEB N#Cc1ccc(NC(=O)CSc2nccn2C2CC2)cc1 8705995 FTEDYMBYFULQMI-UHFFFAOYSA-N 298.371 2.820 30 40 CFEB N#Cc1ccc(NC[C@H]2CCc3ccccc3N2)nc1 78495554 HQEBAXPLCQESFJ-CQSZACIVSA-N 264.332 2.792 30 40 CFEB Cc1c(/N=C/c2cccn2C)c(=O)n(-c2ccccc2)n1C 102946801 YHUQCWBMNDXDAJ-LDADJPATSA-N 294.358 2.574 30 40 CFEB CN(C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 25419984 MNDNPVYZYYDIBB-INIZCTEOSA-N 288.391 2.562 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2ccccc2)o1 58278362 ATYYHGWGSGYAQY-VQHVLOKHSA-N 256.257 2.962 30 40 CFEB O/N=C1C(=N/O)\N(c2ccccc2)CN\1c1ccccc1 104267238 SUZOTEFUYJONQA-YXLFCKQPSA-N 282.303 2.546 30 40 CFEB O[C@@H](/C=N/c1ccccc1)[C@H](O)/C=N/c1ccccc1 104093023 GCTDLJKMIDVREX-MCIYFUDISA-N 268.316 2.513 30 40 CFEB C[C@H](C#N)SC1=NN/C(=C2\C=Nc3ccccc32)O1 103085414 LQNQAPALCFILAE-GLFQRJSBSA-N 270.317 2.607 30 40 CFEB N#CCCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66845480 DCDNQYWBPMSMBX-ZDUSSCGKSA-N 268.719 2.766 30 40 CFEB COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)CC#N 97081848 NBKGMANGJXRWBS-LLVKDONJSA-N 287.146 2.663 30 40 CFEB Cc1ccc([C@H]2C[C@@H]2C(=O)NC2(C#N)CCC2)s1 95393906 QIPNGKLUQPKYQV-QWRGUYRKSA-N 260.362 2.723 30 40 CFEB CC(C)(C#N)c1ccc(NC(=O)/C=C/c2ccncn2)cc1 95465597 XYAJYCGCYYMYOE-BQYQJAHWSA-N 292.342 2.930 30 40 CFEB N#Cc1cccnc1N[C@H]1CCOc2ccccc21 48322077 QWZAZFSELUZGIW-ZDUSSCGKSA-N 251.289 2.889 30 40 CFEB CCC[C@]1(C)CCCN(S(=O)(=O)CCCC#N)C1 96433544 QHFNQDBXGMOVLX-CYBMUJFWSA-N 272.414 2.522 30 40 CFEB CSC(=NC#N)SCOc1ccc([N+](=O)[O-])cc1 256080915 LUMZBWFQXJJDLR-UHFFFAOYSA-N 283.334 2.864 30 40 CFEB N#Cc1ccc(CC(=O)[C@H]2OC(=O)c3ccccc32)cc1 1554502593 RFXJETUJZILUMN-INIZCTEOSA-N 277.279 2.582 30 40 CFEB CCN1C(=O)/C(=C\c2ccc(C#N)cc2)SC1=S 5123963 POWQQQIAHKMUPI-YRNVUSSQSA-N 274.370 2.779 30 40 CFEB C/N=C(/N)SCc1cc(Cl)c2c(c1)OCCCO2 11165009 YXYQTUJBTPGCNO-UHFFFAOYSA-N 286.784 2.679 30 40 CFEB Cc1sc(NC(=O)c2ccccn2)c(C#N)c1C 13015174 BXLVLVNLKNYNQP-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB CC1(C)[C@@H]2CC[C@@H]3OB(c4ccsc4)O[C@@]3(C)[C@H]21 216082838 PURMGMLBEISVIT-GFQSEFKGSA-N 262.183 2.683 30 40 CFEB C/N=C1\c2ccccc2CN1c1cccc(C(=O)OC)c1 547018 KCBFTSOINRMBJZ-FBMGVBCBSA-N 280.327 2.870 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(O)c2)c1 100594 UXUOJZYQLWPXPR-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB CC(=O)/C(=N\Nc1ccc(Cl)cc1)C(=O)C(F)(F)F 4712277 JPYABQFNSIKYMO-RQZCQDPDSA-N 292.644 2.828 30 40 CFEB COCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 95364853 UXVFMCOQVYJJPA-UHFFFAOYSA-N 298.367 2.970 30 40 CFEB CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1F 26329249 KKWZDOVSSICBDH-KRWDZBQOSA-N 284.334 2.863 30 40 CFEB C=CCNC(=O)c1ccc(NC(=O)NC2CCCC2)cc1 48149161 BIRKYTRDVWKVGY-UHFFFAOYSA-N 287.363 2.667 30 40 CFEB Cc1ccn2c(=N)c(C#N)c(NCc3ccccc3)nc2c1 101634394 JFHBCANLQHNFKG-UHFFFAOYSA-N 289.342 2.606 30 40 CFEB C=C(Cl)CS(=O)(=O)Cc1ccn(-c2ccccc2)n1 69581634 POPIUNLJNOYROO-UHFFFAOYSA-N 296.779 2.540 30 40 CFEB C=CCOc1cccc(NC(=S)NC[C@@H]2CCCO2)c1 63790959 LDYCXFSJKDZALT-AWEZNQCLSA-N 292.404 2.717 30 40 CFEB Cc1nc2c(s1)CN([C@H](C#N)c1ccco1)CC2 41194205 UHBXRPUWAIAZAV-LLVKDONJSA-N 259.334 2.668 30 40 CFEB Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1 197508696 VNUNUMXSYCANPC-QGOAFFKASA-N 282.343 2.979 30 40 CFEB NC(=O)COc1ccccc1/C=N/c1ccc(Cl)cc1 361221 YRQCTFXNPPMGJD-GIJQJNRQSA-N 288.734 2.955 30 40 CFEB CC(/C=C/c1ccccc1)=N/Nc1n[nH]c(=S)[nH]1 12363957 MOLRGHSEWGUZHE-ZHCWNNSNSA-N 259.338 2.968 30 40 CFEB N#Cc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1 16400559 FHJXJNWYNHZHQX-UHFFFAOYSA-N 262.272 2.857 30 40 CFEB C[C@@H]1CCc2nc(N)c(C#N)c(-c3ccco3)c2C1 19095838 ZHBSLCLAKHRZMQ-SECBINFHSA-N 253.305 2.920 30 40 CFEB C[C@@H](Nc1ncccc1C#N)[C@H](O)c1ccc(F)cc1 78673183 MZUOZLRUKUMNPE-YGRLFVJLSA-N 271.295 2.626 30 40 CFEB N#Cc1ccc(OCCO/N=C/c2ccccc2)cc1 23657557 HJUTYHAKEGZJRC-QGOAFFKASA-N 266.300 2.988 30 40 CFEB Cc1cc([C@@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc(C)n1 107331927 UVDRURFNCKLFKI-XDQVBPFNSA-N 269.348 2.706 30 40 CFEB O=C(O)c1ccccc1N/N=C1\CCc2c(O)cccc21 13459746 QMJCGCDENKIDNB-NBVRZTHBSA-N 282.299 2.853 30 40 CFEB CC(C)c1nc(N2CCN(C)CC2)c(C#N)c2c1CCCC2 6758689 GAUGMYYTXNGHET-UHFFFAOYSA-N 298.434 2.707 30 40 CFEB CC(C)(C)c1nc(C#N)c(NCCCn2ccnc2)o1 16741886 YXCGTGUHCVHAKE-UHFFFAOYSA-N 273.340 2.542 30 40 CFEB N#Cc1ccsc1C(=O)Nc1ncccc1Cl 97046930 RIQBPMFEKBFPDL-UHFFFAOYSA-N 263.709 2.920 30 40 CFEB C=CCNC(=O)N1CCc2sccc2[C@H]1CC 42925702 MIIIIHNIMDNENJ-LLVKDONJSA-N 250.367 2.953 30 40 CFEB CCCNc1nn(-c2cccc(Cl)c2)nc1C#N 256048123 QWAHLOQOFJRTMT-UHFFFAOYSA-N 261.716 2.614 30 40 CFEB CC[C@@H](CC#N)NC(=O)c1cc(F)c(F)cc1F 97140580 ARCFMOYSVAAADT-ZETCQYMHSA-N 256.227 2.526 30 40 CFEB Cc1nn(C)cc1/C=N/Nc1nc2ccccc2s1 5921647 JJKBXLHXSCZJCA-VGOFMYFVSA-N 271.349 2.784 30 40 CFEB CCCOc1ccc(/C=C2/C(=O)ON=C2C)cc1OC 4320993 HUIMHZUPCLSKMF-XYOKQWHBSA-N 275.304 2.800 30 40 CFEB C/C(=N\Nc1cc(C)nc(C)n1)c1ccc(N)cc1 43988070 XSWRUGHMOJWMNF-VCHYOVAHSA-N 255.325 2.512 30 40 CFEB N#Cc1ccc(N/N=C2\C=CC(=O)c3cccnc32)cc1 108380866 KCXCODDEPZJWME-XSFVSMFZSA-N 274.283 2.522 30 40 CFEB Cc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)s1 16348099 APSUQQOUTIDUDD-VGOFMYFVSA-N 257.318 2.977 30 40 CFEB CCn1c(SC[C@H](C)C#N)nnc1-c1ccco1 8345198 PACPRCXQSAAXGL-SECBINFHSA-N 262.338 2.810 30 40 CFEB N/C(=N/Cc1ccc2ccccc2n1)N1CCCCC1 69978553 SWLLREUEJGPSHG-UHFFFAOYSA-N 268.364 2.535 30 40 CFEB CCN(C)c1ccc(CNc2nccnc2C#N)cc1F 71911585 WVLAPTRTBBXKBG-UHFFFAOYSA-N 285.326 2.556 30 40 CFEB CN(Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 98012992 GPXOLQYRGUENIZ-OAGGEKHMSA-N 270.376 2.804 30 40 CFEB CC(C)CSc1nc(N)c(C#N)c(C(C)C)n1 225892276 ATGYNZATNLVGPB-UHFFFAOYSA-N 250.371 2.802 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCCC[C@@H]2C)nc1 223919795 BLTBGUFBWWLEJT-LBPRGKRZSA-N 290.436 2.933 30 40 CFEB NN=C(/C(=N/N)c1ccccc1)c1cccc2ccccc12 245240060 OAICTEQGENJXQD-MKXCFFHBSA-N 288.354 2.866 30 40 CFEB Cc1oc(NC(=O)[C@H](C)N2CCCCC2)c(C#N)c1C 25404137 QMELLBYOWOQKPQ-NSHDSACASA-N 275.352 2.581 30 40 CFEB CCOC(=O)/C(CC(C(F)(F)F)C(F)(F)F)=N\O 261508614 VGQBAQCNUSUCFS-TVPGTPATSA-N 281.152 2.511 30 40 CFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)c(F)c1 15600354 CEMWFVQTJWAEHA-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB C=C(Br)CN1CC[C@@H](CN(C)CCC)C1 79014970 JSDFVZLYBMHGLD-LBPRGKRZSA-N 275.234 2.559 30 40 CFEB Cc1ccc(C)c(NCC(=O)NC2(C#N)CCCC2)c1 30283733 LJRMKSGNBQRBFV-UHFFFAOYSA-N 271.364 2.668 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc(C)c2)cc1 2734048 UMTALUUVDRERAC-LFIBNONCSA-N 288.372 2.616 30 40 CFEB C#CCOc1ccc(NC(=O)NCCCSC)cc1 77466089 KXXHRYYNVVVPSJ-UHFFFAOYSA-N 278.377 2.573 30 40 CFEB Cc1cccc(S(=O)(=O)Cc2cccc(C#N)c2)c1 78758146 YXVIXEALNVMZEN-UHFFFAOYSA-N 271.341 2.841 30 40 CFEB C#CCNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 78987278 JGKMFNDFBWPGLG-ZDUSSCGKSA-N 279.343 2.742 30 40 CFEB CO[C@@H]1C[C@@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 100017854 YEYBRTMMOJKDHE-NGFQHRJXSA-N 296.388 2.514 30 40 CFEB Cc1cc([C@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc(C)n1 107331930 UVDRURFNCKLFKI-XUXIUFHCSA-N 269.348 2.706 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cc(Cl)ccc1OC 100415287 AHKYBIQQWIFDAQ-GDNBJRDFSA-N 291.134 2.876 30 40 CFEB CC1=NOC(=O)/C1=C/c1ccc(Br)cc1 104924142 BBUSRWDMHVPPNH-UXBLZVDNSA-N 266.094 2.765 30 40 CFEB CC1=C/C(=N\OC(=O)c2ccccc2)C(C)=CC1=O 24269499 XUGLKEGRQHIJQZ-DTQAZKPQSA-N 255.273 2.675 30 40 CFEB CCN(CC#N)C(=O)C1(c2ccc(F)cc2)CCC1 68915828 IAPLTXRBAYKTJV-UHFFFAOYSA-N 260.312 2.619 30 40 CFEB CN(CC#N)Cc1c(Cl)cccc1N1CCCC1 97033848 FYUQGCREDURZGJ-UHFFFAOYSA-N 263.772 2.896 30 40 CFEB CCOc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1 408846103 ORNYMIAHTWHKJG-WQQJKMRESA-N 276.361 2.617 30 40 CFEB CSc1cc(-c2ccc3c(c2)OCO3)oc(=O)c1C#N 38304091 XFWYDRFULPIFSM-UHFFFAOYSA-N 287.296 2.629 30 40 CFEB Cc1cc(=O)c2ccc(C(F)(F)F)cc2n1CC#N 40164053 MXAHGWVKAMGMEB-UHFFFAOYSA-N 266.222 2.852 30 40 CFEB CCOC(=O)c1c(N)oc2c(C#N)c(C)cc-2c1C 44787398 GGAKNLHZMSELKK-UHFFFAOYSA-N 258.277 2.632 30 40 CFEB COc1ccc(C2(NCCCCC#N)CCOCC2)cc1 95394011 DDMOFFBWVSMMHD-UHFFFAOYSA-N 288.391 2.984 30 40 CFEB Cc1noc(C)c1N(C)C(=O)Nc1ccc(C#N)cc1 96460043 UKJHGRVZODGADK-UHFFFAOYSA-N 270.292 2.831 30 40 CFEB N#Cc1ccc(CC(=O)[C@@H]2OC(=O)c3ccccc32)cc1 1554502594 RFXJETUJZILUMN-MRXNPFEDSA-N 277.279 2.582 30 40 CFEB CN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 7308310 YKPAFXHLQXQSNY-UHFFFAOYSA-N 278.377 2.511 30 40 CFEB C=CCCC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 238936839 VOYPEFFULJJXJM-MRXNPFEDSA-N 273.332 2.723 30 40 CFEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)O 154681 XNGNWDLNKWLVPV-UHFFFAOYSA-N 270.313 2.797 30 40 CFEB CC(=O)C1=C(NC(=O)Cc2ccccc2)C[C@@H]2[C@H]1C2(C)C 517493 YHJWXXURBVCFHD-CXAGYDPISA-N 283.371 2.864 30 40 CFEB biogenic CCCCNC1=C(C(C)=O)C(=O)O[C@@H]1c1ccccc1 103116242 ADBVMKXMAHSYJD-OAHLLOKOSA-N 273.332 2.517 30 40 CFEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N/C2=N\C(=O)c1ccccc1 4701388 JYYVUMQUBHVWPC-PXAZEXFGSA-N 284.359 2.798 30 40 CFEB CC(=O)c1ccccc1NCC(=O)NC1(C#N)CCCCC1 36393134 NCVMQXKMQGSFKB-UHFFFAOYSA-N 299.374 2.644 30 40 CFEB CCCn1c(S[C@H](C)C#N)nnc1-c1ccncc1 11211120 VLFSPUPHQTUTIJ-SNVBAGLBSA-N 273.365 2.754 30 40 CFEB Cc1ccc(O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 5938644 UHJBBZYTEVEKTM-BBRMVZONSA-N 274.364 2.817 30 40 CFEB N#Cc1ccc(OCCN2CCc3ccccc3C2)cc1 19815393 QUUYWORSOMJZKQ-UHFFFAOYSA-N 278.355 2.995 30 40 CFEB CCOCC1CCN(Cc2ccc(C#N)cc2)CC1 71904342 DNDOZPLIQRVVQJ-UHFFFAOYSA-N 258.365 2.807 30 40 CFEB Cc1nnc([C@H](C)O/N=C(/N)Cc2ccccc2Cl)o1 71913940 JXPKICQDBBFOJG-QMMMGPOBSA-N 294.742 2.624 30 40 CFEB CCCCCCCNC(=O)C(=O)NCc1ccccc1C 408707620 PFCWUBUMIYBICY-UHFFFAOYSA-N 290.407 2.698 30 40 CFEB COC(=O)c1ccccc1/N=C/c1cccc(OC)c1O 44835919 SJAPQOZICQMTDC-LICLKQGHSA-N 285.299 2.938 30 40 CFEB C(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)o1 409011274 GUSMVDLAPKMKKX-FOWTUZBSSA-N 271.320 2.562 30 40 CFEB N#Cc1ccc(/C=C/c2cc(O)ccc2[N+](=O)[O-])nc1 178724175 YWZCWBCEHJCMSB-DUXPYHPUSA-N 267.244 2.737 30 40 CFEB Cc1ccc(Cn2nc(C(F)(F)F)c(C#N)c2N)cc1 225845826 QRUNCENNBXNGMR-UHFFFAOYSA-N 280.253 2.713 30 40 CFEB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(CC#N)C2 85398908 ZCRNYFRNZGBEHU-WDEREUQCSA-N 256.143 2.813 30 40 CFEB CCOC(=O)c1sc(CC(C)C)c(C#N)c1N 199043873 RUVPAIUDQGBSEZ-UHFFFAOYSA-N 252.339 2.577 30 40 CFEB CCCNC(=O)OCCN(CCC#N)c1ccccc1 146468134 KWVZWXOYXVDECH-UHFFFAOYSA-N 275.352 2.543 30 40 CFEB C=C(Br)CN1CC[C@H](CN(C)CC2CC2)C1 96447064 HBLIGRNSHTWICU-CYBMUJFWSA-N 287.245 2.559 30 40 CFEB Cn1nnnc1/N=C(\O)c1sc2ccccc2c1Cl 514954 FZLAUHDJHGRVAV-UHFFFAOYSA-N 293.739 2.715 30 40 CFEB COc1ccc2c(c1)C(=O)[C@]1(CC2)O[C@H]1c1cccnc1 13283817 HCJLUWDSJCXYEY-IRXDYDNUSA-N 281.311 2.729 30 40 CFEB CC(C)(C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 586044795 MRAGFPQIHGDILF-UHFFFAOYSA-N 299.418 2.685 30 40 CFEB N#Cc1ccc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc1 558705205 QDJIMDMGPRPQRR-HZPDHXFCSA-N 290.370 2.526 30 40 CFEB C=CCNC(=O)Nc1ccc(OC(C)C)cc1F 52267848 VIZZYQVCJJAVSS-UHFFFAOYSA-N 252.289 2.920 30 40 CFEB Cn1c(Cc2cccs2)nnc1SCCCC#N 97073328 ANUJIPZLNFBEAG-UHFFFAOYSA-N 278.406 2.863 30 40 CFEB CCOC(=O)CCCCC(=O)c1cccc(C#N)c1 2378994 YYHITCBZCDXKIH-UHFFFAOYSA-N 259.305 2.864 30 40 CFEB Cc1ccccc1CN1CCCN(CCCC#N)CC1 45943514 MRLHRNDIEUBWSL-UHFFFAOYSA-N 271.408 2.807 30 40 CFEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OC 409080324 NBQPIYGTRPYOFM-JYRVWZFOSA-N 287.315 2.748 30 40 CFEB C=CCO[C@@H]1CO[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 96048202 SZLCPPFJDJPDNL-IRXDYDNUSA-N 291.391 2.914 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2ccccc2)c1 7062934 KSKVKVRBZUSEHP-UHFFFAOYSA-N 252.273 2.576 30 40 CFEB C/N=C(\N)N/N=C(/C)c1ccc2c(c1)Cc1ccccc1-2 5830860 XAQIVBSWXLLCRN-JAIQZWGSSA-N 278.359 2.516 30 40 CFEB O/N=C1C(=N/O)/N(c2ccccc2)CCN/1c1ccccc1 17140283 VUEPGFXIACDTSV-IQRFGFHNSA-N 296.330 2.589 30 40 CFEB N#Cc1c(C#N)c(-c2ccco2)n(/N=C\c2ccco2)c1N 1647970 XNIVBTJMWLISEX-OCKHKDLRSA-N 291.270 2.549 30 40 CFEB O=C1/C(=C/NN2CCCCC2)Sc2ccccc21 186043 NANYUYLKWKVNNN-RAXLEYEMSA-N 260.362 2.807 30 40 CFEB CCOc1ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 32636341 JBIMWODPLGBWHS-INIZCTEOSA-N 290.363 2.519 30 40 CFEB COc1ccc(OC)c(/C=C/C(=O)c2cn(C)nc2C)c1 6921421 ANKIUGBILQURQW-FNORWQNLSA-N 286.331 2.642 30 40 CFEB C[C@@H](NC(=O)/C(Cc1ccccc1)=N\O)c1ccccc1 102912916 UIUFNYVIYSLSEL-KMJMQOOCSA-N 282.343 2.937 30 40 CFEB CC(C)[C@@H](/N=C\c1cc(Cl)ccc1O)C(=O)O 104095175 XGKRTQSMOMJPIE-MQOXYSQQSA-N 255.701 2.574 30 40 CFEB O/C(Cc1ccc(C(F)(F)F)cc1)=N\c1ncn[nH]1 58714914 ZUCHACGECUAKAC-UHFFFAOYSA-N 270.214 2.654 30 40 CFEB CN(C)C1CCN(c2c(C#N)cnc3ccccc23)CC1 36913360 HUYOULRAULBLCR-UHFFFAOYSA-N 280.375 2.637 30 40 CFEB COC(=O)c1occc1/C=C1\Cc2ccccc2C1=O 12908735 UMTFTPXEDBJMMB-FMIVXFBMSA-N 268.268 2.889 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/Nc2ncnc3ccccc23)c1 4536748 OQNMASNGOHFPFK-GIJQJNRQSA-N 293.286 2.984 30 40 CFEB N#Cc1cccc(C(=O)N(Cc2cccnc2)C2CC2)c1 7909920 DWFFGFXTWUOZCK-UHFFFAOYSA-N 277.327 2.758 30 40 CFEB C#CCCCOC(=O)c1cc(Cl)c2c(c1)OCCO2 83812487 YRSMRQNNOBXUMD-UHFFFAOYSA-N 280.707 2.681 30 40 CFEB Cc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 72461828 JERGPKHOQLBISF-AWEZNQCLSA-N 296.330 2.964 30 40 CFEB C[C@H](Nc1ccc(C#N)nc1)[C@H](O)c1ccc(F)cc1 195575306 XFPOPSGZQBIBBJ-BONVTDFDSA-N 271.295 2.626 30 40 CFEB CC(C)COc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cn1 86296592 FMQJGEBSAARAIO-LBPRGKRZSA-N 290.367 2.882 30 40 CFEB N#C[C@H](C(=O)c1noc2c1CCCCC2)c1ccccn1 97103238 QLXPLNHKLHZEEY-LBPRGKRZSA-N 281.315 2.829 30 40 CFEB O=C1C(=Cc2ccc(O)cc2)C(=O)c2ccccc21 174811 GEHLQFUBQVMQCB-UHFFFAOYSA-N 250.253 2.855 30 40 CFEB biogenic CN(C)/C=C(/C(=O)c1cccs1)C(=O)C(F)(F)F 2577700 HMKYPMUUZCJODN-SREVYHEPSA-N 277.267 2.508 30 40 CFEB N#Cc1ccc(CCC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 208021554 PRDFBTALVPJKOV-HOTGVXAUSA-N 266.344 2.810 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 10286990 ZCSGWNMSJQOILB-LBPRGKRZSA-N 282.265 2.973 30 40 CFEB COc1ccc(OC)c(C(=O)COc2ccccc2C#N)c1 97748 FUIKNNGSYXYUPO-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB CN(Cc1ccc(C#N)cc1)Cc1nnc(C(C)(C)C)o1 46856740 ASYZTFUTIJNSIW-UHFFFAOYSA-N 284.363 2.871 30 40 CFEB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(C#N)c2)C1 47415979 WIBXUZKLJOFHLA-GJZGRUSLSA-N 299.418 2.656 30 40 CFEB CC[C@@H](CC#N)NC(=O)c1csc(Br)c1 54184123 XPOXJPAWTFQRKH-QMMMGPOBSA-N 287.182 2.933 30 40 CFEB O=C(Nc1cccc([N+](=O)[O-])c1)O/N=C1/CCCCCN1 3170801 DOJMHJMQTOZFDI-UHFFFAOYSA-N 292.295 2.620 30 40 CFEB CCCCCOc1ccc(/C=N/n2cnnc2)cc1OC 1916009 COPYXGWJMXWAFI-VCHYOVAHSA-N 288.351 2.738 30 40 CFEB O=C1C=C/C(=N\Nc2cccc(F)c2)c2ncccc21 108154812 BWOBKOULPMZVBI-CPNJWEJPSA-N 267.263 2.789 30 40 CFEB Clc1ccc(N/N=C2\C=NN=C2c2ccncc2)cc1 100401588 STLAFMOCJVIZSN-CPNJWEJPSA-N 283.722 2.992 30 40 CFEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC1 63777134 DBHLXLSZNAWNRB-UHFFFAOYSA-N 257.337 2.641 30 40 CFEB COC(=O)c1ccc(OCc2ccccc2C#N)cc1 7005179 HGMWXYYCYWFKMF-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB C#CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1 71888144 KXCOFFVOFUQXRP-IAGOWNOFSA-N 292.338 2.836 30 40 CFEB COc1ccc(CC(=O)N(CCC#N)[C@H](C)C2CC2)cc1 69594581 UZXLJUSWSGJNKH-CYBMUJFWSA-N 286.375 2.778 30 40 CFEB CCOCCC1(C/N=C(\N)N2CCC[C@H](C)C2)CCC1 97016377 AFNXKLMBJKEYHR-AWEZNQCLSA-N 281.444 2.630 30 40 CFEB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 69741047 PGTOLCYYJIYNSR-IRXDYDNUSA-N 297.402 2.647 30 40 CFEB COC(=O)[C@@H]1C(=O)C=C(Cl)C[C@H]1c1ccccc1 64861141 JAFKKXXJMCCQRO-AAEUAGOBSA-N 264.708 2.655 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C 408710073 NRORRYCLVMOKID-KGLIPLIRSA-N 282.428 2.768 30 40 CFEB N#Cc1cccc(COc2ccc(OCCO)cc2)c1 92316300 PCMNCRJPMYSSQU-UHFFFAOYSA-N 269.300 2.508 30 40 CFEB CCO[C@@H](C)OCC#Cc1ccc(OC)c(F)c1 95632205 UBPDJPDKKIFXQN-LLVKDONJSA-N 252.285 2.585 30 40 CFEB CSc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 642814424 IDMWBALBNKZJES-UHFFFAOYSA-N 268.162 2.847 30 40 CFEB CCCCCC#CC[C@H](O)[C@@H](O)COCc1ccccc1 5782292 BOIFQAQIEVVUJL-ROUUACIJSA-N 290.403 2.899 30 40 CFEB C[C@@H]1CCC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1C 4847006 QNMCZQYMRXCADO-NFAWXSAZSA-N 286.375 2.878 30 40 CFEB COc1ccc(CC(=O)OCc2cccc(C#N)c2)cc1 5473733 ACMXKFSYQXCBNJ-UHFFFAOYSA-N 281.311 2.853 30 40 CFEB COc1cccc([C@H](C#N)N2N=C(C)CC2(C)C)c1O 89100 QIOPKDPYEYUMOE-LBPRGKRZSA-N 273.336 2.826 30 40 CFEB N#Cc1ccc(Oc2ccc3ccc(=O)oc3c2)nc1 32869444 HUNBRQKXQMYONO-UHFFFAOYSA-N 264.240 2.852 30 40 CFEB CC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 3583270 LZLOPEAGXPXQIN-UHFFFAOYSA-N 291.782 2.882 30 40 CFEB CN1CCS/C1=N\c1ccc(OC(F)F)cc1 102958675 BQNOQIZKEFYKCR-KAMYIIQDSA-N 258.293 2.954 30 40 CFEB Cc1ccc(S(=O)(=O)N(CC#N)c2ccccc2)s1 57605528 HQDDCWVOIDOGSL-UHFFFAOYSA-N 292.385 2.775 30 40 CFEB CC1=C(C)[C@]2(C)[C@@H]3C(=O)C=CC(=O)[C@@H]3[C@]1(C)C(=O)C2(C)C 100818392 RQFQLKCULHEKLG-MJSCVDMRSA-N 286.371 2.898 30 40 CFEB Cn1cc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cn1 58179740 KAIVPYFFYKINPJ-AATRIKPKSA-N 296.355 2.835 30 40 CFEB N#Cc1cnc(SCc2cccc3cccnc23)nc1N 11396759 KWSGPUVUKBHIEG-UHFFFAOYSA-N 293.355 2.771 30 40 CFEB Cc1cccc2c1OCC/C(=C\c1csnn1)C2=O 48354395 XPXYTSLZBPFGJW-JXMROGBWSA-N 272.329 2.895 30 40 CFEB Cc1cc(C)c(C#N)c(SCC(=O)c2cccn2C)n1 9322030 MVUWFSJSNHJADM-UHFFFAOYSA-N 285.372 2.884 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccncc1 4864192 YUOARMVXZAWSGU-VCHYOVAHSA-N 251.293 2.794 30 40 CFEB Cc1cccc(NC(=O)COc2cccc(/C=N\O)c2)c1 409257040 RDVHLBNFVMDIQH-YVLHZVERSA-N 284.315 2.821 30 40 CFEB Cc1nc2c(s1)CN([C@@H](C#N)c1ccco1)CC2 41194203 UHBXRPUWAIAZAV-NSHDSACASA-N 259.334 2.668 30 40 CFEB C[C@H](N)[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 70175085 CZZWCAXSEMXIGF-WDEREUQCSA-N 263.772 2.775 30 40 CFEB CCOC(=O)[C@@H]1S/C(=N\c2ccccc2)N=C1C 16957293 XNVJJISCTSFQKL-XGOYLDHDSA-N 262.334 2.814 30 40 CFEB C/C=C/C=N\n1c(CCC)nc2ccccc2c1=O 17023971 GRUFOBAOOWKKLV-NFGZENQUSA-N 255.321 2.759 30 40 CFEB O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(O)cc1O 17300272 SQQNYFMYKXCRKD-KTAJNNJTSA-N 284.267 2.723 30 40 CFEB COc1cccc(/C=N/N2CCCCCC2)c1OC 1631181 WTBKTSXTYDEYBY-FOWTUZBSSA-N 262.353 2.914 30 40 CFEB C=CCC(/C=C/C(C)C)(C(=O)OCC)C(=O)OCC 1717298 CZQQJNOTRIIYOF-PKNBQFBNSA-N 268.353 2.887 30 40 CFEB N#Cc1ccc(NC(=O)CSc2ccncc2)cc1 24923543 YGAIFAZNZFCZEF-UHFFFAOYSA-N 269.329 2.684 30 40 CFEB CN(CCC#N)C(=O)Cc1ccc(C(F)(F)F)cc1 51770745 LSRCOXCTUYZAGY-UHFFFAOYSA-N 270.254 2.620 30 40 CFEB CC[C@H](C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1 2805299 SVBIKNBHBXBGNV-CYBMUJFWSA-N 288.738 2.998 30 40 CFEB CC#CCSc1nnc(-c2ccc(C)cc2)n1C 78926835 QAOIBIXMQPJOGI-UHFFFAOYSA-N 257.362 2.906 30 40 CFEB O=C(O)c1ccc(N/N=C2\C(O)=Nc3ccc(F)cc32)cc1 7890751 OGPCJLUYVBBOKA-UHFFFAOYSA-N 299.261 2.942 30 40 CFEB Cc1c(C(=O)/C=C/c2cnn(C)c2)cnn1-c1ccccc1 23610076 BUVHRBGJKARJGO-CMDGGOBGSA-N 292.342 2.810 30 40 CFEB COc1cccc(NC(=O)C[N+](C)(C)C2CCCC2)c1 24155876 JKZQMSWKCYWXHW-UHFFFAOYSA-O 277.388 2.653 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2cccc(OC)c2)o1 58265082 CWUWOWQEPFIOIT-SOFGYWHQSA-N 286.283 2.971 30 40 CFEB N#Cc1c2c(c(=S)n(Cc3ccccn3)c1N)CCCC2 9061249 YDSAWCHRFJPSCY-UHFFFAOYSA-N 296.399 2.994 30 40 CFEB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncccc1C#N 72276533 FJBQJHOFXOAQHZ-AWEZNQCLSA-N 281.363 2.645 30 40 CFEB CCc1ccc(C(=O)N[C@H](C#N)c2ccccc2F)o1 71889053 BGMHVQFZHREOFS-CYBMUJFWSA-N 272.279 2.976 30 40 CFEB C[C@@H]([C@@H](C)NCc1cc(C#N)ccc1F)n1cccn1 69813491 NWMVVIRDQKKNLB-NEPJUHHUSA-N 272.327 2.633 30 40 CFEB N/N=C1/C[C@@H](C(=O)O)[C@@H]2c3ccccc3-c3cccc1c32 217613696 UJTAOKCPHZWBHD-IXNZMXAVSA-N 278.311 2.566 30 40 CFEB CCc1nc(SCc2ccc(F)cc2)nc(N)c1C#N 225891555 RYSZKSXXPKGTRC-UHFFFAOYSA-N 288.351 2.924 30 40 CFEB N#C[C@@H](C(=O)CCc1ccco1)c1ccc(F)cn1 80421164 TWSRCEXIMYIERP-GFCCVEGCSA-N 258.252 2.623 30 40 CFEB CC(C)(C)OC(=O)N1CCC(C#N)(c2cccnc2)CC1 199186449 FDNWDFSSIBIHFC-UHFFFAOYSA-N 287.363 2.874 30 40 CFEB CC(C)(C#N)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 96491241 JHPOIQZLAZYLAT-STQMWFEESA-N 292.766 2.836 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)c1ccc(C)cc1 3123191 UUDSJLWLKDRGQR-PEZBUJJGSA-N 255.273 2.593 30 40 CFEB CC1(C)OB(c2ccc(NC3CCCC3)nc2)OC1(C)C 206102298 VPMYRZBHLFQWQN-UHFFFAOYSA-N 288.200 2.735 30 40 CFEB C#CCOc1ccc2ccccc2c1CN1CCOCC1 20218665 CGPHSIXFFYTXPJ-UHFFFAOYSA-N 281.355 2.684 30 40 CFEB O=S(=O)(/N=C/c1c[nH]c2ccccc12)c1ccccc1 141328 HLDGMPZHVCYCPL-GZTJUZNOSA-N 284.340 2.976 30 40 CFEB N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 78984874 UUWVEYNXLAKNEE-LBPRGKRZSA-N 285.234 2.619 30 40 CFEB Cc1noc(CCNc2ccc(C#N)c(C(F)(F)F)c2)n1 71899481 MNQJPRKBGZCBLW-UHFFFAOYSA-N 296.252 2.923 30 40 CFEB C[C@H](CC#N)NC(=O)c1c(Cl)c2ccccc2n1C 65542343 JZEADYRJNQPVAO-SECBINFHSA-N 275.739 2.864 30 40 CFEB O=C(/C=C/Sc1nc[nH]n1)c1ccc(Cl)cc1 5763322 YHEOXPXTWLCZEJ-AATRIKPKSA-N 265.725 2.947 30 40 CFEB CC(C)CC[C@@H](C)NC(=O)COc1ccccc1C#N 6859543 LZZGOFZXGOBRGU-CYBMUJFWSA-N 274.364 2.878 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccc(Cl)cc1 8383627 DDJOIKUARWSPEQ-ZROIWOOFSA-N 261.108 2.867 30 40 CFEB in-vitro C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1 72272053 XYBJBDJCOSOAKN-RYUDHWBXSA-N 280.393 2.788 30 40 CFEB N#Cc1ccc(N[C@@H]2CCO[C@H]2c2ccccc2)nc1 96447457 IQOQQDDYIVSLKW-ZBFHGGJFSA-N 265.316 2.895 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CNc1cc(F)c(F)cc1F 97236924 QYDZCSPQGXOXDY-SECBINFHSA-N 299.296 2.524 30 40 CFEB COC(=O)CC1(NCc2cccc(C#N)c2)CCCC1 280387832 KDSCBSSMCMUWBR-UHFFFAOYSA-N 272.348 2.524 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)cc1 64926240 OLDWCYHPMBWGRX-JXMROGBWSA-N 298.342 2.720 30 40 CFEB COc1ccc([C@H](C/N=C(/C)N)N2CCCCC2)cc1 69950930 TZHIGKWIXVOMHP-INIZCTEOSA-N 275.396 2.599 30 40 CFEB N#CC(C#N)c1nc2ccccc2nc1N1CCCCC1 1940174 KHNBUDNFSFVCKW-UHFFFAOYSA-N 277.331 2.751 30 40 CFEB COC1=CC(=O)C([C@@H](C)c2ccc(OC)cc2)=C/C1=N/O 17131258 MHOMMLPZUKOGQB-PXAAABLISA-N 287.315 2.668 30 40 CFEB C[C@H](SC1=NCCS1)C(=O)NC1(C#N)CCCCC1 10022973 ZKDBZSRRCJSGMX-JTQLQIEISA-N 297.449 2.554 30 40 CFEB C=C(C)C(=O)Nc1ccc2nn(-c3ccccc3O)nc2c1 1560637 NMOXHAYRTDPINE-UHFFFAOYSA-N 294.314 2.641 30 40 CFEB C[C@@H](O)c1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1 53755975 CFVHDQOOJCKDJU-GFCCVEGCSA-N 295.342 2.933 30 40 CFEB COC(=O)c1cc(CN(C)Cc2cccc(C#N)c2)oc1C 26324389 GBZVXSMDFUFNEL-UHFFFAOYSA-N 298.342 2.878 30 40 CFEB CC(C)(CO)/N=C\c1ccc(Br)cc1 100523420 INCPFBYQITVHEI-QPEQYQDCSA-N 256.143 2.639 30 40 CFEB CCn1c(SCC#N)nc2sc(C)c(C)c2c1=O 2181081 UYMQYGDVJJCTLE-UHFFFAOYSA-N 279.390 2.710 30 40 CFEB C=CCNC(=O)C[C@H](C)[C@@H](CCCCC)C(=O)O 2294923 UMQNEISULVSVQF-NWDGAFQWSA-N 255.358 2.596 30 40 CFEB CCCCCCCC(=O)N[C@@H](C(=O)O)C(C)(C)C 59269352 PBJVSQNKLCGXRU-LBPRGKRZSA-N 257.374 2.962 30 40 CFEB N#Cc1ccc(OCCOC(=O)COc2ccccc2)cc1 10732121 YNMSKOVZMBBKGB-UHFFFAOYSA-N 297.310 2.559 30 40 CFEB CN(C)[C@H](CNc1ncccc1C#N)C1CCCCC1 45802204 LXJSBZSZIMRLPP-OAHLLOKOSA-N 272.396 2.876 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1c(F)cccc1F 3445446 RSJXCRWOIDKNAO-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])o1 4590064 KHFVJEWSRCFERM-KPKJPENVSA-N 276.208 2.542 30 40 CFEB CC[C@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl 69558360 UQYINGQQBHEDMR-NXEZZACHSA-N 266.728 2.526 30 40 CFEB Cc1c(/C=C2\Oc3cc(O)ccc3C2=O)cc(C#N)n1C 96930450 ZAUZWHKLWMVOMC-UUASQNMZSA-N 280.283 2.527 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)[C@H]1CC=CCC1 79102220 OZQWKHKTSCYLAP-JTQLQIEISA-N 259.371 2.818 30 40 CFEB CCCCCCCCC/C=C/[C@@H](O)[C@H](N)C(=O)OCC 504201967 KLGSSMZKPJPOGR-WCVFXIOZSA-N 285.428 2.935 30 40 CFEB C=C[C@H](C)NC(=O)N(C)CC1(c2ccccc2)CC1 195571917 GMPJKMYOFDEEKE-ZDUSSCGKSA-N 258.365 2.934 30 40 CFEB CC[C@@H](C#N)NC(=O)CCc1cccc(Cl)c1 69416461 CMYFAUHWSYKYRY-LBPRGKRZSA-N 250.729 2.691 30 40 CFEB Fc1cc(F)cc(C#CCO[C@H]2CCCCO2)c1 95631911 UFWLRRVFAHHJBL-AWEZNQCLSA-N 252.260 2.860 30 40 CFEB COc1ccc2c(c1)C(=O)[C@@]1(CC2)O[C@H]1c1cccnc1 13283818 HCJLUWDSJCXYEY-DLBZAZTESA-N 281.311 2.729 30 40 CFEB O=S(=O)(c1ccccc1)[C@@H]1CCC=CCC/C1=N\O 17779447 IRKKJECKTPKWME-WKSMNZEISA-N 279.361 2.789 30 40 CFEB N#Cc1c(F)cccc1Sc1n[nH]c(C2CC2)n1 263656831 CUFYKPPXDMIDPB-UHFFFAOYSA-N 260.297 2.844 30 40 CFEB C#CCSc1nnc(NC(=O)Nc2cccs2)s1 5253553 AEHXQINMTXHZBZ-UHFFFAOYSA-N 296.402 2.969 30 40 CFEB CC(NN(C)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O 100585989 AQRGDRCGEMWKLO-UHFFFAOYSA-N 286.375 2.860 30 40 CFEB Cn1cnnc1S/C=C/C(=O)c1ccc(Cl)cc1 174161 RVMJSZHSZRDHRF-VOTSOKGWSA-N 279.752 2.957 30 40 CFEB CSC[C@@](C)(O)CNc1cc(Cl)ccc1C#N 79017147 QTVZSNHTERXKPJ-LBPRGKRZSA-N 270.785 2.738 30 40 CFEB C=CCNC(=O)Cn1c(SC(F)F)nc2ccccc21 12544417 AQCMSEPHSAEANF-UHFFFAOYSA-N 297.330 2.653 30 40 CFEB C[C@@H]1CN(c2ncccc2C#N)C[C@@H](c2ccsc2)O1 110682006 DGXUGHATHPRBRV-RISCZKNCSA-N 285.372 2.981 30 40 CFEB C#CCNC(=O)NCc1cccc(Oc2ccccc2)c1 59039269 KABGPKFGTQTJSM-UHFFFAOYSA-N 280.327 2.911 30 40 CFEB C#CCN1C(=O)CCSc2ccc(Cl)cc21 4042663 BANAMJRTURPIHF-UHFFFAOYSA-N 251.738 2.802 30 40 CFEB Cc1c(/C=C2/CCc3ccccc3C2=O)cnn1C 16989228 SSMPENLTJDTTFF-LCYFTJDESA-N 252.317 2.941 30 40 CFEB C=CCNC(=O)c1snc(-c2ccc(C)cc2)c1N 62007050 DCWYNVGLJWWLKG-UHFFFAOYSA-N 273.361 2.617 30 40 CFEB C[C@@]12C=CC=C[C@H]1NC(=C1C(=O)c3ccccc3C1=O)C=C2 4262803 CGYGWHFQDJJFRU-BEFAXECRSA-N 289.334 2.980 30 40 CFEB biogenic C=CCN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O 409126378 BRONZDJUGMCUJK-DHZHZOJOSA-N 296.248 2.784 30 40 CFEB Cc1ccc(N2CCCC2)c(C(=O)N2CCC(C#N)CC2)c1 95960040 PDJYBTVFUYPAGL-UHFFFAOYSA-N 297.402 2.971 30 40 CFEB O=[N+]([O-])c1ccc(/N=C\c2cccc([N+](=O)[O-])c2O)cc1 97359910 FXMDETNQUFEBSY-ZSOIEALJSA-N 287.231 2.959 30 40 CFEB C#CCSc1sc(C(=O)OC)c(O)c1Cl 96510987 FJDZNPAQSPRWPY-UHFFFAOYSA-N 262.739 2.619 30 40 CFEB Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)c(Cl)cc1F 98019337 HKWLOFXFFPWQCS-CYBMUJFWSA-N 298.770 2.917 30 40 CFEB N#C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F 259871621 NCHVAHMCEGHKKP-CHWSQXEVSA-N 262.284 2.507 30 40 CFEB O=C(COc1ccccc1/C=N/O)Nc1ccccc1 13747798 XUSBPICRSVMZRY-MHWRWJLKSA-N 270.288 2.512 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2cccc(OC)c2)c1 20034511 ZRTOFSYMJOHGHT-UHFFFAOYSA-N 280.327 2.727 30 40 CFEB C=CCNC(=O)NCCSc1ccc(Cl)cc1 32862631 YCDJWJSYNKAIAH-UHFFFAOYSA-N 270.785 2.917 30 40 CFEB CC(=O)Nc1ccc(/N=C/c2ccc(O)c(O)c2)cc1 561359 WZYQRESXOVNRTE-CXUHLZMHSA-N 270.288 2.807 30 40 CFEB C=C/C=C/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8580361 BJHIKAWRMVMKTI-CNZVHAPTSA-N 262.225 2.643 30 40 CFEB N#Cc1cc(F)c(NCc2ccc(C(N)=O)cc2)c(F)c1 58278580 QEPHMSRVQLKOFY-UHFFFAOYSA-N 287.269 2.547 30 40 CFEB COc1ccccc1CN/N=C/c1ccc([N+](=O)[O-])cc1 20761949 TUJVWKLGWORCRA-MHWRWJLKSA-N 285.303 2.727 30 40 CFEB CCN(C/C(O)=N/c1nncs1)Cc1ccccc1C 48573305 ZSULRFUVBAZVOY-UHFFFAOYSA-N 290.392 2.957 30 40 CFEB COc1ccc(O)c(/C=N/N=C/c2cccc([N+](=O)[O-])c2)c1 4705059 VJWKMDCGEIOXCP-CZCYGEDCSA-N 299.286 2.762 30 40 CFEB Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O 5783922 RTAUGTZBLILHLD-VIZOYTHASA-N 278.695 2.903 30 40 CFEB in-vitro Cc1ccc(NC[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)nc1 97203784 IFLUXMVICZVMDC-HOTGVXAUSA-N 297.406 2.567 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2ccc(F)cc2F)c1 7974159 NUFRLDKUXFVLRS-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB N#Cc1ccc(CNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c(F)c1 74128193 WHEALJLKYKRDIX-GJZGRUSLSA-N 299.349 2.805 30 40 CFEB COC(=O)[C@]1(C)O[C@]1(C)c1ccccc1Br 85657896 YDTQTVDNNUAZHY-NEPJUHHUSA-N 285.137 2.626 30 40 CFEB COc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1O 9954491 ASSZJDFKVONIPK-YRNVUSSQSA-N 282.295 2.929 30 40 CFEB C=CCCC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639861 CTRHGANYFFVWGQ-GFCCVEGCSA-N 287.281 2.821 30 40 CFEB C=CCOc1c(Br)cc(F)cc1C=O 225270736 UNSFBPXAHDLGPS-UHFFFAOYSA-N 259.074 2.966 30 40 CFEB CCOCCOc1c(N)cc(C#N)n1Cc1cccc(C)c1 225876575 NZQDMTDGVMNCJC-UHFFFAOYSA-N 299.374 2.714 30 40 CFEB Cc1cccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)c1 256048974 XLGFYTBCUYRANL-UHFFFAOYSA-N 281.363 2.684 30 40 CFEB C=CC[C@H](CC)NC(=O)NCCc1cn2ccccc2n1 252494347 NSSUAKJRUNMHKM-ZDUSSCGKSA-N 286.379 2.531 30 40 CFEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3)n2)cn1 585291145 LAMGEWULAFQIJQ-ZDUSSCGKSA-N 265.320 2.516 30 40 CFEB CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)[C@@H](CC)C1 84736311 QVZVOEYGZYPTML-IRXDYDNUSA-N 299.418 2.685 30 40 CFEB CC(=N/O)/C(=N\O)c1ccc(NC(=O)c2ccccc2)cc1 17430581 ZJFVXYOXWTVGOC-WQDROVKFSA-N 297.314 2.967 30 40 CFEB C#CCOc1ccc(Br)cc1/C=C/C(=O)O 6373386 CYRJCONUSKSLEF-ZZXKWVIFSA-N 281.105 2.559 30 40 CFEB C=CCN(CC=C)C(=O)CN(C)[C@H]1CCc2ccccc21 40049991 LZWYZUZFAWTSCC-KRWDZBQOSA-N 284.403 2.806 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1nc(CC)c(C)s1 58086697 QIZHMHZMZYQEKY-QMMMGPOBSA-N 254.355 2.544 30 40 CFEB COc1cc(NC(=O)C2(C#N)CCCC2)cc(OC)c1 7334506 ZSRDKRXMIJQYNB-UHFFFAOYSA-N 274.320 2.726 30 40 CFEB C=CCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 64480449 GUDCNVUCNIOTSG-UHFFFAOYSA-N 278.783 2.674 30 40 CFEB N#Cc1ccc(CNC(=O)CCc2ccsc2)cc1 84403045 SJMGUOBFKRMIJV-UHFFFAOYSA-N 270.357 2.869 30 40 CFEB CC[C@](C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)[C@H](C)O 97145301 LCXMNNZSFKMLEK-IINYFYTJSA-N 277.324 2.675 30 40 CFEB C=C(C)CN1CC[C@@H](CN(C)Cc2scnc2C)C1 195260838 NIEBJQOMSCNBGT-AWEZNQCLSA-N 279.453 2.781 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@@H]2CC=CC[C@H]2C1 98013202 ZBOXSURNYLUGBX-RYUDHWBXSA-N 258.346 2.658 30 40 CFEB CCCN(CCC)c1nn(-c2ccccc2F)nc1C#N 256045718 AQPMYEUPIKOLOY-UHFFFAOYSA-N 287.342 2.904 30 40 CFEB N#Cc1nnc2ccccc2c1NCC1(O)CCCCCC1 77225542 CBLGOEQSFXMUIP-UHFFFAOYSA-N 296.374 2.999 30 40 CFEB N#C[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 19935023 AEIYKBMCHVJDRP-LBPRGKRZSA-N 271.147 2.890 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 6362233 HEDJTJUMVQVFJU-UHFFFAOYSA-N 286.356 2.862 30 40 CFEB O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 100253835 XGUYXXZKFDBJND-UHFFFAOYSA-N 294.266 2.970 30 40 CFEB N#Cc1ccc(OC(=O)CCc2ccc3c(c2)OCO3)cc1 10406263 BMAUEUGGCRHWCI-UHFFFAOYSA-N 295.294 2.825 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(F)c2F)c1 40231118 ZNHWAJUFEFLZCQ-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C=CCN1C(=S)N[C@H]2C[C@@]1(C)Oc1ccccc12 101243941 KMAAALXYWHNMAJ-SMDDNHRTSA-N 260.362 2.603 30 40 CFEB N#C[C@H](Cc1ccncc1)C(=O)Nc1ccc(F)cc1 419725 NSOPWTVXIYXWGT-LBPRGKRZSA-N 269.279 2.542 30 40 CFEB C=CCO/N=C1\CC(C)(C)CC(=O)[C@H]1C(=O)CCC 102942557 YMMRKNYKBVXAAS-DSQDWWTGSA-N 265.353 2.920 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 24346812 SVJMFMPETXTAEB-UHFFFAOYSA-N 293.294 2.747 30 40 CFEB C#CCC1(C(=O)N[C@H]2CCc3ccccc32)CCC1 95444775 IEYYDEZTDZZKPH-HNNXBMFYSA-N 253.345 2.984 30 40 CFEB COc1ccc(C(=O)c2ccccc2C#N)cc1OC 12860373 GYAFLRUIQGTKFF-UHFFFAOYSA-N 267.284 2.806 30 40 CFEB Fc1cccc(F)c1/C=N/NC(=S)Nc1cccnc1 13878985 YPKXLZGTGYNKFC-CAOOACKPSA-N 292.314 2.680 30 40 CFEB COc1ccc(/C=N/OCc2c(C)noc2C)cc1OC 6231005 FQUSITQSCWEHCD-LZYBPNLTSA-N 290.319 2.859 30 40 CFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(C(=O)O)cc1 4460145 RRXHICFINQISSO-UVTDQMKNSA-N 293.278 2.729 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1cccc(-n2cccc2)c1 68082064 AVCKJNFLLYCGNY-CYBMUJFWSA-N 267.332 2.709 30 40 CFEB CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1/C2=N\O 22241220 LPHDYKCTQHQVKE-BMRADRMJSA-N 297.270 2.760 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1cccc(F)c1 408707121 KGLYWGQWEGHZJN-UHFFFAOYSA-N 280.343 2.851 30 40 CFEB CCCCN1C(=O)/C(=N\O)c2c(Cl)cccc21 46085004 ULSYKTJXCUDXBN-KAMYIIQDSA-N 252.701 2.665 30 40 CFEB CCCn1nc(OCc2ccccc2C)c(C#N)c1N 225830741 GWCCPNRHHRAFAS-UHFFFAOYSA-N 270.336 2.634 30 40 CFEB CSc1nc(N)c(C#N)c(COc2ccccc2C)n1 223682094 TWHQZPNLROTINY-UHFFFAOYSA-N 286.360 2.540 30 40 CFEB Nc1nnc(S[C@H]2CCCCCC/C2=N/O)s1 5612832 SSKHKBGEKZHAPB-DPVXPKBMSA-N 272.399 2.765 30 40 CFEB CCc1nnc(C2CCN(c3ncccc3C#N)CC2)s1 2086848042 TVFPPVKWHUXUPB-UHFFFAOYSA-N 299.403 2.751 30 40 CFEB Cc1nn(C)cc1-c1cc(C(F)(F)F)n(CCC#N)n1 12394916 NNUQEOYJEVRJMC-UHFFFAOYSA-N 283.257 2.525 30 40 CFEB N#Cc1ccc(O)c(NC(=O)c2cccc3cc[nH]c23)c1 78998395 OHQNXSBGUNLDCF-UHFFFAOYSA-N 277.283 2.997 30 40 CFEB N#Cc1ncn(Cc2csc(C3CCCCC3)n2)n1 42154252 CFBQSMSJKBBNHA-UHFFFAOYSA-N 273.365 2.702 30 40 CFEB CC(C)(C#N)OC(=O)c1ccc(Br)cc1 3078674 PUSUUYMLGNDJCO-UHFFFAOYSA-N 268.110 2.908 30 40 CFEB N#Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 3289551 MIOWBYMMADQCQA-UHFFFAOYSA-N 282.255 2.823 30 40 CFEB C=CCNc1oc(COc2ccc(OC)cc2)nc1C#N 1805376 IHZXDOGGWWLNQJ-UHFFFAOYSA-N 285.303 2.732 30 40 CFEB C[C@H]([C@H](O)c1ccccc1)N(C)[C@@H](C#N)c1ccc(N)cc1 20112761 ZZYJDAMABKFMEP-BVGQSLNGSA-N 295.386 2.887 30 40 CFEB biogenic C[C@@H](CNC(=O)C1(C#N)CCCC1)Oc1ccccc1 70911079 ZAXNTUCJLVFDCP-ZDUSSCGKSA-N 272.348 2.654 30 40 CFEB CN(C)[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 97096769 VZNZMVSOUWRGMU-LLVKDONJSA-N 283.297 2.717 30 40 CFEB COc1cccc(CNCc2cc(C#N)n(C)c2C)c1 14180531 ZMJSMRNGZHLLAV-UHFFFAOYSA-N 269.348 2.504 30 40 CFEB C=CCc1c(C)nc(C)nc1N/N=C/c1ccccc1O 4763670 XAGCHARTNJUMPC-LICLKQGHSA-N 282.347 2.974 30 40 CFEB C#CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)OC)cc1 95962265 JGDXTZABMHHGDM-NSHDSACASA-N 289.335 2.788 30 40 CFEB Cc1nc(CN(C)C[C@H](C#N)CCC#N)nc2ccccc12 95972534 ULASTEKSTYGKBE-AWEZNQCLSA-N 293.374 2.814 30 40 CFEB CCCCCCCCCCN1C[C@H](O)C[C@H]1C(=O)O 71788271 XBCGWWQLHODWNX-KGLIPLIRSA-N 271.401 2.647 30 40 CFEB CCCNc1nn(-c2ccc(Cl)cc2)nc1C#N 256047753 OLTIWQHIAAUJFD-UHFFFAOYSA-N 261.716 2.614 30 40 CFEB CC1=C/C(=N\OC(=O)c2ccccc2Cl)C=CC1=O 5232166 CQAKXWRYGGQBLF-YBEGLDIGSA-N 275.691 2.938 30 40 CFEB Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2 20827610 MIMPHVAWFOHDIM-UHFFFAOYSA-N 271.364 2.713 30 40 CFEB COc1ccccc1C(=O)N(CCC#N)CC(F)(F)F 78968339 AWRMDMJPTONSLI-UHFFFAOYSA-N 286.253 2.613 30 40 CFEB CNC(=N)N/N=C(/c1ccccc1)c1ccc(Cl)cc1 1871537 MCMIBTBCABVWET-RGEXLXHISA-N 286.766 2.836 30 40 CFEB Cc1cccc(C)c1NC(=O)CO/N=C/c1ccccc1O 3209262 WPIPPGMFEPGICK-VCHYOVAHSA-N 298.342 2.998 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc3c(c2)nnn3CC)c1 23359476 XBCNDKOPLVIVMT-UHFFFAOYSA-N 290.326 2.685 30 40 CFEB Cn1cccc1/C=C1/S/C(=N/c2ccc(O)cc2)NC1=O 1279727 OPVZNTUTJJJATK-UKTHLTGXSA-N 299.355 2.622 30 40 CFEB C=CCNc1cc(COC)nc(-c2ccccc2)n1 3105614 CHQUCSFGGICBCY-UHFFFAOYSA-N 255.321 2.888 30 40 CFEB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O 2619921 NCRYVUUVONMELX-SJCJKPOMSA-N 297.358 2.559 30 40 CFEB COc1cc(C)ccc1OCC(=O)Nc1cccc(C#N)c1 3510629 SDXZNPMYDMUNBQ-UHFFFAOYSA-N 296.326 2.893 30 40 CFEB Cc1cc(NC(=O)[C@H](C)Sc2ccc(C#N)cc2)on1 65607818 PMIMCCHHPGEYDB-JTQLQIEISA-N 287.344 2.974 30 40 CFEB N#Cc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 7971671 LFFNBQLIOJLKNK-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB N#CCC[C@@H](C#N)Cn1ccnc1[C@@H](O)c1ccc(F)cc1 189437982 BWWBIRGQPCCFOS-WFASDCNBSA-N 298.321 2.547 30 40 CFEB N#Cc1ccc(C(=O)c2ccc(C3OCCO3)cc2)cc1 43212624 KQLMGDQZPSPFPN-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB C=CCNC(=O)C1CCN(C/C=C/c2ccccc2)CC1 199404413 MYPAVWDIDBXJRC-RMKNXTFCSA-N 284.403 2.714 30 40 CFEB C[C@H](Sc1cccs1)C(=O)N(C)CCC#N 96409110 XLPVNJYPWZSLKY-VIFPVBQESA-N 254.380 2.601 30 40 CFEB COc1cccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095946 CZQQVBYEPDZIKZ-WDEREUQCSA-N 262.227 2.714 30 40 CFEB CC(C)(C)C(=O)/C(=C\n1cncn1)Oc1ccc(F)cc1 255188264 JDSUUYVXCNFKEP-MDWZMJQESA-N 289.310 2.910 30 40 CFEB CN(C)C[C@H]1CCC/C1=N/OC(=O)c1ccccc1 5808150 BPNOHIZSXDLBDZ-XUVDNFPMSA-N 260.337 2.561 30 40 CFEB CC1(C)CC(=O)C(C(=O)/C=C\Nc2ccccc2)C(=O)C1 100098430 BHTVLCWBRJSFDG-HJWRWDBZSA-N 285.343 2.756 30 40 CFEB COC(=O)c1ccc(-n2c(C)cc(C(=O)CC#N)c2C)cc1 3289243 WQMCXOWMMRMABV-UHFFFAOYSA-N 296.326 2.977 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cc(C)ccc1OC 100415204 IHIOGYQUXIAYMQ-PTNGSMBKSA-N 270.716 2.531 30 40 CFEB N#Cc1[nH]c2ccccc2c1I 72319838 LZEVAWNETZNAGR-UHFFFAOYSA-N 268.057 2.644 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1cccc(F)c1 101502117 LHSKJILKUUVNPV-UKTHLTGXSA-N 283.258 2.923 30 40 CFEB Cc1cccc(C(=O)O)c1NC(=O)c1ccc(C#N)cc1 13432562 QNFIMOSAKQQAEG-UHFFFAOYSA-N 280.283 2.817 30 40 CFEB O=c1c2ccccc2nc(O)n1N=C/C=C/c1ccccc1 409358230 KUPCRPNTUJUINZ-ODGAGTQYSA-N 291.310 2.649 30 40 CFEB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C#N)c1 225817002 PWGVVKQQNRHSQY-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB CC1(C)OB(c2cnc(OC3CCCC3)s2)OC1(C)C 198085701 UYXOJLYIUABMCV-UHFFFAOYSA-N 295.213 2.764 30 40 CFEB c1ccc(C2=NN/C(=N\c3ccccn3)SC2)cc1 96480569 JDSAQYGZTZPIKD-UHFFFAOYSA-N 268.345 2.810 30 40 CFEB COCc1cccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 96446494 MIIXBACIFFVFSR-AWEZNQCLSA-N 284.290 2.857 30 40 CFEB CCN(CC)c1nn(-c2cc(C)cc(C)c2)nc1C#N 256045868 BKFFUBZXSSFSLR-UHFFFAOYSA-N 269.352 2.602 30 40 CFEB COc1ccc(OC)c(C#CCO[C@H]2CCCCO2)c1 95632975 BWUNGXTWCLBHCI-INIZCTEOSA-N 276.332 2.599 30 40 CFEB Cc1ccc(S(=O)(=O)OCCCCN=[N+]=[N-])cc1 35270646 VCNIVVPLEIFWQJ-UHFFFAOYSA-N 269.326 2.791 30 40 CFEB in-vitro CCc1n[nH]c(=S)n1/N=C/c1ccc(C)c([N+](=O)[O-])c1 8182888 YSCZLJQQQZUESI-NTUHNPAUSA-N 291.336 2.602 30 40 CFEB C=CCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9530854 GIGGOVUGUQGOJL-UHFFFAOYSA-N 297.383 2.508 30 40 CFEB CO/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403305 ZRYMNUAKPZDRPQ-PEZBUJJGSA-N 252.273 2.715 30 40 CFEB C/C(=N\n1c(-c2ccccc2)n[nH]c1=O)c1ccccc1 100294397 OWXFMEMPTZFVIU-XDHOZWIPSA-N 278.315 2.511 30 40 CFEB C=CCN1C(=O)c2ccccc2NC12CCSCC2 27865561 QCPDVKCRCZHBNZ-UHFFFAOYSA-N 274.389 2.964 30 40 CFEB N#Cc1c(F)cccc1N1CCC[C@@H](N2CCCC2)C1 65576821 GZNSTVXHJRWEOT-CYBMUJFWSA-N 273.355 2.762 30 40 CFEB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C#N)cc1 4835918 QPDLDHFMRMYLMS-JTQLQIEISA-N 258.350 2.888 30 40 CFEB C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1cccs1 7309022 FBYDESPEEODSHM-SNVBAGLBSA-N 292.385 2.659 30 40 CFEB in-vitro N#Cc1cc(N2CCSCC2)nc2ccccc12 68772110 JPOWSGVJCPAPRI-UHFFFAOYSA-N 255.346 2.660 30 40 CFEB CCCCCCCCCCNC(=O)C(=O)NCCC 408707859 MGAMXFVBNXVHQD-UHFFFAOYSA-N 270.417 2.770 30 40 CFEB C#Cc1cccc(OCC(=O)c2cc(OC)ccc2OC)c1 199727396 BJCNKUJNYWLRFO-UHFFFAOYSA-N 296.322 2.947 30 40 CFEB Cc1ccc(C(=O)O)cc1-n1c(C)cc(C#N)c1C 223716385 XYHWUUZTKXTLJZ-UHFFFAOYSA-N 254.289 2.972 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CC1CCCC1 96042044 VJMWXIXMWHGVNS-YQQAZPJKSA-N 293.407 2.528 30 40 CFEB N#C[C@H](C(=O)COC1CCCC1)c1nc2ccccc2[nH]1 48813245 VIMKXANHVJSXAV-GFCCVEGCSA-N 283.331 2.698 30 40 CFEB CN(CCOCc1ccccc1)C(=O)C1(C#N)CCCC1 89346315 DMAHJEWNNIBDHG-UHFFFAOYSA-N 286.375 2.746 30 40 CFEB C(=N/n1cnnc1SCc1ccccc1)\c1ccccn1 147638 CISFRFSZLODNDX-VCHYOVAHSA-N 295.371 2.848 30 40 CFEB COc1ccc(C(=O)O/N=C2/C=CC(=O)C(C)=C2C)cc1 3075798 PATZPVAWFRRVGT-VKAVYKQESA-N 285.299 2.683 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12983395 DHUZXSMHDDQOBL-OAHLLOKOSA-N 290.322 2.732 30 40 CFEB Cc1ccc(O)c(/C(CCCCC(=O)O)=N/O)c1 5541886 PGRLWGRKOAGOHO-SDNWHVSQSA-N 251.282 2.524 30 40 CFEB O=[N+]([O-])c1ccc2c(c1)C(=NO)c1cc([N+](=O)[O-])ccc1-2 1713220 ASHANQNSFRKUPX-UHFFFAOYSA-N 285.215 2.710 30 40 CFEB C/C(=N\c1cccnc1)c1c(O)c2ccccc2n(C)c1=O 100362680 YCJJCZYIWKUQFI-YBFXNURJSA-N 293.326 2.780 30 40 CFEB CCn1c(C)cc(C(=O)N(C)C2(C#N)CCC2)c1C 49314070 IOSOQNBVJMVVJT-UHFFFAOYSA-N 259.353 2.643 30 40 CFEB O=C1C[C@H](c2ccco2)CC2=N[C@H]3CCCC[C@@H]3NC=C12 5201064 CBZHXTFUQISHNY-XBFCOCLRSA-N 284.359 2.965 30 40 CFEB N#CCSc1nnc(-c2cccs2)n1C1CC1 5357807 YPLOAGNALUHIGT-UHFFFAOYSA-N 262.363 2.957 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2ccccc2)c1 4904680 IVFAHCCFEHINRP-UHFFFAOYSA-N 251.289 2.609 30 40 CFEB O=C1COc2ccc(C(=O)/C=C/c3cccs3)cc2N1 7333648 LPLGKRDBOKNCKC-SNAWJCMRSA-N 285.324 2.975 30 40 CFEB O/N=C/c1c(Cl)ncnc1N1CCc2ccccc2C1 96345722 GYBATKJTCKIMDX-CNHKJKLMSA-N 288.738 2.501 30 40 CFEB COc1cccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c1OC 95095958 SWJSSHNPBVAHQW-QPUJVOFHSA-N 292.253 2.723 30 40 CFEB CC(C)Cn1cc(/C=C2\Oc3cc(O)ccc3C2=O)cn1 256049526 AIKSYLLTNSGPPI-WCSRMQSCSA-N 284.315 2.861 30 40 CFEB COc1ccc(F)cc1C#CCO[C@H]1CCCCO1 95633670 PFBKIKURFSNHCG-HNNXBMFYSA-N 264.296 2.729 30 40 CFEB CC(C)OCCC(=O)N[C@@](C)(C#N)C1CCCCC1 71908442 IDSMATLPTZAPOP-HNNXBMFYSA-N 266.385 2.780 30 40 CFEB Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)nc1 95973404 SUQWEGZJIPBTKD-UHFFFAOYSA-N 255.252 2.653 30 40 CFEB COc1ccc(N/N=C(\C=O)C(=O)c2cccs2)cc1 100015667 UGVYPNCFEJCYCE-FOWTUZBSSA-N 288.328 2.606 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)C1 100244616 KDVDCAVTRCBENQ-UHFFFAOYSA-N 288.303 2.849 30 40 CFEB Cc1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 68981 BREKTRHCQZXRJI-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB CCN(CC)CCCOc1cc([N+](=O)[O-])ccc1C#N 1661269 FSINPESCABBMEE-UHFFFAOYSA-N 277.324 2.577 30 40 CFEB C=CCN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 79020178 PINNOPPQWQSPIK-UHFFFAOYSA-N 268.401 2.940 30 40 CFEB CCOc1cccc(/C=N/c2cccc(C(N)=O)c2)c1O 22768294 CWASUMAFZKRAIP-VCHYOVAHSA-N 284.315 2.640 30 40 CFEB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(CC#N)C2 103708570 FSRFSLXWGWWDBH-LSJOCFKGSA-N 258.159 2.605 30 40 CFEB COc1ccc(CN(C)c2ncccc2C#N)c(OC)c1 12814629 PIWDLAJLDDTWPV-UHFFFAOYSA-N 283.331 2.607 30 40 CFEB C/C(=N\N=c1\[nH]c2ccccc2s1)c1ccc(O)cc1O 7894721 NKORNCNMEVYGGM-RQZCQDPDSA-N 299.355 2.966 30 40 CFEB C=C(Cl)CN1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 69535829 SSVOEKZMTYMALR-OKILXGFUSA-N 286.847 2.560 30 40 CFEB N#Cc1ccc(CN2CCC[C@H]2Cn2cccn2)c(F)c1 71875580 UIQNYDNKBXVDNX-HNNXBMFYSA-N 284.338 2.558 30 40 CFEB CC1CCC2(CC1)OC[C@@H](CNCc1ccc(C#N)o1)O2 95991146 SNCANYMFFSTKQX-DSSZZKGTSA-N 290.363 2.563 30 40 CFEB N#CCN1CCC2(CC1)C[C@@H](c1ccccc1)CO2 96220254 KDLPPAMUGSZLQE-OAHLLOKOSA-N 256.349 2.549 30 40 CFEB C=CC[C@@H](CC)NC(=O)Nc1nc(COC)cs1 390835049 BSELGIAGKMKCBF-SECBINFHSA-N 269.370 2.766 30 40 CFEB N#Cc1cnc(Br)c(C(F)(F)F)c1 97758497 HYBDAQSICMATNC-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB C#CCN[C@@H](C)c1ccccc1I 307024895 WWRIMBSUPCALLR-VIFPVBQESA-N 285.128 2.575 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\N=C/c2ccccc2O)cc1 16919728 OGJRDWUBYHHMFQ-VULZFCBJSA-N 269.260 2.753 30 40 CFEB CC(C)C(/C=C/c1ccc(Cl)cc1)=N/NC(=S)NN 17250076 VTLQMLSUPNJTPZ-OCYZPDOUSA-N 296.827 2.703 30 40 CFEB CC[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O 8337243 JILKTMZZUGSLIZ-VIFPVBQESA-N 254.742 2.969 30 40 CFEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC#N 3447323 AWSHJAPZHPEJFS-UHFFFAOYSA-N 293.685 2.654 30 40 CFEB C=C(C)CSc1nncn1-c1cccc(NC(C)=O)c1 32778421 WEKSZEMHUFIKFN-UHFFFAOYSA-N 288.376 2.894 30 40 CFEB CN(C)CCNc1oc(-c2ccc(Cl)cc2)nc1C#N 544883 WZACHRZEDRDGEE-UHFFFAOYSA-N 290.754 2.840 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccccn2)c(O)c1 4706979 IJWKFHRJTHANPS-VMPITWQZSA-N 255.273 2.692 30 40 CFEB N#Cc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1503279 DRVSPDLSVVOSSQ-UHFFFAOYSA-N 278.233 2.787 30 40 CFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccc([N+](=O)[O-])o1 12621024 RMIZYBFOSYUAFL-RSVWSFSXSA-N 251.286 2.785 30 40 CFEB O=C1O/C(=N/c2cccc([N+](=O)[O-])c2)c2ccccc21 104187909 XRMZLXKBLLDZAR-FYWRMAATSA-N 268.228 2.844 30 40 CFEB CCCc1n[nH]c(SCCOc2ccccc2C#N)n1 48834429 KZUXWEUXHHZWDE-UHFFFAOYSA-N 288.376 2.800 30 40 CFEB N#Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)nc1 71804216 PRWFISXIZUERMI-UHFFFAOYSA-N 293.113 2.907 30 40 CFEB CC[C@@H](C#N)NC(=O)Cc1ccc(OCC(C)C)cc1 71883302 NDNDCRKCRNQQMC-AWEZNQCLSA-N 274.364 2.682 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3c(c2)OCO3)c1 4806612 MSRJULONYPRVFP-VIZOYTHASA-N 286.243 2.780 30 40 CFEB CC/N=C(\NCC)NCc1cccc(CN(CC)CC)c1 66243563 WFPUARDGEBFOGK-UHFFFAOYSA-N 290.455 2.603 30 40 CFEB COc1ccccc1CC(=O)Nc1sccc1C#N 7796766 KBLIZFIEMGLLBK-UHFFFAOYSA-N 272.329 2.810 30 40 CFEB C#CCOc1ccc(C(=O)N(CC(F)(F)F)C2CC2)cc1 83812706 BFVYBDYAMJOPKK-UHFFFAOYSA-N 297.276 2.866 30 40 CFEB C[C@H](O)CCNc1ccc(C#N)c(C(F)(F)F)c1 69946464 TXNQMOBYLASQAV-QMMMGPOBSA-N 258.243 2.760 30 40 CFEB C#CCOc1ccc(NC(=O)N(CCC#N)C2CC2)cc1 78937301 CFLOJXLKCFBPLW-UHFFFAOYSA-N 283.331 2.609 30 40 CFEB Cc1ccc(/N=C/c2c(CO)cnc(C)c2O)c(C)c1 5110498 XRENAUBQXBWPJQ-QGMBQPNBSA-N 270.332 2.955 30 40 CFEB Cc1ccc(/C(CNC(=O)OC(C)(C)C)=N/O)cc1 12357088 UAQXCAOHTVNFIN-FOWTUZBSSA-N 264.325 2.698 30 40 CFEB O=C(/C=C\c1ccccc1)NOC(=O)/C=C\c1ccccc1 17104428 BDNJZOLJYVBEHO-XSYHWHKQSA-N 293.322 2.988 30 40 CFEB N#CCN(Cc1ccccc1Br)C1CC1 46782020 UVSLGRANVHTZPG-UHFFFAOYSA-N 265.154 2.937 30 40 CFEB CC(C)n1cc(Nc2ccc(C#N)cc2[N+](=O)[O-])cn1 61683672 KNBRJXBSTUZEGS-UHFFFAOYSA-N 271.280 2.987 30 40 CFEB C#CCNC(=O)c1cc(Cl)c(OCCC)c(OC)c1 22761058 OWYDXNRIQUSMPG-UHFFFAOYSA-N 281.739 2.500 30 40 CFEB O=C(/C=C\Nc1ccc2[nH]ncc2c1)c1ccco1 4725943 AHIYMLLNSITOFJ-WAYWQWQTSA-N 253.261 2.964 30 40 CFEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(O)c(OC)c2)o1 27562473 BERYGZNZPKTPGR-CAOOACKPSA-N 298.302 2.740 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2cccc(F)c2)c1 12750909 HNVZJBIYKSLNFC-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB COCc1cccc(CNC(=O)c2cccc(C#N)c2)c1 36398314 JOCONNHRFMSJSK-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB CCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100317161 JCFNCUAAGWEUNO-UHFFFAOYSA-N 263.724 2.906 30 40 CFEB Cc1ccc(C(N)=O)c(OCc2ccc(C#N)cc2)c1 12848227 QEFMFKDLIIGIQA-UHFFFAOYSA-N 266.300 2.545 30 40 CFEB Cc1cccc(COc2nn(CC(C)C)c(N)c2C#N)c1 225834612 MVECPOYKEAFPPS-UHFFFAOYSA-N 284.363 2.880 30 40 CFEB C=CCn1c(C#N)cc(N)c1N1C[C@@H](C)C[C@@H](C)C1 225867488 AYWNVKAZJCCTAK-TXEJJXNPSA-N 258.369 2.610 30 40 CFEB C#CCN(Cc1ccco1)C(=O)c1ccc(O)c(Cl)c1 49475362 ZJRXNIMDANWBTA-UHFFFAOYSA-N 289.718 2.914 30 40 CFEB Cn1cnnc1CNc1ccccc1C#Cc1ccccc1 97233490 PHLMSSYNLBKHOM-UHFFFAOYSA-N 288.354 2.827 30 40 CFEB O=C(O)c1ccc2c(c1)C(=O)/C(=C/c1ccccc1)C2=O 2339893 KAAZONMQZCIBTC-RIYZIHGNSA-N 278.263 2.847 30 40 CFEB COc1ccc(/C=C2C(=N/O)/C3CCN/2CC3)cc1 13756466 GPVWFCAJCLWTPF-LNQZIOOASA-N 258.321 2.592 30 40 CFEB CC(=O)/C(=N\Nc1ccc(C)cc1)N1CCCCC1 100068061 AZVPNNKJLGUKQN-BMRADRMJSA-N 259.353 2.795 30 40 CFEB COc1cccc(COCC(=O)Nc2cccc(C#N)c2)c1 20261863 MCBWVKBNBHWJEF-UHFFFAOYSA-N 296.326 2.722 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccsc1)c1c(O)n[nH]c1N2 12348652 IEXZYFWCARPPQK-SNVBAGLBSA-N 287.344 2.741 30 40 CFEB N#C[C@@H](C(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 103502398 KPAXMXDUTQEXSY-ZDUSSCGKSA-N 290.750 2.675 30 40 CFEB N#Cc1nnc2cc(-c3ccccc3)nn2c1-c1ccco1 1590878 ACPIBOLNDFJORU-UHFFFAOYSA-N 287.282 2.923 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1ccc(Br)cc1F 37506392 WTYDRCULBYBIOU-QMMMGPOBSA-N 299.143 2.820 30 40 CFEB O=C1Nc2ccc(F)cc2/C1=N/Nc1ccccc1 100380604 MRMJTGRKABSOSE-UHFFFAOYSA-N 255.252 2.594 30 40 CFEB N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 57561367 FGGQYJPFNJAXLQ-MRXNPFEDSA-N 277.327 2.931 30 40 CFEB CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)[C@H](CC)C1 84736310 QVZVOEYGZYPTML-SJORKVTESA-N 299.418 2.685 30 40 CFEB C=CCn1cnnc1SCC(=O)c1ccc(F)c(F)c1 48325252 BLCMXUPMBFODQG-UHFFFAOYSA-N 295.314 2.717 30 40 CFEB CS/C(=N\C#N)N1CCN(c2c(C)cccc2C)CC1 15986930 AXBQCFIUWNUIBP-ICFOKQHNSA-N 288.420 2.626 30 40 CFEB C[S@](=O)c1ccc(CNc2cccc(C#N)c2)cc1 97049505 GSQNTJCCPBODGF-LJQANCHMSA-N 270.357 2.908 30 40 CFEB Cc1cc(C(=O)Nc2ccc(C#N)cc2)c(C)n1C 74702053 KNXXRYJFMIXTTI-UHFFFAOYSA-N 253.305 2.766 30 40 CFEB CCOC(=O)c1cc[n+]([C@@H](C)C(=O)c2ccc(C)cc2)cc1 36627573 CEIPGARHMPRELF-AWEZNQCLSA-N 298.362 2.903 30 40 CFEB CN(C)c1ccc(/C(O)=N/CC(C)(C)C#N)c(F)c1 330803310 IHGYKHODKNZSQU-UHFFFAOYSA-N 263.316 2.746 30 40 CFEB Fc1ccccc1[C@@H](OC[C@H]1CO1)C(F)(F)F 95095928 WEBKBWVOCJAALI-GMSGAONNSA-N 250.191 2.845 30 40 CFEB C=CCN1Cc2nccn2C[C@@H]1c1ccc(OC)cc1 257328360 XFHAMMWSIKPNKJ-OAHLLOKOSA-N 269.348 2.635 30 40 CFEB CC1(C)OB(c2cncc(Oc3cccnc3)c2)OC1(C)C 299738099 UKMHUXNHXZKIBI-UHFFFAOYSA-N 298.151 2.568 30 40 CFEB CC1(C)OB(c2c(F)ccc(F)c2Cl)OC1(C)C 575597481 MSWLHJPECHYYTK-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB C/C(=N/OC(=O)c1cccnc1Cl)c1oc(C)nc1C 33380798 QUUSHYUCXOAUSJ-IUXPMGMMSA-N 293.710 2.921 30 40 CFEB CCc1ccc(/C(C)=C/C(O)=N/S(C)(=O)=O)cc1 76758276 YXZQOHLPXYGBRX-MDZDMXLPSA-N 267.350 2.568 30 40 CFEB Cc1cc2n(c(=O)c1C#N)CCN2c1cccc(Cl)c1 997392 LPVPPONLQTUEOP-UHFFFAOYSA-N 285.734 2.834 30 40 CFEB Cc1ccc(C#N)c(SCC[C@@H]2CCCN2C)n1 6388004 RZTGLWWWMAGQMH-ZDUSSCGKSA-N 261.394 2.838 30 40 CFEB C=CCCNC(=S)NC(=O)c1cc2ccccc2o1 6613895 XCLXVYKNJBZYMK-UHFFFAOYSA-N 274.345 2.613 30 40 CFEB C[C@H](SCc1ccccc1)C(=O)N(CC#N)C1CC1 58342241 QJZLADDLJWIXBD-LBPRGKRZSA-N 274.389 2.823 30 40 CFEB CCCCCCCCCCN1C[C@H](O)C[C@@H]1C(=O)O 103693837 XBCGWWQLHODWNX-ZIAGYGMSSA-N 271.401 2.647 30 40 CFEB C#CCNC(=O)CSc1cc(C)c2cccc(C)c2n1 8561170 LKCQERLOPJYMHP-UHFFFAOYSA-N 284.384 2.693 30 40 CFEB CCc1nc(C#N)c(N/N=C/c2ccc(F)cc2)o1 28467652 SUNKBLRHNZTXOW-LZYBPNLTSA-N 258.256 2.694 30 40 CFEB CS(=O)(=O)C/C(=N/O)c1ccc(-c2ccccc2)cc1 96524436 PIVSQNQKYGDPKI-NXVVXOECSA-N 289.356 2.577 30 40 CFEB CC(=O)C/C(C)=N\CCCC/N=C(/C)CC(C)=O 2046557 UDVOETZXBOGXTH-NFLUSIDLSA-N 252.358 2.647 30 40 CFEB C=CCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 19556096 HCEPMTCMSMNXJJ-UHFFFAOYSA-N 287.363 2.805 30 40 CFEB N#Cc1ccsc1NC(=O)[C@H]1Cc2ccccc2O1 29476680 WYQPFRASCFYPFT-GFCCVEGCSA-N 270.313 2.562 30 40 CFEB N#CCC1(COC(=O)c2ccnc(Cl)c2)CC1 78949139 MMACULSLPONRLY-UHFFFAOYSA-N 250.685 2.586 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 3909426 OWDSNDZARSGGNT-OQLLNIDSSA-N 281.275 2.917 30 40 CFEB CC1=NNC(=O)[C@@H]1[C@@H](c1ccc(C(C)C)cc1)C(C#N)C#N 104815727 VOPCIEVXBIWKMR-HOTGVXAUSA-N 294.358 2.679 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N/N=C/c1ccccc1[N+](=O)[O-] 1637942 SOKNZSTUZCMZHO-KAVGSWPWSA-N 298.258 2.956 30 40 CFEB C=CCCO[C@@H](C)C(=O)NCc1ccc(Cl)cc1 57985384 BDDNOGKQQSPDOV-NSHDSACASA-N 267.756 2.937 30 40 CFEB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1C#N)C2=O 3375973 SOIZEVXSILTZTP-PXAZEXFGSA-N 297.358 2.559 30 40 CFEB CCc1nnc(S)n1/N=C/C=C/c1ccccc1OC 6684840 GNFWKAKNQBHPJW-UYLQCNQNSA-N 288.376 2.685 30 40 CFEB O=C(/C=N/O)Nc1cc(C(F)(F)F)ccc1Cl 16991147 QKQNIHJNRZHPFN-LNKIKWGQSA-N 266.606 2.757 30 40 CFEB COc1ccc2ncc(C#N)c(Br)c2c1 47912998 MAXSLKSGSUIZOI-UHFFFAOYSA-N 263.094 2.878 30 40 CFEB COc1ccc([C@H](C#N)N2CCCCC2)cc1OC 49573689 FQELSXKYURXBIN-ZDUSSCGKSA-N 260.337 2.754 30 40 CFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@@H]1C[C@@H](O)C2 254306213 GOHJOBOSPPHNQS-UCIFAOBLSA-N 290.403 2.604 30 40 CFEB O=CCc1c(Br)cccc1Br 167263103 HLLGVBMZPQPUPZ-UHFFFAOYSA-N 277.943 2.953 30 40 CFEB C(=C(\B1OCCNCCO1)c1ccccc1)\c1ccccc1 204363414 VMCNVUTVKBCQKB-SDXDJHTJSA-N 293.175 2.891 30 40 CFEB COc1ccc([N+](=O)[O-])c(/C=C\C(=O)c2ccccn2)c1 5432257 JYBHPUHCGQGNDG-YVMONPNESA-N 284.271 2.895 30 40 CFEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1 181637 KGVYMFWUNKSLFM-LCYFTJDESA-N 294.266 2.813 30 40 CFEB C[C@H]1CC(=O)C2=C(C1)N1CCc3ccccc3[C@@]1(C)CC2=O 518269 LIJVPONAUFDLFP-CWTRNNRKSA-N 295.382 2.986 30 40 CFEB biogenic COc1cccc([C@H]2CCCC[C@H]2OS(C)(=O)=O)c1 1706492 YUAOBYZCIKFUID-ZIAGYGMSSA-N 284.377 2.698 30 40 CFEB Cc1cccc([C@H]2CCCC[C@H]2OS(C)(=O)=O)c1 1706508 XSFJGIWUKTVDRU-ZIAGYGMSSA-N 268.378 2.997 30 40 CFEB C/C(=C\C(=O)c1cccnc1)Nc1ccc(O)cc1 8680579 YJVDMNPGQGXXGJ-PKNBQFBNSA-N 254.289 2.986 30 40 CFEB O=[N+]([O-])c1ccccc1N[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100964874 STELCCUPGVMPOD-ZUVHPUJKSA-N 261.281 2.635 30 40 CFEB Cc1ccc(C/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1 36394837 YMGVXUPVDHUPEG-UHFFFAOYSA-N 284.241 2.963 30 40 CFEB CCN(CC)CC#C[C@@H](C)OC(=O)c1ncoc1C(C)C 95429452 SIGNFRVYLLIGOP-CYBMUJFWSA-N 292.379 2.689 30 40 CFEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccccn1 13143740 GNSNNRDISOSMCP-OVHYJKADSA-N 282.372 2.960 30 40 CFEB N#Cc1c(N)nc(C(F)(F)F)nc1-c1ccccc1 5395150 RCQVPNSFJRHOGJ-UHFFFAOYSA-N 264.210 2.616 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2ncnc3ccccc23)cc1 4536751 UYTKSCCWTNUTKU-GIJQJNRQSA-N 293.286 2.984 30 40 CFEB CN1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)cc1 15249316 FOVZJUJMUGJVLA-HNNXBMFYSA-N 263.300 2.755 30 40 CFEB C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](C)n1cccn1 69952170 XJTFYQLZGDFISY-VXGBXAGGSA-N 272.327 2.633 30 40 CFEB CC1(C)OB(c2ccc(Cl)c(F)c2C=O)OC1(C)C 226112196 DLIQLWVBIJRKGT-UHFFFAOYSA-N 284.523 2.591 30 40 CFEB N#Cc1ccc(/C=C/C(=O)[C@H](C#N)c2ccccn2)cc1 49456542 YPHBJKGKISPRTL-XVJNWHFHSA-N 273.295 2.843 30 40 CFEB C=CCN(C(=O)c1cc[nH]n1)c1nc2c(s1)CCCC2 84638127 UPHDVWWVURSIRL-UHFFFAOYSA-N 288.376 2.578 30 40 CFEB CC(C)(C)CC(=O)[C@H](C#N)c1nnc2n1CCCCC2 60851241 PHQKXAWAVFZMCW-NSHDSACASA-N 274.368 2.617 30 40 CFEB N#CCCN(C[C@@H](O)c1cccc(Cl)c1)C1CC1 72581057 FQNJOVPCWLCAOV-CQSZACIVSA-N 264.756 2.751 30 40 CFEB O=S(=O)(/N=C(\O)c1ccco1)c1cccc(Cl)c1 42301723 FKCZWSLNCQAUHK-UHFFFAOYSA-N 285.708 2.627 30 40 CFEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)c1 10752651 AHLANHCEVZCJOM-MRXNPFEDSA-N 298.367 2.524 30 40 CFEB C=C[C@@]1(O)C[C@@H]2[C@H]3C4C5[C@H](CC[C@@H]5[C@H]5[C@@H]4[C@@H]2C[C@@]5(O)C=C)[C@@H]31 104291303 HHDXNQYASCNGKB-SBFLWWFISA-N 298.426 2.625 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 13136382 GCEQJUADWFNJDR-OUEQLNLTSA-N 288.263 2.867 30 40 CFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N(C)c1ccccc1 6401397 RDPKEZBYXGRSBR-CYBMUJFWSA-N 280.327 2.989 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(Cl)cc1F 15292046 AGJZBADGWMBUMJ-CQSZACIVSA-N 297.761 2.945 30 40 CFEB CN(Cc1ccncc1)c1c(F)cc(C#N)cc1F 90790194 BEDKVFGPYXMUDU-UHFFFAOYSA-N 259.259 2.868 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1 7974275 FOUSBDJWSVJXIO-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB C=CCn1c(SCc2ccon2)nc2ccccc2c1=O 69618087 BVWGJDQOKIYLNG-UHFFFAOYSA-N 299.355 2.863 30 40 CFEB N#Cc1ccc(F)cc1COc1cccc(F)c1C(N)=O 97115400 PLJDGSPIVINWME-UHFFFAOYSA-N 288.253 2.514 30 40 CFEB Cc1cc(Cl)cc(CN(CCC#N)CCC#N)c1O 31648724 XBCRDFWGUUFZKG-UHFFFAOYSA-N 277.755 2.983 30 40 CFEB CC(=O)C(=CNc1ccc(Br)cc1)C(C)=O 166810 ZOQPFFYKJXDANL-UHFFFAOYSA-N 282.137 2.923 30 40 CFEB biogenic C[C@@H]1O[C@H](C)[C@H](C(=O)NCC2(C#N)CCCCC2)[C@@H]1C 529517139 HNDFOJOCVRWPGU-XJFOESAGSA-N 278.396 2.636 30 40 CFEB CC(C)[C@@H](C#N)NC(=O)[C@@H]1CSc2ccccc21 83774593 PRECBHFHICUMTC-VXGBXAGGSA-N 260.362 2.540 30 40 CFEB N#Cc1c[nH]c(C(=O)NC[C@@H]2C[C@]23CCc2ccccc23)c1 87474982 OEGXPUCTXYRSIY-KBXCAEBGSA-N 291.354 2.520 30 40 CFEB COc1cccc(CC2CCN([C@@H](C)C#N)CC2)c1 97086246 TXXOWCSQCLASOI-ZDUSSCGKSA-N 258.365 2.862 30 40 CFEB CC(Cl)(Cl)C(=O)CC1=CC(C#N)(C#N)SC1 16322105 HDPJTGUNZLHDCQ-UHFFFAOYSA-N 275.160 2.599 30 40 CFEB C[C@H](CNC(=O)c1cccc(C#N)c1)N(C)c1ccccc1 40108002 HOEYGBLDMNYAHH-CQSZACIVSA-N 293.370 2.813 30 40 CFEB C[Si](C)(C)CCOCn1cnc2c(C#N)cncc21 1857793320 QYHCGKLJZSPEKU-UHFFFAOYSA-N 274.400 2.615 30 40 CFEB C[C@@H]1CN(CC#C[C@]2(C)CCCC(C)(C)O2)C[C@@H](C)O1 12417992 SMDJPRWUUWXCAB-INMHGKMJSA-N 279.424 2.837 30 40 CFEB COc1ccccc1OCC(=O)OCc1ccc(C#N)cc1 6027760 MFLDBNRCEBZVCY-UHFFFAOYSA-N 297.310 2.689 30 40 CFEB COc1ccc(O)c(/C=N/c2ccc3c(c2)OCO3)c1 3232488 UJKZXMGKODYOBD-LZYBPNLTSA-N 271.272 2.880 30 40 CFEB COc1ccc([C@@H]2CCN(c3ncccc3C#N)C2)cc1 58217740 PXPOHFUIHSQOCL-OAHLLOKOSA-N 279.343 2.956 30 40 CFEB Cc1ccccc1/N=C/c1c(CO)cnc(C)c1O 5110493 VKODSBAQTNSBPI-CAOOACKPSA-N 256.305 2.647 30 40 CFEB Cn1c(NC(=O)c2ccc(C#N)cc2)nc2ccccc21 27923768 QSLSAQHLZLDZBU-UHFFFAOYSA-N 276.299 2.697 30 40 CFEB Cc1nc(C)c(C(=O)Nc2ccc(C#N)cc2)s1 8131849 MQBVBGQYGNPATQ-UHFFFAOYSA-N 257.318 2.884 30 40 CFEB COc1ccc(CC(=O)N(CCC#N)[C@@H](C)C2CC2)cc1 69594580 UZXLJUSWSGJNKH-ZDUSSCGKSA-N 286.375 2.778 30 40 CFEB C=CCCC(=O)NC[C@@](C)(O)c1ccccc1Cl 97143388 CPRJOZGYGXYUKG-CQSZACIVSA-N 267.756 2.630 30 40 CFEB C=CCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38832468 LOXNUQRTBUBIPI-AWEZNQCLSA-N 272.392 2.834 30 40 CFEB C#CCOC(=O)c1c(OC)ccc2ccc(OC)cc12 216825553 GBJUSIRBJSXZJM-UHFFFAOYSA-N 270.284 2.647 30 40 CFEB O/C(CN1CCCCC1)=N\c1nnc(-c2ccco2)s1 33312393 VCDRYKOYZFTHTO-UHFFFAOYSA-N 292.364 2.872 30 40 CFEB Cc1oc(C#N)cc1C(=O)NCc1ccn(C2CCCC2)n1 575739347 IIEYKTDLLXYING-UHFFFAOYSA-N 298.346 2.701 30 40 CFEB CCN/C(S)=N/N=C\c1c(O)ccc2ccccc12 54219565 IDWSYZMSXOBZMW-SXGWCWSVSA-N 273.361 2.775 30 40 CFEB COc1ccccc1N/N=C(\C#N)c1nc2ccccc2[nH]1 16228465 FMYBNEYQDPVLIX-KGENOOAVSA-N 291.314 2.911 30 40 CFEB C=C[C@H]1CCCCN1C(=O)CC(CC)(CC)C(=O)O 634945357 PZBCUCRDRQZEDI-LBPRGKRZSA-N 267.369 2.835 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N\Nc1ccccc1[N+](=O)[O-] 4765503 ZBSVARHVRVWUFW-ZROIWOOFSA-N 286.247 2.949 30 40 CFEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1CCCC1 103504213 HPMUVXJFKMACJN-ZDUSSCGKSA-N 256.305 2.524 30 40 CFEB Cc1cc(C)cc(C(=O)[C@H](C#N)C(=O)N2CCCCC2)c1 103502446 ACBJUELDGGHIIB-HNNXBMFYSA-N 284.359 2.638 30 40 CFEB N#Cc1ccc(COc2cccc(-n3cncn3)c2)cc1 72296213 MVVZJRIBYBMTIC-UHFFFAOYSA-N 276.299 2.718 30 40 CFEB C=CCCO[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 58029918 KNUSJHURROCLKW-LBPRGKRZSA-N 261.321 2.809 30 40 CFEB COc1ccccc1Nc1nccc(N(C)C)c1C#N 36383305 KQEXRKQXZQQHNK-UHFFFAOYSA-N 268.320 2.771 30 40 CFEB CCCCNc1nc(SC)nc(Cl)c1C#N 2362119 SLEOBKYBFLDTAI-UHFFFAOYSA-N 256.762 2.936 30 40 CFEB C=CCc1cc(CN(CCC#N)CCC#N)c(O)c(OC)c1 12883425 UOTABUMOHINJCX-UHFFFAOYSA-N 299.374 2.759 30 40 CFEB CCNC(=S)N/N=C/c1cc(C)n(CC(C)C)c1C 3577198 RAGXURRCOSVTCR-LZYBPNLTSA-N 280.441 2.579 30 40 CFEB C=C(C)CSCc1cc(=O)n2c(C)csc2n1 13019309 FVZQRWBGLBELAH-UHFFFAOYSA-N 266.391 2.874 30 40 CFEB CO/N=C\Cc1ncc(C(F)(F)F)cc1Cl 5209512 WROAYNLEUCDNTQ-CQPUUCJISA-N 252.623 2.929 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(C(=O)O)cc1 5504632 NGLWDGMNSPZYCD-DYBVGFEPSA-N 260.337 2.982 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 6881220 TUAXHKCGJNJJMQ-UHFFFAOYSA-N 292.338 2.522 30 40 CFEB C=CCOC(=O)c1cc(Br)c2[nH]cnc2c1 73633964 BKQAXZXMQXWZEY-UHFFFAOYSA-N 281.109 2.668 30 40 CFEB C[C@H](/N=C(/O)c1cccc2c1CCC2)c1cn[nH]c1 328866926 OBHWCIGUGRMFNC-JTQLQIEISA-N 255.321 2.964 30 40 CFEB CN1CC[C@@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1 252549440 RFFAENLKMKGDHP-SJORKVTESA-N 278.359 2.811 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)c1cccc2[nH]ncc12 69559682 HSRYMKBNKYBVGV-UHFFFAOYSA-N 294.314 2.712 30 40 CFEB C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 50028132 RTHGAVCLGFCAGQ-UHFFFAOYSA-N 290.794 2.932 30 40 CFEB Cc1sc2ncn3c(SCC#N)nnc3c2c1C 5006670 UMLVZAKPDWTRRT-UHFFFAOYSA-N 275.362 2.572 30 40 CFEB CCNC(=S)N/N=C/c1ccc(C(F)(F)F)cc1 6296201 UUWJHNMULRIOEB-FRKPEAEDSA-N 275.299 2.523 30 40 CFEB O/N=C(\CCc1ccccc1)c1ccc(O)cc1O 8381111 BOXHWQLNKPBLCX-JQIJEIRASA-N 257.289 2.909 30 40 CFEB O=C1C(Cl)=C(NCC(F)(F)F)C(=O)c2ccccc21 100939999 XLBIWLVPTYBQJU-UHFFFAOYSA-N 289.640 2.668 30 40 CFEB CCOC(=O)/C(=N/Nc1cccc(Cl)c1C)C(C)=O 68780 RSKORAMMPICAJD-FOWTUZBSSA-N 282.727 2.568 30 40 CFEB CN(C)CCC[C@](C#N)(CCN(C)C)c1ccccc1 1593309 ZWSLGGLYOUGQKB-QGZVFWFLSA-N 273.424 2.741 30 40 CFEB COc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1C(=O)O 100287245 YCQQGNPKWGJLCL-RQZCQDPDSA-N 299.282 2.842 30 40 CFEB COCCCNc1oc(-c2cccs2)nc1C#N 2363552 NNNKHACWHNLBNU-UHFFFAOYSA-N 263.322 2.723 30 40 CFEB COc1ccc(Cl)c2c(=O)ccn(CCC#N)c12 64874745 QFPHHXQVZKNYHV-UHFFFAOYSA-N 262.696 2.577 30 40 CFEB C=C(Cl)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 14014679 WGMXYCVZRIHJRJ-CQSZACIVSA-N 278.739 2.596 30 40 CFEB N#CCCn1cc(Br)c(C(F)(F)F)n1 68591726 JBILOXGHOAFQSS-UHFFFAOYSA-N 268.036 2.578 30 40 CFEB CO[C@H]1C[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 32213523 YEYBRTMMOJKDHE-PMOUVXMZSA-N 296.388 2.514 30 40 CFEB CCOC1=C/C(=C/C=C2/C=CC=CN2C)C=CC1=O 334139392 VKOPSUULTURNDZ-LGBNFOQRSA-N 255.317 2.871 30 40 CFEB O/C(=N/Cc1nccn1-c1ccccc1)c1cncc(F)c1 330032587 PKMOLKCXAPNXGU-UHFFFAOYSA-N 296.305 2.911 30 40 CFEB CC(=O)/C(=C\Nc1ccc(Cl)cn1)C(=O)C(F)(F)F 100038642 BSWSLZFANXAGCE-VMPITWQZSA-N 292.644 2.751 30 40 CFEB N/C(Cc1nc(-c2ccc(Cl)cc2)cs1)=N\O 13464489 QDDAHCAXRXTOCF-UHFFFAOYSA-N 267.741 2.752 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1C#N 3445570 CGXZMRSFGUUFBH-CHWSQXEVSA-N 272.348 2.727 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(C)cc2C)C(=O)O1 102500371 KOVDDKZXZITNQO-MOEXGYKKSA-N 284.311 2.532 30 40 CFEB CC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1 103504224 JAFMREGVYDBWJA-GFCCVEGCSA-N 258.321 2.770 30 40 CFEB CC(C)(C)C1=CC(C(C)(C)C)=C([N+](=O)[O-])C(=O)C1=O 2848887 MXGLSZOKCUOVNO-UHFFFAOYSA-N 265.309 2.688 30 40 CFEB Cn1c(CO)nc2cc(/N=C/c3ccccc3O)ccc21 12523780 LDMFOQGDWAYULQ-RQZCQDPDSA-N 281.315 2.522 30 40 CFEB CC[C@H](C)N(C(=O)c1ccc(C#N)cn1)[C@@H](C)CC 97148333 UBHDSUSXVAGIDK-RYUDHWBXSA-N 259.353 2.992 30 40 CFEB Cc1ccc(-c2nnc(SCC#CCO)n2C2CC2)cc1 14608586 YUHSLHBSSHBNMZ-UHFFFAOYSA-N 299.399 2.676 30 40 CFEB CCn1nc(C)c(/C=C/C(=O)c2nccs2)c1C 72280877 BHNPTNXVLOSVPV-AATRIKPKSA-N 261.350 2.872 30 40 CFEB C=C(C)COCCNC(=O)Nc1ccccc1N(C)CC 89960899 YXUUVKDKWMJLNE-UHFFFAOYSA-N 291.395 2.857 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccco1 25100114 QQBKXDVDYVMQPH-BQYQJAHWSA-N 266.300 2.823 30 40 CFEB COc1ccc(/N=C/c2cc3c(cc2OC)OCO3)cn1 409069085 UUFJGMHJJGPSCM-FRKPEAEDSA-N 286.287 2.578 30 40 CFEB COc1ccc(Cn2nc(C(C)(C)C)c(C#N)c2N)cc1 225847595 NFSIXHOJZXEJBH-UHFFFAOYSA-N 284.363 2.691 30 40 CFEB C=C1CCCN(C(=O)c2ccc(Br)o2)C1 585148468 IGMZLQZKQASGGI-UHFFFAOYSA-N 270.126 2.834 30 40 CFEB COC(=O)C[C@@H](C)SCc1ccc(F)cc1C#N 78813626 OHEAWFJYKVZAIR-SECBINFHSA-N 267.325 2.882 30 40 CFEB N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1 21985777 MNSRKIHEJKWAMT-UHFFFAOYSA-N 254.680 2.728 30 40 CFEB CCOC(=O)[C@H](C#N)c1cc(F)cc(Br)c1 1776010880 VTMOOFNSXXBEQZ-SNVBAGLBSA-N 286.100 2.758 30 40 CFEB N#Cc1ccc(COC(=O)c2ccc(C#N)cc2F)cc1 15009479 YIHJCXALQFYUAC-UHFFFAOYSA-N 280.258 2.926 30 40 CFEB O=C(NC1CCCCC1)O/N=C/c1ccc2c(c1)OCO2 1572900 IRQJZBRTSODFRX-CXUHLZMHSA-N 290.319 2.808 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(C)=O)cc1 620316918 LGABFQCFSRKNPH-IYBDPMFKSA-N 284.359 2.968 30 40 CFEB CO[C@@H]1C=CC[C@H](c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N 340763 GFZHCBZHBYOVFD-ZIAGYGMSSA-N 283.287 2.687 30 40 CFEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cccc(C)c1O2 100489895 KFVXIXNQZMQPIK-OAHLLOKOSA-N 273.288 2.788 30 40 CFEB N#CC1(NC(=O)CN2CCCCCCC2)CCCCC1 42978998 NLYUBZFEMYGBJQ-UHFFFAOYSA-N 277.412 2.595 30 40 CFEB Cc1cccc2c1OCC/C(=C\c1ccnn1C)C2=O 45111301 POSJQZIVJQFAGT-ZRDIBKRKSA-N 268.316 2.777 30 40 CFEB N#Cc1cccnc1NCc1cnn(-c2ccccc2)c1 12903318 WTKFBMFYSFWXTJ-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB CC(C)N/C(=N\C#N)SCc1ccccc1F 13115906 MOYBYRXTCUFOLD-UHFFFAOYSA-N 251.330 2.894 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 7057244 VGMGSQJXESWUGU-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C#CCN1C(=O)S/C(=C/c2cccc(C)c2)C1=O 408917116 MYDUMHFIFIMUNB-FMIVXFBMSA-N 257.314 2.665 30 40 CFEB C[C@@H](C#N)NC(=O)CSc1cccc(Br)c1 96487629 BVSQZOXDMPTITG-QMMMGPOBSA-N 299.193 2.569 30 40 CFEB N#Cc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1 9913030 YTBZWTUSLJYJBE-UHFFFAOYSA-N 296.311 2.922 30 40 CFEB CCn1cccc1C=C1C(=O)c2ccccc2C1=O 408932504 CQLGJIFEFFPIEK-UHFFFAOYSA-N 251.285 2.971 30 40 CFEB COc1cccc2c1OC[C@H](NCc1ccc(C#N)cc1)C2 77412409 DMOKDKDWMCIRTO-MRXNPFEDSA-N 294.354 2.660 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(C#N)cc2)o1 216876146 XSXNUNSNHJHJGP-UHFFFAOYSA-N 251.241 2.608 30 40 CFEB CC(=O)Nc1ccc(CCNCc2cccc(C#N)c2)cc1 78411707 XNTBICZYXFOJIG-UHFFFAOYSA-N 293.370 2.849 30 40 CFEB CN1C(=O)/C(=N\NCc2ccccc2Cl)c2ccccc21 83881762 KTDVTVIECCPJMR-CYVLTUHYSA-N 299.761 2.810 30 40 CFEB C=C[C@@H](CC(=O)Nc1cnccn1)c1ccccc1 97146276 XQSSFZWDYGJCHG-LBPRGKRZSA-N 253.305 2.775 30 40 CFEB Cc1ccccc1-c1nnc(S[C@@H](C)C#N)n1C 5209867 QGGHPCRPULWOSU-JTQLQIEISA-N 258.350 2.795 30 40 CFEB O=C(O)c1ccccc1/C=N/NC(=S)Nc1ccccc1 13337954 WIYRMWYUCHYYHR-MHWRWJLKSA-N 299.355 2.705 30 40 CFEB C=CCc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O 13557632 FFCUHDGSPGAXFE-UHFFFAOYSA-N 265.316 2.727 30 40 CFEB C=C(C)CN1CCC(NC(=O)N(C)C[C@H](C)CC)CC1 78645636 VKWDGPUFYKNEAL-CQSZACIVSA-N 281.444 2.714 30 40 CFEB COc1ccc2c3c1OCC[C@@]3(C#N)[C@H](CC#N)CC2 1721257 NETUQGWBXTYMBR-BLLLJJGKSA-N 268.316 2.715 30 40 CFEB C=CCOc1ccc(CN(C)CC[C@@H]2CCOC2=O)cc1 79058601 FJELOBRVBBGWHQ-OAHLLOKOSA-N 289.375 2.636 30 40 CFEB CCCn1c(=O)n(C[C@@H](C#N)CCC#N)c2ccccc21 53728286 GOCNQBWHEOLFCT-CYBMUJFWSA-N 282.347 2.657 30 40 CFEB Nc1ccc([N+](=O)[O-])cc1/N=C\c1ccccc1[N+](=O)[O-] 4774661 TWARVKUEINMADQ-NVNXTCNLSA-N 286.247 2.836 30 40 CFEB O=C1C(Cl)=C(NCc2ccccn2)C(=O)c2ccccc21 100940620 ORDDUIQQGCMMCF-UHFFFAOYSA-N 298.729 2.701 30 40 CFEB CCOC(=O)C1(NCc2ccc(C#N)cc2F)CCCC1 95397246 NQGSEDJISSYTMW-UHFFFAOYSA-N 290.338 2.663 30 40 CFEB N#Cc1ccc(F)c(CN2CCC(c3cc[nH]n3)CC2)c1 58291733 IZQWLLFSZBZODL-UHFFFAOYSA-N 284.338 2.800 30 40 CFEB C=CCn1cc(/C=C2\SC(=N)NC2=O)c2ccccc21 4676027 LTBBRNUFAXUIHU-JYRVWZFOSA-N 283.356 2.966 30 40 CFEB Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)c(C)c1 9295601 FHDCBKUZXPZJEG-UHFFFAOYSA-N 252.317 2.943 30 40 CFEB Cc1cccc(NC[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)n1 97203971 JNBZZMLZJCKWKT-HOTGVXAUSA-N 297.406 2.567 30 40 CFEB C#CCN1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1 89261683 VVRAHBSQMAYJJZ-UHFFFAOYSA-N 288.435 2.514 30 40 CFEB C#CCn1cc(-c2ccc(Br)cc2)cn1 85391283 QZMABMJODIYURA-UHFFFAOYSA-N 261.122 2.946 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1cccc(C)c1 225861795 XJSKBUMIWPURJI-UHFFFAOYSA-N 269.348 2.892 30 40 CFEB COCCCN1CCC(Nc2ccc(F)cc2C#N)CC1 96429382 DXFVNVVWWBWHFF-UHFFFAOYSA-N 291.370 2.610 30 40 CFEB N#Cc1ccnc(Nc2nc([C@H]3CCCN3)cs2)c1 585292641 LVYPZLANQBRYML-SNVBAGLBSA-N 271.349 2.578 30 40 CFEB O=C(O)CC/C(CC(/C=C/c1ccccc1)=N/O)=N\O 13404208 CPYNZZOMAJOCKF-DHYIEDHLSA-N 276.292 2.615 30 40 CFEB O=C(OCCCF)OC(C(F)(F)F)C(F)(F)F 169795649 IMDWJSIFIBVUCP-UHFFFAOYSA-N 272.116 2.992 30 40 CFEB CN(C)/C=N/c1ccccc1I 3193408 UFGZQSGWCRGMPX-YRNVUSSQSA-N 274.105 2.513 30 40 CFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1cc(F)ccc1-2 22241204 BRVGTFVQSFOJKB-FYWRMAATSA-N 258.208 2.941 30 40 CFEB Cc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 142242 CJBBCVCTBBTXHL-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB NS(=O)(=O)c1ccc(/N=C/C=C/c2ccccc2)cc1 101001211 ABNOYMJFPBRWMR-FZHIPVGDSA-N 286.356 2.750 30 40 CFEB CCCn1c(NC(=O)CSCC#N)nc2ccccc21 32810040 NLQYHKXLABDKSP-UHFFFAOYSA-N 288.376 2.642 30 40 CFEB COc1ccc(C#Cc2cc(OC)c3c(c2)OCO3)cc1 78496403 QEMWTWVXBCLTHT-UHFFFAOYSA-N 282.295 2.832 30 40 CFEB Sc1nnc(-c2ccccc2)n1/N=C\c1ccccn1 4679955 RAQVRZAQWSXSBP-YBEGLDIGSA-N 281.344 2.511 30 40 CFEB Cn1/c(=N/N=C/c2ccccn2)sc2ccccc21 12488513 UXZPTGQYQYBVQO-CDEAFOTRSA-N 268.345 2.570 30 40 CFEB C=C(C)CNC(=S)Nc1cc(OC)ccc1OC 6238197 VCHMNGAPFCOVPH-UHFFFAOYSA-N 266.366 2.566 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)CNc1ccc(C#N)cc1 54530358 OACYRMNILFDXQV-STQMWFEESA-N 271.364 2.760 30 40 CFEB Cn1c(COc2ccccc2Cl)nnc1SCC#N 25894162 WANXZQFUSMPTKQ-UHFFFAOYSA-N 294.767 2.663 30 40 CFEB CNC(=O)c1cnc(/C=C/c2ccc(C#N)cc2)s1 58344347 YZSPMSMKHWFURX-VOTSOKGWSA-N 269.329 2.545 30 40 CFEB C[C@]12CN(C(=O)c3ccco3)[C@]3(C#N)C[C@H]1CC[C@@]23C 101023531 FWQIXDFKAFWAKS-MEYUZBJRSA-N 270.332 2.824 30 40 CFEB COc1ccc(NC(=O)COc2ccccc2C#N)cc1 3445429 AIJHKANIDKCNOS-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB Cc1ccc(/C=N/NC(=S)Nc2cccnc2)s1 12970602 IPFVIKROOKIMFG-RIYZIHGNSA-N 276.390 2.772 30 40 CFEB CC(=O)Oc1c(Cl)cc(Br)cc1C#N 20157657 CQMGRJNGIOJCPI-UHFFFAOYSA-N 274.501 2.899 30 40 CFEB N#Cc1c(NCCCO)nc(-c2ccco2)c2c1CCCC2 13471640 HSNPUHXGLVDAAL-UHFFFAOYSA-N 297.358 2.886 30 40 CFEB aggregator C=CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 4013913 CJPMJKZAEGKHRZ-UHFFFAOYSA-N 282.255 2.530 30 40 CFEB CCCN(C)c1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 69261483 CCQSHIUTQOWWHY-CYBMUJFWSA-N 273.380 2.764 30 40 CFEB CC(C)(C)[C@@H](CCO)NCc1ccc(F)c(C#N)c1 97376804 UTXJICCWROSIBF-CQSZACIVSA-N 264.344 2.584 30 40 CFEB CN(CC#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 95957766 WMNZKGIPRYDTHJ-UHFFFAOYSA-N 267.332 2.642 30 40 CFEB CCCC[C@H]1S/C(=N\N=C2CCCC2)NC1=O 27300672 IKRNADMYQKKFMF-SNVBAGLBSA-N 253.371 2.694 30 40 CFEB COc1ccc(C#Cc2cccc(N)c2)cc1OC 37547760 COWMNFLOCRMDHP-UHFFFAOYSA-N 253.301 2.686 30 40 CFEB COc1cccc(C#CCOC(=O)c2cnc(C)s2)c1 79014767 KOCXWVCSTPTVEZ-UHFFFAOYSA-N 287.340 2.669 30 40 CFEB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)Oc2cc(O)ccc21 5080575 FVOJXUXJPGCVMX-WDZFZDKYSA-N 273.200 2.510 30 40 CFEB NC(=S)NN=C1CCC(C2CCCCC2)CC1 5413303 SYWWZMUAOSGDQE-UHFFFAOYSA-N 253.415 2.946 30 40 CFEB Cn1c(N/N=C/c2ccccc2O)nc2ccccc21 7343302 MNQJMRQJGCRKIM-MHWRWJLKSA-N 266.304 2.725 30 40 CFEB CN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1 26328034 JVVINOKKMVGGEX-QGZVFWFLSA-N 266.344 2.724 30 40 CFEB Cc1ccccc1[C@@H]1CCCC[C@@H]1OS(C)(=O)=O 1706507 LHBMHKCBYLAOCR-KBPBESRZSA-N 268.378 2.997 30 40 CFEB CCOCc1c(C(=O)OCC#N)oc2ccccc12 3543465 MMEFOOABOGTKFK-UHFFFAOYSA-N 259.261 2.650 30 40 CFEB N#Cc1ccc(NC(=O)Cc2ccccc2F)cc1 6375139 GRYDUZKKMKQPBW-UHFFFAOYSA-N 254.264 2.879 30 40 CFEB N#C[C@@H](NC(=O)c1ccc[nH]1)c1cccc(Cl)c1 69844644 ZDFQOHHYOQAYFK-GFCCVEGCSA-N 259.696 2.663 30 40 CFEB Cc1cc(OCc2noc(C(C)C)n2)c(C#N)c(C)n1 95433600 CQERIXRKLNWLPD-UHFFFAOYSA-N 272.308 2.656 30 40 CFEB C[C@H](Oc1ccc(/C=N\c2ccccc2O)cc1)C(=O)O 408860408 UZCQFLAQNORNHI-MTUBTWAWSA-N 285.299 2.995 30 40 CFEB CNC(=O)c1cccc(CCNc2cccc(F)c2C#N)c1 77229314 KUSALRPAXMGISX-UHFFFAOYSA-N 297.333 2.712 30 40 CFEB N#CC1(NC(=O)CSc2ccccn2)CCCCC1 7699686 MPDGMJMCHKBSEF-UHFFFAOYSA-N 275.377 2.516 30 40 CFEB N#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68767460 CMACJVOSASJAQL-RKDXNWHRSA-N 269.131 2.737 30 40 CFEB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1(C#N)CCC1 60193699 ZTOHANZKRYLHHL-NSHDSACASA-N 292.766 2.978 30 40 CFEB N#CC1(NC(=O)c2ccc(F)cc2F)CCCCC1 40215342 WZTOPRYPDIGBKS-UHFFFAOYSA-N 264.275 2.921 30 40 CFEB OCC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F 141212223 ZLDJZTDLLJJHEH-UHFFFAOYSA-N 278.070 2.894 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccccc1 5772953 JBNCSOZKQRWDNT-UHFFFAOYSA-N 281.271 2.648 30 40 CFEB N#Cc1ccc(OCC(=O)c2ccccc2F)cc1 3325287 IRBSIETZNHIUPQ-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB CCc1cc(CC)cc(C(=O)/C=C(\O)C(=O)OC)c1 100965671 BYGGZZLMLGJMRZ-ZROIWOOFSA-N 262.305 2.609 30 40 CFEB N#Cc1cccc(CNCc2ccc(N3CCCC3)nc2)c1 30900179 VPWIJDVBQWXBML-UHFFFAOYSA-N 292.386 2.843 30 40 CFEB N#Cc1ccccc1CSc1nnnn1-c1ccccc1 172351 NUIQVLBGBBKHKQ-UHFFFAOYSA-N 293.355 2.826 30 40 CFEB COC(=O)c1c(C)[nH]c(/C=N/O)c1-c1ccccc1 492878 OCKDTVOTFNZPAN-OVCLIPMQSA-N 258.277 2.585 30 40 CFEB O=C1CCCC2=C1[C@H](c1cccs1)c1c(O)n[nH]c1N2 12347405 YKVPNSLETMIRBQ-NSHDSACASA-N 287.344 2.741 30 40 CFEB CC[C@H](C#N)NC(=O)/C=C/c1csc(Br)c1 95397817 ABNYAKQQKNBUNI-CDAZIORVSA-N 299.193 2.942 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2[C@H]3CC[C@H]2C3)cc1 104187128 WAWLMCAKBFCUTI-RYUDHWBXSA-N 266.362 2.746 30 40 CFEB CC[C@H](OC1CCCC1)C(=O)N(C)C1(C#N)CCC1 96005826 BWRPNAFEZKLXRT-ZDUSSCGKSA-N 264.369 2.629 30 40 CFEB O=C1COc2ccc(C(=O)/C=C/c3ccsc3)cc2N1 7333669 ZNBCETHFGUSDSY-HNQUOIGGSA-N 285.324 2.975 30 40 CFEB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCCC#N)CC1 69771729 UDWNSPHZKMYQFL-CYBMUJFWSA-N 295.427 2.915 30 40 CFEB Cc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)n(C)n1 71784845 RWHICULDEDISTG-BQYQJAHWSA-N 294.310 2.731 30 40 CFEB C=CCNC(=O)c1ccc(COc2ccc(F)cc2)o1 28234524 HBSOOPSPQJCQNB-UHFFFAOYSA-N 275.279 2.914 30 40 CFEB N#Cc1cccc(Cl)c1N1CCC[C@H](CCO)C1 98013779 LHITZJOZHBZAEB-LLVKDONJSA-N 264.756 2.810 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccc(C)s1 96041331 FFKFSEFOABPQQG-JYJNAYRXSA-N 293.432 2.991 30 40 CFEB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 97378284 QPYPWNQMZWPQOC-KSSFIOAISA-N 295.386 2.761 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)c1ccccc1OC 5629671 UZFLMZOXGVPAOZ-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB C=CCOc1ccc(C(=O)Nc2ncccc2O)cc1 23082401 KBFWSLHYFUTWIX-UHFFFAOYSA-N 270.288 2.604 30 40 CFEB S=C(NCc1ccccc1)NN=C1CCCCC1 6529548 KICGPLJSHAPFSN-UHFFFAOYSA-N 261.394 2.971 30 40 CFEB COc1ccccc1[C@@H](C#N)NC(=O)OC(C)(C)C 22115950 KVHINSVENBJHFK-LLVKDONJSA-N 262.309 2.785 30 40 CFEB C1C[C@H]2C[C@]34CCCC[C@]3(O4)[C@H](C1)C21OCCO1 2134716 ANWMUIFFJAIOQX-FQUUOJAGSA-N 250.338 2.631 30 40 CFEB biogenic CN1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 8091673 UDEFUXRHNPAZSK-UHFFFAOYSA-N 281.743 2.532 30 40 CFEB C=CCOc1ccccc1N/N=C(/Cl)C(=O)OCC 104208475 YOKPTZVBIVLOOO-FOWTUZBSSA-N 282.727 2.779 30 40 CFEB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(CC#N)C2 103708574 FSRFSLXWGWWDBH-MIMYLULJSA-N 258.159 2.605 30 40 CFEB CC(C)(C)n1nnnc1SCc1cccc(C#N)c1 27809859 DJNOHZMOVLRZRN-UHFFFAOYSA-N 273.365 2.592 30 40 CFEB COc1cc(C#N)ccc1OCc1ccc2c(c1)OCO2 5429903 QQASYKCTALGRBA-UHFFFAOYSA-N 283.283 2.875 30 40 CFEB CC[C@@H]1CCCCN1C(=O)CSc1ncccc1C#N 9366277 DIDWXXIZTBXLBV-CYBMUJFWSA-N 289.404 2.836 30 40 CFEB C[C@H]1C[C@H](C)CN(C(=O)CSc2ncccc2C#N)C1 7051357 SMEJWOFUUSDNJI-RYUDHWBXSA-N 289.404 2.550 30 40 CFEB N#Cc1ccc(CN2CCC[C@@H]2Cn2cccn2)c(F)c1 71875581 UIQNYDNKBXVDNX-OAHLLOKOSA-N 284.338 2.558 30 40 CFEB N#C[C@H](C(=O)c1cccc(C2OCCO2)c1)c1ccccn1 97033161 PDISPWUHKQFJIZ-AWEZNQCLSA-N 294.310 2.617 30 40 CFEB c1csc(CCN/C(=N\C2CC2)NC2CCCC2)c1 72271943 LITMYAUKYBPTDI-UHFFFAOYSA-N 277.437 2.931 30 40 CFEB O=C1CCCCC/C1=C\Nc1ccc(C(=O)O)c(O)c1 33736345 OMEKIVQNKQJYPJ-MDZDMXLPSA-N 275.304 2.919 30 40 CFEB Cc1occc1C(=O)N(C)Cc1cccc(C#N)c1 45244453 XILJLTYPHCEXJW-UHFFFAOYSA-N 254.289 2.732 30 40 CFEB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccc2c(c1)CCO2 95096068 XSAUZBCJORFOSV-ZYHUDNBSSA-N 274.238 2.640 30 40 CFEB Cc1ccc(-c2nnc(S)n2N=Cc2ccccn2)cc1 245241820 QFCLTPNSVUFEOL-UHFFFAOYSA-N 295.371 2.819 30 40 CFEB CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F 1083809151 NZTLAIGWRSYRPM-UHFFFAOYSA-N 256.117 2.773 30 40 CFEB CCCCNC(=O)[C@H](C#N)C(=O)c1coc2ccccc12 101112076 JUVNYGSLZOFWAX-GFCCVEGCSA-N 284.315 2.672 30 40 CFEB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 5108651 NPRQKIJLOYLVHD-LBPRGKRZSA-N 296.326 2.973 30 40 CFEB CN(C)C[C@H]1CCCC/C1=N\OC(=O)c1ccccc1 18084990 GWLJOTFLCRATTR-DHSYKJLNSA-N 274.364 2.951 30 40 CFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(Cl)c(F)c1 154631438 HLDNXRGEAFVZIE-UHFFFAOYSA-N 298.745 2.842 30 40 CFEB CCC(CC)(CC(=O)Nc1ccc(C#N)cc1)C(=O)O 11261346 JVPVDOLWWXSZIU-UHFFFAOYSA-N 274.320 2.778 30 40 CFEB COc1ccc(C(=O)/C=C/c2cccnc2)cc1OC 5550237 QHOMUNQVGOCTOP-FNORWQNLSA-N 269.300 2.995 30 40 CFEB Cc1ccsc1/C=N/c1cccc2c(=O)[nH]nc(O)c12 62625 SATKPOFRDMROSH-VIZOYTHASA-N 285.328 2.749 30 40 CFEB C=CCNC(=S)N[C@H](C)c1ccc2c(c1)OCCCO2 41747992 BUNGEBNFZCIOHZ-LLVKDONJSA-N 292.404 2.559 30 40 CFEB CCOC(=O)C[n+]1c(C)cc(-c2ccccc2)cc1C 1598315 QOKYIZVNKIKCJY-UHFFFAOYSA-N 270.352 2.821 30 40 CFEB Cc1cccc(CN2CCN(c3ccc(C#N)cn3)CC2)c1 24923546 AGKUYIIWZVHDMJ-UHFFFAOYSA-N 292.386 2.584 30 40 CFEB C/C(O)=C\C(=O)c1c(C)nn(-c2ccccc2)c1O 100095884 HPBGURCPYAJRII-CMDGGOBGSA-N 258.277 2.531 30 40 CFEB CCNC(=S)N/N=C/c1cc(Cl)c(O)c(Cl)c1 58822351 HIPJYFOLUGCNKZ-LHHJGKSTSA-N 292.191 2.517 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/CC[C@H]3C[C@H]23)c([N+](=O)[O-])c1 100170859 AHRJJPFGSXCRPK-MKFCGFABSA-N 276.252 2.701 30 40 CFEB CC1(C)[C@@H]2C[C@@H]1C1=CC[C@H]3C(=O)C=CC(=O)[C@H]3[C@H]1C2 100642273 LMMRHMDTCZGYNN-PBNMUELISA-N 256.345 2.939 30 40 CFEB COc1ccc(CCNc2ncccc2C#N)cc1OC 19426094 SQJOFDOREZPAQN-UHFFFAOYSA-N 283.331 2.625 30 40 CFEB N#Cc1c(O)nc(S)nc1-c1ccccc1Cl 5238824 RIFZSUFFPYGWRJ-UHFFFAOYSA-N 263.709 2.663 30 40 CFEB COc1cccc(OC)c1C(=O)Nc1ccc(C#N)cc1 5671140 QIPMAMLUXOROOG-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCCC#N)C1=O 69150460 VGPGIAMRZFVPCG-INIZCTEOSA-N 297.314 2.504 30 40 CFEB CCC[C@@H](C#N)NC(=O)/C=C/c1c(F)cccc1F 69454232 JQQRKBSIQSNRNG-JARNTUPDSA-N 264.275 2.786 30 40 CFEB C[C@H](/C(=N/O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96524500 HFNPJWRFHXECQW-GRFIGQMDSA-N 296.175 2.605 30 40 CFEB C=CCO[C@@H]1CO[C@]2(CCCN(Cc3ccco3)C2)C1 96048181 UQMAUUUBYRDXCQ-JKSUJKDBSA-N 277.364 2.606 30 40 CFEB CC(C)c1nc(=NCc2cc(F)c(C#N)c(F)c2)s[nH]1 585141838 GOSBHHMBVOHIED-UHFFFAOYSA-N 294.330 2.845 30 40 CFEB Cc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)o1 13111066 UFDMJXBQTXJSAM-AQTBWJFISA-N 283.375 2.740 30 40 CFEB C=CCO/N=C(/CCC)C1C(=O)CC(C)(C)CC1=O 100668135 ANNKFUXBUWSQAB-WJDWOHSUSA-N 265.353 2.920 30 40 CFEB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(C#N)c1 30265776 CTMXLMYBOYWCIW-GFCCVEGCSA-N 265.316 2.577 30 40 CFEB N#Cc1c(N)nc2c(c1-c1ccc([N+](=O)[O-])cc1)CCCC2 20470129 HNUZIBNWMACVHO-UHFFFAOYSA-N 294.314 2.989 30 40 CFEB O=C1C(O)=C(c2ccccc2)C(=O)[C@H]1c1ccccc1 1676021 WMLXOCOPLNBTDN-CYBMUJFWSA-N 264.280 2.891 30 40 CFEB O=C1Oc2ccccc2N/C1=C/C(=O)c1ccc(F)cc1 100411735 LAMDGRKUMZMVEQ-UKTHLTGXSA-N 283.258 2.923 30 40 CFEB CCOC(=O)c1c(C)oc2c1C(=O)/C(=N\O)c1ccccc1-2 100501073 WSJJWPDMAHUZIS-LGMDPLHJSA-N 299.282 2.806 30 40 CFEB N#Cc1ccc(N[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 63001362 WAXFWOXQDJKNSY-AWEZNQCLSA-N 283.287 2.612 30 40 CFEB CCOc1ccc(/C=N/Nc2ccncc2)cc1O 6393739 CJOJUVPOPCTVBK-MHWRWJLKSA-N 257.293 2.632 30 40 CFEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1C 65553586 HSFWYUFEJDMKHD-MRXNPFEDSA-N 273.380 2.770 30 40 CFEB C=CCn1c(CC(=O)Nc2ccccc2C)n[nH]c1=S 4739113 YKEMNFWFHYQVBO-UHFFFAOYSA-N 288.376 2.616 30 40 CFEB C#CCCCCCOC(=O)c1ccc(C(=O)OC)s1 95997376 DDWCSSIZBWOFKX-UHFFFAOYSA-N 280.345 2.885 30 40 CFEB COCc1ccc([S@@](=O)CCC(C)(C)C#N)cc1 123502578 XZLZLYZFJGNTFX-GOSISDBHSA-N 265.378 2.880 30 40 CFEB Cc1cc(C)n(/N=C\c2ccc3c(c2)CCC3)c(=O)c1C#N 31719671 MFAGYBIOWGBCFV-JAIQZWGSSA-N 291.354 2.708 30 40 CFEB CSc1nc(N)c(C#N)c(Cc2ccc(C)cc2)n1 223671686 DXUPJOZLHHLCRQ-UHFFFAOYSA-N 270.361 2.552 30 40 CFEB C=C[C@@H](C)CCOC(=O)c1snnc1-c1cccnc1 223850999 GIQNFJHSYOKNPU-SNVBAGLBSA-N 289.360 2.969 30 40 CFEB N#CCCN(Cc1ccccn1)Cc1ccccc1C#N 81158940 KEAHZRVWYLHKJR-UHFFFAOYSA-N 276.343 2.869 30 40 CFEB CCOC(=O)C1=C(N=C(O)c2ccccc2)OC(C)(C)C1 329788110 OAWNVYWTCVCHJZ-UHFFFAOYSA-N 289.331 2.965 30 40 CFEB N#CCCN(C[C@H]1CCOC1)C(=O)OCc1ccccc1 96404885 WSRYGSJAGZIDFM-OAHLLOKOSA-N 288.347 2.575 30 40 CFEB C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccnc1)C2 96050013 AGBNDJRYSVNUAR-SFHVURJKSA-N 299.418 2.615 30 40 CFEB C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccncc1F 252480649 CBSZOTLWEZLOLM-NSHDSACASA-N 298.321 2.653 30 40 CFEB CO[C@@H](CNC(=O)c1cccc(C#N)c1)c1cccc(F)c1 96387965 QBPDIZKDAWAEPM-INIZCTEOSA-N 298.317 2.815 30 40 CFEB COc1cccc(N/N=C2/C=Cc3cccnc3C2=O)c1 105968879 MHPVCJYXXJOPIV-RGEXLXHISA-N 279.299 2.768 30 40 CFEB N#Cc1ccc(F)cc1COc1cccc2c1NC(=O)CO2 91599265 WAFRZALNCQVCHH-UHFFFAOYSA-N 298.273 2.607 30 40 CFEB N#C/C(=N\Nc1cccc(O)c1)c1nc2ccccc2[nH]1 4262758 NZCWEMKHNIAXSV-XSFVSMFZSA-N 277.287 2.608 30 40 CFEB COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 608555 FUEVOZVWRDBZFY-UHFFFAOYSA-N 253.257 2.786 30 40 CFEB N#Cc1ncn(Cc2cccc(C(F)(F)F)c2)c1C#N 39347144 MSSYHCXUGVOREX-UHFFFAOYSA-N 276.221 2.694 30 40 CFEB CC(C)(C)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 2086939620 IMGHDCUUHAXCBG-UHFFFAOYSA-N 285.391 2.689 30 40 CFEB N#Cc1ccsc1NC(=O)c1coc2ccccc2c1=O 2692885 MWTXKKWGQQKWHU-UHFFFAOYSA-N 296.307 2.978 30 40 CFEB C=CCN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 53316437 QVDNSYLSDTZTBG-UHFFFAOYSA-N 283.375 2.854 30 40 CFEB CC(C)(O)C#Cc1c(F)c(F)c(F)c(F)c1F 2779841 NZJFDBGAZHTGNG-UHFFFAOYSA-N 250.166 2.505 30 40 CFEB N#CCCN(CCC1CCCC1)C[C@@H]1CCOC1 78876493 NUXNFCYCIXEEJM-HNNXBMFYSA-N 250.386 2.819 30 40 CFEB COc1ccc(CSc2n[nH]c(/N=C(/C)O)n2)cc1 59475076 GXVDZADCVRYCIW-UHFFFAOYSA-N 278.337 2.714 30 40 CFEB CCC(CC)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)cc1 102810504 SOTMOBPZNMMGPJ-ZDUSSCGKSA-N 276.311 2.909 30 40 CFEB CC1(C)[C@@H]2C[C@H]3C(=CC[C@H]4C(=O)C=CC(=O)[C@H]43)[C@@H]1C2 100642269 LMMRHMDTCZGYNN-ZUZHRZSZSA-N 256.345 2.939 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1nc2ccccc2[nH]1 100970513 XHXFHNLCWNEHEV-CXUHLZMHSA-N 276.303 2.885 30 40 CFEB Cc1nnc(S)n1/N=C/c1cc(C)n(C2CC2)c1C 21273940 LGNZDPKHCUUGBU-VGOFMYFVSA-N 275.381 2.511 30 40 CFEB CCOC(=O)[C@@H](C#N)c1ccc(Br)cc1 2530103 ZBOCISWKAHOEQX-JTQLQIEISA-N 268.110 2.619 30 40 CFEB CCc1nc([C@H](C#N)C(=O)C[C@H]2CCCO2)sc1C 48763841 SUDDPTCZKINPDC-GHMZBOCLSA-N 278.377 2.759 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccncc1 409030942 IONYVRAJGGKTHL-DVZOWYKESA-N 289.154 2.796 30 40 CFEB CC(C)(C#N)C(=O)Nc1cc(-c2ccccc2F)no1 71900753 OFFHLTSDEJXHDS-UHFFFAOYSA-N 273.267 2.969 30 40 CFEB N#CCC[C@H](C#N)CSc1ncn(-c2ccccc2)n1 69484296 QKYWQLVRKZBKKJ-GFCCVEGCSA-N 283.360 2.803 30 40 CFEB CCN1Cc2cccc(NC(=O)c3ccc(C#N)cn3)c2C1 97046488 SIHDXFBBVSKQDX-UHFFFAOYSA-N 292.342 2.541 30 40 CFEB C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2ccccc12 131863477 IKDZZBHVCNJDJN-GFCCVEGCSA-N 295.342 2.539 30 40 CFEB C=CCN(CC=C)C(=O)c1cn(C)nc1-c1ccccc1 193124530 WOIPGLXUPSNLPG-UHFFFAOYSA-N 281.359 2.901 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(C)o1)C2 96071439 ITDIMSIBTLPWHH-QGZVFWFLSA-N 288.391 2.845 30 40 CFEB CCc1nnc(S)n1/N=C/C=C/c1ccccc1 5962050 UVKSKFLYSSHDLO-UYQSWCAZSA-N 258.350 2.677 30 40 CFEB CCCC/N=C(/N)SCCS/C(N)=N/CCCC 17289770 YIRMUFSXSHKNFI-UHFFFAOYSA-N 290.502 2.682 30 40 CFEB COc1ccc(NC(=O)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 4071178 ZSVRRAVGSFTPSB-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCc2ccccc21 40049990 LZWYZUZFAWTSCC-QGZVFWFLSA-N 284.403 2.806 30 40 CFEB N#Cc1cccc(C(=O)NCCSC(F)(F)F)c1 40539578 HEQOXPDQDZUNGP-UHFFFAOYSA-N 274.267 2.541 30 40 CFEB N#CC12Oc3ccccc3C1C1(C#N)Oc3ccccc3C21 339689 RTHGVXDSYGAHFW-UHFFFAOYSA-N 286.290 2.877 30 40 CFEB CC(C)[C@@H](C)SCC(=O)N[C@](C)(C#N)C1CC1 79082509 BZZQSTRTGJQOKC-ZWNOBZJWSA-N 254.399 2.573 30 40 CFEB C[N+]1(C)CCC2=CC(=O)C[C@H](c3ccccc3)[C@H]2C1 1582126 UYXUMLHNMXEDTP-SJORKVTESA-N 256.369 2.766 30 40 CFEB C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@H](C)CCC[C@@]1(C)O[C@H]21 4104809 IPZPPUJQQJARAE-RGOPTCMMSA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro N#C[C@@H](C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cn1 12480543 YUXDMNOQCYGFAL-LLVKDONJSA-N 297.280 2.720 30 40 CFEB in-vitro C=C(Br)CNC(=O)Nc1cc(F)ccc1F 49299747 AYMDQKFWXCUYEB-UHFFFAOYSA-N 291.095 2.995 30 40 CFEB C=C(C)CNC(=S)N/N=C(\C)c1ccccc1F 5416360 DCDMWCUBIWYQIB-MHWRWJLKSA-N 265.357 2.590 30 40 CFEB CNc1ccccc(C(=O)/C=C/c2ccccc2OC)c1=O 7089648 VCRCMBDSDSYJIU-VAWYXSNFSA-N 295.338 2.993 30 40 CFEB COC(=O)c1ccc(OC)cc1OCc1ccccc1C#N 15554971 HMIQSWHOKWWQQF-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB COc1ccc(C)nc1NC(=O)NCc1cccc(C#N)c1 97378724 RMVTUIKBXSZRPN-UHFFFAOYSA-N 296.330 2.592 30 40 CFEB C=CCOC(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1 216810030 XZBOQRRNBUJMRW-UHFFFAOYSA-N 272.260 2.728 30 40 CFEB C[C@@H](C[S@](C)=O)Nc1cc(C#N)ccc1C(F)(F)F 129616147 HJOFLQMIVBKMMS-WPCRTTGESA-N 290.310 2.756 30 40 CFEB C#CC[C@H](OC(=O)c1cccc2cn[nH]c12)c1ccccn1 73294740 PBEHTXADWCRRDS-HNNXBMFYSA-N 291.310 2.879 30 40 CFEB C=CCN(C)C(=O)NCCC1Cc2ccccc2C1 225417892 KHRRWKQKCKJAIQ-UHFFFAOYSA-N 258.365 2.619 30 40 CFEB Cc1ccc(Cc2nn(C(C)C)c(N)c2C#N)cc1 225831377 PYBOAUVUTWBRPK-UHFFFAOYSA-N 254.337 2.817 30 40 CFEB N#Cc1ccc(N2CCCC2=O)c(C(F)(F)F)c1 146075752 ATQGMMWZXSSNDU-UHFFFAOYSA-N 254.211 2.704 30 40 CFEB Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(Cl)c1C#N 33376775 RFUFJPWPYRARHR-NXEZZACHSA-N 265.744 2.529 30 40 CFEB N#CC1(NC(=O)CNc2cc(F)cc(F)c2)CCCCC1 10220017 HXQPOLMVTNLKQY-UHFFFAOYSA-N 293.317 2.719 30 40 CFEB N#Cc1ccc(CNC[C@@H](O)c2ccccc2F)cc1 37749056 WCHUSCXHMPJDQR-MRXNPFEDSA-N 270.307 2.521 30 40 CFEB C[C@@H]1CC=C/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100356345 MGQCINAZHWJLBS-ZGFGWORNSA-N 276.252 2.867 30 40 CFEB O=C(OCc1ccccc1)N1CC[C@@H](CCS)C1 95078984 AUMZCBBCNIKLJN-LBPRGKRZSA-N 265.378 2.965 30 40 CFEB C=C(Br)CNC(=O)Nc1ccc(F)cc1F 49284065 UWSNTWLFHGXWQY-UHFFFAOYSA-N 291.095 2.995 30 40 CFEB FC(F)(F)c1ccc(C#CCSc2ncn[nH]2)cc1 89780986 ICGHSJOGIZGAPS-UHFFFAOYSA-N 283.278 2.967 30 40 CFEB CCN(CCC#N)C(=O)Nc1ccc2c(c1)CCCO2 89969180 KHUMIKQJQSPFHC-UHFFFAOYSA-N 273.336 2.779 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1 36081502 INTFNAOTAHTHOX-OVCLIPMQSA-N 297.274 2.623 30 40 CFEB CCN/C(S)=N/N=C/c1ccc(OC(C)C)c(OC)c1 33711976 FLDSFUSVGJESEI-CXUHLZMHSA-N 295.408 2.712 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 45071406 KJXWUOSFKJBGMD-MBNYWOFBSA-N 264.346 2.665 30 40 CFEB C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 96039597 LJDVDWAGLWQZMJ-DLBZAZTESA-N 291.391 2.853 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccc(C)o1 248063483 DPUXKWUMMYIOCL-UAGQMJEPSA-N 291.391 2.770 30 40 CFEB CC(C)CO[C@@H]1[C@H]2CC[C@H]1N(c1ccc(C#N)cn1)C2 248139761 BMJDCKJTKYPCRW-SQWLQELKSA-N 271.364 2.593 30 40 CFEB CCOc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 116585 GEYYRFLRELHAJK-YBFXNURJSA-N 295.342 2.618 30 40 CFEB C#C[C@@]1(O)C[C@@H]2c3ccc(OC)cc3CC[C@@]2(C)C1 5410493 RGMQGPYAYKKFCZ-IXDOHACOSA-N 256.345 2.889 30 40 CFEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N(C)Cc1nonc1C)C2 19559068 LZAKFPMRKUVBHJ-LRDDRELGSA-N 289.379 2.719 30 40 CFEB C[C@H](Oc1ccccc1C#N)C(=O)NC1CCCCC1 8488542 HAWDVFIQCNQUCH-LBPRGKRZSA-N 272.348 2.774 30 40 CFEB N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)nc1 51953155 BQRPNYQLPAJETI-UHFFFAOYSA-N 275.670 2.998 30 40 CFEB O=S(=O)(OCCNc1ccccc1)c1ccccc1 1709772 JZEQKWWVRYYKGO-UHFFFAOYSA-N 277.345 2.504 30 40 CFEB C/C(=N\Nc1nnc(C(C)(C)C)c(=O)[nH]1)c1ccc(C)cc1 4136562 CYZWVQFTHPYHTH-WOJGMQOQSA-N 299.378 2.607 30 40 CFEB CC(C)n1c(S[C@H](C)C#N)nc2ccccc2c1=O 4948382 DMPQQVBHBWJVKX-SNVBAGLBSA-N 273.361 2.982 30 40 CFEB CN(Cc1cccc(C#N)c1)Cc1cn2ccccc2n1 57447933 ZAMMCWPJNRAOLP-UHFFFAOYSA-N 276.343 2.838 30 40 CFEB C[C@H](NCc1cn2ccccc2c1C#N)[C@H](C)n1cccn1 72269927 DAVLGCZURGFUOA-KBPBESRZSA-N 293.374 2.747 30 40 CFEB CN(CCCSCC#N)Cc1nc2ccccc2n1C 83242933 NDUOXMJVCQOTNT-UHFFFAOYSA-N 288.420 2.652 30 40 CFEB C[C@@H](CCCO)Nc1ccc(Br)cc1C#N 96008508 NMMRABKFZJJXLN-VIFPVBQESA-N 283.169 2.894 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1scnc1C 96291446 GLSGVGPUOSLQTA-OQLLNIDSSA-N 275.333 2.986 30 40 CFEB N#Cc1ccc(NCCNC(=O)c2ccccc2)c(F)c1 69431594 VYWBQVDWWZXVIE-UHFFFAOYSA-N 283.306 2.539 30 40 CFEB COc1cccc([C@H](CO)Nc2ccc(C#N)cc2F)c1 96429606 NAADCGBJVVDDRO-INIZCTEOSA-N 286.306 2.851 30 40 CFEB CCOC(=O)/N=C(\NC(=O)OCC)c1ccccc1Cl 5717075 FFQHIHHOYISXEZ-UHFFFAOYSA-N 298.726 2.989 30 40 CFEB O=[N+]([O-])c1ccccc1OC/C(=N\O)c1ccccc1 15987499 MKIQSBCXQDUIIS-NTCAYCPXSA-N 272.260 2.852 30 40 CFEB O=C(O)c1ccc(/C=N\N=C/c2ccccc2O)cc1 16919766 ZAILMIHKPZCHRQ-CQRYCMKKSA-N 268.272 2.543 30 40 CFEB C/C(=N\Nc1cc(-n2cc(C)cn2)ncn1)c1ccccc1 4595713 QFHFFLCVTHXAPO-DEDYPNTBSA-N 292.346 2.807 30 40 CFEB C#CCN1CCC(C(=O)Nc2cccc(C)c2C)CC1 50024131 HFUKEFZDIBETSI-UHFFFAOYSA-N 270.376 2.587 30 40 CFEB N#Cc1ccccc1NC(=O)CCN1CCc2ccccc21 20261082 QTFHQMUUCXLDID-UHFFFAOYSA-N 291.354 2.950 30 40 CFEB CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O 1610066 GCFLTOLIWWOBOI-UHFFFAOYSA-N 298.338 2.809 30 40 CFEB C=C/C=C\C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8580358 BJHIKAWRMVMKTI-DQXWCLFKSA-N 262.225 2.643 30 40 CFEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2 101566510 VWPNXOAXLXWARP-CKEIUWERSA-N 274.384 2.732 30 40 CFEB O=C(/C(Cl)=C/Nc1nccs1)C(F)(F)F 58161744 SXQGRHHPHMSTAR-ARJAWSKDSA-N 256.636 2.767 30 40 CFEB C=C(Br)CNC(=O)Nc1ccccc1OC 49284062 WGTHXKQWCLBMHC-UHFFFAOYSA-N 285.141 2.725 30 40 CFEB Cc1cnn(C[C@H]2CCCN2Cc2ccccc2C#N)c1 70040504 ZCXLYIDNLYSRAI-QGZVFWFLSA-N 280.375 2.728 30 40 CFEB CO/N=C(/CN1CCCC1)c1ccc(Cl)cc1 20388012 VPABJFHFZZQDBU-SQFISAMPSA-N 252.745 2.786 30 40 CFEB C[C@@H](Oc1ccc(/C=N\c2ccccc2O)cc1)C(=O)O 408860409 UZCQFLAQNORNHI-VBYYMIJXSA-N 285.299 2.995 30 40 CFEB COc1ccc(CNc2ccc(C#N)cc2N)c(OC)c1 40435123 YRYPIFDYJXOLSM-UHFFFAOYSA-N 283.331 2.770 30 40 CFEB CCCCCCCCCCCC(=O)OC[C@@H](N)C(=O)O 97971854 IGZVVOAVTPZMEP-CYBMUJFWSA-N 287.400 2.862 30 40 CFEB biogenic O=[N+]([O-])c1ccc(/C=N/C[C@H]2COc3ccccc3O2)cc1 438763 KLUPSISAXJSDBO-VEJKBTLKSA-N 298.298 2.854 30 40 CFEB C=CCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13708813 HCQGZGJLTHUBHP-GFCCVEGCSA-N 255.317 2.909 30 40 CFEB CCn1c(C(=O)N[C@]2(C#N)CCSC2)cc2ccccc21 58403182 ZSRXYBVJEDCDHP-INIZCTEOSA-N 299.399 2.790 30 40 CFEB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1 9155139 AWFPYVGRPQJMOQ-GFCCVEGCSA-N 281.315 2.668 30 40 CFEB CC[C@@H](C)Oc1ccc(/C=N/n2cnnc2)cc1Cl 409012136 JGGGKTIGQNJVKJ-LZUJDIRXSA-N 278.743 2.991 30 40 CFEB Cc1nn(C)cc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 4729532 QRBFWDRRGWEFKF-VOTSOKGWSA-N 271.276 2.533 30 40 CFEB COc1cc2c(=O)ccn(CCC#N)c2cc1Cl 64874644 BKFVWKQGQJGIMP-UHFFFAOYSA-N 262.696 2.577 30 40 CFEB Cc1ccc(/C=[N+](/[O-])[C@H]2SC(=S)N(C)C2(C)C)cc1 8670257 VNGQPOZLNHEJRS-RGZVIEDOSA-N 294.445 2.992 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)Nc2ccccc2)n1 89705278 ZYPJGENOBBHELT-NSHDSACASA-N 257.318 2.697 30 40 CFEB Cc1cc(/C=N/O)cnc1N1CCc2ccccc21 72222889 SHZGHTQKBMRYLH-LICLKQGHSA-N 253.305 2.892 30 40 CFEB C=CCn1cc(C(=O)OCC)c(=O)c2cc(F)ccc21 199736509 XXIXVQCMMZPKMF-UHFFFAOYSA-N 275.279 2.503 30 40 CFEB CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 78257145 KYVVWBJYOAKLBC-UHFFFAOYSA-N 250.301 2.838 30 40 CFEB N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 78984879 UUWVEYNXLAKNEE-GFCCVEGCSA-N 285.234 2.619 30 40 CFEB O=C1C(O)=C(c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 13110466 NKTVDNQYNHDVFI-UHFFFAOYSA-N 295.250 2.943 30 40 CFEB CN(C)/C=N/c1ncc(C(F)(F)F)cc1Cl 100250071 PQXCMRVZZLCVQD-PJQLUOCWSA-N 251.639 2.975 30 40 CFEB CN1CCC/C1=N/C(=N/c1ccccc1)N1CCCC1 103285602 UFJFKQGRZLHOBO-IZEYCACRSA-N 270.380 2.894 30 40 CFEB COc1cc(CNC(=O)Nc2cc(C#N)ccc2C)ccn1 58453055 KYGZJQJARMRECY-UHFFFAOYSA-N 296.330 2.592 30 40 CFEB Cc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1C 4599245 SPDAXOQCKQASRY-QGMBQPNBSA-N 270.332 2.955 30 40 CFEB CN(C)C(=O)[C@H](Oc1cccc(C#N)c1)c1ccccc1 6846893 ZUPATTWDPRPUPI-MRXNPFEDSA-N 280.327 2.767 30 40 CFEB Cn1cccc1-c1c(C#N)c(N)nc2c1CCCCC2 19898423 RPFUTKWLPQHFMR-UHFFFAOYSA-N 266.348 2.810 30 40 CFEB CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 95994032 BEHOMFIYSOLWIF-UKRRQHHQSA-N 289.379 2.600 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 409067733 RAHDJQIZFWRTDK-XYOKQWHBSA-N 291.328 2.623 30 40 CFEB N#Cc1cc(C(F)(F)F)c(Br)cn1 307453085 ZCNNAZSQGFCXEW-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB CCOC(=O)/C(=N/Nc1ccccc1Cl)N(CC)CC 33690142 OMRRCHJJOMAELS-LGMDPLHJSA-N 297.786 2.970 30 40 CFEB CC[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 72208071 UBMWZRIKUVTGMN-SMDDNHRTSA-N 255.358 2.813 30 40 CFEB C[C@@H]1CCCCN1c1ccc(-n2cnnc2)cc1C#N 226279905 IDHSRWKYFWPQRF-GFCCVEGCSA-N 267.336 2.518 30 40 CFEB Cc1ccn(Cc2csc(-c3ccoc3)n2)c(=O)c1C#N 97377546 HJDKZGIJUWVOAS-UHFFFAOYSA-N 297.339 2.793 30 40 CFEB C#CCNC(=O)[C@H](C)S[C@@H](C)c1ccccc1F 56261404 BYGUTSWLUYHPGV-QWRGUYRKSA-N 265.353 2.758 30 40 CFEB N#CCC[C@@H](C#N)Cn1ccc2sccc2c1=O 96001591 QVYMPLFVYVKFIY-JTQLQIEISA-N 257.318 2.507 30 40 CFEB CN(/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(Cl)nn1 4276790 OCWYBNSTFRIKPH-WUXMJOGZSA-N 297.727 2.570 30 40 CFEB CSc1c(C(C)=O)c(C)nc2sc(C#N)c(N)c12 16249269 PYDOIYXCDYPPQX-UHFFFAOYSA-N 277.374 2.983 30 40 CFEB N#Cc1cccc(C(=O)NCCc2cccs2)c1 19429342 WWDUTAFNAMXQMU-UHFFFAOYSA-N 256.330 2.592 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)C1CC(F)(F)C1)C2 1614933043 CZRSBJNCXQTADD-HNNXBMFYSA-N 298.377 2.675 30 40 CFEB CO/N=C\C(/C=N/OC)=C(O)c1ccc(Cl)cc1 20218684 VZBMXTUMWIAHSP-KSLLTTGCSA-N 268.700 2.874 30 40 CFEB Cc1nc(C)c(C(=O)Nc2sccc2C#N)s1 32988056 VCFXGSVZXJPYNW-UHFFFAOYSA-N 263.347 2.945 30 40 CFEB Cc1cccc(NC(=O)[C@H](C#N)Cc2ccncc2)c1 420085 FMKPKXMWSRWWNB-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB COc1ccc(C(=O)CC#N)c(Br)c1 1857794168 FBZBNQACPNHZAL-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)C[C@H]1C=CCC1 47332700 LUIKUXGNNMEBHF-LBPRGKRZSA-N 287.338 2.582 30 40 CFEB N#Cc1ccc(NCc2cccc(Cn3ccnc3)c2)nc1 29585276 SDMTWUWTGYAWLI-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB CC/N=C(\NCc1c(C)noc1C)NC[C@H](C)C(C)C 176990900 YAHGUMLZDFCXMI-NSHDSACASA-N 280.416 2.639 30 40 CFEB C=CCn1c(N)nnc1S[C@H](C)c1ccccc1 36396302 PBQAPCTWILHJFT-SNVBAGLBSA-N 260.366 2.900 30 40 CFEB C[C@@H]1C/C(=N/O)c2c(-c3ccc4c(c3)OCO4)nn(C)c2C1 5211818 UUOFYIDQBMYCHZ-MIXBIVSBSA-N 299.330 2.576 30 40 CFEB CC[C@H](C#N)NC(=O)CCCOc1ccccc1C 65624428 AYSIUSRNMXQOHF-CYBMUJFWSA-N 260.337 2.572 30 40 CFEB CN(C)[C@@H](Cc1ccc(C#N)cc1)C(=O)c1ccccc1 6544290 JHADWHLKPDXQLN-KRWDZBQOSA-N 278.355 2.914 30 40 CFEB C#CCN(CC(F)(F)F)C(=O)c1cnc(CCC)s1 96425045 OTYZWRVGOGLWSS-UHFFFAOYSA-N 290.310 2.733 30 40 CFEB C=CCNC(=O)Cc1nc(-c2cccs2)oc1C 73433303 MMIDZIMLXBYHHR-UHFFFAOYSA-N 262.334 2.556 30 40 CFEB N#Cc1c(F)cccc1NCc1cccnc1-n1cccn1 69699559 GPQUBYGWBYLGEX-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB N#C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 26822017 UICMCANVSAQMRW-LJQANCHMSA-N 291.398 2.897 30 40 CFEB CC(C)c1nc(O)nc(-c2cccc(F)c2)c1C#N 257198339 ZLRXNHASKCKKOQ-UHFFFAOYSA-N 257.268 2.983 30 40 CFEB CC(C)c1nc([N+](=O)[O-])cn1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5614128 WFGDGXNGTKCSLH-BABPBGDWSA-N 278.312 2.716 30 40 CFEB COc1cccc(C(=O)Nc2cccc(C#N)c2)c1 3603831 JPTDZKPCDMSQCT-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB C/C(=N\NC(=S)Nc1ccccc1)c1ccccn1 5389799 VHVSCHSQNUUXNS-GZTJUZNOSA-N 270.361 2.792 30 40 CFEB biogenic COc1ccccc1[C@H](O)C1=CC(=O)c2ccccc2C1=O 2044383 DSWWHFIZZUAYDV-SFHVURJKSA-N 294.306 2.734 30 40 CFEB C=CCNC(=O)c1ccccc1C(=O)c1cccs1 25706347 CZDNKOFKVHCBTR-UHFFFAOYSA-N 271.341 2.895 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccc(C)o1 107747205 DPUXKWUMMYIOCL-BHYGNILZSA-N 291.391 2.770 30 40 CFEB COC(=O)c1ccoc1CO/N=C/c1cccs1 95348715 UFIXHKWLBIHVTJ-NTUHNPAUSA-N 265.290 2.678 30 40 CFEB CC(C)n1c(SCC#N)nc2ccccc2c1=O 3528012 HUMYQZOGZPBQAP-UHFFFAOYSA-N 259.334 2.593 30 40 CFEB CCCCNC(=S)N/N=C(\C)c1ccccc1F 7012615 KVDQOYWBNUSBDF-MHWRWJLKSA-N 267.373 2.814 30 40 CFEB Cc1c(/C=C/c2cccc(Cl)c2)n[nH]c(=O)c1C#N 7324762 WYSJDMKHHMAKGG-AATRIKPKSA-N 271.707 2.774 30 40 CFEB Cc1ccccc1C1(O)CCN(C[C@@H](C#N)CCC#N)CC1 75923340 JYGSBTPPZSCRRD-MRXNPFEDSA-N 297.402 2.722 30 40 CFEB C=CCNc1c(Cc2ccccc2)c(C)nc2ncnn12 35315299 CFNRUWPODULFKV-UHFFFAOYSA-N 279.347 2.621 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(O)c(Cl)c1 409104167 GAYNONKBEHVLSZ-VIZOYTHASA-N 292.682 2.795 30 40 CFEB CCn1nc(OCc2cccc(Cl)c2)c(C#N)c1N 225830164 PGYXZVCIQBTJNW-UHFFFAOYSA-N 276.727 2.589 30 40 CFEB CC(C)COc1ccc(NC(=O)N(C)[C@H](C)CC#N)cn1 86296596 FMQJGEBSAARAIO-GFCCVEGCSA-N 290.367 2.882 30 40 CFEB C=CCOC(=O)c1cc(N)ccc1N1CCCC[C@H]1C 226278798 MHXWLAILUBLDSO-GFCCVEGCSA-N 274.364 2.990 30 40 CFEB COCc1ccccc1C(=O)[C@@H](C#N)c1ccc(F)cn1 80435384 BTDHJFXDOAOHFC-AWEZNQCLSA-N 284.290 2.857 30 40 CFEB C[C@H](NCCO[C@H]1CCCCO1)c1ccc(C#N)cc1F 390835851 ZYUYXEAVUDLAOC-LRDDRELGSA-N 292.354 2.891 30 40 CFEB C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 248396815 QPYPWNQMZWPQOC-KBXCAEBGSA-N 295.386 2.761 30 40 CFEB COc1cc(Cl)nc(/N=C/c2cccc([N+](=O)[O-])c2)n1 3131538 GLYSKRPAIGMSMA-VGOFMYFVSA-N 292.682 2.797 30 40 CFEB CCC[C@@H]1O[C@]23CCCC[C@@H]2[C@@](C#N)(C(=N)O3)C1(C#N)C#N 5509191 QSYAOBUMIKSMLP-KNPMLCFXSA-N 298.346 2.623 30 40 CFEB COc1ccc(-c2nn(CCC#N)c(=O)o2)c2ccccc12 13565824 WPIAZELIIFWPEJ-UHFFFAOYSA-N 295.298 2.579 30 40 CFEB O=[N+]([O-])c1cccc(CO/N=C\c2ccccc2O)c1 16932442 IJEPAOAPPKGTTC-DHDCSXOGSA-N 272.260 2.851 30 40 CFEB COc1cccc(/C=C2/CC[C@H](CN(C)C)C2=O)c1 1625850 QXCONXOZKDRDML-RNQWEJQRSA-N 259.349 2.619 30 40 CFEB Cc1ccc(C[C@@H](C#N)Sc2nnc(N)s2)cc1 7414866 QCDQYSCPDIEMMX-JTQLQIEISA-N 276.390 2.656 30 40 CFEB N#Cc1ccsc1NC(=O)Cc1ccccc1F 7796913 ZLOLCWQQUYQMND-UHFFFAOYSA-N 260.293 2.940 30 40 CFEB C=C(Br)CN(CC(=C)Br)C(C)=O 1639307 UZDNUEKCNWQHGO-UHFFFAOYSA-N 296.990 2.652 30 40 CFEB COc1cc(OC)c(OC)cc1CNc1ncccc1C#N 22815556 WSZFIZAHOFYKPB-UHFFFAOYSA-N 299.330 2.591 30 40 CFEB N#CCC[C@H](C#N)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 97085581 AXDBRXQLXJWTOF-GFCCVEGCSA-N 295.302 2.902 30 40 CFEB C=CCN1COc2ccc3c(C)c(C)c(=O)oc3c2C1 61969179 UGPWMMXYVDLDNX-UHFFFAOYSA-N 271.316 2.748 30 40 CFEB CC1CC(=O)C(=C2NC(C)(C)Cc3ccccc32)C(=O)C1 100748474 XXUHMDXLDNQBFJ-UHFFFAOYSA-N 283.371 2.890 30 40 CFEB biogenic C=C(Br)CNC(=O)c1c(C)noc1C(C)C 49297195 HZHFHQGUZRLJJR-UHFFFAOYSA-N 287.157 2.745 30 40 CFEB COCc1c(C(=O)OCC#N)sc2cccc(F)c12 6850764 AEGYGGMCXUFURU-UHFFFAOYSA-N 279.292 2.867 30 40 CFEB CN(CCC#N)Cc1ccc(OC(F)(F)F)cc1 19834203 AWIPHYGEHHHXAP-UHFFFAOYSA-N 258.243 2.931 30 40 CFEB C[C@H](NCc1cc(C#N)ccc1F)[C@@H](C)n1cccn1 69813481 NWMVVIRDQKKNLB-NWDGAFQWSA-N 272.327 2.633 30 40 CFEB C=CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1 408929134 HLRQNNGELDIFPI-ZVRISXNUSA-N 288.372 2.783 30 40 CFEB C[C@@H](NC(=O)C1(C#N)CCCC1)[C@H](c1ccccc1)N(C)C 193658241 MIKRLLNQLFXVPR-GDBMZVCRSA-N 299.418 2.878 30 40 CFEB N#Cc1cccnc1Nc1ccn(CCc2ccccn2)n1 97212897 CIYPSOYKGUKGHW-UHFFFAOYSA-N 290.330 2.531 30 40 CFEB C=CCNC(=S)N/N=C/c1ccc(C(C)(C)C)cc1 13683565 GTLWHVUWUKACHV-GZTJUZNOSA-N 275.421 2.968 30 40 CFEB COc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1O 7343329 FECKQIGJXAAXBB-LICLKQGHSA-N 296.330 2.734 30 40 CFEB COc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1 585150 YJBZOPLRLQOQAQ-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB COc1ccc([C@](C#N)(CCCN)C(C)C)cc1OC 5761472 UCWOSFAANAZHKR-INIZCTEOSA-N 276.380 2.860 30 40 CFEB C[C@@H](NC(=O)c1ccc(F)nc1)c1cccc(C#N)c1 72542904 HAABPCBPTRVKLP-SNVBAGLBSA-N 269.279 2.583 30 40 CFEB N#Cc1ccccc1COC(=O)COc1ccc(F)cc1 7289802 GQXMVRBUHDLHTQ-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB Oc1ccc(/C=N/Nc2ccc(F)cc2F)c(O)c1 7930028 QVEFRPNVTDKWMJ-FRKPEAEDSA-N 264.231 2.822 30 40 CFEB C[C@@H]1CCCN(CC(=O)Nc2c(C#N)oc3ccccc23)C1 44875134 UERDDUAXYQLQCC-GFCCVEGCSA-N 297.358 2.975 30 40 CFEB C=C1C=C[C@@H]2C[C@]1(C)CN2S(=O)(=O)c1ccccc1 101042917 HLNFFHFBPOFRJT-UKRRQHHQSA-N 275.373 2.582 30 40 CFEB Cc1cc(NC(=O)[C@@H](C#N)Cc2c[nH]c3ccccc23)no1 49545738 ZCQJCZDJKLRNAC-LLVKDONJSA-N 294.314 2.785 30 40 CFEB Cc1sc2ncn(Cc3ccc(C#N)cc3)c(=O)c2c1C 6110668 SEDSKAHHPAQVPW-UHFFFAOYSA-N 295.367 2.995 30 40 CFEB COc1ccc(C(=O)O/N=C(\C)c2nccs2)cc1 6261799 LZDAJNLKAUTBLD-OQLLNIDSSA-N 276.317 2.733 30 40 CFEB in-vitro O=C1N[C@@H](c2cccs2)C(C(=O)c2cccs2)=C1O 4453205 KCXBDIVMYROFRT-JTQLQIEISA-N 291.353 2.676 30 40 CFEB Cn1/c(=N/N=C/c2ccccc2O)sc2ccccc21 4793700 WKRBHMHVMBAGSH-PDTIZXBLSA-N 283.356 2.880 30 40 CFEB CCc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1 408929091 GWMRDQAFQJYMEX-HFCGUZMISA-N 260.362 2.781 30 40 CFEB C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C#N)cc1 71867004 RWEBTPRZRYNJEM-NSHDSACASA-N 254.289 2.984 30 40 CFEB CC(C)C[C@H](C#N)NC(=O)c1ccn(-c2ccccc2)n1 69811157 DPMAMVPDCYYYDT-CYBMUJFWSA-N 282.347 2.540 30 40 CFEB C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccc(C#N)cc1 126045496 OUNCFIVRQVMZTA-CXAGYDPISA-N 297.402 2.610 30 40 CFEB CC1(C)OB(c2ccc(CC#N)c(Cl)c2)OC1(C)C 224682224 FZGGSFHILQIOHL-UHFFFAOYSA-N 277.560 2.705 30 40 CFEB CCc1ccc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])cc1 225243069 ZLNDORFQGXYTLU-UHFFFAOYSA-N 285.307 2.611 30 40 CFEB CCO[C@@](C)(C(=O)Nc1ccc(OC)cc1C#N)C1CC1 225836462 KWQITYLCPXOBEG-MRXNPFEDSA-N 288.347 2.711 30 40 CFEB Cn1nc(Cl)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21 1083814356 SUFQSJHBUPIZTI-UHFFFAOYSA-N 292.575 2.526 30 40 CFEB CNC(=S)NN=C/C(Br)=C/c1ccccc1 255003954 HFOZUYLTKSHTPO-KOFFPHAVSA-N 298.209 2.502 30 40 CFEB CO/N=C/C(C#N)=N\Nc1ccc(Cl)cc1Cl 100377396 STJYUOPTSQSBAS-PYIQRHLKSA-N 271.107 2.917 30 40 CFEB C[C@@H](NCC#Cc1ccccc1)[C@@H](O)c1ccccc1 22213571 GCQXUEHPSYDAAL-CRAIPNDOSA-N 265.356 2.750 30 40 CFEB CC/C=C/C(=O)CC(O)(C(F)(F)F)C(F)(F)F 1639212 KAEJKTQUZNOPEC-ONEGZZNKSA-N 264.165 2.768 30 40 CFEB C=CCn1c(C)cc(C(=O)Cn2nnc3ccccc32)c1C 6999374 XXTRNABQLCUKSO-UHFFFAOYSA-N 294.358 2.919 30 40 CFEB N#CC1(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1 12566988 HAGQBNPWVPIZNF-UHFFFAOYSA-N 297.358 2.601 30 40 CFEB COc1cccc(COC(=O)COc2ccc(C#N)cc2)c1 3287180 MMRYKJZIGVHPMD-UHFFFAOYSA-N 297.310 2.689 30 40 CFEB COCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 36391449 PCKSQNRDEKYJAL-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB CO/N=C1\C[C@@H]2[C@@H]3C/C(=N\OC)[C@H]4[C@H]5C=C[C@H]6C5C([C@H]34)[C@@H]2[C@H]16 104293348 NEQASLFCPZMGNJ-VHNRPDOXSA-N 298.386 2.571 30 40 CFEB CCn1cc(C2CCN(c3ccc(C#N)cn3)CC2)cn1 65473744 YRLTYADKXPYLJY-UHFFFAOYSA-N 281.363 2.554 30 40 CFEB CCCN1CCC(=NNc2ccc(C(=O)O)cc2)CC1 4933398 XCSODGTWAOOLBK-UHFFFAOYSA-N 275.352 2.659 30 40 CFEB Cc1cccc(NCC(=O)N[C@](C)(C#N)C(C)C)c1C 15288655 XFGKCLXMNBTNPP-MRXNPFEDSA-N 273.380 2.770 30 40 CFEB N#Cc1ccccc1OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 7719468 GCBBKDLYBBUVEC-GDBMZVCRSA-N 298.386 2.976 30 40 CFEB C[C@@H](CNc1ccc(F)cc1C#N)Cn1ccnc1 91454410 DSRQZJPVJMZYOY-NSHDSACASA-N 258.300 2.642 30 40 CFEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccoc1 111504641 FMLSRNMTHKTTQZ-LFIBNONCSA-N 256.305 2.867 30 40 CFEB N#Cc1cccc(OCCNc2cccc(CO)c2)c1 97037429 ZDCWFWDCCJHRJL-UHFFFAOYSA-N 268.316 2.541 30 40 CFEB Cn1nccc1CNc1cc(C#N)ccc1C(F)(F)F 97163541 PYQJWVGQAQVNDI-UHFFFAOYSA-N 280.253 2.923 30 40 CFEB CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2)[C@@H](CC)C1 84736313 QVZVOEYGZYPTML-DLBZAZTESA-N 299.418 2.685 30 40 CFEB Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C#N)[C@@H](C)CO1 76041211 DELMQCQWKBHWHR-ZFWWWQNUSA-N 286.375 2.833 30 40 CFEB C=C[C@H](O)C#CC#C[C@H](/C=C/CCCCC)OC(C)=O 95933356 BSDJVZWJXREWPD-MQZKNQHPSA-N 274.360 2.608 30 40 CFEB biogenic CSc1nnc(-c2ccccc2)c(=O)n1/N=C/C(C)C 145187027 PRROOIBMKHYNCM-OQLLNIDSSA-N 288.376 2.517 30 40 CFEB O=C1C=C(c2ccccc2)C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 252514835 FBCSKRIOXNULOU-YXAMBPQSSA-N 250.297 2.660 30 40 CFEB N#Cc1ccncc1N1CCC(C(F)(F)F)CC1 135612249 HUEREUWXVQEZDG-UHFFFAOYSA-N 255.243 2.732 30 40 CFEB Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2ccccc21 100811294 VEJSXKCXLORTAU-VLGSPTGOSA-N 293.351 2.853 30 40 CFEB C#CCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 50027014 JQLXVJLUWKKDPJ-UHFFFAOYSA-N 294.757 2.763 30 40 CFEB CC(C)Cn1c(N)c(C#N)c2nc3ccccc3nc21 501873 OKDZAKJSMLHQOM-UHFFFAOYSA-N 265.320 2.694 30 40 CFEB COc1cccc(CC(=O)N(CCC#N)Cc2ccco2)c1 78915905 NAOXEOKMUBGWRH-UHFFFAOYSA-N 298.342 2.773 30 40 CFEB Cc1nc(C)c2c(=O)oc3ccccc3c2c1C#N 1385393 ITIUOCZDNPTFMJ-UHFFFAOYSA-N 250.257 2.830 30 40 CFEB C#CCn1cnc(-c2ccccc2Br)c1N 100761261 IWZZRIDDZNMJNA-UHFFFAOYSA-N 276.137 2.528 30 40 CFEB NC(=S)N/N=C1/CCCC/C1=C\c1ccccc1 104285408 FPXMOZPLGOOXJA-YCNRLPBWSA-N 259.378 2.833 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)NCCc1ccccn1 58453697 YCSICUBTEHVMDO-UHFFFAOYSA-N 280.331 2.626 30 40 CFEB Cc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccccc1 48519356 HFECSERKJDCWNU-UHFFFAOYSA-N 289.356 2.830 30 40 CFEB CCc1ccc(C(=O)N(CCC#N)CC2CCC2)o1 72271065 GRKQUEATYDCQQX-UHFFFAOYSA-N 260.337 2.998 30 40 CFEB Cc1noc(/C=C\c2ccc(C#N)cc2)c1[N+](=O)[O-] 33775643 UQWTTYKFTNNAMO-SREVYHEPSA-N 255.233 2.933 30 40 CFEB N#Cc1cc(C23CC4CC(CC(C4)C2)C3)nc(O)c1C#N 66087717 IXDIOASDRKXKSR-UHFFFAOYSA-N 279.343 2.998 30 40 CFEB C[C@H]1CCc2ccccc2N1CC(=O)N[C@@](C)(C#N)C1CC1 8780202 DHKHZVXTZANTDH-UGSOOPFHSA-N 297.402 2.636 30 40 CFEB CN(C(=O)[C@H]1C[C@@H]1c1ccco1)c1cccc(C#N)c1 49374701 UVJSBKLXOFYMTP-KBPBESRZSA-N 266.300 2.918 30 40 CFEB O=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1Cl 1652393 ZLNCGJPMHDQXFM-LICLKQGHSA-N 298.733 2.774 30 40 CFEB C=CCOc1ccc2c(c1O)C(=O)c1ccccc1C2=O 78546397 CFGQJMGCSSOFOB-UHFFFAOYSA-N 280.279 2.732 30 40 CFEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccccc2)cc1 104119251 HRJGHHRFUCPXRA-IDTYTIONSA-N 293.322 2.704 30 40 CFEB C[C@H]1c2ccc(C#N)n2CCN1C(=O)OC(C)(C)C 20282619 HWUUOZDDKFLWBL-JTQLQIEISA-N 261.325 2.671 30 40 CFEB O=[N+]([O-])c1ccc(NCCNCC#Cc2ccccc2)cc1 8435923 KBURWCCBKAGJRU-UHFFFAOYSA-N 295.342 2.648 30 40 CFEB CN1[C@H]2CC[C@H]1/C(=C/c1ccc[nH]1)C(=O)/C2=C\c1ccc[nH]1 103811975 UTIVJFPJRPAEBG-YCQKYDARSA-N 293.370 2.855 30 40 CFEB N#Cc1oc2ccccc2c1NC(=O)CN1CCCCC1 44875100 LFSCIBDYSMBOFU-UHFFFAOYSA-N 283.331 2.729 30 40 CFEB N#CC1(NC(=O)CNc2ccc(F)cc2Cl)CCCC1 15293206 PEIRJJSNXWFSMJ-UHFFFAOYSA-N 295.745 2.844 30 40 CFEB CN(CCOc1ccccc1F)c1cccnc1C#N 95941829 DUOIIMRTUQEEBY-UHFFFAOYSA-N 271.295 2.608 30 40 CFEB C=CCN(C)S(=O)(=O)c1ccc(NCCCC)cc1 75103411 ROAIWTAGBYIHAN-UHFFFAOYSA-N 282.409 2.705 30 40 CFEB COc1cc(C)c(C(=O)/C=C/c2csnn2)cc1OC 66746388 CRWYKZXNGGZHBL-SNAWJCMRSA-N 290.344 2.760 30 40 CFEB CCCN[C@H](C#N)c1ccc([C@H](C#N)NCCC)cc1 31870870 IRPYMZCTDBCQBF-IYBDPMFKSA-N 270.380 2.815 30 40 CFEB CCCCSc1nc(N)c(C#N)c(CCC)n1 225891784 UDUYUCGSETWNOJ-UHFFFAOYSA-N 250.371 2.775 30 40 CFEB C[C@@H]1CC(C)(C)C[C@@](CO)(NCCCCC#N)C1 96452931 TUDJYRFHRJRBAN-HIFRSBDPSA-N 252.402 2.847 30 40 CFEB CCN(CC#N)C(=O)[C@@H](C)CCc1ccccc1F 79733581 YQZOVKUQNMZWMV-LBPRGKRZSA-N 262.328 2.766 30 40 CFEB Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 498949 UHTJYHTVZSXQEF-QGOAFFKASA-N 282.343 2.979 30 40 CFEB CC(C)(C)C(=O)O/N=C(/N)c1cc(Cl)nc(Cl)c1 4280515 PVJLCWRGHJLKSI-UHFFFAOYSA-N 290.150 2.598 30 40 CFEB C/C(=N\N=c1\[nH]c(C)cs1)c1ccc([N+](=O)[O-])cc1 12200758 OWWVWNPVYRJFBW-NTEUORMPSA-N 276.321 2.618 30 40 CFEB O=C(O)c1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 16449060 SNZXXONMLGADKF-OQLLNIDSSA-N 285.259 2.739 30 40 CFEB Cc1nc2ccc(Cl)cc2cc1C(=O)OCC#N 10468103 MFOPCBVRBHQDKM-UHFFFAOYSA-N 260.680 2.877 30 40 CFEB Cc1nc(NC[C@@H](CC(=O)O)C2CC2)c(Cl)cc1C#N 685938911 AYIRSTAMTYBRGK-LLVKDONJSA-N 293.754 2.828 30 40 CFEB C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1Cl 42220670 JHPOMPDJWLXTEN-MNOVXSKESA-N 266.772 2.681 30 40 CFEB C=CCN(C(=O)OCC)P(=O)(OCC)OCC 1731278 QBTJSJCWNJOYOX-UHFFFAOYSA-N 265.246 2.812 30 40 CFEB CCCC[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 4722200 BMKFSYAXODOSHM-QVASGMJFSA-N 281.268 2.533 30 40 CFEB N#Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 12769953 HMMVYIXTUHESRZ-UHFFFAOYSA-N 281.271 2.648 30 40 CFEB CCOc1c(OC)ccc(/C(C)=N\O)c1OCC 104251015 SRCSENLGKRYQKP-ZROIWOOFSA-N 253.298 2.691 30 40 CFEB O=C(C#Cc1ccccc1)N(CC(F)(F)F)C1CCC1 95430405 HXBQLUWJASIFOH-UHFFFAOYSA-N 281.277 2.982 30 40 CFEB C=CC[C@@](O)(CCN1CCOCC1)c1ccc(Cl)cc1 27346165 TVUUCRALGQEQKO-MRXNPFEDSA-N 295.810 2.826 30 40 CFEB Oc1ccc(/C=N/Nc2nc3ccccc3o2)c(O)c1 16800970 GFKRMEYYZIIYMO-OVCLIPMQSA-N 269.260 2.685 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)C1CCC(F)(F)CC1 96502363 KMYRUFKDRTVLLD-QMMMGPOBSA-N 283.340 2.897 30 40 CFEB C=C(C)CN/C(S)=N\N=C(/C)c1ccc(OC)cc1 8774713 UMMYMWVAVAFBMI-LFIBNONCSA-N 277.393 2.871 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 8775840 HBMBDCHQEZBRQE-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB CCn1c(N/N=C/c2ccc(O)c(O)c2)nc2ccccc21 408692618 QTCJDCUOCSJWHF-LICLKQGHSA-N 296.330 2.913 30 40 CFEB N#Cc1ccnc(OC[C@@H]2CCCN(CC(F)(F)F)C2)c1 1776001247 HDGZSKHLINMYSE-GFCCVEGCSA-N 299.296 2.606 30 40 CFEB COc1ccc(/C=C/C(=O)[C@]23CCCC[C@@H]2O3)cc1OC 100019807 QUUNKNVMAVPMIY-OLMWUWOUSA-N 288.343 2.998 30 40 CFEB CC(C)c1nc(N/N=C/c2ccc(O)cc2)cc(N(C)C)n1 5849695 YVATUMYTXPFGJX-LICLKQGHSA-N 299.378 2.818 30 40 CFEB C=CCNC(=S)N/N=C(C)/C=C/c1ccc(OC)cc1 16943051 DOHGGHHPPPHTRT-UEMOYGGNSA-N 289.404 2.734 30 40 CFEB CN(Cc1ccc(F)cc1)C(=O)c1cccc(C#N)c1 6429911 IMUSIIINMUTYCE-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB C#CCN(Cc1ccn(C)c(=O)c1)[C@@H]1CCc2ccccc21 52846226 RUSOQLRHQYTLFJ-GOSISDBHSA-N 292.382 2.508 30 40 CFEB C[C@@H](NC(=O)[C@@]12C=CC(=O)[C@@H]1[C@H]1C=C[C@H]2C1)c1ccccc1 103926268 SHGFSCRXFLSRDX-HPYYITHVSA-N 293.366 2.811 30 40 CFEB CCOC(=O)C[n+]1ccc(/C=C\c2ccccc2)cc1 4895950 OCNUTEPEXQDXAN-HJWRWDBZSA-N 268.336 2.708 30 40 CFEB CC(C)(C)/N=C(\Cc1ccccc1)N1CCOCC1 104210610 NSLOWRCOXSCBHE-BMRADRMJSA-N 260.381 2.758 30 40 CFEB CC(C)=CCN1CCN(c2cccc(F)c2C#N)CC1 58087239 DIYKFSLCQXPVGY-UHFFFAOYSA-N 273.355 2.786 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@H]2CCCC[C@@H]2C)c1 12522016 PUJUDMRZNNJTAL-BBRMVZONSA-N 270.376 2.775 30 40 CFEB Cc1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1O 11712551 IZIXHXDBWVOTQU-UHFFFAOYSA-N 297.310 2.808 30 40 CFEB C[C@H](CN1CCCC1=O)Nc1cc(Cl)ccc1C#N 71914502 PDSXYQVWWQVHLO-SNVBAGLBSA-N 277.755 2.634 30 40 CFEB CCOCCCC(=O)N[C@@](C)(C#N)C1CCCCC1 71908452 MOYFBESNDULGCU-HNNXBMFYSA-N 266.385 2.782 30 40 CFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(C#N)CCCCC1 5868470 MBHXDURQAWJVDR-CYBMUJFWSA-N 297.358 2.668 30 40 CFEB CC(C)(C)CCS(=O)(=O)/N=C(\O)c1ccsc1 79036991 QFSWATUEOMSGCK-UHFFFAOYSA-N 275.395 2.819 30 40 CFEB C=CCNC(=O)c1ccc2nc3ccccc3nc2c1 96567866 VDZHPJXTCICCLO-UHFFFAOYSA-N 263.300 2.699 30 40 CFEB Cc1cc(CSc2nnc(C)c(C)c2C#N)no1 96500547 SGFAMDTYZPVUJU-UHFFFAOYSA-N 260.322 2.554 30 40 CFEB CCOc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 642814359 FUGOLJFMDKMWQL-UHFFFAOYSA-N 284.111 2.663 30 40 CFEB CCSc1cc(Cl)ccc1C(=O)NCC#N 97141884 ZMOWQYKKJWMELB-UHFFFAOYSA-N 254.742 2.705 30 40 CFEB N/N=C(C(=N/N)/c1cccc2ccccc12)\c1ccccc1 13403230 OAICTEQGENJXQD-KSTNYAOJSA-N 288.354 2.866 30 40 CFEB CN(C/C(=N/O)c1ccccc1)C(=O)c1ccccc1 17130933 WDVLWDTZNXBCSZ-ICFOKQHNSA-N 268.316 2.637 30 40 CFEB CN1C(=O)c2ccccc2N[C@H]1c1cccc(C#N)c1 11035788 ZZHNWQLAFZTKPT-OAHLLOKOSA-N 263.300 2.755 30 40 CFEB COC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 4516870 FASUFWVFIQWWEP-UHFFFAOYSA-N 283.331 2.867 30 40 CFEB C=CCc1ccc(OCC(=O)Nc2cccnc2)c(OC)c1 15435883 APQAPCCTLWJYDX-UHFFFAOYSA-N 298.342 2.836 30 40 CFEB N#Cc1cn(CC(=O)NC2CCCCC2)c2ccccc12 253154 MYPPUCQGDDAOLG-UHFFFAOYSA-N 281.359 2.962 30 40 CFEB C=C(C)CSc1nncn1-c1cccc(OC)c1 12537107 ARFMCTWCWVWSNG-UHFFFAOYSA-N 261.350 2.944 30 40 CFEB COc1ccccc1NC(=S)N/N=C1\C[C@@H]2C=CC[C@H]12 23741257 RLYWNVFIGLKBCR-HMILLTCMSA-N 287.388 2.934 30 40 CFEB CN(CC(=O)NCCC#N)c1ccccc1-c1ccccc1 58198013 VNEIGKHNCVUIMQ-UHFFFAOYSA-N 293.370 2.820 30 40 CFEB C=CCn1cnnc1S[C@@H](C)C(=O)c1ccc(F)cc1 48324063 NVZQZTYWAUXVAV-JTQLQIEISA-N 291.351 2.967 30 40 CFEB CCOc1cccc(C(=O)/C=C/c2cnn(C)c2)c1 60162650 JVWLPBHLTPVTIA-BQYQJAHWSA-N 256.305 2.715 30 40 CFEB N#Cc1ccc(-c2cccc(Br)c2)[nH]c1=O 11997351 MSPOLTHQIOGHCA-UHFFFAOYSA-N 275.105 2.676 30 40 CFEB C=CCOc1ccc(CN[C@@H](CCSC)C(=O)O)cc1 62717937 AERDTQNZHYEKMD-AWEZNQCLSA-N 295.404 2.547 30 40 CFEB C[C@@H](OCC1CC1)C(=O)Nc1ccc(CC#N)cc1 64468018 GSBWYNWNWAAEIQ-LLVKDONJSA-N 258.321 2.506 30 40 CFEB Cc1noc(-c2ccccc2C(=O)OCC2(CC#N)CC2)n1 96002380 ZFRDLMPNKJLIQU-UHFFFAOYSA-N 297.314 2.896 30 40 CFEB CC(C)N1C(=O)/C(=N\Nc2ccccc2O)c2ccccc21 6840206 HLQOTPJDGUIXNE-MNDPQUGUSA-N 295.342 2.963 30 40 CFEB CCC(O)(CC)CNc1ccc(Cl)c(C#N)n1 67370133 TYKLNKZPLKPCSY-UHFFFAOYSA-N 253.733 2.570 30 40 CFEB CCSCCSc1nnc(C)c(C)c1C#N 97080575 JLBCUDWYAUGSCG-UHFFFAOYSA-N 253.396 2.810 30 40 CFEB N#Cc1c2ncccc2c(=O)n2c1sc1ccccc12 3846999 AIEKCXITVOSBFL-UHFFFAOYSA-N 277.308 2.934 30 40 CFEB biogenic O=CC[C@H](C1CCCC1)n1cc(Br)cn1 95936821 QCSYUGWULRFWHZ-LLVKDONJSA-N 271.158 2.966 30 40 CFEB C=CC[C@@H](CC)NC(=O)NCCc1cn2ccccc2n1 252494346 NSSUAKJRUNMHKM-CYBMUJFWSA-N 286.379 2.531 30 40 CFEB C=CCSC/C(O)=N/S(=O)(=O)c1ccc(C)s1 48518227 BXEUUCBFTOTIHS-UHFFFAOYSA-N 291.419 2.621 30 40 CFEB CC[C@@H]1S/C(=N\c2cccc(C(C)=O)c2)NC1=O 6870815 ONZRBDJXJSBVOE-NSHDSACASA-N 262.334 2.518 30 40 CFEB N#CC1(C(=O)NCc2cccc3ccccc23)CC1 126302480 YUPLAPPPJPLMRN-UHFFFAOYSA-N 250.301 2.760 30 40 CFEB O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 5750275 WSBHCZOAVRMSAS-FNORWQNLSA-N 288.215 2.992 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F 16956075 PABJUHZVTIQIMY-WLRTZDKTSA-N 292.173 2.853 30 40 CFEB Cc1c(B2OC(C)(C)C(C)(C)O2)ccc2cccnc12 204252868 LPIAQVBDYGRZIT-UHFFFAOYSA-N 269.153 2.842 30 40 CFEB C#CCNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 22609938 YPBSPMFEEDVRIM-UHFFFAOYSA-N 291.310 2.561 30 40 CFEB N#Cc1ccsc1NC(=O)CN1CCc2ccccc21 3538076 KNVDHIDAIQZXRB-UHFFFAOYSA-N 283.356 2.621 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(O)cc2)c1 225306 DFRWJLZTGVUBMS-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB O=C1ON=C(c2ccccc2[N+](=O)[O-])/C1=C/c1ccco1 101662438 IVBDQJLCHKIHGE-FLIBITNWSA-N 284.227 2.532 30 40 CFEB O=C1Nc2cc(Cl)ccc2N/C1=C/C(=O)c1ccccn1 104238256 NZSQDDPAFPPLRM-MDWZMJQESA-N 299.717 2.866 30 40 CFEB Cc1[nH]c2ccccc2c1/C=N\N1C(=O)CSC1=S 409338926 QVRURINSCJVGQD-NSIKDUERSA-N 289.385 2.671 30 40 CFEB CC(C)NC(=O)CCNc1ccc(C#N)c(C(F)(F)F)c1 69896693 JIYSATRAUFEDQU-UHFFFAOYSA-N 299.296 2.904 30 40 CFEB N#C[C@H](NC(=O)CC1(O)CCCC1)c1ccc(Cl)cc1 73455131 MGVISYSJYOQMAC-ZDUSSCGKSA-N 292.766 2.716 30 40 CFEB N#Cc1ccc(NCc2nncn2-c2ccccc2)cc1 301098249 RVFPPIPHUBLJMJ-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2 29133439 KIOOLNRTWPFVHX-UHFFFAOYSA-N 283.306 2.933 30 40 CFEB in-vivo C=CCNc1nc(SCC(C)=O)nc2ccccc12 71415892 JSQRPJKZRZFPOO-UHFFFAOYSA-N 273.361 2.909 30 40 CFEB C#CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC1 226278511 UNVDNDMRELLUIJ-UHFFFAOYSA-N 294.354 2.868 30 40 CFEB Cc1nnc(-c2cccc(C#N)c2)n1COC(=O)C(C)(C)C 195578443 AOCNRJKUUTVLNU-UHFFFAOYSA-N 298.346 2.672 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225873741 JIPYJHCFIZIPKJ-UHFFFAOYSA-N 255.321 2.697 30 40 CFEB N#Cc1ccccc1OCCn1c(=O)oc2ccccc21 34652975 WMSVNWNCWOTGBA-UHFFFAOYSA-N 280.283 2.545 30 40 CFEB N#Cc1ccccc1SCCCNC(=O)C(F)(F)F 89809560 CSEMYHFDYZUEAP-UHFFFAOYSA-N 288.294 2.719 30 40 CFEB COCCC1(CNc2ccc(C#N)nc2)CCCC1 151812558 JNIDKOHXVUMOSO-UHFFFAOYSA-N 259.353 2.962 30 40 CFEB C=C(C)CNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 156174596 MKQWFZUBZIAVJN-SNVBAGLBSA-N 266.316 2.771 30 40 CFEB N#Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 32721304 OPLIBKBRHYLZCD-LBPRGKRZSA-N 282.265 2.973 30 40 CFEB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB([C@H](N)Cc3ccccc3)O[C@]12C 207094232 VBPSRSJQIVBEOE-JFBPSJKJSA-N 299.223 2.824 30 40 CFEB Cc1ccc(NC(=O)CSCC#N)c(Cl)c1 32648758 BOWKRLVIBOMQMT-UHFFFAOYSA-N 254.742 2.844 30 40 CFEB CCCCS(=O)(=O)/N=C(\O)c1nccc2ccccc12 73087194 JTOHJUMJALIUNG-UHFFFAOYSA-N 292.360 2.669 30 40 CFEB CC/C(N)=N/OCC(=O)Nc1ccc(C(C)(C)C)cc1 40155644 RILGUZBTXRFOCX-UHFFFAOYSA-N 277.368 2.621 30 40 CFEB N#C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(F)cc1 419726 NSOPWTVXIYXWGT-GFCCVEGCSA-N 269.279 2.542 30 40 CFEB C=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 4161970 MTQVGRZTZHONLT-UHFFFAOYSA-N 291.351 2.610 30 40 CFEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccn2C)cc1 4755044 BVSXCOIWZOLMEW-YBEGLDIGSA-N 297.387 2.763 30 40 CFEB Cc1nc([C@@H](C#N)NC(=O)OC(C)(C)C)cs1 95347615 BWQMKHDXHWTISG-MRVPVSSYSA-N 253.327 2.541 30 40 CFEB in-vitro N#CC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 100502177 SZFPCVVYKVAKNA-UHFFFAOYSA-N 290.681 2.835 30 40 CFEB CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl 13123619 RCUGICUPGGIZDM-ZDUSSCGKSA-N 288.738 2.809 30 40 CFEB O=C1CS/C(=N\N=C\c2ccc(Cl)cc2Cl)N1 6191498 YWZGAZGZNHNMNW-YIXHJXPBSA-N 288.159 2.546 30 40 CFEB C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnn(C(C)(C)C)c2)C1 71909775 ZSBWSZHACMPMCR-MLGOLLRUSA-N 288.395 2.840 30 40 CFEB C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 98214443 RJLKXMONMKZDGP-NWJSVONSSA-N 250.338 2.842 30 40 CFEB biogenic Cc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1 89718249 SERPYMHXXDCJEQ-UHFFFAOYSA-N 286.310 2.773 30 40 CFEB N#Cc1ccc(F)cc1CN1CCCSCC1 89983549 GKIWWEPGHHIHHB-UHFFFAOYSA-N 250.342 2.636 30 40 CFEB CC(C)(C#N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 96491237 JHPOIQZLAZYLAT-QWHCGFSZSA-N 292.766 2.836 30 40 CFEB CC(C)(C)c1ncsc1/C(O)=N/Cc1ccno1 330738941 OHXOMVNQBCDIAQ-UHFFFAOYSA-N 265.338 2.933 30 40 CFEB Cc1cccc(-n2nc(C#N)c(N3CCCCC3)n2)c1C 256048586 UPYCXXVFUKXAMF-UHFFFAOYSA-N 281.363 2.746 30 40 CFEB N#Cc1ccccc1NC(=O)c1ccnc(OCC2CC2)c1 253406944 VIMHHUXGFYWPRS-UHFFFAOYSA-N 293.326 2.994 30 40 CFEB O=C1/C(=C\c2ccc(O)cc2)Oc2cc(O)ccc21 897630 KEZLDSPIRVZOKZ-VGOFMYFVSA-N 254.241 2.714 30 40 CFEB in-vitro COC(=O)c1ccc(COc2cccc(C#N)c2)cc1 7441504 OTKUMXACCDWRHZ-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB Cc1nn(C)cc1-c1cc(C(F)(F)F)nn1CCC#N 12396075 KWXGEWHSPKFHOV-UHFFFAOYSA-N 283.257 2.525 30 40 CFEB C=CCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 12507145 VVFBWUWINXGZGO-UHFFFAOYSA-N 291.351 2.649 30 40 CFEB c1ccc(/N=N/C(=N\Nc2nnn[nH]2)c2ccccc2)cc1 100668710 CMGSWPMEQNAYSM-MWPXPLBMSA-N 292.306 2.757 30 40 CFEB C[C@@H](Oc1ccc(C(C)(C)C)cc1)/C(O)=N/S(C)(=O)=O 48479937 TZIZHONBCWAJCA-SNVBAGLBSA-N 299.392 2.668 30 40 CFEB Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1C 7053062 LWXVCEPZWVTINX-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB CN(C)C(=O)c1ccc(COc2ccccc2C#N)cc1 69700389 IWVXOKABAWFJEL-UHFFFAOYSA-N 280.327 2.839 30 40 CFEB C[C@@H]1SCCN(C(=O)C2(C#N)CCCCC2)[C@H]1C 71911080 RNSPTEKPTBJZLS-RYUDHWBXSA-N 266.410 2.813 30 40 CFEB N#Cc1ccc(C(=O)OCCC[C@H]2CCCO2)cc1 97113170 CJZGPEVGTOENKJ-CQSZACIVSA-N 259.305 2.674 30 40 CFEB COC(=O)[C@H]1O[C@]1(C)c1ccc(Cl)cc1Cl 85657662 KVDMLLNFJWIQDE-MWLCHTKSSA-N 261.104 2.780 30 40 CFEB NC(=O)Cn1cc(/C=N/c2ccccc2)c2ccccc21 409384438 BUWUDNFLGUNBDB-VXLYETTFSA-N 277.327 2.877 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)c1ncoc1C(C)C 73838220 CJXNFBWAOVJMJO-UHFFFAOYSA-N 288.369 2.621 30 40 CFEB CCNC(=S)N/N=C/c1ccc(OCC(C)C)cc1 33690365 PVZULEPOWAGAGB-CXUHLZMHSA-N 279.409 2.539 30 40 CFEB CC1(C)OB(c2ccc(C(CC#N)CC#N)cc2)OC1(C)C 328578330 IATIHYQBRIEDJA-UHFFFAOYSA-N 296.179 2.897 30 40 CFEB CCN(CC)c1nn(-c2ccc(C)cc2C)nc1C#N 256045731 ASWJEGNZGMXVKG-UHFFFAOYSA-N 269.352 2.602 30 40 CFEB COc1cc(C#Cc2cccc(N)c2)cc(OC)c1 94651688 SILSSNSVZBRYNZ-UHFFFAOYSA-N 253.301 2.686 30 40 CFEB N#CCSc1ccc(Br)cc1[N+](=O)[O-] 75094290 CCQWNDMYUCRQOB-UHFFFAOYSA-N 273.111 2.973 30 40 CFEB C=CCn1/c(=N/C(=O)C(C)C)sc2cccc(OC)c21 100909754 KRSCLUBBHKWYLM-NXVVXOECSA-N 290.388 2.981 30 40 CFEB Cc1cnc(C(=O)Nc2sc(C)c(C)c2C#N)cn1 20836523 NMSOETQJLRFHMK-UHFFFAOYSA-N 272.333 2.587 30 40 CFEB N#Cc1cccc(CN2CCOc3ccccc32)c1 32825387 NIKYAADLFDTXQY-UHFFFAOYSA-N 250.301 2.957 30 40 CFEB N#Cc1ccccc1OS(=O)(=O)CC1CCCCC1 78503093 RSEOJVGTDFBESR-UHFFFAOYSA-N 279.361 2.847 30 40 CFEB C=C[C@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 4031314 JBTQEJHRGJHHHA-XHXGSEDSSA-N 264.365 2.969 30 40 CFEB N#Cc1c(=O)c2cccnc2n2c1sc1ccccc12 3282885 HVDFRXKQICYANS-UHFFFAOYSA-N 277.308 2.934 30 40 CFEB N#C[C@H](C(=O)C1=Cc2ccccc2OC1)c1ccccn1 58265634 GAIBUFPTLHCZLU-AWEZNQCLSA-N 276.295 2.734 30 40 CFEB COc1ccc2oc(C)c(C(=O)N(CC#N)C3CC3)c2c1 58391636 LRTMNKCGMDNSHX-UHFFFAOYSA-N 284.315 2.878 30 40 CFEB CC(=O)Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2 104131567 FMDARDLASGKTGO-BMRADRMJSA-N 252.273 2.852 30 40 CFEB CCN(Cc1csc(-c2cnn(C)c2)n1)C[C@@H](C)C#N 49442053 HXNRUZYMYGYADG-NSHDSACASA-N 289.408 2.525 30 40 CFEB C=C[C@H](CC(=O)Nc1cnccn1)c1ccccc1 97146279 XQSSFZWDYGJCHG-GFCCVEGCSA-N 253.305 2.775 30 40 CFEB C=CCCOC(=O)c1cc(NC(C)=O)ccc1F 71803565 BLJXOVVEQAKLIK-UHFFFAOYSA-N 251.257 2.517 30 40 CFEB CCCNC(=O)[C@@H](C)Sc1nc(C)cc(C)c1C#N 17100809 ZCUZQTKTCMVBET-LLVKDONJSA-N 277.393 2.577 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1S 8783127 IZZFUIJOOSYGFW-DHZHZOJOSA-N 278.764 2.995 30 40 CFEB C=CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)C1CC1 95459341 LNHSQHGKYPUVBD-UHFFFAOYSA-N 274.364 2.879 30 40 CFEB CCc1cc(OC)n2c(nc3ccccc32)c1C#N 71807909 JURWXQJCYFOKKA-UHFFFAOYSA-N 251.289 2.930 30 40 CFEB C=CCC(C)(C)C(=O)Nc1ccc(OCCOC)nc1 225941919 PVBBLPXINFHFDN-UHFFFAOYSA-N 278.352 2.648 30 40 CFEB CC#CCNC(=O)Nc1ccc2nn(C(C)C)cc2c1 225507794 PSWSQMSQSWYKKO-UHFFFAOYSA-N 270.336 2.762 30 40 CFEB CCCc1c(N)cc(C#N)n1CCOc1ccc(OC)cc1 225862388 SQMVZAGIPOOXCO-UHFFFAOYSA-N 299.374 2.982 30 40 CFEB C=CCNC(=O)CCc1ncc(-c2ccccc2)o1 140630291 PRQJXBUOETXKFN-UHFFFAOYSA-N 256.305 2.576 30 40 CFEB N#C[C@@]1([C@H](O)Cc2ccccc2)CCc2ccccc21 91884667 NTVXNNDJWLEYFI-MSOLQXFVSA-N 263.340 2.998 30 40 CFEB C[C@@H](Cc1ccoc1)NC(=O)c1cccc(C#N)c1 84836044 BFHXDSAPTHHFSG-NSHDSACASA-N 254.289 2.512 30 40 CFEB CCO[C@H](C)OCC#Cc1ccc(OC)c(F)c1 95632206 UBPDJPDKKIFXQN-NSHDSACASA-N 252.285 2.585 30 40 CFEB C=CCCC(=O)NC[C@H](OC)c1cccc(F)c1 96387895 CTROEEZNMOABGU-ZDUSSCGKSA-N 251.301 2.596 30 40 CFEB C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C 16093986 XIIZPFSITDJMSI-LALPHHSUSA-N 292.404 2.661 30 40 CFEB N#Cc1cccnc1NCc1ccc(N2CCOC2=O)cc1 97083977 UJAPVUOKMVQKPI-UHFFFAOYSA-N 294.314 2.522 30 40 CFEB NC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1 13118209 KJQCJIXHMGBMJO-VGOFMYFVSA-N 275.289 2.506 30 40 CFEB N#Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2F)c1 7405118 YFOSVDQWZGOQCD-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB N#Cc1cc2c(C(=O)c3cccs3)cn(O)c2cc1C#N 96336555 KZOQMNGPTYYEQI-UHFFFAOYSA-N 293.307 2.914 30 40 CFEB CCC[C@@](C)(Sc1nc(C)ccc1C#N)C(=O)O 12419260 JFYKILGURBFFIK-CYBMUJFWSA-N 264.350 2.997 30 40 CFEB N#Cc1cc2c(nc1OCC1CC(F)(F)C1)CCC2 585652952 ZQQNTSMIYHZTPY-UHFFFAOYSA-N 264.275 2.866 30 40 CFEB C=C(C)CSc1nc(-c2ccco2)c(C#N)c(=O)[nH]1 21660130 NCWKOCUYNCSEOB-UHFFFAOYSA-N 273.317 2.570 30 40 CFEB Cc1cccc(NN=C2C(=O)CC(C)(C)CC2=O)c1 554256 CAUMNOJKJZBUKX-UHFFFAOYSA-N 258.321 2.721 30 40 CFEB O=C1Nc2cc(F)ccc2N/C1=C/C(=O)c1ccccc1 77024277 DQFLXMAFWCUROO-NTEUORMPSA-N 282.274 2.957 30 40 CFEB N#Cc1cc(N[C@H]2CCC[C@@H]2CO)nc2ccccc12 78364437 LLALEJKJEVCLAP-RISCZKNCSA-N 267.332 2.679 30 40 CFEB CC(=O)O[C@@H]1C[C@@H]2O[C@H]3C=C(C)CC[C@]3(C)[C@@]1(C)[C@]21CO1 1699313 HNEGCRMUYSKRRR-FQMQPWHVSA-N 292.375 2.611 30 40 CFEB CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccsc1 25328992 IFKOFCNKJRSFFA-HNNXBMFYSA-N 299.399 2.652 30 40 CFEB N#CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 58289937 NUUHSKJRPRVGFL-UHFFFAOYSA-N 282.265 2.762 30 40 CFEB CC[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCO1 97111092 OZZDEXYJXNPOQV-LSDHHAIUSA-N 262.328 2.745 30 40 CFEB CNC(=O)c1ccc(/C=C/C(=O)c2ccccc2)cc1 12908808 AQTJMAQDGRNFRL-FMIVXFBMSA-N 265.312 2.942 30 40 CFEB O/C(=N\c1nncs1)[C@@H]1CCCN1Cc1ccccc1 49478598 DGBYWHCIYHHYGF-LBPRGKRZSA-N 288.376 2.791 30 40 CFEB N#Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409066216 MIJCEURTELBPNU-CXUHLZMHSA-N 267.244 2.923 30 40 CFEB N#CCNC(=O)c1ccccc1OC1CCCCC1 96423636 QEYBNUQMRBDDEO-UHFFFAOYSA-N 258.321 2.651 30 40 CFEB N#Cc1ccccc1NC(=O)CN1CCc2ccccc2C1 7782750 DJAKTOQDVVDRPC-UHFFFAOYSA-N 291.354 2.555 30 40 CFEB C=C(Br)CSc1nnc(C)n1CCC 89707690 JNXGEZCVMKYUEK-UHFFFAOYSA-N 276.203 2.997 30 40 CFEB C[C@@]12C=CC=C[C@@H]1NC(=C1C(=O)c3ccccc3C1=O)C=C2 4262801 CGYGWHFQDJJFRU-KXBFYZLASA-N 289.334 2.980 30 40 CFEB biogenic CCCn1c(C#N)cc(N)c1Oc1ccc2c(c1)OCO2 225886083 NIOPSTRLXQHYBY-UHFFFAOYSA-N 285.303 2.873 30 40 CFEB C#CCCCOC(=O)c1snnc1-c1cccs1 223846646 VMRXYDWGLGWQQV-UHFFFAOYSA-N 278.358 2.837 30 40 CFEB N#CCc1nc(C(F)(F)F)ccc1OC(F)F 514263991 NNXHVKUVMLBWAR-UHFFFAOYSA-N 252.142 2.768 30 40 CFEB Cc1ccccc1N1CCN(c2ccc(C#N)cn2)CC1 54359418 KKOBYJCPPYVSMA-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB CC(C)(C)[C@@](C)(C#N)NC(=O)Cc1ccc(F)cc1 95997546 GCGYQZYXDLQRLW-OAHLLOKOSA-N 262.328 2.813 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H](C#N)C2)C1 260812996 UDWXJBGBCPVEAE-RISCZKNCSA-N 250.342 2.937 30 40 CFEB CC(=O)N/C(C)=C1\CC[C@H](c2ccccc2)CC1=O 5220467 IVTRYXURXVQWJI-AYYGCFCKSA-N 257.333 2.933 30 40 CFEB CC(C)NC(=O)CSc1nc2ccccc2cc1C#N 1331026 IQCPYAIPCWOSOM-UHFFFAOYSA-N 285.372 2.723 30 40 CFEB N#Cc1ccc(NCC(=O)NC2CCCCCC2)cc1 21886964 XFJRCVLMHQKAAQ-UHFFFAOYSA-N 271.364 2.809 30 40 CFEB N#Cc1ccccc1COc1ccc(Cl)cc1C(N)=O 9836607 SPTQSROKQBNILA-UHFFFAOYSA-N 286.718 2.890 30 40 CFEB N#Cc1ccc(COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 100902004 YTZKSAFHTYQRCR-KKUMJFAQSA-N 253.301 2.814 30 40 CFEB Cc1cc(C)n2c3c(c(C#N)c2n1)CC(C)(C)OC3 494235 ZTHCFLNBWBCBQX-UHFFFAOYSA-N 255.321 2.674 30 40 CFEB CCS/C(=N/Nc1ccccc1[N+](=O)[O-])C(C)=O 102457637 YJRYCFMDRJESSQ-ACCUITESSA-N 267.310 2.662 30 40 CFEB CC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc2O1 1030 JTVSKASWNROQQF-UHFFFAOYSA-N 278.311 2.780 30 40 CFEB investigational N#Cc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794864 NSXJZLFBWALIQW-UHFFFAOYSA-N 276.093 2.523 30 40 CFEB N#Cc1c(NC(=O)c2cnccn2)sc2c1CCCC2 74587 BEAKIQPRTWAVNZ-UHFFFAOYSA-N 284.344 2.541 30 40 CFEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 138193 PPHGTCXYAXDOSG-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB COc1ccc(C)cc1CCNc1ncccc1C#N 26761027 BYMKJLBQWFUOJE-UHFFFAOYSA-N 267.332 2.925 30 40 CFEB C=C(C)CNC(=S)N/N=C/c1ccc(C)cc1C 3261755 BTWGVLUPAMKGDQ-CXUHLZMHSA-N 261.394 2.678 30 40 CFEB Nc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1[N+](=O)[O-] 104260712 TWARVKUEINMADQ-OVCLIPMQSA-N 286.247 2.836 30 40 CFEB Cc1ccc(S(=O)(=O)OC2Cc3ccccc3C2)cc1 2572187 QUYCPYFNAZEWOT-UHFFFAOYSA-N 288.368 2.868 30 40 CFEB in-vitro CC(C)OCCC/N=C(\S)NCCc1ccccc1 2784550 PKLZLJPAOJXPJB-UHFFFAOYSA-N 280.437 2.920 30 40 CFEB C=CCNC(=S)Nc1cc(OC)c(Cl)cc1OC 2774949 YNMRYEWHHZXMCS-UHFFFAOYSA-N 286.784 2.830 30 40 CFEB C[C@H](SCC(=O)NCCC#N)c1c(F)cccc1F 49065128 NADUMQHPOKUBKW-VIFPVBQESA-N 284.331 2.789 30 40 CFEB COc1cc(/C=N/Nc2cccc(Cl)n2)ccc1O 4673196 NPOJQWLWLLNOME-OVCLIPMQSA-N 277.711 2.895 30 40 CFEB Cc1nc(C(=O)N[C@@H](C#N)c2ccccc2C)cs1 66405644 DTAAKLAGKUGVFT-LBPRGKRZSA-N 271.345 2.755 30 40 CFEB N#Cc1cccc(CSCC(=O)NCc2ccco2)c1 8852736 QRLORWOYHCFUGW-UHFFFAOYSA-N 286.356 2.701 30 40 CFEB C=CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 95983475 RLEZFVKSGKVWGS-UHFFFAOYSA-N 261.281 2.777 30 40 CFEB C=CCn1nc(C)c(CCC(=O)NC2CCCC2)c1C 72242967 MDYIEKZYLVBGCG-UHFFFAOYSA-N 275.396 2.677 30 40 CFEB CCOC(=O)C1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CC1 225992287 IJCTUHZETYCFIV-UHFFFAOYSA-N 298.342 2.524 30 40 CFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NOC 96416885 MDTMKODLGATGNP-UHFFFAOYSA-N 275.226 2.561 30 40 CFEB COc1cc(C#CCO[C@H]2CCCCO2)cc(OC)c1 95632000 PFGOLBQLIQJULD-INIZCTEOSA-N 276.332 2.599 30 40 CFEB CCOc1cc(C#N)ccc1OCc1noc(C2CC2)n1 49337322 LATUPSJEYXMJOB-UHFFFAOYSA-N 285.303 2.796 30 40 CFEB O=C([C@H]1O[C@H]1c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 17314702 GRMWHJVDGCIJSN-ZYGGUILKSA-N 266.296 2.836 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccccc2)C(C(=O)OCC)=C1C 13562280 CWACJTFAMKXMOS-QINSGFPZSA-N 297.354 2.935 30 40 CFEB NC(=S)N/N=C/c1ccc(Oc2ccccc2)cc1 16490824 YRXPMAFIWJEHEQ-MHWRWJLKSA-N 271.345 2.646 30 40 CFEB C=CCCC(=O)NCc1cncc(-c2ccoc2)c1 575621358 VSNKQAJKXYHOSB-UHFFFAOYSA-N 256.305 2.924 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2c(c1)OCO2 620313192 ZOKZWSWZVOZTNR-OKILXGFUSA-N 285.343 2.667 30 40 CFEB C#CCOc1ccc(NC(=O)Cc2csc(C)n2)cc1 78668025 DSZCPSXRKYEANF-UHFFFAOYSA-N 286.356 2.645 30 40 CFEB C=CCOc1ccc(CNC[C@@H]2CCCO2)cc1OCC 6537904 WTKGQSDTWATTRK-HNNXBMFYSA-N 291.391 2.919 30 40 CFEB N#Cc1ccccc1N/C=C(\C(N)=S)C(F)(F)F 100423159 NWHOVINSXLPROV-SOFGYWHQSA-N 271.267 2.702 30 40 CFEB O=C1C=C/C(=N\Nc2ccccc2F)c2ncccc21 109665273 IYFOJGFHGVRBRJ-CPNJWEJPSA-N 267.263 2.789 30 40 CFEB C[C@@H]1CCC(=O)/C(=C/NCc2ccc3c(c2)OCO3)C1 110256446 CVMZTXWCKJIORU-VSXLWIIGSA-N 273.332 2.778 30 40 CFEB N#CCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401123 NFSQRBHOFZUGNF-HNNXBMFYSA-N 278.783 2.999 30 40 CFEB C[C@@H]1CCCN(/C(N)=N/CCCc2nc3ccccc3[nH]2)C1 69893299 KZYVDGMCJDCBKR-CYBMUJFWSA-N 299.422 2.542 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 95947397 GJTKMENOJFIPKP-SJCJKPOMSA-N 293.322 2.835 30 40 CFEB N#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)c(F)c1 89768264 KFLMPPKPJLLUBV-OAHLLOKOSA-N 296.349 2.867 30 40 CFEB CC(=O)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1 408904875 PVGZTXHGBFHHLZ-VXLYETTFSA-N 296.326 2.504 30 40 CFEB CCCCCCCCCNC(=O)C(=O)Nc1nccs1 126013628 ZQMQADSSDHQKCM-UHFFFAOYSA-N 297.424 2.948 30 40 CFEB CCn1nc(C)c(C=C2C(=O)c3ccccc3C2=O)c1C 76106260 BJUMPIOFEHGACK-UHFFFAOYSA-N 280.327 2.982 30 40 CFEB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C#N)c1 225796757 HZKMVGHADKPBTO-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB O/C(Cn1ccc2c(Cl)cccc21)=N\c1ncn[nH]1 95475224 KNHOOAGROJYVIX-UHFFFAOYSA-N 275.699 2.701 30 40 CFEB Cc1ccc(C=NN2CCN(Cc3ccccc3)CC2)o1 245232356 UFDMJXBQTXJSAM-UHFFFAOYSA-N 283.375 2.740 30 40 CFEB N#CC1(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCCC1 60852453 PUOTVXMSZAVERB-VOTSOKGWSA-N 285.303 2.561 30 40 CFEB CCn1ccc(=O)nc1SCc1cc(F)ccc1C#N 95965674 IRROCVWFWWSSNG-UHFFFAOYSA-N 289.335 2.566 30 40 CFEB C[C@H]1C/C(=N\OC(=O)c2ccccc2)[C@H](C)CN1C 13478177 BHUGEYWWNUWAAY-UWLOGMJLSA-N 260.337 2.560 30 40 CFEB C#CCN[C@@H](C)c1cccc(I)c1 1848350243 JYOHSCDEADXTRR-VIFPVBQESA-N 285.128 2.575 30 40 CFEB C=C(C)Cn1cnc2sc3c(c2c1=O)CCCC3 16619329 GMBPWMSDMMZUKE-UHFFFAOYSA-N 260.362 2.913 30 40 CFEB COc1cccc(Cl)c1CC(=O)N(CC#N)C(C)C 97142317 BJQVZDYHLXGCNS-UHFFFAOYSA-N 280.755 2.652 30 40 CFEB CC#CCn1ccnc1-c1cncc(Br)c1 97144711 CUCSRJGAJNMVMQ-UHFFFAOYSA-N 276.137 2.731 30 40 CFEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2 102899292 SUHTUPXNWQUHMA-IIAWOOMASA-N 265.421 2.818 30 40 CFEB CCNC(=O)c1cccc(NCc2cc(C#N)cs2)c1 93685918 PPUIJOBNYUZNNR-UHFFFAOYSA-N 285.372 2.982 30 40 CFEB N#CC1(NC(=O)/C=C/c2csc(Br)c2)CC1 96414455 AEPMNDNFNLAQPP-OWOJBTEDSA-N 297.177 2.696 30 40 CFEB N#Cc1ccsc1NC(=O)C[C@H]1OC(=O)c2ccccc21 9535264 WJHKPOSCZBKKCH-GFCCVEGCSA-N 298.323 2.860 30 40 CFEB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C#N)cn1 71859636 BJKHATAIAYWJIK-CQSZACIVSA-N 281.363 2.645 30 40 CFEB C=CCCC(=O)NCCCOc1ccccc1F 69416983 LBMKZGJECUTEIW-UHFFFAOYSA-N 251.301 2.677 30 40 CFEB N#C[C@@H](COC(=O)C1=COCCC1)Cc1cccs1 89302230 BRMXIHKCGPVFEB-NSHDSACASA-N 277.345 2.668 30 40 CFEB Cc1oc(NC(=O)CN(C)Cc2ccccc2)c(C#N)c1C 25948603 YBRJNYREHUCKGR-UHFFFAOYSA-N 297.358 2.839 30 40 CFEB CCOc1cccc(C(=O)N[C@@H](C#N)CC(C)C)c1 69529590 HRPPWEOXOBWEQV-CYBMUJFWSA-N 260.337 2.753 30 40 CFEB C=CCNC(=O)c1ccc(OC)c(COCCC)c1 224410199 WLNGGBNGBZEKQY-UHFFFAOYSA-N 263.337 2.538 30 40 CFEB CC1(C)CN(CC(F)(F)F)CCN1CCCCC#N 96492548 SAMIVCGOZZNYAP-UHFFFAOYSA-N 277.334 2.639 30 40 CFEB C=C(Cl)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 96447729 MYPUUZUXDOXPHK-UHFFFAOYSA-N 264.672 2.606 30 40 CFEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CCCCCC1 256046324 FGXTUGLYYHFZTH-UHFFFAOYSA-N 285.326 2.658 30 40 CFEB CSC[C@](C)(O)CNc1cc(C#N)nc2ccccc12 79017100 MTBFOXWVXMGOGG-OAHLLOKOSA-N 287.388 2.632 30 40 CFEB O=C1CSC(=S)N1/N=C\c1ccccc1Cl 16922689 KAQQUTMMRWRQSO-XGICHPGQSA-N 270.766 2.534 30 40 CFEB COC1=C(C(C)C)c2cc(C)c(O)cc2[C@@](C)(O)C1=O 604377511 KUIKAQQHWIBPIM-MRXNPFEDSA-N 276.332 2.504 30 40 CFEB biogenic,in-vitro O=C(/C=C/c1ccc2c(c1)CCO2)c1ccncc1 33374282 CKPBYRSOKLHRFJ-HNQUOIGGSA-N 251.285 2.913 30 40 CFEB COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2O)c1O 102414099 UTLPGPLXVPNPCL-OVCLIPMQSA-N 288.259 2.765 30 40 CFEB C=CCCC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 78998280 SIHPPWKSQJTKLE-OTYXRUKQSA-N 285.746 2.983 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)NCc1ccoc1 58451645 JUGFSMATTHJMEV-UHFFFAOYSA-N 255.277 2.781 30 40 CFEB N#Cc1ccc(OCCOC(=O)c2ccc(F)cc2)cc1 11117238 QWRSAJAHPLLZAK-UHFFFAOYSA-N 285.274 2.933 30 40 CFEB CC[N+](CC)(CC)CC(=O)c1ccc(OC)cc1 12016187 HMOICZGZWOSKMZ-UHFFFAOYSA-N 250.362 2.754 30 40 CFEB CC(C)NC(=S)NN=C1C2CC3CC(C2)CC1C3 5119977 WDUQWBYUSPTZCC-UHFFFAOYSA-N 265.426 2.671 30 40 CFEB CN(C)c1ccc(/C=N\NC(=S)Nc2ccccc2)o1 408997071 QPRLAAVLZLEZSE-GDNBJRDFSA-N 288.376 2.666 30 40 CFEB N#Cc1c(-c2ccccc2Br)noc1N 84162711 PBLZJYKVTYQTIT-UHFFFAOYSA-N 264.082 2.558 30 40 CFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccsc1 96055234 PTNJUJSELDTUET-HRCADAONSA-N 293.432 2.930 30 40 CFEB O=C(COc1ccc(/C=N/O)cc1)Nc1ccccc1 146914518 DCLDZPDFKWEXNW-MHWRWJLKSA-N 270.288 2.512 30 40 CFEB CC[C@@H]1CCCCN1c1nn(-c2ccccc2)nc1C#N 256049008 XQOFZIOWVDCHMK-CYBMUJFWSA-N 281.363 2.908 30 40 CFEB N/C(=N\OCC(=O)NC1CCCCCCC1)C1CCCC1 77375756 KOGHDRKQALBVNL-UHFFFAOYSA-N 295.427 2.695 30 40 CFEB C=CCO[C@H]1CCN(C(=O)c2cccc3cc[nH]c23)C1 96010758 XXVONZLLEBSWKC-ZDUSSCGKSA-N 270.332 2.585 30 40 CFEB Cc1ccn(CC(=O)c2cccc(Cl)c2)c(=O)c1C#N 97094724 PKABFJKEFMHZHV-UHFFFAOYSA-N 286.718 2.565 30 40 CFEB CCOC(=O)C[n+]1ccccc1/C=C/c1ccccc1 5574999 VRBVXJNHRDVAOZ-VAWYXSNFSA-N 268.336 2.708 30 40 CFEB CCCn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 382741651 OFVAGXPMSKSCPU-UHFFFAOYSA-N 286.184 2.746 30 40 CFEB C[C@H](Nc1ccc(C#N)cn1)[C@@H](O)c1ccc(F)cc1 78673117 HTYKJUFROWFVJP-ZUZCIYMTSA-N 271.295 2.626 30 40 CFEB C=CCCN1CCc2c([nH]c3ccccc23)[C@H]1C(=O)O 1615950 WCYRVEUBPWKGDX-HNNXBMFYSA-N 270.332 2.728 30 40 CFEB COCc1ccccc1CNC(=O)c1cccc(C#N)c1 25302890 IFKNEGMIAAMANG-UHFFFAOYSA-N 280.327 2.635 30 40 CFEB C=CCn1cnnc1S[C@@H](C#N)Cc1ccc(C)cc1 57992813 UBDRWALEAWHQSR-CQSZACIVSA-N 284.388 3.000 30 40 CFEB N#CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 58314715 PKYAIOCBTCDPSY-CYBMUJFWSA-N 268.320 2.787 30 40 CFEB Clc1cccc(N/N=C/c2ccc3c(c2)OCO3)n1 4599344 KFGQBTAMXRGZGT-VIZOYTHASA-N 275.695 2.910 30 40 CFEB N#Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 5465912 PVHYNLPSIIVVCQ-UHFFFAOYSA-N 268.291 2.670 30 40 CFEB COc1ccc(Cl)cc1C(=O)N[C@@](C)(C#N)C1CC1 9639398 NQLCQBBVNZBHCX-AWEZNQCLSA-N 278.739 2.771 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 98018855 VCPYWCOKGRFGAI-VXGBXAGGSA-N 260.362 2.882 30 40 CFEB Cc1ccc2c(c1)CN(C(O)=Nc1ccnnc1C)CCO2 329243938 PLMCWADCIITRAT-UHFFFAOYSA-N 298.346 2.534 30 40 CFEB N#CCOc1cccc(NC(=O)N2CCCCCC2)c1 48488641 AUYSUCKGRCGAHF-UHFFFAOYSA-N 273.336 2.997 30 40 CFEB CC(C)Oc1c(N)cc(C#N)n1Cc1ccc(F)cc1 225875082 FMMFLNNAQOCVLA-UHFFFAOYSA-N 273.311 2.917 30 40 CFEB CCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254797619 IKGRHEWIFBFXPP-UHFFFAOYSA-N 252.230 2.701 30 40 CFEB O=C(O)c1cc(N/N=C/c2ccncc2)ccc1Cl 4922378 YCQLLCILKYOWHV-LZYBPNLTSA-N 275.695 2.879 30 40 CFEB CC1CCC2(CC1)NC(=O)N(Cc1ccccc1C#N)C2=O 3365746 BBHGKKSSZLPLMY-UHFFFAOYSA-N 297.358 2.559 30 40 CFEB Cc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1 41819 LIDGBWGDDVKUBT-UHFFFAOYSA-N 283.356 2.506 30 40 CFEB N#CC1(NC(=O)CSCc2ccccc2)CCCC1 4836596 NYTWAOAWXFXPJD-UHFFFAOYSA-N 274.389 2.872 30 40 CFEB Cc1c(Br)cccc1C(=O)NC1(C#N)CC1 96431073 SNCCTCRXNKTQSP-UHFFFAOYSA-N 279.137 2.544 30 40 CFEB CCc1nnc(S)n1/N=C/c1ccccc1OC(F)F 8182956 XPDXBMJBTSORNY-VIZOYTHASA-N 298.318 2.613 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)Cc2cccs2)c(C)o1 97035233 ZWAIMJZSIVWNSQ-UHFFFAOYSA-N 299.373 2.846 30 40 CFEB CCc1nc(C#N)c(NC[C@@H](c2cccs2)N(C)C)o1 27793386 VQMVNYARWSDAJY-NSHDSACASA-N 290.392 2.885 30 40 CFEB C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@@H](OC(C)=O)C(=C)[C@@H]21 35465456 GKMFOEIZCLMZDE-RBZJEDDUSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro CN(C)/C=C/C(=O)c1ccccc1Br 39564334 XCJMMXLVRFISQO-BQYQJAHWSA-N 254.127 2.707 30 40 CFEB Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C=O)c1Cl 642814265 BHBVRNAYJYVEDM-UHFFFAOYSA-N 280.560 2.760 30 40 CFEB N#Cc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 42251298 KLYFALREGDUHSA-HOTGVXAUSA-N 256.349 2.702 30 40 CFEB CCOC(=O)c1ccn2c(nc3ccccc32)c1C#N 12601571 VVXDRQJRSAIMCX-UHFFFAOYSA-N 265.272 2.536 30 40 CFEB COc1ccc(C(=O)/C=C\c2ccccn2)c(O)c1 17312736 IJWKFHRJTHANPS-YVMONPNESA-N 255.273 2.692 30 40 CFEB N#CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 37232 FUCIORQIJSOBEH-UHFFFAOYSA-N 281.271 2.913 30 40 CFEB C=CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50081780 FSLZOISZYFTYIT-BETUJISGSA-N 289.379 2.608 30 40 CFEB N#Cc1nnc2ccccc2c1NCc1ccncc1 41529762 HNNDBZPRWUCGFA-UHFFFAOYSA-N 261.288 2.509 30 40 CFEB C=C[C@H]1OC[C@@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 100741669 JBTQEJHRGJHHHA-UDUPFKKZSA-N 264.365 2.969 30 40 CFEB COc1ccc(-c2csc3[nH]c(=O)c(C#N)c(O)c23)cc1 57315548 QOSRFEARXMBLJF-UHFFFAOYSA-N 298.323 2.842 30 40 CFEB CCCc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 27663210 RUPABGFLHQACNJ-UHFFFAOYSA-N 285.303 2.840 30 40 CFEB N#CCc1nc(CSc2ccc(Cl)cc2)n[nH]1 3470273 FBEXDJOWXLKCOG-UHFFFAOYSA-N 264.741 2.816 30 40 CFEB CC(C)C(=O)N[C@H](C#N)c1cccc(Br)c1 49877248 YZOBQVKQZGUIER-LLVKDONJSA-N 281.153 2.786 30 40 CFEB Cc1cccc(C2CC(=O)C(=C3NCCS3)C(=O)C2)c1 20800948 YHRFUPOZSOKUOI-UHFFFAOYSA-N 287.384 2.559 30 40 CFEB N#CC1(NC(=O)CCC2CCCCC2)CCOCC1 71908930 VOYAKYOHJQUTIG-UHFFFAOYSA-N 264.369 2.536 30 40 CFEB Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)no1 9833816 YMFIJCJIEOTSHB-UHFFFAOYSA-N 287.344 2.727 30 40 CFEB Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C#N)cc2)o1 84195337 REBHGAAKPDJGMN-HNNXBMFYSA-N 296.326 2.673 30 40 CFEB C=CCN(Cc1c[nH]c(C(=O)OC)c1)c1ccccc1 97105361 GNITXPVLBMIORH-UHFFFAOYSA-N 270.332 2.994 30 40 CFEB O=[N+]([O-])c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1O 25667710 MERBIIIKTPYQQH-RIYZIHGNSA-N 287.231 2.959 30 40 CFEB CNC(=O)[C@H](C#N)C(=O)CC1CCC(c2ccccc2)CC1 78715047 ULJUPPWZRONDLC-AVVWSFFYSA-N 298.386 2.805 30 40 CFEB N#Cc1ccc(N2CCC(Cc3ccccn3)CC2)cn1 193569689 UKUQBPZRFFOGAU-UHFFFAOYSA-N 278.359 2.807 30 40 CFEB CCN(CC)C(=O)/C=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 4266241 ULDRIUWGHBQBBL-HEKRFONRSA-N 263.381 2.806 30 40 CFEB COc1ccc(O)c(/C(Cc2ccccc2)=N/O)c1 16215185 RBMDDCJXGWZDLT-JQIJEIRASA-N 257.289 2.822 30 40 CFEB Cn1nc(C(=O)NCC2(C#N)CCCCC2)c2ccccc21 529515036 CDHATNSKMLGSRR-UHFFFAOYSA-N 296.374 2.777 30 40 CFEB C/C(=N\OCC(=O)N1CCCC1)c1cc2ccccc2o1 6052339 IPVWNRYIZWGUJD-SFQUDFHCSA-N 286.331 2.796 30 40 CFEB O=C1CCCC2=C1C(=O)C[C@H]1c3ccccc3CCN21 518970 DUGPXYUBYPNCEU-AWEZNQCLSA-N 267.328 2.566 30 40 CFEB biogenic N#Cc1ccc(N2CC[C@@H](CCO)C2)cc1C(F)(F)F 78366291 QKYYSCMPCRZYKM-JTQLQIEISA-N 284.281 2.786 30 40 CFEB COc1ccc(CCN2C=CC(C#N)C=C2)cc1OC 1581821 ZQWSLNWXYWTNJY-UHFFFAOYSA-N 270.332 2.729 30 40 CFEB C=CCN1C(=O)N[C@@H](c2ccccc2)C(C(C)=O)=C1C 6604123 DJZKFXBBLMPLBO-HNNXBMFYSA-N 270.332 2.802 30 40 CFEB C=CCO/N=C(\CC)C1C(=O)CC(C)(C)CC1=O 102442926 MVDJELGMJQXIJC-XNTDXEJSSA-N 251.326 2.529 30 40 CFEB CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl 13123618 RCUGICUPGGIZDM-CYBMUJFWSA-N 288.738 2.809 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c1ccccc1 6634167 LQOWAPAUEFCXJS-AWEZNQCLSA-N 286.400 2.849 30 40 CFEB C=CCNC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C 69202011 KYRGGGDVOJTFAO-GFCCVEGCSA-N 289.379 2.831 30 40 CFEB N#Cc1cccnc1Oc1cncc(Br)c1 70486696 JMQDABFWPVDRST-UHFFFAOYSA-N 276.093 2.903 30 40 CFEB C#CC[C@@H](C)OC(=O)c1cc(N(C)C)nc2ccccc12 95942895 ICXFOPHIXXCBKV-GFCCVEGCSA-N 282.343 2.869 30 40 CFEB CC(C)(C)C(=O)NCCNc1cc(C#N)c2ccccc2n1 76063829 LBZGHKZCJBGHKN-UHFFFAOYSA-N 296.374 2.681 30 40 CFEB N#CC1(C(=O)NCCCSc2nccs2)CCCC1 74136179 KOELFXUJNCLOJE-UHFFFAOYSA-N 295.433 2.825 30 40 CFEB C#CC[C@H](OC(=O)c1cnn(C(C)(C)C)c1)C1CC1 96456367 ZSSCRAOKIYPLDA-ZDUSSCGKSA-N 260.337 2.597 30 40 CFEB CC(C)c1nc(O)nc(-c2ccc(F)cc2)c1C#N 95829994 GJVBQMULPHKTIH-UHFFFAOYSA-N 257.268 2.983 30 40 CFEB N#Cc1ccsc1C(=O)Oc1ccc2cn[nH]c2c1 79064957 YTWDORYITCKYKA-UHFFFAOYSA-N 269.285 2.715 30 40 CFEB CO[C@@H]1CCCCC[C@H]1NC(=O)C1(C#N)CCCC1 96460193 MKIIPDFJQYHTIG-CHWSQXEVSA-N 264.369 2.534 30 40 CFEB O=C(O)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O 12375393 VWCWFOWOKCGIHW-OVCLIPMQSA-N 286.243 2.749 30 40 CFEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccccc1 16487764 HCMISRTZJAWJJZ-UHFFFAOYSA-N 286.356 2.796 30 40 CFEB CCn1nc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1C 5557315 MIBGJHLSTYPBDA-OVCLIPMQSA-N 288.307 2.884 30 40 CFEB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(C#N)cc1 6291369 XBZDKQAINJAUKP-OCCSQVGLSA-N 298.342 2.785 30 40 CFEB COc1ccc(C(=O)COc2ccccc2C#N)cc1 552754 YTWLDSXEGKOPEF-UHFFFAOYSA-N 267.284 2.829 30 40 CFEB CC[C@H]1CCCCN1C(=S)N/N=C(\C)c1ccccn1 17125310 MZACWVULBYILQW-VLURKWGBSA-N 290.436 2.945 30 40 CFEB C=CCN1C(=S)SC(=O)/C1=C/c1ccccc1O 101246181 HSZMGAIHGNZBRS-NTMALXAHSA-N 277.370 2.779 30 40 CFEB CN1CCC(=NOC(=O)c2ccc(Cl)cc2)CC1 235774 IVUMWYRSDKUVLY-UHFFFAOYSA-N 266.728 2.578 30 40 CFEB N#Cc1ccc(CN2CCC(CN3CCCC3)CC2)cc1 47970977 SHOUUPDAMOFIBQ-UHFFFAOYSA-N 283.419 2.866 30 40 CFEB C=C(C)C(=O)OCCO[C@H]1C[C@@H]2C[C@@H]1[C@H]1CC=C[C@H]21 100070916 HZCOEAIFIFURAN-ZQNQSHIBSA-N 262.349 2.723 30 40 CFEB CCN(CC#N)C(=O)c1ccc(F)c(Cl)c1F 97137355 DWGFJOPCIUENTJ-UHFFFAOYSA-N 258.655 2.604 30 40 CFEB C=CCN(Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCC1 71792420 WDUWHSVKIKKGRW-UHFFFAOYSA-N 278.356 2.796 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(Cl)cc1F 15292044 AGJZBADGWMBUMJ-AWEZNQCLSA-N 297.761 2.945 30 40 CFEB CN(C(=O)c1ccc(O)c(Cl)c1)C1(C#N)CCC1 97237034 ZEMVHLSRAFOWOZ-UHFFFAOYSA-N 264.712 2.564 30 40 CFEB COc1ccccc1C(=O)N[C@@H](C#N)c1ccsc1 97229984 NYTSZPFBEQCOLX-LBPRGKRZSA-N 272.329 2.751 30 40 CFEB N#Cc1ccc(NCc2cccnc2N2CCCCC2)nc1 71832800 BOMOCLBLHAZGIP-UHFFFAOYSA-N 293.374 2.951 30 40 CFEB CC[C@H](CO)Nc1ncc2cc3ccccc3nc2c1C#N 19933379 WWYWHTMRLGRJDM-CYBMUJFWSA-N 292.342 2.837 30 40 CFEB CC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 97036394 VNNMSPLHUYARAT-UHFFFAOYSA-N 261.300 2.961 30 40 CFEB C=CCNC(=O)Nc1ccc2nc(C)c(C)nc2c1 217302095 ULPBXFCWGWOAEC-UHFFFAOYSA-N 256.309 2.554 30 40 CFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(O)CC1 252482493 DGWPEGSSIXHNFL-UHFFFAOYSA-N 298.386 2.624 30 40 CFEB C=C1CCC=C(C(=O)O)C[C@H](O)[C@H]2[C@@H]1CC2(C)C 299753955 LMJMJHGFJXZGDE-FRRDWIJNSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1Cl 36874878 JBAVNQXTLUTFDJ-CQSZACIVSA-N 279.771 2.806 30 40 CFEB C=C(C)CN(CC)C(=O)c1[nH]nc(C)c1Br 49033249 YBQNCEQSJBCDLL-UHFFFAOYSA-N 286.173 2.519 30 40 CFEB CC1(C)OB(c2cnccc2NC2CCCC2)OC1(C)C 206103705 KVLOTTZMTVNNFB-UHFFFAOYSA-N 288.200 2.735 30 40 CFEB CCNC(=NCc1cccc(-c2ccccn2)c1)NCC 158578999 LZKAVFPCPUNBGG-UHFFFAOYSA-N 282.391 2.824 30 40 CFEB CN(C)C(=O)[C@@H](Oc1cccc(C#N)c1)c1ccccc1 6846896 ZUPATTWDPRPUPI-INIZCTEOSA-N 280.327 2.767 30 40 CFEB N#Cc1ccccc1OCCN1CCc2ccccc2C1 22385704 VQHRAZZTMKMCLA-UHFFFAOYSA-N 278.355 2.995 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCCCC2)cc1C 103502495 XMIUAAKJSOEOJD-HNNXBMFYSA-N 284.359 2.638 30 40 CFEB N#Cc1cc(N[C@H]2CCC[C@H]2CO)nc2ccccc12 78364443 LLALEJKJEVCLAP-FZMZJTMJSA-N 267.332 2.679 30 40 CFEB CSc1nnc(C(F)F)n1/N=C/c1ccccc1F 2789509 HHMHGSYFPQRICY-GIDUJCDVSA-N 286.282 2.959 30 40 CFEB CCn1cc(C(=O)/C=C/c2ccc(C#N)cc2)cn1 49274839 BVKDAFJTTKNOTF-BQYQJAHWSA-N 251.289 2.671 30 40 CFEB C[C@@H]1Oc2ccccc2CN(c2ccc(C#N)cc2)C1=O 64542451 IZPAXYBPLDAMNE-LBPRGKRZSA-N 278.311 2.872 30 40 CFEB C=CCNC(=S)N/N=C1\CCCc2c(C)cc(C)cc21 5415263 ZBUNFKZCCVDWJF-OBGWFSINSA-N 287.432 2.994 30 40 CFEB C[C@@](C#N)(NC(=O)c1cc(F)c(F)c(F)c1)C1CC1 98009598 IKEFNVRRBKNKHC-ZDUSSCGKSA-N 268.238 2.526 30 40 CFEB CC1=C(C)/C(=N\OC(=O)c2ccccc2)C=CC1=O 33293736 FPLUTIUGLCMRJL-SSZFMOIBSA-N 255.273 2.675 30 40 CFEB COc1ccc(CCN(C)c2ncccc2C#N)cc1 1166824257 FXIPSCINOJCXIW-UHFFFAOYSA-N 267.332 2.641 30 40 CFEB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CC#N 132722741 CCZGFTSLIKLDDJ-GFCCVEGCSA-N 274.364 2.781 30 40 CFEB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)cc1C#N 225817320 JSRPHJXONGQUOG-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB C=CCNC(=O)c1ccc(OCC)c(COC(C)C)c1 224713120 UMQMFCOUMABWMT-UHFFFAOYSA-N 277.364 2.926 30 40 CFEB Cc1cc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n[nH]1 89599056 ZANCZXDJKLAARO-MRXNPFEDSA-N 280.375 2.969 30 40 CFEB COc1ccc(/C=C\C(=O)c2sc(N)nc2C)cc1 5732359 XIOMLHYWUDUONW-YVMONPNESA-N 274.345 2.938 30 40 CFEB CCOC(=O)/C(C#N)=N/Nc1cccc(Cl)c1Cl 1720606 PGIMPLVWZGUBOQ-CXUHLZMHSA-N 286.118 2.848 30 40 CFEB CN(C)/N=C/c1ccc(OC(=O)c2ccccc2)cc1 50150 ZXFAIWIDFQGRFY-SFQUDFHCSA-N 268.316 2.801 30 40 CFEB COc1ccccc1/N=C1/C(=O)Nc2ccccc21 15773552 XPSLHXXSARQIJF-UHFFFAOYSA-N 252.273 2.768 30 40 CFEB Cc1cccc(CNC(=O)CNc2ccc(C#N)cc2)c1 50028537 ZRQGBIUFBXRQAQ-UHFFFAOYSA-N 279.343 2.595 30 40 CFEB C[C@H](CNc1ncccc1C#N)N1CCc2sccc2C1 40511151 GRAMBSIKOAMRMJ-GFCCVEGCSA-N 298.415 2.873 30 40 CFEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 23272989 YOOHNCDAVZHNQG-RIYZIHGNSA-N 258.281 2.986 30 40 CFEB COc1cc(/C=N/Nc2ccccc2)cc(OC)c1O 4922036 CGXOEUYFHMLBLH-MHWRWJLKSA-N 272.304 2.855 30 40 CFEB CCCCOc1ccc(/C=N/n2cnnc2)cc1OCC 1789209 TWTNAODNGHMXEL-VCHYOVAHSA-N 288.351 2.738 30 40 CFEB CCN(CCC#N)CN1C(=O)c2cccc3cccc1c23 58244178 TUXSDZKETXCWPM-UHFFFAOYSA-N 279.343 2.993 30 40 CFEB CCn1c(CN(C)c2ncccc2C#N)nc2ccccc21 58201872 DAZADQLXCZEZHN-UHFFFAOYSA-N 291.358 2.959 30 40 CFEB C=CCn1c(N)nnc1SCc1cccc2cccnc12 45023313 JVHKGFFCZQIBPR-UHFFFAOYSA-N 297.387 2.887 30 40 CFEB N#Cc1cccc(NC(=O)CCSc2nncs2)c1 19847673 SQQMJZPJKRBXSQ-UHFFFAOYSA-N 290.373 2.531 30 40 CFEB N#CC1(NC(=O)CNc2ccc(F)c(Cl)c2)CCCC1 15291828 FUVSRKXXLFZCJL-UHFFFAOYSA-N 295.745 2.844 30 40 CFEB N#Cc1ccsc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 9535262 WJHKPOSCZBKKCH-LBPRGKRZSA-N 298.323 2.860 30 40 CFEB Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2)cc1 409007872 QXMJRGYGFYTZEB-YVLHZVERSA-N 284.315 2.821 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 95951639 WROCZTWNFIDYIA-JTQLQIEISA-N 290.323 2.917 30 40 CFEB C#CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1 409105435 JJBFGDVTTRELLP-JLHYYAGUSA-N 287.340 2.755 30 40 CFEB COc1cc(C(C)=O)ccc1[S@](=O)CCC(C)(C)C#N 123548449 UFKFYHXVWPKXQC-FQEVSTJZSA-N 293.388 2.945 30 40 CFEB CCn1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cn1 71784830 ASLVRAOHFHMRPR-BQYQJAHWSA-N 294.310 2.906 30 40 CFEB CCO/C=N/Nc1oc(-c2ccccc2)nc1C(=O)OC 72427631 SLXHVPLNGQLFMN-OQLLNIDSSA-N 289.291 2.520 30 40 CFEB C[C@H]1CN(c2ccc(C#N)nc2)C[C@@H](c2ccsc2)O1 195539213 IBDFESGSBQPQNI-NHYWBVRUSA-N 285.372 2.981 30 40 CFEB Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCCCC3)cc21 85346152 OIZXWSRLCSXOAQ-UHFFFAOYSA-N 299.349 2.930 30 40 CFEB C=CCC[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1 97113347 KRTCNXYCBBAUKV-LLVKDONJSA-N 268.382 2.825 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(Cl)c1 30285500 RQARBRUVIGRNJU-AWEZNQCLSA-N 279.771 2.806 30 40 CFEB CN1[C@@H]2CC[C@@H]1/C(=C/c1ccc[nH]1)C(=O)/C2=C\c1ccc[nH]1 103658300 UTIVJFPJRPAEBG-BRVJIGPSSA-N 293.370 2.855 30 40 CFEB CN(CC(=O)NCCC#N)C1CCC(c2ccccc2)CC1 58440595 OADJGIXNSJFTEP-UHFFFAOYSA-N 299.418 2.674 30 40 CFEB N#CCc1cc(-c2ccc(Br)cc2)[nH]n1 4473150 LONGYNYRAPHNDS-UHFFFAOYSA-N 262.110 2.905 30 40 CFEB C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccccc1C#N 7937954 XOUJTODXFNBRCQ-STQMWFEESA-N 298.342 2.785 30 40 CFEB N#CCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 20735894 YFBXTRPKXZZLKL-OBGWFSINSA-N 282.299 2.716 30 40 CFEB CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CO1 72208018 VUZWNBKWDQMESA-SMDDNHRTSA-N 255.358 2.955 30 40 CFEB Cc1cc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n[nH]1 78901035 YBPVLYTVLCBJPV-MRXNPFEDSA-N 280.375 2.969 30 40 CFEB N#Cc1cnn2c(C(F)(F)F)cc(-c3cccnc3)nc12 66089467 MFDQCOACDNQIAO-UHFFFAOYSA-N 289.220 2.682 30 40 CFEB Cc1cc([N+](=O)[O-])ccc1C(=O)OCC1(CC#N)CC1 96442773 IBXUWDNWQNCHGA-UHFFFAOYSA-N 274.276 2.754 30 40 CFEB CO[C@H]1CS/C(=N\c2ccc(C)cc2C)N1C 255188695 KXAFQCCQWGHQDL-JOLOJFPGSA-N 250.367 2.942 30 40 CFEB CC1(C)OB(c2cc(F)c(Cl)c3[nH]ncc23)OC1(C)C 204646502 RAKAGINEVLTXFX-UHFFFAOYSA-N 296.538 2.655 30 40 CFEB C=C1CCC(NS(=O)(=O)c2ccccc2OCC)CC1 618255891 AFBWGTMFHQVUNW-UHFFFAOYSA-N 295.404 2.862 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C\c2ccccc2C)cc1 5179854 WBNXGRRFYWWFBO-WJDWOHSUSA-N 288.372 2.616 30 40 CFEB O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)Nc1nonc1N2 12389402 XHKCYSLHXHASQQ-NOZJJQNGSA-N 286.335 2.639 30 40 CFEB CN(C)c1ccc(CNCc2cccc(C#N)c2)cc1 11093498 DKTYUZVPEVMCEJ-UHFFFAOYSA-N 265.360 2.914 30 40 CFEB Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O 1585099 RNKIEKMNTLGKQT-UHFFFAOYSA-N 287.322 2.986 30 40 CFEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[n+]1ccccc1)C2 100726231 VWPNXOAXLXWARP-ZQIUZPCESA-N 274.384 2.732 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(C)cc(C)c2)C(=O)O1 102500623 RNMFNJCMYYZCPP-APHBUQMISA-N 284.311 2.532 30 40 CFEB CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O 1579310 QZNATRWVQKQCCC-NSHDSACASA-N 275.414 2.669 30 40 CFEB CCCCOC(=O)[C@@H](C)OC(=O)Nc1cccc(C#N)c1 2044343 NKMHAKQSPJFMKF-LLVKDONJSA-N 290.319 2.839 30 40 CFEB CC(/C=N/N=c1/ccc([N+](=O)[O-])c[nH]1)=C\c1ccccc1 4721875 QWRVHDRWRVWUEQ-GRALHKOYSA-N 282.303 2.913 30 40 CFEB CCOC(=O)c1csc2c1CCC/C2=N/OC(C)=O 4866254 CUJUVTCKQJBYHK-KAMYIIQDSA-N 281.333 2.528 30 40 CFEB O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)F 3160310 RFDBRCLZQHTHOU-UHFFFAOYSA-N 296.167 2.915 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc(C(=O)O)cc2)C(=O)C1 100751355 MVRIALDRRVCPHV-UHFFFAOYSA-N 287.315 2.639 30 40 CFEB CN(C(=O)Cc1coc(-c2ccccc2)n1)C1(C#N)CCC1 58403310 UUZLFSIBQIVLPU-UHFFFAOYSA-N 295.342 2.789 30 40 CFEB Cc1ccsc1/C=N/n1c(S)nnc1C(F)F 2789455 JGKSXSGRPSWKBC-UUILKARUSA-N 274.321 2.757 30 40 CFEB C[C@H](Oc1cccc(C(=O)/C=C/c2cccnc2)c1)C(=O)O 62692820 KPSHSPSSUDWAJL-GUOLPTJISA-N 297.310 2.830 30 40 CFEB Cc1ccc(C)c2c1OC/C(=C\c1csnn1)C2=O 48985930 DSVRGPBKBSPJKY-BJMVGYQFSA-N 272.329 2.814 30 40 CFEB COc1ncccc1C(=O)OCC1(C#N)CCCCC1 96003061 XFNCGEOHKZXKNS-UHFFFAOYSA-N 274.320 2.721 30 40 CFEB N#Cc1cc(F)ccc1CN1CC[C@H](Oc2ccncc2)C1 95428219 AFSOWPPIURTCGE-KRWDZBQOSA-N 297.333 2.746 30 40 CFEB C=CCOc1cccc(N(C)C(=O)C(F)(F)F)c1 216874536 OLMAVOQFEJXONX-UHFFFAOYSA-N 259.227 2.777 30 40 CFEB CC[C@@H](C)n1nc(OCc2ccccc2)c(C#N)c1N 225833388 DDFJJAONNLJDBF-LLVKDONJSA-N 270.336 2.887 30 40 CFEB CCC1(CC)CC(=O)N(CC2(C#N)CCC2)C(=O)C1 331997294 QIMBPGQSAPGUBB-UHFFFAOYSA-N 262.353 2.636 30 40 CFEB Cc1ccccc1CC1CN(c2ncccc2C#N)C1 95412187 TZLGPECWHGFQNE-UHFFFAOYSA-N 263.344 2.941 30 40 CFEB COc1cc(N/C=C\C(=O)C(F)(F)F)cc(OC)c1 95932534 ZCMWXBUBYGDVKO-ARJAWSKDSA-N 275.226 2.761 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C(=O)O1 21475699 XUCGYWMEZZRXCD-GBXSZLQWSA-N 290.702 2.568 30 40 CFEB N#C[C@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1 103504201 GKBPXVKWTYBNMG-MRXNPFEDSA-N 292.338 2.967 30 40 CFEB C=C1C=CN(C(C)=O)[C@@H](OC(C)=O)[C@@H]1SC(C)(C)C 1755400 LSIDFOQNYZCLGQ-OLZOCXBDSA-N 283.393 2.708 30 40 CFEB N#Cc1ccc(NCCCn2cnc3ccccc32)nc1 24841903 QPKDGBZCHAURFX-UHFFFAOYSA-N 277.331 2.805 30 40 CFEB C#Cc1cccc(NC(=O)NCc2nc(C)cs2)c1 43984414 SAWLIDGPEQMEIH-UHFFFAOYSA-N 271.345 2.755 30 40 CFEB NC1=C(c2ccccc2)C(=O)[C@@H]2CCc3ccccc3N12 3213616 GWKBAVPKPICPGO-HNNXBMFYSA-N 276.339 2.718 30 40 CFEB CCCn1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1=O 58065525 IFZZZMPQRMCFHM-UHFFFAOYSA-N 296.330 2.774 30 40 CFEB COC(=O)C(C)(C)C(C)(C)NCc1ccc(F)c(C#N)c1 95424501 WROPADGRRVRXQM-UHFFFAOYSA-N 292.354 2.765 30 40 CFEB C[C@@H](SCC(=O)NCCC#N)c1ccc(F)cc1 49462576 NOEKNZRGWOZDML-SNVBAGLBSA-N 266.341 2.650 30 40 CFEB C=CCc1c(C)nn(CC(=O)O)c1-c1ccccc1 4296098 MLRAUNRZNDRJPF-UHFFFAOYSA-N 256.305 2.672 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1cc2ccc(OCC)cc2[nH]1 69438181 UQGSBZMGXPWDHQ-LBPRGKRZSA-N 285.347 2.989 30 40 CFEB CC(C)(C#N)CCCOc1cccc2c1NC(=O)CO2 91599918 QEFCTNVQDSFRES-UHFFFAOYSA-N 274.320 2.726 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCc2ccccc2C#N)c1 71882183 GICKSQYWRBHOLY-ZIAGYGMSSA-N 268.364 2.803 30 40 CFEB C[C@@](C#N)(NC(=O)CSc1ccc(F)cc1F)C1CC1 7921380 MPVRSDQRVABFTM-AWEZNQCLSA-N 296.342 2.865 30 40 CFEB C#CC[C@@H](OC(=O)c1cccc2cn[nH]c12)c1ccccn1 73294742 PBEHTXADWCRRDS-OAHLLOKOSA-N 291.310 2.879 30 40 CFEB Cc1ccc(C#N)cc1OCCO[C@@H]1CCCCO1 194718403 SIWUOVWEDYJPHB-OAHLLOKOSA-N 261.321 2.789 30 40 CFEB C=CCN1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257292188 QKKMPFMINUJYOA-KRWDZBQOSA-N 286.419 2.932 30 40 CFEB N#Cc1cc(F)ccc1COc1cccc(F)c1C(N)=O 97115402 VOEZQAYXULRFKA-UHFFFAOYSA-N 288.253 2.514 30 40 CFEB CN(c1ncnc2c1cnn2CCC#N)C1CCCCC1 97200228 MBLNWQHRJKHVEK-UHFFFAOYSA-N 284.367 2.509 30 40 CFEB Nc1nnc(S[C@@H]2CCCCCC/C2=N/O)s1 5612823 SSKHKBGEKZHAPB-BNUBCSQOSA-N 272.399 2.765 30 40 CFEB CCCCCCCNC(=O)CCNC(=O)c1ccccc1 102787312 UPMPCPYOLXVHEJ-UHFFFAOYSA-N 290.407 2.893 30 40 CFEB Cc1ccc(S(=O)(=O)OC[C@]2(C)CCCCC2=O)cc1 4972415 RIJHMWFBDNMAFI-HNNXBMFYSA-N 296.388 2.850 30 40 CFEB N#Cc1cccnc1NCCc1ccn(-c2ccccc2)n1 58407178 MEBIZZGNUPHIDR-UHFFFAOYSA-N 289.342 2.794 30 40 CFEB CC(C)[C@H](Sc1ccccc1)/C(O)=N/S(C)(=O)=O 66229795 UFPULJUQZZCSHC-NSHDSACASA-N 287.406 2.719 30 40 CFEB COc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1OC(C)C 97138133 DIDYSTIWBJYRGA-UHFFFAOYSA-N 299.330 2.934 30 40 CFEB C=CCN(CC=C)C(=O)c1ccc(-c2nc(C)no2)cc1 69415420 WMTNZHPOLHMLCO-UHFFFAOYSA-N 283.331 2.859 30 40 CFEB C=C(C)[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 55231620 ABKDBHRAGTZDQX-MSOLQXFVSA-N 284.403 2.939 30 40 CFEB biogenic C/N=C1/S/C(=C\C=C\c2ccccc2)C(=O)N1C 408847484 NEOXGFVBZGFTJA-BXXFFCHUSA-N 258.346 2.775 30 40 CFEB C=CCNC(=O)CSc1nc2c(C)cccc2cc1C#N 35313069 VWXYPWCZQSGZMC-UHFFFAOYSA-N 297.383 2.809 30 40 CFEB COCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 187677563 CSUCDYQDIJOWFI-ZDUSSCGKSA-N 258.365 2.978 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Oc1ccc2c(c1)CCC2 33047618 XBOTUKUGQDIFJQ-UHFFFAOYSA-N 299.351 2.815 30 40 CFEB Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1C(=O)O 44749842 HSXJUYRQZOTBBQ-UHFFFAOYSA-N 280.283 2.817 30 40 CFEB Cc1nn(-c2cccc(Cl)c2Cl)c(N)c1C#N 82317682 BKNBNBMRHSAJTG-UHFFFAOYSA-N 267.119 2.941 30 40 CFEB C/N=C(/NCc1cc2ccccc2o1)N1CCCC1 72270960 IJGWATXKJUNIMB-UHFFFAOYSA-N 257.337 2.604 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](COc3ccncc3)C2)nc1 1776001999 XNVHSQTZJZFVKP-OAHLLOKOSA-N 294.358 2.644 30 40 CFEB FC(F)(F)C(F)(CCOC[C@@H]1CO1)C(F)(F)F 1083807031 SDUUNLMLPAETLJ-RXMQYKEDSA-N 270.144 2.625 30 40 CFEB Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 203832786 URSNZAWXXUNYQG-UHFFFAOYSA-N 254.085 2.572 30 40 CFEB NS(=O)(=O)c1ccc(/N=C/c2cccc(Cl)c2)cc1 11566407 SEOJMVZSSKISSD-CXUHLZMHSA-N 294.763 2.738 30 40 CFEB C=C1C(=O)O[C@@H]2[C@@H]1CCC(=C)[C@@H]1C[C@@H](OC(C)=O)C(=C)[C@@H]12 229770359 GKMFOEIZCLMZDE-DGADGQDISA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 78199389 DYJNIUWJUXNOOR-UHFFFAOYSA-N 282.077 2.785 30 40 CFEB in-vitro C#CCNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 22609980 OHTOZLVVBFIMBU-UHFFFAOYSA-N 292.338 2.551 30 40 CFEB COc1cccc([C@@H]2CCCC[C@H]2OS(C)(=O)=O)c1 1706493 YUAOBYZCIKFUID-UONOGXRCSA-N 284.377 2.698 30 40 CFEB COc1ccc(OC)c(CNc2ccc(C#N)cn2)c1 24212334 DXHRTFGNFHFIQM-UHFFFAOYSA-N 269.304 2.583 30 40 CFEB C=CCCO[C@H](C)C(=O)NCc1ccc(Cl)cc1 57985388 BDDNOGKQQSPDOV-LLVKDONJSA-N 267.756 2.937 30 40 CFEB N#CCCNC(=O)CSC1=Nc2ccccc2CS1 12776919 VAAMWCGGYMQQPT-UHFFFAOYSA-N 291.401 2.684 30 40 CFEB CC(C)Oc1ccc(CNC(=O)c2ccc(C#N)cc2)cn1 48331547 HKYWEDXFIHQKOE-UHFFFAOYSA-N 295.342 2.670 30 40 CFEB Cc1ccc(NC(=O)COc2ccccc2C#N)c(C)c1O 48332146 JMSNQQGBRKMMRF-UHFFFAOYSA-N 296.326 2.898 30 40 CFEB CC(C)(C)CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 48541020 RXPFWENXLBQVHP-LBPRGKRZSA-N 264.369 2.580 30 40 CFEB CC(=O)c1sc(N/N=C/c2ccccc2O)nc1C 13556750 BQWRFFPRJSNFCX-VGOFMYFVSA-N 275.333 2.806 30 40 CFEB COc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)ccc1O 4921255 WABUJITWPCCCPI-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB CC1CCN(C(=O)COc2ccc(C#N)cc2Cl)CC1 7856301 ZILQQODEIGBSQJ-UHFFFAOYSA-N 292.766 2.849 30 40 CFEB Cc1occc1C(=O)OCCOc1ccc(C#N)cc1 17276472 ATDGESNTHHPLOV-UHFFFAOYSA-N 271.272 2.696 30 40 CFEB C[C@H](CNc1ncc(C#N)cc1Cl)CC1(C)OCCO1 71920604 HHGZIWISZQROSN-JTQLQIEISA-N 295.770 2.808 30 40 CFEB CC1CCC2(CC1)NC(=O)N(/N=C/[C@@H]1CC=CCC1)C2=O 8521537 DAJKSMSFVGLMGQ-FSTKVTBBSA-N 289.379 2.829 30 40 CFEB N#Cc1cccc(NC(=O)c2cc(-c3cccnc3)[nH]n2)c1 74630104 CTEHMITXXKEHTJ-UHFFFAOYSA-N 289.298 2.596 30 40 CFEB CC1(C)OB(c2c(Cl)ccc(F)c2F)OC1(C)C 306396230 HFQQULQLTDSDRG-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB CCSc1nncn1/N=C/c1ccc(OC(F)F)cc1 36611481 RWENEFOYSWNQRA-FRKPEAEDSA-N 298.318 2.874 30 40 CFEB C[C@@H](/C(=N/O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96524499 HFNPJWRFHXECQW-GYBUZWCQSA-N 296.175 2.605 30 40 CFEB N#Cc1cccnc1NCCNc1ccncc1Cl 96454005 YZBBFMKGANSXRH-UHFFFAOYSA-N 273.727 2.526 30 40 CFEB Fc1cc(F)cc(C#CCO[C@@H]2CCCCO2)c1 95631910 UFWLRRVFAHHJBL-CQSZACIVSA-N 252.260 2.860 30 40 CFEB C=CC/N=C(/c1ccc(Cl)cc1)N1CCN(C)CC1 255189695 RLMMYZNNENUMFV-ICFOKQHNSA-N 277.799 2.520 30 40 CFEB COc1ccc(OC)c(C#C[C@](C)(O)c2ccccc2)c1 95632970 XKSZIYVPDSVLFP-SFHVURJKSA-N 282.339 2.963 30 40 CFEB O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1O 5277875 PSYVAIWGYVDYHN-FNORWQNLSA-N 256.257 2.700 30 40 CFEB Oc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 16449122 WPPYOODXRLUZOK-QGOAFFKASA-N 282.343 2.979 30 40 CFEB CN(C)c1ccc(/[N+]([O-])=C/c2ccccc2[N+](=O)[O-])cc1 4235555 IKNFHMHDURQCKV-BOPFTXTBSA-N 285.303 2.922 30 40 CFEB C#Cc1cccc(NCc2cc(=O)n3cc(C)ccc3n2)c1 12521670 YBPJWFWFGWFTPT-UHFFFAOYSA-N 289.338 2.596 30 40 CFEB O=C1/C(=C\NN2CCCCC2)Sc2ccccc21 102419792 NANYUYLKWKVNNN-JLHYYAGUSA-N 260.362 2.807 30 40 CFEB N#CCCCSc1nnc(NC[C@@H]2CCCO2)s1 58304900 QWBMJSKAUAZBOZ-VIFPVBQESA-N 284.410 2.525 30 40 CFEB CCO/C=N/c1nc2c(cc1C#N)COC(C)(C)C2 2290432 HPHAOTMXKMKXAZ-CXUHLZMHSA-N 259.309 2.501 30 40 CFEB C(=N\n1cnnc1N/N=C/c1ccccc1)\c1ccccc1 28632207 UDHCLLRXVBYLBT-YUQALFBESA-N 290.330 2.606 30 40 CFEB COc1ccnc(Nc2ccc([N+](=O)[O-])cc2)c1C#N 4002356 QZPRJEOAPHJCDS-UHFFFAOYSA-N 270.248 2.614 30 40 CFEB CCNc1oc(COc2ccc(F)cc2)nc1C#N 4268586 XTIDTHQQOPBGFT-UHFFFAOYSA-N 261.256 2.696 30 40 CFEB C=C(Cl)CN1CCN(c2cccc(OC)c2)CC1 65549858 PWDAGVLTHJIEQM-UHFFFAOYSA-N 266.772 2.570 30 40 CFEB CCN(/C=N/c1c(C#N)cnn1-c1ccccc1)CC 4741197 YHALSZPWCZBTIH-SFQUDFHCSA-N 267.336 2.746 30 40 CFEB CCCCc1nc(N2CCNCC2)c(C#N)c2c1CCCC2 6764293 FCAJVGDVMQYVBR-UHFFFAOYSA-N 298.434 2.584 30 40 CFEB N#CCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1 8130507 BERDWHKLODNDKH-UHFFFAOYSA-N 277.283 2.713 30 40 CFEB C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C)n[nH]1 97162475 SIMHHVFZCDIFPL-UHFFFAOYSA-N 287.319 2.544 30 40 CFEB CCC(NC(=O)OCCC#N)(C(F)(F)F)C(F)(F)F 3189047 DBDNDMNDHFRTGI-UHFFFAOYSA-N 292.179 2.900 30 40 CFEB biogenic Cn1nc(OCc2cccc3ccccc23)c(C#N)c1N 225829631 AOQRHQLWZHXKFP-UHFFFAOYSA-N 278.315 2.606 30 40 CFEB Cc1ccccc1-c1c(S(C)(=O)=O)sc(N)c1C#N 96532108 QDWIKVMFDIMGGU-UHFFFAOYSA-N 292.385 2.581 30 40 CFEB Cc1cc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)no1 73455031 AJOJFQSMGJFWII-ZDUSSCGKSA-N 289.722 2.560 30 40 CFEB CC[C@@H](NC(=O)c1cccc(CC#N)c1)C1CCOCC1 74410991 WSRXXGXBNURJOV-MRXNPFEDSA-N 286.375 2.688 30 40 CFEB CC/N=C(\NCC)NCc1ccc(F)c(Cl)c1 66245200 BKSDHCXKDGEEQV-UHFFFAOYSA-N 257.740 2.554 30 40 CFEB CCOC(=O)[C@@H](C#N)c1cc(OC)ccc1Br 1776010812 NMTUZDZBWRVVBT-JTQLQIEISA-N 298.136 2.628 30 40 CFEB Cc1ccc(/C=C2\C(=O)Nc3ncccc3C2=O)cc1 5745182 TVXIYEGOPKWFDQ-LCYFTJDESA-N 264.284 2.608 30 40 CFEB Cc1cccc(N2CCN(c3ncccc3C#N)CC2)c1C 12991102 WPBBXWIVPFJEBP-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB C=CCN(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 154293229 GAFOYFAJTFLLJP-UHFFFAOYSA-N 290.363 2.520 30 40 CFEB CCc1nc(N)c(C#N)c(-c2ccc3c(c2)OCO3)c1C 19095760 ZUJNADUWEOMOCQ-UHFFFAOYSA-N 281.315 2.802 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 5260175 VMNVUUOZLUTUCX-UHFFFAOYSA-N 272.329 2.668 30 40 CFEB CN1C/C(=N/O)C(=O)C(C)(C)[C@@H]1c1ccc(Cl)cc1 19926483 CGCKJOWMULNGNN-IEMQHYRPSA-N 280.755 2.752 30 40 CFEB Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(N(C)C)cc1 40549502 IZIXUOSECFUFJJ-MDZDMXLPSA-N 269.348 2.989 30 40 CFEB C=CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O 345945 BMWQPSRMAANLHQ-UHFFFAOYSA-N 256.305 2.523 30 40 CFEB C[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 3445503 FCCZQKZWODFKEF-CYBMUJFWSA-N 280.327 2.814 30 40 CFEB Cc1cc(NC(=O)[C@@H](C)Sc2ccc(C#N)cc2)on1 65607816 PMIMCCHHPGEYDB-SNVBAGLBSA-N 287.344 2.974 30 40 CFEB c1ccc2c(c1)[nH]c1nc(NN=C3CCCC3)nnc12 6885986 YFWNRPHSFWWAEG-UHFFFAOYSA-N 266.308 2.848 30 40 CFEB Fc1ccc(NC(=S)N/N=C/c2cccnc2)c(F)c1 17022842 VJGYMNBJGSCPTA-CAOOACKPSA-N 292.314 2.680 30 40 CFEB Cc1ccc([C@@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc1 18164201 OEWRVAGSQPCKPC-CQSZACIVSA-N 266.304 2.527 30 40 CFEB C=C[C@@H](C)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 95979497 KNMQFHYQMJKNAA-RDDDGLTNSA-N 274.147 2.718 30 40 CFEB N#Cc1cccc(C(=O)NCCOCc2ccccc2)c1 96446349 MNERCQBHACGYMK-UHFFFAOYSA-N 280.327 2.505 30 40 CFEB Cc1cccc2c1CN(C(O)=Nc1ccnnc1C)CC2 330244197 CYRUJHGZOMEEDA-UHFFFAOYSA-N 282.347 2.697 30 40 CFEB COc1ccccc1[C@H](C#N)C(=O)c1ccccn1 575442755 VEYVKVWKUNWDJV-LBPRGKRZSA-N 252.273 2.580 30 40 CFEB CC[C@](C)(Sc1nc(C)ccc1C#N)C(=O)O 12418555 BECXSNPGKJSMPZ-LBPRGKRZSA-N 250.323 2.607 30 40 CFEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1F 14607504 BRGQUWUUNNPLGZ-RFAUZJTJSA-N 298.321 2.685 30 40 CFEB O=C(/C=C/c1ccc2c(c1)CCO2)c1ccccn1 5521864 RCOAVSHISUATIJ-GQCTYLIASA-N 251.285 2.913 30 40 CFEB C/C(CC(C)(C)O)=N/N=c1/[nH]nc(Cl)c2ccccc12 9028103 HJGOTMPOXZVUMZ-SXGWCWSVSA-N 292.770 2.654 30 40 CFEB C[C@H](NC(=O)/C(Cc1ccccc1)=N\O)c1ccccc1 102912914 UIUFNYVIYSLSEL-LAVFMPCWSA-N 282.343 2.937 30 40 CFEB Cc1nc2ccccc2c(C)c1C/C(O)=N/c1ncn[nH]1 26263499 JAANAMCTNVKHOV-UHFFFAOYSA-N 281.319 2.800 30 40 CFEB COC(=O)c1ccc(/C=N/OCc2ccc(C#N)cc2)cc1 3320824 KAQBTPMXJWHTOS-YBFXNURJSA-N 294.310 2.896 30 40 CFEB N#Cc1cccnc1N(C[C@H](O)c1ccccc1)C1CC1 95418283 KUSBDRXSCXMYBP-INIZCTEOSA-N 279.343 2.656 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](CO)C2)cc1C(F)(F)F 36227709 ASXBZYSNXGYROJ-SNVBAGLBSA-N 284.281 2.786 30 40 CFEB N#Cc1ccccc1COC(=O)[C@H]1COc2ccccc2C1 16294486 QAMWCQWCBPBDEU-MRXNPFEDSA-N 293.322 2.853 30 40 CFEB N#CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 71883274 FUISFHMAXGCVQL-UHFFFAOYSA-N 295.273 2.743 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCCOc2cccc(C#N)c2)c1 69558621 XZLYKMLXEZHQNF-LSDHHAIUSA-N 298.390 2.681 30 40 CFEB CCC[C@H](C#N)NC(=O)CCOc1ccccc1Cl 69518489 NPEOUFDZVIJSAF-LLVKDONJSA-N 280.755 2.917 30 40 CFEB C#CCNC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 69708948 XWRVMTOFQLYQHS-CYBMUJFWSA-N 256.349 2.630 30 40 CFEB CN(C)[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 97096770 VZNZMVSOUWRGMU-NSHDSACASA-N 283.297 2.717 30 40 CFEB CCCCCCCCNC(=O)C(=O)NCCCCC 408707575 OSRWXGBHBVMCCD-UHFFFAOYSA-N 270.417 2.770 30 40 CFEB N#Cc1[nH]c(=NCc2ccc3c(c2)CCO3)ccc1Cl 524620919 MTWZDBBANOVGSM-UHFFFAOYSA-N 285.734 2.576 30 40 CFEB CCOC(=O)c1oc2cccc(OCC#N)c2c1C 85395605 QCWTZTPUKUDXCB-UHFFFAOYSA-N 259.261 2.820 30 40 CFEB COc1ccc2nccc(B3OC(C)(C)C(C)(C)O3)c2c1 694937999 WIVVQVDJIFVOQI-UHFFFAOYSA-N 285.152 2.543 30 40 CFEB C=C1CCCN(C(=O)[C@@H]2CCc3ccccc3O2)C1 575606952 PWYFHTRQAIIARN-HNNXBMFYSA-N 257.333 2.559 30 40 CFEB C=CCSc1nc2cc(C)[nH]c2c(=O)n1CCC 2087044642 HDNUCGJUWQAUFR-UHFFFAOYSA-N 263.366 2.721 30 40 CFEB C=CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 50081781 FSLZOISZYFTYIT-STQMWFEESA-N 289.379 2.608 30 40 CFEB COc1ccc(/C=N\Nc2nccs2)cc1[N+](=O)[O-] 31854330 FEZDISHYXORPBM-QPEQYQDCSA-N 278.293 2.506 30 40 CFEB CCCCc1c(C)nc(N/N=C/c2ccco2)nc1O 8742076 KGAFHWBJRZDLKI-OQLLNIDSSA-N 274.324 2.872 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1F 45244257 JXYXAXMKWDTEQY-UHFFFAOYSA-N 282.318 2.898 30 40 CFEB Cc1nnc(N2CCO[C@H](c3ccccc3)C2)c(C#N)c1C 29524682 OYMLAEXNRBNJOV-INIZCTEOSA-N 294.358 2.543 30 40 CFEB N#CCSc1nnc2c(Cl)cc(Cl)cn12 3404044 XNGIQQKCKRMASF-UHFFFAOYSA-N 259.121 2.652 30 40 CFEB C#CCNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 12975933 YCYAWIHEHIZHJL-BQYQJAHWSA-N 286.331 2.712 30 40 CFEB Cc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 72461827 JERGPKHOQLBISF-CQSZACIVSA-N 296.330 2.964 30 40 CFEB N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1 19817938 DQDILNDNGZRYFK-UHFFFAOYSA-N 289.342 2.674 30 40 CFEB N#Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1 15339217 XVEMQLSWTRMQAS-UHFFFAOYSA-N 262.312 2.757 30 40 CFEB C[C@H]1SCCN(C(=O)C2(C#N)CCCCC2)[C@@H]1C 71911081 RNSPTEKPTBJZLS-VXGBXAGGSA-N 266.410 2.813 30 40 CFEB CC1(C)CCCN1C(=O)NCc1cc(C#N)ccc1F 74798117 DSKOUJGXLGPUOL-UHFFFAOYSA-N 275.327 2.781 30 40 CFEB CC(C)c1ccc2c(c1)/C(=N/Nc1cccnc1)C(=O)N2 223730708 MPGSJHXOLRMNHK-UHFFFAOYSA-N 280.331 2.973 30 40 CFEB N#Cc1cccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1 13012856 DIGJJCWPZFDALE-KRWDZBQOSA-N 292.338 2.772 30 40 CFEB CN(C)/N=C1/CCC(C(F)(F)F)(C(F)(F)F)O1 17249215 GQDDGQBXRSWZMH-WCSRMQSCSA-N 264.169 2.535 30 40 CFEB CC(C)(O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 204460794 HYNTWRMHOPOYMZ-UHFFFAOYSA-N 296.603 2.867 30 40 CFEB Sc1nnc(-c2ccccc2)n1/N=C\c1cccnc1 4680047 KVLBOHIKTCDLMC-YBEGLDIGSA-N 281.344 2.511 30 40 CFEB COc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N 19862838 NDGRAPQDFPENEC-UHFFFAOYSA-N 284.706 2.736 30 40 CFEB C#CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 21903342 BFWVKKYTEXLMOS-UHFFFAOYSA-N 259.692 2.963 30 40 CFEB biogenic COc1ccc(CNc2nnc(C)c(C)c2C#N)cc1 24052736 PWYLRXTZGSFWLU-UHFFFAOYSA-N 268.320 2.586 30 40 CFEB COc1ccc(C(=O)/C=C/c2cccnc2)c(O)c1 4707204 BHHYCLIWDCRSPU-QPJJXVBHSA-N 255.273 2.692 30 40 CFEB N#Cc1ccccc1NC(=S)NC(=O)c1ccccc1F 367859 MZXLPDDTBQTMKG-UHFFFAOYSA-N 299.330 2.824 30 40 CFEB Cc1ccsc1CNc1nnc(C)c(C)c1C#N 26730439 RGSNJCNQBMQKQC-UHFFFAOYSA-N 258.350 2.947 30 40 CFEB CC(=N\O)/C(=N\O)c1ccc(NC(=O)c2ccccc2)cc1 104095708 ZJFVXYOXWTVGOC-CFBAGHHKSA-N 297.314 2.967 30 40 CFEB N#Cc1ccc(SCC(=O)NC2(C#N)CCCC2)cc1 58430810 BBRSVRJHONFFLF-UHFFFAOYSA-N 285.372 2.603 30 40 CFEB N#Cc1ccc(NC(=O)CCCn2cccc2)cc1C#N 97047338 BWGWMBCZIYXCEE-UHFFFAOYSA-N 278.315 2.650 30 40 CFEB Cc1nn(C)c(C)c1/C=C1\Cc2ccccc2C1=O 36621260 BXLZGDOPPMYKTQ-UKTHLTGXSA-N 252.317 2.859 30 40 CFEB C[C@@H](OC(=O)c1cccc(C#N)c1)c1nccs1 80338632 BHYUBDMDWSHKKO-SECBINFHSA-N 258.302 2.933 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccco1)C2 96049994 DPVQJQPWMSFULR-QGZVFWFLSA-N 288.391 2.813 30 40 CFEB CN(CCC#N)C(=O)CCc1ccccc1Cl 58309485 ZGMUIMOABGRMOM-UHFFFAOYSA-N 250.729 2.645 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)c1cccc(C#N)c1 58342984 NWJUHQSSGVMLHI-UHFFFAOYSA-N 268.238 2.749 30 40 CFEB N#Cc1cc(CN[C@H](CO)c2ccccc2)ccc1F 96006405 HFURMTYSBMUGSD-MRXNPFEDSA-N 270.307 2.521 30 40 CFEB C[C@@H]1CN(CC#C[C@@]2(C)CCCC(C)(C)O2)C[C@@H](C)O1 15079982 SMDJPRWUUWXCAB-BFYDXBDKSA-N 279.424 2.837 30 40 CFEB N#CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 12539169 ZPOGGEALUFDQTG-UHFFFAOYSA-N 283.297 2.741 30 40 CFEB CC1(C)CC(NCc2ccc(C#N)cc2)CC(C)(C)N1 20143330 REDYNFHTORUMNK-UHFFFAOYSA-N 271.408 2.957 30 40 CFEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(C)=O)=C2 40310276 GQPKJUIYKVESBW-UHFFFAOYSA-N 289.375 2.900 30 40 CFEB biogenic O=C1O[C@H](c2ccc(F)cc2)/C(=C(\O)c2ccccc2)C1=O 100440009 FPXCALUNTCBJRE-OMACXJQVSA-N 298.269 2.962 30 40 CFEB N#CCCSc1nnc(SCCC#N)s1 1665067 OFLKWIKPHTYGNU-UHFFFAOYSA-N 256.381 2.550 30 40 CFEB C=CCOc1ccc(CN(C)CC2(O)CCC2)cc1 79096591 KSPKOZAORHPZDS-UHFFFAOYSA-N 261.365 2.598 30 40 CFEB Fc1ccc(N/C(S)=N/CCCn2ccnc2)cc1 7502186 UIMWCUMOENEPBR-UHFFFAOYSA-N 278.356 2.810 30 40 CFEB CON(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 55106859 KTDGCQVTQBUYGQ-UHFFFAOYSA-N 296.326 2.771 30 40 CFEB CN1C(=O)CS/C1=C\C(=O)c1ccc(Cl)cc1 2657879 ALNSZKSJCRZFIM-SDQBBNPISA-N 267.737 2.569 30 40 CFEB C#CCNC(=O)c1ccc(Br)cc1OC(C)C 48962321 VXFHHQHINZUIIP-UHFFFAOYSA-N 296.164 2.599 30 40 CFEB Cc1[nH]/c(=N\N=C\c2ccccc2[N+](=O)[O-])sc1C 13896166 IBFABCHVMNXUST-NTUHNPAUSA-N 276.321 2.536 30 40 CFEB C[C@H](CO)CNc1cc(C#N)ccc1C(F)(F)F 97096812 WNZKWUOVCCBIJG-QMMMGPOBSA-N 258.243 2.617 30 40 CFEB N#Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 7954377 CHGQHOSQVGNEAG-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB Cc1ccc(CCN2CCN([C@@H](C#N)C(C)C)CC2)cc1 95960469 FOSJJRBXRHBRTL-SFHVURJKSA-N 285.435 2.703 30 40 CFEB C=CCN1C(=O)N/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409126234 DZBQAUJDHFKMLE-NTEUORMPSA-N 287.363 2.765 30 40 CFEB CCOC(=O)c1cccnc1SCCCC#N 96430235 UTHUEVLAVIVVPZ-UHFFFAOYSA-N 250.323 2.654 30 40 CFEB C#CC[C@](C)(O)c1cc(Br)c(F)cc1OC 575447617 JKYTUTXSWYOOON-LBPRGKRZSA-N 287.128 2.828 30 40 CFEB CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N 19499286 VNNZBORQEXPDPE-UHFFFAOYSA-N 296.374 2.661 30 40 CFEB CC(C)c1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2555858 BTFMPYGRMQMJIR-UHFFFAOYSA-N 285.323 2.889 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(F)c1F 40231119 VQZJQRWRKPYSHJ-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB CCOc1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)cc1 32636343 JBIMWODPLGBWHS-MRXNPFEDSA-N 290.363 2.519 30 40 CFEB c1cc(-c2ccc(OC[C@@H]3CO3)cc2)ccc1OC[C@@H]1CO1 3075545 OZRVXYJWUUMVOW-QZTJIDSGSA-N 298.338 2.909 30 40 CFEB N#CCSc1nnc(NC2CCCCC2)s1 3274250 RTFUUCKAHFMQGY-UHFFFAOYSA-N 254.384 2.898 30 40 CFEB C#CCn1c(C)nc(-c2ccccc2Br)c1N 100761339 PAZFRVXDOGLWGD-UHFFFAOYSA-N 290.164 2.836 30 40 CFEB Cc1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl 3305544 OKEUBROAVGUBJJ-WLRTZDKTSA-N 270.720 2.924 30 40 CFEB O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 21982295 DURMMNMFHRIMJD-DLBZAZTESA-N 297.354 2.923 30 40 CFEB N/C(=N\OCc1c(F)cccc1Cl)c1cccnc1 4051649 FLIDPAZUIKKMFI-UHFFFAOYSA-N 279.702 2.711 30 40 CFEB Cc1noc(C)c1[C@@H](C)CNC(=O)C1(C#N)CCCCC1 95434518 ICPNGPIERUJPND-NSHDSACASA-N 289.379 2.985 30 40 CFEB CCc1noc(C)c1C(=O)Nc1sccc1C#N 7781366 DNPVISZEQFHCFU-UHFFFAOYSA-N 261.306 2.731 30 40 CFEB C=C(C)CN(CC)C(=O)N[C@@H]1COc2ccccc21 97000098 WPPCWPGHAWAIIZ-CYBMUJFWSA-N 260.337 2.728 30 40 CFEB Cc1c(/C=C2\COc3ccccc3C2=O)cc(C#N)n1C 96767415 JQUYJEBCESRNMN-NTUHNPAUSA-N 278.311 2.864 30 40 CFEB Cc1cc(C)n(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 78665198 BODCKPCRJHXQAP-UHFFFAOYSA-N 299.378 2.567 30 40 CFEB C=CCn1nc(OCc2ccccc2Cl)c(C#N)c1N 225837243 GZECFBIJHBPZJT-UHFFFAOYSA-N 288.738 2.755 30 40 CFEB C=CCOCc1ncn2c1CN(Cc1ccoc1)CCC2 96058990 UGVFIMMMAAFXFA-UHFFFAOYSA-N 287.363 2.585 30 40 CFEB Cc1nnc(SCCN2CCCCC2)c(C#N)c1C 97237180 MOVQCDOYNULQDF-UHFFFAOYSA-N 276.409 2.543 30 40 CFEB C=C(Br)CN(C)[C@H](C)c1ccccn1 96485810 LHIKXZRJJKSRIJ-SNVBAGLBSA-N 255.159 2.983 30 40 CFEB C(=N/n1cnnc1)\c1ccc(Oc2ccccc2)cc1 16490831 AWDPVHLJYYEPIX-VCHYOVAHSA-N 264.288 2.953 30 40 CFEB CCc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 147717 SUJSBXZLDMPWSY-HNNXBMFYSA-N 282.347 2.718 30 40 CFEB O=c1[nH]c2ccc(/N=C/c3cc(Cl)ccc3O)cc2[nH]1 274253 HKCMXIASARTLQF-FRKPEAEDSA-N 287.706 2.966 30 40 CFEB N#Cc1cc(F)c(NCCCOC[C@H]2CCOC2)c(F)c1 77229653 IRFQXOMKYMZWSX-LLVKDONJSA-N 296.317 2.692 30 40 CFEB O=C[C@]12[C@H]3[C@H]4C=CC[C@@H]4[C@@H]4[C@H]5[C@H]6[C@H]([C@H]43)[C@H]1[C@@H]1CC[C@H](O[C@H]52)[C@@H]61 104288703 GVVNEXCWLFFAGP-YRWVOJBWSA-N 294.394 2.539 30 40 CFEB Cc1nc(S[C@@H]2CCCCNC2=O)c(C#N)c(C)c1C 10273294 NEVVTFNLSIMTIV-CYBMUJFWSA-N 289.404 2.639 30 40 CFEB CCOC(=O)c1cccc([C@@H](C#N)c2ccccc2)n1 72319859 KNFWODCGAQJLJN-ZDUSSCGKSA-N 266.300 2.914 30 40 CFEB N#C[C@@H](Sc1ncn[nH]1)c1ccc(Cl)cc1 5763584 TXGUBKMLWGKQLE-SECBINFHSA-N 250.714 2.815 30 40 CFEB N#Cc1cccn(CCOc2ccc(F)cc2Cl)c1=O 93887065 UDVRUUASKOVRLI-UHFFFAOYSA-N 292.697 2.591 30 40 CFEB CC(C)[C@@H](Nc1ccc(C#N)cn1)c1nnc2ccccn12 95415038 HUXRRMCBJBDVGL-OAHLLOKOSA-N 292.346 2.805 30 40 CFEB CCOC(=O)Nc1ccc(NCC2CC2)cc1C#N 97051353 YYMZGYFFBMULQU-UHFFFAOYSA-N 259.309 2.949 30 40 CFEB CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 37502318 MMGXVZFRUICILQ-STQMWFEESA-N 287.407 2.902 30 40 CFEB C=C(Br)CN1CCCC[C@H]1[C@H](O)CC 76325275 GLYRTCCVBLPCBX-WDEREUQCSA-N 262.191 2.520 30 40 CFEB CN(Cc1cc(F)ccc1C#N)[C@H]1CCSC1 89937652 GSFSLIRTPYVCOC-ZDUSSCGKSA-N 250.342 2.635 30 40 CFEB CCCCn1nc(Cc2cccc(F)c2)c(C#N)c1N 225832062 KZBQDFWDNZJKFQ-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB COc1ccc(N(CC#N)Cc2ccco2)cc1F 96417472 IUIXKPZWLZPUBG-UHFFFAOYSA-N 260.268 2.957 30 40 CFEB N#CCCOCCC(F)(F)C(F)(F)Br 98210912 OJCCXTHSTHCGIJ-UHFFFAOYSA-N 278.043 2.930 30 40 CFEB C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2Cc1cccc(F)c1 96186267 YTOGVYGDCPVTHC-HOTGVXAUSA-N 288.366 2.577 30 40 CFEB C=C(C)CN1CCC(NC(=O)NCc2ccsc2)CC1 71879704 USWVWBCFUMRGIB-UHFFFAOYSA-N 293.436 2.588 30 40 CFEB Cc1ncsc1C(=O)Oc1ccc(CC#N)cc1 76815196 ALKDLHWIRNYSIK-UHFFFAOYSA-N 258.302 2.737 30 40 CFEB COc1ccc(/C=C/C(=O)[C@]23CCC[C@@H]2O3)cc1OC 100019828 VGHKTVMADWRSIB-BWVNKGDMSA-N 274.316 2.608 30 40 CFEB CN(CCc1ccncc1)Cc1cc(F)ccc1C#N 97235673 QCFOKBVLYMVJDQ-UHFFFAOYSA-N 269.323 2.767 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N\OC(=O)c1ccccc1 13478170 BHUGEYWWNUWAAY-NZQCTYEBSA-N 260.337 2.560 30 40 CFEB O=[N+]([O-])c1ccc(NN=C2CCCC2)c([N+](=O)[O-])c1 4536404 PWMLZJHXUHLKPB-UHFFFAOYSA-N 264.241 2.845 30 40 CFEB CC1(C)CC(=O)C(I)=C(O)C1 3944897 AFDMFHFKJXLZRX-UHFFFAOYSA-N 266.078 2.580 30 40 CFEB Cc1nn(C)c(Cl)c1/C=N/OC(=O)c1ccccc1 1386948 ASMLWRHPFWHBEA-OVCLIPMQSA-N 277.711 2.573 30 40 CFEB C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccncc1 43329958 YEUYHTJDXDCTNM-NSHDSACASA-N 266.304 2.836 30 40 CFEB N#CCN(C(=O)c1cc(Cl)ccc1F)C1CC1 58282885 PGEQHAGXDHSUSW-UHFFFAOYSA-N 252.676 2.607 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)c1 36396463 MVJBAMDDWHBLQG-HNNXBMFYSA-N 298.386 2.501 30 40 CFEB CSc1nc(C2CC2)cc(C(=O)NC(C)C)c1C#N 48439161 QLKVQPSWICMUSO-UHFFFAOYSA-N 275.377 2.691 30 40 CFEB C=C=C[C@@]1(Cl)C(=O)C(Cl)=C(Cl)C1(OC)OC 4029609 GDPGXNFZLWGBNP-SECBINFHSA-N 283.538 2.566 30 40 CFEB biogenic CC[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 5089207 PYSJLPZDWDLVBT-VIFPVBQESA-N 291.420 2.885 30 40 CFEB CC1CCC(=Nn2c(S)nnc2C(F)(F)F)CC1 5686207 TZZDDOXGLGOWKX-UHFFFAOYSA-N 278.303 3.000 30 40 CFEB COc1ccccc1NC(=O)O/N=C(\N)c1ccccc1 5997066 PJFWWQXLEUCIJL-UHFFFAOYSA-N 285.303 2.564 30 40 CFEB Cc1cc(C)n([C@H](C)/C(O)=N/c2nc(C(C)C)nn2C)n1 71896333 AUEJWBYCLDEVIO-LLVKDONJSA-N 290.371 2.601 30 40 CFEB C[C@@H](Sc1cc(C#N)ccn1)C(=O)N1CCCCCC1 71918523 BLJFNBIGZYNQDX-GFCCVEGCSA-N 289.404 2.836 30 40 CFEB C[C@@]1(O)CC(=O)C=C(c2cccc(Br)c2)C1 40174906 IEFCYSWDVHHGST-ZDUSSCGKSA-N 281.149 2.946 30 40 CFEB N#CCCOCC(F)(F)C(F)(F)C(F)(F)F 72265865 SZHXPEFRVRVYAF-UHFFFAOYSA-N 253.117 2.750 30 40 CFEB Cc1ccc(SCC(=O)NC2(C#N)CCCCC2)nc1 42173178 JCZLZMBMTUYXBK-UHFFFAOYSA-N 289.404 2.825 30 40 CFEB N#CCCn1cc(C(=O)O)c(-c2ccc(Cl)cc2)n1 5000364 YLDNIEKBDXRSCM-UHFFFAOYSA-N 275.695 2.815 30 40 CFEB C=CCN(CC(=O)O)C(=O)c1cccc2ccccc12 92463057 CNLBQIFGBVGOIK-UHFFFAOYSA-N 269.300 2.553 30 40 CFEB C=CC[n+]1c(C)n(CC)c2ccc(C(=O)OCC)cc21 243453 BVPIGWWCEKKGLO-UHFFFAOYSA-N 273.356 2.620 30 40 CFEB C=C[C@H]1CCC[N+]1(CC(=O)OCC)Cc1ccccc1 1635366 JDANAFGMKSPXRI-ATNAJCNCSA-N 274.384 2.915 30 40 CFEB N#Cc1cccc(CS(=O)(=O)c2ccccc2)c1 1733321 VGFFMCSVTLVHHD-UHFFFAOYSA-N 257.314 2.532 30 40 CFEB C#Cc1cccc(NCC(=O)N2CCc3ccccc32)c1 55769366 VOIKXKMJWOAABZ-UHFFFAOYSA-N 276.339 2.669 30 40 CFEB Cc1c(/C=C2\N=C(c3cccs3)OC2=O)cc(C#N)n1C 3252989 FDXOVAQIGPFUCO-GHXNOFRVSA-N 297.339 2.611 30 40 CFEB Cc1cc(C)cc(NCC(=O)N[C@](C)(C#N)C(C)C)c1 36394067 XVPZECMFWQDZRA-MRXNPFEDSA-N 273.380 2.770 30 40 CFEB O=C1C=C(c2ccccc2)OC(=O)[C@@H]1C(=O)c1ccccc1 100365026 PWKVTTYAAUTDHI-INIZCTEOSA-N 292.290 2.653 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9335546 RKZQLYRJHZNEQM-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB Cc1nn(Cc2cccc3ccccc23)c(=O)c(C#N)c1C 7384454 OKJPSPCWCSRFOQ-UHFFFAOYSA-N 289.338 2.933 30 40 CFEB Cc1nc(N(C)CCC#N)c2c3c(sc2n1)CCC3 8146730 QVRCQWOLBWLXHW-UHFFFAOYSA-N 272.377 2.838 30 40 CFEB Cc1ccc(NCC(=O)NC2(C#N)CCCC2)cc1C 69349245 HVSYXWFFRTXVKU-UHFFFAOYSA-N 271.364 2.668 30 40 CFEB CCC[C@H](C#N)NC(=O)/C=C/c1c(F)cccc1F 69454234 JQQRKBSIQSNRNG-QROSGCPLSA-N 264.275 2.786 30 40 CFEB Cc1cnc(NC(=O)/C=C/c2ccccc2C#N)s1 8753113 HIANSAZEZDGUNZ-VOTSOKGWSA-N 269.329 2.975 30 40 CFEB O=C1CN(c2ccccc2)C(=O)/C1=C\c1ccccc1 217437770 CLRIKQKDQWDBAB-PTNGSMBKSA-N 263.296 2.686 30 40 CFEB Cc1nc(N(C)Cc2ccccc2)ccc1/C=N/O 72224427 IKBCOJLANNIYEH-MHWRWJLKSA-N 255.321 2.835 30 40 CFEB CCn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N 225829904 SGAIVMFMUNIFPB-UHFFFAOYSA-N 260.728 2.601 30 40 CFEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1O 83313559 QQIDWQSZAGABAG-DHDCSXOGSA-N 287.275 2.755 30 40 CFEB N#Cc1ccsc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 98013200 ZBOXSURNYLUGBX-TXEJJXNPSA-N 258.346 2.658 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(NC(C)=O)s2)c1 22761244 ZYFHHZSFEFRNTF-UHFFFAOYSA-N 284.340 2.940 30 40 CFEB C=C(C)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 153639193 ZXTHXIQMTZJVBG-UHFFFAOYSA-N 263.297 2.943 30 40 CFEB N#Cc1cccc(NC(=O)NCc2ccc(CO)c(F)c2)c1 53756017 DZTFGJCYGTZKAY-UHFFFAOYSA-N 299.305 2.511 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(Cl)cc1Cl 3888450 YJQDKTIGNICBOV-YHYXMXQVSA-N 275.087 2.791 30 40 CFEB Cc1ccc(CN2CCCN(CCCC#N)CC2)cc1 42598394 DSBVXCUBKLBHFV-UHFFFAOYSA-N 271.408 2.807 30 40 CFEB N#Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 3279587 UIJGPSXUJKHZEF-UHFFFAOYSA-N 281.271 2.648 30 40 CFEB C[C@H](COc1ccccc1)Nc1ccc(C#N)cn1 58194249 REDLSHGXQCVOQK-GFCCVEGCSA-N 253.305 2.833 30 40 CFEB O=C1C(Cl)=C(NCc2cccnc2)C(=O)c2ccccc21 100548839 ZTXDNERBBRUWDG-UHFFFAOYSA-N 298.729 2.701 30 40 CFEB CC[C@H](C)/N=C(/S)N1CCN(Cc2ccccc2)CC1 13556345 ATHVMPMAUINGHF-AWEZNQCLSA-N 291.464 2.889 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)c2ccc3cc[nH]c3n2)n1 96013395 ODNCZYGSDGLXOY-JTQLQIEISA-N 282.328 2.818 30 40 CFEB O/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1 409064902 QTRWYDWBNZEHQM-WCSRMQSCSA-N 267.647 2.870 30 40 CFEB N#CCC[C@H](C#N)CN1CCCN(Cc2ccccc2)CC1 25304122 IRXCQCOBLRAUHV-GOSISDBHSA-N 296.418 2.638 30 40 CFEB C/N=C1/S/C(=C/c2cc(Cl)ccc2O)C(=O)N1C 408929254 IRUSQECGOBJRTA-LYZYBJJASA-N 282.752 2.578 30 40 CFEB CCOc1ccc(C(=O)N(CCC#N)C(C)C)cc1OC 69416773 ARXNBGCMEPIJPX-UHFFFAOYSA-N 290.363 2.858 30 40 CFEB C[C@H](CC#N)N(C)C(=O)CCCOc1ccccc1F 69897353 OFUBRZBBPCXAAI-GFCCVEGCSA-N 278.327 2.745 30 40 CFEB C[C@@H](C#N)OC(=O)/C=C/c1ccc2ccccc2n1 9630733 WZFDBQMQTFJAEL-FBOQAHMBSA-N 252.273 2.703 30 40 CFEB O=S(=O)(/N=C(\O)C1=CCCCCC1)c1cccnc1 97163999 MKFNWQVPCYNQEP-UHFFFAOYSA-N 280.349 2.617 30 40 CFEB CS[C@@H]1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 98010344 SMUQGLFTKQJWIJ-UONOGXRCSA-N 274.389 2.962 30 40 CFEB C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@H]1SC 74762719 YXNPTYXWCDQSSW-VXGBXAGGSA-N 254.399 2.654 30 40 CFEB N#Cc1ccnc(N[C@@H](CCO)C2CCCCC2)c1 283773733 PGDUJPDASFIFKB-AWEZNQCLSA-N 259.353 2.696 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C\c2ccc(Cl)cc2Cl)n1 31667445 DPOCHLRFJYIZFM-UUASQNMZSA-N 297.145 2.831 30 40 CFEB CO[C@@]1(C)C[C@H](NC(=O)c2cccc(CC#N)c2)C1(C)C 73257257 GNULYVFTGZGHQH-YOEHRIQHSA-N 286.375 2.686 30 40 CFEB C[C@@H](Oc1cccc(F)c1C(N)=O)c1ccc(C#N)cc1 194668087 HUFVUPKBJLODTN-SNVBAGLBSA-N 284.290 2.936 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(F)c(C)c1 88533134 MDHJBCJNOIRZNR-NSHDSACASA-N 277.343 2.554 30 40 CFEB CCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 97941783 RKZPKXHTMXUNHG-QPSCCSFWSA-N 293.407 2.986 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)cc1C 256046208 DMGXRPFYKNBAMY-UHFFFAOYSA-N 295.390 2.992 30 40 CFEB COc1cc(Cl)c(CN(C)CC#N)cc1Cl 95982649 ZZGJFOKMSSPEIW-UHFFFAOYSA-N 259.136 2.957 30 40 CFEB O[C@H](C#C[C@H](O)C1CCCCC1)C1CCCCC1 17313032 XPFSGHNYNKITHN-IYBDPMFKSA-N 250.382 2.872 30 40 CFEB CNc1ccccc(C(=O)/C=C/c2ccc(C#N)cc2)c1=O 19909638 JLDXIGSOPVWQNO-ZHACJKMWSA-N 290.322 2.856 30 40 CFEB N#Cc1cc(C#N)c(Br)cc1Br 1848350182 ZNBRGBYGUHMQOV-UHFFFAOYSA-N 285.926 2.955 30 40 CFEB N#Cc1ccc(N2CCN(C3CCCC3)CC2)c(F)c1 50165720 SHZFMFLRKOFOMH-UHFFFAOYSA-N 273.355 2.762 30 40 CFEB CCCc1ccc(S(=O)(=O)N/N=C\c2ccco2)cc1 20573231 WVAVMJVUYAXRQP-PTNGSMBKSA-N 292.360 2.545 30 40 CFEB C=CCNc1nc2c(s1)C(=O)c1ccccc1C2=O 1622385 WYYBABIENBJOLM-UHFFFAOYSA-N 270.313 2.516 30 40 CFEB C/C(=N\OS(=O)(=O)c1ccc(C)cc1)c1ccccn1 6745254 APEWFPWGCBGLFM-FOWTUZBSSA-N 290.344 2.520 30 40 CFEB CC(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 48166712 IHYWWBCUYMNLGF-UHFFFAOYSA-N 284.315 2.868 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1cc(C)ccc1C 100415319 ZXOBUTGZFHUQNN-PTNGSMBKSA-N 254.717 2.831 30 40 CFEB CCCCCCCNC(=O)C(=O)NCc1ccc(C)cc1 103752101 UAVISPJHQXNIKO-UHFFFAOYSA-N 290.407 2.698 30 40 CFEB CCCCNC(=S)N(C)/N=C/c1ccc(C)s1 3329353 YIWSCRDDUXBFFC-NTEUORMPSA-N 269.439 2.997 30 40 CFEB C#CCN(C(=O)c1cccnc1OCC)C1CCCCC1 60163682 IROOQSDVVGYTMT-UHFFFAOYSA-N 286.375 2.888 30 40 CFEB CN(C(=O)c1cc(-c2cccs2)on1)C1(C#N)CCC1 66322320 XGKUYZPJCXFDQN-UHFFFAOYSA-N 287.344 2.921 30 40 CFEB O=C1CC(c2ccccc2)CC(=O)C1=CN1CCCC1 4834213 YTOGCBFPCXVRKJ-UHFFFAOYSA-N 269.344 2.682 30 40 CFEB C#CCOc1c(CC=C)cc(/C=N/O)cc1OCC 409066243 KNWKKCFCRIFJRC-LFIBNONCSA-N 259.305 2.634 30 40 CFEB C[C@H](NC(C)(C)CNc1cnc(C#N)cn1)c1ccccc1 123711759 GWGSWWURYAFCGP-ZDUSSCGKSA-N 295.390 2.890 30 40 CFEB CCCCCCCC(=O)NCCCc1nnc(S)n1C 521394399 YEVKVCNSZJWPKW-UHFFFAOYSA-N 298.456 2.513 30 40 CFEB C=C(Cl)CN1CCn2c(nnc2-c2ccccc2)C1 98015876 CQEGFUVFJPESNQ-UHFFFAOYSA-N 274.755 2.513 30 40 CFEB O=C1CCCC2=C1[C@@H](c1cccs1)Nc1nonc1N2 12408400 HEAQSNNWBYOAPN-LLVKDONJSA-N 288.332 2.717 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 35149904 KBBGAVCOPZHGRF-UHFFFAOYSA-N 261.284 2.797 30 40 CFEB CC(=O)C1=C(O)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 4453235 BSWHPRMMXNFNGV-JTQLQIEISA-N 286.114 2.565 30 40 CFEB CN(C)CCC[C@@](C#N)(CCN(C)C)c1ccccc1 6426282 ZWSLGGLYOUGQKB-KRWDZBQOSA-N 273.424 2.741 30 40 CFEB C[C@@H](NC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 12559017 BBDSGOXNKZYONZ-LLVKDONJSA-N 290.326 2.926 30 40 CFEB CN(C)[C@H](CN/C(N)=N/c1ccccc1)c1cccs1 57752166 JYGBIGIURCKRKZ-CYBMUJFWSA-N 288.420 2.587 30 40 CFEB CCCCCCCCCCN(CC(=O)O)CC(=O)O 100071506 DXNWGSZOARYHSZ-UHFFFAOYSA-N 273.373 2.598 30 40 CFEB N#Cc1ccc(/C=N/OCc2ccccc2C#N)cc1 408594105 SFXGYWWOHKCNFG-YBFXNURJSA-N 261.284 2.981 30 40 CFEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 18219412 RANCKKDYFVPFGY-RFAUZJTJSA-N 298.321 2.685 30 40 CFEB COC(=O)c1ccc(C)c(/N=C/c2cccn2C)c1 409107195 VPJWMMSEXKAUIG-MHWRWJLKSA-N 256.305 2.871 30 40 CFEB O=[N+]([O-])c1cc(/C=N\c2cccc(O)c2)ccc1O 408965330 VVAWHUQDRBGTSS-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB CC(C)COc1nc2c(cc1C#N)COC(C)(C)C2 32124375 QPLQZBQGIXESFS-UHFFFAOYSA-N 260.337 2.839 30 40 CFEB biogenic C[C@@]1(O)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 185654506 BBDCZCPVFZTRMU-CYBMUJFWSA-N 284.281 2.928 30 40 CFEB C=CCOc1ccc(NC(=S)NCCC)cc1 225373557 GXVFCMNWWVJULV-UHFFFAOYSA-N 250.367 2.948 30 40 CFEB Cc1cccc(CSc2nc(C)c(C#N)c(N)n2)c1 225891134 LRYTVWWMLWNNIK-UHFFFAOYSA-N 270.361 2.840 30 40 CFEB Cc1ccc(C)c(-n2nc(C#N)c(N3CCCCC3)n2)c1 256045810 BBUOKDKHYCYGOP-UHFFFAOYSA-N 281.363 2.746 30 40 CFEB CC(C)(C)CN(CCC#N)C(=O)c1noc2c1CCCC2 69658000 GYINWKQTBAXCNI-UHFFFAOYSA-N 289.379 2.955 30 40 CFEB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H](C)CC#N)s1 108322191 RMPINLZWQRILEZ-YUSALJHKSA-N 262.378 2.921 30 40 CFEB CC1=C/C(=N\Nc2c(C)n[nH]c2Br)N=N1 6962266 FIHOGYNRZJZLJA-AWNIVKPZSA-N 269.106 2.576 30 40 CFEB CN(Cc1ccccc1F)C(=O)c1cccc(C#N)c1 6405485 NUZJSBQXOIQCAY-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB Cc1ccc(C(=O)/C=C(\O)C(=O)Nc2ccccn2)c(C)c1 100141763 VNCIVEZNYQCWGE-GDNBJRDFSA-N 296.326 2.962 30 40 CFEB CCOc1cc2c(cc1OCC)[C@H](CC#N)NCC2 19418803 SMZBYPCVZWQVMG-ZDUSSCGKSA-N 260.337 2.584 30 40 CFEB COc1cc(C#N)ccc1Oc1nn2cc(C)nc2s1 44648588 JVUKPQKTIHONGV-UHFFFAOYSA-N 286.316 2.772 30 40 CFEB Cc1cc(C)cc(C(=O)[C@@H](C#N)C(=O)N2CCCCC2)c1 103502443 ACBJUELDGGHIIB-OAHLLOKOSA-N 284.359 2.638 30 40 CFEB Cc1cc(C)c(C#N)c(OCC(=O)OCc2ccccc2)n1 125915 UEDWSIZILDQVLZ-UHFFFAOYSA-N 296.326 2.692 30 40 CFEB C/N=C(/NC)NCCc1ccc(-c2csc(C)n2)s1 58407774 VXSGDBIUTNRHLL-UHFFFAOYSA-N 294.449 2.517 30 40 CFEB N#Cc1ccc(N/C=C2/C(=O)Oc3ccccc3C2=O)cc1 100856178 IZICVYRWNBBCMV-GXDHUFHOSA-N 290.278 2.656 30 40 CFEB CCOc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 58536809 SLDUKZBYUCXAEM-RUDMXATFSA-N 256.305 2.715 30 40 CFEB CC1=NOC(=O)/C1=C\c1ccc(Br)cc1 59109310 BBUSRWDMHVPPNH-POHAHGRESA-N 266.094 2.765 30 40 CFEB CC(C)c1cccc(OCC(=O)N[C@](C)(C#N)C2CC2)c1 66276756 IGKOUEFORFTRTR-QGZVFWFLSA-N 286.375 2.997 30 40 CFEB N#Cc1nccnc1N[C@@H]1CCOC2(CCCCC2)C1 95425705 CMYAIYFPHYJTTR-GFCCVEGCSA-N 272.352 2.642 30 40 CFEB C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncccc2C#N)C1 18068198 SMEJWOFUUSDNJI-TXEJJXNPSA-N 289.404 2.550 30 40 CFEB CCCN(C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1 75137395 RAJYGUOZMHVVKI-CQSZACIVSA-N 293.798 2.753 30 40 CFEB COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1 31867285 KQIKRDLGFQRRBF-GXDHUFHOSA-N 279.295 2.914 30 40 CFEB Cc1cccc(-n2nc(C#N)c(N3CCCCCC3)n2)c1 256049059 XYFRZMOSUTTYPN-UHFFFAOYSA-N 281.363 2.828 30 40 CFEB N#Cc1nn(-c2ccccc2)nc1N1CCCCCC1 256047064 KBFQVRVFAUZMDY-UHFFFAOYSA-N 267.336 2.519 30 40 CFEB N#Cc1ccc(OCCNc2cccc(F)n2)cc1 76063635 ZNECAOIJWQRVEQ-UHFFFAOYSA-N 257.268 2.583 30 40 CFEB C=CCNC(=S)N1CCN(c2ccccc2Cl)CC1 5420911 HJOUPSHCKZTNEX-UHFFFAOYSA-N 295.839 2.523 30 40 CFEB CN(C)/C(N)=N/CC(C)(C)c1ccccc1Br 157412129 IJDCVHQRAFUDGD-UHFFFAOYSA-N 298.228 2.603 30 40 CFEB COc1cc([C@H](C#N)N2CCCCCC2)ccc1O 49573691 NUVHEHXLBXHODA-ZDUSSCGKSA-N 260.337 2.841 30 40 CFEB COc1ccc(/C=N/OC(=O)c2cccnc2Cl)cc1 165111 GSCQVTAFNGCGIK-RQZCQDPDSA-N 290.706 2.935 30 40 CFEB COC(=O)c1sccc1N/C(C)=C\C(=O)C(F)(F)F 100917720 SZFMNVMLLCWMSJ-WAYWQWQTSA-N 293.266 2.982 30 40 CFEB N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 32907459 FRCKWFQRNRPLRH-INIZCTEOSA-N 277.327 2.931 30 40 CFEB Cc1[nH]c(=O)c(C#N)c(C)c1CSCc1ccco1 32666 LRICFIYSTRGVRM-UHFFFAOYSA-N 274.345 2.890 30 40 CFEB Cc1nc(-c2ccccc2F)sc1C(=O)NCC#N 12321432 UQPYJDPQSKAVKH-UHFFFAOYSA-N 275.308 2.511 30 40 CFEB C=CCc1c(O)cc(OC)c2c(=O)c(OC)c(C)oc12 6556397 RXUGZUKQDZWJHX-UHFFFAOYSA-N 276.288 2.553 30 40 CFEB biogenic,in-vitro O=C1C=CC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC=CC3 104290083 JXEJUTYOEIZHKE-ZKHRPDRESA-N 264.324 2.635 30 40 CFEB CCCOc1ccc(/C=N/n2cnnc2)c(OCCC)c1 3225371 ZHQQHDWWCPDZAR-VCHYOVAHSA-N 288.351 2.738 30 40 CFEB Cc1ncsc1C(=O)N(CC#N)c1ccccc1 58263830 AONSMNJVTQHIOE-UHFFFAOYSA-N 257.318 2.622 30 40 CFEB C=C(C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 5158381 RTUPRHIHXSAWDP-LBPRGKRZSA-N 286.283 2.855 30 40 CFEB biogenic,in-vitro CC(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 15028844 AIQWOKLYXGANRI-UHFFFAOYSA-N 293.326 2.963 30 40 CFEB C[C@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1C 6913557 UFAIZDMFSYSZNN-MRVPVSSYSA-N 262.313 2.625 30 40 CFEB CC1(C)CC(=O)C(C(=O)Nc2ccccc2)=C(O)C1 16740051 SQDWNHRSJXSPSO-UHFFFAOYSA-N 259.305 2.826 30 40 CFEB C[C@H](CNc1ccc(F)cc1C#N)Cn1ccnc1 91454411 DSRQZJPVJMZYOY-LLVKDONJSA-N 258.300 2.642 30 40 CFEB Cc1ccc(/N=C(\O)CN2CCC(C(=N)O)CC2)cc1F 82049288 XELGLCVACSPCHU-UHFFFAOYSA-N 293.342 2.969 30 40 CFEB N#CC1(C(=O)N2CCC[C@@H](n3ccnc3)C2)CCCCC1 69807989 CHNMIBOIWGAZTI-CQSZACIVSA-N 286.379 2.521 30 40 CFEB C[C@@H](O)C1CCN(c2cc(Cl)ccc2C#N)CC1 98012545 BLWBOSIHUVPIPT-SNVBAGLBSA-N 264.756 2.809 30 40 CFEB Cc1ccccc1C1(O)CCN(C[C@H](C#N)CCC#N)CC1 75923338 JYGSBTPPZSCRRD-INIZCTEOSA-N 297.402 2.722 30 40 CFEB C[C@H](Oc1ccc(/C=N/Nc2ccccc2)cc1)C(=O)O 39557347 VYOYWBRCQAQELB-OOIIIRTPSA-N 284.315 2.985 30 40 CFEB N#Cc1ccccc1OCC(=O)NC/C=C/c1ccccc1 79032515 GLSKQFHPNDURHH-RMKNXTFCSA-N 292.338 2.767 30 40 CFEB CCCc1c(N)cc(C#N)n1CCOc1ccccc1 225861339 RYKPMHDCOMCNPS-UHFFFAOYSA-N 269.348 2.973 30 40 CFEB CC(C)(C)NC(=O)CSCc1ccc(C#N)cc1 46805019 OUPQAZASXXXFAJ-UHFFFAOYSA-N 262.378 2.706 30 40 CFEB N#Cc1cc(N)c(Br)n1C1CCCC1 225889370 BXIINIDJCUMYTC-UHFFFAOYSA-N 254.131 2.820 30 40 CFEB CC/N=C1\S/C(=C/c2ccco2)C(=O)N1CC 5372377 UAVGRZIWQYUHPE-SMEYHRCOSA-N 250.323 2.592 30 40 CFEB N#CC1(NC(=O)COc2ccccc2F)CCCCC1 5216425 FHYKKWVKVARRTB-UHFFFAOYSA-N 276.311 2.547 30 40 CFEB COc1ccc(OC)c(C#Cc2cccc(N)c2)c1 37547805 BBRDJSQUAODKCU-UHFFFAOYSA-N 253.301 2.686 30 40 CFEB C[C@@H](CC#N)NC(=O)[C@H](C)CCc1ccccc1F 79813244 BZJPCWYCBIPSET-NEPJUHHUSA-N 262.328 2.813 30 40 CFEB CCCCN(C)CC(=O)Nc1c(C#N)oc2ccccc12 48286183 OZUPWNULMXBNMF-UHFFFAOYSA-N 285.347 2.975 30 40 CFEB CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1 58248097 PXTVMVFCOHCVRO-UHFFFAOYSA-N 253.261 2.704 30 40 CFEB N#Cc1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc1 100835082 IZICVYRWNBBCMV-UVTDQMKNSA-N 290.278 2.656 30 40 CFEB C=CCOC(=O)c1c(C)nc2cc3c(cc2c1C)OCO3 3345306 WLUNOVYTMKMQEF-UHFFFAOYSA-N 285.299 2.923 30 40 CFEB C=CCn1cc[n+](CC(=O)c2c[nH]c3c(CC)cccc23)c1 7785156 UJDSIVMQVXJJMY-UHFFFAOYSA-O 294.378 2.888 30 40 CFEB CC[C@H](C)NC(=O)COc1ccc(C#N)cc1Cl 7856460 OSTQWUQSKAVEIT-VIFPVBQESA-N 266.728 2.505 30 40 CFEB CCc1cc(NCCOC)n2c(nc3ccccc32)c1C#N 8308374 HEECKFFWOJXPKY-UHFFFAOYSA-N 294.358 2.980 30 40 CFEB CC[C@@](C)(C#N)NC(=O)c1ccc(OC(F)F)c(OC)c1 69418974 WTUXURYEYOWEJJ-AWEZNQCLSA-N 298.289 2.719 30 40 CFEB Cc1ccc(CC(=O)N[C@H](C#N)CC(C)C)s1 69529646 YPRCAUJEBQCOAW-NSHDSACASA-N 250.367 2.654 30 40 CFEB N#CC1(NC(=O)c2ccc3ccccc3c2)CCOCC1 71908923 VGPQWNKZONVHOP-UHFFFAOYSA-N 280.327 2.642 30 40 CFEB Cc1sc(N=C(N)N)nc1-c1ccc2c(c1)CCC2 30005218 XAQXNHVCSZEEAQ-UHFFFAOYSA-N 272.377 2.512 30 40 CFEB CC(C)(C)c1cnc([S@](=O)CCCC#N)s1 123542706 KWGWZMNTBWNUNL-INIZCTEOSA-N 256.396 2.852 30 40 CFEB FC1(F)C(F)(F)C(F)(F)[C@@]2(F)O[C@]2(F)C1(F)F 103545329 ZWSICHXNVFXDHH-PHDIDXHHSA-N 278.045 2.903 30 40 CFEB C=CCN1CCCC12CCN(Cc1cccn1C)CC2 96159376 GVJGCKCYRNCBSR-UHFFFAOYSA-N 273.424 2.642 30 40 CFEB CCO/C=N/c1c(C#N)cnn1-c1cccc(C)c1 256053893 UBJQHJKWBSHEIJ-MHWRWJLKSA-N 254.293 2.749 30 40 CFEB COc1ccc(N[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)cn1 252585044 FRRVDPQBMNVUDD-TUVASFSCSA-N 287.363 2.742 30 40 CFEB COc1ccc(C#C[C@H](O)c2ccccc2[N+](=O)[O-])cc1 606507118 VXYTUQMBRPXJBX-INIZCTEOSA-N 283.283 2.689 30 40 CFEB Cc1c(C(=O)[C@@H](C#N)C(=O)NC(C)C)oc2c(C)cccc12 103633249 VSQOUBQOIXZXRI-CYBMUJFWSA-N 298.342 2.897 30 40 CFEB CN(/N=C\c1ccccc1)/C(N)=N/c1ccccc1 5707187 GXGRPHHDCSXVTP-ATVHPVEESA-N 252.321 2.599 30 40 CFEB COc1cccc([C@@H]2CCCC[C@@H]2OS(C)(=O)=O)c1 1706495 YUAOBYZCIKFUID-KBPBESRZSA-N 284.377 2.698 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 22475053 INMSQOHMDCYUPL-UHFFFAOYSA-N 293.294 2.747 30 40 CFEB N#CCSc1nnc(CNc2cccc(Cl)c2)o1 4161698 FEJVKDWSACYCNT-UHFFFAOYSA-N 280.740 2.951 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1 23680378 SCTQBNYFLISRNA-VIFPVBQESA-N 255.104 2.691 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 101460049 AXBKZHIACBIGID-FVFCLLSXSA-N 273.405 2.673 30 40 CFEB Cc1noc(C)c1NC(=O)[C@H](C)Oc1ccccc1C#N 58264737 ZGVIIKICJOYLHR-NSHDSACASA-N 285.303 2.569 30 40 CFEB COc1ccc(C)cc1/N=C/c1c(CO)cnc(C)c1O 5110604 MWCDEWBUFWQORL-QGMBQPNBSA-N 286.331 2.656 30 40 CFEB C=CCN(C)CCc1c[nH]c2cccc(OC(C)=O)c12 2356096523 PGBFYUDKPCYIEB-UHFFFAOYSA-N 272.348 2.754 30 40 CFEB N#Cc1cccc(CN2CCCC[C@H]2Cn2cccn2)c1 71875209 IJKRJTZFYLPIKP-KRWDZBQOSA-N 280.375 2.809 30 40 CFEB C=C(C)n1c(=O)n(CCCC(=O)OCC)c2ccccc21 35644716 OJACLUBSYIHTEB-UHFFFAOYSA-N 288.347 2.637 30 40 CFEB in-vitro C=CCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225808007 TWRUSJCJNNXJIC-LBPRGKRZSA-N 259.349 2.635 30 40 CFEB N#Cc1c(C2CC2)nn(Cc2ccc(Cl)cc2)c1N 225840078 AGUGFWKSHVSQNY-UHFFFAOYSA-N 272.739 2.916 30 40 CFEB COc1ccc(C2CCN(c3nccnc3C#N)CC2)cc1 96444376 QSZFULJJBGJKJM-UHFFFAOYSA-N 294.358 2.741 30 40 CFEB CC(C)(C)OC(=O)Nn1cc(Br)cc1C#N 91297533 SIUZUFSQLYFQRR-UHFFFAOYSA-N 286.129 2.601 30 40 CFEB C[C@H](CO)Nc1c(C#N)cnc2ccc(OC(F)F)cc12 97379687 PHHHBCRTHZPVFI-MRVPVSSYSA-N 293.273 2.501 30 40 CFEB O=C1C=C([C@H](O)Cc2ccccc2)C(=O)c2ccccc21 2044328 VGJVLFZDHPYDLO-MRXNPFEDSA-N 278.307 2.596 30 40 CFEB O=C1C[C@@H](c2ccco2)CC2=N[C@@H]3CCCC[C@@H]3NC=C12 5201062 CBZHXTFUQISHNY-FPMFFAJLSA-N 284.359 2.965 30 40 CFEB Cc1cc(C)n(/N=C/C=C\c2ccccc2)c(=O)c1C#N 4582487 YTRNPYCLWYTULP-IGHDPAQPSA-N 277.327 2.884 30 40 CFEB CC1(C)C[C@H](/N=C/c2ccc3c(c2)OCO3)CCO1 100098666 HWCIFQLIGDWBNY-GFQQVXNGSA-N 261.321 2.792 30 40 CFEB COc1cc(O)c(C(=O)/C=C/Cc2ccco2)c(OC)c1 2510900 SGGXBCXKPQUUSX-XVNBXDOJSA-N 288.299 2.984 30 40 CFEB Cc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(O)c1 4099248 CMBINJZWHNQQSA-UHFFFAOYSA-N 297.270 2.682 30 40 CFEB N#Cc1c2c(c(=S)n(Cc3ccncc3)c1N)CCCC2 9341341 QWUYTZJPGOZLAL-UHFFFAOYSA-N 296.399 2.994 30 40 CFEB CCC[C@@H](CN1CCN(CC#N)CC1)c1ccccc1 97033910 CROCGGNJFWMELU-KRWDZBQOSA-N 271.408 2.711 30 40 CFEB CCCOc1cccc(N[C@H](C)C(=O)N(C)CCC#N)c1 79029583 MBZSYDBIELNMTF-CYBMUJFWSA-N 289.379 2.648 30 40 CFEB CC(C)(C)CCC/C(O)=N/S(=O)(=O)CC1CC1 73538981 DRVCJMYOEVRCJL-UHFFFAOYSA-N 261.387 2.899 30 40 CFEB C#CC[C@@H](OC(=O)c1ccc(NC(C)=O)cc1)C1CC1 79211569 XPPHLZYWJFGVRA-OAHLLOKOSA-N 271.316 2.604 30 40 CFEB CCOc1ccc(NC(=O)C(C)(C)OCC)c(C#N)c1 225814171 XETJFWUXLFZPFE-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2cccc(F)c2)n1 223676304 NEJDKLROFBRTOV-UHFFFAOYSA-N 288.351 2.772 30 40 CFEB COc1ccc(NC(=O)C2(OC)CCCCC2)cc1C#N 225805377 ZQDHENFERDPVFH-UHFFFAOYSA-N 288.347 2.855 30 40 CFEB C/C(=C/c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 96454235 DWUVBQRXKAJGNX-LUAWRHEFSA-N 258.296 2.791 30 40 CFEB Cc1cccc(NC[C@H]2CCN(C[C@H](C#N)CCC#N)C2)n1 97203973 JNBZZMLZJCKWKT-JKSUJKDBSA-N 297.406 2.567 30 40 CFEB N#Cc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1 230484728 DGDRUQNBAGESRA-UHFFFAOYSA-N 290.113 2.994 30 40 CFEB CC(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@H]1O 253480987 CZZAIHWBOUXBPS-DEPYFDJDSA-N 254.370 2.509 30 40 CFEB biogenic,in-vitro COc1cc2c(cc1OC)[C@@H](C)N(CCC#N)CC2 19905325 RPMIGHNAKXORLF-LLVKDONJSA-N 260.337 2.537 30 40 CFEB N#CC1(C(=O)N2CCc3cc(Br)ccc32)CC1 225991950 IMIDUZVAKGAKER-UHFFFAOYSA-N 291.148 2.642 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(CO)c2)c1 12403633 QWDLCXNDQXFPMT-OVCLIPMQSA-N 272.260 2.543 30 40 CFEB CC(C)(C)c1n[nH]c(SC[C@H](C#N)CCC#N)n1 54866652 HAXQLNQUCALNPX-VIFPVBQESA-N 263.370 2.638 30 40 CFEB Cn1c(N/N=C/c2ccc(C#N)cc2)nc2ccccc21 52412185 GAKZPMSGTILGQU-WOJGMQOQSA-N 275.315 2.891 30 40 CFEB CC(=O)N1C(=O)/C(=N\C2CCCCC2)c2ccccc21 59383094 GHNXZDBZVOFBRB-ICFOKQHNSA-N 270.332 2.702 30 40 CFEB CCOc1ccc(Cl)c(C(=O)N(C)C2(C#N)CCC2)n1 49313799 GJYVHQYFRJBMGG-UHFFFAOYSA-N 293.754 2.652 30 40 CFEB CN(C(=O)[C@@H]1C[C@@H]1c1ccco1)c1cccc(C#N)c1 49374699 UVJSBKLXOFYMTP-UONOGXRCSA-N 266.300 2.918 30 40 CFEB C#CC(CC)(CC)NC(=O)COc1ccccc1F 6558663 MRMKUPXCYHLOCO-UHFFFAOYSA-N 263.312 2.513 30 40 CFEB C=CCSc1nc(N2CCOCC2)c2sccc2n1 5631291 GEYFJQUBUIGTTM-UHFFFAOYSA-N 293.417 2.806 30 40 CFEB C=CCO/N=C1\C[C@@H]2[C@H](C[C@]1(C)N(C)C)C2(C)C 4862827 KDOWIRPIALEFSJ-HPJAEMANSA-N 250.386 2.931 30 40 CFEB Cn1cc([C@@H]2CCCN2CCOc2cccc(C#N)c2)cn1 69667573 PRFMQQUAIVGTEB-KRWDZBQOSA-N 296.374 2.508 30 40 CFEB CCOc1ccccc1CN(CC#N)CCCn1ccnc1 71893009 CKRCPCLLRAATLR-UHFFFAOYSA-N 298.390 2.698 30 40 CFEB CCSCc1ccnc(NC(=O)c2ccc(C#N)cn2)c1 95976915 JLLHDSZXSLOJLU-UHFFFAOYSA-N 298.371 2.854 30 40 CFEB C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 96039596 LJDVDWAGLWQZMJ-IRXDYDNUSA-N 291.391 2.853 30 40 CFEB C[C@@H]1C[C@@]2(C)O[C@@H]2CN1C(=O)OCc1ccccc1 242648796 RIRWBDVJTPSYDY-UXIGCNINSA-N 261.321 2.575 30 40 CFEB Fc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1 253618203 CBDSEJYDEMLGSQ-UHFFFAOYSA-N 290.245 2.607 30 40 CFEB S=C(N/N=C/c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 253618419 AXBKZHIACBIGID-YATQOYNPSA-N 273.405 2.673 30 40 CFEB N#CCCCS(=O)(=O)Cc1ccccc1C1CC1 390833137 CRFYXIQREKTAJT-UHFFFAOYSA-N 263.362 2.783 30 40 CFEB N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccco1 267048 KMZRKIYNMJYPNK-BQYQJAHWSA-N 297.339 2.678 30 40 CFEB CC(C)(C)c1ccc(C(=O)/C=C2/NC(=O)CS2)cc1 12504705 UHLNJOPKVUCCER-ZSOIEALJSA-N 275.373 2.871 30 40 CFEB C=C(C)CNC(=O)Nc1ccc(-n2cccn2)cc1 156342675 KJUHORSWGCZDAO-UHFFFAOYSA-N 256.309 2.570 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccccc1O 2633736 GXQUELXQZHFFGC-UHFFFAOYSA-N 253.257 2.621 30 40 CFEB N#Cc1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299409 KGJUAXVRFGFKOB-UHFFFAOYSA-N 280.312 2.815 30 40 CFEB COc1ccc(C(=O)/C=C/NCc2cccnc2)cc1OC 32100270 FUFAHIBVDQXGEF-VQHVLOKHSA-N 298.342 2.585 30 40 CFEB C=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O 100819724 DHSUHPJUEBYIIS-UHFFFAOYSA-N 278.311 2.820 30 40 CFEB C=C[C@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4025413 JBTQEJHRGJHHHA-IPQWEPCOSA-N 264.365 2.969 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])s1 3341636 YVDVLXTWOBGJCV-UHFFFAOYSA-N 288.284 2.885 30 40 CFEB Cc1csc(SCC(=O)N[C@@](C)(C#N)C(C)C)n1 7195756 SDGUQDCGMGPTGI-LBPRGKRZSA-N 283.422 2.598 30 40 CFEB N#C[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 19935021 AEIYKBMCHVJDRP-GFCCVEGCSA-N 271.147 2.890 30 40 CFEB CCCCOC(=O)[C@H](C)Sc1cc(C#N)ccn1 71922141 LXQHJAYFZJVHJI-JTQLQIEISA-N 264.350 2.777 30 40 CFEB COC(C)(C)CCOc1c(N)cc(C#N)n1C(C)C 225877940 DPPGXGNRSNZMOU-UHFFFAOYSA-N 265.357 2.717 30 40 CFEB C#CCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344893 CFGWCJIGZAMJFS-RYUDHWBXSA-N 268.143 2.846 30 40 CFEB C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccncc1F 252480648 CBSZOTLWEZLOLM-LLVKDONJSA-N 298.321 2.653 30 40 CFEB CCOC(=O)c1cccnc1Oc1ccc(C#N)cc1OC 48314495 LRFDIBWJFKYYKX-UHFFFAOYSA-N 298.298 2.931 30 40 CFEB O=C(NCC#Cc1ccccc1)c1cccc(F)c1 57531659 BMYKTSOIWDMXHO-UHFFFAOYSA-N 253.276 2.607 30 40 CFEB CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)O 17176368 LGNIJSJHMTUWHN-SDNWHVSQSA-N 265.269 2.638 30 40 CFEB O=C(O)/C(O)=C/C(=O)c1cc(Cl)ccc1Cl 106679620 LOUIDGHNABFALK-WTKPLQERSA-N 261.060 2.703 30 40 CFEB O=c1[nH]ncc(N/N=C\C=C\c2ccccc2)c1Cl 5009454 GAAJAKKWZSDRMV-GVEAZFNLSA-N 274.711 2.534 30 40 CFEB Cc1ccccc1OS(=O)(=O)c1cccc(C#N)c1 16089875 GEGPXBXDLRUPNN-UHFFFAOYSA-N 273.313 2.634 30 40 CFEB C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c2ccccc21 382339 FWXSOGOVTXJJIJ-CYBMUJFWSA-N 281.359 2.914 30 40 CFEB Cc1ccc(NC(=O)[C@@H](C#N)C(=O)CC(C)C)cc1 103503780 FVPHDPRRBRVFFQ-ZDUSSCGKSA-N 258.321 2.689 30 40 CFEB C=CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 47864404 CXSIPQHNLHCNDE-UHFFFAOYSA-N 287.222 2.504 30 40 CFEB C[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N 24167197 HSEXNLGLVKMHHJ-LLVKDONJSA-N 277.393 2.823 30 40 CFEB C[C@H](NCCc1ccccn1)c1ccc(C#N)cc1 19916568 CUEIIYHXWCTNRR-ZDUSSCGKSA-N 251.333 2.847 30 40 CFEB Cc1cc(/N=C2\C=C(O)C(=O)c3ccccc32)no1 104312570 HRKCQTXLHWUTON-RVDMUPIBSA-N 254.245 2.742 30 40 CFEB O=C(/C=C\C(=O)c1ccc(O)cc1)Oc1ccccc1 104252120 TYGRIELPKJNHJS-KHPPLWFESA-N 268.268 2.737 30 40 CFEB C=C(Br)CS/C(N)=N/C(C)(C)C 60511596 ZETVXFNMKDVEJC-UHFFFAOYSA-N 251.193 2.741 30 40 CFEB C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 19497556 OTOMIICXPNUNMN-QWRGUYRKSA-N 264.756 2.821 30 40 CFEB CCCOc1ccccc1/C=N/N1C(=O)CSC1=S 408600058 SKBOVVJUDLWPEZ-RIYZIHGNSA-N 294.401 2.670 30 40 CFEB C/N=C(/NC)NCc1ccc(-c2ccccc2C#N)cc1 90988608 PDNOCXJHVBIDEX-UHFFFAOYSA-N 278.359 2.520 30 40 CFEB N#Cc1ccc(N2CCC(n3ccnc3)CC2)c(F)c1 71899519 KXWRWMYKZNAINT-UHFFFAOYSA-N 270.311 2.735 30 40 CFEB C#CCN(CC1CC1)c1cc(CC)nc(-c2ccccn2)n1 95437073 AIJHBYSXLWKZBI-UHFFFAOYSA-N 292.386 2.951 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1 97018926 PXFYYQCUNPBLCZ-UHFFFAOYSA-N 294.310 2.828 30 40 CFEB Cc1ccn(Cc2csc(-c3ccco3)n2)c(=O)c1C#N 97141187 NSHAZHBIUGECEK-UHFFFAOYSA-N 297.339 2.793 30 40 CFEB N#C[C@@H](C(=O)NCc1ccco1)c1ccc2ccccc2n1 89873134 VGCIPGWWNVZSBN-CQSZACIVSA-N 291.310 2.751 30 40 CFEB CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCCO1 126044709 YCYYVXIYNPKHHE-OAHLLOKOSA-N 283.375 2.812 30 40 CFEB C/C=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)F 72265740 WKRWOIXKTQNNAZ-NSCUHMNNSA-N 268.128 2.939 30 40 CFEB C[C@H]1C[C@H](c2ccsc2)CN1S(=O)(=O)CCCC#N 96421286 OAGVLMDLGJAOPT-AAEUAGOBSA-N 298.433 2.559 30 40 CFEB N#Cc1ccc(N2CCOC[C@@H]2c2ccccc2)nc1 79017372 NTGWHBFMRJVKRO-OAHLLOKOSA-N 265.316 2.531 30 40 CFEB COCc1ccccc1C(=O)Nc1cc(C#N)ccc1O 95443681 LGINXSQOJXQYDL-UHFFFAOYSA-N 282.299 2.663 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/N=C\c2ccccc2O)c1 16919742 DYEDOYDKMXCULY-TYVLLQCESA-N 269.260 2.753 30 40 CFEB Cc1noc(/C=C/c2ccc(OCC#N)cc2)c1[N+](=O)[O-] 6417792 OZTJOLVYQLXERG-QPJJXVBHSA-N 285.259 2.964 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)C1(F)CCC1)C2 1614927409 PVEFGXONYRLBCG-HNNXBMFYSA-N 280.387 2.522 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCO2 20925683 RQRGSVQMKGNGTH-LICLKQGHSA-N 298.298 2.950 30 40 CFEB COc1ccccc1/C=N/OCCOc1ccc(C#N)cc1 32957778 CRBKKIBMPXUYHX-CPNJWEJPSA-N 296.326 2.996 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCC(=O)c1ccc(F)c(F)c1 87234868 IOUFZGZBASLMQI-NSHDSACASA-N 294.301 2.736 30 40 CFEB CCCCCCCCCC[N+](C)(C)C[C@H](O)CO 104199949 QETRTSPCNIAWCR-HNNXBMFYSA-N 260.442 2.557 30 40 CFEB C=CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 100630065 XFFQLJKLTOFGHV-UHFFFAOYSA-N 263.300 2.689 30 40 CFEB CCN(CCC#N)Cn1ncn(-c2ccccc2)c1=S 49389448 PGIWZJFNHKEAQH-UHFFFAOYSA-N 287.392 2.596 30 40 CFEB COc1cc(C(=O)N(CCC#N)C(C)C)cc(OC)c1C 69483758 HWJJOMQXQGSFNF-UHFFFAOYSA-N 290.363 2.777 30 40 CFEB N#CCN(C(=O)CCc1ccsc1)C1CCCC1 75143046 KLSMSFZZYHWYBJ-UHFFFAOYSA-N 262.378 2.975 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccccc1F 660067336 RCNFPCWUOIOCSJ-OKILXGFUSA-N 295.379 2.839 30 40 CFEB C[Si](C)(C)c1cn[nH]c1/C=N/Cc1ccccc1 222048759 QUBCQRNOXRWHOZ-XNTDXEJSSA-N 257.413 2.574 30 40 CFEB CCN(CC)c1nn(-c2ccccc2Cl)nc1C#N 256045781 AYRALVWOHHLRFU-UHFFFAOYSA-N 275.743 2.639 30 40 CFEB C=CCN/C(=N\C1CCCCC1)NCc1ccccn1 75583189 ODJYYTMHPAKUFQ-UHFFFAOYSA-N 272.396 2.636 30 40 CFEB Nc1ccc([C@H](C/C(=N/O)c2ccccc2)NO)cc1 13403864 DGRSGHQSWOZTGS-YIQZXQSLSA-N 271.320 2.557 30 40 CFEB C=CCN1C(=O)N/C(=C/c2c(F)cccc2Cl)C1=O 4472447 FRNLCWFTVLZZBB-YRNVUSSQSA-N 280.686 2.558 30 40 CFEB CC(C)(C)[C@H]1COC(C(C#N)C2=N[C@@H](C(C)(C)C)CO2)=N1 1875251761 JFTKLAIXKLBJQR-VXGBXAGGSA-N 291.395 2.813 30 40 CFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2ccccc21 16480118 IHCOGTLUTDGMFC-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB N#Cc1ccc(NCCOc2ccccc2F)nc1 40480065 YZSCYIZILJORAH-UHFFFAOYSA-N 257.268 2.583 30 40 CFEB N#Cc1cccc(NC(=O)c2cc(C3CC3)on2)c1 32871968 IZVLWISYQNESEJ-UHFFFAOYSA-N 253.261 2.676 30 40 CFEB C=C(C)CN(CC)C(=O)/C=C/c1csc(C)n1 58412450 NSLDCRWIWZFWJY-VOTSOKGWSA-N 250.367 2.889 30 40 CFEB CSC(/N=C\N(C)C)=N\N=C/c1ccc(Cl)cc1 104244949 DKZXYLJDVYNGHD-DYYIJRHZSA-N 282.800 2.983 30 40 CFEB N#CCN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C1CC1 95404731 DDVBLALONHQGOT-FUHWJXTLSA-N 280.371 2.795 30 40 CFEB Cc1nccn1CCCNc1cccc(F)c1C#N 76063300 VWJYFMSLAHRRRM-UHFFFAOYSA-N 258.300 2.705 30 40 CFEB N/C(=N\OCc1ccc(Cl)cc1)c1cccnc1 5945137 VRFUVBIRDZYLMR-UHFFFAOYSA-N 261.712 2.572 30 40 CFEB CC(C)[C@H](C#N)NC(=O)[C@H]1SCCc2ccccc21 80165990 DXFATYZOIOUUFM-KBPBESRZSA-N 274.389 2.681 30 40 CFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCCCCC1 7378186 BBMOZAQCDWUOOE-CYBMUJFWSA-N 271.364 2.761 30 40 CFEB C[C@H]1CCCN(/C(N)=N/CCCc2nc3ccccc3[nH]2)C1 69893301 KZYVDGMCJDCBKR-ZDUSSCGKSA-N 299.422 2.542 30 40 CFEB N#CC1(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCC1 98013234 XSARHAMAKPYLPE-CMPLNLGQSA-N 276.286 2.631 30 40 CFEB N#Cc1cccc(C(=O)Oc2ccc3nccnc3c2)c1 89863600 WTLRAEXUONGMPD-UHFFFAOYSA-N 275.267 2.721 30 40 CFEB C=CCOc1ccccc1/C=C1\SC(=O)N(C)C1=O 408535782 WKWVAKAKABRHQB-XFXZXTDPSA-N 275.329 2.918 30 40 CFEB Cc1cccc(Cc2nn(CC(C)C)c(N)c2C#N)c1 225834392 ULTNNMLSMHVVIS-UHFFFAOYSA-N 268.364 2.892 30 40 CFEB C/N=C(/NC)N[C@@H]1CC2(CCCC2)Oc2ccccc21 195546266 NHRHDJYZFPQJJX-CYBMUJFWSA-N 273.380 2.618 30 40 CFEB N#Cc1c[nH]c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 89762065 CQPBOGSPYOUBFH-TZMCWYRMSA-N 257.337 2.681 30 40 CFEB COc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c(OC)c1 95095966 SRZFETUMQDEXCH-JOYOIKCWSA-N 292.253 2.723 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1OCCO2 620312842 ODXGECDOLABGMU-BETUJISGSA-N 285.343 2.781 30 40 CFEB CC[C@H]1Cc2ccccc2CN1c1cnc(C#N)cn1 274648924 CGVVLCWXBBIPHF-HNNXBMFYSA-N 264.332 2.690 30 40 CFEB C=CCN(C(=O)c1cccc(C(=O)O)c1)C1CCCC1 97160146 RLKDACLJKGOQRS-UHFFFAOYSA-N 273.332 2.956 30 40 CFEB N#Cc1c(N2CCCC2)cc(Cl)nc1N1CCCC1 19851702 LMWHGSOTPHQWFJ-UHFFFAOYSA-N 276.771 2.807 30 40 CFEB CCCCCC#CC[C@@H](O)[C@H](O)COCc1ccccc1 5782294 BOIFQAQIEVVUJL-QZTJIDSGSA-N 290.403 2.899 30 40 CFEB O=CCCc1cc(Br)cc2c1OCC2 157315171 VRCRAJQGDAWPPP-UHFFFAOYSA-N 255.111 2.516 30 40 CFEB CN(C)C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 20129298 AFZYVDAOYQBPSE-GOSISDBHSA-N 279.387 2.951 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@H]2CCCC[C@H]2C)c1 12522015 PUJUDMRZNNJTAL-CJNGLKHVSA-N 270.376 2.775 30 40 CFEB C#Cc1cccc(NC(=O)N[C@@H](C)c2ccncc2)c1 43985798 KCJRVGZZIPPASB-LBPRGKRZSA-N 265.316 2.946 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)Cc1coc(-c2ccccc2)n1 58314518 VKBGTFFNGVSBEI-LBPRGKRZSA-N 283.331 2.502 30 40 CFEB Cn1cccc1/C=C1/S/C(=N\c2ccccc2)NC1=O 2702059 LCISGORPEYFNGS-JLHYYAGUSA-N 283.356 2.917 30 40 CFEB CC(=O)/N=C1\NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 16249727 GLBJDZWMQFJDHB-QPEQYQDCSA-N 299.355 2.583 30 40 CFEB COC(=O)[C@@H](NC1CCCCC1)c1cccc(C#N)c1 95425677 JJQXXOLCLAZFBJ-HNNXBMFYSA-N 272.348 2.695 30 40 CFEB CN(C)Cc1ccnc(NCc2cc(C#N)cs2)c1 97045289 OPOTYPREGXCXOW-UHFFFAOYSA-N 272.377 2.688 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)CCC(C)C)c(C)o1 97035223 WOKJPNUUVPLUBM-UHFFFAOYSA-N 273.354 2.978 30 40 CFEB Cn1c(NC(=O)c2cccc(C#N)c2)nc2ccccc21 27923978 LCIJKOKBSRYNHW-UHFFFAOYSA-N 276.299 2.697 30 40 CFEB O=C1C=C/C(=N\Nc2cccc([N+](=O)[O-])c2)c2ncccc21 110471918 GQUDEKMWGMDOQY-QGOAFFKASA-N 294.270 2.559 30 40 CFEB CCOc1ccccc1/C=C1/S/C(=N/C)N(C)C1=O 408929796 OFZZUROBOBGPJI-HFCGUZMISA-N 276.361 2.617 30 40 CFEB N#Cc1nc(-c2ccccc2C(F)(F)F)oc1NN 526052344 CAECYGPTCLESET-UHFFFAOYSA-N 268.198 2.518 30 40 CFEB CC[C@@H](Oc1ccccc1C(C)C)/C(O)=N/S(C)(=O)=O 78602917 GWJZTXSMJXPYCK-GFCCVEGCSA-N 299.392 2.884 30 40 CFEB C=CCNC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181830259 VLVMYBQBUDMCFT-UHFFFAOYSA-N 290.750 2.591 30 40 CFEB C=CCn1ncc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1C 247848401 UGDBCOZNPYYOPH-DLBZAZTESA-N 289.423 2.505 30 40 CFEB N#Cc1cc(Br)cnc1N1C[C@H]2CCC[C@@H]2C1 297587961 TYCBWQVOYPFYSU-NXEZZACHSA-N 292.180 2.952 30 40 CFEB Cc1nc(Cl)c(C#N)c(C)c1I 952990096 UTDWLMKNWSPKGX-UHFFFAOYSA-N 292.507 2.828 30 40 CFEB N#Cc1cc(Br)cnc1NCc1ccncc1 74370360 LKRNNOPBIBCBOC-UHFFFAOYSA-N 289.136 2.723 30 40 CFEB C[C@H]1C[C@H](C)CN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 5739331 QIPJLDIRSZAQEG-QWRGUYRKSA-N 284.319 2.820 30 40 CFEB COc1cccc(OCC(=O)Oc2ccc(C#N)cc2)c1 3231006 ZPIGPIZZOOWTJZ-UHFFFAOYSA-N 283.283 2.551 30 40 CFEB COCCN(C(=O)C=C(C)C)c1ccc(C#N)cc1 78877199 HPWRFLZWGZVCNV-UHFFFAOYSA-N 258.321 2.504 30 40 CFEB C[C@H]1CCC[C@@H](C)N1CCOc1cc(N)ccc1C#N 1661464 FBASXSODSJYVLL-BETUJISGSA-N 273.380 2.782 30 40 CFEB COc1cccc(NC(=O)c2cccc(C#N)c2)c1 3607552 RHYJMLLWIPXXIE-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N/OC(=O)c1ccccc1 3900693 BHUGEYWWNUWAAY-XTJHUYNNSA-N 260.337 2.560 30 40 CFEB C=CCO[C@H]1CO[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 107730516 SZLCPPFJDJPDNL-SJORKVTESA-N 291.391 2.914 30 40 CFEB Cc1cc(C)n(/N=C\C=C\c2ccccc2)c(=O)c1C#N 25662733 YTRNPYCLWYTULP-CAMSTOTOSA-N 277.327 2.884 30 40 CFEB Cc1cccc(Cc2c(C)[nH]c(=O)c(C#N)c2C)c1 13520565 ZJQIAXZESQBAFQ-UHFFFAOYSA-N 252.317 2.763 30 40 CFEB Cn1cccc1/C=C1\S/C(=N/c2ccccc2)NC1=O 5156009 LCISGORPEYFNGS-RAXLEYEMSA-N 283.356 2.917 30 40 CFEB C=CCNC(=S)N/N=C/c1ccc(Cl)cc1Cl 4672185 QHOKAGVYFAEXRV-VIZOYTHASA-N 288.203 2.977 30 40 CFEB CCc1cc[n+](CC(=O)Nc2ccc(F)c(F)c2F)cc1 6787643 UTZBLOJXHMUKBB-UHFFFAOYSA-O 295.284 2.593 30 40 CFEB C/C(=N/Nc1nc2ccccc2n1C)c1ccc(O)cc1O 408647160 BGHVJUCIMHZKCF-ZDLGFXPLSA-N 296.330 2.821 30 40 CFEB CCOc1cc(/C=N\O)ccc1OCc1cccnc1 138266519 GZUVAQDZZGEBPP-YVLHZVERSA-N 272.304 2.867 30 40 CFEB CCN(CC)c1c(N)cc(C#N)n1Cc1cccc(F)c1 225864284 FLWYOKJBXBEMCG-UHFFFAOYSA-N 286.354 2.976 30 40 CFEB C#CCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCCC1 97374957 MFCRPNDVROFNCV-UHFFFAOYSA-N 297.276 2.828 30 40 CFEB C#CCN(C(=O)c1ccc(C)nc1)C1CCCCC1 95956322 LDGHCIGOUUVDJL-UHFFFAOYSA-N 256.349 2.798 30 40 CFEB CCOCCSc1nnc(CC)c(CC)c1C#N 96466638 SRZDCYZCLYBHGK-UHFFFAOYSA-N 265.382 2.602 30 40 CFEB CCOC(=O)C1=C2C(=CC1=O)[C@@H](C)[C@@H](C)[C@H](C)[C@H]2C 5030058 HUINLMNLDWXWDJ-XWLWVQCSSA-N 262.349 2.913 30 40 CFEB N#Cc1c(COC(=O)C2(O)CCCCC2)cn2ccccc12 22520033 MCODIOHYVVOZLL-UHFFFAOYSA-N 298.342 2.549 30 40 CFEB Cc1ccccc1N/N=C/c1ccc(O)c(O)c1O 5417312 NZZHXJUJUSIWNJ-OVCLIPMQSA-N 258.277 2.558 30 40 CFEB NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1 100202675 ZMNYJXSPONEATH-NVMNQCDNSA-N 288.734 2.955 30 40 CFEB CCN1C(=O)CS/C1=N/[C@H](C)Cc1ccccc1 102112973 BNLAJLJVTJJWBR-BFWGRDPESA-N 262.378 2.569 30 40 CFEB CCc1ccc(C(=O)[C@H](C#N)C(=O)N2CCCCC2)cc1 103502465 IHRUKEPGSFPWMU-HNNXBMFYSA-N 284.359 2.584 30 40 CFEB Cn1nc(C(F)(F)F)cc1-c1ccccc1C#N 12370702 RHTYRUPBJDKBMM-UHFFFAOYSA-N 251.211 2.978 30 40 CFEB CC(=O)O/N=C/c1c(Cl)n(C)c2ccccc12 4051481 ZQECDYUKOOURNB-VGOFMYFVSA-N 250.685 2.729 30 40 CFEB C=CCNC(=O)CCCc1nc(-c2ccc(C)cc2)no1 4433956 IUTUDLRGUVITAK-UHFFFAOYSA-N 285.347 2.670 30 40 CFEB C=CCn1cnnc1SCc1ccccc1C#N 48325844 UVGONVODZKUIDX-UHFFFAOYSA-N 256.334 2.628 30 40 CFEB Cc1cc(C)cc(NCC(=O)NC2(C#N)CCCC2)c1 36397156 CEDDAIOALDNMFC-UHFFFAOYSA-N 271.364 2.668 30 40 CFEB C=CCNS(=O)(=O)c1cc(Cl)c(C)cc1OCC 11566134 XBCDYEFYEKIKBA-UHFFFAOYSA-N 289.784 2.511 30 40 CFEB C#CCNC(=O)CS[C@H](C)c1c(F)cccc1F 49065123 KLFBXPGXSRXHBZ-SECBINFHSA-N 269.316 2.508 30 40 CFEB Cc1cc(C)n(/N=C\c2ccc(Cl)cc2)c(=O)c1C#N 4567710 FRGHETWNXAGILM-NVMNQCDNSA-N 285.734 2.872 30 40 CFEB CCN1C(=O)N[C@@H](c2ccccc2)C(C(C)=O)=C1C 6604097 IKRJEKKSBMJDRD-AWEZNQCLSA-N 258.321 2.636 30 40 CFEB CN(C)/N=C/C=C1/CC/C(=C/c2cccs2)C1=O 89310324 NHXPOKSIFFHVFE-DZRJMRKJSA-N 260.362 2.968 30 40 CFEB N#Cc1c[nH]c(C(=O)Nc2ccc(F)cc2NC2CC2)c1 89769672 XCWGRQAGAFLJAS-UHFFFAOYSA-N 284.294 2.852 30 40 CFEB CC1(C)C=C(I)C(=O)CC1 22002832 GCYIUYNQBWWXBZ-UHFFFAOYSA-N 250.079 2.694 30 40 CFEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1C 408785621 ACLPHTWNTAUUFK-YBEGLDIGSA-N 286.404 2.962 30 40 CFEB CC1(C)[C@H](O)[C@]2(Br)CC[C@@]1(CC#N)C2 216528605 FSRFSLXWGWWDBH-GDPRMGEGSA-N 258.159 2.605 30 40 CFEB CCOC(=O)[C@@H]1O[C@]1(C)c1ccc(Br)cc1 85657681 LKRBKFJICYDHNL-CMPLNLGQSA-N 285.137 2.626 30 40 CFEB N#Cc1cccc(C(=O)c2ccc(C3OCCO3)s2)c1 43210410 KFFVHASQMJBHMR-UHFFFAOYSA-N 285.324 2.896 30 40 CFEB C=CCOC(=O)c1cc(NC)ccc1N(CC)CC 226279118 VZVRJXQYUNSRKQ-UHFFFAOYSA-N 262.353 2.917 30 40 CFEB COc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)c(F)c1 95096111 URNFQTIYNZFDTH-KCJUWKMLSA-N 280.217 2.853 30 40 CFEB Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/O)CCC2 16740191 MYBDETRXOOEUQF-WOJGMQOQSA-N 285.303 2.750 30 40 CFEB O=C(OCC(F)F)OCC(F)(F)C(F)(F)F 169795635 PYSZIOXDYDRBHD-UHFFFAOYSA-N 258.089 2.602 30 40 CFEB CCCCOc1ccc(/C=N\N=C(/S)NC)cc1 5548923 JEYNTZWOJSMVII-GDNBJRDFSA-N 265.382 2.705 30 40 CFEB C/C(=N\NC(=S)NCC(C)C)c1cccs1 4723048 XFTPWFPFLXNIIT-UKTHLTGXSA-N 255.412 2.592 30 40 CFEB O=C(O)c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 6896691 AMHMPLBSIACTMD-MHWRWJLKSA-N 299.355 2.705 30 40 CFEB Cc1csc([C@H](C#N)C(=O)COc2ccccc2)n1 3212244 BNFWBCPDJKMFLR-GFCCVEGCSA-N 272.329 2.707 30 40 CFEB C/C(=N\N1CCN(C)CC1)c1ccc2c3c(cccc13)CC2 10303684 MUUUQPFUXMFAPE-XSFVSMFZSA-N 293.414 2.910 30 40 CFEB N#Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 65478553 LMMNSCBHUPRMSB-UHFFFAOYSA-N 266.348 2.661 30 40 CFEB N#Cc1cccc(NC(=O)c2cc(Cl)nc(Cl)n2)c1 14134852 UZSOEFKOEARKFN-UHFFFAOYSA-N 293.113 2.907 30 40 CFEB C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc2ccccc2o1 7891615 MMTZBNQWANEYME-VCHYOVAHSA-N 282.303 2.661 30 40 CFEB C=C(Cl)CN(C)C1CCN(CCc2ccccn2)CC1 83855800 JPMUZEYMAUPESM-UHFFFAOYSA-N 293.842 2.773 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl 69595323 QHGWYTTYLJWDOG-MNOVXSKESA-N 280.755 2.916 30 40 CFEB Cc1nnc(-c2ccccc2C(=O)OCCCC#N)o1 97056438 MTZYCFZFOGFQFB-UHFFFAOYSA-N 271.276 2.506 30 40 CFEB Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)C#N)[C@H](C)CO1 76041210 DELMQCQWKBHWHR-UKRRQHHQSA-N 286.375 2.833 30 40 CFEB C=CCNC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C 28233979 MBJVYGFLRVAZER-SSDOTTSWSA-N 295.692 2.727 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccnc1 409049882 REXOSDKDZGCINI-DVZOWYKESA-N 289.154 2.796 30 40 CFEB NC(=N\Nc1ccccc1)/C(S)=N/Nc1ccccc1 4293434 JDRZNICJUFEHHZ-UHFFFAOYSA-N 285.376 2.726 30 40 CFEB biogenic CCOC(=O)[C@@H](C)Nc1cccc(OCCCC#N)c1 79354883 PVNHDCYMQCISSQ-GFCCVEGCSA-N 276.336 2.733 30 40 CFEB C=CCOc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1 216909738 BIAFPHJUHUOGMU-CYBMUJFWSA-N 274.364 2.532 30 40 CFEB CN(C)c1ccc(C#CCO[C@@H]2CCCCO2)cc1 95633019 BNXOIRVDULHMAK-MRXNPFEDSA-N 259.349 2.647 30 40 CFEB C=C(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 160646829 GDZOVXYILFZKQK-NSHDSACASA-N 253.342 2.779 30 40 CFEB CC(=O)N/C(C)=C1\CC[C@@H](c2ccccc2)CC1=O 5220475 IVTRYXURXVQWJI-XDPMZMSMSA-N 257.333 2.933 30 40 CFEB C[C@@H]1CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 13423813 IPZPPUJQQJARAE-CDWXYHGHSA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro CN1[C@H]2CC[C@@H]1/C(=C/c1ccc[nH]1)C(=O)/C2=C\c1ccc[nH]1 103811980 UTIVJFPJRPAEBG-VFJLHJQOSA-N 293.370 2.855 30 40 CFEB COc1cccc(COC(=O)c2cccc(C#N)c2)c1 40161649 DUEYBSKCGMCFRF-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB N#Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 50821999 DJBJZCXEWSEOFP-UHFFFAOYSA-N 277.327 2.758 30 40 CFEB N#CCCCN1CCN(c2ncc(Cl)cc2Cl)CC1 52040511 LXZIVOBPDQSXND-UHFFFAOYSA-N 299.205 2.814 30 40 CFEB C=C1C=CN(C(C)=O)[C@H](OC(C)=O)[C@H]1SC(C)(C)C 1755401 LSIDFOQNYZCLGQ-QWHCGFSZSA-N 283.393 2.708 30 40 CFEB N#Cc1cccnc1Nc1ccc(N2CCCC2=O)cc1 12554048 KOWNYGUXKQRJCJ-UHFFFAOYSA-N 278.315 2.824 30 40 CFEB N#Cc1ccc(NCc2ccc(Cn3cccn3)cc2)nc1 29527021 HIWZCTCSHVWANT-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB Cc1csc(N/N=C/c2ccc(C(=O)O)cc2)n1 4042681 AHCGRRQKKTUZSE-AWNIVKPZSA-N 261.306 2.596 30 40 CFEB CCc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1 14143970 CJMLTZDCNVOYLO-UHFFFAOYSA-N 295.371 2.884 30 40 CFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc2c(c1)OCCO2 6672244 RSKUYQJKXJUPAM-XDHOZWIPSA-N 298.346 2.701 30 40 CFEB C#CCOc1ccc(N(C)Cc2cc(C)on2)cc1 69975392 OYZVOPNXHCDVBP-UHFFFAOYSA-N 256.305 2.631 30 40 CFEB Cc1noc2nc(C3CC3)cc(C(=O)OCCCC#N)c12 97139561 YJNGUDDELBRSMP-UHFFFAOYSA-N 285.303 2.869 30 40 CFEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccncc1F 97135783 VVANGEFGLQNFFL-UHFFFAOYSA-N 284.294 2.756 30 40 CFEB N#Cc1cc(F)ccc1NC(=O)NCc1cccc(CO)c1 84367320 VLDOECQRRYCOPB-UHFFFAOYSA-N 299.305 2.511 30 40 CFEB CC(C)(C)NC(=O)CNc1ccc(C#N)cc1C(F)(F)F 77905828 DHIXPRMGYOPYLN-UHFFFAOYSA-N 299.296 2.904 30 40 CFEB COc1c(B2OC(C)(C)C(C)(C)O2)ccc(Cl)c1F 217472183 FSWCASDLFISHTF-UHFFFAOYSA-N 286.539 2.787 30 40 CFEB C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 96039593 ZAHICDYSYFJATM-DLBZAZTESA-N 291.391 2.853 30 40 CFEB CN(C[C@@H]1COc2ccccc2O1)c1cccc(F)c1C#N 58358205 FXGKDOAKKUMJAI-GFCCVEGCSA-N 298.317 2.974 30 40 CFEB N#CCCN1CCN(Cc2ccc(F)cc2Cl)CC1 42146251 CEIMMQYHUCANFD-UHFFFAOYSA-N 281.762 2.510 30 40 CFEB Cc1ccc(N2CCN(c3cccc(C#N)n3)CC2)c(C)c1 853977320 LCVKTFNAGDCJRF-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB C#Cc1cccc(NC(=O)c2c(C)nn(C)c2Cl)c1 23010230 MXMGVRPANDIZGR-UHFFFAOYSA-N 273.723 2.616 30 40 CFEB N#CCc1ccccc1C(=O)[C@@H]1OC(=O)c2ccccc21 3200783 XATJMEOFEVFWPA-MRXNPFEDSA-N 277.279 2.847 30 40 CFEB Cn1/c(=N\N=C\c2ccccn2)sc2ccccc21 100483556 UXZPTGQYQYBVQO-RTIZFMKRSA-N 268.345 2.570 30 40 CFEB C=CCN(CCc1ccccc1)C(=O)NCc1cc(C)on1 58245166 JDDSPAHJQXANRZ-UHFFFAOYSA-N 299.374 2.923 30 40 CFEB COc1ccc(CC(=O)Nc2cccc(C#N)c2)c(OC)c1 8304277 PJFFXGIAJPPKNM-UHFFFAOYSA-N 296.326 2.757 30 40 CFEB Cc1nscc1/C(O)=N/S(=O)(=O)[C@@H](C)CC(C)C 97138787 ABVFPSDEDUVIMV-QMMMGPOBSA-N 290.410 2.521 30 40 CFEB N#C[C@@H]1CCCC[C@H]1OC(=O)CCc1nc(C2CC2)no1 76090715 VCLFECHVMIDRJY-NWDGAFQWSA-N 289.335 2.505 30 40 CFEB CC(C)(C)SCCOC(=O)c1ccc(C#N)cn1 79037346 WSLWYFFAKKLROX-UHFFFAOYSA-N 264.350 2.642 30 40 CFEB Cc1cc(C)c(O)c(CN(CCC#N)CCC#N)c1 31648736 NXQQVMMOJJDRRC-UHFFFAOYSA-N 257.337 2.638 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc2ccccc12 131863304 IKDZZBHVCNJDJN-LBPRGKRZSA-N 295.342 2.539 30 40 CFEB COc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225873183 LOPDPEYKFZXEOZ-UHFFFAOYSA-N 261.712 2.652 30 40 CFEB O=C(/C=C/N1CCc2ccccc2C1)C(F)(F)F 6243434 ZWEGSPQJWXDCRR-SOFGYWHQSA-N 255.239 2.690 30 40 CFEB Cc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)o1 78818 VFAQKHZBOKAOSQ-UKTHLTGXSA-N 253.257 2.933 30 40 CFEB N#Cc1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 143618 BVEONMWOUBWLKT-UHFFFAOYSA-N 289.298 2.680 30 40 CFEB CC(=O)c1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1 551854 CIZJKIFEPNGTRI-UHFFFAOYSA-N 286.331 2.615 30 40 CFEB Cc1nscc1C(=O)OCc1cc(C#N)ccc1F 97080359 FQZVCGDWGCEXAL-UHFFFAOYSA-N 276.292 2.819 30 40 CFEB CC(=O)c1c(N)c(C#N)cn1-c1ccc(C)c(C)c1 8412949 INSNOCNLUYMXEU-UHFFFAOYSA-N 253.305 2.751 30 40 CFEB N#Cc1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1 25052622 YANHIRPSUMGLOG-UHFFFAOYSA-N 280.243 2.906 30 40 CFEB CCOC(=O)c1cccc([C@H](C#N)c2ccccc2)n1 72319861 KNFWODCGAQJLJN-CYBMUJFWSA-N 266.300 2.914 30 40 CFEB Cc1ccc(NC(=O)c2cccc(C#N)c2)c(O)c1 6947866 WVWYEUWGMJWBBS-UHFFFAOYSA-N 252.273 2.825 30 40 CFEB N#Cc1nccnc1N1CCSC2(CCCCC2)C1 80247528 YGCZMKZWCIKAHE-UHFFFAOYSA-N 274.393 2.604 30 40 CFEB N#Cc1cccc(Cl)c1N1CCC2(CC1)OCCO2 71893820 NGYLJFCONMTIJS-UHFFFAOYSA-N 278.739 2.555 30 40 CFEB C#CCNc1cccc(CS(=O)(=O)c2ccccc2)c1 83812686 ARFUCNHGXGQVNI-UHFFFAOYSA-N 285.368 2.706 30 40 CFEB CN(Cc1nnc2ccccn12)c1c(F)cc(C#N)cc1F 71904168 ZTCJRPNCQNUMNU-UHFFFAOYSA-N 299.284 2.516 30 40 CFEB CS(=O)(=O)CC1(CSc2ccccc2C#N)CCC1 95435608 NDQXOQYYTUGMNP-UHFFFAOYSA-N 295.429 2.865 30 40 CFEB C=C(Cl)COC(=O)c1ccc2c(c1)CCN2C(C)=O 95946886 XETDISAFCOLRQU-UHFFFAOYSA-N 279.723 2.505 30 40 CFEB N#Cc1cnn(-c2cc(Cl)cc(Cl)c2)c1N 32107764 SLNAEYPWVPWNBH-UHFFFAOYSA-N 253.092 2.633 30 40 CFEB CC[C@H](C)n1nc(OCc2ccccc2)c(C#N)c1N 225833408 DDFJJAONNLJDBF-NSHDSACASA-N 270.336 2.887 30 40 CFEB CCO[C@H](C)OCC#Cc1cc(F)ccc1OC 95633644 AIPHVGQGJBNKRD-NSHDSACASA-N 252.285 2.585 30 40 CFEB C=CCCC(=O)NC[C@@](O)(c1ccsc1)c1ccco1 820450779 ZXGBKXKCUKGRFK-OAHLLOKOSA-N 291.372 2.659 30 40 CFEB Cn1/c(=N/N=C/c2ccc(O)cc2)sc2ccccc21 12882835 ONAVVGHPKWACPG-PDTIZXBLSA-N 283.356 2.880 30 40 CFEB CN1CCN(CCCSCC#N)[C@@H](c2ccccc2)C1 108136833 ZBUPLRARGSJKSM-MRXNPFEDSA-N 289.448 2.622 30 40 CFEB Cc1cc(CNc2nnc(C)c(C)c2C#N)cc(C)c1O 52384363 FEGNYVCPXNKAAI-UHFFFAOYSA-N 282.347 2.900 30 40 CFEB C#CCN1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 981573 AHTVEKYNDGYNAB-UKTHLTGXSA-N 287.340 2.673 30 40 CFEB O=C(NO)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 1393372 JWJLPAFNHJCMJC-UHFFFAOYSA-N 292.222 2.645 30 40 CFEB N#CC1(C(=O)OCc2nnc(-c3ccccc3)o2)CCCC1 25049321 IEGVZSMUWMHYEW-UHFFFAOYSA-N 297.314 2.864 30 40 CFEB N#Cc1ccc(COC(=O)c2cc(Cl)c[nH]2)cc1 25193841 PSTYDZUICPRNJE-UHFFFAOYSA-N 260.680 2.897 30 40 CFEB COc1ccccc1COC(=O)COc1ccccc1C#N 3287128 FPMPKHULSWUBTK-UHFFFAOYSA-N 297.310 2.689 30 40 CFEB N#Cc1ccc(Cn2nc(-c3cccs3)ccc2=O)cc1 44920645 RHBQYTCTOOQZIE-UHFFFAOYSA-N 293.351 2.892 30 40 CFEB CN(C)[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 12974145 MEAPWYZAKUXJEV-QGZVFWFLSA-N 293.370 2.591 30 40 CFEB C/C(=N\NC(=S)NCc1ccco1)c1ccccc1 4567548 LTKMKEMGBDXLKR-LFIBNONCSA-N 273.361 2.668 30 40 CFEB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 5507705 ZLDHMAKXPZNWFV-LLVKDONJSA-N 286.331 2.619 30 40 CFEB CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 19846827 FKRGYEZKLGJVFO-LBPRGKRZSA-N 259.353 2.617 30 40 CFEB N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1 78604205 SEBBFPMXJGLDTF-KRWDZBQOSA-N 277.371 2.927 30 40 CFEB N#Cc1cc(C(=O)O)ccc1OCc1ccccc1 38540310 LSHOVMIYDITWFZ-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB CCc1cc(C)n(Cc2ccc(C(=O)O)cc2)c1C#N 78405281 YJYFJIUJDQSAJA-UHFFFAOYSA-N 268.316 2.977 30 40 CFEB CC[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CO1 72208072 UBMWZRIKUVTGMN-FZMZJTMJSA-N 255.358 2.813 30 40 CFEB CCCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084709 SKLBFEUBNQYEAO-ZROIWOOFSA-N 273.119 2.928 30 40 CFEB CCOc1cc([N+](=O)[O-])cc(C#N)c1OC(C)C 225291387 JZOXKIHMUNRWGI-UHFFFAOYSA-N 250.254 2.652 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCCC(=O)c1ccc(F)cc1 58380007 BXTNDVNBLUMQLV-AWEZNQCLSA-N 290.338 2.987 30 40 CFEB NC(=S)N/N=C/c1cccc(Oc2ccccc2)c1 48527 DHPYJAPCDSJVSO-MHWRWJLKSA-N 271.345 2.646 30 40 CFEB O=C(/C=C/C(=O)c1ccc(O)cc1)Oc1ccccc1 1595061 TYGRIELPKJNHJS-ZHACJKMWSA-N 268.268 2.737 30 40 CFEB C=Cc1ccc(NCn2cnc(SC)c(C#N)c2=O)cc1 33268082 FMTONPYSGYTJCD-UHFFFAOYSA-N 298.371 2.549 30 40 CFEB CO/C(O)=N/c1nnc(CCc2ccccc2)s1 3073324 VGWYFZATBRXEMW-UHFFFAOYSA-N 263.322 2.515 30 40 CFEB C[C@H]1C[C@@H](C)CN(CC(=O)NC2(C#N)CCCCCC2)C1 22841602 HRJWPBSNQMZIQH-GASCZTMLSA-N 291.439 2.697 30 40 CFEB CC1CCC(NC(=O)CSc2ncccc2C#N)CC1 7052023 GLNOYVNAFSNFMU-UHFFFAOYSA-N 289.404 2.740 30 40 CFEB Cc1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1 1250423 QCNYOBBFQKLOCI-LICLKQGHSA-N 295.371 2.819 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 10951228 CMZWXSWDFJQBEV-UHFFFAOYSA-N 289.404 2.594 30 40 CFEB C=C1C(=O)O[C@H]2C(=O)O[C@H](CCCCCCCC)[C@@H]12 3649988 GSTQYRQXFPSWSH-JHJVBQTASA-N 266.337 2.760 30 40 CFEB CCn1ncc(-c2c(C#N)c(N)nc3c2CCCC3)c1C 20601941 JRBGKTCBDDTHQL-UHFFFAOYSA-N 281.363 2.606 30 40 CFEB C=CCn1nnnc1NCc1ccc(Cl)c(Cl)c1 6856400 SXEFFRQGMOGWCT-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB CCC(C)(C)NC(=O)CSc1nc(C)cc(C)c1C#N 7097031 HPEISMVJISKSEI-UHFFFAOYSA-N 291.420 2.967 30 40 CFEB C#CCOc1ccc(F)cc1NC(=O)NCc1ccccn1 96435303 OHPREYFRSCEQFN-UHFFFAOYSA-N 299.305 2.554 30 40 CFEB N#Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 16471687 CEHFVPQKPFZLHC-INIZCTEOSA-N 262.312 2.976 30 40 CFEB Cc1ccc(CC(=O)N(CCC#N)Cc2cccnc2)s1 69581930 VEFNMDZXCLXHPP-UHFFFAOYSA-N 299.399 2.937 30 40 CFEB CC(C)Cn1c(C#N)cc(N)c1N1CCCCCC1 225872408 OOUORSYXSOJWJB-UHFFFAOYSA-N 260.385 2.978 30 40 CFEB Cc1cc(NC(=O)CC#N)ccc1C(=O)OC(C)(C)C 195567711 OYLOQHIDFURIJP-UHFFFAOYSA-N 274.320 2.803 30 40 CFEB C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 96182340 LJXQYLGPDVMGNL-DLBZAZTESA-N 284.403 2.557 30 40 CFEB CCCCC[C@H](O)C#Cc1cc(OC)ccc1OC 95632957 UKWQGRYRJCRNHL-AWEZNQCLSA-N 262.349 2.997 30 40 CFEB CC[C@@H]1CO[C@@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1565548632 GQBWBVBICLPQGN-KSSFIOAISA-N 298.386 2.518 30 40 CFEB CCCCCCCNCc1ccc2c(c1)n(C)c(=O)n2C 101349634 QJEDOHMGGUWYFU-UHFFFAOYSA-N 289.423 2.937 30 40 CFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccncc1)C2 22057904 SUVQWDLUAIFZKM-QPEQYQDCSA-N 281.311 2.921 30 40 CFEB C=CCN(Cc1cccs1)C(=O)Nc1nncs1 43130150 PQXPBUQHVLPBPC-UHFFFAOYSA-N 280.378 2.820 30 40 CFEB CCN1C(=O)/C(=C/c2ccc(C#N)cc2)SC1=S 1601298 POWQQQIAHKMUPI-XFFZJAGNSA-N 274.370 2.779 30 40 CFEB CN(C/C(=N\O)c1ccccc1)C(=O)c1ccccc1 104226024 WDVLWDTZNXBCSZ-BMRADRMJSA-N 268.316 2.637 30 40 CFEB C=CCN(CC(=O)N1CCC[C@@H](C)C1)C1CCCC1 58086805 PBXFSDFSBHBMFF-CQSZACIVSA-N 264.413 2.676 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(Cl)nc2)c1 19515799 QBULMVVLGNCQGQ-UHFFFAOYSA-N 256.692 2.969 30 40 CFEB CC[C@H](Cc1cccc(Br)c1)C(=O)NCC#N 96409498 KDEHHUTXVOSFGS-LLVKDONJSA-N 295.180 2.658 30 40 CFEB CCCCCCCOc1ccc(/C=N/NC(=N)N)cc1 408768805 KLLXUMGRFWMCMC-LDADJPATSA-N 276.384 2.853 30 40 CFEB Cn1cnnc1CSc1ccc(C#N)c(C(F)(F)F)c1 96500993 VXRFDFILBMIOOC-UHFFFAOYSA-N 298.293 2.998 30 40 CFEB CSC1=NC(C)=C(C(C)=O)[C@@H](c2ccco2)N1 408732319 ULJXDKYGLOVDRD-LLVKDONJSA-N 250.323 2.506 30 40 CFEB Cc1cccc([C@H]2C[C@H]2C(=O)OC2CCN(CC#N)CC2)c1 89669417 IYUDAESKVGGRGG-IAGOWNOFSA-N 298.386 2.630 30 40 CFEB CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCSC1 89937635 HAQLTPOWHQKFSC-LBPRGKRZSA-N 250.342 2.635 30 40 CFEB CC[C@@H](CC#N)NC(=O)c1cccc2cc(O)ccc12 521396435 XCLSVEGVBMULLR-LBPRGKRZSA-N 268.316 2.967 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)c1nccc2ccccc12 96502366 XOOMMLVFNZDETI-SNVBAGLBSA-N 292.360 2.668 30 40 CFEB CC[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccncc1 96439195 UURYETMJBRZISC-MRXNPFEDSA-N 294.358 2.904 30 40 CFEB CN(CC[C@H]1CCCCN1C)Cc1cccc(C#N)c1 32928728 OWLFLFCXFHGILN-QGZVFWFLSA-N 271.408 2.864 30 40 CFEB C#Cc1cccc(NC(=O)N[C@H](C)C(C)(C)CN(C)C)c1 79062332 LUUUDMISTYKIQJ-CYBMUJFWSA-N 287.407 2.766 30 40 CFEB COC(=O)[C@H]1O[C@@H]1c1cc(Cl)cc(Cl)c1OC 1704585 FTOYPHSRTPHZPU-ZJUUUORDSA-N 277.103 2.615 30 40 CFEB CC[C@H](C#N)S(=O)(=O)N(C)[C@H](C)c1cc(C)ccc1C 108134290 RNNPFVUWYGKOIM-ZIAGYGMSSA-N 294.420 2.928 30 40 CFEB CC1(C)CC(NC(=O)c2cccc(C#N)c2)CC(C)(C)N1 12944651 VGURFOUHPDRXCV-UHFFFAOYSA-N 285.391 2.597 30 40 CFEB N#Cc1ccccc1COC(=O)c1cn2ccccc2n1 6652735 KVAIKJGNORISTN-UHFFFAOYSA-N 277.283 2.563 30 40 CFEB CCN1CCc2c(sc(-n3cccc3)c2C#N)C1 6750385 XSYPNQJZJFQQLJ-UHFFFAOYSA-N 257.362 2.788 30 40 CFEB C=CCn1c(CC[C@@H](O)COCCCCC)n[nH]c1=S 5825011 YNJYJFXTTAVMHE-GFCCVEGCSA-N 299.440 2.627 30 40 CFEB COc1cccc(NC(=O)CNc2cccc(C#N)c2)c1 7974131 AJOMIYMGIOLCDX-UHFFFAOYSA-N 281.315 2.617 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)Nc2ccc(C#N)cn2)c1 69487709 VUDSGDKVANHZPI-NEPJUHHUSA-N 255.325 2.520 30 40 CFEB C=CCOc1nc2cc(OC)ccc2cc1/C=N/O 36624770 BVNGYISRQQAHDG-OQLLNIDSSA-N 258.277 2.616 30 40 CFEB C#CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344889 CFGWCJIGZAMJFS-NEPJUHHUSA-N 268.143 2.846 30 40 CFEB Cc1nn(CC(F)(F)C(F)(F)C(F)(F)F)cc1N 95094012 RMGSDNZYQKAXPQ-UHFFFAOYSA-N 279.159 2.607 30 40 CFEB N#Cc1cnn(-c2cc(Br)ccc2Cl)c1N 149838044 VAOHLBFMECTWDV-UHFFFAOYSA-N 297.543 2.742 30 40 CFEB O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccc(O)cc1 44012729 RFDALAGOIMHFBO-FPYGCLRLSA-N 295.342 2.679 30 40 CFEB CN(C)CCC/C=N\Nc1ccc(Cl)cc1[N+](=O)[O-] 5179605 XVWLEKVJMMJVCX-AUWJEWJLSA-N 284.747 2.988 30 40 CFEB C=CCN(CC=C)c1cc(Cl)c2nonc2c1[N+](=O)[O-] 5501232 JCFSPWQVHXTDHL-UHFFFAOYSA-N 294.698 2.963 30 40 CFEB O=C(O)c1ccc(N/N=C\c2cnc3ccccc3n2)cc1 33476215 XGRXKCALDQQDDR-ZDLGFXPLSA-N 292.298 2.774 30 40 CFEB Cc1cn(C)nc1C(=O)Nc1sc(C)c(C)c1C#N 36701862 SJPQUKXBFZBBNU-UHFFFAOYSA-N 274.349 2.531 30 40 CFEB Cc1ccc(S(=O)(=O)Nc2ccsc2C#N)cc1 3127507 CAKCPNQTYKVPFD-UHFFFAOYSA-N 278.358 2.729 30 40 CFEB CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F 3159954 VVMBYVDOZXJXRJ-UHFFFAOYSA-N 269.160 2.736 30 40 CFEB C=CCOc1c(Br)cc(C(=O)O)cc1OC 7604075 MEKHVZKJCWNRNN-UHFFFAOYSA-N 287.109 2.721 30 40 CFEB N#Cc1cc2c(nc1NC(=O)CCC(F)(F)F)CCC2 89818504 DWSLAZWDRSRDOU-UHFFFAOYSA-N 283.253 2.723 30 40 CFEB N#Cc1ccc(Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 14140984 KVSFAOCIDZPWIK-UHFFFAOYSA-N 295.273 2.562 30 40 CFEB CN(Cc1ccsc1)C(=O)c1ccc(C#N)cc1 14232170 NXSAVOHXRDSKFN-UHFFFAOYSA-N 256.330 2.892 30 40 CFEB CNc1snc(C)c1C(=O)OCc1cccc(C#N)c1 16554230 OUVFOGBGLRJLCG-UHFFFAOYSA-N 287.344 2.722 30 40 CFEB C#CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 71888145 KXCOFFVOFUQXRP-SJORKVTESA-N 292.338 2.836 30 40 CFEB C=C(C)COc1cc(CN2CCC[C@H](O)C2)ccc1OC 95982268 AGSDRIYEXMWSQT-HNNXBMFYSA-N 291.391 2.607 30 40 CFEB C#CCOC(=O)c1occc1COc1cccc(C#N)c1 72284563 MZZGDRMGCHVQIL-UHFFFAOYSA-N 281.267 2.520 30 40 CFEB Cn1cc(C#N)cc1C(=O)OCCSC(C)(C)C 83769294 NIFAFFWNWFNJRJ-UHFFFAOYSA-N 266.366 2.585 30 40 CFEB C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccc(C#N)cc1 126045996 OUNCFIVRQVMZTA-DYVFJYSZSA-N 297.402 2.610 30 40 CFEB COc1ccc(C(=O)O)cc1COc1ccc(C#N)cc1 34926090 QNLJQKJEAYNAKS-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB C=CCOc1ccc(C(=S)N2CCOCC2)cc1Cl 33712161 BBEIEZFFFNGNTA-UHFFFAOYSA-N 297.807 2.913 30 40 CFEB CCC(CC)c1cc(CNc2nccnc2C#N)on1 96429701 PCDDTHGWJDLUKD-UHFFFAOYSA-N 271.324 2.852 30 40 CFEB N#Cc1cccnc1NCCc1csc(N2CCCC2)n1 76063528 HEZWQLXRZOGZRR-UHFFFAOYSA-N 299.403 2.665 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1C 78441186 ZQMOMGZXPJDUSJ-WFASDCNBSA-N 271.364 2.888 30 40 CFEB N#CCNc1nc(-c2ccncc2)nc2ccccc12 97163711 LLAVFIYKLMNYEL-UHFFFAOYSA-N 261.288 2.627 30 40 CFEB Cc1cccc2c1NC(=O)/C2=N\c1ccccc1C(=O)O 4474038 BKCULIAKRGIZLH-UHFFFAOYSA-N 280.283 2.766 30 40 CFEB O=C(O)c1ccc(COc2ccccc2/C=N/O)cc1 567401 YKKLUCYHSGZYCQ-CXUHLZMHSA-N 271.272 2.772 30 40 CFEB Cn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O 3171986 RJDLLJINMGMHEZ-UHFFFAOYSA-N 278.233 2.943 30 40 CFEB C=CCOc1ccc(C(=O)NCCCOC(C)C)cc1 8493013 BIRQYGLZLZLCJX-UHFFFAOYSA-N 277.364 2.796 30 40 CFEB Cc1cc(C)nc(Nc2ccc([N+](=O)[O-])cc2C#N)n1 8703029 BUOJCETXBUSHDH-UHFFFAOYSA-N 269.264 2.617 30 40 CFEB C=CCn1/c(=N/C(=O)CC)sc2cc(OC)ccc21 100874981 LZHJXKMOPICMNZ-PFONDFGASA-N 276.361 2.735 30 40 CFEB C=CCc1cccc(/C=N/Nc2nc(C)cc(C)n2)c1O 4877991 VMMWJQKWUFQXME-LICLKQGHSA-N 282.347 2.974 30 40 CFEB C=CCNC(=S)N/N=C/c1ccccc1O[C@H](C)CC 408605226 XPTPHDVPNTWIOK-PBSOMRJOSA-N 291.420 2.848 30 40 CFEB CCOC(=O)c1cccc(/N=C\c2cccn2C)c1 409121205 XBTGIWQVEQCYGG-WJDWOHSUSA-N 256.305 2.952 30 40 CFEB C=CCCCCCCCCC(=O)NCCN1CCOCC1 31719722 DYKZMLNOCOXCRV-UHFFFAOYSA-N 296.455 2.742 30 40 CFEB CC1(C)OB(c2cnc(-c3ccncc3)s2)OC1(C)C 198095540 UBMDOASBWUROGA-UHFFFAOYSA-N 288.181 2.504 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2ccc(F)cc2)n1 223678256 ANUCJMCBJNWMHF-UHFFFAOYSA-N 288.351 2.772 30 40 CFEB COC(=O)[C@@]1(C)O[C@]1(C)c1ccc(Br)cc1 85658043 OICRRMZBDWQUHS-VXGBXAGGSA-N 285.137 2.626 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1ccc2ccccc2n1 42295875 XVVRHFDRWWNBCM-LBPRGKRZSA-N 267.332 2.857 30 40 CFEB N#CCCN(CCC#N)Cc1cc(Cl)cc2c1OCC2 97371878 LLNIZZUFJZEYBF-UHFFFAOYSA-N 289.766 2.904 30 40 CFEB COC(=O)c1ccccc1N(C)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 16188867 YYURIHLFLZKHSU-RKXAVVCSSA-N 288.347 2.538 30 40 CFEB C=CCOc1cccc(NC(=O)C2CCN(C)CC2)c1 73049446 BDGMBXFTPHSZPI-UHFFFAOYSA-N 274.364 2.532 30 40 CFEB N#Cc1c(NCCO)nc(-c2ccccc2)c2c1CCCC2 20827712 FPJBYIFMDWDZNS-UHFFFAOYSA-N 293.370 2.903 30 40 CFEB CCCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1 102983987 QDVREVGPHKHGRV-ZDUSSCGKSA-N 258.321 2.914 30 40 CFEB C#Cc1cccc(NCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 55768488 ZIAKIZKVSAGLBV-KBPBESRZSA-N 270.376 2.584 30 40 CFEB CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1(C#N)CCC1 48275079 LKMRDMYVOFSRHH-BQYQJAHWSA-N 285.303 2.513 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2[C@@H]3CC[C@@H]2C3)cc1 104187124 WAWLMCAKBFCUTI-VXGBXAGGSA-N 266.362 2.746 30 40 CFEB Oc1ccc(/C=N\CC/N=C/c2ccc(O)cc2)cc1 104033307 NCCUCIVXVPMMDU-MJZABRMRSA-N 268.316 2.636 30 40 CFEB CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 90060270 UAHPQOKWHRLYDB-ZDUSSCGKSA-N 287.363 2.681 30 40 CFEB N#CC1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCC1 68120748 QHMKRCCXFIRSLP-UHFFFAOYSA-N 287.750 2.926 30 40 CFEB Cc1ccc(/C=C/C(=O)c2ccccc(=O)c2O)cc1 19909626 XZMTZKGSYDQVET-ZHACJKMWSA-N 266.296 2.957 30 40 CFEB C=C(Cl)CSc1nnc(N(C)C)n1C(C)C 69777232 PXDCCEWHLIZWCI-UHFFFAOYSA-N 260.794 2.770 30 40 CFEB C/N=C(/NCCc1cccs1)NC1CCCCC1 72271897 BRVZFTDEGSIDBI-UHFFFAOYSA-N 265.426 2.788 30 40 CFEB C=CCC[C@@H](O)CN1CCC(C(=O)c2cccs2)CC1 95966278 AWQRKZZTDMXNAT-CQSZACIVSA-N 293.432 2.970 30 40 CFEB Cc1cc(C=NO)c(C)n1-c1cccc([N+](=O)[O-])c1 408766235 AOQXWARQQAAORH-UHFFFAOYSA-N 259.265 2.810 30 40 CFEB CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)F 216519231 JEJVQIBSZRRJSX-UHFFFAOYSA-N 260.627 2.721 30 40 CFEB C#CCOC(=O)c1cc(NC)ccc1N1CCC(C)CC1 226278850 LHWOKIPVIHCMHI-UHFFFAOYSA-N 286.375 2.755 30 40 CFEB CN(CCC#N)c1nc(-c2cccc(Cl)c2)no1 96482657 VLZOTERVGXDNTF-UHFFFAOYSA-N 262.700 2.740 30 40 CFEB Cc1c(C#N)c(N2C[C@@H](C)C[C@H](CO)C2)nc2ccccc12 591462693 JPIGVCAWUYDZPG-JSGCOSHPSA-N 295.386 2.870 30 40 CFEB C#Cc1cccc(NC(=O)/C=C/c2c(C)nn(C)c2C)c1 55455936 NLBKMJRLOVMZDP-MDZDMXLPSA-N 279.343 2.670 30 40 CFEB CC[C@](C)(O)CN(Cc1ccccc1)c1cnc(C#N)cn1 190396568 MSPAASDBQPVDQS-KRWDZBQOSA-N 296.374 2.516 30 40 CFEB Cc1cc(CN2CCC[C@H]2c2ccc(O)nn2)ccc1C#N 528785254 BLJZXOHTLQDGOR-INIZCTEOSA-N 294.358 2.699 30 40 CFEB NC(=O)C(=N/Nc1ccccc1)/N=N/c1ccccc1 102874620 NOGZBQFGZUFPOF-QJQDQWMRSA-N 267.292 2.681 30 40 CFEB COc1ccc(CC(=O)N(C)Cc2ccc(C#N)cc2)cc1 25114510 DODJEGCLYBSCPL-UHFFFAOYSA-N 294.354 2.768 30 40 CFEB S=C(N/N=C1/C[C@H]2C=CC[C@H]12)NC1CCCCC1 34882241 QOUPGYDICQPUFM-FZCVSMTESA-N 263.410 2.735 30 40 CFEB CN(C)C[C@H]1CCCC/C1=N/OC(=O)c1ccccc1 104281801 GWLJOTFLCRATTR-XEVXXXDWSA-N 274.364 2.951 30 40 CFEB N#Cc1cccc(NC(=O)NC[C@@H](O)c2cccc(F)c2)c1 58394374 GFRZSWZELFCUOX-OAHLLOKOSA-N 299.305 2.552 30 40 CFEB Cc1csc(NC(=O)/C=C/c2ccc(C#N)cc2)n1 9256754 OBANCTCMPUIMJD-VOTSOKGWSA-N 269.329 2.975 30 40 CFEB COc1ccc(/C=N/Nc2ccccc2C(=O)O)cc1 4737525 WUFSCZGAQIOILP-MHWRWJLKSA-N 270.288 2.839 30 40 CFEB C=CCNc1nnc(Sc2ncccc2[N+](=O)[O-])s1 9492738 GQTQOVVLIYWWGP-UHFFFAOYSA-N 295.349 2.590 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCCOc1cccc(F)c1 69421407 WHEJTSFVUVIWEW-ZDUSSCGKSA-N 278.327 2.793 30 40 CFEB Cn1cc(CCCNc2cc(Cl)ccc2C#N)cn1 71914516 VJOFNRDKWJLGQF-UHFFFAOYSA-N 274.755 2.990 30 40 CFEB N#Cc1cccc(OCCCN[C@@H](CO)c2ccccc2)c1 95462551 LQGHLBUFRJQDCI-SFHVURJKSA-N 296.370 2.650 30 40 CFEB C(=N\NC1=NCCCCN1)\c1ccc2ccccc2c1 31862399 CRZIFQBLHXXMCS-UNOMPAQXSA-N 266.348 2.503 30 40 CFEB N#Cc1ccc(NC(=O)c2cccnc2)cc1Cl 32990976 UIVAAOMQQSOCPC-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB N#Cc1ccc(NCc2ccccc2-n2cccn2)nc1 40495712 YKGSTLRTXCMYPE-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(C#N)cc1 40497830 HXHPPZZZYCKEGL-GFCCVEGCSA-N 280.331 2.968 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)Cc1ccc2c(c1)CCC2 58296991 VPZRXKIIGUAIRP-CYBMUJFWSA-N 270.376 2.726 30 40 CFEB C=CCN/C(S)=N/N=C/c1cccc(OCCC)c1 5237090 LQPSJGGDFFYHHF-LFIBNONCSA-N 277.393 2.871 30 40 CFEB COc1ccc(-c2nnc(S[C@@H](C)C#N)o2)cc1 2659088 WZCMVYAQMLQSQC-QMMMGPOBSA-N 261.306 2.749 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(F)cc1 620317012 CMEGKYPDHAQFMP-OKILXGFUSA-N 275.323 2.914 30 40 CFEB COc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 46439677 PUIFWAQKESQKPW-CYBMUJFWSA-N 252.273 2.580 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H]2CC[C@H]1C2 102384646 COKGPEAGXPPADQ-STQMWFEESA-N 295.342 2.875 30 40 CFEB S=C(NCCc1ccccc1)N/N=C/c1ccsc1 3259145 XWCMOAKRURVVMT-MHWRWJLKSA-N 289.429 2.789 30 40 CFEB N#CCN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 26459073 BZGORXDNFNFXAU-GFCCVEGCSA-N 298.173 2.920 30 40 CFEB CN(C)[C@H](CNc1ncccc1C#N)c1cccs1 44866697 IYCDHPASVFUZKS-GFCCVEGCSA-N 272.377 2.730 30 40 CFEB Cc1nn(C)c(C)c1Nc1ccc(C#N)cc1[N+](=O)[O-] 29164875 MKMBFFCZTFGIIX-UHFFFAOYSA-N 271.280 2.560 30 40 CFEB C/C(=N\N=c1/[nH]c(C)c(C)s1)c1cccc([N+](=O)[O-])c1 4380403 JCBVBWQENIYFBM-OQLLNIDSSA-N 290.348 2.926 30 40 CFEB C[C@H]1CN(Cc2ccccc2C#N)CCN1c1nccs1 95351810 GZJXPIVZSIRSRL-ZDUSSCGKSA-N 298.415 2.725 30 40 CFEB C[C@@H](OC(=O)c1ccc2nncn2c1)c1ccc(C#N)cc1 96451155 PJTBBZNNDPYGTD-LLVKDONJSA-N 292.298 2.519 30 40 CFEB C=CCCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC 75092820 DCHIZWRRTWNUNP-DOMZBBRYSA-N 275.348 2.619 30 40 CFEB CSC[C@H](CCO)Nc1ccc(C#N)c(Cl)c1 77236708 WPTBDXDSKTVDOS-NSHDSACASA-N 270.785 2.738 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)/C=C/c1nc2ccccc2o1 40119505 SNOZEHQDMUZOTO-BCPZQOPPSA-N 283.331 2.849 30 40 CFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(C#N)cc1 20754131 RMVTXNTURCRNEX-XDHOZWIPSA-N 265.320 2.801 30 40 CFEB N#CCSCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 47372379 XXPSVUDAYYZIQI-VIFPVBQESA-N 299.277 2.533 30 40 CFEB C=CCCC(=O)CC(O)(C(F)(F)F)C(F)(F)F 1639251 JKZULGZFOFPAFP-UHFFFAOYSA-N 264.165 2.768 30 40 CFEB N#Cc1ccc(O[C@@H]2CCCC[C@H]2O)c(Cl)c1 42410905 VGBAQBOEHPPUEB-DGCLKSJQSA-N 251.713 2.894 30 40 CFEB N#Cc1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1 37749052 OJBHGECNGBXSOT-INIZCTEOSA-N 270.307 2.521 30 40 CFEB CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 97144900 KPITZWOXRYQAQQ-MRVPVSSYSA-N 251.311 2.630 30 40 CFEB CCCCCCCCCCS(=O)(=O)N[C@@H](C)C(=O)O 100922005 XPNMMMISOBFPAY-LBPRGKRZSA-N 293.429 2.520 30 40 CFEB CN(C)C(=O)c1cccc(CS/C(N)=N/C(C)(C)C)c1 60511591 KKVOKZSWIBAOAJ-UHFFFAOYSA-N 293.436 2.735 30 40 CFEB Cn1cc(/C=C2/CSc3ccccc3C2=O)cn1 96939771 SOOIJCYJSQPBRS-WDZFZDKYSA-N 256.330 2.792 30 40 CFEB C[C@@H](C#N)Sc1nc(=N)c2c3c(sc2[nH]1)CCCC3 14093105 RPNGVSHMMVYOSF-ZETCQYMHSA-N 290.417 2.987 30 40 CFEB COc1ccc(/C=N/C[C@H]2COc3ccccc3O2)cc1 15931150 ZXCNJOYESMHLQH-ZNBBLSJYSA-N 283.327 2.954 30 40 CFEB N#CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 17173202 CVUOJHAPCQXLOU-ZDUSSCGKSA-N 295.298 2.577 30 40 CFEB C[C@@H](C#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 21254696 OUYGJULKJIUJCC-JTQLQIEISA-N 269.300 2.919 30 40 CFEB N#CCCCCN1CCCN(c2nc3ccccc3[nH]2)CC1 69845293 IKVGIARBYGTZPA-UHFFFAOYSA-N 297.406 2.769 30 40 CFEB C/C(=N/NC(N)=S)c1ccc(OCc2ccccc2)cc1 89286579 AIMQCGYMUPTZHU-PDGQHHTCSA-N 299.399 2.823 30 40 CFEB CC[C@@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CO1 72208019 VUZWNBKWDQMESA-FZMZJTMJSA-N 255.358 2.955 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(Cn3cccn3)o2)c1 36397531 MNMFKPMXSGVVOV-UHFFFAOYSA-N 291.310 2.758 30 40 CFEB CCc1ccc(C(=O)/C=C\Sc2nncn2C)cc1 16161467 BQASDDZFHYHPLQ-HJWRWDBZSA-N 273.361 2.866 30 40 CFEB O=C(O)c1ccc(COc2cccc(/C=N\O)c2)cc1 19809620 SASMDDRZXNRSJR-SXGWCWSVSA-N 271.272 2.772 30 40 CFEB O=C(NCC#Cc1ccccc1)NCc1ccccc1F 40071269 JLGUIROKOYKFKC-UHFFFAOYSA-N 282.318 2.677 30 40 CFEB CC1=CC(C)(C)N2C(=O)/C(=N\N)c3c(C)c(C)cc1c32 100492673 XTNKONNFINNJTE-AQTBWJFISA-N 269.348 2.508 30 40 CFEB N#Cc1cccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 298091 RRPKQLGKLCXVDR-CAOOACKPSA-N 295.254 2.946 30 40 CFEB Cc1c(O)ccc2c1O/C(=C/c1cccnc1)C2=O 32627175 LRDGARJOLZMYEK-NTUHNPAUSA-N 253.257 2.712 30 40 CFEB N#Cc1cccc(C(=O)N2CCOc3ccccc32)c1 33167970 YTGDSDKEOMISRE-UHFFFAOYSA-N 264.284 2.597 30 40 CFEB COc1cccc(/C=N/n2cnc3ccccc32)c1OC 531102 HLPQYHAGQBGRBI-VCHYOVAHSA-N 281.315 2.936 30 40 CFEB O=C(c1ccc(Cl)cc1)[C@@H]1O[C@@]12C(=O)Nc1ccccc12 1616317 JGPRLTQNSPLADH-GOEBONIOSA-N 299.713 2.769 30 40 CFEB Cc1cccc(CSC/C(O)=N/c2ncn[nH]2)c1 23143316 QZEMBRFOCKBNEU-UHFFFAOYSA-N 262.338 2.635 30 40 CFEB O=C(COc1ccc(/C=N\O)cc1)Nc1ccc(F)cc1 109642628 SHBXQLRBDQEEMU-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB N#CCOc1ccc(C(=O)c2ccc(F)cc2)cc1 3444860 YLXIODVTUUJFII-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 6161436 LHVDCWIQMHYAPL-UHFFFAOYSA-N 289.294 2.652 30 40 CFEB C[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2)o1 6125382 FVSJVYQTSUKEBJ-NSHDSACASA-N 271.272 2.927 30 40 CFEB C=CCCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 71908846 QYJHAVJWDQIUQQ-UHFFFAOYSA-N 291.738 2.972 30 40 CFEB Cc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])s1 409107484 WBSKGKAVYVJZOT-NTUHNPAUSA-N 262.294 2.806 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(F)c1 36619634 UARXZOHVNJYRCN-CYBMUJFWSA-N 277.295 2.520 30 40 CFEB O=C(OCc1ccccc1)N1CC[C@@H](CS)C1 79437022 YMMWUFBUDSWXEP-GFCCVEGCSA-N 251.351 2.575 30 40 CFEB Cn1cccc1[C@H](C#N)N1CCc2ccccc2C1 34936203 KGJMLHCCSMBQNU-INIZCTEOSA-N 251.333 2.648 30 40 CFEB CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC#N)C1CC1 69619618 XZOAGOFAZHZQOF-UHFFFAOYSA-N 289.335 2.870 30 40 CFEB C[C@H](C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 44699430 LXXANTDQIIXQBZ-GFCCVEGCSA-N 279.347 2.755 30 40 CFEB in-vitro CCN(CC)c1c(N)cc(C#N)n1Cc1ccccc1F 225864258 YCECCLYVXYKDGO-UHFFFAOYSA-N 286.354 2.976 30 40 CFEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2Cc1sccc1C 96065700 RNZKOLYFJARJLO-DZKIICNBSA-N 293.432 2.991 30 40 CFEB N#CC1(c2ccc(I)cc2)CC1 95642963 NYALZYNMNOTLSH-UHFFFAOYSA-N 269.085 2.846 30 40 CFEB COC(=O)CN(Cc1ccccc1C(C)(C)C#N)C1CC1 96480660 TWEWEMNTBQEBJX-UHFFFAOYSA-N 286.375 2.625 30 40 CFEB N#Cc1cc(F)cc2c(I)c[nH]c12 575442758 WAFZSORIKIIFLF-UHFFFAOYSA-N 286.047 2.783 30 40 CFEB C=C(C)CN1CCC(C(=O)OC)(c2ccccc2)CC1 69537448 QWPFJKMJKGUUGO-UHFFFAOYSA-N 273.376 2.769 30 40 CFEB C#CCNC(=O)[C@@H](C)S[C@H](C)c1ccccc1F 56261407 BYGUTSWLUYHPGV-GHMZBOCLSA-N 265.353 2.758 30 40 CFEB Brc1ccc(/C=N/c2ncccn2)cc1 3121573 WEVHFUXNMFWXSL-OVCLIPMQSA-N 262.110 2.990 30 40 CFEB O=C1c2ccccc2CC[C@]12O[C@H]2c1ccccn1 13283795 XUXDNOQVOHCPEV-HOTGVXAUSA-N 251.285 2.721 30 40 CFEB Cn1c(N/N=C/c2ccc(O)cc2)nc2ccccc21 7343316 NMMXEYSFQWKYCP-MHWRWJLKSA-N 266.304 2.725 30 40 CFEB CS(=O)(=O)O[C@H]1CCCC[C@H]1c1ccccc1 1706516 QDTSLCFOVSACBX-STQMWFEESA-N 254.351 2.689 30 40 CFEB N#Cc1cc(-c2ccccc2C(F)(F)F)c[nH]c1=O 64220241 LUQMMAVCXNRFCT-UHFFFAOYSA-N 264.206 2.932 30 40 CFEB COCCOc1nc(-c2ccco2)c2c(c1C#N)CCC2 12324668 WVPWYLBNFBXUOR-UHFFFAOYSA-N 284.315 2.727 30 40 CFEB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(C#N)c1 84637087 KGGDQTNKZXYDJU-GUYCJALGSA-N 294.354 2.800 30 40 CFEB N#Cc1ccc(CCC(=O)NCCc2cccs2)cc1 10745022 XRBXPRWBZJQQND-UHFFFAOYSA-N 284.384 2.911 30 40 CFEB N#C[C@H](COC(=O)c1ccoc1)Cc1cccs1 95452832 VRWCWAIPBCODTA-SNVBAGLBSA-N 261.302 2.880 30 40 CFEB N#Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2ccccn2)cc1 49456544 YPHBJKGKISPRTL-HVHJFMEUSA-N 273.295 2.843 30 40 CFEB N#Cc1cnn(-c2ccccc2)c1NCc1ccncc1 4709864 CTCWTHAURHEBIY-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB C=CCN1CCC(Nc2cnc3ccccc3n2)CC1 69844476 BDLTTXGASJGNNE-UHFFFAOYSA-N 268.364 2.692 30 40 CFEB Cc1nn(C)c(C)c1/N=C/c1ccc(N(C)C)cc1 408974257 DPBQAKFVAKFMKX-MHWRWJLKSA-N 256.353 2.854 30 40 CFEB N#CCN1CCO[C@@H](c2nc(-c3ccccc3)cs2)C1 65466215 VKYGWSDTSVKOBA-CQSZACIVSA-N 285.372 2.707 30 40 CFEB CCc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1 409355252 CKZYAFLSSIFBST-UHFFFAOYSA-N 293.326 2.547 30 40 CFEB N#Cc1cccnc1Sc1ncn(-c2ccccc2)n1 78744309 HJONLEMHDXLEMV-UHFFFAOYSA-N 279.328 2.685 30 40 CFEB CCCNc1nn(-c2ccc(CC)cc2)nc1C#N 256045873 BLOZAKARMGINBS-UHFFFAOYSA-N 255.325 2.523 30 40 CFEB CCCC/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)O 5781941 LGNIJSJHMTUWHN-KAMYIIQDSA-N 265.269 2.638 30 40 CFEB CCNC(=S)N/N=C/c1cccn1-c1ccc(C)cc1 6350258 WPMZADHDZKFKOU-GZTJUZNOSA-N 286.404 2.604 30 40 CFEB COc1cccc(CC(=O)Nc2sccc2C#N)c1 9154612 CKAIUSPPNDBZHH-UHFFFAOYSA-N 272.329 2.810 30 40 CFEB Cc1cc(C)cc(CSc2ncc(C#N)c(N)n2)c1 9119214 GJWRSTYPFWXTLG-UHFFFAOYSA-N 270.361 2.840 30 40 CFEB C(#CCN1CCCCC1)COCC#Cc1ccccc1 1786448 XZNLSMREXZGBRO-UHFFFAOYSA-N 267.372 2.544 30 40 CFEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)c1ccoc1 58179706 KEYHDAPIYBNFOS-ZDUSSCGKSA-N 292.298 2.565 30 40 CFEB C[C@@H](Oc1cccc(C(=O)/C=C/c2cccnc2)c1)C(=O)O 68726521 KPSHSPSSUDWAJL-ABZNLYFFSA-N 297.310 2.830 30 40 CFEB N#C[C@@H](NC(=O)c1cc2ccccc2s1)[C@H]1CCOC1 69487445 PZCHHPUHNCICQZ-NWDGAFQWSA-N 286.356 2.560 30 40 CFEB C#CCCCOC(=O)[C@H](c1ccccc1)N(C)CC 95452410 QREREAQBNHPMLR-HNNXBMFYSA-N 259.349 2.636 30 40 CFEB Cc1cccc(OCCn2c(C#N)cc(N)c2C)c1 225861774 JMIQAUNVKQXANB-UHFFFAOYSA-N 255.321 2.638 30 40 CFEB CO[C@H]1CCCCC[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] 95414966 LAQXDBVCWZDKMR-RYUDHWBXSA-N 290.323 2.621 30 40 CFEB N#Cc1cc(O[C@@H]2CCSC2)nc2ccccc12 585650642 CYBMJLZYCTULIA-LLVKDONJSA-N 256.330 2.991 30 40 CFEB CCCCC[C@@H](/C=N\N)C(O)(C(F)(F)F)C(F)(F)F 17222890 WAESTWWBMWLUAV-URTSMCJISA-N 294.239 2.983 30 40 CFEB Cc1ccc(-c2nnc(O)n2/N=C/c2ccccc2O)cc1 1650114 XUQJUCVDMIHNCH-LICLKQGHSA-N 294.314 2.547 30 40 CFEB O=C(/C=C/c1ccccn1)c1ccc2c(c1)OCCO2 32115017 GOYRAMFKVRFZJL-AATRIKPKSA-N 267.284 2.749 30 40 CFEB CC1CCN([C@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 3538744 YSDKLPCISPJODJ-CYBMUJFWSA-N 271.364 2.617 30 40 CFEB CCN(CC)CCOc1ccc(/C(C)=N\O)cc1 13816233 AOQGEVJQKKBQQP-QINSGFPZSA-N 250.342 2.605 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccccc2C(=O)O)C(=O)C1 100731446 BYSUDASOSGOPPF-UHFFFAOYSA-N 287.315 2.639 30 40 CFEB biogenic CS(=O)(=O)O[C@H]1CCCSc2ccccc21 1706523 JLGSQTMMJRCNDH-JTQLQIEISA-N 258.364 2.590 30 40 CFEB CC(C)(CO)/N=C\c1cccc(Br)c1 100523448 IPJABRYWAOWJQI-QPEQYQDCSA-N 256.143 2.639 30 40 CFEB Cc1csc(C/C(N)=N/OCc2ccc(Cl)cn2)n1 95997157 DMHMEKJFLZMWHL-UHFFFAOYSA-N 296.783 2.531 30 40 CFEB N#Cc1ccc(NC(=O)CNCc2ccccc2Cl)cc1 57699029 YCBLWFIKNPJWRH-UHFFFAOYSA-N 299.761 2.940 30 40 CFEB CCCOc1nc2ccccc2cc1/C=C/C(=O)NCC#N 65515744 ABFQKJHKXWASCN-BQYQJAHWSA-N 295.342 2.677 30 40 CFEB Cc1cnc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 14686230 LMHUZQAUNVARHM-UHFFFAOYSA-N 272.695 2.562 30 40 CFEB CCN(C(=O)[C@@H]1OCC[C@@H]1C)c1ccc(C#N)c(Cl)c1 91207025 NPJJIXAQXLDUGH-IINYFYTJSA-N 292.766 2.990 30 40 CFEB C=C(C)CSCC(=O)Nc1ccc(OC)cc1 75092349 ZJENKBULEBQLQJ-UHFFFAOYSA-N 251.351 2.943 30 40 CFEB C=CCOc1cccc(/C=C2/SC(=O)N(C)C2=O)c1 409340336 VLEMDITWLQTDPS-FMIVXFBMSA-N 275.329 2.918 30 40 CFEB CN(C)CC#CCNC(=O)c1ccc(-c2ccccc2)cc1 75164302 JZVMLJXLMZQOMI-UHFFFAOYSA-N 292.382 2.648 30 40 CFEB Cc1ccc(C(=O)O/N=C(\N)Cc2ccccc2)cc1 226102586 XISJTWIROICXLD-UHFFFAOYSA-N 268.316 2.667 30 40 CFEB CC(C)(C)OC(=O)N1[C@@H](CCCC=O)COC1(C)C 1772715044 OLCJXNPKDPAKOR-NSHDSACASA-N 271.357 2.728 30 40 CFEB O=C(/C=C/c1ccc2c(c1)CCO2)c1cccnc1 33374285 GWXMGFPGUUAJIM-HWKANZROSA-N 251.285 2.913 30 40 CFEB N#Cc1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N 22022912 QMYJOTTXBHLKNB-UHFFFAOYSA-N 291.339 2.871 30 40 CFEB CC[C@H]1CO[C@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1565548634 GQBWBVBICLPQGN-RDTXWAMCSA-N 298.386 2.518 30 40 CFEB C=CCN1CCO[C@@H]2CCN(CC3CCCCC3)CC[C@@H]21 2055745801 CBASWSPIOUPZEU-ZWKOTPCHSA-N 292.467 2.918 30 40 CFEB CN(C)[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 20093909 MGKTXDIDKWJTMI-SFHVURJKSA-N 279.387 2.951 30 40 CFEB C[C@@H]1[C@@H](NC(=O)COc2ccccc2C#N)CCC[C@H]1C 102444491 QNMCZQYMRXCADO-IPYPFGDCSA-N 286.375 2.878 30 40 CFEB CC(C)n1cc(Nc2ccc([N+](=O)[O-])cc2C#N)cn1 61683715 YESHKZJZTRZHNO-UHFFFAOYSA-N 271.280 2.987 30 40 CFEB CSCC(=O)Nc1ccccc1SCC#N 47895625 UXGXPODFXLXWMY-UHFFFAOYSA-N 252.364 2.604 30 40 CFEB O=C1/C(=N\O)[C@H](c2ccccc2)Oc2ccccc21 101506683 UPAMVIOAWHMBTC-XERWBJCMSA-N 253.257 2.833 30 40 CFEB Cc1cccc(-c2nc(C#N)c(NCCCN(C)C)o2)c1 2368841 IAQKNGGQMHTADZ-UHFFFAOYSA-N 284.363 2.885 30 40 CFEB Cc1nnc(N2CCc3ccccc3C2)c(C#N)c1C 12949311 CXXBUOMFEPBIFC-UHFFFAOYSA-N 264.332 2.528 30 40 CFEB N#Cc1c(N2CCCC2)cc(-c2ccccc2)oc1=O 38285432 HOKXHJKMZVTIJZ-UHFFFAOYSA-N 266.300 2.779 30 40 CFEB CN(C(=O)c1csc(-c2ccco2)n1)C1(C#N)CCC1 49314007 XBFMFOXFIPJFKQ-UHFFFAOYSA-N 287.344 2.921 30 40 CFEB CCOc1ncccc1C(=O)Nc1cccc(C#N)c1 6537071 VMJIPYYHLRVLGG-UHFFFAOYSA-N 267.288 2.604 30 40 CFEB C=CCNC(=O)CCC(=O)N[C@H](C)CCCCCC 4672747 IOGYDOGXCSMMBY-CYBMUJFWSA-N 268.401 2.544 30 40 CFEB Cc1noc(C)c1CCC(=O)Nc1sccc1C#N 6882367 JTXMDRVCMNXPQW-UHFFFAOYSA-N 275.333 2.796 30 40 CFEB COc1ccccc1CN(CCO)Cc1ccc(C#N)cc1 69351048 GJBOQBVSZJBFHG-UHFFFAOYSA-N 296.370 2.561 30 40 CFEB N#Cc1cc(C#N)c(S[C@@H]2C=CCCC2)nc1N 20528341 DZANITJRWXPXSI-LLVKDONJSA-N 256.334 2.608 30 40 CFEB COc1ccsc1C(=O)Nc1cc(C#N)ccc1O 75093116 IRQMYAJIHWWKHR-UHFFFAOYSA-N 274.301 2.586 30 40 CFEB Cc1nc2ccccc2n(Cc2ccc(C#N)cc2)c1=O 48463180 OQTBEXRLKPSNRV-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB C[C@@H](CNc1nccnc1C#N)c1nc2ccccc2o1 96446575 ZBKCAMDEGUEZIA-JTQLQIEISA-N 279.303 2.705 30 40 CFEB CCC/N=C/c1c(NCCC)nc2ccc(C)cn2c1=O 96517686 IFTMYXQHUOUPQC-LICLKQGHSA-N 286.379 2.654 30 40 CFEB Clc1ccc(CN2CC[C@@H]3O[C@H]3C2)c(Cl)c1 252486291 HVFCKPNHQUHCDI-RYUDHWBXSA-N 258.148 2.967 30 40 CFEB N#Cc1ncccc1N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1776008415 DHSMBJVNBCEYEF-STQMWFEESA-N 279.347 2.522 30 40 CFEB N#Cc1ncn(Cc2cccc(OCc3ccccc3)c2)n1 58183911 PWYVDCZYTMNCGB-UHFFFAOYSA-N 290.326 2.777 30 40 CFEB COc1ccccc1CSc1nccnc1C#N 89473779 YKRYXJQAKWMVLH-UHFFFAOYSA-N 257.318 2.649 30 40 CFEB COCCN(Cc1ccccc1C#N)[C@H]1CCSC1 95446679 BPMNVAOEQIRLTI-HNNXBMFYSA-N 276.405 2.512 30 40 CFEB N#Cc1ccccc1NC(=O)CNc1ccccc1 6616102 WTTAHCUYHRSBHS-UHFFFAOYSA-N 251.289 2.609 30 40 CFEB Sc1nnc(C2CCCCC2)n1/N=C\c1ccccn1 1304982 UFZAMKZXLBAXPF-YBEGLDIGSA-N 287.392 2.892 30 40 CFEB CCNc1oc(COc2ccccc2F)nc1C#N 534323 WVFXPHRZWYQRMC-UHFFFAOYSA-N 261.256 2.696 30 40 CFEB O=C1C=C/C(=N\Nc2ccc3c(c2)OCO3)c2ccccc21 103438091 IGXLYYQWENIWKV-XMHGGMMESA-N 292.294 2.984 30 40 CFEB CCCCC/C(O)=N/S(=O)(=O)c1sc(C)nc1C 78987723 CTSRJDZPFMREPC-UHFFFAOYSA-N 290.410 2.985 30 40 CFEB CC(C)Cc1noc(CN(C)Cc2cccc(C#N)c2)n1 26329666 LBJMCRYTOMBVCE-UHFFFAOYSA-N 284.363 2.772 30 40 CFEB CCc1nnc(S)n1/N=C/C1=CC[C@@H]2C[C@H]1C2(C)C 24037314 SHUBJSLWSGLJQH-VTVUARRKSA-N 276.409 2.956 30 40 CFEB CCc1nc2ccccc2c(C(=O)OCC#N)c1C 2665110 VBLVZPQEOBWKAA-UHFFFAOYSA-N 254.289 2.786 30 40 CFEB N#Cc1cc(Br)ccc1NCCn1ccnc1 97115223 WOVMTGAYDDDECI-UHFFFAOYSA-N 291.152 2.629 30 40 CFEB N#Cc1cccnc1N1CCC[C@@H]1c1ccccn1 48962554 ZLJPFWIRTROTNQ-CQSZACIVSA-N 250.305 2.690 30 40 CFEB Cc1nc(SCC(=O)NCC(C)C)c(C#N)c(C)c1C 5089211 PZRDCEOSPJURPI-UHFFFAOYSA-N 291.420 2.743 30 40 CFEB COc1ccc(-c2nnc(S[C@H](C)C#N)o2)c(OC)c1 5392092 OSAKTOSKLBARDK-MRVPVSSYSA-N 291.332 2.758 30 40 CFEB CC(C)(O)c1c(Br)ccc(C#N)c1F 72233508 MMVBJAFTGGAVNB-UHFFFAOYSA-N 258.090 2.687 30 40 CFEB C[C@@H](CO)Nc1c(C#N)cnc2ccc(OC(F)F)cc12 91485297 PHHHBCRTHZPVFI-QMMMGPOBSA-N 293.273 2.501 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 12986007 YAHAEAVJWKQWJB-UHFFFAOYSA-N 293.322 2.620 30 40 CFEB C=C(Cl)CSc1nnc(NC[C@@H]2CCCO2)s1 21737885 KWDHTBRUFYQWRD-QMMMGPOBSA-N 291.829 2.974 30 40 CFEB COc1cccc(/C=N/OCc2c(C)noc2C)c1OC 23985822 YAKFBGFQIPVMGU-LZYBPNLTSA-N 290.319 2.859 30 40 CFEB CC(=O)Nc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4855212 DGCXHDZVUGUULY-MHWRWJLKSA-N 298.302 2.999 30 40 CFEB CC[C@H](CCO)CNc1ccc2cc(C#N)ccc2n1 92920805 NXOGGGLOIIHEGE-GFCCVEGCSA-N 269.348 2.927 30 40 CFEB N#CCC[C@@H](C#N)Cn1cnc2c(oc3ccccc32)c1=O 9254148 WIOKMIBUFBNNRB-NSHDSACASA-N 292.298 2.586 30 40 CFEB NC1=N/C(=N\c2ccc(F)cc2F)c2ccccc21 14543839 LPEDMYLDVWPOEA-UHFFFAOYSA-N 257.243 2.762 30 40 CFEB Cc1ccc(C[C@H]2S/C(=N/c3ccccn3)NC2=O)cc1 5738538 VTSLUUJUPZFKPH-CYBMUJFWSA-N 297.383 2.852 30 40 CFEB aggregator N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCCC2 5772713 NMVZKDYVKBBPTJ-UHFFFAOYSA-N 279.343 2.899 30 40 CFEB N#Cc1cc(F)ccc1N[C@@H]1c2ccccc2C[C@@H]1O 80584192 RRKVJSPPDGOYSL-JKSUJKDBSA-N 268.291 2.768 30 40 CFEB CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(C#N)cn2C)C1 81155374 XTKPEEXRTKWKAH-UONOGXRCSA-N 273.380 2.841 30 40 CFEB CN(CC(=O)Nc1cccc(C#N)c1)c1ccccc1 16446067 DPWAYIXWBGEFQT-UHFFFAOYSA-N 265.316 2.633 30 40 CFEB Cc1ccccc1CNC(=O)CNc1ccc(C#N)cc1 24229462 SFRJZZYSVMAVEX-UHFFFAOYSA-N 279.343 2.595 30 40 CFEB N#Cc1ccc(OCC(F)(F)C(F)F)cc1C#N 2568413 GRGLGCUTWCKKOQ-UHFFFAOYSA-N 258.174 2.709 30 40 CFEB CC(=O)/C(=C\C1=CCCO1)C(=O)Nc1ccccc1C 1624106 VLKGWHAWNPAHOX-GXDHUFHOSA-N 271.316 2.753 30 40 CFEB C[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](C)(C)C 100757764 MTKDXEQLJAGGHQ-VPWBDBDCSA-N 268.421 2.839 30 40 CFEB biogenic N#Cc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1 15123925 ZZMMISSCHAKTNZ-UHFFFAOYSA-N 299.761 2.940 30 40 CFEB CC1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 7389280 LEEACYZOIPINOW-ZDUSSCGKSA-N 271.364 2.617 30 40 CFEB CCOC(=O)C1=C2C(=CC1=O)[C@@H](C)[C@@H](C)[C@H](C)[C@@H]2C 1709163 HUINLMNLDWXWDJ-NAKRPEOUSA-N 262.349 2.913 30 40 CFEB O=C1CC(=C=Nc2ccccc2)C(=O)N1c1ccccc1 1714373 IWVZIDPDOHEILR-UHFFFAOYSA-N 276.295 2.878 30 40 CFEB N#C[C@H]1[C@H]2CC[C@H]([C@H]1C#N)[C@@H]1[C@H]2N=NN1c1ccccc1 100437094 XSPAFQYQNRLWMV-VJQRDGCPSA-N 277.331 2.930 30 40 CFEB O=C(/C=C/c1ccc(O)cc1O)c1cccc(O)c1 8612645 YDBQXALJOAOTJJ-FNORWQNLSA-N 256.257 2.700 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1sccc1C)CCO2 107720834 CAYRBACDIOIULX-IIAWOOMASA-N 293.432 2.991 30 40 CFEB O=C(Nc1ccc(O)cc1)/C(O)=C/C(=O)c1ccccc1 101542299 CFPKZDBCFRWIBF-GDNBJRDFSA-N 283.283 2.656 30 40 CFEB N#Cc1c(N)nc(S)c(C#N)c1-c1c[nH]c2ccccc12 13758011 OBMAJXLXVSBDGK-UHFFFAOYSA-N 291.339 2.844 30 40 CFEB N#CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCC1 65586424 OAXNRUAKCIHBQG-UHFFFAOYSA-N 282.265 2.810 30 40 CFEB N#Cc1cccc(Cl)c1NCC1(CCO)CCOCC1 80606195 CLUGQIIZASBGRJ-UHFFFAOYSA-N 294.782 2.803 30 40 CFEB N#Cc1ccc(NCc2ncc(-c3ccccc3)[nH]2)cn1 91463088 XIOOGQRCJINRHT-UHFFFAOYSA-N 275.315 2.955 30 40 CFEB COc1cc(-c2ccc(/C=N/O)o2)ccc1[N+](=O)[O-] 20154452 OGJPLZXSDGPEJW-NTUHNPAUSA-N 262.221 2.672 30 40 CFEB N#Cc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)OCO2 8751988 QCPSDHYNZCHLJI-VMPITWQZSA-N 292.294 2.939 30 40 CFEB CC(C)OCC[C@@](C)(C#N)NC(=O)c1cc(Cl)ccn1 84621875 MQEPHUFZSDDGKO-AWEZNQCLSA-N 295.770 2.562 30 40 CFEB C#CC[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 89261541 NNVPZOKHKYZRMH-HNNXBMFYSA-N 293.322 2.910 30 40 CFEB N#Cc1cc(N2CC[C@@]3(CCOC3)C2)nc2ccccc12 89866660 FAUHTTPFJXXWFD-QGZVFWFLSA-N 279.343 2.723 30 40 CFEB COc1ccc(/C=C/C(=O)c2cncc(F)c2)cc1C#N 76040548 PWCBQJHOMKWBPG-DUXPYHPUSA-N 282.274 2.997 30 40 CFEB CCOC(=O)c1cnn(-c2ccccc2Cl)c1C#N 66351561 FVDLYOFRESBITH-UHFFFAOYSA-N 275.695 2.574 30 40 CFEB CCOC(=O)c1sc(C(C)(C)C)c(C#N)c1N 225850084 GWQCMARPIYYLCR-UHFFFAOYSA-N 252.339 2.676 30 40 CFEB C=CCNC(=S)Nc1ccc(C(=O)OCC)c(Cl)c1 225277286 TVKDJVHJGAUKLQ-UHFFFAOYSA-N 298.795 2.989 30 40 CFEB CCCS(=O)(=O)/N=C(\O)CCCc1cccs1 96416188 IWTADEAQEMVEAV-UHFFFAOYSA-N 275.395 2.767 30 40 CFEB COc1ccc(C#C[C@@](C)(O)c2ccccc2)cc1OC 95631948 PBGRFEQNFAIIMT-GOSISDBHSA-N 282.339 2.963 30 40 CFEB N#Cc1ncn(CCc2cccc(Cl)c2Cl)n1 390835643 TXOCNZXXBUQFKV-UHFFFAOYSA-N 267.119 2.699 30 40 CFEB CN(Cc1cc(C#N)ccc1F)CC1(C)CCOCC1 97375193 WFZVNTLIAZZUMM-UHFFFAOYSA-N 276.355 2.946 30 40 CFEB N/C(=N\OC(=O)c1cccc2ccccc12)c1ccccn1 4525825 HBZLTUAXQJAGCL-UHFFFAOYSA-N 291.310 2.712 30 40 CFEB C[C@H]1CCc2sc(NC(=O)CCC(=O)O)c(C#N)c2C1 188238 FJKWWFBDKXCYKL-QMMMGPOBSA-N 292.360 2.548 30 40 CFEB Cc1noc(C)c1CN(C)CCOc1cccc(C#N)c1 51706028 UAJPHQNMYIUVSD-UHFFFAOYSA-N 285.347 2.674 30 40 CFEB C[C@H](NCC#Cc1ccccc1)[C@@H](O)c1ccccc1 22213575 GCQXUEHPSYDAAL-MAUKXSAKSA-N 265.356 2.750 30 40 CFEB C#CCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 22390680 LHIZUNGBFPZDIN-GFCCVEGCSA-N 250.729 2.724 30 40 CFEB C=C(C)COCCNC(=O)Nc1ccccc1COC 89914056 ATNKTOMTGRSCRF-UHFFFAOYSA-N 278.352 2.547 30 40 CFEB CCN(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 7386597 DLZLZYHZIWDPRA-UHFFFAOYSA-N 286.356 2.773 30 40 CFEB Cc1cc(Cl)ccc1NC(=O)CSCC#N 1910738 YCIRUPYCOQBVQY-UHFFFAOYSA-N 254.742 2.844 30 40 CFEB CC(C)(C)C(=O)/C=C/NCc1ccc2c(c1)OCO2 108944008 DVISZNVJWRDHEA-VOTSOKGWSA-N 261.321 2.634 30 40 CFEB COc1cc(OC)c(C(=O)CC#N)cc1Br 106679534 VJEKSPANPCYTKR-UHFFFAOYSA-N 284.109 2.563 30 40 CFEB N#Cc1cnn2c(C(F)(F)F)cc(-c3ccncc3)nc12 48512747 ZPKZAWXHVJSLBV-UHFFFAOYSA-N 289.220 2.682 30 40 CFEB N#Cc1ccccc1S(=O)(=O)N1CCCc2ccccc21 6476196 QXTNGWCWXZIGLK-UHFFFAOYSA-N 298.367 2.700 30 40 CFEB N#C[C@H]1c2ccccc2C=NN1C(=O)c1ccccc1 5946454 GMYBIXXKSUEYNC-HNNXBMFYSA-N 261.284 2.741 30 40 CFEB Cc1[nH]c2ccccc2c1C(=O)OCC1(C#N)CCOCC1 97056677 HSNJNHVKGJDKOI-UHFFFAOYSA-N 298.342 2.954 30 40 CFEB C[C@@H](Oc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 6508751 MTCBVSLTXFGOLB-GFCCVEGCSA-N 290.338 2.936 30 40 CFEB C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)s1 96056515 QBOCWUQUYJSSMV-HUUCEWRRSA-N 290.432 2.808 30 40 CFEB N#Cc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1 97200506 GRNAZCYYQQQGPR-QGZVFWFLSA-N 292.386 2.887 30 40 CFEB COc1ccc(Br)cc1OCCC#N 95738551 COZZNUBAKWMHAP-UHFFFAOYSA-N 256.099 2.750 30 40 CFEB COc1ccc(Br)cc1-c1noc(N)c1C#N 84704727 WLBPTRVUAMWDJW-UHFFFAOYSA-N 294.108 2.567 30 40 CFEB Cc1cnc(C(=O)Nc2ccc(Cl)c(C#N)c2)cn1 36396029 ZRFWRYKDZNVTFV-UHFFFAOYSA-N 272.695 2.562 30 40 CFEB CCc1ccccc1NCC(=O)NC1(C#N)CCCC1 30492976 VLMGTSWCQQUGNN-UHFFFAOYSA-N 271.364 2.613 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@H]1CO 78665961 DBCSYCDFEOPKOG-QWRGUYRKSA-N 299.296 2.935 30 40 CFEB Cc1cc(C)cc(-n2c(C)cc(C)c(C#N)c2=O)c1 1438820 DXGPBMZBGVJTGG-UHFFFAOYSA-N 252.317 2.943 30 40 CFEB C=CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 2518265 VKEZZGBUHSYSJM-CYBMUJFWSA-N 259.305 2.543 30 40 CFEB in-vitro COc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1O 104819947 RARBULYOFWVVLI-YRNVUSSQSA-N 282.295 2.929 30 40 CFEB CN(CCC#N)C(=O)COc1cc(Cl)ccc1Cl 34651629 QRPPZTILIJNNIA-UHFFFAOYSA-N 287.146 2.744 30 40 CFEB Cc1cc(C)cc(NCC(=O)N[C@](C)(C#N)C2CC2)c1 36390574 YJYVBXWNYFMBPU-MRXNPFEDSA-N 271.364 2.524 30 40 CFEB O=C[C@@H](C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 104215447 GWOMOBURXKPPDQ-CYBMUJFWSA-N 269.256 2.760 30 40 CFEB CC(C)(C)NCCCNc1ccc([N+](=O)[O-])cc1C#N 9366023 NGTYSQPUWNGRHO-UHFFFAOYSA-N 276.340 2.657 30 40 CFEB Cc1nc2ccccc2c(=O)n1Cc1cccc(C#N)c1 7391051 MYBYZRXUNSMFHX-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB C/N=C(/NCCC(F)(F)F)NCC(C1CC1)C1CC1 85117263 YTOJSIBDOAVMFQ-UHFFFAOYSA-N 277.334 2.540 30 40 CFEB COC(=O)CSc1oc(-c2ccc(C)cc2)nc1C#N 72238723 GEZZLNGBZZXZHJ-UHFFFAOYSA-N 288.328 2.787 30 40 CFEB COc1ccc(N[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cn1 195574705 FRRVDPQBMNVUDD-YJNKXOJESA-N 287.363 2.742 30 40 CFEB CC[C@H](C)S(=O)(=O)/N=C(\O)c1nccc2ccccc12 96502367 XOOMMLVFNZDETI-JTQLQIEISA-N 292.360 2.668 30 40 CFEB N#Cc1ccc(SCCOC[C@H]2CCCO2)c(F)c1 96430202 UZBWTALQQKJCAS-GFCCVEGCSA-N 281.352 2.985 30 40 CFEB C=CCc1cc(CNC(=O)C(C)C)cc(OC)c1OC 50527717 LMEUZTVZVUJPCW-UHFFFAOYSA-N 277.364 2.705 30 40 CFEB C[C@H]1CN(Cc2cc(C#N)cs2)C(C)(C)CO1 97376906 UPPJSEFAQHPSKM-JTQLQIEISA-N 250.367 2.619 30 40 CFEB C=C(C)CNC(=S)Nc1cc(NC(C)=O)ccc1OC 6238190 OBLIGABXLWRBPT-UHFFFAOYSA-N 293.392 2.516 30 40 CFEB N#Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 36390538 AIVQCQDIMQVWDC-OAHLLOKOSA-N 299.305 2.552 30 40 CFEB CCOc1ccc(-c2nnc(SCC#N)o2)cc1 5391704 JUJNHXKLOWHVEV-UHFFFAOYSA-N 261.306 2.751 30 40 CFEB COc1ccc2c(c1)C(=O)/C(=C\c1cccnc1)CO2 83969966 FQLDUZPEYOQING-GHXNOFRVSA-N 267.284 2.749 30 40 CFEB C#CCN(C(=O)/C=C/c1cccnc1)C1CCCCC1 95956323 QKYOACLDWBDOCX-ZHACJKMWSA-N 268.360 2.889 30 40 CFEB N#CC1(NC(=O)Cc2coc3cc4c(cc23)CCC4)CC1 89764988 ILVLPWRZEXHMTO-UHFFFAOYSA-N 280.327 2.636 30 40 CFEB CC(C)Cc1nn(Cc2ccccc2)c(N)c1C#N 225838437 DKQYKAJYADMNCJ-UHFFFAOYSA-N 254.337 2.584 30 40 CFEB CSc1ncnc(NCc2ccccc2F)c1C#N 41527773 QQUYKCYZKULYRG-UHFFFAOYSA-N 274.324 2.821 30 40 CFEB C[C@H]1CN(c2ccccc2F)CCN1CCCC#N 191618438 FRBMXCMIWQILKM-ZDUSSCGKSA-N 261.344 2.640 30 40 CFEB CCCn1nc(OCc2cccc(C)c2)c(C#N)c1N 225830769 AGVGJCCZNWGFBL-UHFFFAOYSA-N 270.336 2.634 30 40 CFEB Cn1c(/C=N/N)ccc1-c1ccc(Br)cc1 257173205 GOOPROAESRJDOP-OVCLIPMQSA-N 278.153 2.747 30 40 CFEB Cc1cc(C2(C#N)CC2)ccc1B1OC(C)(C)C(C)(C)O1 687769327 LBQIOMHFAOSINR-UHFFFAOYSA-N 283.180 2.849 30 40 CFEB N#Cc1cc(F)c(NCCNc2ncccc2C#N)c(F)c1 79016898 VWIRNUZEKLPWEN-UHFFFAOYSA-N 299.284 2.627 30 40 CFEB CCN(CC)C(=O)c1ccc(Oc2nccnc2C#N)cc1 78336468 LYLMITUVXILFNY-UHFFFAOYSA-N 296.330 2.623 30 40 CFEB Cc1c(CNc2ccccc2N(C)C)cc(C#N)n1C 96486271 HVJXRRNOSYIYGD-UHFFFAOYSA-N 268.364 2.883 30 40 CFEB COc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1 13113581 NMFPHUIOZBSQGW-WJDWOHSUSA-N 289.356 2.811 30 40 CFEB CC(C)(C)/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17163589 ORILNCDDCQWASM-GHXNOFRVSA-N 266.257 2.947 30 40 CFEB CS(=O)(=O)O[C@@H]1CCCC[C@@H]1c1ccccc1 1706519 QDTSLCFOVSACBX-CHWSQXEVSA-N 254.351 2.689 30 40 CFEB CN(CCC#N)C(=O)CCSc1ccc(F)cc1 34652126 YNSXCUUWLZONCK-UHFFFAOYSA-N 266.341 2.680 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(O)cc1 8703009 JRHBOXSVQRPGPC-UHFFFAOYSA-N 283.287 2.827 30 40 CFEB N#Cc1ccc(N2CC[C@@H](N3CCCCCC3)C2=O)cc1 28708655 UCHGOQDNOJFVOJ-MRXNPFEDSA-N 283.375 2.540 30 40 CFEB COc1cc(C#N)ccc1OC(=O)[C@@H]1CC=CCC1 24003717 ROXKIZPEKDFIAW-GFCCVEGCSA-N 257.289 2.829 30 40 CFEB COC(=O)CSc1nc(-c2ccccc2)nc(C)c1C#N 6764374 VEHBSLOCWATFGQ-UHFFFAOYSA-N 299.355 2.589 30 40 CFEB C=CCCO[C@H](C)C(=O)Nc1cncc(Br)c1 95975562 ZHWBFDRQHNCBSL-SECBINFHSA-N 299.168 2.764 30 40 CFEB C=CCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 35818596 LLVLUNFHIUYVBD-UHFFFAOYSA-N 272.392 2.834 30 40 CFEB CCSc1nc(N)c(C#N)c(COc2ccccc2)n1 223680205 AKIKWWBJOPNDSK-UHFFFAOYSA-N 286.360 2.621 30 40 CFEB C=CCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1 80630529 FIGIOSUMBLQAHK-GFCCVEGCSA-N 268.744 2.513 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(F)cc2)nc1 195777342 YQGDAOADACQELM-CHHVJCJISA-N 260.228 2.575 30 40 CFEB C=C(C)CNC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 275052118 WFHOYYFNAGDASQ-GJZGRUSLSA-N 292.354 2.921 30 40 CFEB C=CCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 47806844 MTXOBRNNEQOXTO-STQMWFEESA-N 289.379 2.608 30 40 CFEB Cc1cc2ncn(/N=C/c3cccnc3)c2cc1C 196155 KSMCQTZOQVGVDF-GIJQJNRQSA-N 250.305 2.930 30 40 CFEB N#Cc1nc(C2=C(Cl)c3ccccc3OC2)[nH]c1C#N 5647200 CWVGNKRXVPDBQT-UHFFFAOYSA-N 282.690 2.653 30 40 CFEB COc1ccc([C@@]23CCC(=O)C=C2N(C)CC3)cc1OC 14589286 XPUOZJJNPJXFTD-KRWDZBQOSA-N 287.359 2.524 30 40 CFEB biogenic,in-vitro CCOC(=O)/C(=C/c1ccncc1)C(=O)c1ccccc1 5499602 WFQCYAUYZKZOQR-NTCAYCPXSA-N 281.311 2.911 30 40 CFEB N#Cc1ccc(CS(=O)(=O)NC2CCCCCC2)cc1 14068805 BAVVFPQDJXROLK-UHFFFAOYSA-N 292.404 2.700 30 40 CFEB CN1C(=O)/C(=C\C(=O)c2ccccc2)c2ccccc21 13584296 RGYJQCJFVQQMEX-KAMYIIQDSA-N 263.296 2.929 30 40 CFEB N#CCc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 308633 MFDGKKRHTSLPSS-INIZCTEOSA-N 294.310 2.531 30 40 CFEB CC(C)=NNc1scc(C)[n+]1Cc1ccco1 1466270 CDAGAIMVHSAVDV-UHFFFAOYSA-O 250.347 2.793 30 40 CFEB N#Cc1ccc(C[n+]2cccc3c([N+](=O)[O-])cccc32)cc1 1566246 NGHCKAORNITQSN-UHFFFAOYSA-N 290.302 2.955 30 40 CFEB N#CC1(NC(=O)CN2CCC[C@@H]2C2CCCC2)CCCC1 55927899 DEMPTNRBMKBPJY-OAHLLOKOSA-N 289.423 2.594 30 40 CFEB CCCOc1ccc(/C=N/Nc2ocnc2C#N)cc1 26533110 QTIPLPRNVPNBAN-RQZCQDPDSA-N 270.292 2.781 30 40 CFEB N#CCCNC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21 58217640 SXWJSDNJNVJHSC-KRWDZBQOSA-N 297.402 2.558 30 40 CFEB CS[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 48461313 KTWPVUINVWMREW-RXMQYKEDSA-N 299.826 2.798 30 40 CFEB CC[C@@H](C#N)NC(=O)CCCOc1ccccc1C 65624426 AYSIUSRNMXQOHF-ZDUSSCGKSA-N 260.337 2.572 30 40 CFEB CCN(CC)CCNc1nc(C)c2c(c1C#N)CCCC2 6759713 VUMMJJCKZMEXMQ-UHFFFAOYSA-N 286.423 2.894 30 40 CFEB COc1ccc(Cc2nnc(S[C@@H](C)C#N)o2)cc1 5788672 IMEUNHMWFAKXBF-VIFPVBQESA-N 275.333 2.673 30 40 CFEB C=CCNc1cnn(-c2ccc(C)cc2)c(=O)c1Cl 5942547 ZFFLMXFLQCQDAX-UHFFFAOYSA-N 275.739 2.792 30 40 CFEB COc1cc(/C=C/C(=O)c2cccnc2)cc2c1OCCO2 7739849 GLBNQIQYTXQKIL-SNAWJCMRSA-N 297.310 2.758 30 40 CFEB CCO[C@@H](C)/C(O)=N/c1nc(Cc2cccc(F)c2)n[nH]1 97080813 OMGSPCMOOCSEMH-VIFPVBQESA-N 292.314 2.548 30 40 CFEB N#Cc1ccc(OCCN2CCC(c3cn[nH]c3)CC2)cc1 97203068 GCYYLWAPFPUYRG-UHFFFAOYSA-N 296.374 2.540 30 40 CFEB Cc1ccncc1NC(=O)N(C)Cc1cccc(C#N)c1 89277922 UKBIPXXSANQELE-UHFFFAOYSA-N 280.331 2.926 30 40 CFEB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC#N)C(C)C 89689231 ITZKFJKMBBZWTC-LSDHHAIUSA-N 256.349 2.859 30 40 CFEB Cn1cnc2cc(C(=O)Nc3ccc(F)c(C#N)c3)ccc21 89761867 CTEJVJOVNFJNLY-UHFFFAOYSA-N 294.289 2.836 30 40 CFEB N/C(=N\c1ccccc1)N/N=C\c1c[nH]c2ccccc12 35977684 FBKVMQMNXKDTOJ-ODLFYWEKSA-N 277.331 2.738 30 40 CFEB CN(C)/C=C\C(=O)c1cccc(OC(F)(F)F)c1 199817917 MLYHTTMXNXRTCX-SREVYHEPSA-N 259.227 2.843 30 40 CFEB C=CCN(Cc1cccnc1)S(=O)(=O)c1cccs1 193554857 MMNYXABFPPUHPQ-UHFFFAOYSA-N 294.401 2.520 30 40 CFEB C=CCO[C@H]1CC2(CCNCC2)c2cc(OC)ccc21 96241867 NWLUXKUOAKUSHO-INIZCTEOSA-N 273.376 2.964 30 40 CFEB Cc1ccccc1-n1nc(C#N)c(N2CCCCCC2)n1 256047598 NHKUCETZBZTJBT-UHFFFAOYSA-N 281.363 2.828 30 40 CFEB N#Cc1ccnc(OC[C@H]2CCCN(C3CCC3)C2)c1 1776009479 PEJJTNRKCYRKNQ-AWEZNQCLSA-N 271.364 2.597 30 40 CFEB CCOC(=O)N/C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 4266750 APACOMOGYGDSLN-RYBJYLDISA-N 251.326 2.642 30 40 CFEB CS(=O)(=O)O[C@@H]1CCCSc2ccccc21 5004875 JLGSQTMMJRCNDH-SNVBAGLBSA-N 258.364 2.590 30 40 CFEB O=C1c2ccccc2CC[C@@]12O[C@H]2c1ccccn1 13283794 XUXDNOQVOHCPEV-JKSUJKDBSA-N 251.285 2.721 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\N=C/c2cccc([N+](=O)[O-])c2)c1 17353803 OFKOPKJTGHUWLZ-VULZFCBJSA-N 298.258 2.956 30 40 CFEB NC(=O)[C@]1(c2ccccn2)O[C@@H]1c1cccc2ccccc12 162570 XXMRRXBBQWOURU-SJLPKXTDSA-N 290.322 2.687 30 40 CFEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)on1 11693204 OUZSFUTYZKCNQC-UHFFFAOYSA-N 273.317 2.657 30 40 CFEB CC(=O)C(=NNc1ccc(C(F)(F)F)cc1)C(C)=O 78945 GYRYOLLFTALKGI-UHFFFAOYSA-N 272.226 2.651 30 40 CFEB COC(=O)[C@@H]1O[C@@H]1c1cc(Cl)cc(Cl)c1OC 1704587 FTOYPHSRTPHZPU-NXEZZACHSA-N 277.103 2.615 30 40 CFEB C=CCn1cnn(CN(C)Cc2cccc(C#N)c2)c1=S 25478173 FMPHKPKHUZVUEW-UHFFFAOYSA-N 299.403 2.561 30 40 CFEB C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H](c2ccsc2)O1 84714221 AITOBZXHKMOYGZ-BXUZGUMPSA-N 285.372 2.981 30 40 CFEB N#Cc1c(NC(=O)CC2=CCCCC2)nc2n1CCS2 72287811 NIYJMQDTPZMFBE-UHFFFAOYSA-N 288.376 2.689 30 40 CFEB CCc1ccc2cc(C#N)c(N3CCC[C@@H](O)C3)nc2c1 20142922 CAUIVHPCSVARPF-OAHLLOKOSA-N 281.359 2.630 30 40 CFEB C#CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 73640158 KOTUXBJGGZOUBR-UHFFFAOYSA-N 285.255 2.953 30 40 CFEB O/N=C(\C=N\N=C\C(=N\O)c1ccccc1)c1ccccc1 225620951 GXVYEOGDFWASBX-UNJCYEQISA-N 294.314 2.800 30 40 CFEB CN(/C(N)=N/[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 195559353 RSUZGLUDVZLFBB-OLZOCXBDSA-N 263.772 2.605 30 40 CFEB C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 96039592 ZAHICDYSYFJATM-IRXDYDNUSA-N 291.391 2.853 30 40 CFEB CSC(=NC#N)SCOc1cccc([N+](=O)[O-])c1 252644106 ZZFASDFIBSKFEF-UHFFFAOYSA-N 283.334 2.864 30 40 CFEB CN(c1nn(-c2ccccc2)nc1C#N)C1CCCCC1 256045846 BGTDRIMQNGGZFC-UHFFFAOYSA-N 281.363 2.908 30 40 CFEB CCN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1C 69351393 RQDUQMITPQKDRF-UHFFFAOYSA-N 286.784 2.573 30 40 CFEB C=CCCC(=O)N1CCC[C@@H](COc2cccc(C)n2)C1 1775969290 IYXBETLZHDPZOV-OAHLLOKOSA-N 288.391 2.974 30 40 CFEB Cc1nonc1/N=C/c1cc(Br)ccc1O 5378440 CMVCYGSOJUSVES-LFYBBSHMSA-N 282.097 2.597 30 40 CFEB C(=N/N=C1NCCCCN1)\c1ccc2ccccc2c1 1645644 CRZIFQBLHXXMCS-XDHOZWIPSA-N 266.348 2.503 30 40 CFEB Oc1c(Cl)cc(Cl)cc1/C=N/c1nnc[nH]1 12489252 TYOUAJGUAOUJES-KGVSQERTSA-N 257.080 2.568 30 40 CFEB C=CCCC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 78998286 SIHPPWKSQJTKLE-LKFCYVNXSA-N 285.746 2.983 30 40 CFEB N=C(N)N/N=C(\c1ccccc1)c1ccc(Cl)cc1 4758448 DGYCGNBYYCUOGA-QGOAFFKASA-N 272.739 2.575 30 40 CFEB NC(=O)C(C(=O)/C=C/c1ccc(F)cc1)=C1SCS1 3342820 VOXVHGDMYZVUME-ZZXKWVIFSA-N 295.360 2.542 30 40 CFEB C=CCNC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 4504809 PFHPKWRXKXLQMQ-LBPRGKRZSA-N 299.157 2.789 30 40 CFEB Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 7052662 LLDONTRODZTLGV-UHFFFAOYSA-N 272.329 2.668 30 40 CFEB CCc1c(C(=O)N[C@H](C#N)CC(C)C)[nH]c(C)c1C(C)=O 69632988 AHOZHURAFXFZEX-LBPRGKRZSA-N 289.379 2.756 30 40 CFEB CC(C)N(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 25820501 ZTVSIBCZZPHEQT-UHFFFAOYSA-N 299.418 2.850 30 40 CFEB N#Cc1cccc(C(=O)N[C@@H]2CCc3ccccc32)c1 14903655 BHLHAAPHXGLZSI-MRXNPFEDSA-N 262.312 2.976 30 40 CFEB Cc1cccc(C)c1Cn1c(C)nc(C#N)c1C#N 135490497 LNSYGLQDRYLLSQ-UHFFFAOYSA-N 250.305 2.600 30 40 CFEB C=C(Cl)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 48046829 IWXMXVBJFMSYEB-LBPRGKRZSA-N 284.831 2.709 30 40 CFEB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C#N)c1 225817024 PWGVVKQQNRHSQY-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB Cc1nc(-c2ccc(Br)cc2)nn1CCC#N 95438938 OZJRKQBNHTWSEJ-UHFFFAOYSA-N 291.152 2.930 30 40 CFEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cccs1 13144533 QYIGWVSKOVPXJX-KAMYIIQDSA-N 294.401 2.759 30 40 CFEB Cc1cccnc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 9367705 HYYWTHNWWLOBKO-GFCCVEGCSA-N 281.315 2.668 30 40 CFEB C=CCSc1nnc(-c2ccc(OC)cc2)n1C 32944886 WICJHASAXVUUJF-UHFFFAOYSA-N 261.350 2.769 30 40 CFEB Cc1ccc(-c2nnn(Cc3ccc(C#N)cc3)n2)cc1 419592 HXZQRMDCAKEPID-UHFFFAOYSA-N 275.315 2.569 30 40 CFEB N#CCN(C(=O)[C@@H]1CCCc2ccccc21)C1CC1 58282910 SNUPFTYMRHOCDE-OAHLLOKOSA-N 254.333 2.621 30 40 CFEB C#CCOc1ccc([C@H](C)NCc2ccnc(OC)c2)cc1 95420001 ISTOVDXNTFVLCG-AWEZNQCLSA-N 296.370 2.953 30 40 CFEB CCCc1ccc(-c2csc(N=C(N)N)n2)cc1 48433679 WHQCWYZPBRKVLO-UHFFFAOYSA-N 260.366 2.668 30 40 CFEB CN(C)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1 12974143 MEAPWYZAKUXJEV-KRWDZBQOSA-N 293.370 2.591 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(C#N)c1 7652164 MYUARQKRSLCAOC-IUODEOHRSA-N 272.348 2.632 30 40 CFEB C[C@@H](C#N)OC(=O)Cn1ccc2ccc(Cl)cc21 95955553 IPVIZNLATRIGQU-VIFPVBQESA-N 262.696 2.750 30 40 CFEB Cc1ccnc(N2CCC[C@@H]2[C@H]2CCCOC2)c1C#N 521867270 HDZWCVRJSSGWPF-DZGCQCFKSA-N 271.364 2.657 30 40 CFEB CCOC(=O)[C@@]12C[C@@](C)(C(C)=C1C)C1=C(O)C=CC(=O)[C@H]12 36038176 MIUFBHDBMRBDJK-PVAVHDDUSA-N 288.343 2.863 30 40 CFEB CSc1nc(N)c(C#N)c(Cc2cccc(C)c2)n1 223669561 KDVKOHUSGHJMIP-UHFFFAOYSA-N 270.361 2.552 30 40 CFEB CC(C)(C)OC(=O)NC/C(=N\O)c1ccc(F)cc1 12357087 OZCAZRSTWYUKCY-LFIBNONCSA-N 268.288 2.529 30 40 CFEB CO[C@@H]1CCC[C@@H]1OC(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 75092052 QFLWHBZJZXQNQR-FPCVCCKLSA-N 285.343 2.772 30 40 CFEB Cc1c(F)cc(CC#N)cc1I 169798101 UTQWHBCXGVVUTF-UHFFFAOYSA-N 275.064 2.805 30 40 CFEB C=CCCC(=O)NCC1(c2ccsc2)CCOCC1 952987821 YEEYZATZCHNWGT-UHFFFAOYSA-N 279.405 2.879 30 40 CFEB O=C1CSC(=S)N1/N=C/C=C/c1ccccc1 5584588 RIFLNDCTXVHQQR-ZAUJTXRMSA-N 262.359 2.546 30 40 CFEB N#Cc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 22796455 HKUTVSZUABHWLE-UHFFFAOYSA-N 291.398 2.876 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1 23680373 SCTQBNYFLISRNA-SECBINFHSA-N 255.104 2.691 30 40 CFEB N#Cc1cccnc1NCCc1ccc([N+](=O)[O-])cc1 40676203 MPCRRPURXPCRJG-UHFFFAOYSA-N 268.276 2.516 30 40 CFEB Cc1[nH]nc(O)c1C1(C(C#N)C#N)C2CC3CC(C2)CC1C3 120846 GOAONVIXNPDTBV-UHFFFAOYSA-N 296.374 2.781 30 40 CFEB O=C(ON=C1CCSCC1)c1ccccc1F 192205 BUYKKJVZFZWOHS-UHFFFAOYSA-N 253.298 2.866 30 40 CFEB C#C[C@@]1(O)C[C@H]2c3ccc(OC)cc3CC[C@@]2(C)C1 1556401 RGMQGPYAYKKFCZ-YESZJQIVSA-N 256.345 2.889 30 40 CFEB C#CCNC(=O)c1sc2nc(C)cc(C)c2c1C 25253572 NVPUKKUUEQFZNK-UHFFFAOYSA-N 258.346 2.585 30 40 CFEB C=CCN1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 57151337 LNUVJUBVVMCMJJ-UHFFFAOYSA-N 297.354 2.928 30 40 CFEB C=CCNC[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 2624421 NNMYNYKTXZZEIW-CYBMUJFWSA-N 293.407 2.508 30 40 CFEB N#Cc1cccn1-c1nccc(-c2cccs2)n1 4088766 KCSQDLWGFXTURN-UHFFFAOYSA-N 252.302 2.867 30 40 CFEB N#Cc1ncn(Cc2cc3ccccc3s2)c1C#N 97379830 ALZGBCXIIQRBNP-UHFFFAOYSA-N 264.313 2.889 30 40 CFEB C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 16641869 ZWPNOVDUMPRILO-STQMWFEESA-N 272.348 2.584 30 40 CFEB N#Cc1ccsc1NC(=O)C(Cl)(Cl)Cl 16991733 DNBZUQFMMDNBNE-UHFFFAOYSA-N 269.540 2.928 30 40 CFEB C=C(Cl)CN1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 69535835 SSVOEKZMTYMALR-ZIAGYGMSSA-N 286.847 2.560 30 40 CFEB N#C[C@H]1CCCC[C@@H]1OC(=O)c1cccc(-c2nnco2)c1 95942867 RYWQRKFMQKFUID-KGLIPLIRSA-N 297.314 2.976 30 40 CFEB C[C@]12CN(C(=O)c3ccco3)[C@]3(C#N)C[C@H]1CC[C@]23C 35986565 FWQIXDFKAFWAKS-CAPXZKIUSA-N 270.332 2.824 30 40 CFEB C[C@@H](C#N)N1CCC(CCN2CCCC[C@H]2C)CC1 182019301 OJGVELPMILJLAX-CABCVRRESA-N 263.429 2.875 30 40 CFEB C=CCNC(=S)Nc1ccc(Br)c(C)n1 223918444 HOLPKYOCUQVUEJ-UHFFFAOYSA-N 286.198 2.625 30 40 CFEB Cc1occc1C(=O)N(CCC#N)CCC(F)(F)F 88220103 LPIAQSJNLOIBOA-UHFFFAOYSA-N 274.242 2.896 30 40 CFEB C=CCN1CC[C@@]2(CCCN(Cc3ccsc3)C2)C1=O 96224092 UVXYMTZPVOUDRJ-MRXNPFEDSA-N 290.432 2.749 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)c1cccc2cc[nH]c12 97372401 LGCFDFQXFGDMDB-SECBINFHSA-N 280.349 2.601 30 40 CFEB Cn1cccc1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 12977218 WABHVTRSWXUIOX-INIZCTEOSA-N 279.343 2.874 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccc(C#N)cc2)SC1=S 4595468 WMSBBVPBMLVQCU-XYOKQWHBSA-N 286.381 2.945 30 40 CFEB CCCc1cc(=O)c2c(OC[C@H]3CO3)ccc(OC)c2o1 157825 OBWCHYPBSJDAEV-LLVKDONJSA-N 290.315 2.532 30 40 CFEB O=C1/C(=C/c2ccccc2O)Oc2ccc(O)cc21 489656 HUVXVUZTPFLEPQ-AUWJEWJLSA-N 254.241 2.714 30 40 CFEB biogenic N#Cc1ccccc1OCc1noc(-c2ccco2)n1 23950175 XCTSTOSPULZPGA-UHFFFAOYSA-N 267.244 2.780 30 40 CFEB C=CCNC(=O)N[C@H](C)c1ccc(Br)cc1 26518055 HQVLAOZECXCRJJ-SECBINFHSA-N 283.169 2.995 30 40 CFEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccs1 10214545 YHCRBLMGZCKNIT-SNVBAGLBSA-N 292.385 2.659 30 40 CFEB O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cccnc1 12741454 YPSWYIMFHBJWIT-GQCTYLIASA-N 294.289 2.698 30 40 CFEB C=C(C)COCCNC(=O)Nc1nc(C2CC2)cs1 84670847 NNKBBEDONKSAJT-UHFFFAOYSA-N 281.381 2.735 30 40 CFEB CC(C)NC(=O)CON=C1c2ccccc2-c2ccccc21 5460139 MBDRDCFLOSKAPS-UHFFFAOYSA-N 294.354 2.961 30 40 CFEB CCn1nccc1/C=C\C(=O)c1ccc(O)c(OC)c1 6634657 XQPUIHMKZKGRMI-ALCCZGGFSA-N 272.304 2.513 30 40 CFEB Cc1noc(CCNc2c(Cl)cccc2C#N)n1 95403134 XEFKNKWCYHHTKH-UHFFFAOYSA-N 262.700 2.558 30 40 CFEB N#CCN(CCc1ccccn1)Cc1ccc(F)cc1 69417389 SPZHYWLSXIYVSM-UHFFFAOYSA-N 269.323 2.789 30 40 CFEB CC[C@H](Oc1ccccc1F)C(=O)N(C)C1(C#N)CCC1 96500830 ZPKFXQRLCFHXDP-ZDUSSCGKSA-N 290.338 2.888 30 40 CFEB CO[C@H](C)C(=O)N(CC1CC1)c1cc(Cl)ccc1C#N 83888366 UCHNFCHPMHLYCS-SNVBAGLBSA-N 292.766 2.990 30 40 CFEB CCc1ccc(O)c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 92421906 ZSLDGSZTYJKFQA-ZDUSSCGKSA-N 260.337 2.623 30 40 CFEB CCCN(CC#N)C(=O)c1ccc2c(c1)CCCC2 72014666 RPNJWEBGINUFRV-UHFFFAOYSA-N 256.349 2.941 30 40 CFEB CC(C)Cn1cc(C(=O)N(CC#N)Cc2ccccc2)cn1 97081239 VMKGXCMBGKZYDH-UHFFFAOYSA-N 296.374 2.705 30 40 CFEB Cc1n[nH]c(C)c1CNc1snc(Cl)c1C#N 89522830 UNHJJAYZLFNGHX-UHFFFAOYSA-N 267.745 2.620 30 40 CFEB COc1ccc(/C=C2/C(=O)ON=C2C)cc1Cl 4320971 GEUKDZKFWALSLT-WEVVVXLNSA-N 251.669 2.665 30 40 CFEB Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2cccnc12 203607588 VZGVWEMFQCGKIS-UHFFFAOYSA-N 269.153 2.842 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1ncc(Br)cn1 664572357 RZLWFEZGIZUSGQ-PHIMTYICSA-N 280.169 2.927 30 40 CFEB CCN1CCCN(c2cc(C#N)c3ccccc3n2)CC1 96453672 HISKJWYRDHUFOW-UHFFFAOYSA-N 280.375 2.638 30 40 CFEB COC(=O)c1ccccc1N/C(C)=C/C(=O)C(F)(F)F 100277996 QYQWLQSHXOEIQF-BQYQJAHWSA-N 287.237 2.920 30 40 CFEB CCCc1nc(CSc2ncc(C#N)c(N)n2)cs1 26106156 TVDKCHJPAADEGU-UHFFFAOYSA-N 291.405 2.632 30 40 CFEB COc1ccccc1/C=C/C(=O)c1ccc2[nH]c(=O)[nH]c2c1 12764708 QMYBOTKTSZVUMR-VQHVLOKHSA-N 294.310 2.761 30 40 CFEB C[C@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1 3442540 SGGFASBZCBCLDZ-LBPRGKRZSA-N 298.317 2.954 30 40 CFEB N#CCSc1nc(N)c2c3c(sc2n1)CCCC3 3553005 ZZIQPHFFPWVBPI-UHFFFAOYSA-N 276.390 2.768 30 40 CFEB CC[C@H](C#N)S(=O)(=O)N(C)[C@@H](C)c1cc(C)ccc1C 95439641 RNNPFVUWYGKOIM-UONOGXRCSA-N 294.420 2.928 30 40 CFEB COCCC1(CNc2ccc(C#N)cn2)CCCC1 95415047 JTAKUUQNURNMNF-UHFFFAOYSA-N 259.353 2.962 30 40 CFEB Cc1cc(C)nc(N/N=C/c2ccc(F)cc2F)n1 5158019 KTEXLEJFGPUILE-FRKPEAEDSA-N 262.263 2.818 30 40 CFEB COc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1 4600253 UQGKCKXPXNKQME-ZHACJKMWSA-N 296.326 2.603 30 40 CFEB Cc1cnn(C[C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 69870082 PZFBDBMUTVPIFF-LSDHHAIUSA-N 298.390 2.661 30 40 CFEB C#CCNC(=O)N(C)[C@H](C)c1nc2ccccc2s1 43481020 WOESISRFTORKRP-SNVBAGLBSA-N 273.361 2.632 30 40 CFEB CC(C)n1cnnc1C1CCN(c2ccc(C#N)nc2)CC1 195553192 CMNYUIBQCXRZMW-UHFFFAOYSA-N 296.378 2.510 30 40 CFEB C/C(=N/Nc1nc(C)cc(C)n1)c1ccc(C#N)cc1 48252393 RMVTXNTURCRNEX-UNOMPAQXSA-N 265.320 2.801 30 40 CFEB Cc1ccc(NCC(=O)Nc2ccccc2C#N)cc1 32113917 AGGKMPPTZSJDLG-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB C[C@H]1CN(c2cccc(Cl)c2C#N)CCCO1 61932246 DQJLPOZIZRSGOP-JTQLQIEISA-N 250.729 2.827 30 40 CFEB CC(C)Oc1ncc(C(=O)N(C)CCC#N)cc1Cl 58304723 XMVNFLQVOKDAKE-UHFFFAOYSA-N 281.743 2.508 30 40 CFEB C#CCNC(=O)c1cc(-c2cccs2)nc2onc(C)c12 11519601 HHLSEUZBSWEUHD-UHFFFAOYSA-N 297.339 2.623 30 40 CFEB OCC#CCSc1nc2cc(Cl)ccc2o1 4699135 RVCNNRPNHOKFIW-UHFFFAOYSA-N 253.710 2.569 30 40 CFEB N#C[C@H](NC(=O)c1cc2ccccc2s1)[C@H]1CCOC1 69487443 PZCHHPUHNCICQZ-RYUDHWBXSA-N 286.356 2.560 30 40 CFEB CC(C)(CCS(C)(=O)=O)CNc1ccc(F)cc1C#N 78296050 JDLPYMKQOVHSER-UHFFFAOYSA-N 298.383 2.570 30 40 CFEB C=CCNC(=S)Nc1ccc(OC)c2ncccc12 225277500 CVPBFRDIAHVQKK-UHFFFAOYSA-N 273.361 2.716 30 40 CFEB N#Cc1cccc(Cl)c1N1CCC[C@@H](CCO)C1 98013780 LHITZJOZHBZAEB-NSHDSACASA-N 264.756 2.810 30 40 CFEB COc1cc(OC)cc([C@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095973 GQUDQWLZXUXWRU-RYUDHWBXSA-N 292.253 2.723 30 40 CFEB CCCn1nnnc1/N=C/c1ccc(Br)cc1 6415963 MAJUOCUJGWPJHE-MDWZMJQESA-N 294.156 2.596 30 40 CFEB CCOc1ncccc1NC(=O)c1cccc(C#N)c1 27512579 LPABKBONLITRMB-UHFFFAOYSA-N 267.288 2.604 30 40 CFEB CCNc1oc(COc2ccccc2OC)nc1C#N 794755 XOSCDCDRMQGEFV-UHFFFAOYSA-N 273.292 2.566 30 40 CFEB Cc1ccc(CNC(=O)COc2ccccc2C#N)cc1F 12487625 TWRZQRYVTYUZTN-UHFFFAOYSA-N 298.317 2.701 30 40 CFEB CCN(CC#N)C(=O)C[C@@H](C)c1cccc(OC)c1 84533945 KFWABWBKEIJMRX-GFCCVEGCSA-N 260.337 2.561 30 40 CFEB CN1C2=C(C(=O)CC2)C(c2ccccc2)C2=C1CCC2=O 1589332 SQZDDNPKCHTBRZ-UHFFFAOYSA-N 279.339 2.950 30 40 CFEB N#CC1(C(=O)Nc2cccc(Cn3ccnc3)c2)CCCC1 25175285 GWPGWMOSEBSEHS-UHFFFAOYSA-N 294.358 2.954 30 40 CFEB N#C[C@@H]1[C@@H]2CSC[C@H]1CN(Cc1ccccc1)C2 100559173 MNHXONWSQPABFI-FICVDOATSA-N 258.390 2.621 30 40 CFEB CN(CC#N)C(=O)Cc1ccc(Cl)c(Cl)c1 58391529 VCDCNLLZRYAWLV-UHFFFAOYSA-N 257.120 2.518 30 40 CFEB C[C@@H]1CCC[C@@H](NC(=O)CNc2ccc(C#N)cc2)C1 49137514 ZIXUFIJSDRTGQA-IUODEOHRSA-N 271.364 2.665 30 40 CFEB Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1Br 93220664 INFSFGXYGGRLLR-GFCCVEGCSA-N 293.164 2.790 30 40 CFEB CC(C)Cc1nc(OCC#N)c(C#N)c2c1CCC2 13693359 DMGHLANBTZKRCF-UHFFFAOYSA-N 255.321 2.543 30 40 CFEB CN(C)c1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 8170797 TVXPRRSYQLYHIE-UHFFFAOYSA-N 279.343 2.554 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)CCC(=O)c1ccc(F)cc1F 69809426 LRSBNKYYNGDAKZ-JTQLQIEISA-N 294.301 2.688 30 40 CFEB N#Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1N 521398336 RFGVHIBRHNUXSW-UHFFFAOYSA-N 293.370 2.640 30 40 CFEB CCc1cc(-c2ccc(C(=O)OC)cc2)c(C#N)c(N)n1 226757824 NPVPHCNNXGLNGE-UHFFFAOYSA-N 281.315 2.551 30 40 CFEB C#CC[C@@H](C)OC(=O)c1cc(NC(C)=O)ccc1C 195571977 QWWFOAYUOOUSHG-LLVKDONJSA-N 259.305 2.522 30 40 CFEB C[C@@H](NCC1CCC(C(N)=O)CC1)c1cccc(C#N)c1 97231024 GISQCUBRMRODQB-DNOWBOINSA-N 285.391 2.501 30 40 CFEB CN(Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 98012994 GPXOLQYRGUENIZ-XHSDSOJGSA-N 270.376 2.804 30 40 CFEB C=CCN1CCC2(CCN(Cc3ccc(C)o3)CC2)C1=O 96046815 RWPVSLCXJTZLHB-UHFFFAOYSA-N 288.391 2.589 30 40 CFEB N#Cc1ccccc1CN1CC[C@H](CNc2ccccn2)C1 97200497 CIQBREGBWRNAJE-OAHLLOKOSA-N 292.386 2.887 30 40 CFEB Fc1ccc(C#CCO[C@@H]2CCCCO2)cc1F 95631867 OLNPDXCUYKLJMZ-CQSZACIVSA-N 252.260 2.860 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/N=C\c2ccccc2O)c1 17425257 BCOROSGFRRAIGD-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB Cc1cc(Br)ccc1NC(=O)CSCC#N 40072620 DCKJQRJACMKSPR-UHFFFAOYSA-N 299.193 2.953 30 40 CFEB CC(C)(O)C#C[C@@](C)(O)c1cccc2ccccc12 491455 ALIAEDIPYGMBLW-QGZVFWFLSA-N 254.329 2.822 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H](C#N)c2ccccc2)cc1 1726761 DZMINCYFARNSAZ-OAHLLOKOSA-N 287.340 2.965 30 40 CFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1cccc(Cl)c1 20503760 SQCRRLLBSBZFMH-YQQAZPJKSA-N 288.822 2.773 30 40 CFEB biogenic,in-vitro O=C(O)CON=C1c2ccccc2-c2ccccc21 6509238 PLACMAVVPYGZGF-UHFFFAOYSA-N 253.257 2.521 30 40 CFEB in-vitro C#C[C@@H](OC(=O)c1cc2cnn(C(C)C)c2nc1C)C1CC1 97047371 HKNJVFSOMGBWCD-OAHLLOKOSA-N 297.358 2.889 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 8106157 JIZZIQNSNXOOFM-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB C/C(=N\Nc1nncc2ccccc12)c1ccccn1 8328459 WTHDKCXXDSISJP-WOJGMQOQSA-N 263.304 2.861 30 40 CFEB CC[C@H](C#N)NC(=O)[C@H](C)Sc1ccc(OC)cc1 69509637 BWHIWBJGJFUNOP-WDEREUQCSA-N 278.377 2.594 30 40 CFEB CC(C)c1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2 8772683 RVAUOVGJUXOCSJ-UHFFFAOYSA-N 262.378 2.938 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 95951640 WROCZTWNFIDYIA-SNVBAGLBSA-N 290.323 2.917 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@@H]1C1CC1 89794158 PNHMEXVQIUCVCF-ZYHUDNBSSA-N 297.280 2.951 30 40 CFEB Cc1cccc2c(CCNc3nccnc3C#N)c[nH]c12 76063306 LLKOIYXUEGTIAI-UHFFFAOYSA-N 277.331 2.793 30 40 CFEB CO[C@H](CNC(=O)NCC1CCC(C#N)CC1)C(C)(C)C 225653366 ZVBDIYWWMWAOLR-JXQTWKCFSA-N 295.427 2.677 30 40 CFEB N#CC1(C(=O)N[C@@H]2CCc3ccccc32)CCCC1 53477156 AXYJLANKSJRGIL-CQSZACIVSA-N 254.333 2.874 30 40 CFEB N#Cc1ccc(Nc2cccc(C3CCNCC3)n2)cn1 585289627 KYHFWUPTBPNNLB-UHFFFAOYSA-N 279.347 2.559 30 40 CFEB N#CC1(c2ccccc2)CCN(C(=O)c2ccncc2)CC1 74778318 ZUUQSPDCNKSJBB-UHFFFAOYSA-N 291.354 2.779 30 40 CFEB C[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCO1 41097139 XGKIAHVQTMOSNC-MFKMUULPSA-N 250.729 2.625 30 40 CFEB COc1cc2c(cc1OC)C1=C(/C=C/C(C)=O)CCN1CC2 1721071 CHZHRUHJUQVFLH-SNAWJCMRSA-N 299.370 2.822 30 40 CFEB CCCC(=O)C1=C(NCCCCCC(=O)O)CCCC1=O 100730270 HPUKXMGDLSKCQP-UHFFFAOYSA-N 295.379 2.597 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105264894 JVIFVEGWXZKIQP-UBHSHLNASA-N 272.348 2.676 30 40 CFEB N#C[C@@H]1[C@H](C#N)[C@@H]2CC[C@H]1[C@@H]1N=NN(c3ccccc3)[C@H]21 4720663 XSPAFQYQNRLWMV-HLZFJGBKSA-N 277.331 2.930 30 40 CFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc2c(c1)OCO2 7891135 UOMCUMOAVAZAHV-WOJGMQOQSA-N 284.319 2.658 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\c2ccc(CCO)cc2)c1 104166275 RTUMGXQMNAPQLD-WJDWOHSUSA-N 270.288 2.880 30 40 CFEB CC(=O)c1cccc(NC(=O)COc2cccc(C#N)c2)c1 3437098 QZEFFNYKCBRYKH-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB N#C[C@@H](NC(=O)CCc1ccccn1)C1CCCCC1 96451375 ZHZQQDDGESZGKH-OAHLLOKOSA-N 271.364 2.603 30 40 CFEB C=CCNC(=O)/C=C/c1cc(Br)ccc1OC 8316664 GWVZYEFEEXDKGR-QPJJXVBHSA-N 296.164 2.773 30 40 CFEB CO[C@@H](/C(O)=N/S(=O)(=O)CC(C)(C)C)c1ccccc1 79037028 ZNCQWPOZOMKEMZ-GFCCVEGCSA-N 299.392 2.707 30 40 CFEB CCN(CC)c1c(N)cc(C#N)n1Cc1ccccc1 225864098 QMIPPPONQZRLHE-UHFFFAOYSA-N 268.364 2.836 30 40 CFEB CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C#N)c2)CCO1 40526850 JTCFKKQSIRJNLM-GFCCVEGCSA-N 293.754 2.854 30 40 CFEB CO/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 5658032 SCNPBDYCQHWJDD-UVTDQMKNSA-N 263.297 2.565 30 40 CFEB N#Cc1ccccc1CSc1ncccc1C(=O)O 3268789 BCFMMGUIRMTBOD-UHFFFAOYSA-N 270.313 2.944 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1cccc(F)c1 3445143 RZFCEXXTZIXQGE-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCO1 31079929 SIJPHZTUYOMMBP-QGZVFWFLSA-N 292.338 2.599 30 40 CFEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C[n+]1ccccc1)C2 4824900 VWPNXOAXLXWARP-GRDNDAEWSA-N 274.384 2.732 30 40 CFEB CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N(C)C 12523216 LUFVOLHKWWVGAJ-CQSZACIVSA-N 290.367 2.855 30 40 CFEB N#Cc1cccc(OCCN2CCOc3ccccc32)c1 59385976 WSLPVWFDLVIODF-UHFFFAOYSA-N 280.327 2.836 30 40 CFEB CCCN1C(=O)C/C(=C\C(C)=O)Nc2ccccc21 8652966 BAUDRCKAFZEAMQ-FMIVXFBMSA-N 258.321 2.718 30 40 CFEB COc1ccc2cccc(CC(=O)NC3(C#N)CC3)c2c1 95436003 OBLROEONYATANB-UHFFFAOYSA-N 280.327 2.563 30 40 CFEB C=CCNc1nc(C(=O)OCc2ccc(C#N)cc2)cs1 3362803 MRUGJJKCOIYKFN-UHFFFAOYSA-N 299.355 2.970 30 40 CFEB Cc1ccc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c(C)c1 3308302 XTUNIMWTYJJUPT-WOJGMQOQSA-N 299.374 2.892 30 40 CFEB N#CCN(Cc1cccc(Br)c1)C1CC1 46600237 CHWBQVSKTANOQE-UHFFFAOYSA-N 265.154 2.937 30 40 CFEB C=CCNC(=O)COc1cc(C)c(Br)cc1C 9190792 BOLMZAPKZZVEEC-UHFFFAOYSA-N 298.180 2.747 30 40 CFEB C=C(Cl)Cn1cnc2ccc(Br)cc2c1=O 9155379 IFMDAWKDLJEKPQ-UHFFFAOYSA-N 299.555 2.912 30 40 CFEB Cc1cccc2c1OC/C(=C\c1csnn1)C2=O 48985651 HYQYSWPFVXBGCG-WEVVVXLNSA-N 258.302 2.505 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 13136383 GCEQJUADWFNJDR-YUAPJLSESA-N 288.263 2.867 30 40 CFEB N#Cc1c2c(c(=S)n(C[C@@H]3CCCO3)c1N)CCCC2 13623883 OTWXNQJUPBKZOH-JTQLQIEISA-N 289.404 2.729 30 40 CFEB C=CCn1nnnc1NCc1cccc2ccccc12 6856478 NGHQBQCAQFIGDY-UHFFFAOYSA-N 265.320 2.624 30 40 CFEB CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)cn2C)C1 81155372 XTKPEEXRTKWKAH-ZIAGYGMSSA-N 273.380 2.841 30 40 CFEB CCC[C@H](C#N)NC(=O)CCCOc1ccccc1F 69514168 JQZDLIRTTGSMOU-GFCCVEGCSA-N 278.327 2.793 30 40 CFEB C[C@@H](Oc1ccc(/C=N/Nc2ccccc2)cc1)C(=O)O 39557348 VYOYWBRCQAQELB-PBSOMRJOSA-N 284.315 2.985 30 40 CFEB CNC(=O)c1cccc(COc2cccc(F)c2C#N)c1 95438589 BDJYRXNIRIZUCX-UHFFFAOYSA-N 284.290 2.636 30 40 CFEB CC(C)c1nc(N/N=C/c2ccncc2)cc(N(C)C)n1 5849788 BDEIBYMNCACLGC-LICLKQGHSA-N 284.367 2.507 30 40 CFEB C/C(=N/NC(=S)NCc1ccccc1)c1ccco1 13138730 GHEXCJVKXGPWFH-WJDWOHSUSA-N 273.361 2.668 30 40 CFEB CCCOc1ccc(/C=N/n2c(S)nnc2CC)cc1 5410320 HQKSBLYUVYSUFJ-XNTDXEJSSA-N 290.392 2.800 30 40 CFEB CCCSCC(=O)[C@H](C#N)C(=O)Nc1ccccc1F 103319893 NICPBOFAGDWDOE-JTQLQIEISA-N 294.351 2.616 30 40 CFEB CCCN(C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 78563017 DLYNPVLESOAJNT-ZDUSSCGKSA-N 275.371 2.865 30 40 CFEB CC[N+]1(CC(=O)c2ccc(OC)cc2)CCCCC1 1667186 UXWYSOJDBJDRAY-UHFFFAOYSA-N 262.373 2.899 30 40 CFEB COc1ccc(OC)c(-c2csc(CC#N)n2)c1 19480358 UAWSNDROIIHBNX-UHFFFAOYSA-N 260.318 2.893 30 40 CFEB C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C#N)C1 3300119 BEXLGWCKMIQXOC-GFCCVEGCSA-N 291.358 2.997 30 40 CFEB COC(=O)c1ccc(COc2ccccc2C#N)cc1 3251007 SSCYXNKZSZRONA-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB CCOc1cc(C#N)ccc1OCC(=O)c1ccc[nH]1 10213028 AHCDIWFTGSMDRC-UHFFFAOYSA-N 270.288 2.547 30 40 CFEB CCOc1ccc2nc(NC(=O)CC#N)sc2c1 6048392 DYZANVVJSFLYIP-UHFFFAOYSA-N 261.306 2.547 30 40 CFEB C#CCOc1ccccc1CN(C)C(=O)NC(C)(C)C 95413733 HUAQZKXBPGKYLF-UHFFFAOYSA-N 274.364 2.639 30 40 CFEB C=CCO[C@@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 66018378 GTWAGGSNVMJIGP-WFASDCNBSA-N 299.374 2.818 30 40 CFEB C=CCS(=O)(=O)/N=C(\O)[C@@H](CC)c1ccccc1 95447818 UZHVSCSTRMSGOY-LBPRGKRZSA-N 267.350 2.653 30 40 CFEB CC(=O)C1=C2CCCCN2c2cc(C)ccc2S1(=O)=O 67340801 UPCOMVWBHPVQGS-UHFFFAOYSA-N 291.372 2.573 30 40 CFEB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc(C#N)c1)C2=O 9579151 SQHUDPPVDPSCTB-PXAZEXFGSA-N 297.358 2.559 30 40 CFEB Cc1ccccc1OCCn1c(C#N)cc(N)c1C 225862013 FXBPXZATSOPRDM-UHFFFAOYSA-N 255.321 2.638 30 40 CFEB COc1ccccc1OCC#CCNC(=O)[C@@H]1CC=CCC1 90610408 PNGYAHZHCUWZDA-OAHLLOKOSA-N 299.370 2.550 30 40 CFEB N#Cc1ccc(CNC(=O)N[C@H]2C=CCCC2)c(F)c1 96462915 MOEXXQZCKOYUIM-ZDUSSCGKSA-N 273.311 2.605 30 40 CFEB N#Cc1ccc(SCC(=O)N2CCCSCC2)cc1 69492563 UBPUSMWQXLTHGE-UHFFFAOYSA-N 292.429 2.616 30 40 CFEB N#Cc1cnc(Oc2ccc(C#N)c(Cl)c2)cn1 195573721 PQFQKPUUGUFQBH-UHFFFAOYSA-N 256.652 2.666 30 40 CFEB Cc1nc(-c2ccccc2)ccc1C(=O)OCC#N 16166123 XZQGMURGVXZDPP-UHFFFAOYSA-N 252.273 2.737 30 40 CFEB O=C(Nc1ccc2c(c1)OCO2)O/N=C\c1ccccc1 5046573 IKDJWSFKJOKTRQ-SXGWCWSVSA-N 284.271 2.998 30 40 CFEB O=[S@@](O)/C(=N/C1CCCCC1)NC1CCCCC1 4628988 XZXHBMCBJXITPY-UHFFFAOYSA-N 272.414 2.819 30 40 CFEB N#Cc1cccnc1Oc1ccc2c(c1)CCC(=O)N2 12527359 DQAWBVYZNYHIRE-UHFFFAOYSA-N 265.272 2.630 30 40 CFEB N#C[C@@H](C(=O)c1ccc2c(c1)COC2)c1ccccn1 50205754 TZGINNXCMGEGFP-CQSZACIVSA-N 264.284 2.602 30 40 CFEB CCOC(=O)CSc1nc(-c2ccncc2)ccc1C#N 495572 PSOFEUJECPFMAT-UHFFFAOYSA-N 299.355 2.670 30 40 CFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 102801808 NHLYHDFULMCMHJ-IDTYTIONSA-N 293.322 2.738 30 40 CFEB N#C[C@@H](C(=O)c1ccsc1)c1nnc2n1CCCCC2 41509104 PNTLRCSJTXPGCQ-NSHDSACASA-N 286.360 2.556 30 40 CFEB CCCCOCCOC(=O)[C@H]1O[C@]1(C)c1ccccc1 1734102 SKVYPMPWHFKHCS-GDBMZVCRSA-N 278.348 2.661 30 40 CFEB C[C@@H]1CCCCN1CCOc1cc([N+](=O)[O-])ccc1C#N 4768938 SCKAQSZHUWKIHF-GFCCVEGCSA-N 289.335 2.720 30 40 CFEB CN(CCC#N)C(=O)c1cc(Cl)cc2cccnc12 58229448 JGJXWLCGBMORRE-UHFFFAOYSA-N 273.723 2.874 30 40 CFEB Ic1ccccc1/N=C1\CCCN1 2638118 WZPUULPUHYHTEI-UHFFFAOYSA-N 286.116 2.705 30 40 CFEB COc1ccc(-c2cnc(CN(C)C[C@@H](C)C#N)o2)cc1 71831047 FSUUSTZZRFDSRJ-LBPRGKRZSA-N 285.347 2.942 30 40 CFEB CCC(CC)S(=O)(=O)/N=C(\O)c1ccsc1 79102213 RNSCVCWLIOKUIH-UHFFFAOYSA-N 261.368 2.571 30 40 CFEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OC 96193677 OWTVWYHQZOBXAT-WTKPLQERSA-N 281.695 2.673 30 40 CFEB Cc1nn(CC(F)(F)C(F)(F)C(F)(F)F)c(C)c1N 95094013 QSMWEQXGFYKQEH-UHFFFAOYSA-N 293.186 2.915 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 35426649 MPQLZICOXRAJTI-CQSZACIVSA-N 294.358 2.803 30 40 CFEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H](C)O1 40526860 FSMGBTFVYHGASF-NXEZZACHSA-N 293.754 2.853 30 40 CFEB C=CCc1c(O)c2c(c3oc(=O)cc(C)c13)C[C@H](C)O2 5883193 YPWJPUFMLLHGQD-VIFPVBQESA-N 272.300 2.859 30 40 CFEB Cn1/c(=N/N=C/c2ccc[nH]2)sc2ccccc21 102818304 MKYVQPQEEYAYAO-ZAYWLTRMSA-N 256.334 2.503 30 40 CFEB CN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CCCC2=O 351228 YVQJCSQMSHUTNU-AWEZNQCLSA-N 274.295 2.529 30 40 CFEB N#Cc1ccc(N[C@H](CCO)C2CCCCC2)nc1 78798532 SIPSTQDOKTWYFV-CQSZACIVSA-N 259.353 2.696 30 40 CFEB CCCCCCCCCC[N+](C)(C)C[C@@H](O)CO 1566469 QETRTSPCNIAWCR-OAHLLOKOSA-N 260.442 2.557 30 40 CFEB C=CCN(CC=C)C(=O)Nc1cc(OC)ccc1OC 1589436 SFGSHKQNGXTHFO-UHFFFAOYSA-N 276.336 2.910 30 40 CFEB COc1ccc(/C=C/C(=O)c2c(C)nc(C)[nH]c2=O)cc1C 24754273 XHLWNXAHUATWBD-FNORWQNLSA-N 298.342 2.600 30 40 CFEB N#CCN(CC#N)C(=O)c1ccccc1Oc1ccccc1 2774023 LAHDQCDFGUWTLM-UHFFFAOYSA-N 291.310 2.968 30 40 CFEB C[C@H](CCO)CNc1ccc(Br)cc1C#N 96008488 DJVGWQBARKLMSS-SECBINFHSA-N 283.169 2.751 30 40 CFEB C(=N/C[C@@H]1COc2ccccc2O1)\c1ccc2c(c1)OCO2 18058253 XVIYZLYBGDVINE-NACCWKTGSA-N 297.310 2.674 30 40 CFEB N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)nc1 76465033 WPIFVPLNWFHGLQ-KRWDZBQOSA-N 291.354 2.704 30 40 CFEB COc1cc(CNCC#N)ccc1OCCc1ccccc1 22107720 DENONYSLEXJYQJ-UHFFFAOYSA-N 296.370 2.930 30 40 CFEB COc1ccc(NC(=O)C(Cl)(Cl)Cl)c(C#N)c1 225784023 NJHJNARXCOKEKB-UHFFFAOYSA-N 293.537 2.876 30 40 CFEB C=C(C)CN(CC)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 97096227 XSSCVZOKDODXKQ-UHFFFAOYSA-N 299.378 2.912 30 40 CFEB Fc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c(F)c1 95096120 GNNXGDCSNDXBDS-GMSGAONNSA-N 268.181 2.984 30 40 CFEB CCCCCCCCCCn1nnc(C(=O)O)c1C(=O)O 97965979 OJRDYDHAMMRWMR-UHFFFAOYSA-N 297.355 2.815 30 40 CFEB C=CCc1cc(C=O)cc(OCC)c1OCC(=O)OCC 5651985 ZLTZBISIXMPEHV-UHFFFAOYSA-N 292.331 2.568 30 40 CFEB Cn1c(/N=C\c2cccc([N+](=O)[O-])c2O)nc2ccccc21 13226911 DVYUKEJIVMEQHL-SXGWCWSVSA-N 296.286 2.938 30 40 CFEB Cc1nccc(N2CCC(C#N)(c3ccccc3)CC2)n1 1888901318 LPXRBANUTSZTSO-UHFFFAOYSA-N 278.359 2.847 30 40 CFEB C=CCn1/c(=N/C(=O)C2CC2)sc2cc(F)ccc21 100874428 ZXERCEPXFWETCE-PEZBUJJGSA-N 276.336 2.865 30 40 CFEB CC(=O)C1=C(O)C(=O)O[C@@H]1c1ccc(C(C)C)cc1 188528 KSAJPXUITXGYRK-CQSZACIVSA-N 260.289 2.809 30 40 CFEB COc1ccc(CC(=O)OCc2ccc(C#N)cc2)cc1 6608610 MSONKSMDBQWGCL-UHFFFAOYSA-N 281.311 2.853 30 40 CFEB O=C1O[C@@H](c2ccccc2)/C(=C(\O)c2ccccc2)C1=O 13118535 LCWBQQRACPYPKI-FIPLFPIMSA-N 280.279 2.823 30 40 CFEB N/C(=N/OCc1ccc(OC(F)F)cc1)c1cccnc1 63456612 PHUOSVJBOSLXEQ-UHFFFAOYSA-N 293.273 2.520 30 40 CFEB O=C(C[n+]1ccccc1)C12CC3CC(CC(C3)C1)C2 4652922 IWCDPSHGWKSIBU-UHFFFAOYSA-N 256.369 2.760 30 40 CFEB Cc1nc(C#N)c(NC[C@@H](c2ccsc2)N(C)C)o1 72238610 YFXQETZIHOBXCS-LBPRGKRZSA-N 276.365 2.631 30 40 CFEB COc1ccc(/C=N/c2c(C)nn(C)c2C)cc1[N+](=O)[O-] 408974819 HCSOCRJHPHLUBS-OVCLIPMQSA-N 288.307 2.704 30 40 CFEB N#Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C#N 76019086 ZOJQWRHXGPVQBL-NSHDSACASA-N 251.289 2.725 30 40 CFEB N#Cc1ccc(N)c(-c2ccc(CN3CCOCC3)cc2)c1 521398319 JCPHJZYTNOWVKZ-UHFFFAOYSA-N 293.370 2.640 30 40 CFEB CC(C)(C)CN(CCCO)C(=O)Nc1cccc(C#N)c1 78604321 XDUJFGDQNWOZNA-UHFFFAOYSA-N 289.379 2.821 30 40 CFEB Cc1cccc(N/N=C2\C(=O)Nc3c(F)cccc32)c1 223759220 NCGHFLBBJGUANX-UHFFFAOYSA-N 269.279 2.902 30 40 CFEB C=CCOC(=O)c1cc(NC)ccc1N1CCCC1 226278482 YPAGJANLWSIXAE-UHFFFAOYSA-N 260.337 2.671 30 40 CFEB C#Cc1cccc(OCC(=O)c2ccc(OC)cc2)c1 199744108 SBQGCNWLPDKTCS-UHFFFAOYSA-N 266.296 2.938 30 40 CFEB C=CCN(CC=C)C(=O)c1ccc(=O)n(-c2ccccc2)c1 96192104 YHLAASKYNODVOU-UHFFFAOYSA-N 294.354 2.652 30 40 CFEB COc1ccc(N[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cn1 252585043 FRRVDPQBMNVUDD-BARDWOONSA-N 287.363 2.742 30 40 CFEB CCNC(=NCc1ccc(Br)cc1)NCC 195530042 WOHXJGBKWLZOBV-UHFFFAOYSA-N 284.201 2.524 30 40 CFEB CCCc1[nH]nc(O)c1[C@@H](c1ccccc1)C(C#N)C#N 809356 HPFUZDVPMPXMLA-AWEZNQCLSA-N 280.331 2.863 30 40 CFEB COc1ccccc1[C@H]1CCCC[C@@H]1OS(C)(=O)=O 1706502 CDHJSKARSRJTES-OCCSQVGLSA-N 284.377 2.698 30 40 CFEB C[C@@H](Oc1cccc(Cl)c1)C(=O)/C=C/N(C)C 1404252 IUCFDMWFOHWDFV-QROSGCPLSA-N 253.729 2.752 30 40 CFEB C=CCNC(=S)N/N=C(C)\C=C/c1ccc(OC)cc1 8655834 DOHGGHHPPPHTRT-FQYHQQJGSA-N 289.404 2.734 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C2CC2)n[nH]1 58153643 JMTNKGKPOKBROS-JTQLQIEISA-N 296.330 2.565 30 40 CFEB N#Cc1ccc(CNc2ccc(Cl)cc2C(N)=O)cc1 49066774 ZZNRQMMNJLMOMF-UHFFFAOYSA-N 285.734 2.923 30 40 CFEB C[C@H](C1CC1)N(C(=O)CNc1ccc(C#N)cc1)C1CC1 71862901 LHIQFTUDVRNLSC-GFCCVEGCSA-N 283.375 2.760 30 40 CFEB C#CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)OC)cc1 95962266 JGDXTZABMHHGDM-LLVKDONJSA-N 289.335 2.788 30 40 CFEB CCC(C)(C)NC(=O)NCCOc1ccc(CC#N)cc1 95410880 DUZFLJZENGRHQO-UHFFFAOYSA-N 289.379 2.619 30 40 CFEB Cn1cccc1C(=O)COc1ccc(C#N)cc1Cl 28141684 CYFJLWULBQWPAO-UHFFFAOYSA-N 274.707 2.812 30 40 CFEB C[C@@H](CC1CCOCC1)NCc1cc(C#N)ccc1F 90117449 PPRAZEAMOLUTDX-LBPRGKRZSA-N 276.355 2.992 30 40 CFEB CC(C)Oc1ccc(NC(=O)C(F)(F)F)cc1C#N 154009135 QPOOOHARZXAXBS-UHFFFAOYSA-N 272.226 2.846 30 40 CFEB CCc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 63035 YQSAQWRQJGEWOG-YBFXNURJSA-N 279.343 2.781 30 40 CFEB CN(C)c1ccc(/C=N/N=C2\C(=O)Nc3ccccc32)cc1 1094605 GXYQVIJAODDAAQ-WOJGMQOQSA-N 292.342 2.528 30 40 CFEB N#C[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 20365309 IKAJGOMEIIUHAG-GFCCVEGCSA-N 270.254 2.602 30 40 CFEB N#CCCN(C(=O)Cc1cccc(Cl)c1)C1CC1 52944680 IXMUDWUPXSKYJD-UHFFFAOYSA-N 262.740 2.787 30 40 CFEB CC(C)[C@@H](C)SCC(=O)N[C@@](C)(C#N)C1CC1 79082503 BZZQSTRTGJQOKC-MFKMUULPSA-N 254.399 2.573 30 40 CFEB C=CCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47806842 MTXOBRNNEQOXTO-BETUJISGSA-N 289.379 2.608 30 40 CFEB COc1cc(C(=O)/C=C/c2cc(C#N)n(C)c2C)ccc1O 12586074 IQCVFWCZUQSQOK-GQCTYLIASA-N 296.326 2.816 30 40 CFEB N#Cc1ccc(-c2cc(-c3ccncc3)nc3ncnn23)cc1 48237692 ZVXNBYYSGARXDP-UHFFFAOYSA-N 298.309 2.725 30 40 CFEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc(C)o1 13684736 SZLBLKNBROKXFI-SFQUDFHCSA-N 287.388 2.976 30 40 CFEB C=CCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] 20897943 HWGIEIWVAZTOFX-UHFFFAOYSA-N 260.253 2.551 30 40 CFEB C=C(Br)CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 67238050 KUPMXVOMQNRNPP-NWDGAFQWSA-N 298.155 2.954 30 40 CFEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccsc1 7926875 DGCAFAQBITVCAM-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB CC[S@](=O)[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 195535211 OUNIQXMJZNERCG-GUXCAODWSA-N 290.432 2.728 30 40 CFEB C=C(C)CCOC(=O)c1cccc(NC(=O)N(C)C)c1 96442853 FGNWLVHYZQMTMY-UHFFFAOYSA-N 276.336 2.903 30 40 CFEB C=CCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 96182343 SXVAUFKROSSHGI-UHFFFAOYSA-N 272.392 2.684 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 96083008 FNODERFOAYOPLH-JKSUJKDBSA-N 260.356 2.660 30 40 CFEB Oc1ccc(O)c([S@+]2C[C@H]3CCCC[C@H]3C2)c1 245231720 JIFZVEPPPITASM-FTJFQDGESA-O 251.371 2.895 30 40 CFEB N#CCCN(Cc1cccnc1)C(=O)c1cc(Cl)c[nH]1 69462517 LNXSYYLKJZJMMF-UHFFFAOYSA-N 288.738 2.619 30 40 CFEB N#Cc1ccc(/N=c2\oc3ccccc3cc2C(N)=O)cc1 191862 UMFUGQVRRKRPPC-JZJYNLBNSA-N 289.294 2.636 30 40 CFEB CCOC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 9664777 MTHOZIDITGUPLW-SSDOTTSWSA-N 292.644 2.924 30 40 CFEB in-vitro CNC(=S)N/N=C/c1ccc(-c2ccccc2)cc1 1005418 SHYVBCFTLUBYAM-GZTJUZNOSA-N 269.373 2.781 30 40 CFEB COc1c(O)ccc(/C=N/Nc2ccccc2)c1[N+](=O)[O-] 6229590 FBBYFADBXGZDHM-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(F)cc1 103503805 FAUVMZHVNBRLJK-CQSZACIVSA-N 288.322 2.597 30 40 CFEB CSC1=N[C@H](c2ccccc2)C(C(C)=O)=C(C)N1 6665713 JHWYNLXFDLUETJ-CYBMUJFWSA-N 260.362 2.913 30 40 CFEB Oc1ccccc1/C=N\c1ccc(F)c2c(O)[nH]nc12 102389237 VEHBFNVYOQKNMS-APSNUPSMSA-N 271.251 2.864 30 40 CFEB C=C(C)c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 9764288 CZCNZCXLOZCWAF-UHFFFAOYSA-N 283.287 2.920 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)c1cnc2ccccc2n1 58344765 NWCAMJHIBCFVSY-UHFFFAOYSA-N 295.264 2.820 30 40 CFEB CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O 14971527 GTHJHHZMCSHKDZ-XQLPTFJDSA-N 250.338 2.781 30 40 CFEB biogenic N#Cc1nccnc1N1CCC[C@@]2(CC=CCC2)C1 71907738 BHRORASGDBLUGR-HNNXBMFYSA-N 254.337 2.675 30 40 CFEB N#C[C@H](Sc1nc2ncccn2n1)C1CCCCC1 71908677 ZIFQKBNFABFGAL-NSHDSACASA-N 273.365 2.689 30 40 CFEB CC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 55232016 PBBIQOCFTHAXMX-IAGOWNOFSA-N 272.392 2.773 30 40 CFEB biogenic O=C1ON=C(c2ccccc2)[C@H]1Cc1ccccc1 136376262 BGJVSKFHTPNSOJ-CQSZACIVSA-N 251.285 2.806 30 40 CFEB N#Cc1cccc(Oc2ccc(C(=O)NC3CC3)cc2)n1 195545966 CGJQNUAWTWWUNB-UHFFFAOYSA-N 279.299 2.638 30 40 CFEB COc1ccc(-n2c(C)cc(C#N)c2C)c([N+](=O)[O-])c1 223711848 WKOSUDAHLVNIPZ-UHFFFAOYSA-N 271.276 2.883 30 40 CFEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cnn(C)c1C)C2 95480784 PVKZZKBQWMHMAV-WUXMJOGZSA-N 298.342 2.568 30 40 CFEB COCc1cccc(C(=O)OCC2(CC#N)CC2)c1 96442787 IZOKDGYZJSXNQO-UHFFFAOYSA-N 259.305 2.684 30 40 CFEB CCCN(C)c1ccc(C(=O)N(CC)CCC#N)cc1 75105253 ZEEUYXJBSAGHKU-UHFFFAOYSA-N 273.380 2.909 30 40 CFEB CCCC(C#N)(CCC)NC(=O)CC(F)(F)F 89949490 WORBGHOYVZXCNL-UHFFFAOYSA-N 250.264 2.918 30 40 CFEB C=CCCC(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889114159 KFMDLHDXTVXKBS-UHFFFAOYSA-N 289.404 2.774 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(C#N)cc1 3223343 FFQKHTCXCMRKBE-IUODEOHRSA-N 272.348 2.632 30 40 CFEB O=C1CSC(=Nc2ccc3c4c(cccc24)CC3)N1 239562681 KHZWULPMKDYXAG-UHFFFAOYSA-N 268.341 2.789 30 40 CFEB CN(C)c1ccc(/C=N\Nc2ccc(C(=O)O)cc2)cc1 31792035 DTWNUYXSPNCMOJ-BOPFTXTBSA-N 283.331 2.897 30 40 CFEB Cc1ccccc1NC(=O)[C@H](C#N)Cc1ccncc1 420091 ZMPVMQWYAKSHGX-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB N#Cc1ccc[n+](CC(=O)c2ccc3ccccc3c2)c1 1578150 ZIUCMRGPJFGUST-UHFFFAOYSA-N 273.315 2.882 30 40 CFEB O=C(Nc1cccc(Cl)c1)OCC#CCN1CCCC1 1698111 ARFAGUMSEYHDPD-UHFFFAOYSA-N 292.766 2.988 30 40 CFEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccco1 25605497 FBWDZFOJGJKOEV-HWKANZROSA-N 256.257 2.947 30 40 CFEB COc1ccc(CCNC2=CC(=O)C[C@H](C)C2)cc1OC 5211398 FDIWCDJCDZRIDV-GFCCVEGCSA-N 289.375 2.719 30 40 CFEB CC(=O)Nc1cccc(/C(C)=N/Nc2nc(C)cc(C)n2)c1 6672219 LVUOWMBWNGXHQD-UDWIEESQSA-N 297.362 2.888 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/Nc2cccc([N+](=O)[O-])c2)c1 5753916 NALHBLCNOAXUQO-NTEUORMPSA-N 286.247 2.949 30 40 CFEB C=C(C)CNC1CCN(CCc2ccc(F)cc2)CC1 130839745 GCKQCKKEFDKVQA-UHFFFAOYSA-N 276.399 2.998 30 40 CFEB CC[C@]1(c2ccc(Br)cc2)O[C@H]1C(=O)OC 85657596 IBEWDLLHKSNBQD-CMPLNLGQSA-N 285.137 2.626 30 40 CFEB C=CCC[C@H](O)CN1CCC(Nc2ccccc2)CC1 96473592 ITEKLWMFUZCGMK-KRWDZBQOSA-N 274.408 2.890 30 40 CFEB CC/N=C(\NCC)NCc1cccc(Br)c1 66243825 XCCVWMJDYHHCHY-UHFFFAOYSA-N 284.201 2.524 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1CCOc1cc(N)ccc1C#N 1661465 FBASXSODSJYVLL-CHWSQXEVSA-N 273.380 2.782 30 40 CFEB Cn1cc(C(=O)/C=C/c2ccccc2OC(F)F)cn1 6925528 YLENXWDTQZRSIB-VOTSOKGWSA-N 278.258 2.918 30 40 CFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 107335494 DBONCZZEYZBHRG-VIRABCJISA-N 288.391 2.580 30 40 CFEB CN(CCC#N)C(=O)c1cnn(-c2cccc(Cl)c2)c1 58209590 JZSJDHYWAWSJCZ-UHFFFAOYSA-N 288.738 2.511 30 40 CFEB N#Cc1c(Cl)nsc1NC[C@H](O)c1ccc(F)cc1 58218751 IGMKYOAUGTVRBC-JTQLQIEISA-N 297.742 2.953 30 40 CFEB C=CCN(Cc1cccs1)C(=O)c1ccncc1 58393139 ZWXOFYXWABRMTP-UHFFFAOYSA-N 258.346 2.972 30 40 CFEB CC1(C)CC(=O)C(=NNc2cccc(F)c2)C(=O)C1 108160136 HTMRTTNNSRAMQI-UHFFFAOYSA-N 262.284 2.552 30 40 CFEB CCOC(=O)/C(Cl)=N/Nc1ccc(C)c(C)c1 100415253 TXOQUMHFRHDEHK-PTNGSMBKSA-N 254.717 2.831 30 40 CFEB N#Cc1ccccc1C(=O)c1ccc(CN2CCC2)cc1 2514606 QUBHTRGESNNQRC-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB CCOc1cc(C#N)ccc1OCc1cccnc1 20176047 IHWHVXAVZOWUIU-UHFFFAOYSA-N 254.289 2.931 30 40 CFEB CCOC(=O)/C(C#N)=N\Nc1cc(Cl)ccc1Cl 16682064 PIWHYKVIOPXAML-YBEGLDIGSA-N 286.118 2.848 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCCOc2cccc(C#N)c2)c1 69558615 XZLYKMLXEZHQNF-HUUCEWRRSA-N 298.390 2.681 30 40 CFEB COc1ccc(N/C(N)=N\C[C@@H](OC)c2ccccc2)cc1 72272432 YUPKVUGBQBLIJL-MRXNPFEDSA-N 299.374 2.810 30 40 CFEB C#CCNC(=O)N(C)CCc1cccc2ccccc12 89346456 ZWGQKJPHLDPYAY-UHFFFAOYSA-N 266.344 2.657 30 40 CFEB CC/N=C(\NCc1c(C)noc1C)NC[C@@H](C)C(C)C 176990888 YAHGUMLZDFCXMI-LLVKDONJSA-N 280.416 2.639 30 40 CFEB C=CCOCc1ccc(Br)cc1C(=O)O 72209164 REXGZTSORQKSNZ-UHFFFAOYSA-N 271.110 2.850 30 40 CFEB CC(C)(C)c1cnc([S@@](=O)CCCC#N)s1 123542461 KWGWZMNTBWNUNL-MRXNPFEDSA-N 256.396 2.852 30 40 CFEB Cc1c(-c2ccc(/C=C/C(=O)NO)o2)cccc1[N+](=O)[O-] 226290533 MRSBLOZOZODREJ-SOFGYWHQSA-N 288.259 2.682 30 40 CFEB CC(C)n1nc(OCc2ccc(F)cc2)c(C#N)c1N 225831599 NKEQWYHYMOZUGK-UHFFFAOYSA-N 274.299 2.636 30 40 CFEB CC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F 1565660563 IGMITVJQFDMVGJ-UHFFFAOYSA-N 288.134 2.763 30 40 CFEB Cc1nc(COC(=O)c2cccc(C#N)c2)cs1 40159187 MCPFBRWDSGZBHI-UHFFFAOYSA-N 258.302 2.680 30 40 CFEB Sc1nnc(-c2ccccc2)n1/N=C/c1cccnc1 1245014 KVLBOHIKTCDLMC-MHWRWJLKSA-N 281.344 2.511 30 40 CFEB O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O 102949042 CWFAFDYCTDBGBE-UHFFFAOYSA-N 277.323 2.625 30 40 CFEB CCN1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 4933880 MFLJYLFXQRIRPE-UHFFFAOYSA-N 295.770 2.922 30 40 CFEB N#CC1(NC(=O)C[C@@H]2CSCCS2)CCCCCC1 96483789 CBEZLWGJIFRKBV-GFCCVEGCSA-N 298.477 2.958 30 40 CFEB C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)CCC1=O 95448984 ARQJBUWHEMVLMS-IUODEOHRSA-N 284.359 2.522 30 40 CFEB C=CCOc1cccc(-n2nc3cc(N)c(F)cc3n2)c1 216871397 LIAGQZKJNYAGQE-UHFFFAOYSA-N 284.294 2.707 30 40 CFEB C=CCOC(=O)c1snnc1-c1cccs1 223846234 RNXBHRGQAMVLNJ-UHFFFAOYSA-N 252.320 2.609 30 40 CFEB COc1ccc(Cn2nc(C(C)C)c(C#N)c2N)cc1 225847514 DEXPIUTZRKRDHQ-UHFFFAOYSA-N 270.336 2.517 30 40 CFEB Cc1nc(C#N)c(C#N)n1Cc1cccc(C(C)C)n1 97104464 HOTAYPNQTVUATC-UHFFFAOYSA-N 265.320 2.502 30 40 CFEB C[C@H]1C[C@@H](c2ccsc2)CN1S(=O)(=O)CCCC#N 96421288 OAGVLMDLGJAOPT-WCQYABFASA-N 298.433 2.559 30 40 CFEB C=C(Cl)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 96483370 YSWBBZMLDXDBTG-PWSUYJOCSA-N 288.819 2.974 30 40 CFEB C=C(C)C(=O)OCCO[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12 254745026 HZCOEAIFIFURAN-CAEXGNQWSA-N 262.349 2.723 30 40 CFEB C=C1CCC=C(C(=O)O)C[C@H](O)[C@@H]2[C@H]1CC2(C)C 299753954 LMJMJHGFJXZGDE-AVGNSLFASA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro C[C@@](C#N)(NN[C@@](C)(C#N)c1ccccc1)c1ccccc1 19170665 AVHSUXXHYWTSRW-ROUUACIJSA-N 290.370 2.959 30 40 CFEB CN(c1cccc(/N=C/c2ccccc2)c1)S(C)(=O)=O 19855686 IKSMGYKSKRFQSJ-FOWTUZBSSA-N 288.372 2.833 30 40 CFEB C/C(=N/NC(=S)NC1CCCCC1)c1ccccn1 5493522 NHLSZYPMCMMCMK-BOPFTXTBSA-N 276.409 2.602 30 40 CFEB N#CC1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 156025121 YEVRUURIPNWCJJ-UHFFFAOYSA-N 268.360 2.771 30 40 CFEB O=C(Nc1ccccc1)/C(O)=C\C(=O)c1ccccc1 100668151 VYTANSFCJLTITO-RVDMUPIBSA-N 267.284 2.950 30 40 CFEB C=CCn1c(=O)n(C(=O)OCC)c2cc(Cl)ccc21 1397826 CTPXEUWMWIOEDQ-UHFFFAOYSA-N 280.711 2.647 30 40 CFEB CC(C)(C)N1C(=O)[C@@](Cl)(C#N)[C@@H]1c1ccccc1 1588407 IUUXVIAQAHVDPJ-SMDDNHRTSA-N 262.740 2.870 30 40 CFEB C=C(C)COC(=O)C(=O)c1c(C)[nH]c2ccccc12 47778471 VSMOWEYEQUKTMZ-UHFFFAOYSA-N 257.289 2.778 30 40 CFEB S=C(NCc1ccccc1)N/N=C1/C[C@@H]2CC=C[C@H]12 34780018 ABOXPRAGRAKURS-ZFZJTJTISA-N 271.389 2.603 30 40 CFEB CC(C)(C)c1nc(C#N)c(S(=O)(=O)c2ccccc2)o1 27664019 KIZASVOYZXRFDR-UHFFFAOYSA-N 290.344 2.677 30 40 CFEB COc1ccccc1/C=C/C(=O)c1c(O)cc(C)oc1=O 7742608 RFECOJZYXLKTRY-BQYQJAHWSA-N 286.283 2.559 30 40 CFEB C=CCOc1ccc(C(=O)N(C)CC2(O)CCCC2)cc1 89340178 PZZLBFIOUAOJJL-UHFFFAOYSA-N 289.375 2.629 30 40 CFEB CCc1nc(C#N)c(NCC(=O)Nc2ccc(C)c(C)c2)o1 35673403 XZMDXIIQZRCGFK-UHFFFAOYSA-N 298.346 2.776 30 40 CFEB CCCCc1nn(Cc2cccc(F)c2)c(N)c1C#N 225841631 BSPFWRWZXDGWHQ-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)C1=O 255961449 GLDQAVMCVBXSND-HUWIAUGDSA-N 289.379 2.685 30 40 CFEB COc1ccc2c(c1)CCCN(c1ccncc1C#N)C2 547824649 UCUAGZAERBYLKX-UHFFFAOYSA-N 279.343 2.915 30 40 CFEB N#Cc1cc(N)ccc1NCCc1ccc(O)cc1 41021242 RJDQNIKOLHACAZ-UHFFFAOYSA-N 253.305 2.501 30 40 CFEB CC(C)[C@@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 96336581 UKGSKSSHFORURL-GFCCVEGCSA-N 296.330 2.717 30 40 CFEB CC(C)NC(=O)c1ccc(C/[N+]([O-])=C/c2ccccc2)cc1 1561337 IUQXGSBEEYVTMT-NDENLUEZSA-N 296.370 2.954 30 40 CFEB CC1=NN(Cc2ccccc2)C(=O)/C1=N/Nc1ccccc1 102032988 QLVHXXDPUAUBLV-KNTRCKAVSA-N 292.342 2.873 30 40 CFEB C[C@H]1C/C(=N\NC(=S)NC[C@@H]2CCCO2)CC(C)(C)C1 21763009 XNDXWFLGUJGCRH-XILYZJPSSA-N 297.468 2.832 30 40 CFEB N#Cc1c(C(F)(F)F)c(N)c(-c2ccccc2)[nH]c1=O 1512507 XSOBFYJVNRZFFI-UHFFFAOYSA-N 279.221 2.515 30 40 CFEB Cn1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cn1 58265371 JIZRBSXDNOQLTB-BQYQJAHWSA-N 278.315 2.502 30 40 CFEB N#Cc1cccc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12 64873742 MHOMVKCGAFTEJC-UHFFFAOYSA-N 286.294 2.739 30 40 CFEB O=c1[nH]ncc(N/N=C/c2ccc(Cl)cc2)c1Cl 3946889 LZQZZFBPVLJNII-LHHJGKSTSA-N 283.118 2.523 30 40 CFEB N#CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851178 IZGUWMKTWMIBAE-LBPRGKRZSA-N 271.147 2.890 30 40 CFEB N#Cc1ccc(Cn2cnc3ccsc3c2=O)c(F)c1 15514466 XYLFMISOKQXOLN-UHFFFAOYSA-N 285.303 2.517 30 40 CFEB COC[C@](C)(C#N)NC(=O)C[C@@H](C)c1ccc(F)cc1F 95434107 IARBKXIDSLZGAL-BMIGLBTASA-N 296.317 2.503 30 40 CFEB CCOC(=O)[C@H]1O[C@@]1(C)c1ccc(Br)cc1 85657682 LKRBKFJICYDHNL-PWSUYJOCSA-N 285.137 2.626 30 40 CFEB CC[C@H](Nc1ccc(C#N)cn1)c1c(C)nn(C)c1C 301472468 QBZCATQFQHDNLC-ZDUSSCGKSA-N 269.352 2.867 30 40 CFEB C=CCNS(=O)(=O)c1ccc2cc(OCC)ccc2c1 41092011 NVYZEGPNHHVKKF-UHFFFAOYSA-N 291.372 2.703 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2cccc(C)c2)n1 223669651 FZNLKPHLAJYNEP-UHFFFAOYSA-N 284.388 2.942 30 40 CFEB CC[C@H]1c2ccccc2CCN1CCC(=O)N(C)CCC#N 92797005 JUNRHYVUYCLCTA-KRWDZBQOSA-N 299.418 2.758 30 40 CFEB N#Cc1nccnc1N1CC2(CC(c3ccccc3)C2)C1 1775995944 OHDPVZNYDNXFGO-UHFFFAOYSA-N 276.343 2.732 30 40 CFEB CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cccc(Cl)c1 75110389 ZPWWDIUGFZLWTJ-NSHDSACASA-N 286.784 2.557 30 40 CFEB O=C1C=C2OCOC2=C/C1=C\C=C\c1ccccc1 17062753 VPMDULOGKIZXLV-ZAUJTXRMSA-N 252.269 2.981 30 40 CFEB CCCC[C@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 1684406 BMKFSYAXODOSHM-JLATVTFTSA-N 281.268 2.533 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/N=C/c2ccccc2O)c1 1709490 DYEDOYDKMXCULY-KAVGSWPWSA-N 269.260 2.753 30 40 CFEB N#Cc1ccc(C(=O)COCc2ccccc2)cc1 50159314 WIHKFONKIYGXGH-UHFFFAOYSA-N 251.285 2.958 30 40 CFEB N#Cc1ccc(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1 100449779 KSHPJPJXUBRPEF-BETUJISGSA-N 257.289 2.632 30 40 CFEB N#CCCCOC(=O)CSc1ncnc2sccc12 21730210 BWIKYVXXHGBIMF-UHFFFAOYSA-N 293.373 2.630 30 40 CFEB CCCCOc1ccccc1/C=N/N=C(\S)NC 6756978 JULONQDECAYTOQ-XNTDXEJSSA-N 265.382 2.705 30 40 CFEB C=CCn1nnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)n1 10010796 FHXJQWWFSCTVMK-JXMROGBWSA-N 297.362 2.634 30 40 CFEB C[C@H]1CCC[C@@H](C)N1/N=C/c1ccccc1C(=O)O 3314218 JKDLWISMCYGBAF-MTCUZCOSSA-N 260.337 2.982 30 40 CFEB CC(C)(C)OC(=O)NCCC/C(=N\O)c1cccnc1 22115889 WDUTZEGDLXIRSG-SFQUDFHCSA-N 279.340 2.565 30 40 CFEB C=CCN1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 13322600 JMDRVFRVQRZGSK-INIZCTEOSA-N 272.392 2.510 30 40 CFEB COc1ccc(/C=N/C[C@@H]2COc3ccccc3O2)cc1 18086461 ZXCNJOYESMHLQH-BFERYNQYSA-N 283.327 2.954 30 40 CFEB CC/N=C(\NCC)NCc1c(F)cccc1OC(F)F 72914252 RZTUOQAGYUZFTM-UHFFFAOYSA-N 289.301 2.502 30 40 CFEB Cc1cccc(N2CCN(c3ccnc(C#N)c3)CC2)c1C 285719815 SCDYVSATMFVNGM-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB COc1ccc([C@@H](C#N)N2CCCCC2)cc1OC 49573688 FQELSXKYURXBIN-CYBMUJFWSA-N 260.337 2.754 30 40 CFEB C=CCCC(=O)NCc1c(Cl)cccc1OC 191880603 QKJVTMQNMLXAKG-UHFFFAOYSA-N 253.729 2.931 30 40 CFEB Cc1cccc(N/C(O)=N/[C@@H](CC(C)C)C(=O)O)c1 82066718 UIXBCLDMVZEHGO-LBPRGKRZSA-N 264.325 2.820 30 40 CFEB COc1cccc([C@H](OC[C@H]2CO2)C(F)(F)F)c1OC 95095959 SWJSSHNPBVAHQW-PELKAZGASA-N 292.253 2.723 30 40 CFEB C=CCN(C[C@@H]1C(C)=CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 249068064 JBSFWONWUVKEQT-OWCLPIDISA-N 297.464 2.654 30 40 CFEB N#CC1(c2nc(Cc3c[nH]c4ncccc34)no2)CCCC1 274204776 RVWHXGIMHOTTBK-UHFFFAOYSA-N 293.330 2.872 30 40 CFEB COC[C@@H](C)NC1CCC(Oc2ccccc2C#N)CC1 95983696 QHXZXKRGVIKFEB-IUDNXUCKSA-N 288.391 2.873 30 40 CFEB CC(/C=C/c1ccco1)=N/NC(=S)NCC(C)C 17160212 RATZNDYRSWXWNM-XQPUDBDJSA-N 265.382 2.789 30 40 CFEB NC(=S)N/N=C/c1ccc(-c2ccccc2)cc1 1699616 ZGTAYOMAARHFLW-MHWRWJLKSA-N 255.346 2.521 30 40 CFEB CN(C)C(=O)O/N=C(/c1ccccc1)C(F)(F)F 5599641 PYJGZUQSCKYFGF-DHDCSXOGSA-N 260.215 2.651 30 40 CFEB COc1ccc(/C=N\Nc2nccs2)c(OC)c1 31854314 RJBOLDIXWUMGRK-ZSOIEALJSA-N 263.322 2.606 30 40 CFEB N#Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 4524579 RWWHDWGTLIGQBC-UHFFFAOYSA-N 263.511 2.867 30 40 CFEB CNC(=O)c1ccc(CN(CCC#N)Cc2ccco2)cc1 25947644 FFYIHJDZQYZDNR-UHFFFAOYSA-N 297.358 2.555 30 40 CFEB N#C[C@H](C(=O)Nc1ccncc1)c1nc2ccccc2s1 58331269 GBYGKFVYALZNLA-LLVKDONJSA-N 294.339 2.937 30 40 CFEB CCCc1cc(=O)[nH]c(N/N=C/c2ccccc2Cl)n1 3946818 DGHDGDAQVARZRY-CXUHLZMHSA-N 290.754 2.822 30 40 CFEB COc1cc([N+](=O)[O-])ccc1NC1=CC(=O)CCC1 5210418 BDUBYPQFPJUIKW-UHFFFAOYSA-N 262.265 2.652 30 40 CFEB Cc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 5628038 GLILZBSMMGVCAC-UHFFFAOYSA-N 290.326 2.855 30 40 CFEB CN(C)C1(CNC(=O)c2ccc(C#N)cc2)CCCCCC1 14903401 OBYWRUHMBSYVEJ-UHFFFAOYSA-N 299.418 2.943 30 40 CFEB CCN(CC#N)C(=O)C1(c2cccc(F)c2)CCC1 68915832 WZIPESVWFAXVBK-UHFFFAOYSA-N 260.312 2.619 30 40 CFEB C#CCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 31903350 LTGIAGVFJPLDAY-HNNXBMFYSA-N 281.359 2.743 30 40 CFEB O=S(=O)(N/N=C\c1cccc(Cl)c1)c1ccccc1 31772467 MHDDDRMVMUQHTI-GDNBJRDFSA-N 294.763 2.652 30 40 CFEB CCc1cc(C)n(Cc2ccccc2C(=O)O)c1C#N 78405298 FRPMGMRJODBBJB-UHFFFAOYSA-N 268.316 2.977 30 40 CFEB CN(/C(N)=N/CCc1csc2ccccc12)C1CC1 181466527 YMIOLPZMOIVNML-UHFFFAOYSA-N 273.405 2.853 30 40 CFEB N#Cc1ccccc1Cn1ccc(-c2ccccn2)n1 216692912 JGGPKECNISARKI-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB Cc1ccc(NC[C@@H]2CCN(c3ccc(C#N)cn3)C2)nc1 97200955 PCZMFAFWPRYAKG-HNNXBMFYSA-N 293.374 2.595 30 40 CFEB C#CCSc1ccc(COC(=O)c2cnc(C)cn2)cc1 252479492 BGHBDCDROBLSJX-UHFFFAOYSA-N 298.367 2.867 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1 260692625 BLTBGUFBWWLEJT-GFCCVEGCSA-N 290.436 2.933 30 40 CFEB CC1(C)OB(c2cc(Cl)cc3[nH]ncc23)OC1(C)C 299889626 LYWXHFDYNUGVSB-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB C=CCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47727679 QRJPIQONDIAOCB-UHFFFAOYSA-N 293.754 2.540 30 40 CFEB CCCCCCCC(=O)N(CCCCC)CC(N)=O 97971444 KAJYPIJRDYLZFX-UHFFFAOYSA-N 270.417 2.851 30 40 CFEB CCCCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169992904 LMEWNNNYYXPWTL-UHFFFAOYSA-N 277.173 2.560 30 40 CFEB N#Cc1ccc(-c2csc(N3CCOCC3)n2)cc1 8756182 NULRGXUNTNRAMQ-UHFFFAOYSA-N 271.345 2.518 30 40 CFEB CC(C)(O)CSc1nc2c(cc1C#N)CCCC2 78163507 MDXTYFQOUDKODS-UHFFFAOYSA-N 262.378 2.695 30 40 CFEB CCOC(=O)c1coc2c1/C(=N/O)CC(C)(C)C2 1775974647 YRXVXNRQMJSHSS-NTEUORMPSA-N 251.282 2.607 30 40 CFEB Cc1cc(C=O)c(C)n1-c1sc2c(c1C#N)CCN(C)C2 20131621 SYNQGTOQTPTXJW-UHFFFAOYSA-N 299.399 2.828 30 40 CFEB C[C@@H](C#N)OC(=O)c1csc(NCc2ccccc2)n1 22884086 DOQILGDIGBLWOL-JTQLQIEISA-N 287.344 2.824 30 40 CFEB CC1=CC(C)(C)N2C(=O)/C(=N/N)c3c(C)c(C)cc1c32 12465983 XTNKONNFINNJTE-QGOAFFKASA-N 269.348 2.508 30 40 CFEB O=C(NCC#CCN1CCCC1)Nc1cccc(Cl)c1 1692929 URLRLHJZHGQXHQ-UHFFFAOYSA-N 291.782 2.561 30 40 CFEB S=C(N/N=C1/C[C@@H]2C=CC[C@H]12)NC1CCCCC1 34882243 QOUPGYDICQPUFM-ANWMDLNMSA-N 263.410 2.735 30 40 CFEB CC(C)c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 26458861 DFTDQVXQUZSITE-UHFFFAOYSA-N 296.374 2.996 30 40 CFEB N#Cc1cccc(S(=O)(=O)N[C@H]2CCc3ccccc32)c1 10752648 AHLANHCEVZCJOM-INIZCTEOSA-N 298.367 2.524 30 40 CFEB COc1cccc(C(=O)/C=C2/Nc3cc(O)ccc3C2=O)c1 100224333 LGUGVUVTMUQGND-OQLLNIDSSA-N 295.294 2.776 30 40 CFEB CC(=O)Nc1cccc(NC(=S)NN=C2CCCC2)c1 45690921 JAHZPSYUMSIGJI-UHFFFAOYSA-N 290.392 2.861 30 40 CFEB N#Cc1cnn2c(/C=C\c3ccc(F)cc3)ccnc12 12957362 AZCRNKPOXGYYPZ-UTCJRWHESA-N 264.263 2.910 30 40 CFEB Nc1nnc(-c2cccc(/N=C/c3ccccc3O)c2)o1 13011546 QTHKESMZVSARGR-RQZCQDPDSA-N 280.287 2.775 30 40 CFEB C#CCNC(=O)[C@H](C)S[C@@H](C)c1ccc(F)cc1 49462437 RDMUIZCEROOISD-QWRGUYRKSA-N 265.353 2.758 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCCCCC2)c(Cl)c1 7855876 WQRQTPZNVJORPV-UHFFFAOYSA-N 292.766 2.993 30 40 CFEB COc1ccc(CC(=O)Nc2cccc(C#N)c2)cc1F 7921093 ZWOSGGJRHHNLRT-UHFFFAOYSA-N 284.290 2.887 30 40 CFEB CC[C@@H](CC#N)NC(=O)c1ccc2nc(C)ccc2c1 97140568 GGUPSOUDICOJAB-AWEZNQCLSA-N 267.332 2.965 30 40 CFEB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(C#N)cc2)C1 40118847 IENYLHWCCSWGCY-HUUCEWRRSA-N 299.418 2.656 30 40 CFEB COc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 225786792 CYVWYZQRUWPFOP-UHFFFAOYSA-N 297.152 2.679 30 40 CFEB CC(C)N(CC#CCNC(=O)c1ccccc1)C(C)C 75164442 QHOVAUWUKDRXDS-UHFFFAOYSA-N 272.392 2.539 30 40 CFEB CC(C)[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)O 17429993 XGKRTQSMOMJPIE-REPOHMLUSA-N 255.701 2.574 30 40 CFEB Cc1cc(=O)oc2c(/C=N/c3ccncc3)c(O)ccc12 16266772 JYDUFQFPMBTEQP-GIJQJNRQSA-N 280.283 2.953 30 40 CFEB COc1ccc(/C(=N\O)c2ccc(OC)cc2O)cc1 5513406 KOXRLUOOKPNXPL-FOCLMDBBSA-N 273.288 2.636 30 40 CFEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F 3456887 MLWFSUXGJZRSDH-UHFFFAOYSA-N 297.333 2.768 30 40 CFEB C#CCOC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 49031693 PRNVOEASVKGEEQ-AWEZNQCLSA-N 297.354 2.935 30 40 CFEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O 20504012 YCBWIPVGHBHOHK-ZSOIEALJSA-N 285.299 2.663 30 40 CFEB C#CC(CC)(CC)NC(=O)Cc1cnn(-c2ccccc2)c1 32900091 VGPPJJVWTJQUMY-UHFFFAOYSA-N 295.386 2.723 30 40 CFEB Cc1ccccc1COc1ccc(/C=N/NC(N)=S)cc1 478816 YWNXUJHPCMFKGI-VCHYOVAHSA-N 299.399 2.741 30 40 CFEB C=CCN(CC(=O)Nc1nc(C)cs1)C1CCCC1 48341274 IVGBDUGDJYQGDX-UHFFFAOYSA-N 279.409 2.821 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)C[C@@H]2CCOC2)c(C)c1 102707523 VMWFJYDLNMIHBM-ZFWWWQNUSA-N 285.343 2.622 30 40 CFEB CCCCCCCCCC1C(=O)N(C)C(=O)N(C)C1=O 2329750 RFZYOCGCZDZKIS-UHFFFAOYSA-N 282.384 2.794 30 40 CFEB Cc1cc(CNC(=O)COc2ccccc2C#N)ccc1F 12978415 SDBGUVJLCDYACT-UHFFFAOYSA-N 298.317 2.701 30 40 CFEB Cc1nc2scc(C)n2c1/C=N/Nc1ccccn1 5072227 WCHKKNIKPNYDGQ-VIZOYTHASA-N 271.349 2.854 30 40 CFEB C[C@@H]1Cc2ccccc2N1CC(=O)NC1(C#N)CCCCC1 9469576 FJBIBPCZNLUZBM-CQSZACIVSA-N 297.402 2.780 30 40 CFEB N#Cc1cc(F)c(N2CCCN3CCC[C@@H]3C2)c(F)c1 71899494 XVJLTQRKSWNXAS-GFCCVEGCSA-N 277.318 2.511 30 40 CFEB N#Cc1sc2c(c1N)CCN(Cc1ccccc1)C2 19925793 FPEQXMZWRYDCIV-UHFFFAOYSA-N 269.373 2.760 30 40 CFEB N#Cc1ccc(NCc2csc(C3CC3)n2)nc1 71902790 AXLWCTOVFCRNMJ-UHFFFAOYSA-N 256.334 2.899 30 40 CFEB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 69455047 CBSJLXSYVQUNEP-GJZGRUSLSA-N 289.423 2.546 30 40 CFEB C[C@H](NCc1cc(C#N)ccc1F)[C@H](C)n1cccn1 69813488 NWMVVIRDQKKNLB-RYUDHWBXSA-N 272.327 2.633 30 40 CFEB N#C[C@H](C(=O)Nc1cccnc1)c1ccc2ccccc2n1 89873139 MGNPDKVAJNOFGW-AWEZNQCLSA-N 288.310 2.876 30 40 CFEB C[C@@H](CNc1nccnc1C#N)c1ccc(F)c(F)c1 78588474 BLPGZVNMSILSBX-VIFPVBQESA-N 274.274 2.842 30 40 CFEB CC(=O)SCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169975073 ASHSNMZAFCBVQY-UHFFFAOYSA-N 292.209 2.766 30 40 CFEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N(CC)CC 13305609 OMRRCHJJOMAELS-GHRIWEEISA-N 297.786 2.970 30 40 CFEB N#Cc1ccc(SC2=NCCS2)c([N+](=O)[O-])c1 16384389 XZYOGGNIHAPGAH-UHFFFAOYSA-N 265.319 2.661 30 40 CFEB Cc1ccc(OCc2ccccc2C#N)c([N+](=O)[O-])n1 5225990 OLDQSKHZOWZUOF-UHFFFAOYSA-N 269.260 2.749 30 40 CFEB Cc1ccc(O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 5938645 UHJBBZYTEVEKTM-CJNGLKHVSA-N 274.364 2.817 30 40 CFEB N#Cc1ccc(N2CCC(c3nnc(C4CC4)o3)CC2)cn1 1888859369 WDJOIQJTYMAQMZ-UHFFFAOYSA-N 295.346 2.598 30 40 CFEB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C#N)cc1 22841670 DSJDIFBPKAEXHC-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB C=CCOc1c(N(C)C)cccc1N(CC)C(C)=O 21983960 FUAMGFGYVGITDI-UHFFFAOYSA-N 262.353 2.690 30 40 CFEB Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2)n1C 32779397 BKKSWKBZKFGCPM-UHFFFAOYSA-N 268.320 2.527 30 40 CFEB Cc1nn(Cc2ccc(C#N)cc2)c(=O)c2ccccc12 32741475 DHVMWHDIHPPNNE-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB Cn1cc(Cl)cc1C(=O)OCc1ccccc1C#N 22003275 PSFKTRKEETXITR-UHFFFAOYSA-N 274.707 2.907 30 40 CFEB CCCCNC1=C(C(C)=O)C(=O)O[C@H]1c1ccccc1 103116246 ADBVMKXMAHSYJD-HNNXBMFYSA-N 273.332 2.517 30 40 CFEB CCn1c(C)cs/c1=N/N=C/c1ccc(O)cc1 2887854 DXTKHENPDZXQBE-XBXUPPNFSA-N 261.350 2.518 30 40 CFEB C=C(C)CCOC(=O)c1ccc(C(=O)N(C)C)cc1 78949212 PPHDTKRZASLWHH-UHFFFAOYSA-N 261.321 2.511 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3[C@H]4C=C[C@@H]4[C@H]23)cc1 101046574 IXJFKIGVJVLUOZ-YTFOTSKYSA-N 276.357 2.521 30 40 CFEB C=C(C)CNC(=S)N/N=C\c1c(O)ccc2ccccc12 62772225 SQPYYNVHMSMTBO-ZDLGFXPLSA-N 299.399 2.920 30 40 CFEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccco1)NCC2 4090241 OLZWDMADCZZUBD-RAXLEYEMSA-N 299.326 2.666 30 40 CFEB biogenic C=CCn1c([C@@H]2COc3ccccc3O2)n[nH]c1=S 6293530 UXWIWMSECBUGBZ-NSHDSACASA-N 275.333 2.639 30 40 CFEB N#Cc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 9366745 SWZALANQQGXHNY-UHFFFAOYSA-N 294.310 2.972 30 40 CFEB CNc1oc(/C=C/c2ccccc2OC)nc1C#N 8377588 NALJBZJLPYGURI-BQYQJAHWSA-N 255.277 2.767 30 40 CFEB CC(C)(C)[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccco1 95407097 TXFNZUJDIZFCFY-CYBMUJFWSA-N 271.320 2.997 30 40 CFEB C#CCN(Cc1cccc(C)n1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101376121 VKCOIXZKHKNTMO-ZOBUZTSGSA-N 280.371 2.564 30 40 CFEB Cc1nn(C)c(Cl)c1CN(CCC#N)Cc1ccco1 96452799 IFNDOUTXMBQQSZ-UHFFFAOYSA-N 292.770 2.891 30 40 CFEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 351336 PKNBPSWKOWSXJH-UHFFFAOYSA-N 289.356 2.997 30 40 CFEB CCOC(=O)c1cncc(C#Cc2ccccc2)c1 161458 XYMCXALGLXBQPK-UHFFFAOYSA-N 251.285 2.658 30 40 CFEB Cc1cccc(OCCNc2ncccc2C#N)c1 24585344 MIFNDRSXKABUPV-UHFFFAOYSA-N 253.305 2.753 30 40 CFEB COC(=O)c1cccc2c1-c1ccccc1/C2=N/O 100281717 NGVLXRBIJYFIFM-PEZBUJJGSA-N 253.257 2.680 30 40 CFEB CCN(CC)CCS[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 100965134 GVFGLOFMASWGON-DDAWZUMGSA-N 256.415 2.690 30 40 CFEB CN(CCC#N)C(=O)Cn1ccc2ccc(Cl)cc21 58182287 SPUCLETZBWGFBP-UHFFFAOYSA-N 275.739 2.667 30 40 CFEB C=CCNC(=O)C[C@H](C)[C@H](CCCCC)C(=O)O 2294922 UMQNEISULVSVQF-RYUDHWBXSA-N 255.358 2.596 30 40 CFEB CC[C@@H](O/N=C/c1ccccc1)C(=O)Nc1cc(C)on1 16338981 JCYFEXBMJCGTJC-BVTUPMQUSA-N 287.319 2.751 30 40 CFEB COC(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)s1 72030035 NRFPHRNDTKXBNT-UHFFFAOYSA-N 292.360 2.947 30 40 CFEB C#C[C@H](OC(=O)c1cc2cnn(C(C)C)c2nc1C)C1CC1 97047370 HKNJVFSOMGBWCD-HNNXBMFYSA-N 297.358 2.889 30 40 CFEB N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 34220895 GHUPRNZJNUDYDG-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB Cc1ccc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])c(C)c1 225242554 PCYMJTFAIMGAHC-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccc(C)cc1 225861563 NUCBYULNVVIPKP-UHFFFAOYSA-N 269.348 2.892 30 40 CFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC=CCC1 48541044 MQVFEXANMGFTIA-TZMCWYRMSA-N 274.364 2.500 30 40 CFEB C=CCN1CCC[C@@]12CCCN(Cc1c(C)noc1C)C2 96071461 IBURBGPTAPUWCJ-QGZVFWFLSA-N 289.423 2.908 30 40 CFEB N#Cc1cc(Br)ccc1NCC1(O)CCC1 96008457 ALAOFFBHYKLREM-UHFFFAOYSA-N 281.153 2.648 30 40 CFEB CCN(CC)C(=N)/C(C#N)=N/Nc1ccc(C)cc1 67827 MWAVANUKKAQYMB-BLOLUTEISA-N 257.341 2.606 30 40 CFEB C=CCCC(=O)NCC1CCN(c2ccnc(C)c2)CC1 618254712 DWKSHZPVKJTNFH-UHFFFAOYSA-N 287.407 2.689 30 40 CFEB COc1ccc(OC)c(C(=O)Nc2sccc2C#N)c1 13972524 RVYOJQLJCUCKGG-UHFFFAOYSA-N 288.328 2.889 30 40 CFEB O=C1C[C@@H](N2CCCCC2)C=C1Nc1ccccc1 118195 POZQAXCYDPAECF-AWEZNQCLSA-N 256.349 2.810 30 40 CFEB C=CCn1c(SC)nc2c([nH]c3ccccc32)c1=O 5106727 BHTDIDKXJBFGIQ-UHFFFAOYSA-N 271.345 2.786 30 40 CFEB N#Cc1ccc(N2CCCN(Cc3cccnc3)CC2)cc1 52800335 WGJVHDDTCLVFIG-UHFFFAOYSA-N 292.386 2.666 30 40 CFEB C=CCn1c(=S)[nH]c2c([nH]c3ccccc32)c1=O 549827 HSRFYHQZSDMEAK-UHFFFAOYSA-N 257.318 2.726 30 40 CFEB C#CCOc1ccc(C(=S)N2CCCCC2)cc1 6561833 JAPUYFWROGLYDC-UHFFFAOYSA-N 259.374 2.860 30 40 CFEB C=CCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 44896544 NRDUYJLKIGJYNN-UHFFFAOYSA-N 275.739 2.750 30 40 CFEB CC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1 2490242 TZABRSKNZQQCGP-UHFFFAOYSA-N 252.364 2.783 30 40 CFEB CC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 100037239 FGXMSHHEWAZQQV-UHFFFAOYSA-N 278.070 2.975 30 40 CFEB C=CCCCN(C)C(=O)NCc1ncc(C)c(OC)c1C 84258080 NPAFSKYUJZIKNW-UHFFFAOYSA-N 291.395 2.815 30 40 CFEB N#CCCn1cc(C=O)c(-c2cccc(Cl)c2)n1 3887758 RPZCNZSREXZPOI-UHFFFAOYSA-N 259.696 2.930 30 40 CFEB C=CCCN1CCOC[C@H]1CC(=O)c1ccccc1 97162991 OBXVABOTWKRJBL-OAHLLOKOSA-N 259.349 2.536 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8267313 JZOCMECIKXACCD-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB CC(C)n1cc(C#N)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)n1 89894013 XOFNFVRNKYTHMK-RYUDHWBXSA-N 284.319 2.671 30 40 CFEB C=CCn1nnc(NCc2cccc(Cl)c2Cl)n1 32617067 XTPWHRPJJNUREV-UHFFFAOYSA-N 284.150 2.778 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 409087575 IUMQWYOSDHYKHG-DHZHZOJOSA-N 261.302 2.615 30 40 CFEB CCOC(=O)Cc1csc(N/N=C\c2ccccc2)n1 32679270 HYCVXYSPKQNDFC-DHDCSXOGSA-N 289.360 2.695 30 40 CFEB C=CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 69848653 RBIJRPYAYYBDBT-UHFFFAOYSA-N 261.325 2.657 30 40 CFEB COc1ccc(C(=O)C2=C(C)N3CCN=C3S2)cc1 41104958 FBZJTCGULJUIPQ-UHFFFAOYSA-N 274.345 2.528 30 40 CFEB N#Cc1ccc(SCCCN2CCOC2=O)c(F)c1 71921885 ZAICGKOLRYQSGW-UHFFFAOYSA-N 280.324 2.632 30 40 CFEB Cc1nc2ccccc2n1C1CN(c2ccc(C#N)cn2)C1 1776009235 WMTFUFOVPVJWEI-UHFFFAOYSA-N 289.342 2.673 30 40 CFEB COc1cccc(C#CCOC(=O)c2csc(C)n2)c1 79014768 LCKIDRPJZFYEKV-UHFFFAOYSA-N 287.340 2.669 30 40 CFEB CC[C@H](C#N)Sc1nc2ccsc2c(=O)n1CC 97103008 WBICASSVJUEIOC-MRVPVSSYSA-N 279.390 2.872 30 40 CFEB N#Cc1ccccc1OC[C@H](O)c1ccccc1F 95439005 OUXFHKRTJXEZPF-AWEZNQCLSA-N 257.264 2.810 30 40 CFEB CCOC(=O)c1cc2c(c(C#N)c1N)CCCCC2 5393422 JDAUCDXRZQLCQE-UHFFFAOYSA-N 258.321 2.586 30 40 CFEB CC(=O)Nc1c(C#N)sc2nc3c(cc12)CCC3 5480982 TYOONZOHWMEGQZ-UHFFFAOYSA-N 257.318 2.615 30 40 CFEB CC1(C)OB(c2ccc3n[nH]c(Cl)c3c2)OC1(C)C 206177870 HVJAGVGKXLYTGM-UHFFFAOYSA-N 278.548 2.516 30 40 CFEB CCOC(=O)CCCC(=O)c1ccc(C#N)c(F)c1 575361941 SEDHMFGKDNJKEP-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB O=C1C=C(NCCc2c[nH]cn2)C[C@H](c2ccc(F)cc2)C1 100235409 OCMLQMXYMAUOBH-ZDUSSCGKSA-N 299.349 2.712 30 40 CFEB CN(Cc1cccc(F)c1)C(=O)c1cccc(C#N)c1 20266761 JRKHKYTTYJXITD-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 51319114 LQNXQVCQYKZWPB-CYBMUJFWSA-N 281.359 2.771 30 40 CFEB CC1=C(C)[C@@]2(C)[C@H]3C(=O)C=CC(=O)[C@@H]3[C@]1(C)C(=O)C2(C)C 4566079 RQFQLKCULHEKLG-ZZCKCESHSA-N 286.371 2.898 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/NCc2ccccc2Cl)o1 8811420 GTDTURBONQZUGZ-OVCLIPMQSA-N 279.683 2.965 30 40 CFEB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C#N)c1 27398824 HTNCTLDAEQFKQA-UHFFFAOYSA-N 293.370 2.896 30 40 CFEB CCCC(=O)[C@@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 48524669 YPZGDVRGRAWWHJ-SNVBAGLBSA-N 289.722 2.965 30 40 CFEB CC(C)[C@@H](Sc1ccccc1)/C(O)=N/S(C)(=O)=O 66229796 UFPULJUQZZCSHC-LLVKDONJSA-N 287.406 2.719 30 40 CFEB N#Cc1ccc(Cn2nnc(-c3cccc(Cl)c3)n2)cc1 7717265 WVBAIVVYCWCNSY-UHFFFAOYSA-N 295.733 2.913 30 40 CFEB O=C(O)/C(O)=C/C(=O)c1ccc(Cl)c(Cl)c1 6887 GSOHBWOXNJUKOH-WTKPLQERSA-N 261.060 2.703 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(C)s1 96041508 FFKFSEFOABPQQG-ARFHVFGLSA-N 293.432 2.991 30 40 CFEB Cn1nccc1CCNc1cc(C#N)ccc1C(F)(F)F 97097014 FGKOISZBEWKPGU-UHFFFAOYSA-N 294.280 2.965 30 40 CFEB CCC(/C=N\NC(=N)C(=N)N/N=C/C(CC)CC)CC 17310931 YIVUHPCHLCUSNH-BUOZRGFLSA-N 280.420 2.964 30 40 CFEB N#CCCN(Cc1cccnc1)Cc1ccc2cn[nH]c2c1 159030234 QKNAHWQHBFUFKZ-UHFFFAOYSA-N 291.358 2.874 30 40 CFEB N#Cc1ccsc1NC(=O)c1cnc2ccccc2n1 6609508 LTYSOWAQHITYQE-UHFFFAOYSA-N 280.312 2.815 30 40 CFEB Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)on1 12422447 HUPCFHYWJXNWQP-UHFFFAOYSA-N 261.306 2.785 30 40 CFEB C[C@@H](CNC(=O)c1cccc(C#N)c1)N(C)c1ccccc1 40108001 HOEYGBLDMNYAHH-AWEZNQCLSA-N 293.370 2.813 30 40 CFEB C#CCNC(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 32678788 MYWXUKCNTSAYQC-UHFFFAOYSA-N 292.360 2.706 30 40 CFEB O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1 6535314 UPERCWWUZZKHCL-LREOWRDNSA-N 256.257 2.700 30 40 CFEB CC(/C=C/c1ccccc1)=N\Nc1nc(SCC#N)n[nH]1 20608330 YEHKGMLFLMTBOX-NXFWIZADSA-N 298.375 2.922 30 40 CFEB N#Cc1ccc(F)c(Cn2ncc(Cl)c(Cl)c2=O)c1 11229682 LAEKTHGVNYNEIY-UHFFFAOYSA-N 298.104 2.609 30 40 CFEB C=CCNc1oc(C(=O)c2ccccc2)c(N)c1C#N 2435577 GQCGWEJUQNILNK-UHFFFAOYSA-N 267.288 2.562 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2cccc(Cl)n2)c1 13943898 PHCHSFVLXWJACS-VGOFMYFVSA-N 292.682 2.795 30 40 CFEB Cc1ccc(CN(C)CC(=O)Nc2sccc2C#N)cc1 7903047 OURZVVBIAOFGOO-UHFFFAOYSA-N 299.399 2.999 30 40 CFEB COC[C@@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 95434104 IARBKXIDSLZGAL-ZUZCIYMTSA-N 296.317 2.503 30 40 CFEB N#Cc1c(N2CCC[C@@H](C(F)(F)F)C2)nc2ccccn12 181304444 YQVARDIJUBHYSW-SNVBAGLBSA-N 294.280 2.985 30 40 CFEB Cc1ccccc1Cn1nc(CC(C)C)c(C#N)c1N 225843971 SKOQSYFEEPPFHW-UHFFFAOYSA-N 268.364 2.892 30 40 CFEB N#Cc1ccc(C(=O)OC[C@H]2CCOc3ccccc32)[nH]1 155363922 RKMMTGLEXRWYOJ-LLVKDONJSA-N 282.299 2.609 30 40 CFEB C[C@H]1CCc2c(sc(NC(=O)CC#N)c2C#N)C1 36240662 ILBYIKWBDOYXMW-QMMMGPOBSA-N 259.334 2.597 30 40 CFEB COc1cc(C#N)ccc1OC(=O)[C@H]1CC=CCC1 24003715 ROXKIZPEKDFIAW-LBPRGKRZSA-N 257.289 2.829 30 40 CFEB CN(C)/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 58425 FVCJYQUOIBXBKX-NTEUORMPSA-N 259.265 2.750 30 40 CFEB Cc1c(NC2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C 272831 YGTVEMBXRVGVEN-UHFFFAOYSA-N 296.374 2.733 30 40 CFEB COc1ccc([C@H]2CCCC[C@@H]2OS(C)(=O)=O)cc1 1706498 QQGMFHHIXCQTFJ-KGLIPLIRSA-N 284.377 2.698 30 40 CFEB Cc1ccccc1[C@@H]1CCCC[C@H]1OS(C)(=O)=O 1706505 LHBMHKCBYLAOCR-UONOGXRCSA-N 268.378 2.997 30 40 CFEB C/C(=N\Nc1ccccc1C(=O)O)c1ccncc1 12559390 MWOKBTMSRNYEMR-MHWRWJLKSA-N 255.277 2.616 30 40 CFEB COc1ccccc1OCC(=O)OCc1cccc(C#N)c1 24965174 BLKIDARBJHUVNR-UHFFFAOYSA-N 297.310 2.689 30 40 CFEB O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 100942330 MHFRNXKOCHLVJG-UHFFFAOYSA-N 294.266 2.970 30 40 CFEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCC(=O)O 35671660 QAUWUKLKOVWEFR-UHFFFAOYSA-N 291.694 2.753 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)c1 36396464 MVJBAMDDWHBLQG-OAHLLOKOSA-N 298.386 2.501 30 40 CFEB COc1ccc([C@@H](C#N)NC(=O)OC(C)(C)C)cc1 22115965 NIWYPPKPSFAJAZ-GFCCVEGCSA-N 262.309 2.785 30 40 CFEB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43O)[C@H]1CCC2=O 96030821 LIHCHNCKGJOZKD-CZIKEKGBSA-N 288.387 2.812 30 40 CFEB in-vitro CC(C)[C@@H]1CC[C@H](C)[C@@H](C(C#N)(C#N)C(C#N)C#N)C1=O 4481970 RXUGENCIFOVTBC-FPMFFAJLSA-N 282.347 2.571 30 40 CFEB Cc1ccc(F)c(C(=O)NC2(C#N)CCSCC2)c1 95440111 RUNICIJRBSFEAV-UHFFFAOYSA-N 278.352 2.653 30 40 CFEB COc1cccc([C@@H](C#N)NC(=O)OC(C)(C)C)c1 22115957 HFVMGFMSFPRKRS-GFCCVEGCSA-N 262.309 2.785 30 40 CFEB N#C[C@@H](C(=O)c1ccnc(OC2CCC2)c1)c1ccccn1 97048958 SOQFFAIQKBZYEF-CQSZACIVSA-N 293.326 2.898 30 40 CFEB N#CCSc1ccccc1C(=O)NCc1ccccn1 40160339 JCEHSSYJTXLLSS-UHFFFAOYSA-N 283.356 2.627 30 40 CFEB CC(C)(C)[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccco1 95407098 TXFNZUJDIZFCFY-ZDUSSCGKSA-N 271.320 2.997 30 40 CFEB Cc1nnc(Oc2ccccc2C#N)c(C#N)c1C 24052892 BTMAQSLVKGZYMQ-UHFFFAOYSA-N 250.261 2.629 30 40 CFEB CC(C)c1cc(NC(=O)COc2ccc(C#N)cc2)on1 21275844 NQZAPMXTYOIMAJ-UHFFFAOYSA-N 285.303 2.687 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(C#N)cc1 32779429 VIKDYQJXDFQRMK-VXGBXAGGSA-N 272.352 2.858 30 40 CFEB CCCOC1=C(Cl)C(=O)c2cccc([N+](=O)[O-])c2C1=O 1673013 WQYWGNGAGPEXBQ-UHFFFAOYSA-N 295.678 2.851 30 40 CFEB C=CCNC(=S)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 100984407 JBSXSUZAIYIDJQ-RISCZKNCSA-N 252.427 2.948 30 40 CFEB C=C[C@@H](C)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 97142996 SNVYTIDVDWQRFY-CHWSQXEVSA-N 293.436 2.711 30 40 CFEB N#Cc1ccc(NC(=O)NCCOc2ccccc2)cc1 24747152 PXGXVTTYWJUTCJ-UHFFFAOYSA-N 281.315 2.759 30 40 CFEB CCCCN([C@H](C)c1ccccc1)S(=O)(=O)CC#N 95439643 NCYONSZYYYZZNM-CYBMUJFWSA-N 280.393 2.703 30 40 CFEB N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1CO 186663405 KJIDRUCPXXQTTC-AWEZNQCLSA-N 264.756 2.558 30 40 CFEB C=CCNC(=O)c1ccc(OC)c(COCCCC)c1 224433575 GZUORAAQEODAKM-UHFFFAOYSA-N 277.364 2.928 30 40 CFEB C=C(Br)Cn1cnc2sc(C)cc2c1=O 89698415 YPLXSJWLVXITAD-UHFFFAOYSA-N 285.166 2.675 30 40 CFEB N#Cc1ccccc1NC(=O)COc1cccc(F)c1 19847272 KBEHGKVKEIHQQQ-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CCOC(=O)/N=C(\NC(=O)OCC)c1cccc(Cl)c1 5717060 AQSJQMPUQYKUKZ-UHFFFAOYSA-N 298.726 2.989 30 40 CFEB [O-]/[N+](=C\c1ccncc1)Cc1ccccc1Br 12959144 GYLFLKHPPCGXNE-SXGWCWSVSA-N 291.148 2.974 30 40 CFEB CCc1nn(CCCC#N)c(=O)c2cc3sccc3n12 13565481 FYYGNFPXKVKPDJ-UHFFFAOYSA-N 286.360 2.577 30 40 CFEB N#Cc1cccc(COC(=O)COc2ccc(F)cc2)c1 10149462 DHWDFZADAOKCJY-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB N#Cc1ccc(Nc2ccc(N3CCCC3)nc2)nc1 40040181 MHRPBPBCVZKSDM-UHFFFAOYSA-N 265.320 2.692 30 40 CFEB Cc1ccccc1N[C@@]1(C#N)C(=O)Nc2ccccc21 348524 CWIUDZUHMUXNST-MRXNPFEDSA-N 263.300 2.778 30 40 CFEB Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cn1 32796579 VKIIDRASYBMNAW-UHFFFAOYSA-N 265.316 2.534 30 40 CFEB C#CCNC(=O)c1cc2c(s1)-c1ccccc1OC2 8937023 HQNZLLNUARXYRC-UHFFFAOYSA-N 269.325 2.671 30 40 CFEB C[C@@H](CCc1ccccc1F)C(=O)N[C@H](C)CC#N 79813247 BZJPCWYCBIPSET-NWDGAFQWSA-N 262.328 2.813 30 40 CFEB Cc1nc(-n2cnc(C#N)n2)c2c(CC(C)C)csc2n1 79832951 LCWBTKZWMBWYKQ-UHFFFAOYSA-N 298.375 2.651 30 40 CFEB N#CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1 57556035 NDPDRSNBWKFFPJ-UHFFFAOYSA-N 268.238 2.834 30 40 CFEB CC(C)/N=C(/N)SCc1ccc(-n2cccn2)cc1 44793467 WLEHVUAWZNOULN-UHFFFAOYSA-N 274.393 2.829 30 40 CFEB C=CCOCCCC(=O)N1CCC[C@@H](c2nccs2)C1 72298610 MDFKSWKNXLBHMF-CYBMUJFWSA-N 294.420 2.832 30 40 CFEB Cc1cccc2c1N(Cc1ccccc1)C(=O)/C2=N\O 46084790 DGIJJRCGHYFJEQ-VKAVYKQESA-N 266.300 2.720 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1OCC(F)(F)F 94335564 VEBYICSAJLFNRI-UHFFFAOYSA-N 270.132 2.913 30 40 CFEB in-vitro CCn1nc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1C 22238425 DJLNVZRGHICFFG-UHFFFAOYSA-N 295.390 2.915 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 5677370 SCJXQWNMXYTTLT-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB CCOC(=O)c1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1 9486363 RKFLUNMFWFVFQH-UHFFFAOYSA-N 296.326 2.503 30 40 CFEB C=CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8271387 FJJRJRCJHRGTBW-UHFFFAOYSA-N 267.332 2.666 30 40 CFEB CCOc1ccc(Cl)cc1CC/N=C(/N)N(C)C1CC1 225574631 BAQPMBYUQZCMBI-UHFFFAOYSA-N 295.814 2.690 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@]2(C#Cc3ccccc3)O[C@H]2C1 95951370 KGQUBRJIDRISHG-MAUKXSAKSA-N 299.370 2.817 30 40 CFEB O=C1/C(=C\c2ccccc2)Oc2cc(O)cc(O)c21 140449035 IVVNIXHMQKNNTE-AWNIVKPZSA-N 254.241 2.714 30 40 CFEB Cc1ccc(CNc2ccc(C#N)cn2)c(N2CCCC2)n1 97237176 OVVBXEMANQPACR-UHFFFAOYSA-N 293.374 2.869 30 40 CFEB N#Cc1ccnc(NCCc2ccc3c(c2)CCO3)c1 283766182 NYNZLHLVUKIMLB-UHFFFAOYSA-N 265.316 2.543 30 40 CFEB COC(=O)c1ccc(OCc2ccc(C#N)cc2)c(OC)c1 5453006 DJIHDQIJABKVFY-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC=CCC2)c1 103503636 RAMCDEXEFFGLOM-SWLSCSKDSA-N 298.342 2.699 30 40 CFEB CC(=O)c1cccc(OCC(=O)Nc2cccc(C#N)c2)c1 3500040 NBMFRWOTVVIAGB-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB C#CCC(C)(C)COC(=O)[C@H]1CC(=O)Nc2ccccc21 95467957 BYUWSWSKPLHBKR-ZDUSSCGKSA-N 285.343 2.705 30 40 CFEB N#CCC[C@H](C#N)Cn1ccc2sccc2c1=O 96001592 QVYMPLFVYVKFIY-SNVBAGLBSA-N 257.318 2.507 30 40 CFEB Cn1c2ccccc2c2nnc(N/N=C/c3ccco3)nc21 4457685 RQQNBLAMBPCFPD-CXUHLZMHSA-N 292.302 2.556 30 40 CFEB COC(=O)[C@@H](C)c1c(C)nn(Cc2cccc(C#N)c2)c1C 92316888 FBYVNTCJNCZOBG-NSHDSACASA-N 297.358 2.696 30 40 CFEB C=CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 408572792 IKXBGGCRTKWECX-AWEZNQCLSA-N 277.389 2.696 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CC2=CC(=O)CC[C@@H]2C1 217917214 KXRNOAJRJBOWEU-KOLCDFICSA-N 251.326 2.579 30 40 CFEB CCOCCn1c(C#N)cc(N)c1Oc1ccc(F)cc1 225883072 OLZSAGOETASBKD-UHFFFAOYSA-N 289.310 2.910 30 40 CFEB COC[C@H](C)Oc1c(N)cc(C#N)n1Cc1ccccc1C 225877370 SNBRPGFSNHKDKY-ZDUSSCGKSA-N 299.374 2.712 30 40 CFEB CCC1(O)CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 97145445 PBBCYQKJAUOOPY-UHFFFAOYSA-N 289.335 2.962 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)c1cccc(C)c1 3121148 HIVXXKNQYRGSIF-PEZBUJJGSA-N 255.273 2.593 30 40 CFEB COc1ccc2c(c1)C(=O)[C@@]1(CC2)O[C@@H]1c1cccnc1 13283819 HCJLUWDSJCXYEY-IAGOWNOFSA-N 281.311 2.729 30 40 CFEB Cc1ccc(/C=N/Nc2nc3ccccc3n2C)o1 7343348 CWXCTNQZUUHSAT-OQLLNIDSSA-N 254.293 2.921 30 40 CFEB CN(C)CC#CC1(O)c2ccccc2CCc2ccccc21 1560498 CKSWGCQQSVSVMD-UHFFFAOYSA-N 291.394 2.586 30 40 CFEB CCCCCCCCCCS(=O)(=O)CC(=O)O 1583652 CSRVRDJOQWLXHK-UHFFFAOYSA-N 264.387 2.627 30 40 CFEB Cc1cc(O)nc(N/N=C\c2c(O)ccc3ccccc23)n1 8619300 RSCIHAAMIYYCJP-MFOYZWKCSA-N 294.314 2.795 30 40 CFEB C[C@H](CCc1ccco1)NC(=O)COc1ccccc1C#N 57577819 UNJXAZDRGMGNIQ-CYBMUJFWSA-N 298.342 2.668 30 40 CFEB C#Cc1cccc(NC(=O)CN2CCc3ccccc32)c1 48316322 DKNUMEACSZGAGG-UHFFFAOYSA-N 276.339 2.669 30 40 CFEB C=CCn1c(S)nnc1Cc1nc2ccccc2s1 12016166 OYQRUTDXPZQRCN-UHFFFAOYSA-N 288.401 2.953 30 40 CFEB COC(=O)CCCCC1=CC[C@H]2C(O)=CC(=O)[C@H]2C1 104276587 WJGOIDZQTASVPJ-NEPJUHHUSA-N 264.321 2.697 30 40 CFEB CC1CCC(NC(=O)COc2cccc(C#N)c2)CC1 3416491 GSPDQWKAGGYLHN-UHFFFAOYSA-N 272.348 2.632 30 40 CFEB CO/N=C\c1ccccc1OCc1nnsc1Cl 5209547 HNCYRHFCWXLKBU-MLPAPPSSSA-N 283.740 2.751 30 40 CFEB N#CC1(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)CCCCC1 71896760 JBIQNZVADAGZAU-UHFFFAOYSA-N 295.346 2.884 30 40 CFEB CC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)cc1 97084275 PZESYPBCFKJLQN-AWEZNQCLSA-N 282.274 2.913 30 40 CFEB CN(C(=O)c1cccc2ncccc12)c1ncccc1C#N 97085614 VDXFIPBXDXYEFU-UHFFFAOYSA-N 288.310 2.778 30 40 CFEB Cc1cccc2c(N3CCC[C@H](CO)C3)c(C#N)cnc12 84230235 GBQFNRKDOKCSQR-ZDUSSCGKSA-N 281.359 2.624 30 40 CFEB C=CCOc1cc(C(=O)NC2CC2)cc2occc12 72240239 LZHALGKBDHMDAG-UHFFFAOYSA-N 257.289 2.890 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@H]1CS 79437017 VAGLKMSOSUKOHS-LBPRGKRZSA-N 251.351 2.717 30 40 CFEB CS/C(=N/C=[N+](C)C)Nc1ccc(Cl)cc1 95691584 WXYCMPUMNMFKLM-UHFFFAOYSA-O 256.782 2.771 30 40 CFEB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCC#N)o1 64003440 CLHWSUOHLMYTSD-FXOGGVSJSA-N 258.321 2.788 30 40 CFEB Cc1c(C#N)c(N2C[C@H](C)C[C@@H](CO)C2)nc2ccccc12 591462695 JPIGVCAWUYDZPG-TZMCWYRMSA-N 295.386 2.870 30 40 CFEB CC(C)=NNC1=NC(=O)[C@H](c2ccc(Cl)cc2)S1 5430896 KRIHEFMSOJMNSZ-JTQLQIEISA-N 281.768 2.996 30 40 CFEB N#CCCN(CCC#N)c1nnc(-c2ccccc2)s1 2204742 KXRMGFQUAQHZBF-UHFFFAOYSA-N 283.360 2.839 30 40 CFEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(N)=O 44085263 KZNQFHNXNUWAQV-UHFFFAOYSA-N 287.388 2.622 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(C)s2)C(O)=NC1=S 457673 MWBFGFYGKHRXDW-JXMROGBWSA-N 292.385 2.710 30 40 CFEB CSC[C@@](C)(O)CNc1ccc(Cl)cc1C#N 79017134 JVNVWABPKNAWPW-LBPRGKRZSA-N 270.785 2.738 30 40 CFEB O=C1C=C(N2CCOCC2)c2cccc3cccc1c23 1744972 BOZSJCIQKDQGPW-UHFFFAOYSA-N 265.312 2.709 30 40 CFEB COc1ccc(CCNCC#Cc2ccccc2)cc1OC 8493563 UYMATTBUARITGK-UHFFFAOYSA-N 295.382 2.888 30 40 CFEB CCc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2 20828943 JTFRLMISPSZMHQ-UHFFFAOYSA-N 285.391 2.967 30 40 CFEB C#CCNC(=O)CN(C1CC1)[C@H](C)c1ccccc1Cl 48375242 LRRHRRUJZHWPMF-GFCCVEGCSA-N 290.794 2.615 30 40 CFEB Cc1ccc(/C(N)=N/OC(=O)c2cccs2)cc1 4171337 NRSOGUSQGSRUCP-UHFFFAOYSA-N 260.318 2.534 30 40 CFEB C[C@@H](C#N)NC(=O)CN(Cc1ccccc1)c1ccccc1 95441106 MMJKSFRKZDGGMG-HNNXBMFYSA-N 293.370 2.721 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2cccnc2)cc1 5128294 KUEOLWDUVOFOJE-RMKNXTFCSA-N 267.284 2.764 30 40 CFEB C#CCOCCC(=O)Nc1ncccc1-c1ccccc1 97055141 ZBCSLBDOPIGFOV-UHFFFAOYSA-N 280.327 2.727 30 40 CFEB CN(C)CCN[C@H](C#N)c1ccc(Cl)c(Cl)c1 37940745 QWWVOZVNKLOSJU-GFCCVEGCSA-N 272.179 2.709 30 40 CFEB O=C(O)[C@@H](Cc1ccccc1)/N=C/c1ccccc1O 33368659 SPDLZINLBDKUKZ-SWEABUAFSA-N 269.300 2.507 30 40 CFEB COc1cc2c(cc1/C=N/c1ccccc1O)OCO2 409068867 JRYOEBPLPSOPHX-LZYBPNLTSA-N 271.272 2.880 30 40 CFEB N#Cc1ccc(NCc2ccccc2-n2ccnc2)cn1 195575633 GACKTAQSVKEJFI-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB N#Cc1cc(F)ccc1CSC[C@H](O)C(F)(F)F 191124209 QAQZSHMRHSHIBJ-JTQLQIEISA-N 279.258 2.854 30 40 CFEB Cc1ccc(-c2nc(C#N)c(N3CCCN(C)CC3)o2)cc1 94992886 XUDNCVONUQRGNA-UHFFFAOYSA-N 296.374 2.664 30 40 CFEB Cc1cc(C#N)nc(N[C@H](c2ncc(C)s2)C2CC2)n1 390835593 RTPRUBQEHBACAW-LBPRGKRZSA-N 285.376 2.985 30 40 CFEB CCOC(=O)c1cc2c(c(C#N)c1N)CCCCCC2 16687764 VVUWUCAMCFMALH-UHFFFAOYSA-N 272.348 2.976 30 40 CFEB FC(F)(F)c1ccccc1/C=N/n1cn[nH]c1=S 6438448 HZQXQRJMRBLSOK-PJQLUOCWSA-N 272.255 2.842 30 40 CFEB NCCC(=O)[C@H]1Cc2ccccc2C#Cc2ccccc21 642881676 UVYNBLZWRMXNTO-SFHVURJKSA-N 275.351 2.644 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(C)s2)c1 41636949 NOLUDJHLXVHURI-UHFFFAOYSA-N 277.370 2.839 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1ccc2ccccc2n1 42295879 XVVRHFDRWWNBCM-GFCCVEGCSA-N 267.332 2.857 30 40 CFEB CC(C)(C)C(=O)/N=C(\N)Nc1nc2ccccc2s1 12436462 QGGXJWSTLRTMJD-UHFFFAOYSA-N 276.365 2.596 30 40 CFEB Cc1cnc(C(C)(C)NC(=O)c2cccc(C#N)c2)s1 79749208 VUGYOXXXTALCHL-UHFFFAOYSA-N 285.372 2.988 30 40 CFEB CN(C)c1ccc(N/C(S)=N\C[C@@H]2CCCO2)cc1 8684233 XKWWXQRVBNYOAD-ZDUSSCGKSA-N 279.409 2.629 30 40 CFEB C#CCNC(=O)c1ccc(Sc2ccccn2)cc1 58228272 CARRPUNAKJCIGN-UHFFFAOYSA-N 268.341 2.596 30 40 CFEB Cc1ccc(C[C@@H](C#N)Sc2nnnn2C2CC2)cc1 12866501 QTHLODFXOBLIIR-ZDUSSCGKSA-N 285.376 2.543 30 40 CFEB N#Cc1ccccc1COc1ccc2c(c1)OCO2 11834190 FKNKLFGCEOXPOF-UHFFFAOYSA-N 253.257 2.866 30 40 CFEB CC(C)N(C)CC1CCN(c2ncccc2C#N)CC1 48571440 XUYIMGJLJNFRRY-UHFFFAOYSA-N 272.396 2.510 30 40 CFEB N#CC1(NC(=O)COc2ccc(F)cc2F)CCCCC1 14199457 YLZNOTOGSIUSRP-UHFFFAOYSA-N 294.301 2.686 30 40 CFEB Oc1ccccc1/C=N/Nc1nncc2ccccc12 4837442 VBRLTPXPYFYOQP-LICLKQGHSA-N 264.288 2.781 30 40 CFEB COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1 97106976 CKOGDKVYNUMKOQ-UHFFFAOYSA-N 296.326 2.836 30 40 CFEB COc1ccc(/N=C2\C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 18121776 YKKVNVFRDGMHKO-UHFFFAOYSA-N 297.270 2.676 30 40 CFEB C=C(Cl)CN1CCN(c2cccc(F)c2C#N)CC1 40088677 XVQVETITDPITJK-UHFFFAOYSA-N 279.746 2.572 30 40 CFEB N#Cc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210411 ONEATJWTVLLDFY-UHFFFAOYSA-N 285.324 2.896 30 40 CFEB CC(C)(C)OC(=O)Nc1cccc(C(=O)O)c1C#N 199766367 XDJKPWXFLLYLQM-UHFFFAOYSA-N 262.265 2.603 30 40 CFEB N#Cc1c(F)ccc(I)c1Cl 95803136 PHOHSMLUOXXLNH-UHFFFAOYSA-N 281.455 2.955 30 40 CFEB CP(C)(=O)c1cc(Br)ccc1C#N 1772797046 YUAZFDSEJNABNK-UHFFFAOYSA-N 258.055 2.569 30 40 CFEB CC#CCCNC(=O)CCCOc1ccc(C)c(C)c1 95467363 HEXCBVZNMAXACH-UHFFFAOYSA-N 273.376 2.992 30 40 CFEB CC(=O)c1c(Nc2ccccc2C#N)oc(C)cc1=O 100336280 BTNHEAAUNCSSMQ-UHFFFAOYSA-N 268.272 2.766 30 40 CFEB N#Cc1cccc(COc2ccccc2C(=O)O)c1 13411967 UKRAURQKXLLQFW-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB C/C(=C\C(=N\NC(=N)N)c1ccccc1)c1ccccc1 17002857 WKPRTJBTWLBDOQ-OLVUBZDSSA-N 278.359 2.977 30 40 CFEB COc1cc(OC)c(/C=N/Nc2ccccn2)c(OC)c1 5694454 QNKRYRFVXJYUED-LICLKQGHSA-N 287.319 2.553 30 40 CFEB COc1ccc(CCN(C)c2ccc(C#N)cn2)cc1OC 30561232 NNKIDGPNISWXPG-UHFFFAOYSA-N 297.358 2.649 30 40 CFEB Cc1[nH]cnc1CSCCNC1=CC(=O)CC(C)(C)C1 100430879 YGHFNEKLHMTZAS-UHFFFAOYSA-N 293.436 2.814 30 40 CFEB C=CCO/N=C(\CCC)C1C(=O)CC(C)(C)CC1=O 102899977 ANNKFUXBUWSQAB-LFIBNONCSA-N 265.353 2.920 30 40 CFEB N#Cc1ccc(NCc2ccc(O)c(F)c2)c([N+](=O)[O-])c1 78020336 FXDLQYZOZGGLGV-UHFFFAOYSA-N 287.250 2.923 30 40 CFEB CCOC(=O)c1c(C#N)cnn1-c1cccc(Cl)c1 1400497 AEGRNQDXMGAPJN-UHFFFAOYSA-N 275.695 2.574 30 40 CFEB N#CC1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 60989626 OOBAKHNLXKPLIT-UHFFFAOYSA-N 297.811 2.889 30 40 CFEB N#Cc1cc(F)c(NCCc2nnc3ccccn23)c(F)c1 65589674 YPBMKWFEABSNCK-UHFFFAOYSA-N 299.284 2.534 30 40 CFEB N#Cc1cccc(CN2CCC(c3cn[nH]c3)CC2)c1 97202929 FMGIQKQBEPEIRO-UHFFFAOYSA-N 266.348 2.661 30 40 CFEB CN(C)[C@H](Cc1ccc(C#N)cc1)C(=O)c1ccccc1 6544296 JHADWHLKPDXQLN-QGZVFWFLSA-N 278.355 2.914 30 40 CFEB Cc1cc2c(=O)n(Cc3ccccc3C#N)cnc2s1 5556171 APSOJZFGAMJIRZ-UHFFFAOYSA-N 281.340 2.686 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(O)c1 96341526 XDMXZBNIOIWILE-RUDMXATFSA-N 298.294 2.995 30 40 CFEB CC(C)CSCC(=O)Nc1sccc1C#N 69050106 WOALALKOOLHIIZ-UHFFFAOYSA-N 254.380 2.947 30 40 CFEB COc1cc(C#N)ccc1Cn1ccnc1C(C)C 97053375 RMCFCXRUMINDQZ-UHFFFAOYSA-N 255.321 2.935 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@H](C)CC#N 95947867 CRVYKTAWAFMOJT-GFCCVEGCSA-N 297.358 2.953 30 40 CFEB CCNC(=S)N/N=C/c1cc(C)n(C(C)(C)C)c1C 33855657 HIANVHIPBMSWKD-CXUHLZMHSA-N 280.441 2.678 30 40 CFEB N/N=C1/C[C@H](C(=O)O)[C@H]2c3ccccc3-c3cccc1c32 217613787 UJTAOKCPHZWBHD-FNWYQMQTSA-N 278.311 2.566 30 40 CFEB CN1CCN(CCCSCC#N)[C@H](c2ccccc2)C1 95442072 ZBUPLRARGSJKSM-INIZCTEOSA-N 289.448 2.622 30 40 CFEB O=C(O)C(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 13114373 KXDNOXLPGNLWBQ-KAMYIIQDSA-N 280.279 2.607 30 40 CFEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@@H](C)CC1=O)N2 14164810 SFTZXQPWOCEKQD-QLJPJBMISA-N 294.358 2.855 30 40 CFEB Cc1nnc(N2CCc3sccc3C2)c(C#N)c1C 29443092 YNEPIPPZBRWPND-UHFFFAOYSA-N 270.361 2.589 30 40 CFEB N#Cc1cccc(C(=O)NCc2cncc(C3CC3)c2)c1 575605736 AUCWETURJPCQGP-UHFFFAOYSA-N 277.327 2.761 30 40 CFEB Cc1ccc(N/C=C\C(=O)C2C(=O)CCCC2=O)cc1C 100102446 MBTWVNKZOUHKBT-HJWRWDBZSA-N 285.343 2.736 30 40 CFEB O=C1C=C(NCCc2c[nH]cn2)C[C@H](c2cccs2)C1 100233241 NWNSESZDSYRQIS-NSHDSACASA-N 287.388 2.634 30 40 CFEB CC(C)C[C@](C)(C#N)NC(=O)COCc1ccccc1 71186154 OMIXJBCAQXVKHS-MRXNPFEDSA-N 274.364 2.648 30 40 CFEB C=CCNC(=O)CSc1nc2cc(C)ccc2cc1C#N 4125246 LDNFKLVYUJTWIW-UHFFFAOYSA-N 297.383 2.809 30 40 CFEB Cc1c(NCc2cc(F)ccc2C#N)cccc1C(N)=O 95413665 BIHSXEPUHZRPJE-UHFFFAOYSA-N 283.306 2.717 30 40 CFEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccccc2O)c1 33849787 IVLAJZAWUQXYSU-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB C[C@H](CNc1nccnc1C#N)c1ccc(F)c(F)c1 78588485 BLPGZVNMSILSBX-SECBINFHSA-N 274.274 2.842 30 40 CFEB O=C1CSC(=S)N1/N=C/C=C\c1ccccc1 34888753 RIFLNDCTXVHQQR-PZADHXCOSA-N 262.359 2.546 30 40 CFEB CO[C@]1(C)C[C@@H](NC(=O)c2cccc(CC#N)c2)C1(C)C 73257248 GNULYVFTGZGHQH-RHSMWYFYSA-N 286.375 2.686 30 40 CFEB N#CC1(C(=O)N2CCc3sccc3C2)CCCC1 42010622 DFXAAUIAKRERLA-UHFFFAOYSA-N 260.362 2.717 30 40 CFEB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(C#N)c1 40108259 MSWFMQRPOYGHOT-CZUORRHYSA-N 286.375 2.883 30 40 CFEB O=C1C2=C(CCCCC2)N=C2C=C(Br)C=N[C@@H]12 98175385 BBTGVDLUVULYSK-GFCCVEGCSA-N 293.164 2.960 30 40 CFEB C#CCOc1ccc(C(=O)N2CCCC2)cc1Cl 95944296 OKSJEFCRMXXDCS-UHFFFAOYSA-N 263.724 2.588 30 40 CFEB COc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c(F)c1 95096110 URNFQTIYNZFDTH-GZMMTYOYSA-N 280.217 2.853 30 40 CFEB N#Cc1ccc(N[C@H]2CCCN(c3ncccn3)C2)c(F)c1 65532976 FVNKKRHEHLJBCU-ZDUSSCGKSA-N 297.337 2.568 30 40 CFEB COC(=O)[C@@H](C)CSCc1cc(C#N)ccc1F 78825190 NWIYICDRSOWBMV-VIFPVBQESA-N 267.325 2.740 30 40 CFEB CCOC(=O)C1=C2C(=CC1=O)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H]2C 5030057 HUINLMNLDWXWDJ-VLEAKVRGSA-N 262.349 2.913 30 40 CFEB C=CCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 2087043814 PEUZAAKDTINKRM-UHFFFAOYSA-N 283.306 2.878 30 40 CFEB COc1ccc(Cl)cc1N/C=C1\C(=O)C=C(C)OC1=O 100834382 RNDFLTGTQLGLHC-JXMROGBWSA-N 293.706 2.674 30 40 CFEB CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 103502537 DDBLHZVSIICQKZ-HNNXBMFYSA-N 298.386 2.929 30 40 CFEB C=C(Br)CN1CC[C@H](CN(C)CCC)C1 79014974 JSDFVZLYBMHGLD-GFCCVEGCSA-N 275.234 2.559 30 40 CFEB COc1ccc(/C=C/c2ccnc3c(C#N)cnn23)cc1 6457589 UREZKDMCGZKCHE-GORDUTHDSA-N 276.299 2.780 30 40 CFEB CCCCCCCNC(=O)C(=O)NCc1cccc(C)c1 408706628 BBBPOCIVERUEAW-UHFFFAOYSA-N 290.407 2.698 30 40 CFEB S=C(NCc1ccccc1)N/N=C/[C@@H]1CC=CCC1 7013380 IDXIZZBMSLETCK-RFRKOGIWSA-N 273.405 2.993 30 40 CFEB CC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21 91692341 ZMOLHVSIRMEEPA-UHFFFAOYSA-N 290.363 2.901 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(C#N)cc2F)c1 69597526 ZSOSZFJZTFBKHG-CHWSQXEVSA-N 286.354 2.942 30 40 CFEB CN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCCC1 70789342 OMNNHEFGCPMJSN-UHFFFAOYSA-N 260.297 2.630 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CNc1ccc(F)c(C)c1 88533135 MDHJBCJNOIRZNR-LLVKDONJSA-N 277.343 2.554 30 40 CFEB N#Cc1cc(I)cn1-c1ccccc1 226033400 NCCLYMYFDMOTCB-UHFFFAOYSA-N 294.095 2.954 30 40 CFEB COC(=O)C(C)(C)N(C)Cc1ccccc1C(C)(C)C#N 95425735 QACNQBIAFCFLEG-UHFFFAOYSA-N 288.391 2.871 30 40 CFEB Cc1cc(C(=O)NC2(C#N)CC2)ccc1NC(=O)CC(C)C 76041508 ZWBPHPKYENTIAH-UHFFFAOYSA-N 299.374 2.766 30 40 CFEB C#Cc1cccc(NC(=O)c2cn3ccc(C)cc3n2)c1 84250782 INWFAWRXSANRPW-UHFFFAOYSA-N 275.311 2.876 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccccc1 100438874 BEFDHKHQIOOKDD-JLHYYAGUSA-N 265.268 2.784 30 40 CFEB Cc1ccc([C@@H](O)CNCc2ccc(C#N)cc2)cc1 58264084 WEBAACZGNTVQHO-KRWDZBQOSA-N 266.344 2.690 30 40 CFEB N#Cc1ccc(Oc2nccnc2C#N)cc1Cl 195573718 KPZDMOUCYSPADA-UHFFFAOYSA-N 256.652 2.666 30 40 CFEB N#Cc1ccc(N2CCC[C@H](CO)C2)cc1C(F)(F)F 36227707 ASXBZYSNXGYROJ-JTQLQIEISA-N 284.281 2.786 30 40 CFEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(F)cc1 18219415 RANCKKDYFVPFGY-PSLIRLAXSA-N 298.321 2.685 30 40 CFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCO1 31079927 SIJPHZTUYOMMBP-KRWDZBQOSA-N 292.338 2.599 30 40 CFEB N#Cc1cc2nc3c(nc2cc1C#N)-c1ccccc1C3=O 140483 IFMXFOZOZPDSRE-UHFFFAOYSA-N 282.262 2.585 30 40 CFEB C=CCNc1oc(-c2ccc([N+](=O)[O-])cc2)nc1C#N 2371074 IWSMJPKEROUBBR-UHFFFAOYSA-N 270.248 2.719 30 40 CFEB CNC(=O)c1ccc(/C=C/C(=O)c2ccc(C)o2)cc1 12892193 GPPVBFFLVOBIFB-RMKNXTFCSA-N 269.300 2.844 30 40 CFEB CCC[C@H](C#N)NC(=O)Cc1c[nH]c2ccccc12 65577101 GDUXMEGUTRBHDT-GFCCVEGCSA-N 255.321 2.519 30 40 CFEB C#CCOc1cccc([C@H](C)NCc2cnn(C)c2C)c1 97229837 RNWVSSVVWBRADV-ZDUSSCGKSA-N 283.375 2.591 30 40 CFEB COc1cccc(CNc2cccc(C#N)c2)c1O 19922126 JXBGXEVVEJUBIM-UHFFFAOYSA-N 254.289 2.885 30 40 CFEB CCCC(=O)Nc1ccc(O)c(/C(C)=N/OC)c1 17696780 LGVQPFJXQFPZGO-OQLLNIDSSA-N 250.298 2.501 30 40 CFEB Cc1n[nH]c(C)c1/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 408977500 VUQXRRJIJZRBJH-OVCLIPMQSA-N 287.323 2.751 30 40 CFEB Cc1nn(C)c(C)c1C(=O)OC[C@@H](C#N)Cc1ccccc1 79219801 ULPHXUUNRNWQHM-OAHLLOKOSA-N 297.358 2.576 30 40 CFEB CN(C)c1ncccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 97379703 UKSMWQPUCMBWAQ-UHFFFAOYSA-N 297.318 2.540 30 40 CFEB COc1ccccc1-n1nc(C#N)c(N2CCCCCC2)n1 256045635 AEWDHCHSUAHOOF-UHFFFAOYSA-N 297.362 2.528 30 40 CFEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)COc2ccccc21 96767417 USOVCFQFKSDYBC-XFFZJAGNSA-N 297.266 2.959 30 40 CFEB CC(C)c1ccc(C[C@@H](C)/C=N/NC(N)=S)cc1 16970278 WYDNEFWZWQTTCX-LKBVRNOZSA-N 263.410 2.808 30 40 CFEB C=C(C)CNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 156649688 IXNISVOGURLBIT-GFCCVEGCSA-N 292.379 2.949 30 40 CFEB COC(=O)c1ccc(COc2ccccc2C#N)o1 3514018 KIEJHGRQUSXVDL-UHFFFAOYSA-N 257.245 2.517 30 40 CFEB CC[C@@](C)(C#N)NC(=O)Cc1ccc(Br)cc1 40357847 WCZDBZPUFZBRLS-ZDUSSCGKSA-N 295.180 2.800 30 40 CFEB N#CCc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 308635 MFDGKKRHTSLPSS-MRXNPFEDSA-N 294.310 2.531 30 40 CFEB CC(=O)C(CCC#N)(CCC#N)C(=O)Nc1ccccc1 1597051 VHFLFDZQLXIRSB-UHFFFAOYSA-N 283.331 2.808 30 40 CFEB N#Cc1ccc(Sc2nnnn2C2CCCCC2)nc1 42848120 VVUSLEXYBYINQA-UHFFFAOYSA-N 286.364 2.596 30 40 CFEB N#Cc1cccc(NC(=O)[C@@H]2CC2(Cl)Cl)c1 7265488 NLKKPDYKHMRGRE-VIFPVBQESA-N 255.104 2.691 30 40 CFEB CC(C)[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 48234322 FLBRGJBUQRMVEZ-OAHLLOKOSA-N 293.798 2.657 30 40 CFEB COC(=O)c1ccc(NC(=O)O/N=C(/C)Cl)cc1 100721657 OTIKDJPWFQQXPV-AUWJEWJLSA-N 270.672 2.594 30 40 CFEB Cc1ccc(F)cc1NCC(=O)N[C@](C)(C#N)C(C)C 15292264 ZQSASSRHPPMKLZ-OAHLLOKOSA-N 277.343 2.601 30 40 CFEB CSC[C@@H](C)C(=O)N[C@@H](C#N)C1CCCCC1 96451389 NWKJJJBYDWSBPP-PWSUYJOCSA-N 254.399 2.574 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C/C(C)=C/c2ccccc2)C1=O 8074970 XOCHBCUXWUJXFH-SJNPAMPXSA-N 285.347 2.796 30 40 CFEB CC[C@@H](C#N)NC(=O)[C@H](C)Oc1ccccc1Cl 69558362 UQYINGQQBHEDMR-UWVGGRQHSA-N 266.728 2.526 30 40 CFEB Cc1cc(N)nc(S[C@H](C#N)C2CCCCC2)n1 71908671 KWMYJQQGQNUBKO-LLVKDONJSA-N 262.382 2.932 30 40 CFEB CC(C)c1nc([C@H]2CCCN2C[C@H](C#N)CCC#N)no1 75581821 HFPHQXGNGYJDEN-QWHCGFSZSA-N 287.367 2.773 30 40 CFEB C=C[C@H]([C@H](NCc1ccccc1)C(=O)O)C(F)(F)F 199555181 QTYCDKIGDYXOEA-MNOVXSKESA-N 273.254 2.594 30 40 CFEB C[C@H](N[C@@H](CO)c1ccco1)c1ccc(C#N)cc1 96493425 QTOKZPKZDHQKIB-FZMZJTMJSA-N 256.305 2.535 30 40 CFEB CCCC[C@@H](CC)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 96409654 OPAZHDFNKKFOIU-SNVBAGLBSA-N 273.340 2.698 30 40 CFEB FC(F)(Br)C(F)(F)CCCOC[C@@H]1CO1 1083808035 WICBDSHURPNXFJ-ZCFIWIBFSA-N 295.070 2.805 30 40 CFEB CN1C(=O)CS/C1=N\c1ccc(Br)cc1 12730087 KAANEANCBKKQLE-BENRWUELSA-N 285.166 2.642 30 40 CFEB Cc1c(/C=N/c2ccncc2)c(=O)n(-c2ccccc2)n1C 16249065 HMHMZKJSZWSMDS-XDHOZWIPSA-N 292.342 2.630 30 40 CFEB CCSc1nnc(NC(=O)c2ccc(C#N)cc2)s1 6232374 QBNFYVOIMBLVEE-UHFFFAOYSA-N 290.373 2.774 30 40 CFEB C=CCn1cnnc1SCC(=O)c1ccc(C)s1 40462966 FDFGJAAARWUUIZ-UHFFFAOYSA-N 279.390 2.809 30 40 CFEB CC(=O)C1=C(C)O[C@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 100789857 KEKFJLSGEDMKDX-STQMWFEESA-N 281.695 2.920 30 40 CFEB N#Cc1c(N)nc2c(c1-c1ccccc1F)CCC2 20478189 BQKJKZYEBFZSCD-UHFFFAOYSA-N 253.280 2.830 30 40 CFEB CN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CCCC2=O 2701526 BLUSGNNWSAYVIE-AWEZNQCLSA-N 274.295 2.529 30 40 CFEB N#Cc1ccc(CNC2CCN(c3ccccn3)CC2)cc1 42790616 AJEXYVRTPNVODW-UHFFFAOYSA-N 292.386 2.712 30 40 CFEB N#CC1(NC(=O)CNc2cccc(F)c2)CCCCC1 10023971 BSWMGJFGVBBMFZ-UHFFFAOYSA-N 275.327 2.580 30 40 CFEB CCc1nc([C@@H]2CCCN2Cc2ccccc2C#N)no1 72279339 MTYODWLPHNUROE-AWEZNQCLSA-N 282.347 2.841 30 40 CFEB C[C@H](COc1ccccc1)Nc1ncccc1C#N 49000030 KKTJUHNYTSZQQB-GFCCVEGCSA-N 253.305 2.833 30 40 CFEB COc1ccc(OC)c(/C=C/C(=O)c2cnn(C)c2C)c1 6399517 JMGKYRIAYACZGD-FNORWQNLSA-N 286.331 2.642 30 40 CFEB CCCc1nc(NCCN(C)C)c(C#N)c2c1CCCC2 6719929 XZKMTJNDHWVHLZ-UHFFFAOYSA-N 286.423 2.758 30 40 CFEB O=C1N/C(=N\O)S/C1=C/c1ccc(Cl)cc1Cl 18207100 BBEUQHFNLLHWNO-FPYGCLRLSA-N 289.143 2.943 30 40 CFEB C=CCNC(=O)Nc1ccc(CCSC)cc1 69684883 VAAKQMBJWQWSQG-UHFFFAOYSA-N 250.367 2.900 30 40 CFEB C#CCOc1ccc(/C=C/[N+](=O)[O-])cc1Br 33752540 BSMKVYYWSCOVEB-AATRIKPKSA-N 282.093 2.709 30 40 CFEB C=CCCC(=O)NC[C@@H]1CCCN1c1ccccc1 211114379 SVFSSUQBTCFXIT-HNNXBMFYSA-N 258.365 2.738 30 40 CFEB Cc1nc([C@H]2CCCCCN2c2ccc(C#N)cn2)no1 95999768 STEWRWRDVITUAD-CYBMUJFWSA-N 283.335 2.766 30 40 CFEB C[C@H](C#N)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 97085886 LHODGJJDTNAYBO-MNOVXSKESA-N 279.409 2.726 30 40 CFEB COc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 11496120 GGPOTIKUSNNQOE-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB C=C1C[C@]2(CCC[C@@]3(CC(=C)C(=O)O3)C2(C)C)OC1=O 17061087 MNOOTCTZYTWUSS-IYBDPMFKSA-N 276.332 2.680 30 40 CFEB C=C(C)CNC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 156649801 IXNISVOGURLBIT-LBPRGKRZSA-N 292.379 2.949 30 40 CFEB N#Cc1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 6315006 VDSAGQTXYJZFPI-UHFFFAOYSA-N 290.388 2.727 30 40 CFEB OC1=C/C(=N\c2ncn[nH]2)C[C@H](c2cccs2)C1 104153260 ANOPUASSURYTIX-LMJTTZPHSA-N 260.322 2.958 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccccc1)Nc1nonc1N2 12389581 GOFZSBUWYHJYKR-CYBMUJFWSA-N 282.303 2.655 30 40 CFEB C[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCC[C@@H]12 1075716 ZHNJPBGBQFADIA-QWRGUYRKSA-N 261.365 2.703 30 40 CFEB O=C1/C(=N/O)[C@@H](c2ccccc2)Oc2ccccc21 8615994 UPAMVIOAWHMBTC-NWCRWOLESA-N 253.257 2.833 30 40 CFEB COc1ccc(NC(=O)c2ccc(N=[N+]=[N-])nc2)cn1 108512554 VPXUIEZXBIMUPN-UHFFFAOYSA-N 270.252 2.679 30 40 CFEB CC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 12756390 PIVJYIFBFCCTMA-UHFFFAOYSA-N 279.299 2.769 30 40 CFEB CC1(C)CN(c2c(C#N)cnc3ccccc23)CCO1 36913364 SQSBTNQHPRYTAD-UHFFFAOYSA-N 267.332 2.722 30 40 CFEB CC[C@@H](C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1 2805298 SVBIKNBHBXBGNV-ZDUSSCGKSA-N 288.738 2.998 30 40 CFEB N#Cc1cc(NCc2ccccc2)c([N+](=O)[O-])cc1C#N 5092493 VLUKFLHXWNLMRT-UHFFFAOYSA-N 278.271 2.950 30 40 CFEB C=CCN1C(=O)C2(CCCCC2)NC12CCSCC2 95403393 JDUBRUWQMBOLII-UHFFFAOYSA-N 280.437 2.530 30 40 CFEB Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 4531870 LQCHWOVOTNHORM-OQLLNIDSSA-N 252.277 2.715 30 40 CFEB N#Cc1c(F)cccc1N1CCC[C@@H]1Cn1cccn1 69626895 ADUKOBOCFFJEPP-GFCCVEGCSA-N 270.311 2.563 30 40 CFEB Cc1cccc2c1/C(=N/O)C(=O)N2CCOc1ccccc1 46085115 LOJKRNXVNKNQGZ-VLGSPTGOSA-N 296.326 2.599 30 40 CFEB COC(=O)[C@@]1(C)O[C@]1(C)c1cccc(Br)c1 85657934 IZAGMFLSPAXDMZ-VXGBXAGGSA-N 285.137 2.626 30 40 CFEB C=CCOC[C@H]1c2c(ncn2C(C)C)CCN1C(=O)CC 96260301 KUQZXYNTOPPRFM-AWEZNQCLSA-N 291.395 2.502 30 40 CFEB CSc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 116516 FALVVWKMSBGGQL-VCHYOVAHSA-N 297.383 2.941 30 40 CFEB O=C(O/N=C/c1ccc2c(c1)OCO2)c1cccs1 163071 PQOWJEDPSYKJLQ-VGOFMYFVSA-N 275.285 2.668 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 13556350 YLUPTEYKJCDJHX-VGOAHNGKSA-N 277.324 2.690 30 40 CFEB CCC(/C=N\NC(=N)C(=N)N/N=C\C(CC)CC)CC 17310929 YIVUHPCHLCUSNH-XFQWXJFMSA-N 280.420 2.964 30 40 CFEB C=CCN1CCO[C@@H]2CCN(CC3CCCCC3)CC[C@H]21 2055745799 CBASWSPIOUPZEU-QZTJIDSGSA-N 292.467 2.918 30 40 CFEB CCCCCCCSc1nc(N)nc2nc[nH]c12 1669577 NNSRACXEGWULFL-UHFFFAOYSA-N 265.386 2.998 30 40 CFEB Cn1c(/N=C/c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 20158684 IUJLVZSHNZQBRH-CXUHLZMHSA-N 296.286 2.938 30 40 CFEB C=CCO/N=C1\C[C@@H]2[C@@H](C[C@]1(C)N(C)C)C2(C)C 100257930 KDOWIRPIALEFSJ-IXHAZIBZSA-N 250.386 2.931 30 40 CFEB CCc1ccccc1NC(=O)[C@H](C#N)Cc1cccnc1 419689 YICFJGNYIQOYJB-HNNXBMFYSA-N 279.343 2.965 30 40 CFEB CN(C)c1ccc(/C=C2C(=N/O)/C3CCN/2CC3)cc1 102767755 PMRUAVIUTNEDEG-DBRFYRBNSA-N 271.364 2.649 30 40 CFEB CCOc1ccc(C(=O)/C=C/c2csnn2)cc1 58907830 NQTYNLYDTQAOAJ-VMPITWQZSA-N 260.318 2.833 30 40 CFEB Cc1ccc(C)c(NCC(=O)N[C@@](C)(C#N)C(C)C)c1 36874883 ROYRXDASRDMHMN-INIZCTEOSA-N 273.380 2.770 30 40 CFEB CC(C)(C#N)NC(=O)Cc1ccc(C(F)(F)F)cc1 48347667 NMJNXVBVNLKUFP-UHFFFAOYSA-N 270.254 2.666 30 40 CFEB C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccn1 48309622 CLFMHUPBNVJNJR-NSHDSACASA-N 266.304 2.836 30 40 CFEB C[C@H](C#N)OC(=O)Cn1ccc2ccc(Cl)cc21 64036513 IPVIZNLATRIGQU-SECBINFHSA-N 262.696 2.750 30 40 CFEB C[C@H]1S/C(=N\c2ccc(Br)cc2)NC1=O 6911607 OMOVOALTOWJNSA-ZCFIWIBFSA-N 285.166 2.688 30 40 CFEB CCCCNc1nc(C)c([N+](=O)[O-])c(COC)c1C#N 19933077 BFJVUUPKPIKLRW-UHFFFAOYSA-N 278.312 2.528 30 40 CFEB C[C@@H](NCC#Cc1ccc(F)cc1)C1CCOCC1 95985369 OKZMYTBDJPWFPD-CYBMUJFWSA-N 261.340 2.582 30 40 CFEB O=[N+]([O-])c1cc(/C=N\c2ccc3c(c2)OCO3)ccc1O 408962616 IJEWZDJYCKHQME-CHHVJCJISA-N 286.243 2.780 30 40 CFEB O=C1C=C(NCCc2ccccc2)C(=O)c2ccccc21 1734958 UTTUTHLCEQWYEB-UHFFFAOYSA-N 277.323 2.782 30 40 CFEB biogenic C=CCC1(N(Cc2ccccc2)[C@H](CO)C(C)C)COC1 306145268 AEFOIIAKFHGCGH-QGZVFWFLSA-N 289.419 2.851 30 40 CFEB CN(C)c1cc(C#Cc2ccccc2)cc2nonc12 66088732 NHIXLNMNMHIOES-UHFFFAOYSA-N 263.300 2.689 30 40 CFEB N#CC1(C(=O)c2ccc(Br)cc2)CCOCC1 85395699 LZHRNHQMXQUHOX-UHFFFAOYSA-N 294.148 2.952 30 40 CFEB N#Cc1ccc(NCCCc2nc3ccccc3[nH]2)cn1 80970343 QCQNGGDYILBMKJ-UHFFFAOYSA-N 277.331 2.874 30 40 CFEB COCCOc1cccc(C(=O)Nc2ccccc2C#N)c1 69844450 CJBBNRCJBBTBGX-UHFFFAOYSA-N 296.326 2.836 30 40 CFEB CC(C)Oc1ccc(NC(=O)C(F)(F)F)c(C#N)c1 225782691 AAVLNFHHZJATSL-UHFFFAOYSA-N 272.226 2.846 30 40 CFEB Cc1ccccc1Cn1c(C#N)cc(N)c1N1CCCC1 225864728 BPAWBIKOGXPUGV-UHFFFAOYSA-N 280.375 2.899 30 40 CFEB N#C[C@@H](/C=C1/NN=C2CCCCCN21)C(=O)c1ccccc1 94992705 ZUKUIPDQLSWKND-VQCBNXJZSA-N 294.358 2.643 30 40 CFEB CCCCn1c(C#N)cc(N)c1N1CCC[C@H](C)C1 260825896 NQQVFPULFFTFBN-LBPRGKRZSA-N 260.385 2.978 30 40 CFEB CNC(=S)N/N=C/C(Br)=C/c1ccccc1 6674452 HFOZUYLTKSHTPO-GBJAUHPPSA-N 298.209 2.502 30 40 CFEB C=CCNC(=O)C[C@@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1CC 5415150 YAVVWAQBRBIIGI-KBPBESRZSA-N 294.439 2.600 30 40 CFEB biogenic,in-vitro C=CCNC(=O)c1ccc(NC(=O)c2ccco2)s1 23681977 KYJAARFVSLBPJV-UHFFFAOYSA-N 276.317 2.509 30 40 CFEB C=C(C)Cn1cnc2ccc(Br)cc2c1=O 14092897 ILGCOAPWOGLYJP-UHFFFAOYSA-N 279.137 2.735 30 40 CFEB C=CCN1CCO[C@H]2CCN(CC(CC)CC)CC[C@@H]21 2055730079 XJZFKBQXMYNSRI-IRXDYDNUSA-N 280.456 2.774 30 40 CFEB C=CCNC(=O)CS[C@@H]1CCc2ccccc2N=C1O 12321300 QDMJRXLQXBQTHM-CYBMUJFWSA-N 290.388 2.625 30 40 CFEB C=CCNC(=O)c1c(NC(C)=O)sc2c1CCCC2 3159136 VBLXWWMIQASXMN-UHFFFAOYSA-N 278.377 2.501 30 40 CFEB C#CCNC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 78987285 JGKMFNDFBWPGLG-CYBMUJFWSA-N 279.343 2.742 30 40 CFEB N#Cc1ccc(OCCSC2=NCCS2)cc1 36396061 VCYJVFUGXKFOOK-UHFFFAOYSA-N 264.375 2.773 30 40 CFEB O=C1C=C(N2[C@H]3[C@@H]4CC[C@H](C4)[C@H]32)C(=O)C=C1c1ccccc1 104185139 BEHXZHRCOQPQPR-BHGFLMQASA-N 291.350 2.588 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C#N)c2)c1C 2621626 DQHSDTUKDMHNNV-UHFFFAOYSA-N 281.315 2.958 30 40 CFEB Cc1nc2sc3c(c2c(=O)n1CCC#N)CC[C@H](C)C3 12814788 DKBHWODIAMNLLB-VIFPVBQESA-N 287.388 2.805 30 40 CFEB COc1cccc(C(=O)/C=C/c2cnn(C)c2C)c1 6527491 VRTRLOSPECVJFD-BQYQJAHWSA-N 256.305 2.633 30 40 CFEB C=CCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 66560534 ZVUVQGIOOMMZFV-ZDUSSCGKSA-N 299.823 2.515 30 40 CFEB Cc1csc2nc(CNc3cccc(C#N)c3)cc(=O)n12 15294450 DMUVLHNZCXGTGB-UHFFFAOYSA-N 296.355 2.548 30 40 CFEB C[C@H](NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 71853540 AGVFMJHPMNQRLZ-NSHDSACASA-N 290.326 2.926 30 40 CFEB CC[C@@H](c1ccccc1)S(=O)(=O)CCCC#N 97164113 CDVKXPSVFDWKTN-ZDUSSCGKSA-N 251.351 2.856 30 40 CFEB CCN(C[C@@H](C)C#N)c1cnc2cc(F)c(F)cc2n1 95965185 FIQYZHDCGJQGKS-VIFPVBQESA-N 276.290 2.894 30 40 CFEB COC(=O)[C@](C)(C#N)Cc1c(F)cccc1Cl 94993273 QIOKAFSCTSBGIE-LBPRGKRZSA-N 255.676 2.724 30 40 CFEB CCCNc1nn(-c2ccccc2C(F)(F)F)nc1C#N 256046902 IUILJMCZENIXEM-UHFFFAOYSA-N 295.268 2.980 30 40 CFEB Cc1nc(C(C)(C)C)sc1C(=O)O[C@H](C)C#N 64181140 VOXSDEFFSFHKJJ-SSDOTTSWSA-N 252.339 2.818 30 40 CFEB CN(C[C@H]1CCCOC1)C(=O)Nc1cc(C#N)ccc1F 585140711 JRXCXWLDDWSUMM-GFCCVEGCSA-N 291.326 2.588 30 40 CFEB CCOc1cc(C#N)ccc1OCc1ncnn1C(C)C 88593277 RTXIYKJPHJMICY-UHFFFAOYSA-N 286.335 2.708 30 40 CFEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1cccs1 32944 PFEJGPHKWWXVKX-MHWRWJLKSA-N 296.355 2.557 30 40 CFEB CCOC(=O)CCCC(=O)c1cccc(F)c1C#N 575361642 AXYJWKLOOBACLQ-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB N#Cc1ccc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)nc1 558705206 QDJIMDMGPRPQRR-IYBDPMFKSA-N 290.370 2.526 30 40 CFEB O=C1C=C(Nc2ccccc2O)c2ccccc2C1=O 100012390 BNOCMOBNZBUGRY-UHFFFAOYSA-N 265.268 2.611 30 40 CFEB CC(C)(O)C#Cc1ncc(C(F)(F)F)cc1Cl 1386170 QXNOBAYVAIGEDZ-UHFFFAOYSA-N 263.646 2.876 30 40 CFEB O=C1C=CC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 104290079 JXEJUTYOEIZHKE-SVUJIJFMSA-N 264.324 2.635 30 40 CFEB C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1cccs1 4187909 DVBIPPBYZQJRNM-LFIBNONCSA-N 271.345 2.671 30 40 CFEB N#C[C@H](NC(=O)CSC(F)(F)F)c1ccccc1F 65490768 FPRPGBVTJPIUPW-VIFPVBQESA-N 292.257 2.760 30 40 CFEB Cc1nnsc1/C(O)=N/c1nnc(CC(C)C)s1 27988709 KEJGDZHOXYLUJM-UHFFFAOYSA-N 283.382 2.533 30 40 CFEB C=CC[C@H](CC)NC(=O)NC1CCN(CCC)CC1 225581449 MAHQUDLRPNKWDR-ZDUSSCGKSA-N 267.417 2.515 30 40 CFEB CC(=O)Oc1ccccc1C(=O)c1ccc(C#N)cc1 43209766 LPPXBZLLAJWTOV-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB CCCCCCCCCCS(=O)(=O)c1nc[nH]n1 97965957 AIZUUTZRLJRTDQ-UHFFFAOYSA-N 273.402 2.719 30 40 CFEB Cc1ccccc1NC(=O)CNc1cccc(C#N)c1 7974143 JPYZMKGFIUXHIG-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB C[C@H](NC(=O)COc1ccccc1C#N)c1cccs1 5579033 BGUJRVNOTYTGQP-NSHDSACASA-N 286.356 2.876 30 40 CFEB Cc1ccc2c(Cl)c(C)c(-n3ncc(C#N)c3N)nc2n1 1016797 OSFJNLVHEJBRNB-UHFFFAOYSA-N 298.737 2.540 30 40 CFEB CCCn1nnnc1/N=C/c1c(F)cccc1Cl 6757577 QNKRPWXNVAIMJI-VGOFMYFVSA-N 267.695 2.626 30 40 CFEB CCN1CCC(N(C(=O)c2cccc(C#N)c2)C2CC2)CC1 57370870 TUYJCRBQAOZJKP-UHFFFAOYSA-N 297.402 2.647 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)Nc1cccnc1OC 58112205 JFFOQIXGSGVXSB-UHFFFAOYSA-N 289.257 2.672 30 40 CFEB N#Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1 29009861 TZZWZOJOEJRPGQ-UHFFFAOYSA-N 266.300 2.956 30 40 CFEB N#CCOc1ccc(-c2noc(C(F)F)n2)cc1 2740973 JBFLNFWIZQLBOR-UHFFFAOYSA-N 251.192 2.577 30 40 CFEB C(=N/C[C@H]1COc2ccccc2O1)\c1ccc2c(c1)OCO2 16524951 XVIYZLYBGDVINE-VFJJTOLMSA-N 297.310 2.674 30 40 CFEB N#C[C@H](c1c(Cl)cccc1Cl)N1CCOCC1 19935048 LXDHIYRLSSHAER-LLVKDONJSA-N 271.147 2.890 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCc2cccc(C#N)c2)c1 69486209 HTDSIMYRGDOSKT-ZIAGYGMSSA-N 268.364 2.803 30 40 CFEB COc1ccc(-c2noc(C(C)(C)C#N)n2)c(OC)c1 97011495 BUAIYGQJKQHXHG-UHFFFAOYSA-N 273.292 2.555 30 40 CFEB CCOc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 307038998 GQZWHHMDIKMZSH-UHFFFAOYSA-N 284.111 2.663 30 40 CFEB N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)cc1 46091880 VANRRLDSCAWRBB-OAHLLOKOSA-N 256.349 2.559 30 40 CFEB N#Cc1c(C(F)(F)F)nn(Cc2cccc(F)c2)c1N 225841794 JZTHMWCHPKABMP-UHFFFAOYSA-N 284.216 2.543 30 40 CFEB Cc1nn(C)cc1CNc1cc(C#N)ccc1OC(C)C 97235437 LWXSCTDJZVQXBK-UHFFFAOYSA-N 284.363 3.000 30 40 CFEB C[C@@H]1C[C@@]2(C3CC3)O[C@@H]2CN1C(=O)OC(C)(C)C 252495680 OVOINZNDAVIGKA-UDZFHETQSA-N 253.342 2.563 30 40 CFEB Cc1c(Nc2nccnc2C#N)cnn1C1CCCC1 277974044 LPHAHWCHTWBNSV-UHFFFAOYSA-N 268.324 2.712 30 40 CFEB CN(C)c1ccc(C#CCO[C@H]2CCCCO2)cc1 95633020 BNXOIRVDULHMAK-INIZCTEOSA-N 259.349 2.647 30 40 CFEB C[C@H]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1O 96501556 DEKIOFMAZRWSGE-ZANVPECISA-N 295.180 2.528 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccncc1 5105878 LATUIHGCVGVGRE-XNTDXEJSSA-N 256.265 2.826 30 40 CFEB CCOC(C)(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5700623 MYPWWKZBBOSCTF-MDWZMJQESA-N 296.283 2.716 30 40 CFEB COc1ccc(OC)c(NC(=O)C2(C#N)CCCC2)c1 20962353 NVDXLOHCUCUAGO-UHFFFAOYSA-N 274.320 2.726 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC=CCC1 25103198 WHINBIMOCSESPX-HNNXBMFYSA-N 254.333 2.873 30 40 CFEB COc1cc(C(CC#N)CC#N)cc(OC)c1OC 100033 VHSMVRILHZRMED-UHFFFAOYSA-N 260.293 2.623 30 40 CFEB N#C/C(=N\Nc1ccc(C(=O)O)cc1)C(=O)c1ccccc1 3230976 NNTNTLZMELSERC-XMHGGMMESA-N 293.282 2.559 30 40 CFEB C=CC[C@H]1[C@@H](O)CCCN1C(=O)OCc1ccccc1 22050194 UFIGRANCXYGHPY-GJZGRUSLSA-N 275.348 2.725 30 40 CFEB in-vitro Cc1cc(COC(=O)CCc2ccc(C#N)cc2)no1 12958519 FWRWEZNUPSELSM-UHFFFAOYSA-N 270.288 2.531 30 40 CFEB CC(C)Cc1nc(C#N)c(N/N=C/c2ccc(O)cc2)o1 6358212 FQIUTSXTUQLCSL-RQZCQDPDSA-N 284.319 2.896 30 40 CFEB Cc1nc(S)c(C#N)cc1C(=O)Nc1ccccc1 6403751 JBCJJMFKFZTZRK-UHFFFAOYSA-N 269.329 2.803 30 40 CFEB C#CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 9310667 HIDRSXTUVNDPQT-FMIVXFBMSA-N 289.381 2.530 30 40 CFEB Cc1csc(SCC(=O)N[C@](C)(C#N)C(C)C)n1 7195759 SDGUQDCGMGPTGI-GFCCVEGCSA-N 283.422 2.598 30 40 CFEB N#Cc1cccnc1Nc1cnn(-c2ccccc2)c1 301133104 XXMOPXOAWCIXSN-UHFFFAOYSA-N 261.288 2.883 30 40 CFEB C#CCOC(=O)c1cc(NC)ccc1N1CCCC[C@H]1C 226278881 WRNYRBATVCYZFX-CYBMUJFWSA-N 286.375 2.897 30 40 CFEB CC1=CC[C@](C(=O)C(C)C)([C@@H](C)CC(=O)O)CC1=O 1772591881 SXUCLMYZAREXCX-XHDPSFHLSA-N 266.337 2.618 30 40 CFEB CN(C)C1=N/C(=N/c2ccccc2[N+](=O)[O-])c2ccccc21 13142879 SBVGJJKQLBMRGL-BMRADRMJSA-N 294.314 2.995 30 40 CFEB COc1ccc(CCNCc2cccc(C#N)c2)cc1OC 20542742 SEKSFZWBFWVJRY-UHFFFAOYSA-N 296.370 2.908 30 40 CFEB C#CCOc1cccc([C@H]2SCC(O)=Nc3n[nH]cc32)c1 20722555 VHVMBLBQJGZBQG-CQSZACIVSA-N 299.355 2.846 30 40 CFEB N#Cc1ccc(/N=c2\ssnc2Cl)cc1 12428975 UGVDRCWEAQHZQX-XFXZXTDPSA-N 253.739 2.962 30 40 CFEB O=C1C(N2CCOCC2)=Cc2cccc3cccc1c23 1725140 UECXOMCLXJJKSR-UHFFFAOYSA-N 265.312 2.709 30 40 CFEB CCCc1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 26458856 SDYPBQFTYHRPNL-UHFFFAOYSA-N 296.374 2.825 30 40 CFEB COc1ccccc1CN(CCCC#N)C[C@@H]1CCCO1 45944880 HEVNCRGJHHNCRM-INIZCTEOSA-N 288.391 2.980 30 40 CFEB Oc1cccc(/C=N/Nc2ccc(F)cc2F)c1O 5162414 HKUAOTGTHQFFLV-FRKPEAEDSA-N 264.231 2.822 30 40 CFEB O=C(O)c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 6338454 DGDPABAKVCEIJE-XCVCLJGOSA-N 268.268 2.987 30 40 CFEB CCCCN(CCO)C(=O)Nc1ccc(C#N)c(Cl)c1 65612312 XZBNXDGQKJMDFN-UHFFFAOYSA-N 295.770 2.838 30 40 CFEB O=C(/C=N/c1ccccc1[N+](=O)[O-])Nc1ccco1 5824746 KHEZMLICAFHPQK-MDWZMJQESA-N 259.221 2.529 30 40 CFEB CC[C@@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1 71908921 COZRSVJEQPQYAY-AWEZNQCLSA-N 286.375 2.759 30 40 CFEB CC(=O)c1cccc(/N=C/c2ccc(OCC(N)=O)cc2)c1 408964377 REAANWAEONINOR-VXLYETTFSA-N 296.326 2.504 30 40 CFEB CC(C)COc1ccc(Br)c(C#N)n1 225736165 CMTKMCKCBYQKFQ-UHFFFAOYSA-N 255.115 2.751 30 40 CFEB CCOc1ccc(NC(=O)C(C)(C)OCC)cc1C#N 225814018 CKAAWUORXXCDKF-UHFFFAOYSA-N 276.336 2.711 30 40 CFEB C#CCOc1c(C=O)cc(Br)cc1OCC 225274963 SXRLXGHCVKAOSJ-UHFFFAOYSA-N 283.121 2.672 30 40 CFEB COc1ccc(Nc2ccc(C#N)cc2N)c(OC)c1 35674470 SXOUIJZQZCHRKX-UHFFFAOYSA-N 269.304 2.901 30 40 CFEB CN(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 5659397 GRXXLCKNOSCQIY-UHFFFAOYSA-N 267.284 2.808 30 40 CFEB CN(C[C@@H]1CCOC1)c1ccc(Br)cc1C#N 96008495 QHWKLGQGDWTLOH-JTQLQIEISA-N 295.180 2.793 30 40 CFEB CC(C)(C)n1nc(Cc2ccccc2)c(C#N)c1N 35636298 BUSKUEBIZUJLMJ-UHFFFAOYSA-N 254.337 2.683 30 40 CFEB in-vitro Cc1ccc(NC(=O)COc2ccccc2C#N)c(O)c1 9052970 CWJYAQJRACIYBF-UHFFFAOYSA-N 282.299 2.590 30 40 CFEB C=C(Br)Cc1ccc2c(c1)OCCO2 43209583 MPGWYTZKSMBBMV-UHFFFAOYSA-N 255.111 2.909 30 40 CFEB N#Cc1ccc(OCCOc2cccc(C#N)c2)cc1 34651469 UCMIODJTQIDUGN-UHFFFAOYSA-N 264.284 2.888 30 40 CFEB CN(c1ccccc1)c1ccc(/C=N/n2cnnc2)cc1 57963382 JVVXSMVIJQWHEH-YBFXNURJSA-N 277.331 2.928 30 40 CFEB C=CCSc1nncn1-c1cccc(NC(C)=O)c1 44924872 WCGRGAHBRNMKMT-UHFFFAOYSA-N 274.349 2.504 30 40 CFEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2ccccc21 2700835 MTZDSJHLRQDPDU-VLGSPTGOSA-N 296.326 2.599 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 69490791 MWIIHLSIPYSFNE-NEPJUHHUSA-N 292.404 2.984 30 40 CFEB Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C#N)[C@H](C)CO1 76041208 DELMQCQWKBHWHR-HIFRSBDPSA-N 286.375 2.833 30 40 CFEB C[C@H](CC#N)N(C)C(=O)c1sccc1Br 69892739 CBKVIMVOQBVJIG-SSDOTTSWSA-N 287.182 2.885 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\c2cccc(O)c2)c1O 83331463 PWOWNBMFWIKADH-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)Oc2cc(O)ccc21 16755120 VXXYXZZVKUPRSD-MKMNVTDBSA-N 299.238 2.622 30 40 CFEB CCOC(=O)CCCC(=O)c1ccc(F)c(C#N)c1 575361960 VOFFDNZLVNBLJZ-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB COC(=O)c1cccc(/N=C\c2ccccc2O)c1 102821381 AWCFPCLGTDOVEU-YBEGLDIGSA-N 255.273 2.929 30 40 CFEB C[N+]1(C)CCC2=CC(=O)C[C@@H](c3ccccc3)[C@@H]2C1 104228658 UYXUMLHNMXEDTP-DLBZAZTESA-N 256.369 2.766 30 40 CFEB COc1ccccc1CN/N=C/c1ccc(N(C)C)cc1 20761973 BJJOQRSWAGXOCA-LDADJPATSA-N 283.375 2.885 30 40 CFEB C=CCN(CC(F)(F)F)C(=O)c1ccc(C#N)cc1 58405091 WRSHDROZWAZHGH-UHFFFAOYSA-N 268.238 2.749 30 40 CFEB Cc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2)s1 48519343 ZSBYDBVLPPHWGT-UHFFFAOYSA-N 295.385 2.891 30 40 CFEB N#CCSc1nnc(Cc2cccs2)n1C1CC1 5359917 HJWDENNOWBHLBD-UHFFFAOYSA-N 276.390 2.881 30 40 CFEB COc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 14181136 JYFFOPJBUDWGNI-RUDMXATFSA-N 294.310 2.761 30 40 CFEB C[C@H](C(=O)N[C@H](C#N)[C@@H]1CCOC1)c1ccc(Cl)s1 95408458 RICBHUAOQKXYBF-IVZWLZJFSA-N 298.795 2.550 30 40 CFEB C#CC[C@H](OC(=O)c1ccc(C)o1)c1ccccn1 79101978 GCXBIANPJYXDHM-ZDUSSCGKSA-N 255.273 2.904 30 40 CFEB CN(CCSc1cnc(C#N)cn1)Cc1ccccc1 193745573 XEJPQXBTTUZXGN-UHFFFAOYSA-N 284.388 2.572 30 40 CFEB C=C[C@H](C)CCOC(=O)c1snnc1-c1coc(C)n1 223860076 SVMOSZSAORRBFR-QMMMGPOBSA-N 293.348 2.871 30 40 CFEB C[C@H]1CN(c2ncccc2C#N)C[C@H](c2ccsc2)O1 95413867 DGXUGHATHPRBRV-SMDDNHRTSA-N 285.372 2.981 30 40 CFEB CCCN(CCC)c1nn(-c2ccc(OC)cc2)nc1C#N 256045962 BZFGNEFUHGZVHW-UHFFFAOYSA-N 299.378 2.774 30 40 CFEB C/C(=N\Nc1ccccc1S(=O)(=O)O)c1ccccc1 255186935 ACWVLJLIGUVPQV-RVDMUPIBSA-N 290.344 2.769 30 40 CFEB CC[C@H](CC(=O)NC1(C#N)CCOCC1)c1ccccc1 71908922 COZRSVJEQPQYAY-CQSZACIVSA-N 286.375 2.759 30 40 CFEB COc1ccc(NC(=O)C(C)(C)C#N)cc1Br 71900008 QAYCFEINUTVGOG-UHFFFAOYSA-N 297.152 2.946 30 40 CFEB COCCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1 40458919 XRWWHNSBLGWGBX-UHFFFAOYSA-N 294.354 2.847 30 40 CFEB C[C@H]1CCc2nc(N)c(C#N)c(-c3ccco3)c2C1 19095841 ZHBSLCLAKHRZMQ-VIFPVBQESA-N 253.305 2.920 30 40 CFEB N#Cc1ccsc1NC(=O)COc1ccc(F)cc1 8291196 NKBLAAMEXSZTEZ-UHFFFAOYSA-N 276.292 2.776 30 40 CFEB N#Cc1cccnc1N[C@@H]1CCN(Cc2ccccc2)C1 40160631 RJMVNNKRPIZOPB-MRXNPFEDSA-N 278.359 2.640 30 40 CFEB COc1ccccc1C(=O)[C@H](C#N)c1ccccn1 1275599 JROHUFAPKMBTSY-GFCCVEGCSA-N 252.273 2.580 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCc2ccccc21 45003389 JLNAKOUQJGPVQC-AEFFLSMTSA-N 299.418 2.660 30 40 CFEB C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccccc1 3445313 RDTJSANCRZSPCK-ZDUSSCGKSA-N 280.327 2.989 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 3418060 KIXFJJJXPXRMBT-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CCOC(=O)C/C(C)=N\Nc1cc(Cl)ccc1[N+](=O)[O-] 5598088 PDILEIPLBYHQTG-ZSOIEALJSA-N 299.714 2.989 30 40 CFEB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(C#N)c1 6821783 OOHNFMOZNBXACV-ZDUSSCGKSA-N 291.354 2.948 30 40 CFEB CCCCN(CC)CC(=O)Nc1ccccc1C#N 19846836 HMUBDKDRJQRIDY-UHFFFAOYSA-N 259.353 2.619 30 40 CFEB C[C@@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 69454222 HCQLNJPXLVXGGL-DTWKUNHWSA-N 286.253 2.501 30 40 CFEB C=CCNC(=O)Nc1ccc(OC)cc1Br 75127021 GPBJIQVQCFQOLO-UHFFFAOYSA-N 285.141 2.765 30 40 CFEB Cc1ccc2nc([C@H](C#N)c3ccccc3)c(=O)[nH]c2c1 98071642 VBHNCMAFPOPJJC-CYBMUJFWSA-N 275.311 2.887 30 40 CFEB N#CCCCCS(=O)(=O)N[C@H]1C[C@@H]1C1CCCCC1 96428340 WEIAVECMBZKXEP-KGLIPLIRSA-N 284.425 2.568 30 40 CFEB CCN(CC)c1nn(-c2cccc(Cl)c2)nc1C#N 256046765 HXOLYIIXTOLELB-UHFFFAOYSA-N 275.743 2.639 30 40 CFEB C=CCCS(=O)(=O)Nc1cc(C)ccc1Cl 95428142 OTFSQPOECSJXOL-UHFFFAOYSA-N 259.758 2.966 30 40 CFEB C=CCCN1CC(Oc2ccnc(C(F)(F)F)c2)C1 1889089378 QWDHTMJOECYDOU-UHFFFAOYSA-N 272.270 2.740 30 40 CFEB COc1ccc(OC)c(/C(=N/O)c2cccs2)c1 5916181 GOGABPPMBGDZDD-YPKPFQOOSA-N 263.318 2.992 30 40 CFEB COc1cccc(CNCc2ccc(C#N)cc2)c1 812215 VBKJNMIXECGFHP-UHFFFAOYSA-N 252.317 2.857 30 40 CFEB C=C(c1cnc(NC2CCOCC2)nc1)C(F)(F)F 2086805482 NKBMCJWZAVJPEK-UHFFFAOYSA-N 273.258 2.643 30 40 CFEB CC(C)Oc1ccc(C(=O)/C=C(\O)C(=O)O)cc1Cl 106679729 CZJNNAZXXIUDNO-WDZFZDKYSA-N 284.695 2.836 30 40 CFEB O=S(=O)(/N=C(\O)C[C@@H]1C=CCC1)c1cccc(F)c1 78949010 HNVBGMWNUOHYQH-SNVBAGLBSA-N 283.324 2.827 30 40 CFEB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1 3219211 VZALVAGJQKZEFC-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB N#Cc1ccc(COC(=O)COc2ccccc2C#N)cc1 3257288 UKIPSPQDSXBDLD-UHFFFAOYSA-N 292.294 2.552 30 40 CFEB N#Cc1ccccc1CN1CCN(c2ccccc2O)CC1 57312380 URMAAZHAXBUGJF-UHFFFAOYSA-N 293.370 2.586 30 40 CFEB N#CCN1CCC[C@H]1c1ccc2c(c1)OCCCO2 27055211 SSKUFIAZQXLRDI-ZDUSSCGKSA-N 258.321 2.508 30 40 CFEB CCN(CC)c1ccc(/N=N/[C@@H]2C(=O)ON=C2C)cc1 59662146 GHLDZBRSHCLCSJ-ZGTROFRASA-N 274.324 2.918 30 40 CFEB C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(C#N)c1 3328619 SEBHNXOSLORCAJ-CYBMUJFWSA-N 292.338 2.915 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1 45859937 JVDVLXUMSQRJHJ-UHFFFAOYSA-N 288.310 2.996 30 40 CFEB C=CCCC(=O)Nc1ccc(N2CCOCC2)c(C)c1 96009011 FUBBQAIRDWEFPJ-UHFFFAOYSA-N 274.364 2.736 30 40 CFEB CC1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 9313998 KGFBUHZTTREEPN-VOTSOKGWSA-N 254.333 2.830 30 40 CFEB CN/C(S)=N/N=C\c1c(Cl)cccc1Cl 5214010 UGTYFAYAVJIFDU-ACAGNQJTSA-N 262.165 2.833 30 40 CFEB C=CCN(CCc1ccccc1)C(=O)[C@@H](C)n1ccnc1 65911901 NARMGTTUPZQPBQ-OAHLLOKOSA-N 283.375 2.701 30 40 CFEB C=CCn1c([C@H](C)NC(=O)c2ccccc2)n[nH]c1=S 5912062 OODBLQPWXIRSTF-JTQLQIEISA-N 288.376 2.618 30 40 CFEB COCCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 71904534 BXNPNSMOLMVLHY-ZDUSSCGKSA-N 280.755 2.838 30 40 CFEB Cc1nc(-c2cccs2)sc1C(=O)OCC#N 17830383 KICUZRGRSVOODT-UHFFFAOYSA-N 264.331 2.860 30 40 CFEB N#Cc1cc(Br)ccc1NC[C@@H](O)C1CC1 97083853 GLXOFXCGVBLKSM-GFCCVEGCSA-N 281.153 2.504 30 40 CFEB Cn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 408658984 OONWKWPTKNFHMW-MHWRWJLKSA-N 295.302 2.928 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccc(N)cc2)SC1=S 32107555 INMPSDGGCFQRMD-DHZHZOJOSA-N 276.386 2.656 30 40 CFEB Cn1c(CCCNc2ncccc2C#N)nc2ccccc21 80760400 JXWISGWICSGWGR-UHFFFAOYSA-N 291.358 2.885 30 40 CFEB CCCCn1c(C#N)cc(N)c1N1CCC(C)CC1 225866463 PIYZMABZQYYOPI-UHFFFAOYSA-N 260.385 2.978 30 40 CFEB N#Cc1cccc(NC(=O)[C@@H]2CCCN2c2nccs2)c1 40090187 MQOXUOCXFNVTOZ-ZDUSSCGKSA-N 298.371 2.622 30 40 CFEB N#Cc1c(N)nc(SC2CCCC2)nc1C(F)(F)F 225894383 KPDCEAPMGGIWIV-UHFFFAOYSA-N 288.298 2.984 30 40 CFEB COc1ccc(CSC[C@H](O)C(F)(F)F)cc1C#N 191148312 GEJVJZVBAHMHBO-NSHDSACASA-N 291.294 2.723 30 40 CFEB COC(=O)c1cccc(NCc2cc(C#N)n(C)c2C)c1 96499568 IYMKBPNFJGORGH-UHFFFAOYSA-N 283.331 2.604 30 40 CFEB Cn1cc([C@H]2CCCN2Cc2ccccc2C#N)cn1 75127325 ZNENIOXSNYNRHU-MRXNPFEDSA-N 266.348 2.629 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 966597 YYKZHHPAGZSXRI-WQLSENKSSA-N 289.381 2.886 30 40 CFEB NC1=C(c2ccccc2)C(=O)CN1c1cccc(F)c1 3268673 RQBVDJSPNMYCCM-UHFFFAOYSA-N 268.291 2.542 30 40 CFEB CN1CCN(/N=C/c2cccc(Cl)c2Cl)CC1 3225523 FIELHACJFLHHDG-OQLLNIDSSA-N 272.179 2.575 30 40 CFEB Sc1nnc(-c2ccncc2)n1/N=C/c1ccccc1 3228275 OJQGCXWAUSDJNL-MHWRWJLKSA-N 281.344 2.511 30 40 CFEB CN(CCc1ccncc1)c1ccc([N+](=O)[O-])cc1C#N 58015721 DNJGBYMQZXXNMJ-UHFFFAOYSA-N 282.303 2.540 30 40 CFEB CC1=NNC(=O)[C@H]1[C@@H](c1ccc(C(C)C)cc1)C(C#N)C#N 104815732 VOPCIEVXBIWKMR-CVEARBPZSA-N 294.358 2.679 30 40 CFEB C/C(Nc1ccccn1)=C1\C(=O)Oc2ccccc2C1=O 103447422 BUICQSTXYUZRMD-GXDHUFHOSA-N 280.283 2.569 30 40 CFEB CNc1nc(C/C(C)=N/OCc2ccccc2)ns1 10842171 JDPIFHTZSOKFDI-MHWRWJLKSA-N 276.365 2.715 30 40 CFEB O=C1C=C/C(=N\Nc2ccccc2[N+](=O)[O-])c2cccnc21 11582350 VZLSYIIBJWSTLT-GZTJUZNOSA-N 294.270 2.559 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)COc1cccc(Cl)c1 3535140 DQZLKUPCPCVJCA-AWEZNQCLSA-N 280.755 2.773 30 40 CFEB CCN1CCOC1=C1C(=O)CC(c2ccccc2C)CC1=O 20800882 JUFXBLKCCIIQSI-UHFFFAOYSA-N 299.370 2.574 30 40 CFEB N#CC1(COC(=O)c2ccc3ncccc3c2)CCOCC1 97056620 WAOLVWWAUZBEKS-UHFFFAOYSA-N 296.326 2.712 30 40 CFEB C=CCO[C@@H](C)C(=O)Nc1cnccc1N1CCCCC1 72281677 XXYXUQGWTZTWMX-ZDUSSCGKSA-N 289.379 2.602 30 40 CFEB CC[C@@H](C)Oc1cc(CNc2nccnc2C#N)ccn1 95990678 XOWPBMDAQCEGOU-LLVKDONJSA-N 283.335 2.533 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](Sc3ncc[nH]3)C2=O)cc1 96496691 CBBOEIIPKVVAAQ-CYBMUJFWSA-N 298.371 2.569 30 40 CFEB N#Cc1c(COC(=O)c2ccc(O)cc2)cn2ccccc12 14857926 FRBKLWBZPAISLN-UHFFFAOYSA-N 292.294 2.874 30 40 CFEB CCOC(=O)C/C(=N/c1ccc([N+](=O)[O-])cc1)OCC 101134028 ZJGJNPAVJZSQLA-OWBHPGMISA-N 280.280 2.615 30 40 CFEB N#Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2617907 HXGTVWIKOLUUEU-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB COC(=O)c1ccccc1C(=O)[C@@H](c1ccccc1)[N+](=O)[O-] 3130452 QRNXWMIKYCRKRD-CQSZACIVSA-N 299.282 2.674 30 40 CFEB biogenic C/C(=N\O)c1ncc(C(F)(F)F)cc1N1CCCC1 100067454 YSMUOZTYKXNOCC-CAOOACKPSA-N 273.258 2.899 30 40 CFEB Cc1ccc(OCCNc2ncccc2C#N)cc1 30621179 WQSHXKFERZBKCF-UHFFFAOYSA-N 253.305 2.753 30 40 CFEB N#CCN(C1CC1)S(=O)(=O)c1cccc2ccccc12 75108086 YRXGUGVIZCMLNG-UHFFFAOYSA-N 286.356 2.516 30 40 CFEB Cc1[nH]c(C(C#N)C#N)c(C#N)c1C(=O)c1ccccc1 1392752 CDUPSOLWESYIRV-UHFFFAOYSA-N 274.283 2.557 30 40 CFEB CCOC(=O)c1c(/N=C/N(C)C)sc(C)c1C 100843849 CWEIRPJFVUMMHX-NTUHNPAUSA-N 254.355 2.763 30 40 CFEB O[C@@H](/C=N/c1ccccc1)[C@H](O)/C=N\c1ccccc1 104093013 GCTDLJKMIDVREX-BHRBHXRWSA-N 268.316 2.513 30 40 CFEB Cc1ccccc1-n1ncc(C(=O)N(C)C[C@H](C)C#N)c1C 58357321 QFCAYWLZYQHSGZ-GFCCVEGCSA-N 296.374 2.721 30 40 CFEB CCn1c(C(=O)N[C@@]2(C#N)CCSC2)cc2ccccc21 58403185 ZSRXYBVJEDCDHP-MRXNPFEDSA-N 299.399 2.790 30 40 CFEB N#Cc1ccnc(N2CCN(CC3CCCCC3)CC2)c1 29446896 SKRZGDHGZICIEJ-UHFFFAOYSA-N 284.407 2.656 30 40 CFEB C=CCNC(=S)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 2778111 HQKNAPUPMHTPSO-AWEZNQCLSA-N 289.448 2.566 30 40 CFEB Cc1sc2ncn(CC#N)c(=O)c2c1-c1ccccc1 5017434 QSWRFNOTARCZLI-UHFFFAOYSA-N 281.340 2.957 30 40 CFEB N#CC1(NC(=O)COc2cc(Cl)ccc2Cl)CCC1 65584812 IWPCLCTWEMPYNZ-UHFFFAOYSA-N 299.157 2.935 30 40 CFEB O/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)[C@H]1CCOC1 66918001 KDOLEEXBDZZUCW-QMMMGPOBSA-N 292.726 2.750 30 40 CFEB C=CCNC1=NN=C(c2cc(C)n(CC=C)c2C)CS1 5890759 GPIZMQWWXHGSLB-UHFFFAOYSA-N 288.420 2.873 30 40 CFEB Cc1nnsc1C/N=C(/O)c1scnc1C(C)C 331345379 VJMLJVJVKOLYLQ-UHFFFAOYSA-N 282.394 2.931 30 40 CFEB CN(CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 3567544 VGPPCRVJWWSKEB-UHFFFAOYSA-N 265.316 2.633 30 40 CFEB CC(=O)Nc1ccc(Oc2nccc(N(C)C)c2C#N)cc1 20218584 DSLSHTKHZRBSPU-UHFFFAOYSA-N 296.330 2.770 30 40 CFEB CCSCC/C(O)=N/c1nc(-c2ccccn2)n[nH]1 44978217 VCKJGBBKJWQJLB-UHFFFAOYSA-N 277.353 2.598 30 40 CFEB Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C#N)c2)cn1 97144839 KSXKLBVOPMKNSK-UHFFFAOYSA-N 282.303 2.825 30 40 CFEB N#CCN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 36393857 ASMNKNFZZVHQDQ-LBPRGKRZSA-N 298.173 2.920 30 40 CFEB COc1cccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)c1O 6199837 XKGKUVRUWOMUGK-ATARQRRYSA-N 262.353 2.998 30 40 CFEB COc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1 6527172 RALJVYDMGWFTLX-RMKNXTFCSA-N 256.305 2.633 30 40 CFEB C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cc(C#N)ccn1 77908812 ZLMFXUFXUQSHAC-GFCCVEGCSA-N 289.404 2.858 30 40 CFEB N#Cc1ccc(C(=O)c2cccc(C3OCCO3)c2)cc1 43212526 MFOYLUGQFKIJJW-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB C=C(C)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 58918686 RNTWGGLMPZZIOI-AWEZNQCLSA-N 274.412 2.760 30 40 CFEB Cc1cc(C)c(CNc2c(F)cc(C#N)cc2F)c(=O)[nH]1 75094676 ZNRAATSKYXNMAP-UHFFFAOYSA-N 289.285 2.754 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccccn1 60100902 RGDMUMIFWXWAFD-UHFFFAOYSA-N 264.328 2.666 30 40 CFEB C/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 5494743 RBEWCSNCRDBANQ-MHWRWJLKSA-N 285.259 2.571 30 40 CFEB Cc1ccccc1NCC(=O)Nc1ccc(C#N)cc1 15085330 SJWDRFUNJOCABY-UHFFFAOYSA-N 265.316 2.917 30 40 CFEB CCCCNC(=S)N(C)/N=C/c1cccc([N+](=O)[O-])c1 3311404 CRBXIQIXORBEQW-XNTDXEJSSA-N 294.380 2.535 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 22408948 RBVAEQYQFYQLIG-UHFFFAOYSA-N 264.328 2.986 30 40 CFEB CN(C(=O)/C=C/c1ccc(C#N)cc1)C1CCCC1 40476676 ILPBTQQMSYKPPC-ZHACJKMWSA-N 254.333 2.972 30 40 CFEB COc1ccccc1CCN(C)C(=O)c1ccc(C#N)cc1 104456091 ZFFFBDZIFAWZHG-UHFFFAOYSA-N 294.354 2.882 30 40 CFEB C[C@H](C#N)NC(=O)C(C)(C)c1ccccc1Cl 95350137 HNUNIRRMMJSUOP-SECBINFHSA-N 250.729 2.646 30 40 CFEB N#CCCn1cc(C(=O)CN2CCCC2)c2ccccc21 58247713 PUPREVJDODJLDA-UHFFFAOYSA-N 281.359 2.833 30 40 CFEB CCC[C@@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 96336578 IAJCUTUTYXZIJX-SNVBAGLBSA-N 296.330 2.861 30 40 CFEB CO[C@]1(C)C[C@H](N(C)C(=O)c2cccc(C#N)c2)C1(C)C 75293610 FIVUINUWMXOJGB-WMLDXEAASA-N 286.375 2.834 30 40 CFEB CCOC(CN(C)C1=CC(=O)CC(C)(C)C1)OCC 4273414 FGGULDJEWIJDCX-UHFFFAOYSA-N 269.385 2.590 30 40 CFEB biogenic N#CCC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 197978776 ALGSVCMKAIRSLI-UHFFFAOYSA-N 258.155 2.710 30 40 CFEB Cc1ccc(S(=O)(=O)OC2[C@@H]3C=C[C@H]2CC3)cc1 45069390 CPIDNWGXOKVSLP-ONXXMXGDSA-N 264.346 2.665 30 40 CFEB C=CCNC(=O)Nc1nnc(-c2cccc(SC)c2)o1 44224923 YQSZQBJMJMNBHQ-UHFFFAOYSA-N 290.348 2.766 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(C)o1 96057820 GISAAMSFKNMCHP-ARFHVFGLSA-N 277.364 2.522 30 40 CFEB CN(CCC#N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 37328599 YGXPNTXCDABWMF-UHFFFAOYSA-N 273.214 2.963 30 40 CFEB O=C(/C=C\c1ccccc1)c1ccc(O)c(O)c1O 33784794 MSDGTBGJKOTHCN-VURMDHGXSA-N 256.257 2.700 30 40 CFEB C#CCN1CCCC[C@@H]1/C(O)=N/CCc1ccccc1 40134919 UTFOHNKVRSLTBZ-MRXNPFEDSA-N 270.376 2.673 30 40 CFEB COc1ccc(/C=N/[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 244225 CZTMDZPKDBTDSQ-VVHNOBQSSA-N 260.381 2.843 30 40 CFEB N#C[C@@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1 103504203 GKBPXVKWTYBNMG-INIZCTEOSA-N 292.338 2.967 30 40 CFEB N#Cc1cccc(CNC[C@@H](O)c2ccc(F)c(F)c2)c1 37501673 LSCSBQRIQSDOFZ-MRXNPFEDSA-N 288.297 2.660 30 40 CFEB CCn1c(COc2cccc(C)c2)nnc1SCC#N 4169172 JBOQXSIENGCFFL-UHFFFAOYSA-N 288.376 2.801 30 40 CFEB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC#N)c2ccccc21 58282060 FVPZFASSESXSKN-KCQAQPDRSA-N 285.391 2.807 30 40 CFEB C#CCNC(=O)c1sccc1-n1c(C)ccc1C 49084260 LTACOZWYFPIYKO-UHFFFAOYSA-N 258.346 2.519 30 40 CFEB N#C[C@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccn1 49456344 UPJITZGCKHMPCY-NPQIQWPPSA-N 293.282 2.879 30 40 CFEB Cc1ccc(/C(N)=N/OC(=O)C2CCCCC2)cc1 6426517 FXQNJQCYUHNHLO-UHFFFAOYSA-N 260.337 2.739 30 40 CFEB CC[C@H](CO)N/C(C)=C/C(=O)c1ccc(Cl)cc1 6652305 UGNLKUHUVHSITK-AORWBKJGSA-N 267.756 2.787 30 40 CFEB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N)c1C#N 408920570 KGBKBIWYNIUEDR-UHFFFAOYSA-N 283.722 2.812 30 40 CFEB COc1ccc(OC)c(C(=O)Oc2ccc(C#N)cc2)c1 15356097 ZWSFJHBHQOMFPT-UHFFFAOYSA-N 283.283 2.795 30 40 CFEB Cc1cc(O)nc(SCC(=O)c2ccccc2)c1C#N 8681762 GQWVQZNEVACPKC-UHFFFAOYSA-N 284.340 2.942 30 40 CFEB CC(=O)Nc1ccc(Oc2nnc(C)c(C)c2C#N)cc1 74144130 BSFHOGKKCSNWGZ-UHFFFAOYSA-N 282.303 2.716 30 40 CFEB N#Cc1ccc(Cl)cc1NCCSCCCO 76062973 OHOJHHBWJDBINY-UHFFFAOYSA-N 270.785 2.739 30 40 CFEB C=CCN1/C(=N/c2ccccc2)SC/C1=C\C(=O)OC 54235657 APVUFWLYKQVAHF-XMQQHHPKSA-N 288.372 2.966 30 40 CFEB C=CCNC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917019 CTDOHNPJTOHDID-UHFFFAOYSA-N 282.347 2.753 30 40 CFEB C=CCOc1ccc(NC(=S)NC(C)C)cc1 225270703 CZMJSNRLTDDEDB-UHFFFAOYSA-N 250.367 2.946 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC12CCOCC2 98018434 FMOHQHPRIDHKNW-KRWDZBQOSA-N 297.398 2.774 30 40 CFEB C/C(=N/NC(=S)NCC(C)C)c1cccs1 17314138 XFTPWFPFLXNIIT-LCYFTJDESA-N 255.412 2.592 30 40 CFEB Cc1cc(C)cc(/N=C/c2c(CO)cnc(C)c2O)c1 5110594 DKWQDYDUIVKAAI-QGMBQPNBSA-N 270.332 2.955 30 40 CFEB C(=N\N1CCN(Cc2ccccc2)CC1)\c1ccccc1 19372219 UOBZLUUOGDBSRF-CYVLTUHYSA-N 279.387 2.838 30 40 CFEB COc1ccc(Cc2nc(C#N)cs2)cc1OC 19723173 TZSJJIBHKJXXPF-UHFFFAOYSA-N 260.318 2.623 30 40 CFEB N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1 12804090 FOHZEYYBQOGBDX-UHFFFAOYSA-N 292.386 2.666 30 40 CFEB COc1ccc(-c2cnc(SCC#N)n2C)cc1 44085236 RTUVJWSVWAATBH-UHFFFAOYSA-N 259.334 2.711 30 40 CFEB C=CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)N2 97095613 KMQMDHIBEGNPGI-CVEARBPZSA-N 272.392 2.578 30 40 CFEB C[C@H](Nc1ncccc1C#N)[C@H](O)c1ccc(F)cc1 78673180 MZUOZLRUKUMNPE-HZMBPMFUSA-N 271.295 2.626 30 40 CFEB Cc1cc(O)nc(N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)n1 102944972 GOHVJEPTQWSJHA-VHDTZWJUSA-N 272.352 2.881 30 40 CFEB Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C)c1 6315787 PDKMELDNLZQGMC-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB C#CCN(C(=O)c1c(CC)noc1C)C1CCCCC1 65777287 WTDFCBHNOPHEDU-UHFFFAOYSA-N 274.364 2.954 30 40 CFEB C[C@@H](NCc1cn2ccccc2c1C#N)[C@@H](C)n1cccn1 72269926 DAVLGCZURGFUOA-ZIAGYGMSSA-N 293.374 2.747 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(OC)c(C)c2)C1=O 15010944 AOKHPAPSXMWQME-LCYFTJDESA-N 287.340 2.673 30 40 CFEB N#Cc1cccc(NC(=O)c2cnc3ccccc3n2)c1 7212818 KSZOJELBPCFGBE-UHFFFAOYSA-N 274.283 2.754 30 40 CFEB Cc1ncc(CNc2snc(C)c2C#N)s1 86254839 JSCAEFDFTBVIEV-UHFFFAOYSA-N 250.352 2.700 30 40 CFEB Cc1ccnc(NC[C@@H]2CCN(c3ncccc3C#N)C2)c1 65446846 BKVCEKUVPOQDMW-AWEZNQCLSA-N 293.374 2.595 30 40 CFEB Cc1cccc(/N=C\c2ccc(OCC(N)=O)cc2)c1 408904099 DRBSEGUUSPJLHM-ZDLGFXPLSA-N 268.316 2.610 30 40 CFEB COCCN(C)c1ccc(/C=C/c2ccc(C#N)cn2)cn1 191272695 QSXZYNHWUMCWGZ-ZZXKWVIFSA-N 294.358 2.601 30 40 CFEB C=CCNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 224851929 HCJUHQRTLASENO-UHFFFAOYSA-N 286.331 2.585 30 40 CFEB CC1(C)OB(c2cc(F)c(F)cc2Cl)OC1(C)C 231299871 JMRMQKLNWZBIEO-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB CCn1c(C)nc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 256053723 SOWQSHAVIMATDS-UHFFFAOYSA-N 286.184 2.664 30 40 CFEB CN(C)c1ccc(/C=N/c2cccc(C(N)=O)c2)cc1 297463 RWSYEYHMIKPQSQ-WOJGMQOQSA-N 267.332 2.602 30 40 CFEB CCOC(=O)c1csc(N/N=C(\C)c2ccncc2)n1 16687928 LTGOPTWEELVVIO-CXUHLZMHSA-N 290.348 2.551 30 40 CFEB CCOC(=O)/C(=C/c1cccc(Cl)c1)C(C)=O 1624757 XNQUEGZRSAENCP-XYOKQWHBSA-N 252.697 2.876 30 40 CFEB C[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N2CCCC[C@@H]12 4619044 ZHNJPBGBQFADIA-MNOVXSKESA-N 261.365 2.703 30 40 CFEB COC(=O)c1ccc(/N=C\c2ccc3c(c2)OCO3)cc1 100299833 QZPFQVFJPPFHOK-MFOYZWKCSA-N 283.283 2.953 30 40 CFEB CCN(CC)C(=O)Cn1c(C)c(C#N)c2ccccc21 555444 TUJJVRJZAWTAEP-UHFFFAOYSA-N 269.348 2.690 30 40 CFEB C=CCCC(=O)NC[C@@H](C)Oc1cccc(F)c1 78877748 RZJCKDKCJNFSFF-LLVKDONJSA-N 251.301 2.675 30 40 CFEB CCOC(=O)/C(C#N)=N/Nc1ccc(C(F)(F)F)cc1 103546636 WMEXYZNUBWLWBB-VCHYOVAHSA-N 285.225 2.560 30 40 CFEB C/C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=N\O 104150475 PUSDKNAQCQFZBD-QLKAYGNNSA-N 272.025 2.621 30 40 CFEB N#Cc1cccc(/N=c2\ssnc2Cl)c1 13395100 YKOMGEKLHRCUSQ-XFXZXTDPSA-N 253.739 2.962 30 40 CFEB C[C@@H]1CN(C)/C(=N\C(=S)Nc2ccccc2)S1 13809861 KCFKNXFAMDRFON-MPJCXMIRSA-N 265.407 2.807 30 40 CFEB CCCOc1ccc(NC(=O)C(F)(F)F)cc1C#N 225782479 LCBBQBWLKXHBSA-UHFFFAOYSA-N 272.226 2.848 30 40 CFEB CC(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)s1 225670336 OGTVZZMFWZKZTM-UHFFFAOYSA-N 298.367 2.795 30 40 CFEB C=C(C)C(=O)NCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 255190263 VZNPOJLMBJLLMM-HZSPNIEDSA-N 281.396 2.683 30 40 CFEB CN1CCC/C1=N/C(=N\c1ccccc1)N1CCCC1 11682038 UFJFKQGRZLHOBO-PITQLBPFSA-N 270.380 2.894 30 40 CFEB CC(=O)C1=C(O)/C(=C\C=C/c2ccccc2)OC1=O 17105778 ABKIYVGPMWZYOU-JWAJRPJHSA-N 256.257 2.542 30 40 CFEB Cc1ccc(/C=C/C(=O)C(CN(C)C)CN(C)C)cc1C 1584558 XSDGPKZRENOEDZ-MDZDMXLPSA-N 288.435 2.625 30 40 CFEB Cc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 5419786 NJBCCVUXKPILEC-OVCLIPMQSA-N 256.265 2.744 30 40 CFEB Cc1cc(C)c(OCC(=O)N[C@](C)(C#N)C2CC2)c(C)c1 32736004 ATECXQLIUXNWDO-QGZVFWFLSA-N 286.375 2.799 30 40 CFEB N#CC1(C(=O)NCC2(c3ccccc3)CC2)CCCC1 42010036 RUGQTYWXSFAGIT-UHFFFAOYSA-N 268.360 2.918 30 40 CFEB Cc1ccc(C(=O)NC(C)(C)C#N)cc1Br 78974372 UPHZQDGHCWVOMG-UHFFFAOYSA-N 281.153 2.790 30 40 CFEB C#Cc1cccc(NC(=O)Cc2ccccc2OC)c1 24969850 HDLXVGHBXXKFOG-UHFFFAOYSA-N 265.312 2.858 30 40 CFEB CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccnc1 58038185 QUFUPCQZSGECCQ-LBPRGKRZSA-N 261.325 2.903 30 40 CFEB in-vitro COc1ccc(/C=C/C(=O)/C=C(\N)C(F)(F)F)cc1 100365798 HZHGNTLLFNPLBZ-FDURECBRSA-N 271.238 2.682 30 40 CFEB COc1ccc(C(=O)[C@H](C#N)c2ccccn2)c(OC)c1 46439771 PHSWIHGAGUWVQD-CYBMUJFWSA-N 282.299 2.589 30 40 CFEB C=CCOc1ccc(C(=O)n2nc(C)cc2C)cc1 4512582 XPEUVKSPIHQVNI-UHFFFAOYSA-N 256.305 2.753 30 40 CFEB N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3)C2)c1 71882472 OQEWLABVGLQVFR-QGZVFWFLSA-N 277.371 2.927 30 40 CFEB O=C(O)c1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 16755517 ITXOBXSGTZJLAO-AUWJEWJLSA-N 282.251 2.707 30 40 CFEB N#CCC[C@@H](C#N)CN1CCO[C@@H](c2ccsc2)C1 89885441 CGRHZTGJGGAQKS-GXTWGEPZSA-N 275.377 2.565 30 40 CFEB Cc1sc(NC(=O)C2CCOCC2)c(C#N)c1C 24637382 IKHYZGPDYDYODB-UHFFFAOYSA-N 264.350 2.602 30 40 CFEB Cc1cc(C)nc(N/N=C\c2ccc(Br)o2)n1 408992360 APXSTAUKETZEBG-MLPAPPSSSA-N 295.140 2.895 30 40 CFEB COC(=O)[C@H]1O[C@@]1(C)c1ccc(Cl)cc1Cl 85657661 KVDMLLNFJWIQDE-KOLCDFICSA-N 261.104 2.780 30 40 CFEB O=CC12CCC(NC(=O)OCc3ccccc3)(CC1)C2 199686478 PFDXJLREKRUEBM-UHFFFAOYSA-N 273.332 2.815 30 40 CFEB C[C@H]1CC(C)(C)C[C@](CO)(NCCCCC#N)C1 96452934 TUDJYRFHRJRBAN-DZGCQCFKSA-N 252.402 2.847 30 40 CFEB CCN(CC)c1nn(-c2ccc(Cl)cc2)nc1C#N 256046346 FJSMELXWSMJOTL-UHFFFAOYSA-N 275.743 2.639 30 40 CFEB C=CCCO[C@H](C)C(=O)NCc1nc2c(s1)CCCC2 72309913 BLIUXVLFRPHOSH-LLVKDONJSA-N 294.420 2.619 30 40 CFEB COCOc1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 1083799985 KDZGWHGUTXLWSA-UHFFFAOYSA-N 298.575 2.622 30 40 CFEB C=C(C(=O)OC(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F 1083809141 LQBYELMFEGXXGA-UHFFFAOYSA-N 294.191 2.740 30 40 CFEB CC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C)cc1C 48475994 JJDZVIOZTGIIOX-JTQLQIEISA-N 269.366 2.995 30 40 CFEB CN(CCC(=O)Nc1sccc1C#N)Cc1ccco1 25397277 OBFNFJUHEKAHMO-UHFFFAOYSA-N 289.360 2.673 30 40 CFEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(O)cc1O 5677848 MZVRJKHSDWQUAT-ORCRQEGFSA-N 298.294 2.765 30 40 CFEB CC(C)c1nc(NC[C@@H](C)O)c(C#N)c2c1CCCC2 20573699 DIDLWRSCFLKUDS-LLVKDONJSA-N 273.380 2.748 30 40 CFEB COC(=O)c1ccc(/N=C/c2ccc(OC)c(O)c2)cc1 587925 AGYPFELYSYMAOI-LICLKQGHSA-N 285.299 2.938 30 40 CFEB C#CCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 22390684 LHIZUNGBFPZDIN-LBPRGKRZSA-N 250.729 2.724 30 40 CFEB N#Cc1ccsc1NC(=O)c1ccc([N+](=O)[O-])s1 2642307 NHDFDUQLJAEMNW-UHFFFAOYSA-N 279.302 2.842 30 40 CFEB COc1cccc(/C=N/N2[C@H](C)CCC[C@H]2C)c1O 6586380 XKGKUVRUWOMUGK-DYBVGFEPSA-N 262.353 2.998 30 40 CFEB Cc1cc(NC(=O)/C=C/c2ccccc2)n(CCC#N)n1 58192682 WMXSWTWTLQDUHC-CMDGGOBGSA-N 280.331 2.757 30 40 CFEB COc1ccc(C(=O)Cc2cc(C#N)c(C#N)cc2O)cc1 66087413 NJKUZVSRRQVOEM-UHFFFAOYSA-N 292.294 2.570 30 40 CFEB N#Cc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 7216383 WYVWYWCWRDYRMA-HNNXBMFYSA-N 278.311 2.812 30 40 CFEB Clc1ccc(C2=NN/C(=N\C3CC3)SC2)s1 9577848 KNUQIMVVUKOQPQ-UHFFFAOYSA-N 271.798 2.960 30 40 CFEB COc1cccc(/C=N/c2ccc3c(c2)OCCO3)c1O 17719618 IIJBMHBXGVHQNS-LICLKQGHSA-N 285.299 2.923 30 40 CFEB C/C(=N\NC(=S)NC(C)C)c1ccc(Cl)s1 8692220 AAHNUVPXJPBMQI-NTUHNPAUSA-N 275.830 2.998 30 40 CFEB Cc1cc(N)nc(S[C@@H](C#N)C2CCCCC2)n1 71908670 KWMYJQQGQNUBKO-NSHDSACASA-N 262.382 2.932 30 40 CFEB COc1ccc([C@H](C)CCNC(=O)C(C)(C)C#N)cc1 76022178 MYRMUKDKQZSEOX-GFCCVEGCSA-N 274.364 2.855 30 40 CFEB N#Cc1ccc(Sc2ncnc3[nH]ncc23)c(F)c1 76064150 YODGIDIQPMWGHU-UHFFFAOYSA-N 271.280 2.515 30 40 CFEB CCCCOC(=O)c1ccc(NC(=O)C2(C#N)CC2)cc1 225992833 ULNDPPNXONNEMH-UHFFFAOYSA-N 286.331 2.886 30 40 CFEB C=CCN(C)[C@H](CO)c1cccc(Br)c1 96487667 KKNKQDPQRFKJQR-GFCCVEGCSA-N 270.170 2.600 30 40 CFEB COc1cccc(F)c1C(=O)/C=C/c1csnn1 96427033 QBWIXFAPNCFRBZ-AATRIKPKSA-N 264.281 2.582 30 40 CFEB N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1 44977057 QMAZORCBPGHJKH-UHFFFAOYSA-N 275.315 2.942 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 13012980 MCPNKRFFGNCMIU-UHFFFAOYSA-N 266.256 2.539 30 40 CFEB O=S(=O)(/N=C(\O)Cc1ccccc1)c1ccccc1 1613245 QIDBVSWICYZCSP-UHFFFAOYSA-N 275.329 2.575 30 40 CFEB C=C(C)CNC(=O)Nc1cccc(N2CCCC2)c1 156889910 VPJSYHSOBSNTGB-UHFFFAOYSA-N 259.353 2.984 30 40 CFEB Cc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)o1 3331284 MOEMDMLNRNGOBZ-UHFFFAOYSA-N 254.289 2.732 30 40 CFEB C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccco1 20757010 DSZYXGGCLBOLJZ-NTCAYCPXSA-N 292.360 2.599 30 40 CFEB C#CCNC(=O)/C=C/c1cc(Cl)c(OCC)c(OC)c1 32504125 FOONEPASIMFWHG-VOTSOKGWSA-N 293.750 2.510 30 40 CFEB C=CC[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1 495127 RGFGKBXPOFNLSX-UHFFFAOYSA-N 297.165 2.546 30 40 CFEB CC(C)(C#N)c1ccc(NC(=O)C2CCOCC2)cc1 23134072 GVPTVNKSSMCEIL-UHFFFAOYSA-N 272.348 2.853 30 40 CFEB CN(Cc1cccc(Cl)c1)c1nccnc1C#N 54379273 VIDGYNNDZFWSQZ-UHFFFAOYSA-N 258.712 2.638 30 40 CFEB COc1ccc(N)cc1/N=C/c1ccc(C#N)cc1 3236746 HDJSHLWUGXULCA-VCHYOVAHSA-N 251.289 2.900 30 40 CFEB O/N=C\N=C(/S)Nc1ncc(C(F)(F)F)cc1Cl 13555634 CDVYMIMIJVKINV-UHFFFAOYSA-N 298.677 2.869 30 40 CFEB C=CCNC(=O)c1c[nH]c2ccc(Br)cc12 14094625 QCLUCQCPTSRTDM-UHFFFAOYSA-N 279.137 2.846 30 40 CFEB CCCN(C)c1ccc(C(=O)N[C@H](C#N)CC)cc1 69464754 LBCLLDAJMWWSBW-ZDUSSCGKSA-N 259.353 2.565 30 40 CFEB Cn1nccc1CCNc1ccc(C(F)(F)F)c(C#N)c1 97145513 SNRBXGNGFFHIKQ-UHFFFAOYSA-N 294.280 2.965 30 40 CFEB N#Cc1c(F)cccc1Oc1ccc2nccnc2n1 95974619 GTFUMBCPIGJNSW-UHFFFAOYSA-N 266.235 2.828 30 40 CFEB OC1(C#CCN2CCCC[C@@H]2c2cccnc2)CCCC1 55243742 MQNVBNMTCBVWDQ-QGZVFWFLSA-N 284.403 2.917 30 40 CFEB biogenic C=C(Br)CN1CC[C@@H](CN(C)CC2CC2)C1 96447063 HBLIGRNSHTWICU-ZDUSSCGKSA-N 287.245 2.559 30 40 CFEB CN(CCC#N)c1ccc(Br)c(F)c1 95915910 YVYJKWQYYNTRBH-UHFFFAOYSA-N 257.106 2.938 30 40 CFEB O=COCCCC(F)(F)C(F)(F)C(F)(F)F 1565660573 BOAQOMSYYKOLDW-UHFFFAOYSA-N 256.117 2.773 30 40 CFEB N#Cc1cc(NCCSCCCO)nc2ccccc12 76062986 YXIYDZVHKCWMJK-UHFFFAOYSA-N 287.388 2.634 30 40 CFEB Cc1nc(C)c(C#N)c(SC[C@@H]2CCCCO2)n1 22765511 QHJZLXKPUZXMJC-NSHDSACASA-N 263.366 2.626 30 40 CFEB COc1ccc(/C=N/N(C)c2ccccc2)cc1O 3899989 DZLGLKDXQWSUSZ-LFIBNONCSA-N 256.305 2.871 30 40 CFEB N#Cc1ccc(NCC(=O)N2CCc3ccccc3C2)cc1 12540376 DJLGRNYYMQXNPG-UHFFFAOYSA-N 291.354 2.555 30 40 CFEB Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(C#N)c1 24988450 PBAUYZQIOIVRKB-UHFFFAOYSA-N 282.347 2.842 30 40 CFEB N#Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1 3244997 YRROOJIOMGTONR-UHFFFAOYSA-N 287.388 2.952 30 40 CFEB Nc1nonc1NC1=CC(=O)C[C@@H](/C=C/c2ccccc2)C1 100903290 AVJVLVVPHJKCFF-SYTKJHMZSA-N 296.330 2.640 30 40 CFEB CCC(=O)NCCCNc1nc2c(C)cccc2cc1C#N 20151464 SEONXVBLGCGMKL-UHFFFAOYSA-N 296.374 2.743 30 40 CFEB CC1(C)CC(=O)C/C(=N\c2ccc3[nH]c(=O)[nH]c3c2)C1 100098525 PZEFIOGEDGFXRK-MHWRWJLKSA-N 271.320 2.708 30 40 CFEB O=S(=O)(Cc1ccccc1)/N=C(\O)c1ccc(F)cc1 48519338 CXAWWEJXXKKCJR-UHFFFAOYSA-N 293.319 2.660 30 40 CFEB CCCc1nc(N2CCN(C)CC2)c(C#N)c2c1CCCC2 6719978 NLVKDMFKRXNNRD-UHFFFAOYSA-N 298.434 2.536 30 40 CFEB C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC#N 96414360 XRIREKSMASUDHX-JTQLQIEISA-N 284.281 2.866 30 40 CFEB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 7386058 ATWWHHIJLCZMES-MJBXVCDLSA-N 285.391 2.863 30 40 CFEB CN(C)CCNc1oc(/C=C/c2cccs2)nc1C#N 8374235 OPYNQPSDCRMKDJ-AATRIKPKSA-N 288.376 2.752 30 40 CFEB COc1ccc(OC)c(C(=O)/C=C/c2ccncc2)c1 32117165 GONLXSWOVUFJAZ-HWKANZROSA-N 269.300 2.995 30 40 CFEB N#CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 133689524 DZIUJQJUTZETCF-UHFFFAOYSA-N 298.264 2.961 30 40 CFEB CC(C)Cn1nc(OCc2ccc(F)cc2)c(C#N)c1N 225834732 VFYGKFYGQFXSQE-UHFFFAOYSA-N 288.326 2.711 30 40 CFEB CC(C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254413942 WYSDOKPZMGYVGI-UHFFFAOYSA-N 252.230 2.557 30 40 CFEB C[C@@](O)(CNc1cc(Cl)ccc1C#N)C1CC1 95398940 PBGXFLWCBNBYRM-CYBMUJFWSA-N 250.729 2.785 30 40 CFEB CN(CC#C[Si](C)(C)C)Cc1ccc2c(c1)OCO2 196758081 QDRIOVBJWSVFSX-UHFFFAOYSA-N 275.424 2.728 30 40 CFEB CC(C)C/C(NC(=O)OC(C)(C)C)=C(/[O])[C@@]1(C)CO1 1560411858 ZWMPDFNHLOZTHX-CQSZACIVSA-N 270.349 2.988 30 40 CFEB N#C/N=C1\N=[S@](=O)(c2ccccc2)c2ccccc21 18210111 FLYMZSKTSGKHJB-VDUFWMCCSA-N 267.313 2.814 30 40 CFEB CC(/C=C/c1ccco1)=N\c1ccc(S(N)(=O)=O)cc1 5371108 GPZQLKXYWXYPPZ-UYHGDYIZSA-N 290.344 2.733 30 40 CFEB COc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1 37324 SBIOGXDBYGNYPZ-UHFFFAOYSA-N 280.327 2.942 30 40 CFEB biogenic N#CCc1nc(OCc2ccccc2)ccc1[N+](=O)[O-] 34337741 OGTHCIVCSUBYSS-UHFFFAOYSA-N 269.260 2.635 30 40 CFEB N#C[C@@H]1[C@H](C#N)[C@@H]2C[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]21 4721939 PZPNYKYVUALETI-GHRCFYLDSA-N 263.304 2.540 30 40 CFEB N#C[C@H](C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccccn1 106867732 FVNMADWYVYEHDR-IGQOVBAYSA-N 297.358 2.555 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/N=C(\S)Nc2ccccc2)o1 8687620 CUHPRPSWISMFMH-MDWZMJQESA-N 290.304 2.920 30 40 CFEB N#Cc1ccc(CNC(=O)NCCc2cccc(F)c2)cc1 48201515 VBKQSGVRHMCMJI-UHFFFAOYSA-N 297.333 2.739 30 40 CFEB Cn1cc(C(=O)/C=C/c2c[nH]nc2-c2ccccc2)cn1 58228140 ABBORABLPAUDDJ-BQYQJAHWSA-N 278.315 2.706 30 40 CFEB O=[N+]([O-])c1cccc(/C=N\c2ccccc2O)c1O 103287234 ANNIUCHBAXJUNU-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB N#CCSCC(=O)N1CCC[C@H]1c1ccsc1 46915169 YWXUMAAROMSPBI-NSHDSACASA-N 266.391 2.668 30 40 CFEB CC[C@H](C)/N=C(\N)NCc1cccc(COC(C)C)c1 65610468 ORPPRHWRFGEIHE-ZDUSSCGKSA-N 277.412 2.814 30 40 CFEB COc1cccc(NC(=O)CSc2ncccc2C#N)c1 7051418 DCTJMTRGOBOANU-UHFFFAOYSA-N 299.355 2.693 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451222 FDHXSHNVDKRBNJ-HNNXBMFYSA-N 295.342 2.668 30 40 CFEB N#Cc1cccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 7974241 YXSWZSGFCGCPEW-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C#N)c2ccsc2)n1 71847758 CCPKWPMFYVNBGL-AAEUAGOBSA-N 288.376 2.504 30 40 CFEB N#C[C@H](c1cccc(Cl)c1Cl)N1CCOCC1 19935075 YMFJSQBHINZZKI-LLVKDONJSA-N 271.147 2.890 30 40 CFEB CC(=O)Nc1ccc(/C=C2/Cn3cccc3C2=O)cc1 98054313 GCMMHQQWYFOAQC-LCYFTJDESA-N 266.300 2.726 30 40 CFEB C=CCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 409098338 PNQXTFVXLXTEQK-KPKJPENVSA-N 289.312 2.638 30 40 CFEB Cn1c(C(=O)Nc2ccc(C#N)cc2)cc2occc21 36360635 XPYLAZINBXCYCP-UHFFFAOYSA-N 265.272 2.895 30 40 CFEB C[C@@H](N[C@H](CO)c1ccco1)c1ccc(C#N)cc1 96493428 QTOKZPKZDHQKIB-BXUZGUMPSA-N 256.305 2.535 30 40 CFEB CN(Cc1cc(C#N)ccc1F)Cc1ncc(Cl)n1C 95949224 NVIFRRZTOSWATD-UHFFFAOYSA-N 292.745 2.716 30 40 CFEB C=C(C)Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O 13135792 UEAQYUVBGGWOSH-UHFFFAOYSA-N 295.342 2.993 30 40 CFEB CCOc1ccccc1/C=N/Nc1nc(C)cc(C)n1 5158158 YMSOGGBTQBNRMO-MHWRWJLKSA-N 270.336 2.938 30 40 CFEB C[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 5358111 YLUPTEYKJCDJHX-XHCVWTGESA-N 277.324 2.690 30 40 CFEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(C#N)c1C 223716462 WLOZDJKSFFWRIY-UHFFFAOYSA-N 254.289 2.972 30 40 CFEB N#Cc1c(N)nc(-c2ccc(Cl)cc2)c(C#N)c1C#N 20404993 CHDQAMATHPVKQT-UHFFFAOYSA-N 279.690 2.599 30 40 CFEB C[C@@H]1CCCc2sc(NC(=O)CCC(=O)O)c(C#N)c21 188233 JSJJIXRTUMQSJY-MRVPVSSYSA-N 292.360 2.863 30 40 CFEB CC1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 555432 OUUIEDVEFIEZCH-UHFFFAOYSA-N 281.359 2.771 30 40 CFEB CCCC/C(=N\NC(N)=S)c1cc(C)cc(C)c1O 55145994 OQEOACSSPWTWQP-FOWTUZBSSA-N 279.409 2.737 30 40 CFEB C=CCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 27635956 XVIIEXZLRRIQEE-UHFFFAOYSA-N 293.729 2.889 30 40 CFEB N#CCC[C@@H](C#N)Cn1nc(N2CCCC2)sc1=S 49002179 NJCOTQJWPPGKMH-JTQLQIEISA-N 293.421 2.718 30 40 CFEB CCOc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cn1 93242870 RCRCITOOWAZLHM-NSHDSACASA-N 287.344 2.735 30 40 CFEB Cc1ccc(C[C@@H]2S/C(=N/c3ccccn3)NC2=O)cc1 13425366 VTSLUUJUPZFKPH-ZDUSSCGKSA-N 297.383 2.852 30 40 CFEB aggregator N#Cc1c(Br)nc2c(c1C#N)CCCCC2 15109771 RACYWIZOKCPRNM-UHFFFAOYSA-N 276.137 2.856 30 40 CFEB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(C#N)c1)C2=O 9579154 SQHUDPPVDPSCTB-YVEFUNNKSA-N 297.358 2.559 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@]3(C)O[C@H]3[C@@H]21 70454473 CQNNGKUJKJXDCO-IEFGFUDGSA-N 250.338 2.857 30 40 CFEB biogenic,in-vitro C=CCn1c([C@H]2CC(=O)N(CC3CC3)C2)nc2ccccc21 8793627 QWYCAXAVAJNNOF-AWEZNQCLSA-N 295.386 2.948 30 40 CFEB C=CCOC1CCN(C(=O)c2cc(C)c(CC)o2)CC1 97014983 HMOVSBVNWVVMPN-UHFFFAOYSA-N 277.364 2.958 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CSc1ccccc1C#N 75146503 AXXXKVWHHZXCDO-HNNXBMFYSA-N 287.388 2.705 30 40 CFEB Cc1ccc([N+](=O)[O-])c(C(=O)OCCCCC#N)c1 76090767 NHPUYWFESJFVRP-UHFFFAOYSA-N 262.265 2.754 30 40 CFEB COC(=O)c1c[nH]c(S[C@@H](C)c2ccc(C#N)cc2)n1 193549372 ZWXVFCRAOOSCNP-VIFPVBQESA-N 287.344 2.921 30 40 CFEB O=C(NO)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 226290035 XBYVSFDDQKXFHZ-UHFFFAOYSA-N 282.639 2.627 30 40 CFEB CCc1[nH]nc2c1/C(=N\O)C[C@@H](c1ccccc1)C2 18157345 ISILGQRKZHKECV-WMEZLHQCSA-N 255.321 2.880 30 40 CFEB C/C1=C\CC[C@]23O[C@H]2[C@@H](OC3=O)c2c(C)coc2C1 898605 KBMSVODXFLAQNJ-DXGHHDSJSA-N 260.289 2.606 30 40 CFEB biogenic,in-vitro C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 5936334 XEYJCGJAFIJQDT-STQMWFEESA-N 271.364 2.617 30 40 CFEB C[C@H](NC(=O)c1cc(F)ccc1N)c1ccc(C#N)cc1 37508760 ZMQWOBZNBUSVHD-JTQLQIEISA-N 283.306 2.771 30 40 CFEB in-vitro COc1cc(NC(=O)c2cccc(C#N)c2)cc(OC)c1 6790416 CHYIGHDKTIDDRI-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)[nH]c1=O 8653403 MCWZXFPSWAFDQC-UHFFFAOYSA-N 277.283 2.756 30 40 CFEB CC(C)(C)/N=C(/Cc1ccccc1)N1CCOCC1 104210615 NSLOWRCOXSCBHE-ICFOKQHNSA-N 260.381 2.758 30 40 CFEB COC1=C/C(=N\Br)C=C/C1=N/Br 104224463 JWIJZVGXGSQZDI-IEESQIRDSA-N 293.946 2.588 30 40 CFEB C#CCC1(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CCC1 95444799 RMTBYWLUQREDMY-UHFFFAOYSA-N 298.386 2.797 30 40 CFEB C=CCOC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccco2)O1 96056382 MZQVBRUAQYQDQN-BZUAXINKSA-N 277.364 2.604 30 40 CFEB C=CCOc1ccccc1C(=O)N[C@H]1CCC[C@H]1OC 252483198 DXDHMFFQJNDJBB-DZGCQCFKSA-N 275.348 2.549 30 40 CFEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C2CC2)c(C)c1 30284439 ZUUQXTLLOGISHM-MRXNPFEDSA-N 271.364 2.524 30 40 CFEB N#CCc1c(F)c(F)cc(Br)c1F 75925831 KNOKJGTWIZKMJS-UHFFFAOYSA-N 250.017 2.932 30 40 CFEB CS/C(=N\C#N)SCOc1cccc([N+](=O)[O-])c1 15441932 ZZFASDFIBSKFEF-ZRDIBKRKSA-N 283.334 2.864 30 40 CFEB CC(=O)Nc1ccc(/C=N/N=C\c2ccccc2O)cc1 16919687 TXLIKAKIPJQNFE-VJTUXUFQSA-N 281.315 2.804 30 40 CFEB N#CCOC(=O)C1c2ccccc2Oc2ccccc21 6612107 YIZJOIUFQDAMSK-UHFFFAOYSA-N 265.268 2.991 30 40 CFEB C#Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 23359194 YBIHGBBKXXLRPO-UHFFFAOYSA-N 266.256 2.828 30 40 CFEB N#CCSc1nnc(NC(=O)Nc2cccs2)s1 5253697 GAJQEWRXPOWDFU-UHFFFAOYSA-N 297.390 2.859 30 40 CFEB CC1=C/C(=N\OC(=O)c2cccc3nc(C)oc23)C=CC1=O 108448 METVRHCYLSUYQU-WQRHYEAKSA-N 296.282 2.734 30 40 CFEB COc1ccc(Cc2cccc(O)c2C#N)cc1OC 1389980 MAVSPDSCBUMZFQ-UHFFFAOYSA-N 269.300 2.872 30 40 CFEB C=CCSCCNC(=O)c1cccc2[nH]ccc12 95406162 XADYGYVWNVWYRH-UHFFFAOYSA-N 260.362 2.817 30 40 CFEB N#Cc1ccc(Cn2ccnc2[C@@H](O)c2ccccc2)cc1 95941617 ZFNCRCFVKGAMDD-KRWDZBQOSA-N 289.338 2.885 30 40 CFEB N/C(=N\c1ccccc1)N/N=C/c1c[nH]c2ccccc12 35977690 FBKVMQMNXKDTOJ-YBFXNURJSA-N 277.331 2.738 30 40 CFEB C=CCOc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 73049451 DIEQOTDNCSAINK-CYBMUJFWSA-N 274.364 2.532 30 40 CFEB Cc1ccc(C(C)C)cc1COc1nn(C)c(N)c1C#N 225829541 GYOSXLLLYYCVEY-UHFFFAOYSA-N 284.363 2.885 30 40 CFEB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(C#N)cc2)C1 40118846 IENYLHWCCSWGCY-GJZGRUSLSA-N 299.418 2.656 30 40 CFEB CO[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 91101277 HOIRCONGGWXRKE-ZDUSSCGKSA-N 294.354 2.876 30 40 CFEB N#CC1=NC(c2ccccc2)=CN(c2ccccc2)N1 5602600 WZAMUCFMHCRGIV-UHFFFAOYSA-N 260.300 2.932 30 40 CFEB C/C(=N/NC(=S)N1CCCCCC1)c1ccccn1 17122354 LYIUREYWAKPINL-VBKFSLOCSA-N 276.409 2.556 30 40 CFEB N/C(=N/Cc1ccco1)SCCOc1ccccc1 19672896 QRSLSACGYYLSQO-UHFFFAOYSA-N 276.361 2.907 30 40 CFEB N#Cc1cnn2c1N=C1CCCC(O)=C1[C@H]2c1cccnc1 102841231 IWBCACFOCSVBOP-OAHLLOKOSA-N 291.314 2.821 30 40 CFEB C=CCOC[C@H](O)CSc1nc2ccccc2s1 23115236 PRDWVBHXUHCRJB-JTQLQIEISA-N 281.402 2.952 30 40 CFEB Cc1cc(C)nc(N/N=C/c2ccc(N(C)C)cc2)n1 12446214 BORDQVWXWCXODE-MHWRWJLKSA-N 269.352 2.605 30 40 CFEB C[C@H](C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[N+](C)(C)C 4064218 MTKDXEQLJAGGHQ-JXFSHQFZSA-N 268.421 2.839 30 40 CFEB COc1ccc(C(=O)NCC#Cc2ccccc2)cc1F 12736369 PENAMFFCAKLMJJ-UHFFFAOYSA-N 283.302 2.616 30 40 CFEB Cc1nc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 67350446 OPERHSZCWYYBPE-HNNXBMFYSA-N 282.347 2.629 30 40 CFEB C=CCNc1ncc(-c2cc(C)no2)c(C2CC2)n1 72398185 NEZSNLYUANBWDI-UHFFFAOYSA-N 256.309 2.915 30 40 CFEB C=CCNc1nnc(SC[C@H]2CCCCO2)s1 39978303 LMNMVFNCLUGOHA-SECBINFHSA-N 271.411 2.797 30 40 CFEB N#CCCN(CCC#N)C(=O)/C=C/c1c(F)cccc1F 58291121 PHTSZRGJKCHIMR-VOTSOKGWSA-N 289.285 2.634 30 40 CFEB C[C@@H]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1O 96501555 DEKIOFMAZRWSGE-RNCFNFMXSA-N 295.180 2.528 30 40 CFEB NC(=S)N/N=C/c1cc(-c2ccccc2)oc1Cl 3159450 QPOXFZKMXOPGQU-VIZOYTHASA-N 279.752 2.767 30 40 CFEB COC1=CC(=O)C([C@H](C)c2ccc(OC)cc2)=C/C1=N\O 17131256 MHOMMLPZUKOGQB-SBGIHMHXSA-N 287.315 2.668 30 40 CFEB C=CCN1CCC[C@]2(CC1)CNCc1ccccc1O2 19015192 BFVGXAHDYQXYDW-KRWDZBQOSA-N 272.392 2.579 30 40 CFEB C=CCNC(=O)CCn1c(C(C)C)cc2cccnc21 19453075 AWYBACFKMDKHPL-UHFFFAOYSA-N 271.364 2.852 30 40 CFEB Cc1cccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 5547902 PFUGFPMBLKDSCY-UHFFFAOYSA-N 281.271 2.976 30 40 CFEB Cc1csc(SCC(=O)NC2(C#N)CCCCC2)n1 7196007 DLODWZZGKZFESY-UHFFFAOYSA-N 295.433 2.886 30 40 CFEB C/C(Cl)=N\OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 100228525 SXKGICHRSILUQU-WLRTZDKTSA-N 275.623 2.855 30 40 CFEB CCCOc1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1 2237365281 WPBZHGYNKHDUSS-UHFFFAOYSA-N 292.184 2.783 30 40 CFEB C[C@H]1CN(c2oc(-c3ccccc3)nc2C#N)C[C@H](C)O1 65772 PPCZMYTULUDURS-RYUDHWBXSA-N 283.331 2.827 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C/c2cccs2)cc1 66185 QTWZZLGYRFTEMV-UKTHLTGXSA-N 265.359 2.864 30 40 CFEB CCCC(C#N)(CCC)NC(=O)C[C@@H]1CCCO1 84740366 PVQYSPXAOMTWDD-LBPRGKRZSA-N 252.358 2.534 30 40 CFEB C#Cc1cccc(NCC(=O)Nc2ccc(C(C)=O)cc2)c1 23901791 PYPBIDHAXWWOLJ-UHFFFAOYSA-N 292.338 2.921 30 40 CFEB NC(=O)c1ccccc1N/C=C1\CCCCCC1=O 107847140 KGOUCWKJJAVDNG-ZHACJKMWSA-N 258.321 2.615 30 40 CFEB CN(C)C(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 9218514 MRHHNHUKMUTCHF-UHFFFAOYSA-N 279.343 2.872 30 40 CFEB Cc1ccccc1-c1nnn(Cc2ccc(C#N)cc2)n1 5169568 PVUSZKXDTIQALL-UHFFFAOYSA-N 275.315 2.569 30 40 CFEB C=CCNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 14094437 GGZXUKUXNXLWPE-UHFFFAOYSA-N 285.343 2.645 30 40 CFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC#N 96416955 ZKEXAEZYZYFYPQ-UHFFFAOYSA-N 298.264 2.866 30 40 CFEB C[C@H](Oc1cccc(F)c1C(N)=O)c1ccc(C#N)cc1 194668073 HUFVUPKBJLODTN-JTQLQIEISA-N 284.290 2.936 30 40 CFEB Cc1cc(C(=O)OCC2(CC#N)CC2)ccc1[N+](=O)[O-] 96442776 OIZWCXVIDSCZOM-UHFFFAOYSA-N 274.276 2.754 30 40 CFEB C=CCO[C@H]1CO[C@]2(CCCN(Cc3ccco3)C2)C1 96048180 UQMAUUUBYRDXCQ-HZPDHXFCSA-N 277.364 2.606 30 40 CFEB CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F 1565660591 ZWEZQJCJOMYJJZ-UHFFFAOYSA-N 256.117 2.773 30 40 CFEB CCc1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1 571368 DLPNRFZPKJELII-YBFXNURJSA-N 282.343 2.864 30 40 CFEB O=C(C#Cc1ccccc1)NC/C=C\c1ccccc1 17355011 DLPPTWSFKHLIFX-GHXNOFRVSA-N 261.324 2.868 30 40 CFEB N#Cc1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 24687099 FGMPHGYAVQZMKF-UHFFFAOYSA-N 290.388 2.654 30 40 CFEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 40134932 KCNHKIAHOGHMFW-CQSZACIVSA-N 294.757 2.905 30 40 CFEB CCCC1(CCC)NC(=O)N(CCC(C)(C)C#N)C1=O 78917894 HAUWLWJBCHXEJD-UHFFFAOYSA-N 279.384 2.817 30 40 CFEB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC#N)C2 4365277 SUHTUPXNWQUHMA-FMKPAKJESA-N 265.421 2.818 30 40 CFEB CNC(=S)NN=C1CCC(c2ccccc2)CC1 7944318 XARPMHRCZLMVFL-UHFFFAOYSA-N 261.394 2.794 30 40 CFEB COc1ccc([C@H]2CCN(c3ccc(C#N)cn3)C2)cc1 58217457 YULSQWQJUVOETA-HNNXBMFYSA-N 279.343 2.956 30 40 CFEB C#CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 2381079 OIGRCXTUFHHPIU-SECBINFHSA-N 253.754 2.570 30 40 CFEB C[C@@H](Oc1cccc(C(C)(C)C)c1)/C(O)=N/S(C)(=O)=O 48486729 UQOVMNUZGZZNEU-SNVBAGLBSA-N 299.392 2.668 30 40 CFEB N#CCCN(CCC#N)C(=O)c1cc2ccccc2o1 6543311 GAAARLYFRSUKEH-UHFFFAOYSA-N 267.288 2.702 30 40 CFEB c1ccc(/N=N/C(=N/Nc2nnn[nH]2)c2ccccc2)cc1 4728889 CMGSWPMEQNAYSM-HPHQGHHHSA-N 292.306 2.757 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)CCCOc1cccc(F)c1 69846354 YBOZXAXJRFABIW-LBPRGKRZSA-N 278.327 2.745 30 40 CFEB C=CCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C1 76017035 ZKXUPUWORCOJLV-GFCCVEGCSA-N 254.374 2.552 30 40 CFEB C[C@@H]1CO[C@@]2(CCCN(c3ccc(C#N)cc3)C2)C1 96073325 UQACDZGGEIGPOB-BBRMVZONSA-N 256.349 2.954 30 40 CFEB COc1cc(C#CCO[C@@H]2CCCCO2)cc(OC)c1 95631999 PFGOLBQLIQJULD-MRXNPFEDSA-N 276.332 2.599 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1nc(CC)c(C)s1 58086693 QIZHMHZMZYQEKY-MRVPVSSYSA-N 254.355 2.544 30 40 CFEB Cc1cc(=O)[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1 15587610 VREBPIOGQMKVKV-GIDUJCDVSA-N 297.145 2.831 30 40 CFEB N#Cc1ccccc1NC(=O)CNc1ccc(F)cc1 10023937 FTTKUPQPADKEHB-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)s1 103503495 YENKMNWBXMLQFI-CYBMUJFWSA-N 298.367 2.695 30 40 CFEB CCN1CCN(c2oc(-c3ccc(C)cc3)nc2C#N)CC1 71075 SRUQLPOCAJZASO-UHFFFAOYSA-N 296.374 2.664 30 40 CFEB CNC(=O)c1ccc(CNc2cccc(F)c2C#N)cc1 26709390 WYYKSTRCPUBOTC-UHFFFAOYSA-N 283.306 2.669 30 40 CFEB C=CCOCCNC(=O)c1cc(Cl)nc2ccccc12 95468452 AEPTYYUQXLCBFK-UHFFFAOYSA-N 290.750 2.821 30 40 CFEB Cc1nc(SCC(=O)N2CCCC2)c(C#N)c(C)c1C 5172676 SIGHISGGHXHABQ-UHFFFAOYSA-N 289.404 2.593 30 40 CFEB C=CC[C@H]1S/C(=N\N=C/c2ccccc2Cl)NC1=O 19791769 HKNRHFLCEZOVKL-SHLUWWQESA-N 293.779 2.838 30 40 CFEB COc1cc(C=O)c(Br)cc1OCCCC#N 15009423 OVEABZHNDNOLCC-UHFFFAOYSA-N 298.136 2.953 30 40 CFEB N#Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 7942871 VXKKHMAPWWRILU-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB COc1cccc(Cl)c1C/C(O)=N/c1nc(C)n[nH]1 97378967 VBNPUEBVYXWXPB-UHFFFAOYSA-N 280.715 2.606 30 40 CFEB CCSc1ccc(C(=O)N(C)[C@H](C)CC#N)cn1 69847689 HAEWBUJOFKVLHI-SNVBAGLBSA-N 263.366 2.568 30 40 CFEB COC(C)(C)CCOc1c(N)cc(C#N)n1CC(C)C 225877984 CSOQVPDPBMPWKB-UHFFFAOYSA-N 279.384 2.792 30 40 CFEB C=CCNC(=O)NC[C@H](OC)c1cccc(Cl)c1 80630526 FIGIOSUMBLQAHK-LBPRGKRZSA-N 268.744 2.513 30 40 CFEB CCCc1nc(S[C@H](C)CC)nc(N)c1C#N 225891819 ZAKFRFNGPJGSCM-MRVPVSSYSA-N 250.371 2.774 30 40 CFEB CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CC 642814348 FQOCGXFJRVPGSH-UHFFFAOYSA-N 276.185 2.947 30 40 CFEB CN(C)c1ccc(N=C2C=CC(=[N+](C)C)C=C2)cc1 95858579 XLERXVGZMODBTM-UHFFFAOYSA-N 254.357 2.664 30 40 CFEB CN(C)c1ccc(/C=[N+](\[O-])[C@]2(C)CCCCC2=O)cc1 2289183 OJPATVCZNXOGKG-UWCCDQBKSA-N 274.364 2.584 30 40 CFEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccnc2)cc1 6032911 QGWGZNRDIVJXLV-YVLHZVERSA-N 295.371 2.819 30 40 CFEB CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 14258401 JJYAVXYJCOFNMX-UHFFFAOYSA-N 297.289 2.908 30 40 CFEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(O)n[nH]c1N2 18195429 XVNIFNKBDKTPRL-GFCCVEGCSA-N 281.315 2.680 30 40 CFEB C=C(C)CN(CC)C(=O)C1=NO[C@H](c2ccccc2)C1 54286753 ANLADWXEHYNJFD-HNNXBMFYSA-N 272.348 2.929 30 40 CFEB N#CCSc1nnc(C2CC2)n1-c1ccccc1 3520135 IOBGGECPXUBQKM-UHFFFAOYSA-N 256.334 2.760 30 40 CFEB Cc1ccc(/C(=C/C(=O)C(F)(F)F)NN(C)C)cc1 101490860 DPLFJOFTMVDGHW-FLIBITNWSA-N 272.270 2.534 30 40 CFEB CC1=NOC(=O)/C1=C/c1cccc(Br)c1 100949909 RSTVYWDIZPXWMQ-UXBLZVDNSA-N 266.094 2.765 30 40 CFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccncc1 60100904 TXRQOSOHQDEMBM-UHFFFAOYSA-N 264.328 2.666 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCc2ccccc21 63094580 YWGCNLDPMRUGIB-SWLSCSKDSA-N 256.349 2.867 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccsc1 4986666 UQLJFTAAEUNORT-JTQLQIEISA-N 275.373 2.995 30 40 CFEB CC/N=C(/NCC)SCC(=O)Nc1ccc(C)cc1C 7984687 CXJQUXJCRMTREX-UHFFFAOYSA-N 293.436 2.961 30 40 CFEB CC(=O)Nc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1 97112642 MGUNEFQMTVXUCC-LCYFTJDESA-N 295.342 2.591 30 40 CFEB C#Cc1cccc(NCc2c(CC)nn(C)c2OC)c1 95944586 BSUWYUFOFPOCPK-UHFFFAOYSA-N 269.348 2.585 30 40 CFEB O=[N+]([O-])c1cc(/C=N/c2ccc(O)cc2)ccc1O 408965746 XMYOLWVJZBCUKK-RIYZIHGNSA-N 258.233 2.757 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@@H](CS)C1 71485019 ZJZDNKRSRWNIEQ-CYBMUJFWSA-N 265.378 2.965 30 40 CFEB N#Cc1cnc(N)nc1Cc1ccc(Cl)cc1Cl 223698455 RYYXCSCZYUIZKF-UHFFFAOYSA-N 279.130 2.828 30 40 CFEB C#CC[C@@H](OC(=O)c1cnn(C(C)(C)C)c1)C1CC1 96456368 ZSSCRAOKIYPLDA-CYBMUJFWSA-N 260.337 2.597 30 40 CFEB N#Cc1cc(N2CCC(C(F)(F)F)CC2)ccn1 88421962 WDRMXHGLXPZMTO-UHFFFAOYSA-N 255.243 2.732 30 40 CFEB Cc1cc(NC(=O)/C=C/c2cccc(C#N)c2)ccn1 72281112 LXSMTSWTEBELGX-AATRIKPKSA-N 263.300 2.914 30 40 CFEB Cc1ccc(CCCC(=O)NC2(C#N)CCC2)s1 95409004 USCGKECEWKAHLI-UHFFFAOYSA-N 262.378 2.942 30 40 CFEB CCOC(=O)/C(=C\c1cccc(Br)c1)C(C)=O 5723031 LHFZEHPFBQEJLR-WQLSENKSSA-N 297.148 2.985 30 40 CFEB COc1cccc(CC(=O)Nc2cccc(C#N)c2)c1 2622444 GTBHNTRLHUEYSL-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(C)cc2C)C(=O)O1 102500366 KOVDDKZXZITNQO-FYCOFBDGSA-N 284.311 2.532 30 40 CFEB COc1ccc(/C=C/C(=O)c2nccnc2C)cc1 78502960 JKTHDHPULWQGSL-VMPITWQZSA-N 254.289 2.690 30 40 CFEB C#Cc1ccc(C23OCC(CCC)(CO2)CO3)cc1 2559942 HFUCNMPQEAYQDJ-UHFFFAOYSA-N 258.317 2.642 30 40 CFEB N#Cc1cccc(CN2CC[C@@H](CNc3ccccn3)C2)c1 65452558 XZQLKABVOMPZMG-KRWDZBQOSA-N 292.386 2.887 30 40 CFEB N#Cc1cc(NC[C@@H]2CSCCS2)ccc1[N+](=O)[O-] 97145060 ANLBWFHFWJMBDT-LLVKDONJSA-N 295.389 2.727 30 40 CFEB CCOc1cc(/C=C/C(=O)c2cnn(CC)c2)ccc1O 65999885 GPRGFJJUQQXTSO-FNORWQNLSA-N 286.331 2.903 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 95947394 GJTKMENOJFIPKP-SJKOYZFVSA-N 293.322 2.835 30 40 CFEB C#CCOc1cc(F)ccc1NC(=O)Cc1ccccc1O 76088055 WVEPXAORCHRRRP-UHFFFAOYSA-N 299.301 2.725 30 40 CFEB CCNC(=S)N/N=C/c1cccn1-c1cccc(C)c1 33749438 CZMBOTFVLCUACI-GZTJUZNOSA-N 286.404 2.604 30 40 CFEB Cc1ccc(-n2ncc(C#N)c2Br)cc1 72190422 NUAJZUMLLCDVAQ-UHFFFAOYSA-N 262.110 2.815 30 40 CFEB C=CCNC(=S)Nc1cc(C(=O)O)ccc1Cl 216928463 FCVDRGJOSVOGJL-UHFFFAOYSA-N 270.741 2.511 30 40 CFEB N#C[C@H](NC(=O)c1ccc(F)c(Br)c1)C1CC1 95962116 IPSQNMLTBSWWLX-NSHDSACASA-N 297.127 2.620 30 40 CFEB CC[C@]1(C)NC(=O)N(/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)C1=O 255961450 GLDQAVMCVBXSND-XZZQHGLGSA-N 289.379 2.685 30 40 CFEB N#Cc1ccc(O[C@H]2CCCC[C@H]2O)c(Cl)c1 42410906 VGBAQBOEHPPUEB-YPMHNXCESA-N 251.713 2.894 30 40 CFEB CN(CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 54339282 PRIAGQZDFWAQPW-QWHCGFSZSA-N 285.174 2.797 30 40 CFEB CCCc1cc(Nc2ccccc2C#N)n2ncnc2n1 4897954 LCLOACUYDUNSNF-UHFFFAOYSA-N 278.319 2.692 30 40 CFEB N#Cc1ccc(NC[C@@H]2CCC[C@@H]2O)cc1Cl 72298290 LBZYLOBIZMBZCN-GWCFXTLKSA-N 250.729 2.785 30 40 CFEB C[C@H](NCc1cn2ccccc2c1C#N)[C@@H](C)n1cccn1 72269925 DAVLGCZURGFUOA-UONOGXRCSA-N 293.374 2.747 30 40 CFEB N#Cc1c(CSc2nncs2)cn2ccccc12 11676280 HEOYYSOONSGNAV-UHFFFAOYSA-N 272.358 2.955 30 40 CFEB Cc1cccc2c1N(CCOc1ccccc1)C(=O)/C2=N\O 101101749 ROKZYLRYQBWNLR-SDXDJHTJSA-N 296.326 2.599 30 40 CFEB Cc1cc(NCCCC(C)(C)C#N)ccc1-n1cnnn1 95410368 YVPFQTLUIBGXIP-UHFFFAOYSA-N 284.367 2.713 30 40 CFEB Cc1cccc(N(CCC(N)=O)Cc2ccc(C#N)cc2)c1 69416454 DLZATAVVLVTIQA-UHFFFAOYSA-N 293.370 2.749 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@H]2CCOc3ccccc32)c1 95443678 OGHJUXZMDNRSKE-ZDUSSCGKSA-N 294.310 2.769 30 40 CFEB CN(CCC#N)c1ccc(-c2nc3ccncc3[nH]2)cc1 95976030 OASUUSCXUUOAMT-UHFFFAOYSA-N 277.331 2.975 30 40 CFEB N#Cc1cccc(CN2CCC[C@H]2c2ccc(O)nn2)c1F 528796039 UGDHZKKKUHXDTO-AWEZNQCLSA-N 298.321 2.530 30 40 CFEB Cc1cc(C)c(OC(C)(C)C(=O)NO)c(Cl)c1 226290837 LUKFREKUSCWWTB-UHFFFAOYSA-N 257.717 2.620 30 40 CFEB Cc1ccc(-c2ccc(/C=C/C(=O)NO)o2)c([N+](=O)[O-])c1 226290494 TZLVXLOTWUNHMO-QPJJXVBHSA-N 288.259 2.682 30 40 CFEB COc1cc(C#N)cc(N)c1OCc1ccccc1F 223706285 GSLXKWDWPSSYLZ-UHFFFAOYSA-N 272.279 2.867 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccccc1OC 225862575 JHQLBELWXWMYAZ-UHFFFAOYSA-N 285.347 2.592 30 40 CFEB C=CCN(C[C@@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 191056532 JBSFWONWUVKEQT-ARFHVFGLSA-N 297.464 2.654 30 40 CFEB N#Cc1cc(N)ccc1/C=C/c1ccc(N)cc1C#N 255188706 LBPVPZVKGRGBJE-OWOJBTEDSA-N 260.300 2.765 30 40 CFEB CS(=O)(=O)/N=C(\O)c1sccc1-c1ccc(F)cc1 58308068 QDZIOEQGLYGIMX-UHFFFAOYSA-N 299.348 2.818 30 40 CFEB CCC(=O)/C(=C/c1ccccc1)C(=O)[C@H](C)CN(C)C 1589330 VTXHZGOQYNVMSB-LKKYZFDUSA-N 273.376 2.816 30 40 CFEB CC(C)c1ccc(/C(=N/NC(N)=S)C2CC2)cc1 5458369 IJOPOXIHEDVJDV-SSZFMOIBSA-N 261.394 2.757 30 40 CFEB CO[C@@H]1C[C@@H]2C[C@@H]1[C@H](OS(=O)(=O)c1ccc(C)cc1)C2 100401340 YEYBRTMMOJKDHE-SPWCGHHHSA-N 296.388 2.514 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 48274666 XITDCXIGAKIJTQ-VFNNOXKTSA-N 294.358 2.504 30 40 CFEB N#CCN(C(=O)c1cc(F)ccc1Br)C1CC1 58306214 HMZOVFZEORREIY-UHFFFAOYSA-N 297.127 2.716 30 40 CFEB CC1=C(C)/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)C=CC1=O 101028044 OAPDTMFSNCJXMS-SSZFMOIBSA-N 284.271 2.651 30 40 CFEB CN(Cc1ccsc1)C(=O)NCC#Cc1ccccc1 45610843 WTOLLZYUSLVLTN-UHFFFAOYSA-N 284.384 2.941 30 40 CFEB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O 2619922 NCRYVUUVONMELX-PXAZEXFGSA-N 297.358 2.559 30 40 CFEB C=C(C)CSc1nc(C)c(CC(C)C)c(=O)[nH]1 21151138 CESWOMMNVROECJ-UHFFFAOYSA-N 252.383 2.945 30 40 CFEB C/C(=N\OCC(=O)Nc1nccs1)c1cccs1 4863451 NZQOACGVDHSAHY-RIYZIHGNSA-N 281.362 2.584 30 40 CFEB Fc1ccc(/C=N/Nc2ccc(Cl)nn2)c(F)c1 4976982 LJIXRKNEIDTAMT-GIDUJCDVSA-N 268.654 2.854 30 40 CFEB Cc1cc(C=NO)c(C)n1-c1ccccc1C(=O)O 409203219 VVPYDYMPBJSIQK-UHFFFAOYSA-N 258.277 2.600 30 40 CFEB CSc1ccc(C#N)cc1NC(=O)NCCCF 95971228 LJGRYBCEAYWHPD-UHFFFAOYSA-N 267.329 2.761 30 40 CFEB O=C(C[n+]1cccc2cccc(O)c21)c1ccc(F)cc1 72136534 SQJYGFFMMNTCFI-UHFFFAOYSA-O 282.294 2.855 30 40 CFEB Cc1cccc(-c2csc3c(=O)n(CC#N)cnc23)c1 44166740 CDHOFJVEJBBRLV-UHFFFAOYSA-N 281.340 2.957 30 40 CFEB C[C@@H](OC(=O)c1ccc(-n2ccnc2)cc1)C(C)(C)C#N 97231071 RFZCCOZSFAWJRR-GFCCVEGCSA-N 283.331 2.967 30 40 CFEB N#Cc1ccc(SCC(=O)NCc2ccco2)c(F)c1 96422159 DMDGXAGQTIVNHH-UHFFFAOYSA-N 290.319 2.699 30 40 CFEB CN(CCC#N)C(=O)CSc1ccc(F)c(Cl)c1 40461285 CCULNBDDYRSFPM-UHFFFAOYSA-N 286.759 2.943 30 40 CFEB COc1cc(Br)ccc1C(=O)CC#N 169040540 RUUSSWXZZROTGT-UHFFFAOYSA-N 254.083 2.554 30 40 CFEB O=[N+]([O-])C(/C=N\Nc1ccccc1)/C=N\Nc1ccccc1 5824145 IKQYBSBIBFKSHM-LSQIQBGYSA-N 297.318 2.828 30 40 CFEB C=CCn1c(C)cs/c1=N\c1ccc(C(=O)O)cc1 12590080 ILQDDPZTNZNHRH-PFONDFGASA-N 274.345 2.975 30 40 CFEB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 7375698 VNMXXFQZWUKOGI-UHFFFAOYSA-N 292.404 2.902 30 40 CFEB C[C@@H](Cc1ccco1)NC(=O)c1cccc(C#N)c1 33207176 DXBJLWUBYCXGBQ-NSHDSACASA-N 254.289 2.512 30 40 CFEB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC#N)N2C1=O 2965416 COHYMRLCKRCOHK-GFCCVEGCSA-N 298.371 2.558 30 40 CFEB COc1ccc(N/N=C(/NNc2ccccc2)C(C)=O)cc1 4567749 IDCGSQPHGIMYST-UHFFFAOYSA-N 298.346 2.626 30 40 CFEB N#Cc1cccnc1S[C@@H](C(=O)O)c1ccccc1 20120574 XHHDJSKTZUNBNV-GFCCVEGCSA-N 270.313 2.871 30 40 CFEB N#Cc1ccccc1Cn1c(=O)oc2ccccc21 331438 FQKIGNGGMDBOQL-UHFFFAOYSA-N 250.257 2.514 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CN(C)CC1CCCCC1 32769939 IGBQHMPLSMWDJE-INIZCTEOSA-N 279.428 2.553 30 40 CFEB N#C[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1 548599 GBAJCPCDZBGOEA-NXEZZACHSA-N 274.370 2.814 30 40 CFEB C=C[C@@H]1CCC[N+]1(CC(=O)OCC)Cc1ccccc1 1635364 JDANAFGMKSPXRI-PYUWXLGESA-N 274.384 2.915 30 40 CFEB C=CCn1c(SCC#N)nc2sc(C)c(C)c2c1=O 1746286 WXJNPSYZVBQEIL-UHFFFAOYSA-N 291.401 2.877 30 40 CFEB C[C@@H]1CCCCN1c1c([N+](=O)[O-])cc(C#N)cc1[N+](=O)[O-] 26508682 NQMDNQGYSWIHAX-SECBINFHSA-N 290.279 2.753 30 40 CFEB COC(=O)c1ccc(CN(CCC#N)Cc2ccco2)o1 95964855 JTRDPSCCWCIFTB-UHFFFAOYSA-N 288.303 2.575 30 40 CFEB CCN(C(=O)CCC(=O)OC)c1ccc(C#N)c(Cl)c1 91206109 XXEXXYRCHHAEEJ-UHFFFAOYSA-N 294.738 2.518 30 40 CFEB N#Cc1cccc(C#N)c1NCCOc1ccccc1 8855480 XSQQBRZXRNDVHK-UHFFFAOYSA-N 263.300 2.921 30 40 CFEB Cc1[nH]/c(=N\N=C/c2ccccc2[N+](=O)[O-])sc1C 31904223 IBFABCHVMNXUST-QPEQYQDCSA-N 276.321 2.536 30 40 CFEB CCOC(=O)c1ccc(/C=C/c2ccncc2C#N)o1 390834255 VGJLKFCWDQGBGD-ONEGZZNKSA-N 268.272 2.893 30 40 CFEB CCc1nnsc1C(=O)Nc1sc(C)c(C)c1C#N 61047314 ONPAKLHZVLOGRJ-UHFFFAOYSA-N 292.389 2.903 30 40 CFEB CCCCCCCCC/C=C/[C@H](O)[C@@H](N)C(=O)OCC 97977919 KLGSSMZKPJPOGR-LTNMDHOVSA-N 285.428 2.935 30 40 CFEB in-vitro C[C@@H]1CN(C)[C@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 5027503 BBOGVVJGROGHRN-OYPIUGFMSA-N 278.327 2.699 30 40 CFEB CN1CCN([C@H]2CCC=CCCC=CCC/C2=N/O)CC1 1559628093 DXBHKGBDHJFKEM-DYHODCMYSA-N 291.439 2.899 30 40 CFEB CSc1ccc(/C=C2\S/C(=N/C(C)=O)NC2=O)cc1 18255062 JTUGMKTVRCLFTO-XFFZJAGNSA-N 292.385 2.515 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1C#N 3445258 COIXUOIGLXYUHQ-TZMCWYRMSA-N 272.348 2.632 30 40 CFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccs1 70492 LVTVMSGQULSSKH-VAENJDROSA-N 286.447 2.746 30 40 CFEB Cc1cc(C)c2nc(-n3ncc(C#N)c3N)cc(C)c2c1 87178 LCNUABNLOYPLRL-UHFFFAOYSA-N 277.331 2.800 30 40 CFEB N#Cc1cccnc1N1CCN(c2ccccc2Cl)CC1 20298812 DQUINUDAQZARIG-UHFFFAOYSA-N 298.777 2.933 30 40 CFEB Cc1ccc2c(c1)/C(=N\O)C(=O)N2CCOc1ccccc1 100792413 YSEXRQFWGOAFSW-FBMGVBCBSA-N 296.326 2.599 30 40 CFEB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccccc1C#N 102444485 QNMCZQYMRXCADO-VNHYZAJKSA-N 286.375 2.878 30 40 CFEB CC(=O)c1ccccc1NC(=O)C1(C#N)CCCC1 52737108 FMNBVCZSMZORBD-UHFFFAOYSA-N 256.305 2.912 30 40 CFEB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@H](C)CCC[C@@]1(C)O[C@H]21 4104807 IPZPPUJQQJARAE-VXZZIDTMSA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro O=C1C=C(c2ccccc2)[C@H](c2ccccc2)[C@H]1O 100596615 MLZONHYJHOUBOQ-IRXDYDNUSA-N 250.297 2.797 30 40 CFEB COc1cccc(CNc2ccc(N)cc2C#N)c1 20134914 CDOFIOWCGAUQHA-UHFFFAOYSA-N 253.305 2.761 30 40 CFEB COc1ccc2c(c1)CCN2c1nnc(C)c(C)c1C#N 58544167 PCNDESOGSCHMMF-UHFFFAOYSA-N 280.331 2.668 30 40 CFEB N#Cc1ccc(NC[C@H]2CCC[C@H]2O)cc1Cl 72298293 LBZYLOBIZMBZCN-ZWNOBZJWSA-N 250.729 2.785 30 40 CFEB N#CCC[C@H](C#N)Cn1cnc2c(oc3ccccc32)c1=O 9254149 WIOKMIBUFBNNRB-LLVKDONJSA-N 292.298 2.586 30 40 CFEB Cc1nnc(SCCC#N)n1CCc1cccs1 67758330 AWRMGXQWOIJFRZ-UHFFFAOYSA-N 278.406 2.897 30 40 CFEB C[C@H](C#N)OC(=O)COc1ccc2ccccc2c1 7707215 CFJLWKFVNMKKFU-LLVKDONJSA-N 255.273 2.674 30 40 CFEB C=CCN(CC=C)C(=O)c1cccc(Br)n1 95450548 HTMMTOYMVOLPSD-UHFFFAOYSA-N 281.153 2.658 30 40 CFEB C#CCNc1cc(C(=O)N2CCCC2)ccc1Cl 85277292 MIUCHFJUBDBCOQ-UHFFFAOYSA-N 262.740 2.621 30 40 CFEB N#C[C@@H]1SC2=C(S[C@@H]1C#N)C(=O)c1ccccc1C2=O 35954007 CEPFNUJADGSEQU-AOOOYVTPSA-N 298.348 2.542 30 40 CFEB C#CCCNC(=O)Cc1ccc(SC(C)C)cc1 70640778 UTIWAVBEPHHYSK-UHFFFAOYSA-N 261.390 2.869 30 40 CFEB C=CCc1ccccc1OCc1ncc(C(=O)O)c(C)n1 217397868 XXQQOJKQSCXKQJ-UHFFFAOYSA-N 284.315 2.791 30 40 CFEB O=S(=O)(CC1CC1)/N=C(\O)[C@H]1CCCc2ccccc21 73539148 YVZMDOYVBUSBHN-AWEZNQCLSA-N 293.388 2.803 30 40 CFEB COCCn1c(C#N)cc(N)c1Sc1ccccc1 225888074 QTWWQJYEQSHPLP-UHFFFAOYSA-N 273.361 2.740 30 40 CFEB C[C@H](C#N)CNC(=O)/C=C/c1cc(Br)cs1 80183053 FCIFVPAQHFMGBC-UFUPEUMYSA-N 299.193 2.800 30 40 CFEB CCCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084868 KZJPRYGAJXJPHI-ZROIWOOFSA-N 273.119 2.928 30 40 CFEB COc1ccccc1/N=N/c1c(O)[nH]c(=O)c(C#N)c1C 85959525 XKPUAOXWDKJLIA-ISLYRVAYSA-N 284.275 2.685 30 40 CFEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 222285471 QIESSCZYAMITEQ-WLDGXGNRSA-N 294.354 2.526 30 40 CFEB CCOC(=O)c1c(C#N)ccn1Cc1ccccc1 90463885 DVJMQRJMILTAAT-UHFFFAOYSA-N 254.289 2.585 30 40 CFEB COc1cccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c1 95095948 CZQQVBYEPDZIKZ-GHMZBOCLSA-N 262.227 2.714 30 40 CFEB Cc1nn(-c2ccc(F)cc2Br)c(N)c1C#N 604941569 GIJSSLSFQDBMQP-UHFFFAOYSA-N 295.115 2.536 30 40 CFEB Cc1ccc(C#N)c(N2CCN(c3ccccc3F)CC2)n1 194309765 SVJXQTURYBJNMX-UHFFFAOYSA-N 296.349 2.727 30 40 CFEB C=C(Br)CN[C@H](CCO)c1ccccc1 96490936 YAYDPPKRAZEKMD-GFCCVEGCSA-N 270.170 2.608 30 40 CFEB N#Cc1cc(N[C@H]2CCC[C@H]2O)ccc1C(F)(F)F 97104676 CHBRDAGUUDHDEU-NWDGAFQWSA-N 270.254 2.902 30 40 CFEB CCC/C(=N\OCC)C1=C(N)CC(C)(C)CC1=O 19204912 HEZBPYRLRXBESU-LFIBNONCSA-N 252.358 2.781 30 40 CFEB C(=N/Nc1ccccc1)\c1cnn(-c2ccccc2)n1 5603830 BISHRYUMFMJMIU-LFIBNONCSA-N 263.304 2.713 30 40 CFEB C#CCn1/c(=N/C(=O)CC)sc2cccc(OCC)c21 100910278 PNMUIWHIIDHWRK-NXVVXOECSA-N 288.372 2.572 30 40 CFEB CCOc1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1 244764 NNGWYUSCVVHGAR-WOJGMQOQSA-N 268.316 2.935 30 40 CFEB CCCCSc1nc(N)c(C(=O)OCC)cc1C#N 32882199 AKSPUQOBSDPIKJ-UHFFFAOYSA-N 279.365 2.604 30 40 CFEB CC(C)(C)/N=C1\Nc2ccccc2NC12CCNCC2 32918760 XSZONDARYJTXFE-UHFFFAOYSA-N 272.396 2.843 30 40 CFEB C=CC[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 2042316 ATYMEYHHVDIKCH-LBPRGKRZSA-N 250.294 2.884 30 40 CFEB C[C@H](NC(=O)COc1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 106538401 DULQILFMXWOMET-GZIXRCOHSA-N 298.386 2.878 30 40 CFEB O=C(C(C(=O)c1ccccc1)=C1NC=CN1)c1ccccc1 38165701 LNDUBOWGIFKIAN-UHFFFAOYSA-N 290.322 2.628 30 40 CFEB N#Cc1ccc(N[C@@H]2CCCCNC2=O)cc1C(F)(F)F 65567082 RJGCKIQFVSVAIE-GFCCVEGCSA-N 297.280 2.658 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(CO)c1 7981408 YYPXIQGQMPVXAG-UHFFFAOYSA-N 269.260 2.702 30 40 CFEB O/N=C\c1cc(Br)cc(Br)c1O 98092172 LRNICNSWROUZCF-KMKOMSMNSA-N 294.930 2.725 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)C 8877124 HTXDZMBJUQRSRC-UHFFFAOYSA-N 271.320 2.636 30 40 CFEB CN(CCC#N)c1ccc([N+](=O)[O-])c(OC(F)F)c1 89340313 XRKVAFDKDKPHNA-UHFFFAOYSA-N 271.223 2.546 30 40 CFEB N#C[C@H]1CC[C@@H](OC(=O)Cc2ccc(F)c(F)c2)C1 89768314 DMWXBPFYQVLAMA-WDEREUQCSA-N 265.259 2.743 30 40 CFEB O/C(CN1CCCC1)=N\c1nnc(-c2cccs2)s1 33312391 LCODLXLQGOLUAW-UHFFFAOYSA-N 294.405 2.950 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1ccc(-n2cccn2)cc1 97377716 KUKXXYGMIAJYBD-LBPRGKRZSA-N 283.335 2.686 30 40 CFEB Cc1cc(OC(F)F)c(C(=O)N[C@H](C)CC#N)s1 95397174 RAILMXVOSXIXAM-ZCFIWIBFSA-N 274.292 2.690 30 40 CFEB CCOC(=O)c1ccc([N+](=O)[O-])cc1NN=C(C)C 255187901 HLMUQLYENCBBII-UHFFFAOYSA-N 265.269 2.579 30 40 CFEB C[C@H](CC#N)NC(=O)c1cc2cc(Cl)ccc2[nH]1 64318157 VDXNKYPZRBNSAZ-MRVPVSSYSA-N 261.712 2.853 30 40 CFEB N#Cc1ncn(Cc2nc3ccccc3c3ccccc23)n1 14144078 SZNVXALDZZTEGT-UHFFFAOYSA-N 285.310 2.899 30 40 CFEB Cc1nc(C#N)c(C#N)n1Cc1ncc(-c2cccs2)o1 155270181 IHDMNULUWCEPHS-UHFFFAOYSA-N 295.327 2.700 30 40 CFEB Cc1ccc(NC(=O)[C@H](C#N)Cc2ccncc2)cc1 420079 CVCHHFKUDWKMLE-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB C#CCCCCCCCC/C=C/C[C@H](O)C[C@@H](O)CO 225410176 YPRUUOUDKJWVMW-PUENXVRKSA-N 282.424 2.791 30 40 CFEB biogenic,in-vitro C=C(C)CNC(=S)N/N=C/[C@@H](C)c1ccccc1 6047689 JPLMBOZPESSRCV-HMHNVIDESA-N 261.394 2.816 30 40 CFEB C#CCNC(=O)c1oc2ccc(Br)cc2c1C 21903198 KGLMAEJRACETNV-UHFFFAOYSA-N 292.132 2.867 30 40 CFEB CN(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 33376887 NAYPPFLITBUMJO-BMRADRMJSA-N 284.319 2.930 30 40 CFEB C=C(C)CN(CC(=C)C)C(=N)OC[C@@H]1CCCO1 4783438 IHQKLPHKVUQNON-ZDUSSCGKSA-N 252.358 2.571 30 40 CFEB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O 2619920 NCRYVUUVONMELX-SJKOYZFVSA-N 297.358 2.559 30 40 CFEB COc1ccc(C(=O)COc2ccc(C#N)cc2)c(OC)c1 2659076 CHOCTPILQUIUGU-UHFFFAOYSA-N 297.310 2.837 30 40 CFEB Cc1cc(C)n(C[C@@H](C)CNCc2ccc(C#N)cc2)n1 48714605 HOFSXOZPMDULHP-ZDUSSCGKSA-N 282.391 2.798 30 40 CFEB COc1ccc(-n2c(C)c(C)c(C#N)c2N)c(OC)c1 6659435 KJSJIBFCSKGREP-UHFFFAOYSA-N 271.320 2.565 30 40 CFEB CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 307739299 YOLIKNNPHVFIHM-UHFFFAOYSA-N 262.158 2.557 30 40 CFEB O=C(/C=C\c1ccc(O)c(O)c1)c1ccc(O)cc1 38147959 UPERCWWUZZKHCL-XFSBKJJWSA-N 256.257 2.700 30 40 CFEB Cc1ccc(COc2nn(C(C)C)c(N)c2C#N)cc1 225831530 XULRJHNLASUTLU-UHFFFAOYSA-N 270.336 2.805 30 40 CFEB C[C@@H](c1ccsc1)N1CCN(c2ccc(C#N)nc2)CC1 97378404 NBQCJPNWEGFJKJ-ZDUSSCGKSA-N 298.415 2.898 30 40 CFEB C=CCN1CCN(Cc2c(C)noc2C)Cc2cccnc21 96198878 VJWNHNFINWYVCP-UHFFFAOYSA-N 298.390 2.695 30 40 CFEB C[C@H](C[S@@](C)=O)Nc1ccc(C(F)(F)F)c(C#N)c1 97379235 VZABTSGFVBTMNM-YLVJLNSGSA-N 290.310 2.756 30 40 CFEB C=CCNC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 5631252 CYXLFMZUPZTCRD-UHFFFAOYSA-N 271.729 2.721 30 40 CFEB CN(C)C[C@@H]1CCC/C1=N\OC(=O)c1ccccc1 17198624 BPNOHIZSXDLBDZ-YZGLPLCXSA-N 260.337 2.561 30 40 CFEB Cc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1 18169108 IWLCKOYPEPDLBD-UHFFFAOYSA-N 266.329 2.671 30 40 CFEB N#Cc1c(Cl)nc(-c2ccc(F)cc2)c(C#N)c1N 85409251 FGFWRFPTRSPMBK-UHFFFAOYSA-N 272.670 2.867 30 40 CFEB O=C1/C(=N/O)c2ccccc2N1CCCOc1ccccc1 102313088 YKTIESWOVWAEOS-FBMGVBCBSA-N 296.326 2.681 30 40 CFEB C=C(Cl)COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 22989299 RYPVTCKYOOXGEI-JTQLQIEISA-N 283.686 2.547 30 40 CFEB C=CCN/C(=N/Cc1cccs1)NCc1cscn1 95350543 CCPMRZPMRPCEBW-UHFFFAOYSA-N 292.433 2.626 30 40 CFEB CN(C)c1ccc(/C=N/NC2=NCCCCC2)cc1 3197467 PYPGYVUQGHHCMR-SFQUDFHCSA-N 258.369 2.649 30 40 CFEB COc1cccc(C#CCOC(=O)c2scnc2C)c1 79014771 TZCZERCSODDWAL-UHFFFAOYSA-N 287.340 2.669 30 40 CFEB CSc1ccc(C(=O)C[n+]2ccccc2C)cc1 1667167 IWHJSXQFLKPMBO-UHFFFAOYSA-N 258.366 2.887 30 40 CFEB CC1=C(CCC(=O)O)C(=O)[C@@H](CCC(=O)O)C(C)(C)C1 1737247 BQRPLWREBGLFFO-LLVKDONJSA-N 282.336 2.648 30 40 CFEB C[N+]1(CC(=O)OCCCc2ccccc2)CCCCC1 1836424 MGXIJIYRPJRZOI-UHFFFAOYSA-N 276.400 2.793 30 40 CFEB N#Cc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1 4824364 XSWUUJJMJLPRSK-UHFFFAOYSA-N 277.283 2.792 30 40 CFEB CN1CCC(=O)N(/N=C/c2ccccc2)[C@@H]1c1ccccc1 55120874 ODBRVFKJHOJBRR-XWALVKJWSA-N 293.370 2.883 30 40 CFEB N#Cc1ccc(NC(=O)c2cccnc2Cl)cc1 8051341 LMDUZMUBKQXMBR-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB C#CCOc1ccc([C@H](C)NCC2CCN(C)CC2)cc1 95421887 MIQNDANVQFTQRK-HNNXBMFYSA-N 286.419 2.691 30 40 CFEB O=C1C=C(c2ccccc2)C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 101460242 FBCSKRIOXNULOU-RKLWJJNISA-N 250.297 2.660 30 40 CFEB CC(C)=C1C[C@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O 14971531 GTHJHHZMCSHKDZ-YJNKXOJESA-N 250.338 2.781 30 40 CFEB biogenic CN(CCNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C 71855407 ALTCAGONZXRWTN-UHFFFAOYSA-N 289.379 2.515 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1cc(F)cc(F)c1 18253974 QROIXEDHMTUBOH-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB Cc1cccc([C@@H]2C[C@@H]2C(=O)OC2CCN(CC#N)CC2)c1 89669411 IYUDAESKVGGRGG-IRXDYDNUSA-N 298.386 2.630 30 40 CFEB CO[C@H](CNc1nccnc1C#N)c1ccc(Cl)cc1 78381588 LTRMEGXBUYDWLU-CYBMUJFWSA-N 288.738 2.801 30 40 CFEB CC1(C)C[C@@H](NCCC#N)C[C@@](C)(CNCCC#N)C1 33611225 HEUAYLFWKXGPEA-GDBMZVCRSA-N 276.428 2.578 30 40 CFEB C=CCOc1c(Br)cc(OC)cc1C=O 225273123 HCWLJWNSUZZJJF-UHFFFAOYSA-N 271.110 2.835 30 40 CFEB O=C(O)/C(=N/OCc1ccccc1)c1ccccc1 1577697 GYJYAFJFRHNIBI-JQIJEIRASA-N 255.273 2.692 30 40 CFEB COC1=C(C(C)C)c2cc(C)c(O)cc2[C@](C)(O)C1=O 604377499 KUIKAQQHWIBPIM-INIZCTEOSA-N 276.332 2.504 30 40 CFEB biogenic,in-vitro CCCc1noc(CN(C)Cc2cc(C#N)ccc2F)n1 30972846 AMBNTWXAPDSQJN-UHFFFAOYSA-N 288.326 2.665 30 40 CFEB COc1cc2c(cc1OC)C(=O)C(=Cc1ccncc1)C2 1857793026 SUVQWDLUAIFZKM-UHFFFAOYSA-N 281.311 2.921 30 40 CFEB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(C#N)c2)C1 47415981 WIBXUZKLJOFHLA-HUUCEWRRSA-N 299.418 2.656 30 40 CFEB CC[C@@H](Oc1ccccc1F)/C(O)=N/c1nc(C)n[nH]1 78997139 SLPFRLXXUBLNSR-SNVBAGLBSA-N 278.287 2.698 30 40 CFEB CS[C@@H](C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4692177 MDTLCKSUWLYASZ-KEXZDQNZSA-N 284.297 2.652 30 40 CFEB CC(C)N(Cc1cnn(C)c1)Cc1ccc(C#N)cc1F 55920423 WQYFBWDMGJNOEC-UHFFFAOYSA-N 286.354 2.841 30 40 CFEB C=CCNC(=O)[C@H](C)Oc1ccc2ccc(OC)cc2c1 12788679 CSWZPNPUZXAVMT-LBPRGKRZSA-N 285.343 2.918 30 40 CFEB N/C(Cc1ccccc1)=N\OCc1ccc([N+](=O)[O-])cc1 58367185 AMCCYIKZKXPYAX-UHFFFAOYSA-N 285.303 2.626 30 40 CFEB N#Cc1cccnc1N1CC[C@@H](Nc2ccccc2)C1 58343091 CSXGZARZPSMPED-OAHLLOKOSA-N 264.332 2.644 30 40 CFEB C=CCOC(=O)c1ccc2cnc(C3CC3)n2c1C 96004160 BKVCGUIAPLMYMN-UHFFFAOYSA-N 256.305 2.863 30 40 CFEB C/C(=N\OCC(=O)NCc1ccccc1)c1ccccc1 6051677 FTPHFQMBDHOMRT-XMHGGMMESA-N 282.343 2.744 30 40 CFEB C=CCn1cnc2c(sc3nc(C)c(C)cc32)c1=O 13725907 FORZDYMIGSQNKK-UHFFFAOYSA-N 271.345 2.809 30 40 CFEB COC(=O)c1ccc(OCc2ccc(C#N)cc2)cc1 5185078 RLHNKNRVGWTHRU-UHFFFAOYSA-N 267.284 2.924 30 40 CFEB N#Cc1cccc(NC(=O)CNc2cccc(F)c2)c1 6397346 OEDDBJOWHHQKFC-UHFFFAOYSA-N 269.279 2.748 30 40 CFEB C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(C#N)cc1 7937996 FDRZQCDTEYNMBQ-QWHCGFSZSA-N 298.342 2.785 30 40 CFEB CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 8325744 IXZJWEDOJFBOFI-NTUHNPAUSA-N 265.317 2.502 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(F)cc(F)c1 660067378 SPSWHHMTKMNAMO-BETUJISGSA-N 299.342 2.837 30 40 CFEB Cc1ccccc1COc1nn(C(C)(C)C)c(N)c1C#N 225835353 BZDCARBVYVEUBF-UHFFFAOYSA-N 284.363 2.979 30 40 CFEB COC(=O)[C@]1(C)O[C@@]1(C)c1ccc(Br)cc1 85658046 OICRRMZBDWQUHS-RYUDHWBXSA-N 285.137 2.626 30 40 CFEB CCCCOc1ccc(C(=O)Cn2ccnc2C#N)cc1 225443511 AAHIDAMKFBVRRZ-UHFFFAOYSA-N 283.331 2.817 30 40 CFEB N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)on2)nc1 96449647 INMCXXWRWLLMGD-UHFFFAOYSA-N 290.282 2.861 30 40 CFEB C=C1C(=O)O[C@@H]2C(=O)O[C@@H](CCCCCCCC)[C@H]12 85745179 GSTQYRQXFPSWSH-AVGNSLFASA-N 266.337 2.760 30 40 CFEB biogenic C=C(C(=O)O)[C@@H]1C[C@H](O)[C@]2(C)CCCC(=C)[C@@H]2C1 35457709 IBJRJSQUSVUUDO-PWNZVWSESA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro N#Cc1ccc2ccn(CC(=O)NC3CCCCC3)c2c1 382787 RXMIGIZQJGELGV-UHFFFAOYSA-N 281.359 2.962 30 40 CFEB CCNC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O 72133 LPOUICRMYKUGGG-LHHJGKSTSA-N 292.191 2.517 30 40 CFEB N#CCNC(=O)c1ccccc1CCc1ccccc1 58163231 JFVQEABLRRGRET-UHFFFAOYSA-N 264.328 2.725 30 40 CFEB CN(C)c1ncccc1CNc1snc(Cl)c1C#N 44975932 LPBYFZORYRMRDH-UHFFFAOYSA-N 293.783 2.741 30 40 CFEB CCN(CC)C(=O)/C=C1/C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366799 ULDRIUWGHBQBBL-SVZMOYEBSA-N 263.381 2.806 30 40 CFEB COc1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1O 5505525 IAZUOUDQUNLAAR-DYBVGFEPSA-N 262.353 2.998 30 40 CFEB COC[C@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 95434109 QCQIQETYNKWZGW-HNNXBMFYSA-N 266.385 2.638 30 40 CFEB C=C[C@@H](C)NC(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C 95944630 XACRKPITOOGBPA-GHMZBOCLSA-N 278.400 2.881 30 40 CFEB N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)nn2)c(F)c1 528787592 BFTMXFZTZMDQOQ-OAHLLOKOSA-N 298.321 2.530 30 40 CFEB CCOC(C#Cc1cccc2cnccc12)OCC 72206978 HQUJTFGAHDAIRN-UHFFFAOYSA-N 255.317 2.985 30 40 CFEB CN(C)c1ccc2c(c1)S[C@H]1CC(=[N+](C)C)CC[C@@H]1N2 199291481 QEILFQOAUMHSSE-HOCLYGCPSA-N 290.456 2.904 30 40 CFEB N#Cc1cc(N)c(Br)n1Cc1ccccc1F 225889621 GIEBFQYFODETKG-UHFFFAOYSA-N 294.127 2.892 30 40 CFEB CCCCC[C@H](O)C#Cc1cc(OC)cc(OC)c1 95631982 NLIFLCXWEZKMJP-AWEZNQCLSA-N 262.349 2.997 30 40 CFEB CCOc1ccc(C#CCO[C@@H]2CCCCO2)cc1 95632088 WLWFAMRKTCNXRM-MRXNPFEDSA-N 260.333 2.980 30 40 CFEB CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccccc1 257890 CVQYSBNKNJTCJC-UKJPIOLTSA-N 299.399 2.983 30 40 CFEB C=CCNC(=O)c1cc(/C=C/C)c(OC)c(OC)c1 14161423 ZUTZHXYSTZSEKR-FNORWQNLSA-N 261.321 2.653 30 40 CFEB CCCc1nnc(S)n1/N=C/c1sccc1C 5012109 QWXSBXZSDPZMRX-KPKJPENVSA-N 266.395 2.771 30 40 CFEB CCCCCCCCCN1CCC(C(N)=O)CC1 2160156 KMWUYCUVLQVKQV-UHFFFAOYSA-N 254.418 2.934 30 40 CFEB N#CCSc1ccccc1C(=O)N1CCCCC1 50078371 PDZSYIMIYBLJTD-UHFFFAOYSA-N 260.362 2.928 30 40 CFEB CC(=O)C1=Cc2cc(Br)ccc2OC1 20390119 LZKLTUMWALWYNP-UHFFFAOYSA-N 253.095 2.814 30 40 CFEB N#CCOc1ccc2c3c(c(=O)oc2c1)CCCC3 1787433 CBLNDUXUUPREQZ-UHFFFAOYSA-N 255.273 2.574 30 40 CFEB Cc1ccc(C(=O)/C=C(\O)C(=O)Nc2cc(C)on2)cc1 108423833 HAOXFAOFCDGUSK-JYRVWZFOSA-N 286.287 2.555 30 40 CFEB Cc1ccccc1/C=N/n1c(S)nnc1-c1ccccn1 5981887 KWFQXVIKEVLOST-LICLKQGHSA-N 295.371 2.819 30 40 CFEB CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 37502320 MMGXVZFRUICILQ-OLZOCXBDSA-N 287.407 2.902 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1cc(F)cc(Cl)c1O 95963346 FYYZYEKDIXGPGX-MRVPVSSYSA-N 284.718 2.806 30 40 CFEB N#Cc1cc(C(F)(F)F)ncc1Br 72319616 XBGQKEABZCTRRT-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB C=CCNc1ncc(C(=O)Nc2c(C)noc2CC)s1 89943804 LOPJFJQSGABVEI-UHFFFAOYSA-N 292.364 2.852 30 40 CFEB NC(=O)Cn1cc(/C=N\c2cccc(O)c2)c2ccccc21 409384472 CNMLLZMRCIOQIM-OCKHKDLRSA-N 293.326 2.583 30 40 CFEB Cc1cccc(Cn2nc(C(F)(F)F)c(C#N)c2N)c1 225844940 OSWLYWRVKKJGKR-UHFFFAOYSA-N 280.253 2.713 30 40 CFEB N#CCc1ccc(NC(=S)NCc2ccncc2)cc1 225333193 ZOEXKVDYLAEPRN-UHFFFAOYSA-N 282.372 2.634 30 40 CFEB C=CCOCc1nn(C(C)C)c2c1CCN(CC1CC1)C2 96085020 VLGVOTVCNNLZCT-UHFFFAOYSA-N 289.423 2.935 30 40 CFEB CCOc1nc(-c2ccc(C)cc2)ccc1/C(N)=N/O 96007058 UJBDISSXKMROCI-UHFFFAOYSA-N 271.320 2.550 30 40 CFEB N#Cc1ccccc1Oc1ccc(NC(N)=O)cc1F 76082154 GJRMJBNJVKSWAN-UHFFFAOYSA-N 271.251 2.980 30 40 CFEB Cc1ccc(C(=O)/C=C/[n+]2ccc(N)cc2)c(C)c1 5744611 XOVOLRYEDXUIQP-JXMROGBWSA-O 253.325 2.527 30 40 CFEB CC(=O)Nc1ccc(/C=N\N=C/c2ccccc2O)cc1 16919682 TXLIKAKIPJQNFE-IWSCKCOWSA-N 281.315 2.804 30 40 CFEB C#Cc1cccc(NC(=O)[C@@H]2CCCN2c2nccs2)c1 40516186 CDZMJGRSIXYEOE-AWEZNQCLSA-N 297.383 2.732 30 40 CFEB N#Cc1cccc(COC(=O)c2ccc3cn[nH]c3c2)c1 32901745 BPLPKANYPVBNKU-UHFFFAOYSA-N 277.283 2.792 30 40 CFEB N#C[C@@]1(C=O)c2ccccc2C=CN1C(=O)c1ccccc1 6514603 YPVAZGJPRBAURR-GOSISDBHSA-N 288.306 2.731 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2/C[C@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 35515454 GCEQJUADWFNJDR-JBMSEHCPSA-N 288.263 2.867 30 40 CFEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccsc2)cc1 102752351 KCNFMYJVUHGZBZ-CQSZACIVSA-N 298.367 2.695 30 40 CFEB N#CCCn1cc(C=O)c(-c2ccc(F)c(F)c2)n1 3394984 UWRIYTQRYGQIHD-UHFFFAOYSA-N 261.231 2.554 30 40 CFEB N#Cc1ccccc1CN1C(=O)CN(c2ccccc2)C1=O 47171073 MJQAEMUORCKJSP-UHFFFAOYSA-N 291.310 2.527 30 40 CFEB CO/N=C/c1c(-c2ccccc2)nc2n1CCS2 12338486 QSEBLLOKNJDEJF-NTEUORMPSA-N 259.334 2.636 30 40 CFEB CNC(=O)c1ccc(CN(C)c2ccc(C#N)cc2F)cc1 62639907 FYSMGJHHAWFYIT-UHFFFAOYSA-N 297.333 2.693 30 40 CFEB N#Cc1ccccc1COC(=O)c1ccc2c(c1)OCCO2 3536451 SGGXPKPUHOJBHF-UHFFFAOYSA-N 295.294 2.686 30 40 CFEB CNC(=S)N/N=C(\C)c1ccc(Cl)c(Cl)c1 5781529 DXRCBRDEXSOCGK-MKMNVTDBSA-N 276.192 2.811 30 40 CFEB N#CCCCSc1nccn1Cc1ccccn1 71903289 ONYNKPMIPTZIGW-UHFFFAOYSA-N 258.350 2.722 30 40 CFEB C=C(Cl)CN1CCC[C@H]1c1nncn1CC(C)C 71915949 SQPOTAAMLPEDRD-LBPRGKRZSA-N 268.792 2.824 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(C#N)c1 7652160 MYUARQKRSLCAOC-DOMZBBRYSA-N 272.348 2.632 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(C)c1C 84765681 ZGBAWEZPLIAEMM-LBPRGKRZSA-N 273.380 2.724 30 40 CFEB N#Cc1csc(CNCCOc2ccc(Cl)cn2)c1 95415591 ZRDWFEZEVGADCM-UHFFFAOYSA-N 293.779 2.837 30 40 CFEB O=C1C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ncccc21 110462055 IIWNVCJHWDDTLO-QGOAFFKASA-N 294.270 2.559 30 40 CFEB C#Cc1cccc(N(C(=O)Cc2cc(C)on2)C(C)C)c1 74565389 WKXPUSHWRJWPGF-UHFFFAOYSA-N 282.343 2.948 30 40 CFEB N#CCCCCS(=O)(=O)N[C@H]1C[C@H]1C1CCCCC1 96428339 WEIAVECMBZKXEP-KBPBESRZSA-N 284.425 2.568 30 40 CFEB C=CCCC(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575605348 JUOUWTDLDMZRRR-NSHDSACASA-N 280.755 2.681 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)CCOC[C@H]1CO1 1565660569 TWCJOWYWRWBKKP-YFKPBYRVSA-N 270.144 2.625 30 40 CFEB O=C(C[n+]1cc2ccccc2cc1/C=N\O)c1ccccc1 5120967 ZGQHNQZTNOPVIJ-UHFFFAOYSA-O 291.330 2.818 30 40 CFEB CC(=O)Nc1cccc(C(=O)OCc2ccccc2C#N)c1 5168728 UREHUSCQHRODGW-UHFFFAOYSA-N 294.310 2.874 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 13556348 YLUPTEYKJCDJHX-KPYKTUGDSA-N 277.324 2.690 30 40 CFEB N#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCCO3 19801457 JQYBHRWSTHGKGJ-UHFFFAOYSA-N 295.342 2.868 30 40 CFEB CC(=O)O/N=C1/C(=O)c2ccccc2-c2ccccc21 5378685 IMNKFQHPCQZMLC-BMRADRMJSA-N 265.268 2.817 30 40 CFEB N#Cc1cc(CN2CCC[C@H]2c2ccc(O)nn2)ccc1F 528787067 FHWFNOFQQYMECQ-HNNXBMFYSA-N 298.321 2.530 30 40 CFEB CCN(CC)C[C@H](C)[C@]1(C#N)OCCc2ccccc21 1306503 ZQYXCJSGEWRXAI-YOEHRIQHSA-N 272.392 2.956 30 40 CFEB C=CCn1c(=N)sc2cc(C(=O)OCC)ccc21 100968574 IXQUGSNROWGTKG-UHFFFAOYSA-N 262.334 2.545 30 40 CFEB C[C@@H](C#N)Sc1ncnc2c1cnn2-c1ccccc1 4601775 FTQOCZQXYJBMEY-JTQLQIEISA-N 281.344 2.820 30 40 CFEB C(=N/Nc1nc2ccccc2n2cnnc12)\c1ccccc1 4793203 XNYRKNXQUUSHLT-LICLKQGHSA-N 288.314 2.724 30 40 CFEB COc1ccc(/N=N/c2nc(C#N)c(C#N)[nH]2)c(OC)c1 4817942 BTEGQVTUBVEXBD-VHEBQXMUSA-N 282.263 2.586 30 40 CFEB CC(=O)NC[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 69698702 BGVRHBVKJYHWHK-GFCCVEGCSA-N 291.782 2.564 30 40 CFEB C=CCNCCCOc1ccc(Br)cc1 8749811 MHYRQWXJRAASEE-UHFFFAOYSA-N 270.170 2.994 30 40 CFEB C=C(Br)CN(C)C[C@H](O)c1ccc(F)cc1 71909973 ZMDTUHKYASGAKX-LBPRGKRZSA-N 288.160 2.700 30 40 CFEB C#Cc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 95947396 GJTKMENOJFIPKP-PXAZEXFGSA-N 293.322 2.835 30 40 CFEB COC[C@@H]1CCN(c2c(Cl)cccc2C#N)C1 78296962 ATHYQYJLNPBUMO-SNVBAGLBSA-N 250.729 2.684 30 40 CFEB N#Cc1cccc(C(=O)c2ccc3c(c2)OCCO3)c1 30822815 KPKGNWFRWRCIME-UHFFFAOYSA-N 265.268 2.560 30 40 CFEB C=CCOC(=O)c1ccc(OC2CCOCC2)cc1 76847945 OEYKQHYPSPQAPC-UHFFFAOYSA-N 262.305 2.587 30 40 CFEB C=CCN(C(=O)Cc1ccccc1O)C1CCCC1 96475457 IULOKBSQGUIMAT-UHFFFAOYSA-N 259.349 2.892 30 40 CFEB O=C(CC(=O)c1ccccc1)O/N=C/c1ccccc1O 5601196 UCNCWIOHNLXREG-GZTJUZNOSA-N 283.283 2.542 30 40 CFEB O=C(/C=C/c1cccnc1)c1ccc2c(c1)OCCO2 7587060 UQNNVZOYDZFXMU-HWKANZROSA-N 267.284 2.749 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2cccnc2Cl)cc1 3257446 SHQNVVNEVMPQJL-UHFFFAOYSA-N 287.706 2.624 30 40 CFEB COc1cccc(CNc2nnc(C)c(C)c2C#N)c1 24053039 SNBWQSOAZZZMAI-UHFFFAOYSA-N 268.320 2.586 30 40 CFEB CCc1ccc(CC)c(C(=O)/C=C(\O)C(=O)OC)c1 100965743 IMYWQPBPXNOSIH-ZROIWOOFSA-N 262.305 2.609 30 40 CFEB C=C(C)Cn1c(=O)nc(N)c2c3c(sc21)CCCCC3 40268840 KQKXIRCTDIENKN-UHFFFAOYSA-N 289.404 2.885 30 40 CFEB CC1=CC(=O)C=C(C)C1=NOC(=O)c1cccc(C)c1 351361 KLDWAQMYNSHSAE-UHFFFAOYSA-N 269.300 2.983 30 40 CFEB COC(=O)/N=C(/Nc1ccc(OC)cc1)C(F)(F)F 3068874 WBZQVHYBFSYVBL-UHFFFAOYSA-N 276.214 2.834 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@@H]2CCCC[C@H]2C)c1 12522017 PUJUDMRZNNJTAL-CZUORRHYSA-N 270.376 2.775 30 40 CFEB CCc1nnc(S)n1/N=C/C=C\c1ccccc1 26532454 UVKSKFLYSSHDLO-KBFXXWBJSA-N 258.350 2.677 30 40 CFEB CN(C(=O)/C=C/c1ccccc1F)C1(C#N)CCC1 58414643 UKUHBEDZBHEFHN-BQYQJAHWSA-N 258.296 2.744 30 40 CFEB CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1(C#N)CCC1 58407619 VOPJTBBSWDWKGE-UHFFFAOYSA-N 298.302 2.594 30 40 CFEB O=C(CC/[N+]([O-])=C\c1ccccc1)OCc1ccccc1 104196144 HYRXKVXKQWJTBV-QGOAFFKASA-N 283.327 2.749 30 40 CFEB CC/C(Cc1ccccc1)=N\NC(=S)NC(C)C 5832858 JOLBYMIDNGOTPV-DTQAZKPQSA-N 263.410 2.868 30 40 CFEB COC(=O)c1ccccc1-c1ccc(/C=N/c2nc[nH]n2)o1 5910258 JDBJVGRCSIFIIX-LZYBPNLTSA-N 296.286 2.602 30 40 CFEB N#Cc1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 15518785 ODTZMXMSGWZTDM-UHFFFAOYSA-N 274.327 2.997 30 40 CFEB COCC/N=C(\S)N/N=C(\C)c1cc2ccccc2o1 8691219 CUPOKIULPKAAAQ-MHWRWJLKSA-N 291.376 2.679 30 40 CFEB Cc1ccc(C(C)(C)/C(O)=N/S(=O)(=O)C(C)C)cc1 78411416 MVDBUIGPNBLROD-UHFFFAOYSA-N 283.393 2.967 30 40 CFEB C=CCN1Cc2ccc(Br)cc2C1=O 72209237 QMYSRGARKORRAD-UHFFFAOYSA-N 252.111 2.591 30 40 CFEB CCOc1c(N)cc(C#N)n1Cc1ccccc1F 225873833 FUADBOGUHNKUKU-UHFFFAOYSA-N 259.284 2.528 30 40 CFEB COC(=O)[C@@H]1O[C@@]1(C)c1cc(Cl)ccc1Cl 85657584 ZLDORLGIWWYZLR-ONGXEEELSA-N 261.104 2.780 30 40 CFEB C[C@@H](CNC(=O)C1(C#N)CCC1)Oc1ccc(Cl)cc1 81349183 BKQCUXYCJJETCR-NSHDSACASA-N 292.766 2.917 30 40 CFEB COc1cc(CN(CC#N)C2CC2)ccc1OC(F)F 53421620 RHTZIXKRXNZZOT-UHFFFAOYSA-N 282.290 2.785 30 40 CFEB N#Cc1ccccc1/N=c1\oc2ccccc2cc1C(N)=O 191883 MHVGYLCZBHTKQE-JZJYNLBNSA-N 289.294 2.636 30 40 CFEB C=CCOc1c(Br)cc(/C=N/O)cc1OC 13747416 NDKVPTODLOHKST-NTUHNPAUSA-N 286.125 2.831 30 40 CFEB CCCCN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 19846828 FKRGYEZKLGJVFO-GFCCVEGCSA-N 259.353 2.617 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCCC1 20298417 WLDQKSNFSZFIMN-ZDUSSCGKSA-N 272.348 2.728 30 40 CFEB C=CCNc1ncnc2c1cnn2-c1cccc(C)c1 3912182 PHOZAMMLEUTDLK-UHFFFAOYSA-N 265.320 2.722 30 40 CFEB O=C1Nc2ccccc2N/C1=C/C(=O)c1ccccc1O 104286894 OFGOZHMBVXWBHL-UKTHLTGXSA-N 280.283 2.523 30 40 CFEB Cc1cc(C)nc(S[C@@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)n1 100965123 VMFVXFIGYNQUBM-CCBQISPPSA-N 263.366 2.814 30 40 CFEB CCn1cc(C(=O)/C=C/c2c[nH]nc2C(C)(C)C)cn1 49274797 XZEYRYDOFOOGFH-VOTSOKGWSA-N 272.352 2.820 30 40 CFEB C=CCn1c(SCCC#N)nc2sccc2c1=O 9366437 USBLXPGCFVMBOY-UHFFFAOYSA-N 277.374 2.650 30 40 CFEB C=CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 5631237 OYADQHHCYBXIQW-UHFFFAOYSA-N 262.290 2.725 30 40 CFEB C=CCOc1ccc(OC(=O)c2cn(C)nc2C)cc1 81324228 NUFDSNOIAORIKX-UHFFFAOYSA-N 272.304 2.513 30 40 CFEB C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224884647 DFUUUISMKSYOIA-LBPRGKRZSA-N 259.349 2.635 30 40 CFEB CCCCc1cc(NC(=O)c2ccc(C#N)cn2)on1 96449774 WIWSUANBYSFUML-UHFFFAOYSA-N 270.292 2.536 30 40 CFEB C[C@H]1c2cccn2CCN1C(=O)c1cccc(C#N)c1 30265774 CTMXLMYBOYWCIW-LBPRGKRZSA-N 265.316 2.577 30 40 CFEB C[C@H](NC(=O)NC1CCCC1)c1ccc(C#N)cc1 31101571 UILOTHUVIIXPDV-NSHDSACASA-N 257.337 2.861 30 40 CFEB CN(CCc1ccncc1)Cc1ccc(C#N)cc1 31945978 ARKJLYKVWKRUEO-UHFFFAOYSA-N 251.333 2.628 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1ccc(F)c(F)c1 42296652 OTLMJDJRNTWNNU-SECBINFHSA-N 252.264 2.587 30 40 CFEB COc1ccc2c(c1)O[C@]1(C)O[C@]1(c1ccccc1)C2=O 1094095 VMRJIOUWFBJQSV-IAGOWNOFSA-N 282.295 2.912 30 40 CFEB O=S(=O)(/N=C(\O)C[C@H]1C=CCC1)c1cccc(F)c1 78949006 HNVBGMWNUOHYQH-JTQLQIEISA-N 283.324 2.827 30 40 CFEB O=C(C[n+]1ccccc1Br)c1ccccc1 1577330 VYYICZHHGSBEQX-UHFFFAOYSA-N 277.141 2.620 30 40 CFEB N#Cc1cccc(NC(=O)NCCCNc2ccncc2)c1 72278778 XATRLWVRDWXGOZ-UHFFFAOYSA-N 295.346 2.577 30 40 CFEB N#Cc1csc(CNc2ccc3c(c2)OCC(=O)N3)c1 97113745 BZUDHYZPQMNBBL-UHFFFAOYSA-N 285.328 2.563 30 40 CFEB N#Cc1ccccc1O[C@H](C(=O)NC1CC1)c1ccccc1 12941485 WVZQYLCPLABJGF-KRWDZBQOSA-N 292.338 2.957 30 40 CFEB CO[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 179735784 ZXIRKLQUTZAVOF-OAHLLOKOSA-N 282.299 2.590 30 40 CFEB Cc1cc(O)cc2c1C(=O)/C(=C/c1cccnc1)O2 6669299 GQEJWALMKZTDDM-MLPAPPSSSA-N 253.257 2.712 30 40 CFEB N#Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)c(F)c1 97202720 RWXDHGWJOQFXKX-UHFFFAOYSA-N 284.338 2.800 30 40 CFEB CN(Cc1cc(C#N)ccc1F)Cc1cnccc1N(C)C 97376885 INCWBWMCHCXFLY-UHFFFAOYSA-N 298.365 2.790 30 40 CFEB Cc1nc(-c2ccccc2)nc(SCCN(C)C)c1C#N 27789339 VBRHOGYSAXCBSM-UHFFFAOYSA-N 298.415 2.977 30 40 CFEB Cc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1 408748828 CFGYOFBKFUCORG-NVNXTCNLSA-N 256.265 2.744 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 73640142 IHVZVBBIHTVRAW-UHFFFAOYSA-N 285.255 2.953 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1O 31164533 QTSQCCVLTMKKDP-SFDCQRBFSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro C=CCN(C)C(=O)N[C@@H](C)Cc1ccc(F)cc1 195570616 NMXVTVWOJKPDJB-NSHDSACASA-N 250.317 2.584 30 40 CFEB Cc1sc(/N=C/c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1C 96609286 HVTSMOOWHMVOBO-LHHJGKSTSA-N 293.304 2.716 30 40 CFEB Cc1nnc(NCc2ccc([C@@H](C)O)cc2)c(C#N)c1C 53584541 NEIVTEYZTIDQJL-GFCCVEGCSA-N 282.347 2.631 30 40 CFEB COC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 61847518 ZILHYGONCWGALK-UHFFFAOYSA-N 278.739 2.601 30 40 CFEB N#Cc1ccc(Sc2nc(Cc3cccs3)n[nH]2)nc1 24988772 LPTSGJIEKHPCAK-UHFFFAOYSA-N 299.384 2.875 30 40 CFEB CN(C)/C(N)=N/CCc1cccc(OCc2ccccc2)c1 120488568 PAPMMMCITXJASV-UHFFFAOYSA-N 297.402 2.684 30 40 CFEB COC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6250363 NDSZIERQQKBVKA-SSDOTTSWSA-N 250.323 2.923 30 40 CFEB N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 44920350 DRGFCFJJTLYIBV-AWEZNQCLSA-N 296.355 2.838 30 40 CFEB CCc1ccc(NC(=O)[C@H](C#N)Cc2cccnc2)cc1 419695 CRHLCBQGEWIIOB-HNNXBMFYSA-N 279.343 2.965 30 40 CFEB N#Cc1ccc(NCCCc2nc3ccccc3[nH]2)nc1 12575640 QRWWIRJUROPXIM-UHFFFAOYSA-N 277.331 2.874 30 40 CFEB Cn1c([C@H](C#N)C(=O)c2ccco2)nc2ccccc21 1279905 MSCSNIHWQWHBID-SNVBAGLBSA-N 265.272 2.656 30 40 CFEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N/C2=N\C(=O)c1ccccc1 100364657 JYYVUMQUBHVWPC-SJKOYZFVSA-N 284.359 2.798 30 40 CFEB Cc1nc2ccccc2nc1[C@H](C#N)C(=O)OC(C)(C)C 12760887 XBZWYSZANLFTKY-NSHDSACASA-N 283.331 2.887 30 40 CFEB CC(C)CCC[C@@H](C)N/C(N)=N/CC1CCOCC1 170904726 YSXSGXQHYHHUHU-CYBMUJFWSA-N 269.433 2.532 30 40 CFEB CCOCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 48474417 IKBQXLSFMSKCIV-UHFFFAOYSA-N 281.743 2.760 30 40 CFEB COC(=O)Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1 29624737 RRLVZPFYZOUTQY-UHFFFAOYSA-N 294.310 2.526 30 40 CFEB N#Cc1cc(F)ccc1CN1CC[C@@H](Oc2ccncc2)C1 95428220 AFSOWPPIURTCGE-QGZVFWFLSA-N 297.333 2.746 30 40 CFEB N#Cc1c(NC(=O)c2csnn2)sc2c1CCCC2 20894188 DXPQEHRFDUYBSX-UHFFFAOYSA-N 290.373 2.602 30 40 CFEB COc1ccccc1/C=N/Nc1nc(C)cc(C)n1 4578458 GKDHRFWCXSIDAH-OQLLNIDSSA-N 256.309 2.548 30 40 CFEB CN(/C(N)=N/[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 195559358 RSUZGLUDVZLFBB-STQMWFEESA-N 263.772 2.605 30 40 CFEB COC(=O)c1ccc2nc(S[C@H](C)C#N)oc2c1 96409198 GMMUIYLOTLWDJB-SSDOTTSWSA-N 262.290 2.619 30 40 CFEB C[C@@H]1C[C@]2(C)O[C@H]2CN1C(=O)OCc1ccccc1 242648797 RIRWBDVJTPSYDY-ZLDLUXBVSA-N 261.321 2.575 30 40 CFEB COc1ccc(CC(=O)N[C@](C)(C#N)C2CC2)c(Cl)c1 89368596 WYBDLGFFJAYKMW-OAHLLOKOSA-N 292.766 2.700 30 40 CFEB O/N=C(/C[C@@H](NO)c1ccccc1)c1ccccc1 4266146 ZUWXMDDZLGXBOF-XEVXXXDWSA-N 256.305 2.975 30 40 CFEB C[C@H]1CC=C/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407729 MGQCINAZHWJLBS-AAGIXAJBSA-N 276.252 2.867 30 40 CFEB C[C@H](C(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](C)(C)C 100757758 MTKDXEQLJAGGHQ-NFFDBFGFSA-N 268.421 2.839 30 40 CFEB biogenic O=[N+]([O-])[C@H](/C=N/c1ccc(O)cc1)/C=N/c1nccs1 267925 JTGVGDXSAUJCQO-MRMPUKFBSA-N 290.304 2.599 30 40 CFEB CCOC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 20962408 NYVHBXSTJKZQBE-UHFFFAOYSA-N 286.331 2.886 30 40 CFEB N#CCN(CC#N)C(=O)c1cc(F)c(Cl)cc1Cl 71185898 BAALCOMLYZGGQB-UHFFFAOYSA-N 286.093 2.622 30 40 CFEB CC(=O)NC1=C(c2ccccc2)C(=O)c2ccccc21 1578991 XARUHHMJIVKCLR-UHFFFAOYSA-N 263.296 2.887 30 40 CFEB O=C([C@H]1O[C@H]1c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 4726436 GRMWHJVDGCIJSN-YYIAUSFCSA-N 266.296 2.836 30 40 CFEB N#Cc1cc2c(cc1C(=O)c1ccccc1)OCCO2 9028513 VUVRUDKJNGJNKR-UHFFFAOYSA-N 265.268 2.560 30 40 CFEB C[C@H]1CC=C/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100356350 MGQCINAZHWJLBS-JPPCOQANSA-N 276.252 2.867 30 40 CFEB C=CCN(CC=C)C(=O)COc1ccc(C)c(C)c1 12293673 ZKZNAVZFMHKNNE-UHFFFAOYSA-N 259.349 2.883 30 40 CFEB O=S1(=O)CC/C(=N\Nc2ccccc2)c2ccsc21 5683748 MSTPGDLNSPCRMX-NTCAYCPXSA-N 292.385 2.742 30 40 CFEB N#Cc1cccc(NC(=O)Cc2noc3ccccc23)c1 6836618 CJUYZYKMFWVYGH-UHFFFAOYSA-N 277.283 2.881 30 40 CFEB CN(Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1O 69533807 NANSOKZAPGOXIH-UHFFFAOYSA-N 297.314 2.804 30 40 CFEB C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 95406923 GJOQHZRLDCVYGQ-NHYWBVRUSA-N 285.372 2.655 30 40 CFEB CCCc1nc(S[C@@H](C)CC)nc(N)c1C#N 225891803 ZAKFRFNGPJGSCM-QMMMGPOBSA-N 250.371 2.774 30 40 CFEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccsc1 96435733 OHXMNHLHFJIEAO-UHFFFAOYSA-N 278.358 2.729 30 40 CFEB CC1(C)OB(c2ccc(OCC3CCC3)nc2)OC1(C)C 256050185 DBQRYXOJIJCTDJ-UHFFFAOYSA-N 289.184 2.560 30 40 CFEB COc1ccc(C#CCO[C@@H]2CCCCO2)cc1OC 95631953 RANKLNVWXVQSLW-MRXNPFEDSA-N 276.332 2.599 30 40 CFEB C/C(=N\Nc1nc(C)cc(C)n1)c1cnc2ccccc2n1 16283556 JHNWCFWQVZVODI-CIAFOILYSA-N 292.346 2.873 30 40 CFEB C#CCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 50025335 XHEKUONIEWMGAT-UHFFFAOYSA-N 264.737 2.760 30 40 CFEB C(=N\C[C@H]1COc2ccccc2O1)\c1ccc2c(c1)OCO2 100058738 XVIYZLYBGDVINE-WUQDTEKSSA-N 297.310 2.674 30 40 CFEB C#CCNC(=O)c1ccccc1OCc1cccc(C)c1 22690892 SUPLHARULVIHKC-UHFFFAOYSA-N 279.339 2.937 30 40 CFEB Cc1csc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1 7039110 DSRNRKYMGWYUPP-JTQLQIEISA-N 287.344 2.729 30 40 CFEB C=CCNC(=O)CSc1nc(C2CC2)nc2ccccc12 10940610 SOROPXIJFZESAQ-UHFFFAOYSA-N 299.399 2.902 30 40 CFEB C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCOC2)c1 102858173 RXTBALSEBDCVBL-OAHLLOKOSA-N 295.338 2.831 30 40 CFEB N#CCOc1cccc(NC(=O)NCc2ccco2)c1 48488638 LILDQDZBAZYAHF-UHFFFAOYSA-N 271.276 2.504 30 40 CFEB C/C(=N\c1ncc(S)[nH]1)c1cc2ccccc2oc1=O 68601449 BTWCYQZQHPSXDC-LZYBPNLTSA-N 285.328 2.946 30 40 CFEB COc1ccccc1SCC(=O)N[C@](C)(C#N)C(C)C 49372890 KGELDFQFHBEMDZ-OAHLLOKOSA-N 292.404 2.842 30 40 CFEB C#CCN(C(=O)/C=C/c1nccs1)C1CCCCC1 65778018 JTXHCYRGPDTTKI-CMDGGOBGSA-N 274.389 2.951 30 40 CFEB CC(C)N(CCNCc1ccc(C#N)cc1)C1CC1 71857601 CADROJGRPPSTIV-UHFFFAOYSA-N 257.381 2.521 30 40 CFEB N#Cc1ccc(NC2CCN(C(=O)C3CC3)CC2)c(F)c1 69419252 PKMKIONGQBSYKD-UHFFFAOYSA-N 287.338 2.510 30 40 CFEB Cc1cc(C)n(C2CN(Cc3ccc(C#N)cc3F)C2)n1 69534816 OMJSMSSXHLWODN-UHFFFAOYSA-N 284.338 2.568 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncccc1C#N 9910913 DZAXKRDNIAGRBG-VXGBXAGGSA-N 289.404 2.835 30 40 CFEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccs1 20638118 PHHDETKFLNKIQW-NOZJJQNGSA-N 294.339 2.779 30 40 CFEB Cc1occc1-c1nnc(Sc2ncccc2C#N)n1C 78744203 FXAYKOFKKHRWAA-UHFFFAOYSA-N 297.343 2.801 30 40 CFEB C[C@@H]1C[C@@]2(C)O[C@H]2CN1C(=O)OCc1ccccc1 242648795 RIRWBDVJTPSYDY-OSAQELSMSA-N 261.321 2.575 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)c1cccc(Cl)c1 3077366 UVIKXAKIQQZJIW-SSZFMOIBSA-N 275.691 2.938 30 40 CFEB O=C(O)c1ccccc1/C=N\N=C\c1ccccc1O 5030490 MNGDXHQRYJWATO-ZAGBYUSBSA-N 268.272 2.543 30 40 CFEB [N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n2c3c(cccc13)CCC2 16958350 LUGLUKWBGJUZFA-UHFFFAOYSA-N 271.236 2.798 30 40 CFEB COc1ccc(/C=N/N=C/c2ccco2)cc1OC 1709355 FAKJCAIHVZPCKQ-KAVGSWPWSA-N 258.277 2.750 30 40 CFEB Cc1cc(-c2ccccc2)nc(SCC(N)=O)c1C#N 495799 YGRIQMAVUCYRSG-UHFFFAOYSA-N 283.356 2.506 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccccc1 3900691 BHUGEYWWNUWAAY-LQTLPLJTSA-N 260.337 2.560 30 40 CFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccc(C)s1)CCO2 107720697 WRXTXSQVMPRTAD-BZUAXINKSA-N 293.432 2.991 30 40 CFEB CN(CCO)c1nc(-c2ccco2)c2c(c1C#N)CCCC2 20573712 KWKOZNFXJWQMTF-UHFFFAOYSA-N 297.358 2.521 30 40 CFEB C[C@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@H](C)O1 536202 DEUUDJDJZKLUJV-UWVGGRQHSA-N 289.360 2.888 30 40 CFEB aggregator COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 2632540 SWFFSSBGFMAOKN-LBPRGKRZSA-N 296.326 2.973 30 40 CFEB CS(=O)(=O)N(Cc1ccccc1)c1cccc(C#N)c1 23616987 YMMLMJQOPNXBTH-UHFFFAOYSA-N 286.356 2.524 30 40 CFEB N#Cc1ccccc1O[C@@H](C(=O)NC1CC1)c1ccccc1 12941491 WVZQYLCPLABJGF-QGZVFWFLSA-N 292.338 2.957 30 40 CFEB COCCNC(=S)NN=C1CCC(C(C)(C)C)CC1 5119925 NNTMDKNUEPJCBQ-UHFFFAOYSA-N 285.457 2.689 30 40 CFEB N#Cc1cnc(NC[C@@H](O)c2ccccc2)c(Cl)c1 69432698 CDFXRMCQUKLYKW-CYBMUJFWSA-N 273.723 2.752 30 40 CFEB COc1ccc([C@H](CO)N(C)Cc2ccc(C#N)cc2)cc1 71904387 MNSDUPKEEQQAOT-SFHVURJKSA-N 296.370 2.732 30 40 CFEB CC(C)(C#N)CCCN1CCC[C@@H]1[C@H](O)C(F)(F)F 95405869 KXMNHQPTVBCXHZ-MNOVXSKESA-N 278.318 2.704 30 40 CFEB N#Cc1cnc(N(C[C@H]2CCOC2)C2CC2)c(Cl)c1 95944371 XAUMUNRYBCYKRB-SNVBAGLBSA-N 277.755 2.612 30 40 CFEB COC(=O)COc1ccc(/C=N/Nc2ccccc2)cc1 409180593 XQWALURBSGWUES-GZTJUZNOSA-N 284.315 2.684 30 40 CFEB Cc1ccccc1CN1CCCN(C(=O)C(C)(C)C#N)CC1 55325947 ZWTPQRDQGFDNOZ-UHFFFAOYSA-N 299.418 2.579 30 40 CFEB CCCCC(=O)[C@H](C#N)c1nc2ccccc2n1C 16034508 VKDQOOHPXYDUIE-NSHDSACASA-N 255.321 2.940 30 40 CFEB C=CCN1CCC[C@@]2(CC1)CNCc1ccccc1O2 19015189 BFVGXAHDYQXYDW-QGZVFWFLSA-N 272.392 2.579 30 40 CFEB N#CCSc1nnc(NC(=O)Nc2ccccc2)s1 2150995 HJUVOPHNCCLTJQ-UHFFFAOYSA-N 291.361 2.798 30 40 CFEB CC(C)N1C(=O)/C(=N\Nc2ccccn2)c2ccccc21 102238879 FHFNLNJTOLFOHE-CYVLTUHYSA-N 280.331 2.653 30 40 CFEB Cc1csc2nc(COc3ccccc3C#N)cc(=O)n12 5216135 LUPPLOHGSQGBSE-UHFFFAOYSA-N 297.339 2.515 30 40 CFEB C=CCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69566422 CJSNNPLBMFVTTC-UHFFFAOYSA-N 285.303 2.839 30 40 CFEB COc1ccc(N/C(N)=N\C[C@H](OC)c2ccccc2)cc1 72272431 YUPKVUGBQBLIJL-INIZCTEOSA-N 299.374 2.810 30 40 CFEB CC1(C)[C@H]2CC[C@]1(C)C(=O)N/C2=N\C(=O)c1ccccc1 4701386 JYYVUMQUBHVWPC-YVEFUNNKSA-N 284.359 2.798 30 40 CFEB biogenic N#CCSc1ccccc1C(=O)NCc1cccnc1 40160345 DABBBGNVAHKQHW-UHFFFAOYSA-N 283.356 2.627 30 40 CFEB COCCn1c(C#N)cc(N)c1Oc1ccc(F)cc1 225883049 CYGRLMUVUPZBJW-UHFFFAOYSA-N 275.283 2.520 30 40 CFEB C=CCN1CCN(Cc2ccco2)Cc2cccnc21 96060946 ISCXBPNBJGJYJV-UHFFFAOYSA-N 269.348 2.683 30 40 CFEB C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(C)s1 96055801 FPOHTOUESWXARL-LSDHHAIUSA-N 262.422 2.891 30 40 CFEB CN(C)c1ccc([C@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95096021 GQPXTMIGBKTRCF-RYUDHWBXSA-N 275.270 2.771 30 40 CFEB N#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)c(Cl)c1 95397330 RLJKBVUIIAGJBC-UHFFFAOYSA-N 284.706 2.845 30 40 CFEB O=C(/C=C/c1ccc(O)cc1O)c1ccc(O)cc1 5037499 VDYSHUXENHRSOO-XBXARRHUSA-N 256.257 2.700 30 40 CFEB endogenous,in-man N#Cc1ccc(NC(=O)COc2ccccc2F)cc1 7966915 XVUCRHOCPOVEBK-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB C=CCNC(=S)NCCc1ccc(Cl)cc1 6262033 PWLJVXQFBXNMGU-UHFFFAOYSA-N 254.786 2.533 30 40 CFEB CCCC1(CCC)NC(=O)N(Cc2ccccc2C#N)C1=O 7005728 PURMQLZQUJGJQM-UHFFFAOYSA-N 299.374 2.949 30 40 CFEB COc1cc2c(cc1OC)C(=O)/C(=C/c1ccncc1)C2 22001732 SUVQWDLUAIFZKM-NTUHNPAUSA-N 281.311 2.921 30 40 CFEB in-vitro N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1 42251259 KDKRRQORUZOKFU-HOTGVXAUSA-N 256.349 2.702 30 40 CFEB N#Cc1c(F)cccc1NC1CCN(C(=O)C2CC2)CC1 36394941 YMUZFJBEHHFBIF-UHFFFAOYSA-N 287.338 2.510 30 40 CFEB N#Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 12615831 QJOHGRKGLDUWHP-UHFFFAOYSA-N 280.283 2.582 30 40 CFEB N#Cc1cccc(OCC(=O)NCCCc2ccccc2)c1 3408434 JRECQZJXEOHVDT-UHFFFAOYSA-N 294.354 2.686 30 40 CFEB C=CCn1c(S[C@H](C)C(=O)OC)nc2ccccc21 39978315 XSOQUNCFIUHGIH-SNVBAGLBSA-N 276.361 2.876 30 40 CFEB COc1ccc2oc(C(=O)O[C@@H](C)C#N)c(C)c2c1 4524847 BQNYKOSZSUVCGT-QMMMGPOBSA-N 259.261 2.819 30 40 CFEB CSC1=N[C@@H](c2ccco2)C(C(C)=O)=C(C)N1C 408732475 VLRCYYDSECYAMD-LBPRGKRZSA-N 264.350 2.848 30 40 CFEB Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccn1 9367686 OBABGPSRDFOURN-LBPRGKRZSA-N 281.315 2.668 30 40 CFEB N#Cc1ccccc1CN1CCCC[C@H]1Cn1cccn1 71875200 PLUTVQFLZMALJN-KRWDZBQOSA-N 280.375 2.809 30 40 CFEB Cc1cc(C)n([C@H](C)C(=O)N[C@H](C#N)c2ccsc2)n1 71847761 CCPKWPMFYVNBGL-DGCLKSJQSA-N 288.376 2.504 30 40 CFEB CC(C)O/N=C(/N)c1cccc(OCc2cccnc2)c1 95964934 WNCFYJRAPMLWDO-UHFFFAOYSA-N 285.347 2.706 30 40 CFEB CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CC#N)C1 503718070 DBVQSUIGLBJBBE-LBPRGKRZSA-N 275.352 2.769 30 40 CFEB N=c1ccn(/C=C/C(=O)c2ccc(Cl)cc2)cc1 409415805 BQCMFHGKYYVJHK-JXMROGBWSA-N 258.708 2.975 30 40 CFEB C=CCn1nc(I)c2ccccc21 218822724 XMAGUKPRYRNMPG-UHFFFAOYSA-N 284.100 2.827 30 40 CFEB C/N=C(/O)c1cccc(NCC[C@H]2CCOC2)c1C 331248470 NLZFFGIIPNJWEW-LBPRGKRZSA-N 262.353 2.768 30 40 CFEB C=CCN(C)C(=O)Nc1cccc(-n2nccc2C)c1 195571169 QUQQOOKNZOBHON-UHFFFAOYSA-N 270.336 2.830 30 40 CFEB CCN(CC)C(=O)c1cccc(Oc2nccnc2C#N)c1 96429599 SUVORQAMDAZDGL-UHFFFAOYSA-N 296.330 2.623 30 40 CFEB COc1ccc2cc(C(=O)/C=C\C(=O)O)ccc2c1 95727088 DEVFGGMZYONYBJ-SREVYHEPSA-N 256.257 2.672 30 40 CFEB C/C1=C\CC[C@@]23O[C@@H]2[C@@H](OC3=O)c2c(C)coc2C1 19816057 KBMSVODXFLAQNJ-DZYLTDJJSA-N 260.289 2.606 30 40 CFEB biogenic,in-vitro C=CCCn1ccn(-c2ccc(C)c(Cl)c2)c(=O)c1=O 1888882146 IKDKEFQJHDVAOX-UHFFFAOYSA-N 290.750 2.537 30 40 CFEB C=CCOc1ccc(CN[C@H](CC)CO)cc1OCC 6542138 MCYXXMPCKPLTJO-CQSZACIVSA-N 279.380 2.511 30 40 CFEB C=CCOc1ccc(Br)cc1[N+](=O)[O-] 42390023 XFUFDKHHPMPDRI-UHFFFAOYSA-N 258.071 2.922 30 40 CFEB N/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1 100447154 BDGHULKJYZFEBV-KAMYIIQDSA-N 251.285 2.595 30 40 CFEB CCN(CC(=O)NCc1cccc(C#N)c1)c1ccccc1 48326346 CRRZJBJCQSFUBY-UHFFFAOYSA-N 293.370 2.701 30 40 CFEB C[C@H](Oc1ccc(C(C)(C)C)cc1)/C(O)=N/S(C)(=O)=O 48479935 TZIZHONBCWAJCA-JTQLQIEISA-N 299.392 2.668 30 40 CFEB COc1cccc(/C=N/c2ccc3c(c2)OCO3)c1O 5273475 JVZQFONBVSMGLT-LZYBPNLTSA-N 271.272 2.880 30 40 CFEB N#CCCN(CCC#N)C(=S)Nc1ccc(F)cc1F 5559523 KTYQBFLFCXHZLJ-UHFFFAOYSA-N 294.330 2.791 30 40 CFEB CC(C)C[C@@H](NS(=O)(=O)CCCC#N)C(C)(C)C 84456894 XGLKBJNWACHEAR-GFCCVEGCSA-N 274.430 2.670 30 40 CFEB C[C@@H]1CN(C(=O)CSCC#N)c2cccc(Cl)c2O1 189835446 BXXMXXKZCKFOAL-SECBINFHSA-N 296.779 2.711 30 40 CFEB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(CC#N)C2 85398890 FSRFSLXWGWWDBH-DVVUODLYSA-N 258.159 2.605 30 40 CFEB NC(=O)COc1ccc(/C=N/c2ccccc2S)cc1 197725298 FEQRLPKVYASFJR-RQZCQDPDSA-N 286.356 2.590 30 40 CFEB CC(C)(CCC#N)CN1CCCN(c2nccs2)CC1 92483205 YLYGTSJJCOZMQH-UHFFFAOYSA-N 292.452 2.985 30 40 CFEB N#Cc1cccnc1NCCN1CCCc2ccccc21 54389062 RCWIUFFRKADDMM-UHFFFAOYSA-N 278.359 2.818 30 40 CFEB CCN(Cc1cc(F)ccc1C#N)[C@@H](C)COC 96468500 XPEURCOUFVOHPU-NSHDSACASA-N 250.317 2.554 30 40 CFEB C(=N/Oc1ncnc2ccccc12)\c1ccc2c(c1)OCO2 38043 BKQHURKDFQXAKU-UFWORHAWSA-N 293.282 2.771 30 40 CFEB O=C(O)c1ccc(/N=C\c2cccc([N+](=O)[O-])c2O)cc1 4530056 KLQIXNPZJXDJSQ-NVNXTCNLSA-N 286.243 2.749 30 40 CFEB CCOC(=O)C(C(C)=O)=C1SCCCCS1 47376 GVNQGCYUJHBXKJ-UHFFFAOYSA-N 260.380 2.610 30 40 CFEB COc1ccccc1[C@@H]1CCCC[C@@H]1OS(C)(=O)=O 1706503 CDHJSKARSRJTES-JSGCOSHPSA-N 284.377 2.698 30 40 CFEB C=C(C)CN1CCC(NC(=O)CCc2ccccc2)CC1 47894135 QHLSATZAGZDIPR-UHFFFAOYSA-N 286.419 2.776 30 40 CFEB CC#CCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 78959013 LKUUPJHGUBPOPP-UHFFFAOYSA-N 292.260 2.952 30 40 CFEB C/C(=N\Nc1nncc2ccccc12)c1ccc[nH]1 57415686 PBGXXRUADGMJOH-LICLKQGHSA-N 251.293 2.794 30 40 CFEB N#Cc1ccc(OCC(=O)C2CCOCC2)c(Cl)c1 92255763 SRZFCSBLTXAIGZ-UHFFFAOYSA-N 279.723 2.586 30 40 CFEB COc1cccc(OC)c1C(=O)OCc1ccccc1C#N 7005269 OAZHSZCVFDXBCC-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB C=CCNC(=S)N/N=C\c1ccc(Cl)cc1Cl 19792985 QHOKAGVYFAEXRV-CHHVJCJISA-N 288.203 2.977 30 40 CFEB CC(=O)NCCCNc1ccc(C(F)(F)F)c(C#N)c1 97144435 CRVGGWNNVOPCTL-UHFFFAOYSA-N 285.269 2.515 30 40 CFEB CCOc1cccc(/N=C\c2ccc(OCC(N)=O)cc2)c1 408964272 QIMMFVWCJCECMY-ODLFYWEKSA-N 298.342 2.700 30 40 CFEB C[C@@H](NC(C)(C)CNc1cnc(C#N)cn1)c1ccccc1 123711946 GWGSWWURYAFCGP-CYBMUJFWSA-N 295.390 2.890 30 40 CFEB C[C@H](CNc1nccnc1C#N)Cc1cccs1 96429676 BHPOCIIVZWDVIE-JTQLQIEISA-N 258.350 2.700 30 40 CFEB CC[C@@H](C)S(=O)(=O)/N=C(\O)C1CCC(F)(F)CC1 96502362 KMYRUFKDRTVLLD-MRVPVSSYSA-N 283.340 2.897 30 40 CFEB C=CCSc1ccccc1NC(=O)N1CCC(O)CC1 40526817 MWXWKORIDUKGJR-UHFFFAOYSA-N 292.404 2.953 30 40 CFEB N#CC1(C#N)[C@@H](c2ccccc2)C=CC12OCCCO2 1617764 PICWVYBQSYUNDQ-CQSZACIVSA-N 266.300 2.507 30 40 CFEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/O 12488941 FQPQCDCWEZMGBC-LFIBNONCSA-N 270.336 2.589 30 40 CFEB COCC(=O)OCc1ccc(-c2ccccc2C#N)cc1 23446957 KIISQBBJJMKQNP-UHFFFAOYSA-N 281.311 2.915 30 40 CFEB N#CCC[C@@H](C#N)CSc1nnc(NC2CC2)s1 12750543 ZTOPYTVMFTYEBT-QMMMGPOBSA-N 279.394 2.648 30 40 CFEB S=C(NCc1ccccc1)N/N=C1/C[C@H]2CC=C[C@@H]12 36223785 ABOXPRAGRAKURS-QXSGKPNDSA-N 271.389 2.603 30 40 CFEB N#Cc1ccc(NC(=O)NCc2cccc(O)c2)cc1 38032339 XRTIGOMHNBLZDS-UHFFFAOYSA-N 267.288 2.586 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccccc1OC 408707441 AZGHAGSTUWYWQC-UHFFFAOYSA-N 292.379 2.720 30 40 CFEB CC(=O)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1 13147524 RYGSFVIUECDRSU-LICLKQGHSA-N 282.347 2.876 30 40 CFEB Cc1[nH]c2ccc(C(=O)NC3(C#N)CCC3)cc2c1C 63476995 BQJHMYMWSSDSID-UHFFFAOYSA-N 267.332 2.961 30 40 CFEB N#CCCSc1nc2ccccc2n1CCC#N 4550809 UFOXGVZBOGQSKF-UHFFFAOYSA-N 256.334 2.956 30 40 CFEB CN(CC(=O)Nc1sccc1C#N)c1ccccc1 5898897 WJHRRWVQRMKNLG-UHFFFAOYSA-N 271.345 2.695 30 40 CFEB N#Cc1ccc(/C=N\Nc2nc3ccccc3[nH]2)cc1 32926529 LXWQUTASHSDKGA-YVLHZVERSA-N 261.288 2.881 30 40 CFEB O=C(NO)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226289988 QYWHJXFWFIGYDY-UHFFFAOYSA-N 282.639 2.627 30 40 CFEB CC(=N\Nc1ccccc1)/C(=N/O)C(=O)Nc1ccccc1 84460077 IQRAHLCXWWBGLE-ULERMCTBSA-N 296.330 2.943 30 40 CFEB CCCn1nc(Cc2cccc(C)c2)c(C#N)c1N 225830601 RSZPRXSJMKXCDA-UHFFFAOYSA-N 254.337 2.646 30 40 CFEB CC(C)(C)[C@@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 90060269 UAHPQOKWHRLYDB-CYBMUJFWSA-N 287.363 2.681 30 40 CFEB CN(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 1093411 SQAAJBIKFNALQJ-MHWRWJLKSA-N 256.305 2.914 30 40 CFEB CN(C)C[C@@H]1CCC/C1=N/OC(=O)c1ccccc1 5808148 BPNOHIZSXDLBDZ-YXNALHSASA-N 260.337 2.561 30 40 CFEB C=C(C)CN1CCC(C(=O)Nc2ccccc2)CC1 32764849 CYVUMLXTFZHOAN-UHFFFAOYSA-N 258.365 2.913 30 40 CFEB C/C(=N\O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 12505829 BCPJIJAWQBVCDI-CNHKJKLMSA-N 284.241 2.793 30 40 CFEB C=CCN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O 1387472 CGJNSCLEVFRBJB-QPJJXVBHSA-N 270.332 2.873 30 40 CFEB C=CCn1cccc(C(=O)Nc2ccc(C)c(C)c2)c1=O 1400207 RVHBSTSITKZNSL-UHFFFAOYSA-N 282.343 2.903 30 40 CFEB CCn1c(C(=O)N(C)CCC#N)cc2ccccc21 58065630 ZMMYLSZWBYDRJX-UHFFFAOYSA-N 255.321 2.647 30 40 CFEB C=CCn1cnnc1SCC(=O)c1cc(F)ccc1F 48331714 FHQYJWXUKUDCGP-UHFFFAOYSA-N 295.314 2.717 30 40 CFEB CCO[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 60372332 FKXZWKBHTZFBQX-LLVKDONJSA-N 265.744 2.612 30 40 CFEB C=CCNC(=S)Nc1cnn(Cc2cccc(F)c2)c1 2803102 UGKZKGOCFVNCPZ-UHFFFAOYSA-N 290.367 2.543 30 40 CFEB Cc1cccnc1NC(=O)/C=C/c1cccc(C#N)c1 48782472 SDTGOGRBCGONMC-BQYQJAHWSA-N 263.300 2.914 30 40 CFEB C=CCN(Cc1nc(CCOC)no1)Cc1cccs1 65553346 FVCNQVGIXKJPEX-UHFFFAOYSA-N 293.392 2.508 30 40 CFEB COc1ccc(O)c(/C=N/Nc2ccc(C(=O)O)cc2)c1 7890675 ZJPSTBBEHKKXHG-CXUHLZMHSA-N 286.287 2.545 30 40 CFEB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C#N)cn1 84456995 RADBENDWZAXQGJ-GFCCVEGCSA-N 275.352 2.733 30 40 CFEB CC(C)(C)c1nn(Cc2ccccc2)c(N)c1C#N 225838464 FCBCPRUZVRLSDC-UHFFFAOYSA-N 254.337 2.683 30 40 CFEB Cc1cnc(SCCOc2cccc(C#N)c2)nc1 48353423 WOFCJPOJGYYOEZ-UHFFFAOYSA-N 271.345 2.828 30 40 CFEB CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1(C)C 332061410 YBPAGOBCYINCEH-VPWBDBDCSA-N 293.411 2.524 30 40 CFEB COc1cccc([C@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095945 CZQQVBYEPDZIKZ-QWRGUYRKSA-N 262.227 2.714 30 40 CFEB COc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95095914 XZHWBWSJQDEWON-WDEREUQCSA-N 262.227 2.714 30 40 CFEB CCN(CC)c1nn(-c2cc(C)ccc2C)nc1C#N 256048354 SKOWHWKNFLFHJL-UHFFFAOYSA-N 269.352 2.602 30 40 CFEB CC(C)Cn1c(C#N)cc(N)c1N1CCC[C@H](C)C1 260825800 DGBDANPKGNZPOY-LBPRGKRZSA-N 260.385 2.834 30 40 CFEB CC(C)N(CC#CCNC(=O)[C@H]1CC=CCC1)C(C)C 75164508 SETCHEIQLZIWPR-INIZCTEOSA-N 276.424 2.581 30 40 CFEB CC1=C(C)C[C@H]2C(=O)C=C([C@H](O)CC(C)C)C(=O)[C@H]2C1 5431398 KWNHRELNXGRZAG-VNHYZAJKSA-N 276.376 2.834 30 40 CFEB COc1cc(/C=N/Nc2ccccc2)cc([N+](=O)[O-])c1O 16195096 HMPKBHDZCBABNT-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB COC(=O)c1sccc1N/C=C/C(=O)C(F)(F)F 100278047 HDABUFKRZWXZQN-DUXPYHPUSA-N 279.239 2.592 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1cc(OC)c(C)cc1C 41091932 IUNHXKUJHNXXFP-UHFFFAOYSA-N 295.404 2.675 30 40 CFEB COc1ccc([C@H]2CC=C[C@H](OC)C2(C#N)C#N)cc1 340824 CHYXEGYOWCRWJX-CABCVRRESA-N 268.316 2.787 30 40 CFEB N#Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 38867 VSAWIOIBVHRRKX-UHFFFAOYSA-N 267.244 2.719 30 40 CFEB COC(=O)c1ccccc1/N=C1\C(=O)N(C)c2ccccc21 105426997 IANSWROLAQUUAX-SDXDJHTJSA-N 294.310 2.570 30 40 CFEB COc1cc(C(=O)N(C)C[C@H](C)C#N)ccc1OC(C)C 58380934 JQLYSDQRZUWAFE-GFCCVEGCSA-N 290.363 2.714 30 40 CFEB Cc1ccc(C(=O)OCC#N)cc1NC(=O)c1ccco1 3488146 HNJPVDIFHUTFLY-UHFFFAOYSA-N 284.271 2.521 30 40 CFEB Cc1ccsc1/C=N\Nc1ccc([N+](=O)[O-])cn1 408749374 GIFZTBCGCLLWAJ-QPEQYQDCSA-N 262.294 2.806 30 40 CFEB CC(C)=NN1C(c2ccc([N+](=O)[O-])cc2)=NOC1(C)C 5290904 UOOSYMHFZFFWDM-UHFFFAOYSA-N 276.296 2.721 30 40 CFEB C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1 7308041 ULSFMUDMJNWTPH-GFCCVEGCSA-N 286.356 2.598 30 40 CFEB COc1cc2c(cc1/C=N\c1cccc(C(=O)O)c1)OCO2 409097607 MQZDZVBFWWHSIR-IUXPMGMMSA-N 299.282 2.873 30 40 CFEB CS(=O)(=O)/N=C(\O)C1CCC(c2ccccc2)CC1 76758609 SLYUNCRLRUJYCH-UHFFFAOYSA-N 281.377 2.877 30 40 CFEB CC(C)[C@H](C#N)NC(=O)[C@H]1CSc2ccccc21 83774598 PRECBHFHICUMTC-RYUDHWBXSA-N 260.362 2.540 30 40 CFEB N#C[C@H](Cc1cccc(-c2ccccn2)c1)C(=O)O 585656332 UDHZHXZNFCMQAI-ZDUSSCGKSA-N 252.273 2.515 30 40 CFEB O=C1C=C/C(=N\N=C(c2ccccc2)c2ccccc2)O1 1636682 QYPGCGPUCBQSKZ-OBGWFSINSA-N 276.295 2.951 30 40 CFEB Oc1ccc(/C=N\Nc2nc3ccccc3[nH]2)cc1 31939353 LQCHWOVOTNHORM-DHDCSXOGSA-N 252.277 2.715 30 40 CFEB COCc1ccccc1CNc1ncccc1C#N 26719281 MIQKFGYKTFUDPR-UHFFFAOYSA-N 253.305 2.712 30 40 CFEB C=C[C@@H](C1=CC(=O)C(OC)=CC1=O)c1ccccc1 899887 RGSUZUQISVAJJF-GFCCVEGCSA-N 254.285 2.565 30 40 CFEB biogenic,in-vitro C#CCNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 21903285 NFFSOLFZNRQOOW-UHFFFAOYSA-N 287.750 2.506 30 40 CFEB COC(=O)c1ccoc1COc1ccccc1C#N 23447605 XMTYSYJVEWAXKY-UHFFFAOYSA-N 257.245 2.517 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 54530361 OACYRMNILFDXQV-CHWSQXEVSA-N 271.364 2.760 30 40 CFEB Cc1nnc(N(C)Cc2cccc(F)c2)c(C#N)c1C 24053306 CPEGBVUZEHVITR-UHFFFAOYSA-N 270.311 2.741 30 40 CFEB CCOc1ncccc1C(=O)Oc1ccc(C#N)cc1OC 6310149 AOKQWDXVHZLMMZ-UHFFFAOYSA-N 298.298 2.580 30 40 CFEB c1ccc2c(N/N=C3/CCn4cccc43)nncc2c1 55349998 SSPKMLYFJPCFED-LGMDPLHJSA-N 263.304 2.651 30 40 CFEB O=C(O)COc1ccc(/C=N\C2CCCCC2)cc1 101557730 IEFCYFNXJJKSIC-YBEGLDIGSA-N 261.321 2.902 30 40 CFEB Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCO2 6526090 PTBGBTLIKQQIMA-AATRIKPKSA-N 284.315 2.662 30 40 CFEB N#CCSc1nc(-c2ccccc2Br)n[nH]1 7252208 TYRZGEJAYJCQAB-UHFFFAOYSA-N 295.165 2.850 30 40 CFEB N#Cc1ccccc1CSCCNC(=O)c1ccccn1 7648974 UCABBBJLWCNWSI-UHFFFAOYSA-N 297.383 2.616 30 40 CFEB CO[C@@H](C)C(=O)N(CC1CC1)c1cc(Cl)ccc1C#N 83888364 UCHNFCHPMHLYCS-JTQLQIEISA-N 292.766 2.990 30 40 CFEB N#Cc1cc2c(nc1NC(=O)COC1CCCCC1)CCC2 89818215 OJDBZBYKRCODDI-UHFFFAOYSA-N 299.374 2.730 30 40 CFEB CCCCCCCCC/C=C/[C@H](O)[C@H](N)C(=O)OCC 504201966 KLGSSMZKPJPOGR-SWBCYVRMSA-N 285.428 2.935 30 40 CFEB CC(=O)C1=CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1 31841824 ZDOXZXFUEQNHHH-MRXNPFEDSA-N 266.344 2.986 30 40 CFEB Cc1cccc(Cn2c(C)cc(C)c(C#N)c2=O)c1 49839372 PHTAIBQLPZZRFN-UHFFFAOYSA-N 252.317 2.694 30 40 CFEB C#Cc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1 43985838 YHEJIFCRTRVDDJ-GFCCVEGCSA-N 265.316 2.946 30 40 CFEB N#Cc1cccc(OCCS/C(N)=N\C2CCCC2)c1 55062252 JMYQXDIMTOEVBS-UHFFFAOYSA-N 289.404 2.928 30 40 CFEB N#CCSc1nnc(-c2c[nH]c3ccccc23)o1 15934665 UQOMDHKKKLMPLK-UHFFFAOYSA-N 256.290 2.834 30 40 CFEB Cc1ccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)cc1 2601608 CANZUVXXBXWVHC-CQSZACIVSA-N 272.373 2.521 30 40 CFEB C=CCCn1ccn(-c2ccc(C(C)C)cc2)c(=O)c1=O 1888882288 TZJOFBVFLGXARN-UHFFFAOYSA-N 284.359 2.699 30 40 CFEB COc1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1 1707102 MBPNUUNXLNZOPC-UHFFFAOYSA-N 279.295 2.914 30 40 CFEB CCN1/C(=N/c2ccc(O)cc2)SC/C1=C\C(=O)OC 100841045 HJQWVJHGVLPNSG-DAVLCYDUSA-N 292.360 2.505 30 40 CFEB C[C@@H]1CCc2nc(N)c(C#N)c(-c3cccn3C)c2C1 20479697 TUUINOLHOAIXHZ-SNVBAGLBSA-N 266.348 2.666 30 40 CFEB S=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)NC1CCCCC1 35418452 UFVKCCIMTCMUOY-ZUZJPYFPSA-N 263.410 2.735 30 40 CFEB O=C1CCCC(=O)C1=NNc1ccc(C(F)(F)F)cc1 107896747 POQKEQIFTSSEEN-UHFFFAOYSA-N 284.237 2.795 30 40 CFEB O=C(O/N=C1/Sc2ccccc2C1=O)c1ccco1 5053999 QTCRIMUYJIBZMB-WYMLVPIESA-N 273.269 2.739 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CCC2 65880766 YTBBCVWFWJQYGK-LBPRGKRZSA-N 293.370 2.955 30 40 CFEB N#Cc1ccc(OCc2nc3ccccc3c(=O)[nH]2)cc1F 66749454 JYSOHFHQXANNHV-UHFFFAOYSA-N 295.273 2.513 30 40 CFEB CCOC(=O)[C@@H]1O[C@@]1(C)c1cccc(Br)c1 85657698 SWPUQKJOQHZAJP-JQWIXIFHSA-N 285.137 2.626 30 40 CFEB N#CCN(Cc1ccc2c(c1)CCO2)C1CCCC1 69537716 KKXAUKFCOXFACH-UHFFFAOYSA-N 256.349 2.890 30 40 CFEB C=C(C)CSCC(=O)Nc1ccc(C(=O)N(C)C)cc1 89914071 ZBRXIGCMHACTCZ-UHFFFAOYSA-N 292.404 2.636 30 40 CFEB Cc1sc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(C#N)c1C 18098530 YNJUGKHCEOIJOA-NIFPGPBJSA-N 298.367 2.548 30 40 CFEB Oc1cccc(/C=N\n2c(S)nnc2-c2ccccc2)c1 4680449 YTDCANSRQNUQRX-YBEGLDIGSA-N 296.355 2.822 30 40 CFEB C#CCn1/c(=N/C(=O)CC)sc2cccc(Cl)c21 100910284 HYTLAIUUBVJKAH-SQFISAMPSA-N 278.764 2.827 30 40 CFEB N#Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1 40553585 ZFILWMIVSZUNAV-UHFFFAOYSA-N 297.383 2.888 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cccc(C)c2)c1 41636934 VGDPAOQTUYHZCH-UHFFFAOYSA-N 271.341 2.777 30 40 CFEB CN/C(S)=N/N=C\c1ccccc1C(F)(F)F 12416477 YWHBAHSHAGGGPD-UUASQNMZSA-N 261.272 2.545 30 40 CFEB COc1cccc(C#C[C@@]2(O)CCC[C@@H]3C(=O)CCC[C@@H]32)c1 392962 ZENPXSROBMXPQX-LNLFQRSKSA-N 298.382 2.947 30 40 CFEB Cc1nn(-c2ccccc2)c(COC(=O)C2CCC2)c1C#N 26902258 WPXBONKOJHSJGJ-UHFFFAOYSA-N 295.342 2.896 30 40 CFEB CC[C@@](C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)[C@@H](C)O 97145294 LCXMNNZSFKMLEK-YGRLFVJLSA-N 277.324 2.675 30 40 CFEB CN(CC#N)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 60294285 HONVKIGJBZNYAO-UHFFFAOYSA-N 270.376 2.998 30 40 CFEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1O 408751129 WWIXVDCCTYQHCQ-MFOYZWKCSA-N 298.302 2.870 30 40 CFEB N#Cc1ccc(C(=O)Oc2cccnc2Cl)cc1 6220393 RXWMHJBZRPBZEG-UHFFFAOYSA-N 258.664 2.826 30 40 CFEB N#Cc1ccc(C(=O)NCCOc2ccccc2F)cc1 14869188 IVOMIARHPSCYQU-UHFFFAOYSA-N 284.290 2.506 30 40 CFEB CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1CCCO1 96449590 MVONJEGLTGLQEQ-ZDUSSCGKSA-N 287.363 2.888 30 40 CFEB C=C(C)Cn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O 7043754 KGUXCYVDOYDSCX-UHFFFAOYSA-N 292.360 2.652 30 40 CFEB N#Cc1ccccc1OCC(=O)c1ccc2c(c1)OCCO2 7988316 OSOWWMYHBACGQE-UHFFFAOYSA-N 295.294 2.591 30 40 CFEB O=C(/C=C/c1cccnc1)c1ccc(-n2cncn2)cc1 8446779 PLLNLXVEXWVZGZ-FPYGCLRLSA-N 276.299 2.558 30 40 CFEB Cc1nn(C)c(C)c1OCCOc1ccc(CC#N)cc1 89512259 MEEBNRMPBMHRCO-UHFFFAOYSA-N 285.347 2.561 30 40 CFEB COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)c1 409105306 MNSVSQNTIFAHCC-CXUHLZMHSA-N 286.291 2.753 30 40 CFEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)c(F)c1 36390570 XLGGHJZXYURGPF-OAHLLOKOSA-N 277.343 2.601 30 40 CFEB CC1=C/C(=N\C(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC1=O 16779799 YEZGHBWQSQSNEZ-DTQAZKPQSA-N 284.271 2.651 30 40 CFEB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(C#N)cc1 32779430 VIKDYQJXDFQRMK-TXEJJXNPSA-N 272.352 2.858 30 40 CFEB Cc1ccccc1[C@@H]1N=C(S)NC2=C1C(=O)CCC2 2601627 CMARILCJUOSUMY-AWEZNQCLSA-N 272.373 2.932 30 40 CFEB COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 40024788 LZCQKDQPRDKNFL-UHFFFAOYSA-N 254.245 2.532 30 40 CFEB CN(C1=CC(=O)C(=O)c2ccccc21)c1ccccc1 1707053 GFOFRGPKZHUQDS-UHFFFAOYSA-N 263.296 2.929 30 40 CFEB C=C(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4026772 NCRJWESTCYMYTR-NNKZFNQJSA-N 252.378 2.515 30 40 CFEB CC(C)/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccccc1 4715331 DHMKSTVYHPETIK-QGOAFFKASA-N 290.754 2.896 30 40 CFEB CC(=O)/C(=C/C1=CCCO1)C(=O)Nc1ccccc1C 8653084 VLKGWHAWNPAHOX-UVTDQMKNSA-N 271.316 2.753 30 40 CFEB COc1ccc(-c2nnc(S[C@@H](C)C#N)o2)c(OC)c1 5392091 OSAKTOSKLBARDK-QMMMGPOBSA-N 291.332 2.758 30 40 CFEB O=C1CCc2cc(C(=O)/C=C/c3cccnc3)ccc2N1 65621313 ACJKEGGFIXZTSK-XVNBXDOJSA-N 278.311 2.862 30 40 CFEB C[C@H]1Oc2ccccc2CN(c2cccc(C#N)c2)C1=O 64542448 ZIKLXWOADBJGRL-GFCCVEGCSA-N 278.311 2.872 30 40 CFEB N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 7057262 YSYFJUJDKFXLFP-UHFFFAOYSA-N 298.367 2.848 30 40 CFEB CC[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 97111087 OZZDEXYJXNPOQV-GJZGRUSLSA-N 262.328 2.745 30 40 CFEB CCCCN1C(=O)/C(=N\O)c2cccc(Cl)c21 46084717 BJLCIPQXEIRWSZ-UVTDQMKNSA-N 252.701 2.665 30 40 CFEB N#CC1(C(=O)Nc2ccc(CCC(=O)O)cc2)CCCC1 95989536 MGDMBJZDCYJXJU-UHFFFAOYSA-N 286.331 2.726 30 40 CFEB CSc1ccccc1C(=O)Nc1ccc(C#N)cn1 96474330 ACKIHEUJSBDEJE-UHFFFAOYSA-N 269.329 2.927 30 40 CFEB CC1(C)O[C@@H](C=O)[C@H]2CCc3c(O)cccc3[C@]2(C)O1 5028832 HYPQDBFRLCYFJP-INWMFGNUSA-N 276.332 2.520 30 40 CFEB Nc1cccc[n+]1/C=C/C(=O)c1ccc(Cl)cc1 5945709 NIZXAVDTSJHHMY-CSKARUKUSA-O 259.716 2.563 30 40 CFEB N#Cc1cccc(OCC(=O)N2CCc3ccccc3C2)c1 6401713 QRGMHLMNOWNHPD-UHFFFAOYSA-N 292.338 2.522 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 22761075 ATEJEYMIFOEIQX-UHFFFAOYSA-N 266.256 2.828 30 40 CFEB N#Cc1ccc2c(c1)C(=O)O[C@@H]2c1ccc(F)cc1 22059491 VVXGNGGTQDOLGK-CQSZACIVSA-N 253.232 2.957 30 40 CFEB in-vitro CN(C)c1ccc2c(c1)SC1=CC(=[N+](C)C)C=C[C@H]1N2 406665 XKBFTTQXFRJRLT-CYBMUJFWSA-N 286.424 2.806 30 40 CFEB C=C(C)CSc1nnc(-c2ccc(OCC)cc2)n1N 528396 POZKLBDFTRCKJL-UHFFFAOYSA-N 290.392 2.726 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)[C@H]1CC=CCC1 47341145 PCEGBXVFAPXXJS-LBPRGKRZSA-N 287.338 2.582 30 40 CFEB Cc1ccccc1[C@H]1CCCC[C@H]1OS(C)(=O)=O 1706504 LHBMHKCBYLAOCR-ZIAGYGMSSA-N 268.378 2.997 30 40 CFEB Cc1cc(C)c(C#N)c(Sc2nnc(C)s2)n1 12534698 GJDJTXYAXCSTAN-UHFFFAOYSA-N 262.363 2.881 30 40 CFEB CCOC(=O)N/C=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 100364369 APACOMOGYGDSLN-QJMGFWLPSA-N 251.326 2.642 30 40 CFEB Cc1ccc(C(=O)C2CCN(CC#N)CC2)c(C)c1 26643394 WHXNSEBOZYGYRD-UHFFFAOYSA-N 256.349 2.722 30 40 CFEB Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 95425709 CAPFVIOJYQZXMF-SECBINFHSA-N 285.307 2.541 30 40 CFEB Cc1c(C(=O)N(CC#N)CC#N)sc2cccc(F)c12 58201599 NHCXXQWBOMWGPR-UHFFFAOYSA-N 287.319 2.838 30 40 CFEB C[C@@H](C#N)SC1=NN/C(=C2\C=Nc3ccccc32)O1 103085411 LQNQAPALCFILAE-UGFBRPNYSA-N 270.317 2.607 30 40 CFEB Cc1nc(NC(=O)COc2cccc(C#N)c2)sc1C 48333079 BUACZBCBTBBBDH-UHFFFAOYSA-N 287.344 2.649 30 40 CFEB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2)c1C 2658881 AHPCSBGALZBSDT-UHFFFAOYSA-N 296.326 2.968 30 40 CFEB O=C1Nc2cc3oc4ccccc4c3cc2/C1=N/O 6000127 RXRWHZUDKAXLEQ-UHFFFAOYSA-N 252.229 2.716 30 40 CFEB biogenic CC[C@H](CC#N)NC(=O)c1cc(C)c(F)cc1F 96009274 UXAKOUXIOBTNMZ-SECBINFHSA-N 252.264 2.695 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2cccc(F)c2)nc1 408748741 BZEOOQOQWDPVJG-CHHVJCJISA-N 260.228 2.575 30 40 CFEB C=CCn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 6759433 GDMGNFHNVFJFHG-UHFFFAOYSA-N 284.359 2.854 30 40 CFEB N#Cc1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 9836472 HKFDPQDTJJVFBT-QGZVFWFLSA-N 292.338 2.741 30 40 CFEB Cn1cc(N2CCC[C@@H](Nc3cccc(F)c3C#N)C2)cn1 98013791 YWGJTRXPRDSQPU-GFCCVEGCSA-N 299.353 2.512 30 40 CFEB C=C(C)CN(CC)C(=O)[C@H](C)Sc1cc(C#N)ccn1 77908817 ZLMFXUFXUQSHAC-LBPRGKRZSA-N 289.404 2.858 30 40 CFEB N#Cc1ncn(Cc2ccccc2Oc2ccccc2)n1 21914534 QKBYPKDATJXAMT-UHFFFAOYSA-N 276.299 2.990 30 40 CFEB COC[C@@H](C)Oc1c(N)cc(C#N)n1Cc1cccc(C)c1 225877401 UTDHRQWKXUKVSC-CYBMUJFWSA-N 299.374 2.712 30 40 CFEB C[C@@H](Cn1cncn1)Nc1ccc(C(F)(F)F)c(C#N)c1 97104587 MIRSYPITNQVNOI-VIFPVBQESA-N 295.268 2.669 30 40 CFEB CC(C)Cc1c(C#N)c(Cl)nc2c1CN(C)CC2 96511126 MQISKFNDFZFCGT-UHFFFAOYSA-N 263.772 2.793 30 40 CFEB CCc1cc(CN[C@@H](C)c2cccc(C#N)c2)on1 195550626 JLELBADANUHMTE-NSHDSACASA-N 255.321 2.959 30 40 CFEB CC(=O)C(=NNc1cc(Cl)ccc1Cl)C(C)=O 5291015 VYXLVYBUDGETJT-UHFFFAOYSA-N 273.119 2.939 30 40 CFEB C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1C/C(=N/O)[C@@H]2O 5004942 FYVXSFWTEDENGI-OYMSUBGUSA-N 299.370 2.969 30 40 CFEB C/C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=N/O 17002727 PUSDKNAQCQFZBD-DXNYSGJVSA-N 272.025 2.621 30 40 CFEB C=C(C(=O)OC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(C)(F)F 103548364 ZVASJEUBGVEDCR-WZWWUGBPSA-N 286.318 2.825 30 40 CFEB Cc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)cc1 2170035 HYACJSQRJBCQDO-UHFFFAOYSA-N 287.340 2.829 30 40 CFEB CC1CCC2(CC1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O 2619721 QHBGAVKFAQPRLG-UHFFFAOYSA-N 297.358 2.559 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(F)cc1 101410565 HHNJPQMGMHFDGQ-UKTHLTGXSA-N 283.258 2.923 30 40 CFEB C=CCn1c(SCc2ccccc2)nccc1=O 1569486 UYGGYGZRAQYPKI-UHFFFAOYSA-N 258.346 2.722 30 40 CFEB O=C([C@H]1O[C@H]1c1ccccc1)[C@@H]1O[C@H]1c1ccccc1 4726435 GRMWHJVDGCIJSN-LUKYLMHMSA-N 266.296 2.836 30 40 CFEB OCC/N=C1/CCCc2c1[nH]c1ccc(Cl)cc21 100115760 KMMKFMIWVAXWMH-SSZFMOIBSA-N 262.740 2.939 30 40 CFEB N#Cc1cnc2c(-c3ccc(Cl)cc3)cnn2c1N 4178375 RNUSUTCFZWUDFS-UHFFFAOYSA-N 269.695 2.504 30 40 CFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1c(C)nn(C)c1C 96291622 JJCFBJXKYQVJPG-CXUHLZMHSA-N 286.335 2.571 30 40 CFEB CCCN(C)c1ccc(C(=O)N[C@@H](C#N)CC)cc1 69464756 LBCLLDAJMWWSBW-CYBMUJFWSA-N 259.353 2.565 30 40 CFEB N#CC1(NC(=O)CSc2ccc(F)cc2)CCCC1 4564169 GRNXCRXMMDQPPV-UHFFFAOYSA-N 278.352 2.870 30 40 CFEB CCCCCCCCCCN1C[C@@H](O)C[C@H]1C(=O)O 71788272 XBCGWWQLHODWNX-KBPBESRZSA-N 271.401 2.647 30 40 CFEB C=CCNC(=S)Nc1ccc(Cl)c(C(=O)OCC)c1 225277234 MJPMBKFWNYKPOA-UHFFFAOYSA-N 298.795 2.989 30 40 CFEB COC(=O)[C@@H]1O[C@]1(C)c1ccc(Cl)c(Cl)c1 85657634 PUDPDUDWUQLGDN-GXSJLCMTSA-N 261.104 2.780 30 40 CFEB CCOCCOc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225876594 WYEQNWLALJRNAI-UHFFFAOYSA-N 299.374 2.714 30 40 CFEB CO/N=C/CC(=O)Oc1ccc(Cl)cc1Cl 4073761 MCEAWPRUUWTDPQ-WLRTZDKTSA-N 262.092 2.921 30 40 CFEB CCOC(=O)/C(=C/c1ccccc1Cl)C(C)=O 1673690 QXQWIOZONGXWQO-DHZHZOJOSA-N 252.697 2.876 30 40 CFEB Cc1ccccc1OCC(=O)Nc1sccc1C#N 7796919 IASMJTYMEYOLDK-UHFFFAOYSA-N 272.329 2.946 30 40 CFEB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3O/C2=N\O)c1 12471276 WJLCNPZXLWPICM-RMYFCYLKSA-N 296.326 2.973 30 40 CFEB N#C[C@H](C(=O)N1CCCCC1)C(=S)Nc1ccccc1 523476 RDXJWYGZRBFVMD-ZDUSSCGKSA-N 287.388 2.578 30 40 CFEB N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(N)=O 34963 VBVPAIJWTKBXGW-UHFFFAOYSA-N 299.355 2.668 30 40 CFEB Cn1c(CC#N)ccc1C(=O)C(Cl)(Cl)Cl 3069934 IJKQRELRQDOFFA-UHFFFAOYSA-N 265.527 2.644 30 40 CFEB C=CCc1ccc(OC[C@H]2CCCNC2)c(OC)c1 42775557 DXKQIUGGXZLPEC-AWEZNQCLSA-N 261.365 2.802 30 40 CFEB C#CCOCOCC#CCN(CCCC)CCCC 3156497 KLLJUTRQSGUSDV-UHFFFAOYSA-N 265.397 2.516 30 40 CFEB N#Cc1ccc(COC(=O)Cc2ccccc2F)cc1 7562377 NHWKVQOVZKFEOH-UHFFFAOYSA-N 269.275 2.983 30 40 CFEB Cc1csc(CNC(=O)Nc2cccc(C#N)c2)n1 43330093 FFLDFDMFJWNWFX-UHFFFAOYSA-N 272.333 2.645 30 40 CFEB C[C@H]1Cc2ccccc2N1C(=O)COc1ccccc1C#N 3256683 ANHAXVVSVDBDNG-ZDUSSCGKSA-N 292.338 2.915 30 40 CFEB CN(C)CCNc1oc(/C=C/c2ccccc2)nc1C#N 5253246 VONZNADTBDNNMK-CMDGGOBGSA-N 282.347 2.690 30 40 CFEB COCCCCC(=O)N[C@@](C)(C#N)C1CCCCC1 71908447 CUEABMJEWJYPPA-HNNXBMFYSA-N 266.385 2.782 30 40 CFEB COc1ccccc1CN/N=C/c1ccc(O)cc1 20761276 HVKPFDKXRFSTLU-MHWRWJLKSA-N 256.305 2.525 30 40 CFEB CCOC(=O)[C@@H]1O[C@@]1(C)c1ccc(Br)cc1 85657684 LKRBKFJICYDHNL-JQWIXIFHSA-N 285.137 2.626 30 40 CFEB COc1ccc(C#N)cc1Cn1ccc2sccc2c1=O 96500043 MALUSEZYTTVRTL-UHFFFAOYSA-N 296.351 2.992 30 40 CFEB N#Cc1ccc(N2CCO[C@H](c3cccs3)C2)cn1 97227822 MFXPKDJDRIPQPS-ZDUSSCGKSA-N 271.345 2.593 30 40 CFEB N#Cc1ccccc1S(=O)(=O)Nc1cc(F)ccc1F 12794679 FODOVBGNMKLMIB-UHFFFAOYSA-N 294.282 2.637 30 40 CFEB Cc1cccc2c1CC(C)(C)NC2=C1C(=O)CCCC1=O 100085242 FUCLEWUZYHCHJS-UHFFFAOYSA-N 283.371 2.953 30 40 CFEB N#CCSCC(=O)N[C@H]1CCSc2ccc(F)cc21 32820975 UFBVWNSGSBUTJA-NSHDSACASA-N 296.392 2.736 30 40 CFEB N#Cc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3517197 RBWDNJAJXMGJEE-UHFFFAOYSA-N 297.358 2.703 30 40 CFEB CCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1 4901652 WVEQFTAXNYZQBD-AWEZNQCLSA-N 297.310 2.708 30 40 CFEB CC1(C)[C@@H]2C[C@H]1C[C@H]1C2=CC[C@H]2C(=O)C=CC(=O)[C@H]21 4280994 LMMRHMDTCZGYNN-FFFICINHSA-N 256.345 2.939 30 40 CFEB CCOC(=O)c1cc(-c2cccs2)nn1CCC#N 3305746 YYLHTWSIIVPDTB-UHFFFAOYSA-N 275.333 2.702 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2ccccc2C(=O)O)cc1 11770027 RGWQQYVKBGQSSM-LICLKQGHSA-N 298.298 2.617 30 40 CFEB Cc1ccc(C(C)C)cc1O[C@H](C)/C(O)=N/S(C)(=O)=O 48486750 OXTVJEJLLQWHEG-LLVKDONJSA-N 299.392 2.802 30 40 CFEB Cc1cc(N)nc(SCc2cccc(C#N)c2)n1 7049196 WXINIFCGXVDZDO-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N 19862832 QTLNXNLKWUNVFJ-UHFFFAOYSA-N 284.706 2.736 30 40 CFEB N/C(=N\c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1 225236153 GBWMLDPCNSUMCA-UHFFFAOYSA-N 291.698 2.702 30 40 CFEB N#Cc1cnc(Br)cc1C(F)(F)F 306280914 FVUIXAQLVBQMCW-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB C=CCN1/C(=C/C(=O)OC)CS/C1=N/c1ccccc1 18211533 APVUFWLYKQVAHF-ZVRISXNUSA-N 288.372 2.966 30 40 CFEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C1(O)CCCCC1 1424850 WFXZDTXXDYWBGR-RMKNXTFCSA-N 275.304 2.872 30 40 CFEB COc1ccc(/C=C/C(=O)c2cn(C)nc2C)c(OC)c1 47380209 XDMVZKHHJBKXIK-SOFGYWHQSA-N 286.331 2.642 30 40 CFEB C=C(C)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 12545035 PAKYKOAXJQDGRV-UHFFFAOYSA-N 298.433 2.534 30 40 CFEB CCc1nnc(S)n1/N=C/c1cn(C)c2ccccc12 6519872 GKXPTJUFHKKBTP-OVCLIPMQSA-N 285.376 2.503 30 40 CFEB C#CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 58432084 XNPDZVPIYHQGRU-CQSZACIVSA-N 267.332 2.897 30 40 CFEB C[C@H]1CCc2ccccc2N1CC(=O)N[C@](C)(C#N)C1CC1 58890269 DHKHZVXTZANTDH-SCLBCKFNSA-N 297.402 2.636 30 40 CFEB COc1ccc(-n2ccnc2S[C@@H](C)C#N)cc1 11395237 XNDWEMREWHYVML-JTQLQIEISA-N 259.334 2.885 30 40 CFEB CCc1c(C)sc(NC(=O)CCCC(=O)O)c1C#N 2738892 IGAZWUSTMTTZGW-UHFFFAOYSA-N 280.349 2.684 30 40 CFEB CCCCNC(=S)N/N=C1\C(O)=Nc2c(C)cccc21 3577469 OIKQWTVPQBECKV-UHFFFAOYSA-N 290.392 2.565 30 40 CFEB CCN(CC)C(=O)CSc1nc(C)c(C)c(C)c1C#N 5172382 KMQIYMAMZNBPRZ-UHFFFAOYSA-N 291.420 2.839 30 40 CFEB CC[C@](C)(C#N)NC(=O)Cc1csc(-c2ccoc2)n1 96414372 SXCXIWNIRAXIFN-CQSZACIVSA-N 289.360 2.754 30 40 CFEB C#CCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 15922086 XWWDIDYLFDLOLE-LBPRGKRZSA-N 293.326 2.754 30 40 CFEB CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C=O 72481764 MQWFDBUONPZNGK-VXGBXAGGSA-N 253.342 2.825 30 40 CFEB CCCCCCC[C@@H]1C[C@H](CSC(=N)N)OC1=O 8686374 ODNPRNWBYSQJGS-GHMZBOCLSA-N 272.414 2.905 30 40 CFEB N#Cc1ccccc1NC(=O)c1cnc2ccccc2n1 8980958 YPFSJACLHCVLJG-UHFFFAOYSA-N 274.283 2.754 30 40 CFEB CN(C)C(=O)c1ccc(OCc2ccc(F)cc2C#N)cc1 89312090 GYTVPKZNGVJFPT-UHFFFAOYSA-N 298.317 2.978 30 40 CFEB Cc1cc(O)c(CN(CCC#N)CCC#N)cc1C 31648732 SRUPHANWRWLNBU-UHFFFAOYSA-N 257.337 2.638 30 40 CFEB C=C[C@H](C)OC(=O)c1ccc(F)c(NC(C)=O)c1 187561602 ZAYQIRHOVQNJPW-QMMMGPOBSA-N 251.257 2.515 30 40 CFEB CN1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100536 MWSHMUZMGMGNMB-GOSISDBHSA-N 297.402 2.649 30 40 CFEB CN(CC(C)(C)CN)c1cc(Cl)ccc1C#N 93874596 GZXNIRKKDCPLOK-UHFFFAOYSA-N 251.761 2.633 30 40 CFEB CCOC(=O)c1c(C)oc2c1C(=O)/C(=N/O)c1ccccc1-2 13475820 WSJJWPDMAHUZIS-GHRIWEEISA-N 299.282 2.806 30 40 CFEB COc1ccc(/C=C/C(=O)[C@@]23CCCC[C@@H]2O3)cc1OC 3129362 QUUNKNVMAVPMIY-NNTYKDFWSA-N 288.343 2.998 30 40 CFEB CC1(C)OB(c2ccc(CCN=[N+]=[N-])cc2)OC1(C)C 1260390051 GLBOLBGPAODQRL-UHFFFAOYSA-N 273.145 2.839 30 40 CFEB N#Cc1cccc(NC(=O)c2cccc3cn[nH]c23)c1 32752882 NFACBELWQCLUNB-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB N#Cc1ccc(Nc2ccc(N3CCOCC3)cc2)nc1 40490260 PWXAKMZVTUPPMH-UHFFFAOYSA-N 280.331 2.533 30 40 CFEB CCCCOCCOC(=O)[C@H]1O[C@@]1(C)c1ccccc1 1734100 SKVYPMPWHFKHCS-ZBFHGGJFSA-N 278.348 2.661 30 40 CFEB C=CCn1cccc(C(=O)Nc2ccc(C)cc2)c1=O 1400203 GHHGMTXOHMQSHV-UHFFFAOYSA-N 268.316 2.595 30 40 CFEB CC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 12364713 FCWMWSGRELKPLH-UHFFFAOYSA-N 264.284 2.962 30 40 CFEB CC1=C/C(=N\Nc2nc(=O)cc(C)[nH]2)CC(C)(C)C1 5072862 AIRNPNVWGNYHBA-GZTJUZNOSA-N 260.341 2.613 30 40 CFEB CCOc1ccccc1N(C)C(=O)c1cc(C#N)cn1C 95438317 LEOFHANVRKSWND-UHFFFAOYSA-N 283.331 2.572 30 40 CFEB CCCC/N=C1/S/C(=C/C(=O)OC)C(=O)N1CCCC 4699811 ODNKKWOYVLOYFK-RICRECKTSA-N 298.408 2.575 30 40 CFEB C/C(=C\C(=O)C(F)(F)F)NOCc1ccc(F)cc1 16245253 QTSAKYBYVXAEEW-SOFGYWHQSA-N 277.217 2.882 30 40 CFEB N#CCC[C@@H](C#N)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 97085580 AXDBRXQLXJWTOF-LBPRGKRZSA-N 295.302 2.902 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2cccc([N+](=O)[O-])c2)cc1 31658493 DUJGQCJQVKGBBA-ZROIWOOFSA-N 286.247 2.949 30 40 CFEB N#Cc1ccccc1Cn1ccc(-c2ccncc2)n1 216694936 GVEUALUAZNHVAB-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB Cc1cccc(COc2nn(C(C)(C)C)c(N)c2C#N)c1 225835379 VFYWCHLCWQGHPK-UHFFFAOYSA-N 284.363 2.979 30 40 CFEB N#CCCN(Cc1cc(C#N)ccc1F)C1CCOCC1 95400901 MRFUUGFTYFJYDW-UHFFFAOYSA-N 287.338 2.592 30 40 CFEB CCN(CC)/C(N)=N/C[C@H](OC)c1ccc(Cl)cc1 97012258 FRYQADDPRBXJNX-ZDUSSCGKSA-N 283.803 2.684 30 40 CFEB O=c1[nH]ncc(NN=C2CCCCCCC2)c1Cl 18889104 YCZOXNBCJOTSFN-UHFFFAOYSA-N 268.748 2.936 30 40 CFEB Cc1cc(SCC(=O)NCCC#N)nc2ccccc12 9911693 YRQROHIWUDOBEF-UHFFFAOYSA-N 285.372 2.665 30 40 CFEB N#Cc1cccc(NC(=O)CCOc2ccccc2)c1 2621685 KJXRIGKCMRHZHR-UHFFFAOYSA-N 266.300 2.966 30 40 CFEB COc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1OC 40538624 OBUQEILTXGPFED-PKNBQFBNSA-N 298.342 2.650 30 40 CFEB Cc1cc(NC2CCCCC2)nc(NCCCO)c1C#N 71279908 LDKYFGCZKSGYNI-UHFFFAOYSA-N 288.395 2.801 30 40 CFEB CC1(C)CC(=O)c2cc(C#N)c(=O)n(-c3ccccc3)c2C1 3901013 ISTABWPBXDEYFB-UHFFFAOYSA-N 292.338 2.864 30 40 CFEB CC/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccccc1 4715278 HIFKIXBGHKZHTG-MHWRWJLKSA-N 276.727 2.650 30 40 CFEB COc1ccc([C@@H](C)CCNC(=O)C(C)(C)C#N)cc1 76022175 MYRMUKDKQZSEOX-LBPRGKRZSA-N 274.364 2.855 30 40 CFEB COC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 52507880 CKQGKSYLJHXZRU-LURJTMIESA-N 278.617 2.534 30 40 CFEB CNC(=O)c1ccccc1NCc1ccc(C#N)cc1F 11618312 UZBZEQRVMKQIAW-UHFFFAOYSA-N 283.306 2.669 30 40 CFEB COc1ccc(OCc2ccc(C#N)cc2)c(C(=O)O)c1 13086329 JOKPMWJCPKAWDA-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB CC(C)Cc1nnc(NC(=O)c2cccc(C#N)c2)s1 7007454 ATCPDNAEVIPVMH-UHFFFAOYSA-N 286.360 2.861 30 40 CFEB CCC[C@H](CN1CCN(CC#N)CC1)c1ccccc1 97033911 CROCGGNJFWMELU-QGZVFWFLSA-N 271.408 2.711 30 40 CFEB Cc1nc(N)sc1-c1ccnc(C2(C#N)CC2)c1 95629719 JVEIHQRIBSDOLQ-UHFFFAOYSA-N 256.334 2.651 30 40 CFEB C=C(C)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 48342164 FTCRDBSSNZNGFF-UHFFFAOYSA-N 285.313 2.799 30 40 CFEB CCOC(=O)C1CCC(C#N)(NC(=O)OC(C)(C)C)CC1 199567203 GXPDQFZNDICLET-UHFFFAOYSA-N 296.367 2.527 30 40 CFEB Cc1ccc(-c2ccc(/C=C/C(=O)NO)o2)cc1[N+](=O)[O-] 226290541 NMEJODXATJTHDY-FNORWQNLSA-N 288.259 2.682 30 40 CFEB CC(C)(C)OC(=O)N[C@H](Cc1cc(F)cc(F)c1)[C@H]1CO1 98087696 NKGKCDXMOMAORK-CHWSQXEVSA-N 299.317 2.799 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccccc2O)SC1=S 13476524 KDXMRGRMHDOBTR-DHZHZOJOSA-N 277.370 2.779 30 40 CFEB CN(C)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 303992 DCDNNNVNOAETFD-UHFFFAOYSA-N 265.316 2.877 30 40 CFEB C=C1CCC(NC(=O)[C@H]2CCc3ccccc3O2)CC1 618256786 MPFFRIKZLKRHEU-MRXNPFEDSA-N 271.360 2.995 30 40 CFEB CO[C@H]1C=CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N 340758 GFZHCBZHBYOVFD-KBPBESRZSA-N 283.287 2.687 30 40 CFEB N#Cc1ccc(CN2CCN(Cc3ccco3)CC2)c(F)c1 22843596 IVRUMZRMUUBUMC-UHFFFAOYSA-N 299.349 2.608 30 40 CFEB Cc1cncc(C(=O)OC[C@H](C#N)Cc2ccco2)c1 95426583 QGOXRLXZRYIHBN-LBPRGKRZSA-N 270.288 2.522 30 40 CFEB Cn1ccnc1SCc1cn2ccccc2c1C#N 58369852 QYQZFOUSSGIGOQ-UHFFFAOYSA-N 268.345 2.837 30 40 CFEB COc1ccc(CN/N=C/c2cccc(O)c2)cc1OC 20196079 HNNKUCGCMXUUDD-LICLKQGHSA-N 286.331 2.533 30 40 CFEB COC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C 20219159 QUJOKCNAWOGHIM-UHFFFAOYSA-N 295.342 2.685 30 40 CFEB C=CCNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N 35672236 LCBQSDYAVOMCEG-UHFFFAOYSA-N 270.248 2.719 30 40 CFEB CC[C@@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CO1 72208021 VUZWNBKWDQMESA-RISCZKNCSA-N 255.358 2.955 30 40 CFEB CCCc1nc(CS(=O)(=O)CCCCC#N)cs1 77473872 HYJKRGXOCXCILL-UHFFFAOYSA-N 286.422 2.704 30 40 CFEB N#CCc1cc(F)c(Br)cc1[N+](=O)[O-] 85105965 BYQKIUXJTLYMSN-UHFFFAOYSA-N 259.034 2.562 30 40 CFEB CCCNc1nc(-c2ccccc2)c(C#N)c(N)c1C#N 85409551 BHVZARNTHWDFLH-UHFFFAOYSA-N 277.331 2.896 30 40 CFEB O=S(=O)(/N=C/c1cccs1)c1cccs1 66265 FDOBAXPLFQXELN-JXMROGBWSA-N 257.361 2.617 30 40 CFEB N#Cc1c(Cl)nsc1NC[C@@H](O)c1ccc(F)cc1 58218750 IGMKYOAUGTVRBC-SNVBAGLBSA-N 297.742 2.953 30 40 CFEB O=C1/C(=N/O)C[C@H](c2ccccc2)N1c1ccccc1 103051915 YABBQMVESTWNFA-PWVLXBNSSA-N 266.300 2.995 30 40 CFEB N#CCSc1nnc(-c2ccc(OC(F)F)cc2)o1 7778383 XRPZOQHLQYPBOC-UHFFFAOYSA-N 283.259 2.954 30 40 CFEB COc1cccc(C(=O)OCc2ccccc2C#N)c1OC 8070885 KFHULTUUPAVUOA-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB CCOC(=O)[C@@H](C)Sc1ccc(C#N)cc1F 71921882 JPYRRLJMUKZERO-MRVPVSSYSA-N 253.298 2.741 30 40 CFEB CCN(CCO)C(=O)c1ccccc1-c1ccccc1C#N 96968344 NTXZEGKUNAOYRO-UHFFFAOYSA-N 294.354 2.680 30 40 CFEB COc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1OC 97112637 CMARSIXXVWXMRP-WQLSENKSSA-N 298.342 2.650 30 40 CFEB C#CCNC(=O)N(CCC(F)(F)F)C1CCCCC1 84502530 ANJRMEVZWKHIEB-UHFFFAOYSA-N 276.302 2.916 30 40 CFEB Cc1noc(C)c1Cn1c(C)nnc1-c1cccc(C#N)c1 89532473 GRTWSCJTFICNOU-UHFFFAOYSA-N 293.330 2.778 30 40 CFEB C[C@H](C[S@](C)=O)Nc1cc(C#N)ccc1C(F)(F)F 129616382 HJOFLQMIVBKMMS-LILOVNGRSA-N 290.310 2.756 30 40 CFEB Cn1cc([C@H]2CCCN2CCOc2cccc(C#N)c2)cn1 69667578 PRFMQQUAIVGTEB-QGZVFWFLSA-N 296.374 2.508 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 5558772 HJUYWRUROWPAQY-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CC(C)c1nc(CSc2ncc(C#N)c(N)n2)cs1 31652615 FVAOSHUBXRBLEO-UHFFFAOYSA-N 291.405 2.803 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccn(CC(F)F)n1 79014926 BGJHZRVTPRQFFZ-UHFFFAOYSA-N 293.233 2.672 30 40 CFEB C=CCOC[C@@H](O)CN(CCC(C)C)CCC(C)C 1640258 QMEDGJADQMETLG-INIZCTEOSA-N 271.445 2.944 30 40 CFEB C=CCN1C(=O)CS/C1=N\N=C(/C)c1ccccc1 4738106 URVZKTHOEIMRKY-RBYPTUOBSA-N 273.361 2.528 30 40 CFEB O=C(NCc1ccco1)C(F)(F)C(F)(F)C(F)(F)F 1789983 MUIUDTBSWWIAOP-UHFFFAOYSA-N 293.138 2.729 30 40 CFEB COC(=O)CCCCC1=CC[C@@H]2C(O)=CC(=O)[C@@H]2C1 104276583 WJGOIDZQTASVPJ-NWDGAFQWSA-N 264.321 2.697 30 40 CFEB CCN1C(=O)/C(=N/Nc2ccccc2C)SC1=S 103469270 SAHYDLZVBCRMIA-UVTDQMKNSA-N 279.390 2.601 30 40 CFEB COC1=CC(=O)C([C@H](C)c2ccccc2)=C/C1=N/O 104227060 XQQOFRGCEAIAKC-JITTUONFSA-N 257.289 2.660 30 40 CFEB O=c1[nH]c(Cl)c(/C=N/Nc2ccccc2)s1 4350380 AOAYMJFCNMGWFR-WUXMJOGZSA-N 253.714 2.536 30 40 CFEB N#CCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3 4747510 XOEBMTHSOMFFTD-UHFFFAOYSA-N 275.691 2.837 30 40 CFEB CC[C@H](SC)/C(O)=N/c1nc(C(C)C)nn1C 95431298 BMMWMTYOBHJSDY-QMMMGPOBSA-N 256.375 2.668 30 40 CFEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)NC(C)(C)C)n1 7188007 CYOXNVGQHQVHAC-NSHDSACASA-N 291.420 2.965 30 40 CFEB CS[C@@H]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)C1 96439198 CDSTXXVGWZPVFM-UONOGXRCSA-N 289.404 2.642 30 40 CFEB N#CC1(NC(=O)CCc2ccc(Cl)s2)CCOCC1 71908919 BYLABTFUWLDBLS-UHFFFAOYSA-N 298.795 2.523 30 40 CFEB COc1ccc(C#CCNC(=O)OC(C)(C)C)cc1 8754373 WJINLHQWUAJFFG-UHFFFAOYSA-N 261.321 2.571 30 40 CFEB CCCCN(CC(F)(F)F)C(=O)c1c[nH]c(C#N)c1 97048121 NWBUFAYKGFXMLP-UHFFFAOYSA-N 273.258 2.691 30 40 CFEB C=CCNS(=O)(=O)c1ccc(OCCCCC)cc1 36638850 YETHYQOPJZHXBV-UHFFFAOYSA-N 283.393 2.720 30 40 CFEB O=C(OCc1ccccc1)N1CCC[C@H](S)C1 73652741 AYDDDTVMTGGEFW-LBPRGKRZSA-N 251.351 2.717 30 40 CFEB Cc1nn(C)c(C)c1OCc1cn2ccccc2c1C#N 89512334 XCXRFNNMRNVNGD-UHFFFAOYSA-N 280.331 2.740 30 40 CFEB CCCCCOc1c(OC)ccc(/C=N/O)c1O 95470428 JJVKWUQYYCJQKW-NTEUORMPSA-N 253.298 2.778 30 40 CFEB N#Cc1cc(Cl)ccc1N1CCC2(CC1)OCCO2 68429021 QFPGFZDYAMRLOS-UHFFFAOYSA-N 278.739 2.555 30 40 CFEB N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)c1 72270817 ZJEJQLCWTGNVRM-CABCVRRESA-N 295.346 2.670 30 40 CFEB CCOc1ccc(Cl)cc1C(=O)/C=C(\O)C(=O)OC 100965602 FOUYJHQHCDNNOH-XFFZJAGNSA-N 284.695 2.536 30 40 CFEB CC/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17158822 WPWSANGSIWAACK-XFFZJAGNSA-N 252.230 2.701 30 40 CFEB N#Cc1nccn1Cc1c(F)cccc1Br 95458700 LXQAUMZGHAZHGU-UHFFFAOYSA-N 280.100 2.705 30 40 CFEB N#C[C@@H](C(N)=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1581428 BSUBFGTXOWTBKV-JKSUJKDBSA-N 292.338 2.668 30 40 CFEB C=C(Br)Cn1ncnc1-c1cccc(C#N)c1 79013098 CPWIUBWMEIWUQE-UHFFFAOYSA-N 289.136 2.725 30 40 CFEB C=CCOc1ccc(CNC[C@H]2CCCO2)cc1OCC 6537911 WTKGQSDTWATTRK-OAHLLOKOSA-N 291.391 2.919 30 40 CFEB N#Cc1cc2c([nH]c1=O)CC[C@@H](c1ccccc1)C2 43404413 DSRINXYIXGEMTH-GFCCVEGCSA-N 250.301 2.519 30 40 CFEB in-vitro CC1(C)CC(=O)C(=C2OCCN2Cc2ccccc2)C(=O)C1 9287995 JLRWGZGZSBMYSC-UHFFFAOYSA-N 299.370 2.689 30 40 CFEB C=C(C(=O)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@]2(O)C1 14451650 UEQIFFFWXPAQCB-AEGPPILISA-N 250.338 2.905 30 40 CFEB biogenic COCc1cc(C)nc(N/N=C/c2ccccc2F)c1C#N 4811887 VLXMWHBBSUGEEY-DJKKODMXSA-N 298.321 2.993 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)c2cnc3ccccn23)n1 84268017 UHVDYZDQOOPJOV-JTQLQIEISA-N 282.328 2.589 30 40 CFEB C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1C[C@@H](OC(C)=O)C(=C)[C@H]12 35465461 GKMFOEIZCLMZDE-GCSSGZNBSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro CC(=O)/C=C1/Nc2cc(C)cc(Br)c2O1 40545316 UNLSNHQQSYJAEP-YHYXMXQVSA-N 268.110 2.992 30 40 CFEB CC/C=C(C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1F 96404471 WRLTWSDZXSIARH-XBXARRHUSA-N 289.303 2.966 30 40 CFEB CC(C)(C#N)C(=O)Nc1ccc(N2CCSCC2)cc1 96422405 UMXUGLOFLUYCPX-UHFFFAOYSA-N 289.404 2.728 30 40 CFEB CCOC(=O)C/C(C)=N/Nc1ccc(C)cc1[N+](=O)[O-] 16682231 JMESYTOWBXNGPL-GXDHUFHOSA-N 279.296 2.644 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1cc(Cl)ccc1Cl 3888459 AYOUERYCMNOYDO-YHYXMXQVSA-N 275.087 2.791 30 40 CFEB C#CCOC1CCN(c2cc(Cl)ccc2C#N)CC1 98012543 LXNXKAJICDGTOJ-UHFFFAOYSA-N 274.751 2.830 30 40 CFEB CCc1nnc(-c2cc3ccccc3n2CC#N)o1 7452176 ONLZDYTYYWJDJO-UHFFFAOYSA-N 252.277 2.777 30 40 CFEB C#CCn1/c(=N/C(=O)CC)sc2c(C)cc(C)cc21 100910269 ZFUKTRJXPYKAOK-NXVVXOECSA-N 272.373 2.790 30 40 CFEB CC(C)(C)N/C=C(/Br)C(=O)C(F)(F)F 102945021 CVPHGSYVFPJXJD-SNAWJCMRSA-N 274.080 2.742 30 40 CFEB CCOc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1 58208588 PDXLUVPFOCJQBF-UHFFFAOYSA-N 271.320 2.552 30 40 CFEB C=C(Cl)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 110691873 YSWBBZMLDXDBTG-ZYHUDNBSSA-N 288.819 2.974 30 40 CFEB C=CCNC(=S)N1CC[C@]2(C)c3ccccc3N[C@@]12C 4623359 ZUGLQHQFKRZDST-CVEARBPZSA-N 287.432 2.852 30 40 CFEB CC[C@@H](OC1CCCCC1)C(=O)N[C@]1(C#N)CCSC1 96473958 HCJPOKVGYBEFJS-HIFRSBDPSA-N 296.436 2.630 30 40 CFEB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncccc1C#N 7051879 PZTXFCULOFPNGV-YPMHNXCESA-N 289.404 2.740 30 40 CFEB CCOCCC(=O)N(CCC#N)c1ccc(C)c(C)c1 71900167 GNBVCMXVSDPQJF-UHFFFAOYSA-N 274.364 2.977 30 40 CFEB Cc1cccc(C(N)=O)c1NCc1cc(C#N)ccc1F 85280388 ADNZFQKRDJANEB-UHFFFAOYSA-N 283.306 2.717 30 40 CFEB Cc1ccc(/C=N\N2C(=O)c3ccccc3C2=O)cc1 31715756 MTDSWPREMZZADO-YVLHZVERSA-N 264.284 2.625 30 40 CFEB CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CO1 72208111 ZRAQYCASVOBWRH-AWEZNQCLSA-N 255.358 2.813 30 40 CFEB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C#N)cc1 32816855 MYRHKLXCYPOOIQ-UHFFFAOYSA-N 295.298 2.739 30 40 CFEB C[C@@H]1CO[C@]2(CCCN(c3ccc(C#N)cc3)C2)C1 96073323 UQACDZGGEIGPOB-XJKSGUPXSA-N 256.349 2.954 30 40 CFEB COc1ccc(OC)c([C@@H](OC[C@H]2CO2)C(F)(F)F)c1 95095972 TVLGZKBCUVOGKQ-BXKDBHETSA-N 292.253 2.723 30 40 CFEB COc1c(B2OC(C)(C)C(C)(C)O2)ccc(C)c1Cl 642815060 YQVUMUUPPMXSFC-UHFFFAOYSA-N 282.576 2.956 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1ncn(C2CCCCC2)n1 162618893 WANGVMZLBNCULC-NSHDSACASA-N 290.371 2.597 30 40 CFEB COc1cccc(/C(C)=N/Nc2ccc(Cl)nn2)c1 20757105 XPBJRFUZKILIGJ-OQLLNIDSSA-N 276.727 2.975 30 40 CFEB C=CCN(Cc1cccs1)C(=O)c1cnn(C)c1C 41997464 BBKNZKAUBLOLMF-UHFFFAOYSA-N 275.377 2.618 30 40 CFEB N#C[C@H](C(N)=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1581430 BSUBFGTXOWTBKV-HOTGVXAUSA-N 292.338 2.668 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)CNc1cccc(C#N)c1 21889544 JITPMUQCEVNEIM-IUODEOHRSA-N 271.364 2.665 30 40 CFEB N#Cc1ccccc1N/C=C\c1nnnn1-c1ccccc1 100661675 DHUQBPWUQUHBFZ-KHPPLWFESA-N 288.314 2.617 30 40 CFEB S=C(NCCc1ccccc1)N/N=C1/C[C@H]2CC=C[C@@H]12 36234974 ZCCMBAOBDVBZME-GEDAEYTGSA-N 285.416 2.645 30 40 CFEB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O 2619919 NCRYVUUVONMELX-YVEFUNNKSA-N 297.358 2.559 30 40 CFEB CC[C@@H](C#N)NC(=O)Cc1nc(-c2cccs2)oc1C 65595746 PCMXTCFFMKWORO-JTQLQIEISA-N 289.360 2.672 30 40 CFEB N#C[C@@H](c1ccco1)N1CCC(c2ccccc2)=N1 4770774 FKLCKCGCFQYQBC-AWEZNQCLSA-N 251.289 2.954 30 40 CFEB Cc1cccc(/C(N)=N/OC(=O)/C=C/c2ccccc2)c1 5942875 STBQJENDORKKBP-ZHACJKMWSA-N 280.327 2.872 30 40 CFEB CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccccc1Cl 75110383 NWMAZWDTCAVRKB-LLVKDONJSA-N 286.784 2.557 30 40 CFEB C=CCN1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409098459 QJFUKYSLOZGWON-FLIBITNWSA-N 291.328 2.623 30 40 CFEB N#Cc1cc(=NCCc2cc(Cl)cc(Cl)c2)[nH]cn1 514706738 CUOXHXGJTXUDJO-UHFFFAOYSA-N 293.157 2.732 30 40 CFEB COc1ccccc1OCC#CCNC(=O)[C@H]1CC=CCC1 90610407 PNGYAHZHCUWZDA-HNNXBMFYSA-N 299.370 2.550 30 40 CFEB N#C[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242538719 JCXCBCVQHKJEEG-OAGGEKHMSA-N 283.352 2.766 30 40 CFEB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3)cs2)c1 585292640 LVYPZLANQBRYML-JTQLQIEISA-N 271.349 2.578 30 40 CFEB C#CCOc1cc(F)ccc1NC(=O)NCc1ccncc1 76081674 ULNXTDYZZRTBIT-UHFFFAOYSA-N 299.305 2.554 30 40 CFEB Oc1ccc(Br)cc1/C=N/C[C@H]1CCCO1 63174 MKBDPOJYGPNTNV-LLUUXILJSA-N 284.153 2.753 30 40 CFEB COc1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1 17368324 ZPXDVSRNWNMVAM-UHFFFAOYSA-N 296.326 2.779 30 40 CFEB Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)o1 19805251 CTSKFMRSRFSGHX-UHFFFAOYSA-N 253.305 2.983 30 40 CFEB N#Cc1ncn(Cc2ccc(-c3ccccc3)cc2)n1 12736697 ZYDCLRAUADDWRM-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB Cc1cc(C)n(/N=C/c2ccccc2Cl)c(=O)c1C#N 49221 LJOXZVBJYQHSSP-GIJQJNRQSA-N 285.734 2.872 30 40 CFEB C[C@@H](C#N)Sc1nncn1CCc1cccs1 40479360 CDQIFPCMQFBNPQ-VIFPVBQESA-N 264.379 2.586 30 40 CFEB C[C@H](NC(=O)CSCC#N)c1ccc(Cl)s1 40516278 FSQDBIQRBSSSQV-ZETCQYMHSA-N 274.798 2.835 30 40 CFEB CC[C@@H]1CCCCN1C(=O)COc1cccc(C#N)c1 32738705 QHJVUTWJGMRTDY-CQSZACIVSA-N 272.348 2.728 30 40 CFEB C=CCCO[C@@H](C)C(=O)NCc1nc2c(s1)CCCC2 72309912 BLIUXVLFRPHOSH-NSHDSACASA-N 294.420 2.619 30 40 CFEB C=CCC(=O)OCc1cc2c(cc1Br)OCO2 1677487 SFDXRGOBVDWMLW-UHFFFAOYSA-N 299.120 2.797 30 40 CFEB CC1(C)N/C(=C\C(=O)c2ccccc2)C(C)(C)N1O 100992050 KRLVNANZKMGEBF-RAXLEYEMSA-N 260.337 2.562 30 40 CFEB O=S(=O)(/N=C(O)/C=C/c1ccco1)c1ccccc1 46708515 RLFAPZQEBPEWIY-CMDGGOBGSA-N 277.301 2.638 30 40 CFEB CC(C)(C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(C#N)c1 97144879 DZDWNOMHEKJGLV-LBPRGKRZSA-N 277.324 2.675 30 40 CFEB N#C[C@@H](C(=O)Nc1cccnc1)c1ccc2ccccc2n1 89873138 MGNPDKVAJNOFGW-CQSZACIVSA-N 288.310 2.876 30 40 CFEB C=CCNc1ncc(-c2cc(C)no2)c([C@@H]2CCCO2)n1 72398167 GCBBGHQRTKJOGR-LBPRGKRZSA-N 286.335 2.889 30 40 CFEB CNC(=NCc1c(OC(C)C)ccc2ccccc12)NC 184813519 XNAQMVXTJYAYMI-UHFFFAOYSA-N 285.391 2.922 30 40 CFEB CC(C)c1[nH]ccc1/C(O)=N/C[C@](C)(O)C(F)(F)F 330597899 FFODRFCTBPDKAS-NSHDSACASA-N 278.274 2.756 30 40 CFEB N#Cc1ccc(CNC(=N)Nc2ccccc2)cc1 52046505 KLPKGHDHAJNDOJ-UHFFFAOYSA-N 250.305 2.695 30 40 CFEB C=C(C)CNc1ccc(-c2nnnn2C2CC2)cc1 71797883 HGYNBYXTNCLLQK-UHFFFAOYSA-N 255.325 2.663 30 40 CFEB C/C(c1cccs1)=[N+](/[O-])[C@@H](C)/C(=N/O)c1ccco1 13098323 LJWZGFPZLBRODJ-ZENBTOBFSA-N 278.333 2.927 30 40 CFEB Cc1nc(N)sc1C(=O)/C=C\c1ccc2c(c1)OCO2 17210660 OKEZPFXHWCRHRE-RQOWECAXSA-N 288.328 2.659 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 5610894 DVCFPZMWHDJJJB-LICLKQGHSA-N 294.314 2.796 30 40 CFEB Cc1cc(C)c(C#N)c(Sc2nnc3ccccn23)n1 12549593 WTGINKWTARVLHY-UHFFFAOYSA-N 281.344 2.764 30 40 CFEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(O)c1 101484768 GHQVISHSPGEKTJ-OBGWFSINSA-N 294.314 2.583 30 40 CFEB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1 7056090 BTFRBRGETIIGDH-UHFFFAOYSA-N 286.356 2.976 30 40 CFEB CN(C)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 3287065 JFJVKAIHCLHICJ-UHFFFAOYSA-N 295.342 2.642 30 40 CFEB N#CCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58391875 LJIFWIAMQHTRMU-LBPRGKRZSA-N 286.310 2.579 30 40 CFEB Cc1ccc(C(=O)c2c(N)c(C#N)c3ccccn23)cc1 4585196 QUZCKCMWNZVINT-UHFFFAOYSA-N 275.311 2.933 30 40 CFEB CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19900935 JKWXIOUGMOKWCF-UHFFFAOYSA-N 272.358 2.858 30 40 CFEB COc1ccccc1/C=N\NC(=S)NCc1ccccc1 33297414 OFQOBYNYEQGQBT-PDGQHHTCSA-N 299.399 2.693 30 40 CFEB CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 37502317 MMGXVZFRUICILQ-QWHCGFSZSA-N 287.407 2.902 30 40 CFEB CN(CC#N)Cc1cc(F)cc(Br)c1 83855798 OZRMFTKWZLCEIF-UHFFFAOYSA-N 257.106 2.544 30 40 CFEB N#Cc1ccc(CNc2nnc(-c3ccncc3)o2)s1 195564479 UQSCQEFVWOMQQT-UHFFFAOYSA-N 283.316 2.677 30 40 CFEB N#CCSCCCN1CCN(CC2CCCCC2)CC1 80627558 BFOZPKSTOVGBFP-UHFFFAOYSA-N 295.496 2.831 30 40 CFEB CC(=O)/C(SCC(=O)Nc1ccc(F)cc1)=C(/C)O 5215204 GEDIOMQJCXLAOO-MDWZMJQESA-N 283.324 2.876 30 40 CFEB C/C(=N/NC(=S)Nc1ccccc1)c1ccccn1 17106504 VHVSCHSQNUUXNS-BOPFTXTBSA-N 270.361 2.792 30 40 CFEB O=[N+]([O-])c1ccccc1/C=N\N=C/c1ccccc1[N+](=O)[O-] 17379066 SOKNZSTUZCMZHO-VULZFCBJSA-N 298.258 2.956 30 40 CFEB COc1ccc(-c2c(C)c(C)nc(N)c2C#N)cc1OC 19095757 YXSDPFYMEIWXAO-UHFFFAOYSA-N 283.331 2.837 30 40 CFEB CCN(C1CCCCC1)S(=O)(=O)c1ccccc1C#N 7375699 XMMIJRPQQMIYGO-UHFFFAOYSA-N 292.404 2.902 30 40 CFEB C[C@H](Cc1ccco1)NC(=O)c1cccc(C#N)c1 33207177 DXBJLWUBYCXGBQ-LLVKDONJSA-N 254.289 2.512 30 40 CFEB CC1=NOC(=O)/C1=C/c1ccc(Br)s1 13752101 WTLUBFFEMLBPIS-QPJJXVBHSA-N 272.123 2.827 30 40 CFEB C(=N/C1=NN(c2ccccc2)CC1)\N1CCCCC1 100059954 IMZCPOPBLQXPJV-DTQAZKPQSA-N 256.353 2.724 30 40 CFEB C[C@@H]1CN(c2oc(-c3ccccc3)nc2C#N)C[C@@H](C)O1 65770 PPCZMYTULUDURS-VXGBXAGGSA-N 283.331 2.827 30 40 CFEB O=C1CCC[C@@H]1C(=O)C(F)(F)C(F)(F)C(F)(F)F 100102436 WIUSQJBYVPBFHT-BYPYZUCNSA-N 280.139 2.758 30 40 CFEB O=[N+]([O-])c1cccc(/C(=N/O)N2CCc3ccccc32)c1 100467725 JNRXZOHMEPZNBZ-NXVVXOECSA-N 283.287 2.793 30 40 CFEB O=S(=O)(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc(Cl)cc1 5675246 DNQCVOWNLGVEFD-BTCRKOMKSA-N 296.779 2.570 30 40 CFEB C=CCOc1ccc(C(=O)NCc2csc(C)n2)cc1 15832204 VXPNSLLJDXANGM-UHFFFAOYSA-N 288.372 2.946 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(F)cc2C#N)c1 71882176 OTHYNAIXDCQAKA-STQMWFEESA-N 286.354 2.942 30 40 CFEB Cc1c(CNc2nc3ccccc3o2)cc(C#N)n1C 95990337 VZGKXQVRIYUZJW-UHFFFAOYSA-N 266.304 2.959 30 40 CFEB C=CCN1CCN(c2oc(-c3ccccc3)nc2C#N)CC1 72238630 KBKMCFLGRLSENX-UHFFFAOYSA-N 294.358 2.521 30 40 CFEB C=CCc1ccccc1OCc1ncc(C=O)cn1 217376092 WOSSULUDKDPQCB-UHFFFAOYSA-N 254.289 2.597 30 40 CFEB Cc1cc(N2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)cn1 585088800 BQOHDLLFRSGUOV-CQSZACIVSA-N 293.374 2.744 30 40 CFEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 5799672 PUZCVIBCKBPLGN-UHFFFAOYSA-N 299.330 2.824 30 40 CFEB O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\Nc1ccccc1 12368268 QXCIKBNUXJIZPN-LGMDPLHJSA-N 299.286 2.690 30 40 CFEB COc1ccc([C@@](C#N)(CCCN)C(C)C)cc1OC 5761247 UCWOSFAANAZHKR-MRXNPFEDSA-N 276.380 2.860 30 40 CFEB N#Cc1c(F)cccc1NCCNC(=O)c1ccccc1 40091198 MJSZCIWCALGVKV-UHFFFAOYSA-N 283.306 2.539 30 40 CFEB Cc1ccc([C@@H]2CCCC[C@@H]2OS(C)(=O)=O)cc1 1706515 ADBLBUZAIOEZBQ-KBPBESRZSA-N 268.378 2.997 30 40 CFEB CC(C)(C)c1noc(COc2ccccc2C#N)n1 23950172 QJNOYBAMLUWSCE-UHFFFAOYSA-N 257.293 2.818 30 40 CFEB N#Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1 38031919 CCMVVFKGKAYZKQ-UHFFFAOYSA-N 281.315 2.628 30 40 CFEB C=CCn1c(C)nnc1SCc1ccc(C#N)cc1 4936513 ASDVEROKBWQPFW-UHFFFAOYSA-N 270.361 2.937 30 40 CFEB COC(=O)c1c(C)[nH]c(C(=O)Oc2cccc(C#N)c2)c1C 68236448 FPYZTWDXIGTQJD-UHFFFAOYSA-N 298.298 2.509 30 40 CFEB COc1ccc([C@@H](CO)N(C)Cc2ccc(C#N)cc2)cc1 71904388 MNSDUPKEEQQAOT-GOSISDBHSA-N 296.370 2.732 30 40 CFEB CC(C)(C#N)CCCNc1cccc(S(C)(=O)=O)c1 75110457 AEDKMEZMGBLTAN-UHFFFAOYSA-N 280.393 2.832 30 40 CFEB N#CCCOCCC#CCN1CCCC[C@H]1c1cccnc1 55382697 WFOPXJCHESDCGB-SFHVURJKSA-N 297.402 2.932 30 40 CFEB biogenic,in-vitro CCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1Br 85657691 IXZIMBBAFVJART-JQWIXIFHSA-N 285.137 2.626 30 40 CFEB C=C[C@H](O)C#CC#C[C@H](O)/C=C\CCCCCCC 44404288 QWCNQXNAFCBLLV-OQDIJTRPSA-N 260.377 2.818 30 40 CFEB endogenous,in-man C#CCOC(=O)c1cc(NC)ccc1N1CCCC[C@@H]1C 226278872 WRNYRBATVCYZFX-ZDUSSCGKSA-N 286.375 2.897 30 40 CFEB C#Cc1cccc(NC(=O)Cc2cn3ccsc3n2)c1 83812743 GHIXQVYLGIMBTM-UHFFFAOYSA-N 281.340 2.558 30 40 CFEB CC1(C)OB(c2ccc(-c3cnco3)cc2)OC1(C)C 200113303 VKUAMGOXPSASDS-UHFFFAOYSA-N 271.125 2.641 30 40 CFEB C=CCN(C)C(=O)Nc1nnc(CC2CCCC2)s1 157335697 DHSKTKAEANZTJQ-UHFFFAOYSA-N 280.397 2.921 30 40 CFEB C/C(=N\Nc1nc2ccccc2[nH]1)c1cccnc1 5070721 KMQLECVKHRSSND-VCHYOVAHSA-N 251.293 2.794 30 40 CFEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCOCC1 20446572 KIWYOFDDVIKACU-ZZXKWVIFSA-N 299.305 2.692 30 40 CFEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C(C)C 77387431 YQDNEHUOPZBGRF-CQSZACIVSA-N 292.404 2.676 30 40 CFEB O=C(O)c1ccc(COc2ccc(/C=N/O)cc2)cc1 6926344 FECVOBJINPUYIZ-CXUHLZMHSA-N 271.272 2.772 30 40 CFEB Cc1ccc(C/N=C(\NCC(=O)O)Nc2ccccc2)cc1 2243924 CLFKRLIYNULMQD-UHFFFAOYSA-N 297.358 2.637 30 40 CFEB N#Cc1c(C(F)(F)F)cc(=O)n2c1[nH]c1ccccc12 100152386 MXTYCXMNTMSRLW-UHFFFAOYSA-N 277.205 2.671 30 40 CFEB N#Cc1ccccc1CNc1ccc(Cl)cc1C(N)=O 49066793 HXKIUQWXISOULP-UHFFFAOYSA-N 285.734 2.923 30 40 CFEB Cn1cc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cn1 49372107 QIMJNICWXVGCKX-DUXPYHPUSA-N 262.696 2.675 30 40 CFEB Cn1c2ccccc2n2c(=N)c3ccccc3c(C#N)c12 5571510 IVNAFDUUKZDJNW-UHFFFAOYSA-N 272.311 2.935 30 40 CFEB N#CCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 16493598 NNYRNNMTUSIKQC-UHFFFAOYSA-N 285.347 2.601 30 40 CFEB CC(C)Oc1ccc(NC(=O)Nc2ccn(C)n2)cc1C#N 119666004 DHOTWBOOAJVIKP-UHFFFAOYSA-N 299.334 2.723 30 40 CFEB CCN(CC)/C(N)=N/C[C@@H](OC)c1ccc(Cl)cc1 97012261 FRYQADDPRBXJNX-CYBMUJFWSA-N 283.803 2.684 30 40 CFEB N#Cc1nccnc1N[C@@H]1CCCN(c2cccc(F)c2)C1 75140146 AKFIVULDJKSXQV-CYBMUJFWSA-N 297.337 2.568 30 40 CFEB CCn1nc(C)c(/N=C/c2ccc(O)c(OC)c2)c1C 408973426 ATAXQIJIQHEPIG-CXUHLZMHSA-N 273.336 2.985 30 40 CFEB O=c1[nH]c(N/N=C/c2ccccc2F)nc2ccccc12 27692399 HWKNCQJETYPFCX-RQZCQDPDSA-N 282.278 2.508 30 40 CFEB CCNC(=S)N/N=C/c1ccccc1O[C@@H](C)CC 408602987 PLUAFGVAYMIHMO-YAFRSCOQSA-N 279.409 2.682 30 40 CFEB CC(C)(C)OC(=O)C1(NCCCCC#N)CCCC1 77317896 TVVPKTOSCGAPHB-UHFFFAOYSA-N 266.385 2.924 30 40 CFEB Cc1ccc2c(c1)CC[C@@H](/C(O)=N/CCc1ccn(C)n1)O2 330019714 VOCUEHYYCWKKKE-INIZCTEOSA-N 299.374 2.621 30 40 CFEB C=C(Br)CN1CCC(CCN(C)C)CC1 52442300 RWPRPJWBZWMJSI-UHFFFAOYSA-N 275.234 2.559 30 40 CFEB N#CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1 67686573 MRFVTLHJUGVVJP-UHFFFAOYSA-N 288.734 2.630 30 40 CFEB C=CCN1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 89917918 DVDIYIGLGNQMBH-AWEZNQCLSA-N 266.429 2.573 30 40 CFEB COc1ccc(OC)c(-n2c(C)cc(C#N)c2C)c1 32109048 PXENAFBKKUIEJC-UHFFFAOYSA-N 256.305 2.983 30 40 CFEB N#Cc1cccc(NCC(=O)N2CCCc3ccccc32)c1 4904689 STMRLFGUBMJXRD-UHFFFAOYSA-N 291.354 2.950 30 40 CFEB CC(C)(C)OC(=O)N1CC=C(c2cncc(C#N)c2)CC1 844234391 QSUZGBFUJCJWAR-UHFFFAOYSA-N 285.347 2.977 30 40 CFEB Cc1cc2nnc(SCc3ccc(C#N)cc3)n2c(C)n1 32922628 MVEZGSWCXVRNMK-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB CCc1nc2ccccc2n1CC(=O)N(CC)C[C@H](C)C#N 53172462 FKMBGBRGSDMQFO-CYBMUJFWSA-N 298.390 2.607 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)Cc2ccn(C(C)C)n2)n1 72310868 VHYNLQFBMQDDCR-LBPRGKRZSA-N 288.376 2.648 30 40 CFEB CO[C@@H](C)c1cccc(N[C@H](C)C(=O)N(C)CCC#N)c1 79030522 DKXPMYZHKQGPQD-OLZOCXBDSA-N 289.379 2.566 30 40 CFEB O=C(C[n+]1cccc(Cl)c1)c1ccc(F)cc1 1666157 SMLKFTATQVCPBM-UHFFFAOYSA-N 250.680 2.650 30 40 CFEB COc1ccccc1C(=O)COC(=O)c1ccc(C#N)cc1 2653770 JRJLGXBKRPVQLH-UHFFFAOYSA-N 295.294 2.607 30 40 CFEB C/C(=N\NC(=S)NC1CCCCC1)c1cccnc1 5119866 OGDNKYFAGDXNRG-GZTJUZNOSA-N 276.409 2.602 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O 4638372 IUHXXMANTMWKSH-VIZOYTHASA-N 282.259 2.927 30 40 CFEB Cc1nc(NCCCN(C)C)c(C#N)c2c1CCCC2 6759708 QVBMFMMSNXYQSL-UHFFFAOYSA-N 272.396 2.504 30 40 CFEB C=CCN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 66559936 ANZIALVLULEAAW-CQSZACIVSA-N 299.823 2.515 30 40 CFEB CN(/N=C\c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 31769164 QAWTVVBQSNHAOF-SXGWCWSVSA-N 299.286 2.794 30 40 CFEB N#C[C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 225633536 JCXCBCVQHKJEEG-BZUAXINKSA-N 283.352 2.766 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@@H](C)Oc1ccc(SC)cc1 76985308 HUINMVCWFQSIPG-NEPJUHHUSA-N 292.404 2.984 30 40 CFEB CC(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2 16955109 FMDARDLASGKTGO-ICFOKQHNSA-N 252.273 2.852 30 40 CFEB CCOS(=O)(=O)/C=C/SC1C=CC=CC=C1 5462971 KFDKFUSMUPPWCG-MDZDMXLPSA-N 258.364 2.608 30 40 CFEB C=C(c1cnc(NC[C@H]2CCCO2)nc1)C(F)(F)F 2086816550 OMHZIFOHRGNIDV-SNVBAGLBSA-N 273.258 2.643 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)COCc1ccccc1 620317393 OSYNAKABAMDLGA-IYBDPMFKSA-N 271.360 2.913 30 40 CFEB N/C(=C\c1ccccc1O)C/N=C/c1ccccc1O 100031321 UWLQKBXMMJMZLN-XYZJYNETSA-N 268.316 2.517 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 22475055 AIYXPQRUHBNZPW-UHFFFAOYSA-N 275.304 2.608 30 40 CFEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccn1 24098987 CTPWZTJFGDQIAA-OAHLLOKOSA-N 265.316 2.834 30 40 CFEB CCOC(OCC)C(=O)[C@H](C#N)c1ccc(Cl)cc1 1667778 QQFQSACPYJTBON-GFCCVEGCSA-N 281.739 2.915 30 40 CFEB CC(C)C/N=C(/N)SCc1ccc([N+](=O)[O-])cc1 7665110 ZYQZLKUBUJYFBE-UHFFFAOYSA-N 267.354 2.799 30 40 CFEB CN(Cc1cccc(C#N)c1)Cc1nnc(C(C)(C)C)o1 46856656 PPHNTCJYGOPVRP-UHFFFAOYSA-N 284.363 2.871 30 40 CFEB N#Cc1ccc(-c2cccnc2)nc1N1CCCC1 22115484 IUSDHXKFDWSJCF-UHFFFAOYSA-N 250.305 2.615 30 40 CFEB C/N=C(/S)N/C=N/OCc1c(Cl)cccc1Cl 13545432 BDGOUCVQKISTTA-UHFFFAOYSA-N 292.191 2.959 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccccc1C(=O)O 5838587 JKDLWISMCYGBAF-DYBVGFEPSA-N 260.337 2.982 30 40 CFEB C[C@H](C(=O)NC1(C#N)CC1)c1ccc(Br)s1 72302898 MCSHBACTBBGIKX-ZETCQYMHSA-N 299.193 2.786 30 40 CFEB N#Cc1ccc(C(=O)Nc2cccc(OCCF)c2)nc1 89780708 AWRMNEIYTPRUIS-UHFFFAOYSA-N 285.278 2.554 30 40 CFEB CCOc1cc(Br)cc(C#N)c1OC 225290375 LKFBBIPKVRBGCE-UHFFFAOYSA-N 256.099 2.728 30 40 CFEB Cc1nnc(SCCCN2CCCCC2)c(C#N)c1C 195576195 KVNVQWNHYNHIDI-UHFFFAOYSA-N 290.436 2.933 30 40 CFEB CN(c1ccc(F)c(Cl)c1)S(=O)(=O)CCCC#N 97231036 PIFBPUSFEBDQHQ-UHFFFAOYSA-N 290.747 2.549 30 40 CFEB CC/N=C1\N=C2SC=CN2C(=O)\C1=C\c1ccccc1 97998545 VQUJRTQXKGBXAI-YCNRLPBWSA-N 283.356 2.905 30 40 CFEB C=CCN(CC(=O)Nc1cc(C)no1)Cc1ccccc1 27777143 UMNXHOYZIWNKSK-UHFFFAOYSA-N 285.347 2.610 30 40 CFEB C=CCN(CC=C)C(=O)N[C@@H]1CCC[C@@H]1SC 74762720 YXNPTYXWCDQSSW-NEPJUHHUSA-N 254.399 2.654 30 40 CFEB Cc1ccn(CCSc2ccccc2)c(=O)c1C#N 97375749 PAUYJQWNRYDJKT-UHFFFAOYSA-N 270.357 2.821 30 40 CFEB C/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O 5829832 UJKLSAOOVOHJDU-BMMGJOQZSA-N 276.361 2.800 30 40 CFEB C[C@@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@@H](C)O1 536201 DEUUDJDJZKLUJV-NXEZZACHSA-N 289.360 2.888 30 40 CFEB aggregator C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Cl 42220671 JHPOMPDJWLXTEN-WDEREUQCSA-N 266.772 2.681 30 40 CFEB N#Cc1cccc(C(=O)c2ccc(C3OCCO3)cc2)c1 43212622 MLFOBAQUUZPYSU-UHFFFAOYSA-N 279.295 2.835 30 40 CFEB N#CCN(C(=O)c1ccc(OCC2CC2)cc1)C1CC1 58291134 XDONSHPBQNNXRQ-UHFFFAOYSA-N 270.332 2.604 30 40 CFEB C/C(=N/N1CCCCC1)c1ccc(OCC#N)cc1 58791172 BCLNKCDBWIDHDP-LGMDPLHJSA-N 257.337 2.799 30 40 CFEB O=C(/C=N/O)Nc1ccc(Cl)cc1C(F)(F)F 101437996 ORGCKEONBXSGNI-LNKIKWGQSA-N 266.606 2.757 30 40 CFEB C[C@@H](C#N)Sc1nnc(COc2ccc(F)cc2)o1 11195403 YEJODWZYVYYFCJ-QMMMGPOBSA-N 279.296 2.792 30 40 CFEB C=CCNC(=O)Nc1ccc(F)cc1Br 48452930 GDMRAZXOJKGVTJ-UHFFFAOYSA-N 273.105 2.896 30 40 CFEB Cn1ncc2c(Oc3ccc(C#N)cc3Cl)ncnc21 12924063 ACUIXGXXFJJAQY-UHFFFAOYSA-N 285.694 2.681 30 40 CFEB N#Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 6494862 SPRVIPYDKFUBTA-UHFFFAOYSA-N 270.317 2.539 30 40 CFEB CCOc1ccc(Nc2ncccc2C(=O)OCC#N)cc1 9478824 VLNKAINRABDNQF-UHFFFAOYSA-N 297.314 2.904 30 40 CFEB COc1cc(C(=O)/C=C/c2cccnc2)ccc1O 7621515 QWECOYPNOLERNY-GQCTYLIASA-N 255.273 2.692 30 40 CFEB N#Cc1ccc(CNC[C@@H](O)C2CCCCC2)cc1 69170586 LYXMHCJWGYWJMT-MRXNPFEDSA-N 258.365 2.589 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)c1sccc1Br 69892736 CBKVIMVOQBVJIG-ZETCQYMHSA-N 287.182 2.885 30 40 CFEB N#Cc1ccc(F)c(CN2CCC[C@H]2Cn2cccn2)c1 69950207 LLJPFIFZTXOEKX-HNNXBMFYSA-N 284.338 2.558 30 40 CFEB N#Cc1cccnc1NCc1csc(C2CC2)n1 75137649 CBDYWMZKUNHNFP-UHFFFAOYSA-N 256.334 2.899 30 40 CFEB C=CCN1C(=O)N/C(=C/c2cccn2-c2ccccc2)C1=O 409138039 ZAAVJRJBDXSKMP-NTCAYCPXSA-N 293.326 2.556 30 40 CFEB Cc1nc(NC(=O)N(C)CCC#N)ccc1Br 128648823 MBHPENVKCAGDHX-UHFFFAOYSA-N 297.156 2.530 30 40 CFEB Cc1nc(Nc2ccc(C#N)cc2)c2c(n1)c(C)nn2C 32650322 FJJZUNZGGLTUDC-UHFFFAOYSA-N 278.319 2.595 30 40 CFEB CN(C(N)=O)c1ccc(OCc2ccc(C#N)cc2)cc1 96403850 STTHOPVNCNJGIE-UHFFFAOYSA-N 281.315 2.652 30 40 CFEB C=CCN1C(=O)CC[C@]12CCCN(CC1CC1)[C@H]2CC 96052467 AHQDFPGMVHFDOM-RDJZCZTQSA-N 276.424 2.818 30 40 CFEB CC[C@@H]1c2ccccc2CCN1CCC(=O)N(C)CCC#N 92797004 JUNRHYVUYCLCTA-QGZVFWFLSA-N 299.418 2.758 30 40 CFEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3)cs2)c1 585292488 NLSYWUDRQAJDJT-NSHDSACASA-N 285.376 2.968 30 40 CFEB C=CCOc1ccc(Cl)cc1C(=O)N[C@H]1CCCOC1 19016102 ZSRNGKFWHUXXDB-LBPRGKRZSA-N 295.766 2.814 30 40 CFEB CO/N=C/C(=C\Nc1ccc(Cl)cc1)[N+](=O)[O-] 100915349 VVQYIGODFWXBQT-OIGXVCCLSA-N 255.661 2.502 30 40 CFEB CC(C)(C)c1nnc(NC(=O)N2CCC(C#N)CC2)s1 105012157 PPMZOEVIDXSQEQ-UHFFFAOYSA-N 293.396 2.603 30 40 CFEB C[C@@H](Nc1cc(-n2ccnc2)ncn1)c1ccc(C#N)cc1 77488530 ICJDHJVQCRZFKV-GFCCVEGCSA-N 290.330 2.707 30 40 CFEB Cc1ccc([C@H]2CCCC[C@@H]2OS(C)(=O)=O)cc1 1706514 ADBLBUZAIOEZBQ-KGLIPLIRSA-N 268.378 2.997 30 40 CFEB C=CCSc1nnc(-c2cccc(OC)c2)n1C 12886885 PKZSDCGALQJYPQ-UHFFFAOYSA-N 261.350 2.769 30 40 CFEB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1 3556039 FCMSTYZZWPKRMO-UHFFFAOYSA-N 294.310 2.906 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)c1ccccc1 63001481 COBPJYKHJUQXQL-HNNXBMFYSA-N 283.287 2.612 30 40 CFEB Cc1cc(C)nc(N/N=C/c2c[nH]nc2-c2ccccc2)n1 13656102 CSRIBYVDPVHTBM-VCHYOVAHSA-N 292.346 2.930 30 40 CFEB COc1cc(C#N)ccc1OCC(=O)c1ccc(F)cc1 5629835 SJDMBOBDJQNWDZ-UHFFFAOYSA-N 285.274 2.968 30 40 CFEB C[C@H](NCc1ccc(C#N)cc1F)[C@H](C)n1cccn1 69952171 XJTFYQLZGDFISY-RYUDHWBXSA-N 272.327 2.633 30 40 CFEB C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1O 97096852 QSKDHPXBVLDEGU-ZANVPECISA-N 284.281 2.784 30 40 CFEB C=CCCCn1nc(C)c([C@H](C)C(=O)OC)c1C 95431597 SGECKRKUEPQFCR-JTQLQIEISA-N 250.342 2.743 30 40 CFEB CCN(C[C@@H](C)C#N)c1sc(C(C)=O)cc1[N+](=O)[O-] 95465670 SFXMXEFQGJVLHL-QMMMGPOBSA-N 281.337 2.845 30 40 CFEB Cc1noc(C)c1CN(C)Cc1cccc(C#N)c1 95349807 SINGOMKIMYFWQV-UHFFFAOYSA-N 255.321 2.795 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 408710074 NRORRYCLVMOKID-UONOGXRCSA-N 282.428 2.768 30 40 CFEB Cc1ccc(NC(=O)NCC#CCN2CCCC2)cc1C 75164673 BXEBSOOCEYLWDY-UHFFFAOYSA-N 285.391 2.524 30 40 CFEB C=C(Br)CN(C)[C@@H](C)c1ccccn1 96485809 LHIKXZRJJKSRIJ-JTQLQIEISA-N 255.159 2.983 30 40 CFEB N#CCN(C(=O)CCCOCCc1ccccc1)C1CC1 58357950 HCDNUJSRFRNKHO-UHFFFAOYSA-N 286.375 2.540 30 40 CFEB CC[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1F 40357821 QANQIAXQOUOQKD-GFCCVEGCSA-N 254.692 2.901 30 40 CFEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N/O)c1ccccc1 100946277 MVRJKCVBRDYVOI-NXSRCCIVSA-N 293.326 2.904 30 40 CFEB Cc1nc(CC(=O)OCc2ccccc2C#N)cs1 22581595 KVPDAWQJBSNRMM-UHFFFAOYSA-N 272.329 2.609 30 40 CFEB Cc1ccc2c(c1)/C(=N/Nc1ccccn1)C(O)=N2 57596411 KAKWHMSRPWWRFH-UHFFFAOYSA-N 252.277 2.808 30 40 CFEB N#Cc1ccc(OCCN2CCc3ccccc32)cc1 15259492 KANRKUZHVUQYHL-UHFFFAOYSA-N 264.328 3.000 30 40 CFEB CN1C(=O)N(Cc2ccc(C#N)cc2)C(=O)C12CCCCC2 15572289 YPHLVNHWTCOKSF-UHFFFAOYSA-N 297.358 2.655 30 40 CFEB N#Cc1ccccc1OCc1nnc(-c2ccco2)o1 8428954 CFMYSULHIOLBEU-UHFFFAOYSA-N 267.244 2.780 30 40 CFEB C=CCCO[C@@H](C)C(=O)OCC#Cc1cccc(OC)c1 72295174 GNMQUGVLCWMEHH-AWEZNQCLSA-N 288.343 2.571 30 40 CFEB CN(C)c1ccc(N/C(S)=N\C[C@H]2CCCO2)cc1 8685028 XKWWXQRVBNYOAD-CYBMUJFWSA-N 279.409 2.629 30 40 CFEB Cc1oc(-c2ccsc2)nc1Cn1cnc(C#N)c1C#N 97379995 SOADSDFUWQNFBG-UHFFFAOYSA-N 295.327 2.700 30 40 CFEB COc1ccccc1/N=C/c1ccc(N2CCOCC2)o1 409013730 NVCHTCRKGSFGMH-SFQUDFHCSA-N 286.331 2.875 30 40 CFEB N#CCN[C@@H](c1c(F)cccc1F)C(F)(F)F 96500240 OCFRWYXWZGDKIT-VIFPVBQESA-N 250.170 2.681 30 40 CFEB C=CCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 69160920 BSHHMJZTHWYRCH-JKSUJKDBSA-N 281.359 2.743 30 40 CFEB N#Cc1cccnc1NCCNc1nc2ccccc2o1 52189520 VKONZSYFCASCNU-UHFFFAOYSA-N 279.303 2.618 30 40 CFEB N#Cc1cccc(NC(=O)NCC#Cc2ccccc2)c1 78432548 NQSOMSJBVQKLAS-UHFFFAOYSA-N 275.311 2.731 30 40 CFEB N#CCc1cc(Br)c2c(c1)C=CCO2 62152128 SWAUJJXVWQQWRG-UHFFFAOYSA-N 250.095 2.921 30 40 CFEB in-vitro C[C@H]1CN(CC#C[C@]2(C)CCCC(C)(C)O2)C[C@H](C)O1 12417991 SMDJPRWUUWXCAB-ZOBUZTSGSA-N 279.424 2.837 30 40 CFEB O/N=C(\C[n+]1ccccc1)c1ccc(Br)cc1 100708619 MGZKYLXPDFPSHU-FYWRMAATSA-O 292.156 2.615 30 40 CFEB N#Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 2655936 NYFFIXPNCVQTME-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB N#Cc1ccc(Cn2cc(Br)cn2)cc1 38054256 JTSYAJZBCLXXMU-UHFFFAOYSA-N 262.110 2.566 30 40 CFEB C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccccc1C#N 6291340 ZDICZCMMPMUYEO-STQMWFEESA-N 298.342 2.785 30 40 CFEB OCCN1CCS/C1=N\c1ccccc1C(F)(F)F 6940093 JNLPWVLOLXMRPK-WJDWOHSUSA-N 290.310 2.734 30 40 CFEB C=CCNC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569391 YSOCIJCUTLWGHC-UHFFFAOYSA-N 282.347 2.753 30 40 CFEB CN(CC(=O)Nc1ccccc1C#N)C1CCCCC1 7786532 UBALJAMKLGUGJR-UHFFFAOYSA-N 271.364 2.761 30 40 CFEB COc1ccc(OC)c(CNc2cccc(CC#N)n2)c1 83925580 SXIQXYDFKQOPFG-UHFFFAOYSA-N 283.331 2.777 30 40 CFEB C(=N\Nc1ccccc1)\c1cnn(-c2ccccc2)n1 34902124 BISHRYUMFMJMIU-WJDWOHSUSA-N 263.304 2.713 30 40 CFEB N#Cc1c(C2CC2)nn(Cc2ccccc2Cl)c1N 225839259 IANGBOIHBZWKBB-UHFFFAOYSA-N 272.739 2.916 30 40 CFEB CO/N=C1\C[C@@H]2[C@H]3C4C5[C@H](C=C[C@@H]5[C@H]5/C(=N/OC)C[C@H]2[C@H]45)[C@@H]13 43762068 NEQASLFCPZMGNJ-LISLCCMQSA-N 298.386 2.571 30 40 CFEB N#Cc1ccc(NCCCC(=O)OC2CCCC2)nc1 95395970 GXLFMMFVXDAYIQ-UHFFFAOYSA-N 273.336 2.631 30 40 CFEB CC[S@@](=O)[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 96455595 OUNIQXMJZNERCG-FTRWYGJKSA-N 290.432 2.728 30 40 CFEB Cc1cc(C)n2cc(CNc3cccc(C#N)c3)nc2n1 98073744 NRHORZVFGCLIOK-UHFFFAOYSA-N 277.331 2.830 30 40 CFEB N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106516484 PCEKBJLPDRXDHM-CWRNSKLLSA-N 283.375 2.760 30 40 CFEB CO/N=C(/C(=O)O)c1csc(/N=C/c2ccco2)c1 97142 HMSAUOOCXSOYIU-IRBLODBNSA-N 278.289 2.527 30 40 CFEB Cc1cccc(/C(N)=N/OC(=O)C2CCCCC2)c1 12655286 CRGARLQAAMVSNY-UHFFFAOYSA-N 260.337 2.739 30 40 CFEB CCC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1564031 KPZRYSQFCAZZHZ-VOTSOKGWSA-N 250.294 2.705 30 40 CFEB N#Cc1cccc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)n1 1888842695 UNADRMGNQBLBIA-KBPBESRZSA-N 279.347 2.522 30 40 CFEB c1cc(-c2ccc(OC[C@H]3CO3)cc2)ccc1OC[C@H]1CO1 3075542 OZRVXYJWUUMVOW-ROUUACIJSA-N 298.338 2.909 30 40 CFEB C=CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1 20160982 HJTAUYCDCSWDJL-UHFFFAOYSA-N 280.371 2.784 30 40 CFEB CCN/C(S)=C(\C(=O)c1ccccc1)[n+]1ccccc1 13739206 HDBYIOGEVZYIAZ-UHFFFAOYSA-O 285.392 2.522 30 40 CFEB CC(/C=C/c1ccccc1)=N\NC(=S)NC(C)C 13878961 DDOJLIORUQXVIA-HMSDUJDUSA-N 261.394 2.948 30 40 CFEB C=CCO/N=C1\C[C@H]2[C@@H](C[C@]1(C)N(C)C)C2(C)C 4862828 KDOWIRPIALEFSJ-CNVSRZSCSA-N 250.386 2.931 30 40 CFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C[C@H](C)C[C@@H](C)C1 7386131 ZKPHFTGXJVKGKY-MCIONIFRSA-N 285.391 2.863 30 40 CFEB CN1CCc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2C1 18240937 RADZGZWPFJMKLG-UHFFFAOYSA-N 298.777 2.844 30 40 CFEB C/N=C1\S/C(=C/c2ccc(SC)cc2)C(=O)N1C 95951058 DQTOHGWIKMEGKA-SOAFUOFCSA-N 278.402 2.940 30 40 CFEB CCN1C(=O)/C(=N/c2ccc(O)cc2)c2ccccc21 409191344 WFKIWFVIERLNPC-BMRADRMJSA-N 266.300 2.880 30 40 CFEB C=CCSc1nnc(-c2ccccc2)n1CCOC 409087813 KDCQTAKGRTVBBZ-UHFFFAOYSA-N 275.377 2.870 30 40 CFEB C[C@H]1c2cccn2CCN1Cc1ccc(C#N)cc1 15415639 YDDROYRYVQHJAN-ZDUSSCGKSA-N 251.333 2.937 30 40 CFEB O=C(O)c1ccccc1/C=N/N=C\c1ccccc1O 16919784 MNGDXHQRYJWATO-IPPJXQLGSA-N 268.272 2.543 30 40 CFEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccs1 10214541 YHCRBLMGZCKNIT-JTQLQIEISA-N 292.385 2.659 30 40 CFEB CCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OCC 4717574 BOMMUCDEGHPPOO-WQLSENKSSA-N 275.304 2.800 30 40 CFEB CCOC(=O)C[C@H](C#N)c1cn(C)c2ccccc12 2403312 ODNFBOOJZNALCL-LLVKDONJSA-N 256.305 2.739 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sccc1C#N 9154609 NOQMRSOCTHDZKH-JTQLQIEISA-N 297.339 2.897 30 40 CFEB CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1CCC#N 3251873 NGMGSAXRDDXSIU-UHFFFAOYSA-N 299.330 2.649 30 40 CFEB Cc1nc(CSCCC(=O)NC2(C#N)CCC2)cs1 63476907 OHGUNHMOKZMTTD-UHFFFAOYSA-N 295.433 2.637 30 40 CFEB O/N=C1\C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 4996721 XCZYMAYEBAWIIK-HXBVQPGFSA-N 281.617 2.552 30 40 CFEB CCCn1c(C#N)cc(N)c1N1C[C@@H](C)C[C@@H](C)C1 225867076 MGYBPJNRHJDQCM-TXEJJXNPSA-N 260.385 2.834 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 96450045 GKCBHCBNTWLCGZ-MNOVXSKESA-N 268.272 2.599 30 40 CFEB N#C[C@H](C(=O)CCc1ccccc1)C(=O)NC1CCCCC1 50678725 OWGUEGDQZGOXBK-MRXNPFEDSA-N 298.386 2.777 30 40 CFEB O=C(NCC#Cc1ccccc1)c1ccc(Cl)cc1O 89821662 QRDPBRIDDUDDNV-UHFFFAOYSA-N 285.730 2.827 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1449255 JEJZMBONKMGLIM-FLIBITNWSA-N 277.370 2.779 30 40 CFEB CCCC/C(CC)=N/NS(=O)(=O)c1ccc(N)cc1 16968939 MGRFYIPILKXKDU-NTCAYCPXSA-N 283.397 2.503 30 40 CFEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C)s2)cc1 1711644 QACCEFLEPSCJEL-NTEUORMPSA-N 294.401 2.677 30 40 CFEB N#Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 5576957 ZSLRRRGJECJFBV-UHFFFAOYSA-N 255.248 2.845 30 40 CFEB N#Cc1ccccc1NC(=O)CSc1ccccn1 55244 FDMNUCNGIPOOGW-UHFFFAOYSA-N 269.329 2.684 30 40 CFEB CCCc1nn(Cc2ccc(C)cc2)c(N)c1C#N 127804350 XIFFTCKLWORMCM-UHFFFAOYSA-N 254.337 2.646 30 40 CFEB N#Cc1c(C(F)(F)F)nc2sc3ccccc3n2c1=N 4036455 JLUIYFYGEALSAT-UHFFFAOYSA-N 294.261 2.919 30 40 CFEB N#Cc1ccc(CSCC(=O)Nc2cccnc2)cc1 40119913 PGNAUUSEBFKKPB-UHFFFAOYSA-N 283.356 2.825 30 40 CFEB C[C@@H]1c2cccn2CCN1CCOc1ccc(C#N)cc1 23706809 CILPHOQVIIQSDK-CQSZACIVSA-N 281.359 2.815 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC=CCC1 25103203 WHINBIMOCSESPX-OAHLLOKOSA-N 254.333 2.873 30 40 CFEB C=CCn1c(S[C@H](C)C(=O)NCC)nc2ccccc21 6933386 RXJULHMUWREUNJ-LLVKDONJSA-N 289.404 2.839 30 40 CFEB Cn1nc(C2CCCC2)cc1NC(=O)c1c[nH]c(C#N)c1 97082042 AOWFTHUUPCWSAE-UHFFFAOYSA-N 283.335 2.530 30 40 CFEB O=C1/C(=N\O)[C@@H](c2ccccc2)Oc2ccccc21 101506681 UPAMVIOAWHMBTC-WTNDLDAUSA-N 253.257 2.833 30 40 CFEB CN(CC(=O)Nc1sccc1C#N)Cc1ccccc1 3351117 CLPWZHHBXIAUOS-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB CC(C)C[C@@H]1COCCN1c1ncc(C#N)cc1Cl 72313934 HDVZPIQYBQMLKW-GFCCVEGCSA-N 279.771 2.858 30 40 CFEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3ccccc32)cc1 39853885 YOIFVFSPGRYMLY-VLGSPTGOSA-N 296.326 2.599 30 40 CFEB C=C(Br)CNC(=O)Nc1cccc(COC)c1 65585538 FSVNOBDROXRZTK-UHFFFAOYSA-N 299.168 2.863 30 40 CFEB Fc1ccc(C2=NN/C(=N\c3ccccn3)SC2)cc1 84613270 SWYNABPRQGIZQB-UHFFFAOYSA-N 286.335 2.949 30 40 CFEB COC[C@@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 95434108 QCQIQETYNKWZGW-OAHLLOKOSA-N 266.385 2.638 30 40 CFEB Cn1ncc2c1CC/C(=C\c1ccc(F)cc1)C2=O 89745419 WGODTMOTUOTGKO-DHZHZOJOSA-N 256.280 2.772 30 40 CFEB Cc1cc(C)nc(N/N=C\c2cc(Cl)ccc2O)n1 408718580 BXRSNGXVDCHWAD-CHHVJCJISA-N 276.727 2.898 30 40 CFEB N#Cc1cncc(NC[C@H](c2cccs2)N2CCCC2)n1 521394842 VATBKFGEVXHVSP-CYBMUJFWSA-N 299.403 2.659 30 40 CFEB N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)O)cc1 3851014 MFSSVCZYXFJYSR-UHFFFAOYSA-N 281.271 2.900 30 40 CFEB biogenic C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 31157123 GQDFYCPPHMEHJL-COMQUAJESA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro Cc1ccc2c(c1)CC[C@H](/C(O)=N/CCc1ccn(C)n1)O2 330019715 VOCUEHYYCWKKKE-MRXNPFEDSA-N 299.374 2.621 30 40 CFEB CCN(Cc1ccncc1)[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2 257345363 YDIREJZUNLYUOQ-ITKCCLIKSA-N 259.353 2.532 30 40 CFEB COc1ccc(C#N)c([S@@](=O)Cc2ccccc2)c1 129816 AZRGBUZMRDSAHD-LJQANCHMSA-N 271.341 2.875 30 40 CFEB CC(=O)/C(=N\Nc1ccccc1)NNc1ccccc1 15225722 KQNFLJKRDCUATC-UHFFFAOYSA-N 268.320 2.618 30 40 CFEB Cc1cc(C(=O)CC#N)ccc1I 1857794205 VFYZNMZRSQRCJX-UHFFFAOYSA-N 285.084 2.696 30 40 CFEB COc1cccc(CN=c2[nH]cnc3ccc(C#N)cc23)c1 2037835069 WAQKSKTUZVLAMG-UHFFFAOYSA-N 290.326 2.544 30 40 CFEB N#Cc1ccsc1NC(=O)Nc1ccc2c(c1)OCO2 42381174 OASOOFGHJCGFFD-UHFFFAOYSA-N 287.300 2.992 30 40 CFEB C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 40160615 ZOCLZSMVXBVJGD-ZDUSSCGKSA-N 279.343 2.848 30 40 CFEB C#CC(CC)(CC)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 9154673 FADBKEQRXULKSD-UHFFFAOYSA-N 290.319 2.525 30 40 CFEB COc1ccc(Br)cc1/C=C1\C(=O)ON=C1C 20058637 WAFBFUBZQGTIBC-POHAHGRESA-N 296.120 2.774 30 40 CFEB Cc1cccc(N/N=C2\C=CC(=O)c3cccnc32)c1 107377831 LKGMLTQTGQSYJC-XMHGGMMESA-N 263.300 2.959 30 40 CFEB Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1C#N 3368676 HNHRLFNBNQCRDD-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB N#Cc1ccc(NC[C@H]2COc3ccccc3C2)nc1 48332611 GWHWESULABJEFI-ZDUSSCGKSA-N 265.316 2.616 30 40 CFEB CCC[C@H](C#N)NC(=O)Cc1ccc(OC)cc1Cl 96472328 ZWKZINACROHHCW-LLVKDONJSA-N 280.755 2.700 30 40 CFEB N#CC1(C(=O)NCc2ccnc(OCC3CC3)c2)CCCC1 67337378 UPCDJDRCZOUMSQ-UHFFFAOYSA-N 299.374 2.571 30 40 CFEB C=CCO[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 68764985 GTWAGGSNVMJIGP-SWLSCSKDSA-N 299.374 2.818 30 40 CFEB c1ccc(C2(CN/C(=N\C3CC3)NC3CC3)CC2)cc1 72271929 AMGIODRMDSLEHT-UHFFFAOYSA-N 269.392 2.578 30 40 CFEB Cc1ccc(/C(N)=N/OC(=O)c2c[nH]c3ccccc23)cc1 98212043 YQSLERGJMNOLHI-UHFFFAOYSA-N 293.326 2.954 30 40 CFEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1O 38199968 HPVVEEALGSWGAM-DHDCSXOGSA-N 287.275 2.755 30 40 CFEB C[C@@H]1CN(c2ccccc2F)CCN1CCCC#N 191618423 FRBMXCMIWQILKM-CYBMUJFWSA-N 261.344 2.640 30 40 CFEB CCn1c(C#N)cc(N)c1Oc1ccc(OC)cc1 225884308 NVIRALSYFCLUAB-UHFFFAOYSA-N 257.293 2.763 30 40 CFEB C=C[C@H](O)C#CC#C[C@@H](/C=C/CCCCC)OC(C)=O 95933357 BSDJVZWJXREWPD-DKTLHIEFSA-N 274.360 2.608 30 40 CFEB biogenic N#Cc1cc(Br)cc(C(F)(F)F)n1 204115264 DJHCLJZOYOJTHI-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB Cc1ccc2c(c1)OC(=O)/C(=C\C(=O)c1ccco1)N2 100224722 MXSHMGZUNYVIPG-DHZHZOJOSA-N 269.256 2.686 30 40 CFEB C=CCOC(CC(OCC=C)OCC=C)OCC=C 4582792 NEEDSGVZOLMNNC-UHFFFAOYSA-N 268.353 2.839 30 40 CFEB CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCOCC1 58701140 QKGNKFUOEZFFDM-UHFFFAOYSA-N 286.375 2.723 30 40 CFEB N#CCCN1CCC(c2nc3ccccc3o2)CC1 12909516 VPRGHZGPYABSIV-UHFFFAOYSA-N 255.321 2.921 30 40 CFEB COc1ccc(C(=O)O)c(OCc2ccc(C#N)cc2)c1 13084002 OSDPIXQZMKMPEC-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB Cc1ccc(C)c(-n2cnnc2S[C@H](C)C#N)c1 7319573 MKXCPNQQRJBXFR-LLVKDONJSA-N 258.350 2.888 30 40 CFEB O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(O)n[nH]c1N2 18200376 LLUMAVTXRNXVHR-GFCCVEGCSA-N 299.305 2.819 30 40 CFEB N#CC1(COC(=O)c2cccc3cc[nH]c23)CCOCC1 97056715 PGMQNCGECHDKQN-UHFFFAOYSA-N 284.315 2.645 30 40 CFEB Cn1nccc1/C=C1\Cc2cc(Cl)ccc2C1=O 72302512 WMKNPVAEMQSDQJ-CSKARUKUSA-N 258.708 2.896 30 40 CFEB C=CCN1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O 409096912 FFWSZQFJQDMSCG-XYOKQWHBSA-N 276.361 2.864 30 40 CFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cccs2)cc1 36618035 FNCFLSFYJBGWST-ZDUSSCGKSA-N 299.351 2.922 30 40 CFEB CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cccnc1 409051326 CCVJBVWLABXQGK-JXAWBTAJSA-N 284.315 2.706 30 40 CFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1cccnc1)C2 85878711 MNWDHIGNWMVSCE-MLPAPPSSSA-N 281.311 2.921 30 40 CFEB biogenic CO[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccsc1 96103325 LHOOZTIVILZIRS-CQSZACIVSA-N 286.356 2.737 30 40 CFEB CC(=O)COCCC(F)(F)C(F)(F)C(F)(F)F 1565660571 XSLIHAHZSIOFSZ-UHFFFAOYSA-N 270.144 2.815 30 40 CFEB C=CCOC(=O)c1ccc(N2CCCCCC2)nc1 95948755 RJZDXIABCOGPHA-UHFFFAOYSA-N 260.337 2.805 30 40 CFEB N#Cc1ccnc(NCCC2=CCCC2)c1[N+](=O)[O-] 95973491 BFAKPVSFBWRGRI-UHFFFAOYSA-N 258.281 2.774 30 40 CFEB C=C(C)CN1CCC(OC[C@@H]2CCCCO2)CC1 96455940 MKBGFYYAELYTTM-HNNXBMFYSA-N 253.386 2.613 30 40 CFEB C/C(CCSCc1ccccc1)=N\NC(N)=S 11612530 ZTBLQMYQBZFPBQ-GXDHUFHOSA-N 267.423 2.519 30 40 CFEB CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](C)S2)cc1 13591564 QGFCFTHXUFBIKS-CYANDVJASA-N 275.377 2.751 30 40 CFEB Cc1ccc(/C=N\NS(=O)(=O)c2ccccc2)c(C)c1 17189499 SDUMLWVFOBPLIH-WJDWOHSUSA-N 288.372 2.616 30 40 CFEB C[C@H]1S/C(=N\c2cccc(Br)c2)NC1=O 7276996 AWVXZUVPFJERPK-ZCFIWIBFSA-N 285.166 2.688 30 40 CFEB Cc1nnc(S)n1/N=C/c1ccc(Br)cc1 5410208 GMXLERDQJFTKRS-WUXMJOGZSA-N 297.181 2.520 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 3407470 BOHFGWUNTUWPDC-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CCCCCCOC(=O)/N=C(\N)c1ccc(N)cc1 80018599 QNEVYUOYQNDIEJ-UHFFFAOYSA-N 263.341 2.691 30 40 CFEB in-vitro CSC[C@](C)(O)CNc1cc(C#N)c2ccccc2n1 79017076 LXLTZNJWZXGEHJ-OAHLLOKOSA-N 287.388 2.632 30 40 CFEB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccccc1C#N 2805339 FSCRCFHGHOEWCU-SNVBAGLBSA-N 288.738 2.683 30 40 CFEB CCN(CC)CC#CCOC(=O)Nc1ccccc1 3157207 HEVCNGHPCDMIHZ-UHFFFAOYSA-N 260.337 2.580 30 40 CFEB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)CCC#N 58391537 SVLVGYGPVDGUDM-CQSZACIVSA-N 286.375 2.877 30 40 CFEB Oc1cccc(/C=N/c2ccccc2N2CCOCC2)c1 3239249 NEQIQNFNGDDDKE-QGOAFFKASA-N 282.343 2.979 30 40 CFEB COC(=O)c1ccccc1N(C)C(=O)c1cccc(C#N)c1 12776418 STMWYAFMGLAJEV-UHFFFAOYSA-N 294.310 2.621 30 40 CFEB C[C@@H](NCC#Cc1ccccc1)[C@H](O)c1ccccc1 22213579 GCQXUEHPSYDAAL-QAPCUYQASA-N 265.356 2.750 30 40 CFEB Cc1nn(C)c(C)c1NC(=O)Nc1ccc(C#N)cc1 12874364 OFWORJNVPZCNLL-UHFFFAOYSA-N 269.308 2.553 30 40 CFEB Cc1ccc(O)c(NC(=O)CSc2ncccc2C#N)c1 9295495 HPEAWVFMZOBPHC-UHFFFAOYSA-N 299.355 2.698 30 40 CFEB COC(=O)c1c(C)[nH]c(/C=N/Nc2ccccc2)c1C 4752108 PVPJCMLZEPSVTK-CXUHLZMHSA-N 271.320 2.864 30 40 CFEB C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 72272054 XYBJBDJCOSOAKN-NEPJUHHUSA-N 280.393 2.788 30 40 CFEB CO[C@H](CNC(=O)c1ccc(C#N)cc1)c1ccccc1C 96104926 PVVWRVGNCIPAMU-QGZVFWFLSA-N 294.354 2.984 30 40 CFEB C[C@@H](NCCOc1cccnc1)c1ccc(C#N)cc1 95987910 KJTPICRRXUEZIX-CYBMUJFWSA-N 267.332 2.683 30 40 CFEB C[N+](C)(C)/C=C/C(=O)c1ccc(Br)cc1 157965 LLGCFTGJPXBSCT-CMDGGOBGSA-N 269.162 2.852 30 40 CFEB COc1nc(C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 306445618 QUXQNMGFLCKBKW-UHFFFAOYSA-N 277.173 2.513 30 40 CFEB O=[N+]([O-])c1cccc(/C=N/n2cnc3ccccc32)c1 6147419 AKCHBHAIRTVMTK-CXUHLZMHSA-N 266.260 2.827 30 40 CFEB O=[N+]([O-])c1ccc(F)c(/N=C/c2cccc(O)c2O)c1 357946 QIARCELABVEZLM-VIZOYTHASA-N 276.223 2.896 30 40 CFEB N#CCCCN1CCCN(Cc2ccc(F)cc2)CC1 55504447 MOVZWHYOACXREN-UHFFFAOYSA-N 275.371 2.637 30 40 CFEB COc1ccc(C/C(N)=N/OC(=O)c2ccc(C)cc2)cc1 4905749 PPZAUQAZQQAYCO-UHFFFAOYSA-N 298.342 2.675 30 40 CFEB COc1ccc(/N=C/c2ccc(OCC(=O)O)cc2)cc1 6642461 GIXUZZOBGNAQDU-LICLKQGHSA-N 285.299 2.909 30 40 CFEB CS(=O)(=O)c1ccc(OCc2ccccc2C#N)cc1 35055574 VCRZHRIBKLZYBM-UHFFFAOYSA-N 287.340 2.541 30 40 CFEB N#C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 37357161 KTYBOGFKROWNJQ-LBPRGKRZSA-N 270.254 2.602 30 40 CFEB C/C(Cl)=N\S(=O)(=O)c1ccc(Cl)cc1 101027938 QXSFPQJZUJRYEG-IZZDOVSWSA-N 252.122 2.686 30 40 CFEB O=S(=O)(Cc1ccccc1)/N=C(\O)C1CCCC1 48519355 OOYBLUMMKDOMPJ-UHFFFAOYSA-N 267.350 2.663 30 40 CFEB COc1cccc(/C=C2\Oc3ccc(O)cc3C2=O)c1O 4108033 RPDACWPAOYKKEZ-AUWJEWJLSA-N 284.267 2.723 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2)cc1 4188141 WGVQPYDRRQOJQL-NTEUORMPSA-N 257.249 2.746 30 40 CFEB O=C(O)c1cccc(N/N=C2/CCOc3ccccc32)c1 39716146 LARRXXJCIHTHJO-JXAWBTAJSA-N 282.299 2.984 30 40 CFEB O=c1c2ccccc2nc(NN=C2CCCCCC2)n1O 5271849 OMJLINQFLZPKKE-UHFFFAOYSA-N 286.335 2.756 30 40 CFEB Cc1ccccc1/C=N/n1c(S)nnc1C(F)(F)F 5730777 LGPSPDOJOHZPPH-GIDUJCDVSA-N 286.282 2.776 30 40 CFEB C/N=C(/NCCc1cccs1)N(C)Cc1ccccc1 72271865 DIDMXHXPALVNOA-UHFFFAOYSA-N 287.432 2.998 30 40 CFEB N#Cc1cc(NC[C@H]2CSCCS2)ccc1[N+](=O)[O-] 97145062 ANLBWFHFWJMBDT-NSHDSACASA-N 295.389 2.727 30 40 CFEB COc1ccc(C)cc1C[S@@](=O)CCCC#N 123537335 RMZSMYQSJAWVJD-QGZVFWFLSA-N 251.351 2.556 30 40 CFEB C=CCN1C(=O)S/C(=C\Nc2ccc(F)cc2)C1=O 36636242 DDAUWKPETGTXDF-FLIBITNWSA-N 278.308 2.960 30 40 CFEB CC#CCCCOC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 95414199 MXZYDLQSGRGTTG-UHFFFAOYSA-N 283.331 2.740 30 40 CFEB CC(C)(C)CN(CCC#N)CC(=O)Nc1ccccc1 71893014 JKUOOXIOGAKMBL-UHFFFAOYSA-N 273.380 2.887 30 40 CFEB C=CCN(C(=O)c1cccc(OC)n1)c1ccccc1 75108124 JLAWERJMFFSAHC-UHFFFAOYSA-N 268.316 2.923 30 40 CFEB C=CC(=O)OCCC(F)(C(F)(F)F)C(F)(F)F 144987192 VKTOYEVNZZFKDC-UHFFFAOYSA-N 268.128 2.939 30 40 CFEB N/C(=N\O)C1(NC(=O)c2ccc(Cl)cc2)CCCCC1 12357190 XVQAYPPJXZBDCR-UHFFFAOYSA-N 295.770 2.519 30 40 CFEB COc1cccc(C(=O)/C=C2/Nc3ccccc3NC2=O)c1 12950159 BZENEAZERGFZTJ-XNTDXEJSSA-N 294.310 2.826 30 40 CFEB Cc1cc(=O)oc2c(/C=N/c3ccccn3)c(O)ccc12 13234313 WYWAADDFFWMGTM-GIJQJNRQSA-N 280.283 2.953 30 40 CFEB C/C(=N\OC(=O)C1CCCCC1)c1nccs1 6261794 RRXZTDHBRAEGPA-NTEUORMPSA-N 252.339 2.991 30 40 CFEB in-vitro O/C(Cc1csc(-c2cccs2)n1)=N\c1ncn[nH]1 23141999 QXBKXPKYINGFEA-UHFFFAOYSA-N 291.361 2.820 30 40 CFEB COC(=O)CSc1nc2cc(C)ccc2cc1C#N 422309 JDQNOEQHJFRTMF-UHFFFAOYSA-N 272.329 2.680 30 40 CFEB N#CC1=NN(c2ccccc2)CC(c2ccccc2)=N1 6529291 UXMJDIBRWRZUMQ-UHFFFAOYSA-N 260.300 2.833 30 40 CFEB CC(C)c1ccc(NC(=O)C[n+]2ccc(N(C)C)cc2)cc1 3322058 LTQDWEHSHFGNQL-UHFFFAOYSA-O 298.410 2.802 30 40 CFEB COC(=O)/C(=C/c1ccc(C#N)cc1)c1ccncc1 71795734 RRIRBIISICEVSS-XNTDXEJSSA-N 264.284 2.667 30 40 CFEB C[C@H](CC(=O)NC1(C#N)CC1)Cc1cccc(F)c1 73727496 YPBPAMSAAFYVBT-NSHDSACASA-N 260.312 2.567 30 40 CFEB Cc1nc(C#N)c(NC[C@@H](c2cccs2)N(C)C)o1 27793388 GCGPXDAPWSSXAB-NSHDSACASA-N 276.365 2.631 30 40 CFEB N#CCc1ccc(NC(=S)NCc2cccnc2)cc1 225331125 HXCXVRQSWASKHU-UHFFFAOYSA-N 282.372 2.634 30 40 CFEB C=CCSc1nc(N)c(C#N)c(COc2ccccc2)n1 223680764 NCURJMZWTBADQR-UHFFFAOYSA-N 298.371 2.788 30 40 CFEB N#CCC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 169801736 BWYKKBDOVMEKFC-UHFFFAOYSA-N 258.155 2.710 30 40 CFEB N#Cc1ccc(N2CCC[C@@H](c3nccs3)C2)cn1 195553164 JRPWKBAWFBHXQG-LLVKDONJSA-N 270.361 2.794 30 40 CFEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn2nnnc12 5685012 ZJRHCWAUBHEHME-UHFFFAOYSA-N 298.309 2.725 30 40 CFEB Cc1nnc(N=[N+]=[N-])n1/N=C/c1c[nH]c2ccccc12 16363383 XZBZFQLDDJFYRK-VIZOYTHASA-N 266.268 2.892 30 40 CFEB CCOc1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1OC 32736008 IQARAOYOFBZLAP-MRXNPFEDSA-N 288.347 2.516 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCc2ccccc21 32830761 JYDCYLHRJDQGQC-RDTXWAMCSA-N 299.418 2.882 30 40 CFEB CSc1ccccc1C(=O)N[C@](C)(C#N)C1CC1 32859919 JTWJKEPMERXCMM-CQSZACIVSA-N 260.362 2.831 30 40 CFEB N#CCC1(COC(=O)[C@H]2CCOc3ccccc32)CC1 78949128 SVCLUBUGCKGLSU-ZDUSSCGKSA-N 271.316 2.790 30 40 CFEB N#CCCN(CCC#N)C(=O)c1ccc(Cl)cc1 3161740 ZLBDPVOLPCUMQY-UHFFFAOYSA-N 261.712 2.610 30 40 CFEB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C#N)c(C)o1 3249874 AOGPCPSEEOQSKD-UHFFFAOYSA-N 298.298 2.564 30 40 CFEB CN1CCCCCC(=N/O)/C(=N/O)CCCCC1 104075577 FRTSXIXTWLTUNW-PMJBJKLVSA-N 255.362 2.713 30 40 CFEB N/C(=N/O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 12375113 ONVQHVKCTQWMJN-SECBINFHSA-N 263.728 2.988 30 40 CFEB CC[C@@H](CC#N)NC(=O)c1cc(C)c(F)cc1F 96009273 UXAKOUXIOBTNMZ-VIFPVBQESA-N 252.264 2.695 30 40 CFEB COc1ccc(/C=N/Nc2nccnc2Cl)c(OC)c1 4595748 PZQNZFSGOVVLKX-CAOOACKPSA-N 292.726 2.593 30 40 CFEB Cc1cc(C(=O)N(CC#N)C2CC2)c(C)n1-c1cccnc1 65894887 JNYWVCOGVYPAPM-UHFFFAOYSA-N 294.358 2.617 30 40 CFEB Cc1ccn2cc(C(=O)Nc3ccc(C#N)cc3)nc2c1 9318977 PZEJWJYKBQXXDQ-UHFFFAOYSA-N 276.299 2.767 30 40 CFEB C=CCCOC(=O)c1ccc(F)c(NC(C)=O)c1 71803566 UWWVPXNKBORISU-UHFFFAOYSA-N 251.257 2.517 30 40 CFEB N#Cc1cccc(NC(=O)NCC[C@@H](O)c2ccccc2)c1 75536096 DPAZQPWFHPBHBX-MRXNPFEDSA-N 295.342 2.803 30 40 CFEB C=CCNC(=O)CSc1ncc(C(C)C)n1C(C)C 96416353 FYAISAKOOLNQST-UHFFFAOYSA-N 281.425 2.982 30 40 CFEB C=CCOC(=O)Nc1ccccc1C(=O)OCC=C 255187223 CBPQTUQIUPVXND-UHFFFAOYSA-N 261.277 2.764 30 40 CFEB CNc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 15626594 LCBLILIMQSOZNW-UHFFFAOYSA-N 296.286 2.760 30 40 CFEB N#Cc1ccc(N2CC[C@H](N3CC=CC3)C2)cc1Cl 102346679 ZIKWQPXHNQKYAO-AWEZNQCLSA-N 273.767 2.662 30 40 CFEB CCc1noc(C)c1C(=O)Nc1ccc(C#N)cc1 6998831 WOWOCEHIDUPPJQ-UHFFFAOYSA-N 255.277 2.669 30 40 CFEB CN(Cc1cccnc1)C(=O)CCc1ccc(C#N)cc1 40017313 WBPYNMWFALNMKQ-UHFFFAOYSA-N 279.343 2.544 30 40 CFEB C[C@H](Oc1cccc(Cl)c1)C(=O)/C=C/N(C)C 1404250 IUCFDMWFOHWDFV-JARNTUPDSA-N 253.729 2.752 30 40 CFEB N#Cc1cccnc1Sc1nnc(NC2CC2)s1 12532922 OZAKVNNAKOCCKF-UHFFFAOYSA-N 275.362 2.530 30 40 CFEB C[C@H](CNc1c(F)cc(C#N)cc1F)CN1CCCC1=O 58192341 NKFPSCBPYTXBLK-SNVBAGLBSA-N 293.317 2.507 30 40 CFEB C=CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3 20393633 DWDUIWZRQMBLOA-UHFFFAOYSA-N 292.433 2.540 30 40 CFEB Cc1cccc(C)c1-n1nnnc1SCCCC#N 12882652 DWPFWHUPJHKZQJ-UHFFFAOYSA-N 273.365 2.675 30 40 CFEB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 13002339 YGRDCWUWUJOSCA-UHFFFAOYSA-N 298.317 2.848 30 40 CFEB C#CCN(C(=O)NC(C)C)[C@@H]1CCc2ccccc21 65607936 FOZXVYAKOYSIDM-OAHLLOKOSA-N 256.349 2.727 30 40 CFEB COc1ccccc1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 14472304 LNNALUVVQIHEOU-GFCCVEGCSA-N 297.310 2.940 30 40 CFEB C/C(=N/OC(=O)c1ccc(Cl)cc1)c1cnccn1 5624680 LPIBRBZTNLJTHL-MFOYZWKCSA-N 275.695 2.711 30 40 CFEB Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2C)n1 66406052 ORPABORRACNRMO-HNNXBMFYSA-N 265.316 2.693 30 40 CFEB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C#N)cc1 7976321 GMPMJFBWDJNWGF-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB CCCc1cc(=O)[nH]c(N/N=C(\C)c2cccs2)n1 7994951 OHYHQMADQHPHQC-CXUHLZMHSA-N 276.365 2.620 30 40 CFEB C[C@H]1COCCN1c1cc(C#N)c2cc(Cl)ccc2n1 71914498 PPHLFQJYSWEXJN-JTQLQIEISA-N 287.750 2.985 30 40 CFEB N#CCCN(C[C@@H]1CCOC1)C(=O)c1cccc2[nH]ccc12 88426473 SDTBSJGWHIJXMZ-ZDUSSCGKSA-N 297.358 2.560 30 40 CFEB COc1ccccc1CNc1ccc(N)cc1C#N 20134918 JUEGILGWKXMPBW-UHFFFAOYSA-N 253.305 2.761 30 40 CFEB CCOC(=O)[C@@H](C#N)c1cccc(C(F)(F)F)c1 34607369 AUUMEFXEQLSWBU-JTQLQIEISA-N 257.211 2.876 30 40 CFEB Cc1nnc(Oc2cccc(-n3cccn3)c2)c(C#N)c1C 77982600 GXWAAEHQBYBBIQ-UHFFFAOYSA-N 291.314 2.943 30 40 CFEB O=C(NO)c1ccc(-c2ccc(Br)cc2)o1 226290103 WAOBCPSUZZKPIN-UHFFFAOYSA-N 282.093 2.828 30 40 CFEB C=CCN(CC=C)C(=O)c1c(-c2ccccn2)noc1C 193124085 XXCGFLWDSCJCNJ-UHFFFAOYSA-N 283.331 2.859 30 40 CFEB C=CCN(C[C@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 191056501 JBSFWONWUVKEQT-XHSDSOJGSA-N 297.464 2.654 30 40 CFEB N#CCC1(COC(=O)c2cccc(-n3cccn3)c2)CC1 96442795 WRJXHJNDPUTKNT-UHFFFAOYSA-N 281.315 2.723 30 40 CFEB O=C(NCC#Cc1ccccn1)c1coc2ccccc12 95450241 ROQRCMDMMQLOEA-UHFFFAOYSA-N 276.295 2.609 30 40 CFEB CCCCCCCCS(=O)(=O)CCCCO 98008412 WGIPWANNMKQIOK-UHFFFAOYSA-N 250.404 2.534 30 40 CFEB COc1ccc(OC)c([C@H](OC[C@@H]2CO2)C(F)(F)F)c1 95095969 TVLGZKBCUVOGKQ-CABZTGNLSA-N 292.253 2.723 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 1647045 FXKCXGBBUBCRPU-UXOAXIEHSA-N 252.354 2.985 30 40 CFEB biogenic,in-vitro CC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C#N 23993544 HNCXZHPRLXJDHD-CYBMUJFWSA-N 278.377 2.511 30 40 CFEB CCn1cc(-c2c(C#N)c(N)nc3c2CCCC3)c(C)n1 20601940 BNBNZPLSVVOCFA-UHFFFAOYSA-N 281.363 2.606 30 40 CFEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(O)cc1O 4783205 SQQNYFMYKXCRKD-ORCRQEGFSA-N 284.267 2.723 30 40 CFEB N#CCCC(=O)c1ccccc1I 2392833 XAQANQOKYKASBM-UHFFFAOYSA-N 285.084 2.778 30 40 CFEB CC[C@@](Cl)(C#N)[C@H](c1ccccc1)N1CCOCC1 20458651 JGSIPKUUXKQROQ-LSDHHAIUSA-N 278.783 2.971 30 40 CFEB CSC1=C(SC)C(=O)C(Cl)=C(Cl)C1=O 100700283 AHJBACSANAZEJE-UHFFFAOYSA-N 269.174 2.765 30 40 CFEB C=CCN1C(=O)/C(=C\Nc2ccccc2)SC1=S 13125554 DDKRKSKODPLKCC-PKNBQFBNSA-N 276.386 2.986 30 40 CFEB Cc1cc(C)c(C#N)c(SCc2ccc(C(N)=O)cc2)n1 9379170 GTLCOBZNYKJSRQ-UHFFFAOYSA-N 297.383 2.961 30 40 CFEB CC#CCCCC(=O)Nc1ccc(C(=O)OC)cc1 4320629 MFLUTVNNFZXDDL-UHFFFAOYSA-N 259.305 2.605 30 40 CFEB C/N=C(/NCCC1=CCOCC1)N1CC[C@H](CC(C)C)C1 95974181 WFMXNMGOKWJROU-MRXNPFEDSA-N 293.455 2.667 30 40 CFEB CC1(C)C[C@H](NCCC#N)C[C@](C)(CNCCC#N)C1 33611228 HEUAYLFWKXGPEA-HOCLYGCPSA-N 276.428 2.578 30 40 CFEB C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCC 222751320 KGJYGMISEMHLOM-CQSZACIVSA-N 288.391 2.506 30 40 CFEB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)cc1C#N 225797079 QHVWQDNUHAPNTK-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB CCCS(=O)(=O)/N=C(\O)CCc1cccc(Cl)c1 96416207 HHFDADZSKFJWOS-UHFFFAOYSA-N 289.784 2.969 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@H]2O[C@@]2(C#Cc2ccccc2)C1 95951386 WEKDGBQFSYUYEI-QAPCUYQASA-N 299.370 2.817 30 40 CFEB Fc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)c(F)c1 95096118 GNNXGDCSNDXBDS-OIBJUYFYSA-N 268.181 2.984 30 40 CFEB C=CC[C@H](CC)NC(=O)NCc1ccc(O)c(OC)c1 252484457 FWUAHBGLTQBORL-LBPRGKRZSA-N 278.352 2.555 30 40 CFEB CCOC(=O)[C@@H](C#N)c1ccc(OC)c(Br)c1 584602997 KCSMQRDMJWRDQH-VIFPVBQESA-N 298.136 2.628 30 40 CFEB Cc1ncsc1/C=C/C(=O)c1ccc2[nH]c(=O)[nH]c2c1 78693505 SUAPFEPJVIGJIV-SNAWJCMRSA-N 285.328 2.517 30 40 CFEB CN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 6429859 RTMJZHDLXWKYAF-UHFFFAOYSA-N 268.291 2.970 30 40 CFEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CC1 103513102 ODFJPBUFAZSYTP-LBPRGKRZSA-N 266.300 2.778 30 40 CFEB C[C@@H](CC#N)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12 78420486 QEAAXUURYNWJHL-JTQLQIEISA-N 273.311 2.610 30 40 CFEB O=C(C[n+]1ccccc1)Nc1ccccc1C(F)(F)F 4129533 YQKDQULSANYGFU-UHFFFAOYSA-O 281.257 2.632 30 40 CFEB O=c1[nH]nc(-c2ccccc2)n1/N=C/C=C/c1ccccc1 8782911 VUVIYOICCIVIJZ-CVUDBVLYSA-N 290.326 2.786 30 40 CFEB CCN(CC)CCS[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2 100965138 GVFGLOFMASWGON-UIEAIMIQSA-N 256.415 2.690 30 40 CFEB N#CC1(NC(=O)CCc2ccc(F)cc2)CCSCC1 95440092 USNLSZXWVIWFGU-UHFFFAOYSA-N 292.379 2.664 30 40 CFEB CC(=O)/C(=C/Nc1ccc(Cl)cn1)C(=O)C(F)(F)F 100068249 BSWSLZFANXAGCE-YVMONPNESA-N 292.644 2.751 30 40 CFEB COc1ccccc1C(=O)Nc1sccc1C#N 2692894 ODACPRUFHCIAQQ-UHFFFAOYSA-N 258.302 2.881 30 40 CFEB CCN(C(=O)[C@@H](C)OC)c1ccc(C#N)c(Cl)c1 91206360 VDYKTGATYZJSPA-SECBINFHSA-N 266.728 2.599 30 40 CFEB CCC[C@@H](C#N)NC(=O)[C@H](C)Sc1ccc(OC)cc1 69490794 MWIIHLSIPYSFNE-RYUDHWBXSA-N 292.404 2.984 30 40 CFEB COCc1cc(C)n(Cc2cccc(C)c2)c(=O)c1C#N 408608947 XVOBUGCYGWWZGS-UHFFFAOYSA-N 282.343 2.532 30 40 CFEB C=CCN1C(=O)CCc2cc(SCCCN)ccc21 218804723 UGJPDURXIQZWKN-UHFFFAOYSA-N 276.405 2.593 30 40 CFEB COc1ccc(C)nc1NC(=O)c1ccc(C#N)cc1 96445663 DZWJOWPYJPDXSB-UHFFFAOYSA-N 267.288 2.523 30 40 CFEB C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 98214444 RJLKXMONMKZDGP-ZAZJYDDPSA-N 250.338 2.842 30 40 CFEB biogenic C=CC[C@H](CC)NC(=O)Nc1nc(COC)cs1 390835050 BSELGIAGKMKCBF-VIFPVBQESA-N 269.370 2.766 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(F)cc2C#N)c1 71882175 OTHYNAIXDCQAKA-CHWSQXEVSA-N 286.354 2.942 30 40 CFEB N#Cc1ccccc1NC(=O)c1ccc2c(c1)OCO2 587094 JEXADLPVHOPOAK-UHFFFAOYSA-N 266.256 2.539 30 40 CFEB O=[N+]([O-])C(/C=N/c1ccccc1O)/C=N/c1ccccc1O 102915172 XQLJEBHUJBBIFW-CZCYGEDCSA-N 299.286 2.848 30 40 CFEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc2c(c1)OCO2 4953836 VUKGDSKOYREWIK-LZYBPNLTSA-N 280.287 2.738 30 40 CFEB C=CC/N=C(\O)CN[C@H](c1ccccc1)c1ccccn1 25417959 KPIBUYPEOWROGV-QGZVFWFLSA-N 281.359 2.903 30 40 CFEB N#Cc1c(N)sc2c1CCN(c1nc3ccccc3o1)C2 44975018 SXXUEHCRGNZMHW-UHFFFAOYSA-N 296.355 2.906 30 40 CFEB Cc1nc(C#N)c(NC[C@H](c2ccccc2)N(C)C)o1 27990724 VEMDBAUXLIWRQS-CQSZACIVSA-N 270.336 2.570 30 40 CFEB C=C(C)CN1CCC(NC2Cc3ccccc3C2)CC1 95422055 RSVQDOGKGPJGLV-UHFFFAOYSA-N 270.420 2.784 30 40 CFEB N#Cc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 9217422 CBGAQTLASCFUTM-UHFFFAOYSA-N 296.286 2.517 30 40 CFEB C=C(Br)CN1CCC[C@@H](Cc2nccn2C)C1 90003726 JPYVAVHHYUQNHS-LBPRGKRZSA-N 298.228 2.583 30 40 CFEB CCc1nnc(S)n1/N=C/c1ccc(OC(F)F)cc1 8182980 LXTMAKCEHLBHMS-VIZOYTHASA-N 298.318 2.613 30 40 CFEB C[C@H](C#N)OC(=O)/C=C/c1ccc2ccccc2n1 9630734 WZFDBQMQTFJAEL-ANYFNZRUSA-N 252.273 2.703 30 40 CFEB CCCCCCC[C@H]1C[C@H](CSC(=N)N)OC1=O 8686375 ODNPRNWBYSQJGS-WDEREUQCSA-N 272.414 2.905 30 40 CFEB N/C(=N/CCc1coc(-c2ccccc2)n1)N1CCCCC1 72272558 RHPRAZFHONBKPY-UHFFFAOYSA-N 298.390 2.685 30 40 CFEB Cc1cccc(NC[C@@H]2CCN(c3ncccc3C#N)C2)n1 97200995 LHDWDYTVBDHFRY-AWEZNQCLSA-N 293.374 2.595 30 40 CFEB CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 211224247 JAXVBAKRKKWGHG-UHFFFAOYSA-N 280.148 2.912 30 40 CFEB CC[C@@H](C)Oc1ccccc1/C=C/C(O)=N/S(C)(=O)=O 78556438 IHFBMAFTUNNBQS-PBQZMEPESA-N 297.376 2.793 30 40 CFEB N#C[C@]1([C@@H](O)Cc2ccccc2)CCc2ccccc21 91884668 NTVXNNDJWLEYFI-ZWKOTPCHSA-N 263.340 2.998 30 40 CFEB C=CCO[C@@H]1CO[C@@]2(CCCN(Cc3ccoc3)C2)C1 96048191 AAEYIAGZNDFJHA-HOTGVXAUSA-N 277.364 2.606 30 40 CFEB COC(OC)[C@@](C)(C#N)OC(=O)Nc1ccc(Cl)cc1 255187753 GNSAVRLROWWTHZ-CYBMUJFWSA-N 298.726 2.790 30 40 CFEB N#Cc1ncn(-c2cc(Br)ccc2F)c1C#N 95915657 LCBFSJRJFVUSSR-UHFFFAOYSA-N 291.083 2.517 30 40 CFEB Cc1cccc(N(CCC#N)C(=O)CCn2cc(C)cn2)c1 69520567 HLAWZBGOVNMCDN-UHFFFAOYSA-N 296.374 2.837 30 40 CFEB Cc1c[nH]c2cccc(B3OC(C)(C)C(C)(C)O3)c12 218969753 RMXKZUOWRUJDOZ-UHFFFAOYSA-N 257.142 2.776 30 40 CFEB O=C1C=C/C(=N\c2ccc3c(c2)[C@@H](O)c2ccccc2-3)O1 17162347 IAGINSVVPKZABO-XMGGNUPJSA-N 277.279 2.892 30 40 CFEB C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(C#N)cc1 40497831 HXHPPZZZYCKEGL-LBPRGKRZSA-N 280.331 2.968 30 40 CFEB C[C@H]1CN([C@@H](C#N)c2cccc(Cl)c2)CCO1 41097136 KGXYJGMYSZEBFK-GWCFXTLKSA-N 250.729 2.625 30 40 CFEB C[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C#N)C1 188222 JUXZVNMPMFIMFP-QMMMGPOBSA-N 292.360 2.548 30 40 CFEB C=C(C)CNC(=O)Oc1cccc(NC(=O)OC)c1 1756484 QQIYVQCLVCPANP-UHFFFAOYSA-N 264.281 2.529 30 40 CFEB C=CCSc1nnc2c3ccccc3n(C)c2n1 2025110 SORRWNRUAIHAAK-UHFFFAOYSA-N 256.334 2.795 30 40 CFEB N#Cc1cc2c(nc1NC[C@H](O)c1ccco1)CCCC2 95980550 OADZJGZLGHEMCU-AWEZNQCLSA-N 283.331 2.571 30 40 CFEB COc1ccc(-n2ncc(C#N)c2-n2cccc2)cc1 12396901 LWFYYENYUJQUFS-UHFFFAOYSA-N 264.288 2.543 30 40 CFEB Cc1cccc(NC(=O)COC(=O)c2ccc(C#N)cc2)c1 3474510 OUBYDFIVSHQPAT-UHFFFAOYSA-N 294.310 2.662 30 40 CFEB C[C@H]1CCC[C@H](NC(=O)CNc2ccc(C#N)cc2)C1 49137511 ZIXUFIJSDRTGQA-WFASDCNBSA-N 271.364 2.665 30 40 CFEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc[nH]1 4548040 OJJMJFBXRZKXPR-SFQUDFHCSA-N 255.321 2.602 30 40 CFEB N#C[C@H](NC(=O)c1ccc(F)nc1)c1ccccc1Cl 81400155 MEOFLPARZDHNBT-LBPRGKRZSA-N 289.697 2.869 30 40 CFEB N#Cc1ccccc1Cn1nc(-c2ccccc2)ccc1=O 48362816 RYKSDUKBEAWWPZ-UHFFFAOYSA-N 287.322 2.830 30 40 CFEB C=CCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084867 IFFUPEVMIGWOQO-ZROIWOOFSA-N 271.103 2.704 30 40 CFEB N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCCCC1 256047922 PJIVCEJAUCGJJC-UHFFFAOYSA-N 287.754 2.783 30 40 CFEB CC(C)[C@H](O)C#Cc1ccccc1OC(F)(F)F 95633944 DBPKUHUPOSWZTE-LLVKDONJSA-N 258.239 2.954 30 40 CFEB C=CCCN1CCc2c([nH]c3ccccc23)[C@@H]1C(=O)O 5600962 WCYRVEUBPWKGDX-OAHLLOKOSA-N 270.332 2.728 30 40 CFEB CCCC/C(CC)=N\NS(=O)(=O)c1ccc(N)cc1 4367051 MGRFYIPILKXKDU-QINSGFPZSA-N 283.397 2.503 30 40 CFEB CCOC(=O)[C@H](C)Sc1nc(C)cc(C)c1C#N 49856 MVSKBTBROHFVJD-JTQLQIEISA-N 264.350 2.614 30 40 CFEB N#CCn1nc(-c2ccc3ccccc3c2)ccc1=O 5399103 NBMAABJNAFKRII-UHFFFAOYSA-N 261.284 2.587 30 40 CFEB CCOc1cc2c(cc1OCC)[C@@H](CC#N)NCC2 19418805 SMZBYPCVZWQVMG-CYBMUJFWSA-N 260.337 2.584 30 40 CFEB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCCC#N 21713559 YXNYXBCPVXCRHJ-UHFFFAOYSA-N 283.331 2.950 30 40 CFEB C[C@H]1CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]2CC1 4104810 IPZPPUJQQJARAE-GGZSWOCBSA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro C[C@@H]1CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]2CC1 105413319 IPZPPUJQQJARAE-QUMMREBQSA-N 252.354 2.922 30 40 CFEB biogenic,in-vitro Cc1cc2nc(/N=C\c3nc(C)c(O)[nH]3)[nH]c2cc1C 104239264 ACWODJICLQEZBE-UUASQNMZSA-N 269.308 2.667 30 40 CFEB N#Cc1ccccc1NC(=O)CNc1cc(F)cc(F)c1 9479247 LPTLCNQIBFVGML-UHFFFAOYSA-N 287.269 2.887 30 40 CFEB Cc1ccc(C)c(N/C(N)=N\CCCn2cc(C)cn2)c1 72272547 AXRCCNZKYMBFEB-UHFFFAOYSA-N 285.395 2.625 30 40 CFEB N#Cc1ccc(Cn2ccnc2[C@H](O)c2ccccc2)cc1 95941618 ZFNCRCFVKGAMDD-QGZVFWFLSA-N 289.338 2.885 30 40 CFEB COc1ccc(C#N)cc1NC(=O)N1CCCCCC1 50107648 NFWNQSTYYBOOEA-UHFFFAOYSA-N 273.336 2.975 30 40 CFEB C=CCC[C@H](O)CN1CCC(OC(C)(C)C)CC1 96473775 OJHOJXWYFHYFNV-ZDUSSCGKSA-N 255.402 2.593 30 40 CFEB C=CCNC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 38671360 SAHLDUYWMDQFAV-UHFFFAOYSA-N 279.365 2.606 30 40 CFEB N#Cc1ccc(COc2cccc(-n3cncn3)c2)c(F)c1 76091493 WIZKBTBNNFXMTP-UHFFFAOYSA-N 294.289 2.857 30 40 CFEB CCc1[nH]nc2c1/C(=N\O)C[C@H](c1ccccc1)C2 13286265 ISILGQRKZHKECV-GMVXBXSFSA-N 255.321 2.880 30 40 CFEB CSc1nc(O)c(C#N)c2csc(NC(C)=O)c12 16321133 YUHKDWVUNCJEBF-UHFFFAOYSA-N 279.346 2.554 30 40 CFEB C[C@](C#N)(NC(=O)COc1ccc(F)cc1Cl)C1CC1 21458142 QCVWWIBAWMSZMI-CQSZACIVSA-N 296.729 2.666 30 40 CFEB C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCCCC1 8489581 HAWDVFIQCNQUCH-GFCCVEGCSA-N 272.348 2.774 30 40 CFEB CCOc1ccc(C(=O)N[C@@H](C)CC#N)cc1OCC 50336515 FVZOHFQMVNZPOB-NSHDSACASA-N 276.336 2.516 30 40 CFEB C=CCNC(=O)Oc1cccc(NC(=O)OCC=C)c1 1756429 YHNBUPPKZDZKJW-UHFFFAOYSA-N 276.292 2.696 30 40 CFEB COc1ccc(Nc2cc(C#N)c(C#N)cc2N)cc1 1432820 FKGDXFJEIHYFEH-UHFFFAOYSA-N 264.288 2.764 30 40 CFEB Cc1oc(-c2ccccc2)nc1CC(=O)N(CC#N)C1CC1 58294586 NVBOUTWQLKZARE-UHFFFAOYSA-N 295.342 2.707 30 40 CFEB CCN1CCOC1=C1C(=O)CC(c2cccc(C)c2)CC1=O 20800877 IUDGCUBDEPADQT-UHFFFAOYSA-N 299.370 2.574 30 40 CFEB C/C(=C\C(=O)C(F)(F)F)NCc1ccc(F)cc1 6585814 VJMRMBXWHSECON-SOFGYWHQSA-N 261.218 2.951 30 40 CFEB N#Cc1c(Cn2c(=O)oc3ccccc32)cn2ccccc12 66610022 GQTFYYRIFVSISJ-UHFFFAOYSA-N 289.294 2.767 30 40 CFEB O=S1(=O)CC[C@H](/N=C/c2ccc(Cl)cc2Cl)C1 16742216 URWDTELWVWYWNI-XPWNQWCVSA-N 292.187 2.599 30 40 CFEB N#CCN1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69419042 UALKFPPCSGABGH-IRXDYDNUSA-N 269.392 2.639 30 40 CFEB COc1ccc([C@@H](C/N=C(/C)N)N2CCCCC2)cc1 69950931 TZHIGKWIXVOMHP-MRXNPFEDSA-N 275.396 2.599 30 40 CFEB C=CCSCCNC(=O)c1c[nH]c2cc(F)ccc12 97060098 QHVQRDWMACDEIT-UHFFFAOYSA-N 278.352 2.956 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@@H]1C1CC1 89794159 PNHMEXVQIUCVCF-CMPLNLGQSA-N 297.280 2.951 30 40 CFEB CCO[C@@H](C)c1noc(COc2cccc(F)c2C#N)n1 89985000 VMKBBQUYRFCSSV-VIFPVBQESA-N 291.282 2.757 30 40 CFEB O=C(NO)c1cccc(-c2cc3ccccc3oc2=O)c1 226290964 PKDQXKKDLSVZRS-UHFFFAOYSA-N 281.267 2.579 30 40 CFEB COC(=O)c1sc(N=C(O)CCCCC(=N)O)nc1C 330032272 KPPIZNKVKGGTQS-UHFFFAOYSA-N 299.352 2.922 30 40 CFEB C[C@@H]1C[C@H](c2ccsc2)CN1S(=O)(=O)CCCC#N 96421285 OAGVLMDLGJAOPT-YPMHNXCESA-N 298.433 2.559 30 40 CFEB Cc1ccnc(NC[C@H]2CCN(c3ccc(C#N)cn3)C2)c1 97200980 IJOQOMHZNPCIPH-OAHLLOKOSA-N 293.374 2.595 30 40 CFEB COC(=O)c1ccc(-c2c(C)c(C)nc(N)c2C#N)cc1 19874908 AAMOWAPVOCQTFU-UHFFFAOYSA-N 281.315 2.606 30 40 CFEB N#Cc1ccc(/C=C/C(=O)c2ccccc(=O)c2O)cc1 19909629 VUUVWWVQCHONDS-MDZDMXLPSA-N 277.279 2.520 30 40 CFEB C=C1CCC(NC(=O)c2ccc(OCCOC)cc2)CC1 1565519936 WRMRPNJQTLLBOW-UHFFFAOYSA-N 289.375 2.940 30 40 CFEB Cc1c(C(=O)Nc2c(C#N)cnn2C)oc2ccccc12 40489224 ARFCDRPFAVDWHU-UHFFFAOYSA-N 280.287 2.599 30 40 CFEB CCCCCCC[C@]1(C)NC(=O)N(Cc2cnoc2)C1=O 102994409 QQMMQZABXFFJCJ-HNNXBMFYSA-N 293.367 2.846 30 40 CFEB O=C(c1ccccc1)[C@H]1O[C@@H]1C(=O)c1ccccc1 1671545 ADFLDJCSCJHDEY-HZPDHXFCSA-N 252.269 2.520 30 40 CFEB Cn1nccc1/C=C/C(=O)c1cnn(-c2ccccc2)c1 58250414 ZUSMRDIQRMETHV-BQYQJAHWSA-N 278.315 2.502 30 40 CFEB COc1ccccc1/C=N/Nc1ccccc1C(=O)O 11770000 QPAJRQJJRWOQQS-MHWRWJLKSA-N 270.288 2.839 30 40 CFEB Cc1ccc(F)cc1C(=O)N(C)c1ncccc1C#N 97085592 VADLCORODSILHY-UHFFFAOYSA-N 269.279 2.677 30 40 CFEB C=CCn1nnc(NCc2cccc3ccccc23)n1 15356954 GINGVZABXUDVEH-UHFFFAOYSA-N 265.320 2.624 30 40 CFEB COc1cc2c(cc1OC)CN(c1ccc(C#N)cn1)CC2 15525424 KNWCVONNQMLADG-UHFFFAOYSA-N 295.342 2.533 30 40 CFEB C/C(=N\NC(=S)NC1CCCC1)c1cccs1 8523902 BAEBYXFKODQSNO-NTEUORMPSA-N 267.423 2.879 30 40 CFEB CCc1nc(C#N)c(NC[C@H](c2ccsc2)N(C)C)o1 72427639 GXXYHQBLVPJNJS-GFCCVEGCSA-N 290.392 2.885 30 40 CFEB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C1(C#N)CCC1 95411844 ANBOWWZYDKQFBZ-OAHLLOKOSA-N 297.402 2.937 30 40 CFEB N#Cc1cc2c(nc1NC[C@@H](O)c1ccco1)CCCC2 95980549 OADZJGZLGHEMCU-CQSZACIVSA-N 283.331 2.571 30 40 CFEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)O)CC1 72221259 PRJHTROEKAALHM-UHFFFAOYSA-N 299.305 2.547 30 40 CFEB N#Cc1cc2c(nc1NC(=O)c1ccncc1F)CCCC2 121943089 NPKGVTVLPXCLSG-UHFFFAOYSA-N 296.305 2.618 30 40 CFEB O=C1Nc2ccccc2/C1=C/C(=O)c1ccsc1 32646566 LBHJGNFHLBAWTP-XFFZJAGNSA-N 255.298 2.967 30 40 CFEB CO[C@@H](CNc1nccnc1C#N)c1ccc(Cl)cc1 78381587 LTRMEGXBUYDWLU-ZDUSSCGKSA-N 288.738 2.801 30 40 CFEB C=CCCn1cnc2c(F)cc(Br)cc2c1=O 84638115 LLYYBGGENDQQQZ-UHFFFAOYSA-N 297.127 2.874 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)[C@H]2CC2(C)C)c(C)o1 97231254 TYFUQJDOYLGVEC-SECBINFHSA-N 271.338 2.588 30 40 CFEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccncc1 32639103 SDXNMRIGMILBEH-ZZXKWVIFSA-N 254.245 2.886 30 40 CFEB Cc1ccc(/C=[N+](\[O-])[C@@H]2N(C)C(=S)SC2(C)C)cc1 2254848 AXVDITCJMNHFTL-PFSWGADMSA-N 294.445 2.992 30 40 CFEB Cc1cccc(OCc2nnc(SCC#N)o2)c1 5294445 HQOPMVHSHPRUNX-UHFFFAOYSA-N 261.306 2.573 30 40 CFEB COc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c(O)c1 32460999 PMNXJHUPODIOHQ-UHFFFAOYSA-N 296.326 2.545 30 40 CFEB C[C@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CCO1 41097142 XGKIAHVQTMOSNC-GWCFXTLKSA-N 250.729 2.625 30 40 CFEB COc1ccc([C@@H]2CCCC[C@@H]2OS(C)(=O)=O)cc1 1706499 QQGMFHHIXCQTFJ-KBPBESRZSA-N 284.377 2.698 30 40 CFEB C[C@H](C#N)CN(C)C(=O)/C=C/c1ccccc1OC(F)F 58342129 BJCLOACISPERKU-WSKFYRRCSA-N 294.301 2.919 30 40 CFEB CC(=N/O)/C(=N/O)c1ccc(NC(=O)c2ccccc2)cc1 104095717 ZJFVXYOXWTVGOC-PCCVJEDISA-N 297.314 2.967 30 40 CFEB CC(C)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 12633048 HRJKVACDEGLFFU-UHFFFAOYSA-N 288.351 2.751 30 40 CFEB C[C@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl 63092634 FIAVVWRRHHSQSA-SSDOTTSWSA-N 272.135 2.763 30 40 CFEB N#CC1(NC(=O)CC2=CCCCC2)CCSCC1 95440075 CLCPSGGUDOFOSQ-UHFFFAOYSA-N 264.394 2.782 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 4695924 AFVTVKQOMCEMMZ-YFHOEESVSA-N 263.343 2.726 30 40 CFEB CC(C)OCCC(=O)N[C@](C)(C#N)C1CCCCC1 71908443 IDSMATLPTZAPOP-OAHLLOKOSA-N 266.385 2.780 30 40 CFEB Clc1cccc(Cl)c1/C=N/CCN1CCOCC1 28114217 MJWYZLZSTZHFFX-MHWRWJLKSA-N 287.190 2.745 30 40 CFEB CC1(C)CC(=O)/C(=N/Nc2ccc(Cl)cc2)CO1 18165193 WSVFEOHQXPNLFW-LFIBNONCSA-N 266.728 2.876 30 40 CFEB C/C(=N/N1CCCCC1)c1ccc2c(c1)CCC(=O)N2 95949802 BUJPEDGMXSURAY-PDGQHHTCSA-N 271.364 2.781 30 40 CFEB N#Cc1ccc(O)c(-c2ccc(CN3CCOCC3)cc2)c1 521398613 UHTKEGVMJUZLKW-UHFFFAOYSA-N 294.354 2.763 30 40 CFEB CN(C)c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 408909190 FMGXXJIRFYWXAD-OVCLIPMQSA-N 258.277 2.825 30 40 CFEB CCCC[C@H](CC)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 96409655 OPAZHDFNKKFOIU-JTQLQIEISA-N 273.340 2.698 30 40 CFEB C[C@H](C#N)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 97372024 QMKDAFXYLNIRJY-VXGBXAGGSA-N 279.334 2.555 30 40 CFEB C=CCCN1CCC[C@H](COc2cc(C#N)ccn2)C1 1776001197 DPKKWPWIINGOES-HNNXBMFYSA-N 271.364 2.620 30 40 CFEB CN(C)C[C@@H]1CCCC/C1=N\OC(=O)c1ccccc1 5888019 GWLJOTFLCRATTR-AQTLKONXSA-N 274.364 2.951 30 40 CFEB N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Cl 3052895 CESGDRJNUKAYHA-UHFFFAOYSA-N 299.639 2.776 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)C1=O 7986407 GLDQAVMCVBXSND-ZTKNLZMBSA-N 289.379 2.685 30 40 CFEB N#CCCN(CCC#N)C(=O)c1cc(-c2ccccc2)on1 58282614 VZWMGKUJCPXKME-UHFFFAOYSA-N 294.314 2.611 30 40 CFEB COc1cc(C#N)ccc1OCc1cnc(C)s1 58396440 WISCDHXNUKXWHS-UHFFFAOYSA-N 260.318 2.911 30 40 CFEB N#Cc1ccc(OCC(=O)N(Cc2ccco2)C2CC2)cc1 29010192 GYSNUMQQIOUOJV-UHFFFAOYSA-N 296.326 2.721 30 40 CFEB Cc1c(C(=O)N(CC#N)CC#N)sc2ccccc12 60332500 QJCZRGXOKRIFIK-UHFFFAOYSA-N 269.329 2.699 30 40 CFEB CC[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1 46805015 LKKMHOKSVVCFCR-LLVKDONJSA-N 262.378 2.706 30 40 CFEB C/C(=C/C(=O)ONC(=O)c1ccccc1)Nc1ccccc1 5018261 CKAQBCJYEAFZFW-SEYXRHQNSA-N 296.326 2.891 30 40 CFEB Cc1ccc2[nH]ccc2c1B1OC(C)(C)C(C)(C)O1 218968163 YWRMIXQQHTZMDC-UHFFFAOYSA-N 257.142 2.776 30 40 CFEB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccc2c(c1)CCO2 95096066 XSAUZBCJORFOSV-CMPLNLGQSA-N 274.238 2.640 30 40 CFEB C[C@H](C#N)N1CCC(CCN2CCCC[C@H]2C)CC1 248460466 OJGVELPMILJLAX-HUUCEWRRSA-N 263.429 2.875 30 40 CFEB C[C@H]1[C@H]2O[C@H]2C[C@@H](C)N1C(=O)OCc1ccccc1 252493100 MZHAAAUPACQECJ-UVLXDEKHSA-N 261.321 2.573 30 40 CFEB Cc1ccc(C[C@H](C#N)Sc2nc3ncccn3n2)cc1 29918894 GUVFSDVQSXOKCI-CYBMUJFWSA-N 295.371 2.660 30 40 CFEB Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1F 220582450 MVVDUZVMPNPTCP-UHFFFAOYSA-N 250.122 2.742 30 40 CFEB CC[C@H]1S/C(=N\c2ccc(C(C)=O)cc2)NC1=O 6870748 HPXBGAXHFCAXOF-LLVKDONJSA-N 262.334 2.518 30 40 CFEB CSc1c(C#N)c(=O)oc2c1c(C)nn2-c1ccccc1 5724616 ILCXHTZSOOBLEG-UHFFFAOYSA-N 297.339 2.881 30 40 CFEB CN(Cc1ccccc1)C(=O)CNc1cccc(C#N)c1 3321736 WVLJHODFJQJWGO-UHFFFAOYSA-N 279.343 2.629 30 40 CFEB N#Cc1ccccc1OCC(=O)Nc1ccccc1F 3445536 VKTCTYIAXBCFIB-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CS(=O)(=O)/N=C(\O)CCCc1nc2ccccc2s1 42278667 HWBLMALRAZPLOR-UHFFFAOYSA-N 298.389 2.535 30 40 CFEB CC(C)c1nnc(CO/N=C(/N)c2cccc(Cl)c2)o1 79110495 VSSXDMXJAZSASR-UHFFFAOYSA-N 294.742 2.684 30 40 CFEB N#CCC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 27028364 MRTOPILAOAYQAF-UHFFFAOYSA-N 272.759 2.956 30 40 CFEB C=CC/N=C(/NCC[C@H]1CCCO1)NCc1cccs1 95350549 KPPSZIJNRNTYIT-CYBMUJFWSA-N 293.436 2.538 30 40 CFEB O=C(O)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 4653461 FRDPRSVGUKUCQI-CXUHLZMHSA-N 280.287 2.707 30 40 CFEB N#CCOC(=O)c1ccccc1C(=O)c1cccs1 7813997 RFEWCNINGRMXNE-UHFFFAOYSA-N 271.297 2.659 30 40 CFEB C=C[C@@H]1C[C@H](C)C[C@H](C)[C@@H]1c1c(O)ccn(O)c1=O 85814290 OQJADHLOEAOIGC-XZUYRWCXSA-N 263.337 2.743 30 40 CFEB C#CCN(C(=O)c1cn2ccccc2n1)C1CCCCC1 65777646 QSDHNVSHGCBLCW-UHFFFAOYSA-N 281.359 2.742 30 40 CFEB COC[C@H](C)Oc1c(N)cc(C#N)n1Cc1cccc(C)c1 225877419 UTDHRQWKXUKVSC-ZDUSSCGKSA-N 299.374 2.712 30 40 CFEB C#CCCCCC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1 97100912 UCMOHLHRVCQOHJ-UHFFFAOYSA-N 293.388 2.531 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1cccc(C)n1)C2 96214696 YUTWPBGKEPZTTB-GOSISDBHSA-N 299.418 2.647 30 40 CFEB Cc1ccc(/C=N/c2nc(C(F)(F)F)n[nH]2)cc1 4292539 RFOISNGUGBOQKV-GIDUJCDVSA-N 254.215 2.883 30 40 CFEB N#CCC[C@H](NC(=O)Nc1ncco1)c1ccccc1 159787726 OYXSZPXHKGFOQM-LBPRGKRZSA-N 270.292 2.841 30 40 CFEB C=C1[C@@H](OC(C)=O)C[C@H]2C(=C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 253388710 GKMFOEIZCLMZDE-LYYZXLFJSA-N 288.343 2.558 30 40 CFEB biogenic,in-vitro Cc1sc2ncn(/N=C/c3ccccc3)c(=O)c2c1C 350931 KESPCAPAAYVEDW-CAOOACKPSA-N 283.356 2.957 30 40 CFEB CC(C)c1cc(CNC(=O)c2ccc(C#N)cc2)on1 78725743 YOXXHMHJXYVQCP-UHFFFAOYSA-N 269.304 2.600 30 40 CFEB CC(C)(C)c1ccc(C(=O)C[n+]2ccncc2)cc1 1668842 OEYOHJJBGQVQSU-UHFFFAOYSA-N 255.341 2.550 30 40 CFEB N#Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2O)cc1 1401802 NHTYPVKPJGJBHA-UHFFFAOYSA-N 297.701 2.826 30 40 CFEB N#Cc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 58263959 BKZLKNGYMSFZRF-QGZVFWFLSA-N 291.354 2.885 30 40 CFEB CCc1nc(C#N)c(N/N=C/c2sccc2C)o1 28467700 DOPSTMFNWWFOFM-VGOFMYFVSA-N 260.322 2.925 30 40 CFEB N#CCCn1cc(/C=C/C(=O)O)c(-c2ccc(F)cc2)n1 3355957 FRAWTRBOHBKISQ-QPJJXVBHSA-N 285.278 2.701 30 40 CFEB COc1ccc(NC(=O)c2cccc(C#N)c2)cc1OC 3395234 XEOZERKPHDJMAA-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB CCCCCCCOc1ccccc1/C=N/NC(=N)N 408769554 NVMROLJDXSHYBT-LDADJPATSA-N 276.384 2.853 30 40 CFEB N#Cc1cnc2cc3c(cc2c1Cl)OCCCO3 19518480 WCDCYTKFFZLNKZ-UHFFFAOYSA-N 260.680 2.921 30 40 CFEB C=CCNC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 28230737 YTUQNZRSLSRNGY-UHFFFAOYSA-N 299.326 2.977 30 40 CFEB c1cc2nncn2nc1NN=C1CCCCCCC1 5997921 OTFGPNAZIQKEQR-UHFFFAOYSA-N 258.329 2.637 30 40 CFEB Cc1sc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)c1C 18145799 YNJUGKHCEOIJOA-LYIQGSDWSA-N 298.367 2.548 30 40 CFEB O=C1/C(=C/c2ccccc2F)CCc2[nH]c(=O)ccc21 98052990 XEFDMPLSVQEIIZ-PKNBQFBNSA-N 269.275 2.727 30 40 CFEB Cc1cccc(Cc2nn(C(C)(C)C)c(N)c2C#N)c1 22048118 QMVSXFKVXNGFAZ-UHFFFAOYSA-N 268.364 2.991 30 40 CFEB in-vitro N#Cc1cccc(C(=O)C(F)(F)Br)c1 306275942 DFMZAVFQSLVFKU-UHFFFAOYSA-N 260.037 2.729 30 40 CFEB CC(C)n1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 217999083 LOBHZFIZYBRDGW-UHFFFAOYSA-N 286.184 2.916 30 40 CFEB C=CCNC(=O)c1cc(OCC=C)c2ccoc2c1 72240270 ZTWRVJMAWJIIOX-UHFFFAOYSA-N 257.289 2.913 30 40 CFEB CCSc1nc(N)c(C#N)c(Cc2ccccc2)n1 223663589 ZWMWPNHEXSWCRB-UHFFFAOYSA-N 270.361 2.633 30 40 CFEB N#Cc1ccccc1Cn1ccc2occc2c1=O 89814046 FGBJUPNPFBTIJQ-UHFFFAOYSA-N 250.257 2.514 30 40 CFEB CCCc1nc(N)nc(Cc2ccccc2F)c1C#N 223699023 LUGBCXIBVWXEAT-UHFFFAOYSA-N 270.311 2.613 30 40 CFEB C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 96110741 ACEMWUUAXTVZNP-HZPDHXFCSA-N 288.366 2.577 30 40 CFEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCc2ccccc2C1 16524799 SDLVVHFSNYGCQD-APBXHAHBSA-N 256.349 2.673 30 40 CFEB COc1ccccc1C(=O)[C@@H](C#N)c1ccccn1 1275598 JROHUFAPKMBTSY-LBPRGKRZSA-N 252.273 2.580 30 40 CFEB Cc1c(NCc2cc(C#N)ccc2F)cccc1C(N)=O 79016540 DPSNSOKEHZXVEA-UHFFFAOYSA-N 283.306 2.717 30 40 CFEB CC(C)[C@H]1CC[C@H](C)[C@H](C(C#N)(C#N)C(C#N)C#N)C1=O 102676011 RXUGENCIFOVTBC-YUTCNCBUSA-N 282.347 2.571 30 40 CFEB O=C1/C(=C/c2cccnc2)COc2c(F)cccc21 58250246 KVAYUJCIHGNAJC-YRNVUSSQSA-N 255.248 2.879 30 40 CFEB N#C[C@@H](C(=O)CC(C1CC1)C1CC1)C(=O)NC1CCCC1 58278055 VLDLNLSPXCEAFS-HNNXBMFYSA-N 288.391 2.580 30 40 CFEB C=C(C)COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 28081898 DKUFMKQHVSCLIU-VIFPVBQESA-N 277.345 2.852 30 40 CFEB C=CCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1 36393139 MLBBEMLKHADKBK-UHFFFAOYSA-N 271.320 2.546 30 40 CFEB CC(C)(C)OC(=O)N[C@H]1C=CCCCC[C@@H]1C=O 72481754 YSAIDHRQPYWOIY-NEPJUHHUSA-N 253.342 2.825 30 40 CFEB CCOc1ccc(/C=C/C(=O)c2c(C)nc(C)[nH]c2=O)cc1 13005918 DKWVTFSAIWAGAV-JXMROGBWSA-N 298.342 2.682 30 40 CFEB N#CCc1c(Br)cc(F)cc1[N+](=O)[O-] 43220640 UVEGHALODGFVGT-UHFFFAOYSA-N 259.034 2.562 30 40 CFEB in-vitro O=[N+]([O-])c1ccc(/C=N/Nc2nncc3ccccc23)o1 5119683 NHCUAKZFALGTJF-OVCLIPMQSA-N 283.247 2.577 30 40 CFEB N#Cc1cccc(C(=O)NCCc2ccc(F)cc2)c1 6305263 IFAVZUCAUOTLBJ-UHFFFAOYSA-N 268.291 2.670 30 40 CFEB CCc1ccc2sc3nc(=O)c(C#N)c(C)n3c2c1 6585393 UDOKOVQTXGYMLU-UHFFFAOYSA-N 269.329 2.652 30 40 CFEB CC(=O)c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1 6651334 GOROOQQEBKRBJZ-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB N#Cc1nc(-c2cccc3ccccc23)oc1NN 16769922 RAAYXYSHZBRTLW-UHFFFAOYSA-N 250.261 2.652 30 40 CFEB N#Cc1ccc(NC2CCN(CC(F)F)CC2)c(F)c1 69485738 ULGOIBSCYKICNL-UHFFFAOYSA-N 283.297 2.839 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCc2cc(C#N)ccc2F)c1 69538582 BDQHPDAZHYIIKI-QWHCGFSZSA-N 286.354 2.942 30 40 CFEB CCN(CCC#N)S(=O)(=O)/C=C/c1ccccc1Cl 71185149 UGFGGXWMWDCFDN-DHZHZOJOSA-N 298.795 2.876 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C\c1ccccc1F 34849081 PUBVAQLWKSGNCP-NVNXTCNLSA-N 260.228 2.575 30 40 CFEB CCOc1c(I)cc(F)cc1C#N 225285787 QRXYYPXKKLQMHX-UHFFFAOYSA-N 291.063 2.701 30 40 CFEB C=CCN(C)Cc1ccc(OC(F)F)c(OC)c1 48342183 KZFGOGFIUDEEMH-UHFFFAOYSA-N 257.280 2.914 30 40 CFEB COc1ccc(/C=N/c2ccccn2)c(C(=O)O)c1OC 97972122 LOZXIECRVRTSMQ-RQZCQDPDSA-N 286.287 2.548 30 40 CFEB C[C@H]1C/C(=N/Oc2ccccc2[N+](=O)[O-])[C@H](C)CN1C 271075 UQBBTDSGUQJIBT-FXWNEQAGSA-N 277.324 2.690 30 40 CFEB CN1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1 12416637 QQHADRRKKGASTC-QRBCZBMESA-N 269.300 2.854 30 40 CFEB COCC/N=C(\S)Nc1cc(Cl)ccc1C 6330346 YRSHNDRYFZJSAT-UHFFFAOYSA-N 258.774 2.993 30 40 CFEB C/N=C(/N)SCc1csc(-c2ccc(C)o2)n1 30516019 OFNSJXKIOOXGGM-UHFFFAOYSA-N 267.379 2.889 30 40 CFEB CC[C@](C)(C#N)NC(=O)COc1ccc(Cl)cc1 40357765 DHMXBGJWSTUFOP-CYBMUJFWSA-N 266.728 2.527 30 40 CFEB C=C(C)CN1CCC(NC(=O)c2ccc(C)s2)CC1 51098686 YHXPAECARNBMAJ-UHFFFAOYSA-N 278.421 2.827 30 40 CFEB Cc1c(CCC#N)c(O)n2c(nc3ccccc32)c1C#N 2684041 UYSMPUVLCHNWSC-UHFFFAOYSA-N 276.299 2.829 30 40 CFEB O=C1C2=C(c3ccccc31)[C@H](c1ccccc1)NC(=S)N2 8653508 TXHPOZJDVVNWEG-AWEZNQCLSA-N 292.363 2.813 30 40 CFEB CO/N=C(\C)c1cnc2sc(C(=O)OC)c(C)c2c1 46414947 CIJGQRMLGUQSBH-OVCLIPMQSA-N 278.333 2.762 30 40 CFEB CC(=O)C[n+]1c2n(c3c(F)c(F)ccc31)CCCCC2 3207999 HTOKIEVYWHLQKO-UHFFFAOYSA-N 279.310 2.522 30 40 CFEB N#CCOc1nc(-c2ccco2)c2c(c1C#N)CCC2 12324840 SEFOWCOMYNOKNM-UHFFFAOYSA-N 265.272 2.604 30 40 CFEB C/C(=N\OC(=O)c1ccc(F)cc1)c1nccs1 6261798 PMORCTNLMCISSW-OVCLIPMQSA-N 264.281 2.863 30 40 CFEB O=C(O)c1ccc(N/N=C/c2cccc(O)c2)cc1 5552611 UEXQWIOWOQRKES-OQLLNIDSSA-N 256.261 2.536 30 40 CFEB N#Cc1cccc(C(=O)OCc2ccccc2C#N)c1 7005931 KUSPLAHJHYOHGG-UHFFFAOYSA-N 262.268 2.787 30 40 CFEB CCCCCCN1CCN([C@H](C#N)C(C)C)CC1 71920935 DRKLZNFZGRVSNN-OAHLLOKOSA-N 251.418 2.732 30 40 CFEB Cc1n[nH]cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 69843975 NQFCVUJIZUXVOW-UHFFFAOYSA-N 295.302 2.534 30 40 CFEB COc1ccc(CCCC(=O)NC(C)(C)C#N)cc1F 84600669 DVBFNIQYXAXZQN-UHFFFAOYSA-N 278.327 2.575 30 40 CFEB C=CCNc1ncc(-c2cc(C)no2)c([C@H]2CCCO2)n1 72398165 GCBBGHQRTKJOGR-GFCCVEGCSA-N 286.335 2.889 30 40 CFEB N#Cc1nc(-c2cccnc2)oc1NC1CCCC1 35672279 MJRSUWGGQMRISW-UHFFFAOYSA-N 254.293 2.963 30 40 CFEB C=CCOC(=O)c1cc(-n2cccc2)ccc1N(C)C 226279211 JYZVVOAZNNSTQM-UHFFFAOYSA-N 270.332 2.886 30 40 CFEB C=C(Br)CSc1nnc2nc(C)cc(C)n12 5235723 BCLSUGKUYVVQKU-UHFFFAOYSA-N 299.197 2.742 30 40 CFEB Cc1ccc(/C=C\C(=O)C(CN(C)C)CN(C)C)cc1C 17140406 XSDGPKZRENOEDZ-KTKRTIGZSA-N 288.435 2.625 30 40 CFEB O=C1Nc2ccccc2/C1=N/N=C/c1cc2ccccc2[nH]1 226757041 NLUQGYNUAWGWEL-VCHYOVAHSA-N 288.310 2.943 30 40 CFEB C#CCN1CCC(C(=O)Nc2cnc3ccccc3c2)CC1 50028316 VDPWFAHYSJLNOF-UHFFFAOYSA-N 293.370 2.519 30 40 CFEB Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)s1 116472 RGMUKOOFFHQVAR-LZYBPNLTSA-N 271.345 2.589 30 40 CFEB C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c2ccccc21 382338 FWXSOGOVTXJJIJ-ZDUSSCGKSA-N 281.359 2.914 30 40 CFEB CN(Cc1ccc(F)cc1F)c1ncccc1C#N 24207551 YTQQWLIITASMQJ-UHFFFAOYSA-N 259.259 2.868 30 40 CFEB S=C(N/N=C1/C[C@@H]2CC=C[C@H]12)NC1CCCCC1 34903926 UFVKCCIMTCMUOY-ANWMDLNMSA-N 263.410 2.735 30 40 CFEB COc1ccc(C(=O)C[N+]2=C(C)c3ccc(C)n3CC2)cc1 1745718 DSVGQGSOXNGITO-UHFFFAOYSA-N 297.378 2.523 30 40 CFEB CN(C(=O)c1cccc(C#N)c1)c1nc2ccccc2o1 57535994 JKXMXLBURHWWID-UHFFFAOYSA-N 277.283 2.976 30 40 CFEB COc1cccc(Nc2nnc(SCC#N)s2)c1 3439570 OYOYUUARETVTLB-UHFFFAOYSA-N 278.362 2.906 30 40 CFEB COC(=O)c1ccc(OCc2ccccc2C#N)c(OC)c1 3579058 XZXVGVOZBAMLQC-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB N#C[C@@H](C(=O)COc1ccccc1)c1nc2ccccc2[nH]1 4864052 WCABLBGOQIPNGG-ZDUSSCGKSA-N 291.310 2.818 30 40 CFEB Cc1nn(C)cc1/C=C/C(=O)c1cc2ccccc2oc1=O 71784812 WMJOWFYUQJYKTH-BQYQJAHWSA-N 294.310 2.731 30 40 CFEB Fc1nc(F)c(F)c(-n2ccc(C(F)(F)F)n2)c1F 15203301 BDFSUVVFSXZSEQ-UHFFFAOYSA-N 285.122 2.843 30 40 CFEB Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@H](C)C#N)c1C 7283542 YEEFQBGAQOVZCY-SSDOTTSWSA-N 292.360 2.782 30 40 CFEB C=CCN(CCc1ccco1)CC(=O)N1CCC(C)CC1 95466193 GSRPBPXNGGCMSQ-UHFFFAOYSA-N 290.407 2.569 30 40 CFEB COc1ccc(O)c(/C=N/N2C(=O)C[C@@H]2c2ccccc2)c1 71279105 VXSQUZITWUSOEV-CLXYIWAZSA-N 296.326 2.708 30 40 CFEB CCCCCn1c(C#N)cc(N)c1O[C@@H](C)COC 225877068 YNAGCOMGSUJQPU-NSHDSACASA-N 265.357 2.546 30 40 CFEB CCCCC[C@H](O)C#Cc1ccc(OC)c(OC)c1 95631938 SVTJIRNSIWTJNB-AWEZNQCLSA-N 262.349 2.997 30 40 CFEB CCc1nc(C)c(/C(O)=N/Cc2ncnn2C(C)C)s1 331357391 TWUYHVWSCDDJEV-UHFFFAOYSA-N 293.396 2.691 30 40 CFEB Cn1ccnc1CCNc1cc(C#N)ccc1C(F)(F)F 97096885 RKSKSUMNSLZFDH-UHFFFAOYSA-N 294.280 2.965 30 40 CFEB O=C(COc1cc(Cl)c(Cl)cc1Cl)NO 5008990 SAPFBGOAVUKGFL-UHFFFAOYSA-N 270.499 2.531 30 40 CFEB CC(C)c1nc([N+](=O)[O-])cn1[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 5614129 WFGDGXNGTKCSLH-ZQTYPGEWSA-N 278.312 2.716 30 40 CFEB CCCCCN/C(N)=N/c1nc(-c2cnc(C)[nH]2)cs1 31415524 OZSXWXGDJLBJQO-UHFFFAOYSA-N 292.412 2.568 30 40 CFEB C=C(C)Cn1cc(C(=O)OCC)c(=O)c2ccc(F)cc21 2069657542 OPAVJYPPLZPCER-UHFFFAOYSA-N 289.306 2.893 30 40 CFEB N#Cc1ccc(C(=O)OCc2nccn2C(F)F)cc1 32853940 LRCCNWBHIXVRFH-UHFFFAOYSA-N 277.230 2.507 30 40 CFEB CSc1nc(-c2ccc(C)cc2)nc(N)c1C#N 77447 MHURYDGYNFLMSP-UHFFFAOYSA-N 256.334 2.628 30 40 CFEB CCc1scc(C)[n+]1CC(=O)c1cccc([N+](=O)[O-])c1 1593408 NCAHSGCQWFHPCF-UHFFFAOYSA-N 291.352 2.698 30 40 CFEB C[C@H]1CCCCN1CCOc1cc([N+](=O)[O-])ccc1C#N 1661192 SCKAQSZHUWKIHF-LBPRGKRZSA-N 289.335 2.720 30 40 CFEB C=CCn1c(SCCC#N)nnc1-c1ccncc1 2479522 TUMSEQILBSFINR-UHFFFAOYSA-N 271.349 2.532 30 40 CFEB Cc1ccc2c(c1)/C(=N\Nc1ccccc1)C(=O)N2 4697733 XGURNPBQRAOBKF-UHFFFAOYSA-N 251.289 2.763 30 40 CFEB C=C1C[C@H](OC(C)=O)/C=C(/C)CC[C@@H](C(C)(C)O)C[C@H]1O 102952442 WAGDOKQHNWIHJF-LEPAZDHUSA-N 296.407 2.743 30 40 CFEB N#Cc1c(F)cccc1Nc1cnn(C[C@@H]2CCCO2)c1 58426665 YFKDKPCLMIUGBG-LBPRGKRZSA-N 286.310 2.816 30 40 CFEB CN(C)[C@@H](CNc1ncccc1C#N)C1CCCCC1 45802203 LXJSBZSZIMRLPP-HNNXBMFYSA-N 272.396 2.876 30 40 CFEB CCOC(=O)[C@H]1O[C@]1(C)c1cccc(Br)c1 85657692 SWPUQKJOQHZAJP-ZYHUDNBSSA-N 285.137 2.626 30 40 CFEB Cc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 4453176 ANIUPVPHYYIJMO-CYBMUJFWSA-N 299.351 2.922 30 40 CFEB Cc1ccccc1/N=N/c1c(C)c(C#N)c(=O)n(C)c1O 6504574 JJNYAWXTCSRTQF-ISLYRVAYSA-N 282.303 2.995 30 40 CFEB O=C1N[C@H](c2ccccc2F)C(C(=O)c2ccccc2)=C1O 5819174 MAFDYAFVYLIRAP-CQSZACIVSA-N 297.285 2.692 30 40 CFEB Cc1ccc(N/C(N)=N/Cc2ccc3c(c2)OCO3)cc1 69808803 QELQLFTTYHRQCN-UHFFFAOYSA-N 283.331 2.651 30 40 CFEB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C#N)c1 225796776 HZKMVGHADKPBTO-HNNXBMFYSA-N 276.336 2.711 30 40 CFEB C=C(Br)Cn1cnc2ccc(C)cc2c1=O 48834607 OOVHNXVGXNVGPN-UHFFFAOYSA-N 279.137 2.614 30 40 CFEB COc1cc(C#N)cc(Cl)c1O[C@@H]1CCCC[C@@H]1O 193098269 QYEUTSJJUOBMMR-NWDGAFQWSA-N 281.739 2.903 30 40 CFEB CSc1nc(N)c(C#N)c(COc2cccc(C)c2)n1 223684123 XEWVOSSYJXASJR-UHFFFAOYSA-N 286.360 2.540 30 40 CFEB Cc1ccc(Cc2nn(C(C)(C)C)c(N)c2C#N)cc1 225835201 RUFDBPHZFBXOAJ-UHFFFAOYSA-N 268.364 2.991 30 40 CFEB C[C@@H](c1ccccc1F)S(=O)(=O)CCCC#N 97097902 FDRCNMBMWRNQHW-JTQLQIEISA-N 255.314 2.605 30 40 CFEB CCCNc1nn(-c2ccc(C)cc2C)nc1C#N 256048076 QNSHPJQERLRKFE-UHFFFAOYSA-N 255.325 2.578 30 40 CFEB Cc1ccc(C)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 30283721 RLMXMVRRFRHIEV-MRXNPFEDSA-N 271.364 2.524 30 40 CFEB C=CCNC(=S)Nc1cccc(-c2ccnc(C)n2)c1 44106979 FAIRFZYMWSFRBB-UHFFFAOYSA-N 284.388 2.924 30 40 CFEB C[C@@H](C#N)Sc1nnc(C2CC2)n1Cc1ccco1 47822426 FFQCNVQFHPFXEH-VIFPVBQESA-N 274.349 2.801 30 40 CFEB C/C(=N/[N+](C)(C)C)c1ccc(Br)cc1 5831446 YNGAEOAYJKRLDK-LCYFTJDESA-N 256.167 2.879 30 40 CFEB C[C@@H](C#N)Cn1nc(C(F)(F)F)c2c1CCCC2 12395646 UTZNSCGMYLGENM-QMMMGPOBSA-N 257.259 2.940 30 40 CFEB CCc1nc(N)c(C#N)c(-c2ccc(O)c(OC)c2)c1C 19095763 JDEGETYTXUWVJF-UHFFFAOYSA-N 283.331 2.788 30 40 CFEB C=CCNC(=O)[C@H](C)Nc1ccc2nc(C)sc2c1 28876716 DALKWIXBDBSDSN-VIFPVBQESA-N 275.377 2.707 30 40 CFEB C/C(=N/N1CCN(c2ccccc2)CC1)c1ccccc1O 102459321 VGPNSVINCKOLHJ-CYVLTUHYSA-N 295.386 2.938 30 40 CFEB O=C1C=C(c2ccccc2)OC(=O)[C@H]1C(=O)c1ccccc1 358885 PWKVTTYAAUTDHI-MRXNPFEDSA-N 292.290 2.653 30 40 CFEB C=CCc1ccccc1OCC(=O)Nc1nccs1 1284758 KBEIDUQLWYIYHO-UHFFFAOYSA-N 274.345 2.889 30 40 CFEB COc1ccc(NC(=O)c2ccc(C#N)cc2)c(OC)c1 3441107 FOEKCYPKBPDQFL-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB CCC[C@](C)(CCCNC(=O)C(C)(C)C#N)C1OCCO1 72306521 ILGAIQHPKQNADD-MRXNPFEDSA-N 296.411 2.612 30 40 CFEB C=CCNC(=S)N/N=C1\C=C(C)CC(C)(C)C1 5833713 RWBFOTCJHYAUIH-RVDMUPIBSA-N 251.399 2.759 30 40 CFEB Cc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1 409093937 BUUTXFWAHFKMLR-OQLLNIDSSA-N 256.265 2.744 30 40 CFEB COc1cc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)ccc1O 71280260 SSXDWAXLTUNHNP-XWAFYUISSA-N 296.326 2.708 30 40 CFEB Cc1ccc(Cn2nc(C(C)(C)C)c(C#N)c2N)cc1 225845688 QAWGJUFPFSDFNU-UHFFFAOYSA-N 268.364 2.991 30 40 CFEB C=CCn1cc(C(=O)/N=c2\sccn2C)c2ccccc21 63537013 DUPVLOWIGRNGNU-MSUUIHNZSA-N 297.383 2.968 30 40 CFEB C#CC[C@@H](NCC(=O)Nc1ccccc1)c1ccccc1 390833001 AKFSVZOGRXEBAF-QGZVFWFLSA-N 278.355 2.979 30 40 CFEB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 69623141 ZOROMXKWIQDQFI-UHFFFAOYSA-N 297.289 2.908 30 40 CFEB N#C[C@H](Sc1ncn[nH]1)c1ccc(Cl)cc1 5763595 TXGUBKMLWGKQLE-VIFPVBQESA-N 250.714 2.815 30 40 CFEB CCOP(=O)(/N=C(\C(C)C)N(C)C)OCC 16155778 PGJPZBTXCKEPEE-ZHACJKMWSA-N 250.279 2.784 30 40 CFEB CO[C@H]1C[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]1C2 169807530 YEYBRTMMOJKDHE-REBRKWNGSA-N 296.388 2.514 30 40 CFEB O=C1C=C2OCOC2=C/C1=C/C=C\c1ccccc1 5440084 VPMDULOGKIZXLV-TWMMPZAQSA-N 252.269 2.981 30 40 CFEB CCN(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 7386595 GKXRLPZVMRBGMI-UHFFFAOYSA-N 286.356 2.773 30 40 CFEB C=CCO/N=C1\C[C@H]2[C@H](C[C@]1(C)N(C)C)C2(C)C 100737044 KDOWIRPIALEFSJ-VBRKNADYSA-N 250.386 2.931 30 40 CFEB CCc1nc(COC(=O)c2ccc(C#N)cc2)cs1 22741548 SFVKZAMHXWKQOM-UHFFFAOYSA-N 272.329 2.934 30 40 CFEB CC(=O)c1cccc(NC(=O)COc2ccccc2C#N)c1 3445356 SEBMLBYDVALCNA-UHFFFAOYSA-N 294.310 2.778 30 40 CFEB C=CCn1c(S[C@H](C)C#N)nc2ccccc2c1=O 8282416 AOTBXXDHVBCHJK-SNVBAGLBSA-N 271.345 2.587 30 40 CFEB C=CCN(CC=C)C(=O)c1ccc(CN2CCCC2)o1 27984545 RPOUQHBHXRVWSK-UHFFFAOYSA-N 274.364 2.690 30 40 CFEB CS(=O)(=O)/N=C(\O)C(c1ccccc1)c1ccccc1 48478807 YDHHQQWRHPVBPL-UHFFFAOYSA-N 289.356 2.735 30 40 CFEB COc1ccc(NC(=S)N/N=C/c2ccco2)cc1 6299337 CVZSXHJACQGDDB-NTEUORMPSA-N 275.333 2.609 30 40 CFEB Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(C#N)cn2)n1 72276479 XWYQUWSEKVOFLI-INIZCTEOSA-N 295.390 2.826 30 40 CFEB C/N=C(\NC)NCc1cc2c(s1)CCC(C)(C)C2 95963775 CDTCTHLGXQPLNP-UHFFFAOYSA-N 265.426 2.558 30 40 CFEB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncccc1C#N 9910909 DZAXKRDNIAGRBG-RYUDHWBXSA-N 289.404 2.835 30 40 CFEB N#Cc1ccccc1N1CCCN(Cc2ccccn2)CC1 76969663 CYEJKPZQRWCQQQ-UHFFFAOYSA-N 292.386 2.666 30 40 CFEB CN(C(=O)CSc1ccccn1)C1(C#N)CCCCC1 5622497 GHBLTHFDVCDPST-UHFFFAOYSA-N 289.404 2.859 30 40 CFEB C=CCOc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 216909767 BIAFPHJUHUOGMU-ZDUSSCGKSA-N 274.364 2.532 30 40 CFEB COC[C@@H](Nc1ccc(C#N)nc1)c1ccc(C)o1 195536173 OYPKSQHPGWJBMZ-CYBMUJFWSA-N 257.293 2.654 30 40 CFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2 96071443 WGNZNKDUNBFAMG-GOSISDBHSA-N 299.418 2.647 30 40 CFEB C=CCN1CCN(C(=O)C2CCC2)Cc2ccc(C)nc21 96199066 GYJDUOPOTBTDRA-UHFFFAOYSA-N 285.391 2.525 30 40 CFEB COC(=O)N1CCC(Nc2c(Cl)cccc2C#N)CC1 96429235 NWEYIUFHGTZGOQ-UHFFFAOYSA-N 293.754 2.854 30 40 CFEB C=CCOC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 96056387 VTRDIZFTYLLGIJ-BRWVUGGUSA-N 291.391 2.913 30 40 CFEB O=C1OC[C@@H](CC(F)(F)C(F)(F)C(F)(F)F)O1 169797554 NGJPKXNAOGRGAB-GSVOUGTGSA-N 270.100 2.745 30 40 CFEB Cc1ccc(C)c(OCCCC(C)(C)C(=O)NO)c1 66201374 GXPAJPNNHACIKC-UHFFFAOYSA-N 265.353 2.994 30 40 CFEB CC(C)Oc1ccc2ccccc2c1/C=N/NC(N)=S 107929877 WUXXVSPWXREDPQ-RQZCQDPDSA-N 287.388 2.794 30 40 CFEB N#Cc1ccc(Cn2cc(C(F)(F)F)ccc2=O)c(F)c1 11235977 AYJIBHOKDRIIKE-UHFFFAOYSA-N 296.223 2.926 30 40 CFEB C/C(NC(=O)c1ccco1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100745932 VCAYLNFZSFYZRO-ZSKORGCUSA-N 259.305 2.528 30 40 CFEB biogenic C#Cc1cccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1 12982012 WUZQMHOQPTVBEU-UHFFFAOYSA-N 298.386 2.501 30 40 CFEB N#Cc1cccc(CN2CC[C@H](CNc3ccccn3)C2)c1 65452561 XZQLKABVOMPZMG-QGZVFWFLSA-N 292.386 2.887 30 40 CFEB C[C@H](CC(N)=O)NCc1ccc(-c2ccccc2C#N)cc1 91412153 WMLGQBRJUGBXJH-CYBMUJFWSA-N 293.370 2.579 30 40 CFEB Cc1cnn([C@H](C)[C@@H](C)NCc2cc(C#N)ccc2F)c1 69538579 BDQHPDAZHYIIKI-CHWSQXEVSA-N 286.354 2.942 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@H](C)Oc1ccccc1Cl 69595333 QHGWYTTYLJWDOG-WDEREUQCSA-N 280.755 2.916 30 40 CFEB CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1Cl 8745245 VOUWYUSSTAOVOW-UHFFFAOYSA-N 293.175 2.528 30 40 CFEB CNC(=NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NC 97000525 QUOMTMUQUUAVJW-UHFFFAOYSA-N 295.386 2.583 30 40 CFEB Cc1ccc(N2C[C@H](C#N)S(=O)(=O)c3ccccc32)cc1 67172823 XFCDRQNGJXIFQB-AWEZNQCLSA-N 298.367 2.813 30 40 CFEB CC[C@H](C#N)NC1CCN(Cc2ccccc2)CC1 31343086 XARCFSHZUKBOAM-OAHLLOKOSA-N 257.381 2.543 30 40 CFEB CSc1ncnc(NCc2cccs2)c1C#N 41527785 KLPYNFIRICCAHA-UHFFFAOYSA-N 262.363 2.744 30 40 CFEB C[C@@H](C#N)CNC(=O)Nc1ccc(Br)cc1 75109138 IFTBMNRXCHTLHP-QMMMGPOBSA-N 282.141 2.730 30 40 CFEB N#Cc1c(Cl)nsc1NCC[C@H]1CCCO1 95951647 RWBFHNDPRRJXAQ-SSDOTTSWSA-N 257.746 2.649 30 40 CFEB O=C1CS/C(=N\c2ccccn2)N1C1CCCCC1 100436636 QSUXBAFNQJQXLI-PEZBUJJGSA-N 275.377 2.977 30 40 CFEB N#Cc1cccnc1NCc1ccc(-c2ccn[nH]2)cc1 40436968 AZROBZUOEFLUKC-UHFFFAOYSA-N 275.315 2.955 30 40 CFEB CSc1ccccc1C(=O)N[C@@](C)(C#N)C1CC1 32859918 JTWJKEPMERXCMM-AWEZNQCLSA-N 260.362 2.831 30 40 CFEB C[C@@H](O)c1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1 53755769 LXCGTYFIYCJNQW-GFCCVEGCSA-N 295.342 2.933 30 40 CFEB CCCCCCCNC(=O)C(=O)N[C@@H](C)c1ccccc1 103754046 FFYGNBDHVBKMBT-AWEZNQCLSA-N 290.407 2.950 30 40 CFEB CCN(CC)c1ccc(Nc2ccc(C#N)cn2)cn1 55659696 USIIFCGIHVLUQZ-UHFFFAOYSA-N 267.336 2.938 30 40 CFEB COCCCNc1oc(-c2ccccc2OC)nc1C#N 2407603 VPDVWVWUVLVIPP-UHFFFAOYSA-N 287.319 2.670 30 40 CFEB CCCN1C(=O)C/C(=C/C(C)=O)Nc2ccccc21 104277257 BAUDRCKAFZEAMQ-XFXZXTDPSA-N 258.321 2.718 30 40 CFEB N#C[C@@H](C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccn1 49456342 UPJITZGCKHMPCY-HSBSLETESA-N 293.282 2.879 30 40 CFEB CN(CC1CCCC1)C(=O)NCc1cccc(C#N)c1 49518277 BTQNNDKLPNQVRM-UHFFFAOYSA-N 271.364 2.890 30 40 CFEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1 20637348 BNBOVZDOQNBGRD-DOMZBBRYSA-N 288.310 2.718 30 40 CFEB O=C(O)c1cc(N/N=C/c2ccccn2)ccc1Cl 5867585 NDHLQANIGBGVSQ-LZYBPNLTSA-N 275.695 2.879 30 40 CFEB CCCCN([C@@H](C)c1ccccc1)S(=O)(=O)CC#N 95439642 NCYONSZYYYZZNM-ZDUSSCGKSA-N 280.393 2.703 30 40 CFEB C#CCOc1ccc([C@H](C)NCCc2ccccn2)cc1 89904848 OLOHCWFYCGNTLJ-HNNXBMFYSA-N 280.371 2.987 30 40 CFEB COc1cc(CC#N)cc(Br)c1OC 70453820 DRGDMDGVALWETE-UHFFFAOYSA-N 256.099 2.532 30 40 CFEB SC(S)=NC1CCN(Cc2ccccc2)CC1 34839964 XATAETXGENCVOV-UHFFFAOYSA-N 266.435 2.867 30 40 CFEB C#CCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl 70640815 FAAQEGJVBZWTQG-UHFFFAOYSA-N 292.187 2.603 30 40 CFEB CN1CCN(/N=C/c2ccc(-c3ccc(F)cc3)o2)CC1 36267193 PTLGZLICHMJGPF-LDADJPATSA-N 287.338 2.667 30 40 CFEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 218034542 JCXCBCVQHKJEEG-HRCADAONSA-N 283.352 2.766 30 40 CFEB O=C(N=C(C(F)(F)F)C(F)(F)F)C(F)(F)F 95696976 KORGPNIUGIZHFN-UHFFFAOYSA-N 261.043 2.641 30 40 CFEB CCO/C=C(\C(C)=O)C(=O)Nc1ccc(OCC)cc1 255189519 QIJRMEZPUWLGPU-GXDHUFHOSA-N 277.320 2.533 30 40 CFEB N#CCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 53095908 WGHFYWMPZFDFND-CQSZACIVSA-N 272.348 2.898 30 40 CFEB S=C(N/N=C1/C[C@H]2CC=C[C@@H]12)NC1CCCCC1 35418450 UFVKCCIMTCMUOY-KTIPYJLNSA-N 263.410 2.735 30 40 CFEB CC1=CC[C@@](C(=O)C(C)C)([C@@H](C)CC(=O)O)CC1=O 1772591880 SXUCLMYZAREXCX-NHYWBVRUSA-N 266.337 2.618 30 40 CFEB O=C(O)CC[C@](F)(OC(F)(F)F)C(F)(F)F 16159366 RNKVRXPFNPPBHP-BYPYZUCNSA-N 258.089 2.616 30 40 CFEB C=C(C(=O)O)[C@@H]1C[C@H](O)[C@]2(C)CCCC(=C)[C@H]2C1 35457715 IBJRJSQUSVUUDO-SFDCQRBFSA-N 250.338 2.761 30 40 CFEB biogenic,in-vitro CC/C=C/COC(=O)C1CCN(c2ccc(C#N)cn2)CC1 52749116 AEGBVYIBSDPUIU-ONEGZZNKSA-N 299.374 2.679 30 40 CFEB COC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 1354511 PTMRPQDOOYAXMQ-UHFFFAOYSA-N 286.356 2.988 30 40 CFEB C=CCSc1nc(-c2cccc(OC)c2OC)n[nH]1 2562118 NKCPQBKIFQERIB-UHFFFAOYSA-N 277.349 2.767 30 40 CFEB O=C[C@]12[C@H]3[C@H]4C=CC[C@@H]4[C@@H]4[C@H]5[C@@H]6[C@H]7[C@H](CC[C@H]7[C@@H]1[C@H]6[C@H]43)O[C@H]52 104288714 GVVNEXCWLFFAGP-VUYDRZGVSA-N 294.394 2.539 30 40 CFEB C#CCNC(=O)c1sc(-c2ccccc2)cc1OC 48224016 XOYFLUMVYQVVGI-UHFFFAOYSA-N 271.341 2.787 30 40 CFEB Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])cc2C#N)n1 6507717 JSXUWKMVEQWUID-UHFFFAOYSA-N 299.334 2.782 30 40 CFEB CC[C@H](C)Oc1cc(CNc2nccnc2C#N)ccn1 95990679 XOWPBMDAQCEGOU-NSHDSACASA-N 283.335 2.533 30 40 CFEB COc1ccc(C)cc1C[S@](=O)CCCC#N 123537559 RMZSMYQSJAWVJD-KRWDZBQOSA-N 251.351 2.556 30 40 CFEB CC(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@H]2[C@H]1O 253480988 CZZAIHWBOUXBPS-IWTMDLJTSA-N 254.370 2.509 30 40 CFEB biogenic,in-vitro O=C(C#Cc1ccccc1)COCc1ccccc1 390799259 MWVBJBXNZWGZII-UHFFFAOYSA-N 250.297 2.824 30 40 CFEB COc1cc(Br)c(C#N)cc1C(C)=O 953039166 JRFUZNLJTKJZBB-UHFFFAOYSA-N 254.083 2.532 30 40 CFEB C[C@H](C#N)OCCC(F)(F)C(F)(F)Br 1083811042 PQRJOXRCMCLUDM-RXMQYKEDSA-N 278.043 2.928 30 40 CFEB CSC(=S)N/N=C(\C)c1cnc2ccccc2n1 16137166 IXHIIRHYXDBNIO-OVCLIPMQSA-N 276.390 2.591 30 40 CFEB C=C(C)CNC(=O)Nc1cnn(CCC(C)C)c1C 157654239 DJNLJRAIENJKBT-UHFFFAOYSA-N 264.373 2.935 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C\N1CCc2ccccc21 1463203 TXPZPBCBKCLAIO-SDNWHVSQSA-N 291.306 2.735 30 40 CFEB Cc1nc(S[C@H](C)C(=O)O)c(C#N)c(C)c1Cl 110926 WSTMMZAZOHLFLK-SSDOTTSWSA-N 270.741 2.789 30 40 CFEB COC(=O)C(C)(C)Sc1nc2c(cc1C#N)CCCC2 12364909 CTPMPGOUVXWKEW-UHFFFAOYSA-N 290.388 2.876 30 40 CFEB C[C@H](C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](C)(C)C 100757761 MTKDXEQLJAGGHQ-BRXULGCHSA-N 268.421 2.839 30 40 CFEB biogenic C[C@H](C/N=C(/N)Nc1ccccc1)CN1CCCCC1 52047738 ZDRNCIRTUCLNPZ-CQSZACIVSA-N 274.412 2.535 30 40 CFEB CCCc1cc(NN)n2c(nc3ccccc32)c1C#N 520896 GCEVTASLYCIDAJ-UHFFFAOYSA-N 265.320 2.597 30 40 CFEB O=C(Cc1noc2ccccc12)NCC#Cc1ccccc1 55316995 CNGHGGVTDKJGPX-UHFFFAOYSA-N 290.322 2.538 30 40 CFEB C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 45815118 WSESWXRDLPZDHP-LBPRGKRZSA-N 294.420 2.764 30 40 CFEB C[C@H](CC#N)N(C)C(=O)CCCOc1cccc(F)c1 69846356 YBOZXAXJRFABIW-GFCCVEGCSA-N 278.327 2.745 30 40 CFEB CC(C)c1nc([C@@H]2CCCN2c2ccc(C#N)cn2)no1 75573142 WIJZXCNYRKNHJZ-LBPRGKRZSA-N 283.335 2.801 30 40 CFEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)c1 408750965 UPUHFGFQIRTJCN-PXNMLYILSA-N 286.291 2.753 30 40 CFEB C=CCn1cnnc1Sc1nc2ccccc2nc1C 32771227 JNHLWMGISUIYFR-UHFFFAOYSA-N 283.360 2.867 30 40 CFEB N#Cc1cn(Cc2ccccc2)nc1Br 218307372 PDRSQEBEXKYBSE-UHFFFAOYSA-N 262.110 2.566 30 40 CFEB CCCc1c(N)cc(C#N)n1Cc1ccc(OC)cc1 225856753 QLFRRIZHZHHJHU-UHFFFAOYSA-N 269.348 2.951 30 40 CFEB COc1nccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12 675038123 XQUHCDKIZIRIQW-UHFFFAOYSA-N 285.152 2.543 30 40 CFEB Cc1ccc(NC(=O)c2ccoc2)cc1NCC#N 13534139 HEVZYKSEXGMAQC-UHFFFAOYSA-N 255.277 2.776 30 40 CFEB O=[N+]([O-])c1ccc2c(cnn2[C@@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)c1 16431406 OVDPYCAWLMLMMB-UGRHMXQKSA-N 286.291 2.746 30 40 CFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(C)ccc2C)C(=O)O1 3549160 RUEBLLMGVZUQIU-MOEXGYKKSA-N 284.311 2.532 30 40 CFEB CC(C)(C)OC(=O)C[C@@H]1C[C@@H](CC#N)OC(C)(C)O1 34441190 DPNRMEJBKMQHMC-MNOVXSKESA-N 269.341 2.542 30 40 CFEB in-vitro CCc1nc(N[C@H](CC)CO)c(C#N)c2c1CCCC2 20590086 LPWAGUGHRIZLEG-LLVKDONJSA-N 273.380 2.577 30 40 CFEB C#Cc1cccc(NC(=O)c2cccc(OC)c2OC)c1 23055105 RKNWPTBSCMUMNO-UHFFFAOYSA-N 281.311 2.937 30 40 CFEB CC(=O)C1=C(C)O[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 100789855 KEKFJLSGEDMKDX-CHWSQXEVSA-N 281.695 2.920 30 40 CFEB CC[C@@H]1S/C(=N/N=C\c2ccc(Cl)cc2)NC1=O 9189490 HQLGCHOOQWLIJP-IXIHQHOXSA-N 281.768 2.672 30 40 CFEB Cc1cccc(N2CCN(C[C@@H](C#N)CCC#N)CC2)c1 28689937 OSLNEVGUQMWZQO-MRXNPFEDSA-N 282.391 2.561 30 40 CFEB CC[C@@H](SC)/C(O)=N/c1nc(C(C)C)nn1C 95431299 BMMWMTYOBHJSDY-MRVPVSSYSA-N 256.375 2.668 30 40 CFEB Cc1nnc(N(C)Cc2ccoc2C)c(C#N)c1C 48755798 SVLQZPRMZFJCJI-UHFFFAOYSA-N 256.309 2.503 30 40 CFEB N#Cc1ccccc1OCc1cccc(C(=O)O)c1 19512750 AWUHBXMUGLGASF-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB in-vitro O=S(=O)(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc(Cl)cc1 5675215 DNQCVOWNLGVEFD-XZEJSEMASA-N 296.779 2.570 30 40 CFEB N#Cc1cccnc1NCc1ccc2c(c1)OCCCO2 66818880 MRFNGDVMDNQCDG-UHFFFAOYSA-N 281.315 2.727 30 40 CFEB Cn1cc([C@H]2CCCN2Cc2cccc(C#N)c2)cn1 69652213 IBXVPJKNCQICMH-MRXNPFEDSA-N 266.348 2.629 30 40 CFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NOCc1ccccc1 8777723 RLIWIFKBPOKRIY-ZDUSSCGKSA-N 296.326 2.574 30 40 CFEB CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(CC#N)c2)C1(C)C 73257254 GNULYVFTGZGHQH-PBHICJAKSA-N 286.375 2.686 30 40 CFEB CCN(CC)/C(N)=N/Cc1ccccc1N1CCCCC1 195552725 BPYUBKYSBOSQCE-UHFFFAOYSA-N 288.439 2.833 30 40 CFEB CC(=O)O/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 85346690 WMQSBOJHKOIJRN-RIYZIHGNSA-N 274.232 2.752 30 40 CFEB CO[C@H]1CCCCC[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] 95414968 LAQXDBVCWZDKMR-NEPJUHHUSA-N 290.323 2.621 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)CC2CC2)c(F)c1 97212717 ZZPDKRHUNKFMCI-UHFFFAOYSA-N 271.313 2.579 30 40 CFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@H]1C[C@@H](O)C2 254306210 GOHJOBOSPPHNQS-SISKNIMQSA-N 290.403 2.604 30 40 CFEB C[C@H](C#N)OCC(F)(F)C(F)(F)C(F)(F)F 1083811036 PALPALMMXCQBDW-SCSAIBSYSA-N 253.117 2.748 30 40 CFEB N#Cc1cccc(NC(=O)COCCOc2ccccc2)c1 20261591 GSQKMICAJOVMNS-UHFFFAOYSA-N 296.326 2.592 30 40 CFEB C=CCn1c(C)nnc1SCCOc1ccccc1 20425392 IZQTVHSXEFQUOX-UHFFFAOYSA-N 275.377 2.944 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(F)c1 25101128 CFNDRBSQKBMVKW-UHFFFAOYSA-N 282.318 2.898 30 40 CFEB CCCCCC1=C(C)CC/C1=N\Nc1nc(=O)c(C)n[nH]1 44392372 QDIARPZYNZBIDX-QGOAFFKASA-N 289.383 2.932 30 40 CFEB Cc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1 2377989 XLCKLADHWZEQQK-UHFFFAOYSA-N 284.363 2.885 30 40 CFEB CC(=O)c1ccccc1NCC(=O)Nc1cccc(C#N)c1 5939221 OBIHCBWKDRUIIB-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCCOc2ccccc2C#N)c1 69508162 JXGQPGCFXIDCNI-GJZGRUSLSA-N 298.390 2.681 30 40 CFEB C/N=C(/NCc1ccccc1)N(C)Cc1ccccc1 72271864 YISYYORZEYGIPC-UHFFFAOYSA-N 267.376 2.894 30 40 CFEB CC(C)(CCC#N)CNC[C@@H]1CCCn2ccnc21 89761649 HDROIFQBGLOXIQ-ZDUSSCGKSA-N 260.385 2.680 30 40 CFEB Cc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409102467 ABVJTXBSKIGCJN-OQLLNIDSSA-N 256.265 2.744 30 40 CFEB C=CCNS(=O)(=O)c1ccc(OCC)c(C(C)C)c1 36638825 WCNPOZKMBBXRLJ-UHFFFAOYSA-N 283.393 2.673 30 40 CFEB COc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1F 95096087 UMIYNXZQMNIQFD-KCJUWKMLSA-N 280.217 2.853 30 40 CFEB N#CCCCCS(=O)(=O)N[C@@H]1C[C@@H]1C1CCCCC1 96428342 WEIAVECMBZKXEP-ZIAGYGMSSA-N 284.425 2.568 30 40 CFEB CCc1ccc(S(=O)(=O)OCC(F)(F)F)s1 79222581 ASPNTQUCTFYUJY-UHFFFAOYSA-N 274.285 2.578 30 40 CFEB N#Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 301067223 CRRQMTYSPUFOEJ-UHFFFAOYSA-N 291.398 2.923 30 40 CFEB COc1ccccc1[C@@H](O)C1=CC(=O)c2ccccc2C1=O 1688852 DSWWHFIZZUAYDV-GOSISDBHSA-N 294.306 2.734 30 40 CFEB COc1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 3518723 HGEWYDKIXAKZRU-UHFFFAOYSA-N 280.327 2.539 30 40 CFEB COc1ccc(-c2nnc(SCCC#N)o2)cc1 6638536 LXJPBYMLQGCDIL-UHFFFAOYSA-N 261.306 2.751 30 40 CFEB O=C(O)Cc1c(F)c(F)c(C(F)(F)F)c(F)c1F 1723283 XFHNUTKYNIQKJU-UHFFFAOYSA-N 276.107 2.889 30 40 CFEB C/N=C1/S/C(=C/c2ccc(C)s2)C(=O)N1C 101632766 DDEGVIDZQOCUDP-SQXBUMSNSA-N 252.364 2.588 30 40 CFEB C/C(=N/S(=O)(=O)c1ccc(C)c(C)c1)OC(C)C 104065556 OXPUNLMPUQFWHI-OWBHPGMISA-N 269.366 2.836 30 40 CFEB N#Cc1cccc(OCC(=O)Nc2ccc(F)cc2F)c1 3439377 UTKOFNHLGUILGN-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB Cn1cc(C(=O)Oc2ccc(C#N)cc2)c(C(F)(F)F)n1 4060297 FVSDPEMCCGVHTA-UHFFFAOYSA-N 295.220 2.530 30 40 CFEB Cc1cc(C)n2c(SCc3cccc(C#N)c3)nnc2n1 5213381 VLYATADREUKSHY-UHFFFAOYSA-N 295.371 2.905 30 40 CFEB O=S(=O)(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(Cl)cc1 5675261 DNQCVOWNLGVEFD-TUKVHPRHSA-N 296.779 2.570 30 40 CFEB CC[C@H](C#N)NC(=O)CCNc1cc(Cl)ccc1OC 69453016 NDCVFEAFRCVTBQ-LLVKDONJSA-N 295.770 2.569 30 40 CFEB CC[C@@H](C#N)NC(=O)CCCOc1ccccc1Cl 69632951 DYLOMDAQCKXSGX-NSHDSACASA-N 280.755 2.917 30 40 CFEB C=CCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 8642583 PUMJDIWJSFYMLQ-UHFFFAOYSA-N 281.768 2.611 30 40 CFEB N/C(=N\C(=O)c1ccccc1F)Nc1nc2ccccc2o1 18276970 RZRHYMXESBJNNX-UHFFFAOYSA-N 298.277 2.534 30 40 CFEB N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@@H]1C(N)=O 95429702 HDBXOHZDODJCNU-JQWIXIFHSA-N 297.280 2.643 30 40 CFEB CCOCCC1(C/N=C(\N)N2CCCCC2)CCCC1 97014841 SXIUMPYCRNAUFL-UHFFFAOYSA-N 281.444 2.774 30 40 CFEB Cn1c(C(=O)NC2(C#N)CCC2)ccc1-c1ccccc1 98013521 QTOJVOINCDBZRM-UHFFFAOYSA-N 279.343 2.868 30 40 CFEB N#Cc1ccc(-c2nccnc2Cl)nc1Cl 35572384 HENYEUUSPKHMGW-UHFFFAOYSA-N 251.076 2.717 30 40 CFEB CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)s1 198085682 BZBQJCCBNIMKQH-UHFFFAOYSA-N 283.202 2.620 30 40 CFEB CN(Cc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 619511044 WRFNGXFNAYWKRO-UHFFFAOYSA-N 280.327 2.966 30 40 CFEB CCCNc1nn(-c2ccccc2Cl)nc1C#N 256048284 RYWSVJZFTZSMQX-UHFFFAOYSA-N 261.716 2.614 30 40 CFEB Cc1nc(/C=C/C(=O)N(CCC#N)C(C)C)cs1 69452624 VLRBBNABTMCWAU-AATRIKPKSA-N 263.366 2.615 30 40 CFEB CN(/N=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 6375477 QAWTVVBQSNHAOF-CXUHLZMHSA-N 299.286 2.794 30 40 CFEB Cc1ccc(CC(=O)NCc2ccc(C#N)cc2)cc1 36396851 SEEUUGVKSDIJFI-UHFFFAOYSA-N 264.328 2.726 30 40 CFEB CCOC1=CC(=CC=C2C=CC=CN2C)C=CC1=O 1857622231 VKOPSUULTURNDZ-UHFFFAOYSA-N 255.317 2.871 30 40 CFEB CCOC(=O)c1ccc(NC(=O)O/N=C(/C)Cl)cc1 100228893 QNQRLCBGFLVRLN-NVNXTCNLSA-N 284.699 2.984 30 40 CFEB COC(=O)CCCCC(=O)c1ccc(C#N)c(F)c1 575361849 NNHIUKKLVPJBSV-UHFFFAOYSA-N 263.268 2.613 30 40 CFEB N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 32907458 FRCKWFQRNRPLRH-MRXNPFEDSA-N 277.327 2.931 30 40 CFEB COc1ccc(/C(Cc2ccccc2)=N\O)c(O)c1 103922186 ZWZONOUUSIGLOE-PEZBUJJGSA-N 257.289 2.822 30 40 CFEB COc1ccc(C(=O)Nc2ccccc2C#N)cc1[N+](=O)[O-] 513738 XDRDXPHASHPWIY-UHFFFAOYSA-N 297.270 2.727 30 40 CFEB Cc1cc(C)n(C[C@H](C)CNCc2cccc(C#N)c2)n1 47748323 NUMQSPLVMSGGNW-CYBMUJFWSA-N 282.391 2.798 30 40 CFEB Cc1nc(C#N)c(NC[C@H](c2cccs2)N(C)C)o1 27793391 GCGPXDAPWSSXAB-LLVKDONJSA-N 276.365 2.631 30 40 CFEB C=CCO[C@H]1CO[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 107730512 SZLCPPFJDJPDNL-IAGOWNOFSA-N 291.391 2.914 30 40 CFEB C=CCNC(=O)/C=C/c1ccccc1OC(F)F 13006801 SYVNYDPAQULLIH-BQYQJAHWSA-N 253.248 2.603 30 40 CFEB C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(C#N)cc1 7937994 FDRZQCDTEYNMBQ-STQMWFEESA-N 298.342 2.785 30 40 CFEB CC[C@@H](C#N)NC(=O)[C@H](C)Sc1ccc(OC)cc1 69509630 BWHIWBJGJFUNOP-QWRGUYRKSA-N 278.377 2.594 30 40 CFEB N#CCn1ccc(=O)c2ccc(C(F)(F)F)cc21 40164057 CWGATXXJCDBWLC-UHFFFAOYSA-N 252.195 2.544 30 40 CFEB Cc1cc(C)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)o1 130288725 HDRAESNVCXPDJO-UHFFFAOYSA-N 296.326 2.672 30 40 CFEB CC(=O)Oc1cccc(C(=O)c2cccc(C#N)c2)c1 43209860 KIOINACVIAJQKH-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB CCCCn1nc(OCc2ccccc2)c(C#N)c1N 225832150 KBFOJXFIXYUIHD-UHFFFAOYSA-N 270.336 2.716 30 40 CFEB CC(C)=CCC[C@@H](C)CCN1CCN(CC#N)CC1 192622425 PEWIWHAJTBSVQM-MRXNPFEDSA-N 263.429 2.900 30 40 CFEB Cc1ccc2nc(Nc3ccccc3)c(C=NO)c(=O)n2c1 252429288 WQAMFFJSEXOHTM-UHFFFAOYSA-N 294.314 2.555 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nc2ccccc2c(=O)n1C 1776001667 FRKRYQAJBMWNKT-BETUJISGSA-N 281.359 2.621 30 40 CFEB O[C@H](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 1536125053 NTKDZHJEWKDSCL-SSDOTTSWSA-N 266.087 2.978 30 40 CFEB CN1CCS/C1=N/c1ccc(OC(F)F)cc1 12634242 BQNOQIZKEFYKCR-SDNWHVSQSA-N 258.293 2.954 30 40 CFEB Cc1nn(C)cc1/C=C1/CC/C(=C\c2cn(C)nc2C)C1=O 2787240 HXHIXFIRGGZGFB-MFUUIURDSA-N 296.374 2.600 30 40 CFEB C=C1CCCN(C(=O)[C@H]2CCc3ccccc3O2)C1 575606963 PWYFHTRQAIIARN-OAHLLOKOSA-N 257.333 2.559 30 40 CFEB C=CCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1 21873603 INPIGGLZLSKUDO-UHFFFAOYSA-N 298.325 2.844 30 40 CFEB Cc1ccccc1C(=O)N1CCc2c(sc(N)c2C#N)C1 41583238 YEUGMECSQQAANH-UHFFFAOYSA-N 297.383 2.709 30 40 CFEB CC1=C[C@@H](c2ccoc2)c2c(oc(N)c(C#N)c2=O)S1 125952 CDFOMLMBRIBFJF-VIFPVBQESA-N 286.312 2.828 30 40 CFEB COCc1c(Br)c(C)nc(Cl)c1C#N 559306 XPKMQSJOIHGMBE-UHFFFAOYSA-N 275.533 2.824 30 40 CFEB C[C@@H](C#N)OC(=O)c1csc(-c2ccsc2)n1 25186104 XVOTYJOIDLKFIE-ZETCQYMHSA-N 264.331 2.940 30 40 CFEB N#CC1(NC(=O)CNc2cccc(Cl)c2F)CCCC1 25896754 XANXFQPDVSPDGJ-UHFFFAOYSA-N 295.745 2.844 30 40 CFEB CCc1cc(/C(Cc2csc(C)n2)=N/O)c(O)cc1O 100688548 BDMDPSIPKWTAGK-FOWTUZBSSA-N 292.360 2.846 30 40 CFEB CC[C@]1(C)C[C@@]2(CCCN(CC#CCN(C)C)C2)CCO1 1794661 YSTCJAQWGIWABF-QZTJIDSGSA-N 292.467 2.613 30 40 CFEB biogenic C=CCNC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 48065962 LJCAZBXTAQBAFD-JXMROGBWSA-N 274.320 2.570 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)CNc1cccc(C#N)c1 21889541 JITPMUQCEVNEIM-WFASDCNBSA-N 271.364 2.665 30 40 CFEB CN(CCCCCC(=O)/C=N/O)Cc1ccccc1 2231307 HPMNZFIOUMSAOA-FOWTUZBSSA-N 262.353 2.708 30 40 CFEB COc1cccc(CS(=O)(=O)c2ccc(C#N)cc2)c1 97377746 YXTQDNONKOWGOZ-UHFFFAOYSA-N 287.340 2.541 30 40 CFEB CN(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1 3427318 NWNDXPCMJGCZKK-UHFFFAOYSA-N 278.377 2.511 30 40 CFEB N#CCCNC(=O)CSC12CC3CC(CC(C3)C1)C2 7418206 UJTVQPONHPEDTQ-UHFFFAOYSA-N 278.421 2.718 30 40 CFEB Oc1ccccc1/C=N\NC(=S)Nc1ccc(F)cc1 17154867 OVCWJVRHOUKGII-SXGWCWSVSA-N 289.335 2.852 30 40 CFEB C=CCNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 76017265 ZPTSFNDXOYAHGP-JTQLQIEISA-N 276.233 2.914 30 40 CFEB COC[C@@H](C)Oc1c(N)cc(C#N)n1Cc1ccc(C)cc1 225877440 FZSQYNVOZCXVKD-CYBMUJFWSA-N 299.374 2.712 30 40 CFEB CC(C)c1ccc([C@H]2C[C@H]2/C(O)=N/S(C)(=O)=O)cc1 77940343 VPOCBKOWRIVDFH-CHWSQXEVSA-N 281.377 2.830 30 40 CFEB CCCc1nc(N)nc(Cc2ccc(F)cc2)c1C#N 223699569 ZDPAHNMHWAJRAC-UHFFFAOYSA-N 270.311 2.613 30 40 CFEB C=CCCNc1cccc(C(=O)N2CCSCC2)c1 96427555 XQVPSIZCMQMANF-UHFFFAOYSA-N 276.405 2.864 30 40 CFEB Cc1ccc(C(=O)/C(Cl)=C(/Cl)C(=O)O)cc1 33871605 VCMCBBIKYGLVQC-HJWRWDBZSA-N 259.088 2.952 30 40 CFEB N#CCCSc1nncn1-c1cccc(Cl)c1 7318783 VPLDWNXVTGKWKP-UHFFFAOYSA-N 264.741 2.926 30 40 CFEB Cn1cccc1C1=NN/C(=N\c2ccccc2F)SC1 23622513 GLTOXQABLZYOBR-UHFFFAOYSA-N 288.351 2.892 30 40 CFEB O=C1/C(=C/c2cc3c(cc2Cl)OCO3)N2CCC1CC2 13111751 SUVDZDMJZHWNCO-XGICHPGQSA-N 291.734 2.704 30 40 CFEB CC(C)(C)C(=O)/C=C/Nc1ccc(C(=O)O)c(O)c1 524028 XHSADBSHXPPSDO-VOTSOKGWSA-N 263.293 2.631 30 40 CFEB c1ccc(CN/C(=N\C2CC2)NC2CCCC2)cc1 72271937 PWZAJTKGVACOOY-UHFFFAOYSA-N 257.381 2.827 30 40 CFEB CN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1(C#N)CCC1 58412026 RACGXGBUGBXTQL-UHFFFAOYSA-N 297.358 2.553 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C2\CC[C@H]3C[C@H]23)c([N+](=O)[O-])c1 100170861 AHRJJPFGSXCRPK-OYFVLCQHSA-N 276.252 2.701 30 40 CFEB COc1cc2c(cc1OC)/C(=C/C(=O)C1CCC1)NCC2 4090315 XTATXOGDUBZMEY-UVTDQMKNSA-N 287.359 2.560 30 40 CFEB biogenic CC[C@H](C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1 69508395 QWDLWUUKXWIULO-SNVBAGLBSA-N 286.253 2.546 30 40 CFEB COc1ccc(/N=C2/C(=O)Nc3ccccc32)cc1 18142562 PXSATUQXASGWQE-UHFFFAOYSA-N 252.273 2.768 30 40 CFEB CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 71886408 BZBVSBREQACIEI-UHFFFAOYSA-N 274.364 2.639 30 40 CFEB C[C@H](C#N)CN(C)C(=O)c1c2c(nc3ccccc13)CCC2 68225999 YTBBCVWFWJQYGK-GFCCVEGCSA-N 293.370 2.955 30 40 CFEB CCCc1nn(Cc2cccc(C)c2)c(N)c1C#N 127811608 CTFFULTYFDVFJE-UHFFFAOYSA-N 254.337 2.646 30 40 CFEB Cc1ccc([C@H]2CN(CCCC#N)CCO2)c(C)c1 75786047 YVILCFDCIOGYFG-MRXNPFEDSA-N 258.365 2.981 30 40 CFEB N#Cc1ncn(Cc2c(Cl)ccc3cccnc23)c1C#N 97379927 NLRZQQIQRASAQV-UHFFFAOYSA-N 293.717 2.876 30 40 CFEB Cc1nccc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1 266357272 KFAHZJNAVSOGHJ-UHFFFAOYSA-N 294.358 2.705 30 40 CFEB Cc1cc(C)n(CCCNCc2cccc(C#N)c2)n1 96981478 GGXFJGSJMDGAST-UHFFFAOYSA-N 268.364 2.552 30 40 CFEB O=C1C=C(Nc2cccc(O)c2)c2ccccc2C1=O 1714366 QHRRYLXXVNMNCM-UHFFFAOYSA-N 265.268 2.611 30 40 CFEB CC(C)c1n[nH]c(SCC(=O)c2ccc(C#N)cc2)n1 14116924 RLJCJIIWECKNPC-UHFFFAOYSA-N 286.360 2.775 30 40 CFEB Cc1nc(NC(=O)c2ccc[nH]2)sc1SCC#N 77232392 ZFKDERYSDPIFAG-UHFFFAOYSA-N 278.362 2.648 30 40 CFEB CN(Cc1cccc(C#N)c1)C(=O)Cc1cccs1 25100104 CZUHQWDNBRMXOB-UHFFFAOYSA-N 270.357 2.821 30 40 CFEB C#Cc1cccc(NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 55768486 ZIAKIZKVSAGLBV-OKILXGFUSA-N 270.376 2.584 30 40 CFEB Oc1cccc(/C=N\c2ccc(N3CCOCC3)cc2)c1 104252358 VUKQYGPKQHOFMB-AQTBWJFISA-N 282.343 2.979 30 40 CFEB C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)F)n1 36618563 ADVQAXCDYPTAHY-UHFFFAOYSA-N 279.294 2.721 30 40 CFEB N#CCNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 60336344 DPPKYMYFCBNOJN-UHFFFAOYSA-N 294.358 2.530 30 40 CFEB CCOc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N 96004091 JYMYAJCSGMDJGF-NEPJUHHUSA-N 273.336 2.899 30 40 CFEB Cc1nc2ccccc2c(=O)n1Cc1ccc(C#N)cc1 7389405 JGGTUOYDBFXVJP-UHFFFAOYSA-N 275.311 2.625 30 40 CFEB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 16641866 ZWPNOVDUMPRILO-CHWSQXEVSA-N 272.348 2.584 30 40 CFEB N#C[C@H](COC(=O)C1=COCCC1)Cc1cccs1 89302226 BRMXIHKCGPVFEB-LLVKDONJSA-N 277.345 2.668 30 40 CFEB CCCn1nc(C)cc1NC(=O)c1ccc(C#N)cc1 32609920 HHMWDMABLQRMPW-UHFFFAOYSA-N 268.320 2.726 30 40 CFEB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)c(C#N)c1 225791349 MVDBEDMCTSKPMB-OAHLLOKOSA-N 276.336 2.711 30 40 CFEB CC(C)(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 96491239 JHPOIQZLAZYLAT-OLZOCXBDSA-N 292.766 2.836 30 40 CFEB CN1C(=O)/C(=N\c2ccc(F)cc2)c2ccccc21 100260101 LACZDSOABGNDFU-VKAVYKQESA-N 254.264 2.923 30 40 CFEB CC(C)Cn1c(SCC#N)nnc1-c1ccco1 78883448 KAEOGAQCYPOJNC-UHFFFAOYSA-N 262.338 2.810 30 40 CFEB Cc1cccc(SCc2cc(O)n3ncc(C#N)c3n2)c1 58249478 OQDYMCLNXHYQPL-UHFFFAOYSA-N 296.355 2.907 30 40 CFEB COc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1C(=O)O 100287197 CIIYGZIANKFYRU-RQZCQDPDSA-N 299.282 2.842 30 40 CFEB CC(=O)c1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1 2561769 SAOYVJZJQFAFHQ-VLGSPTGOSA-N 278.311 2.986 30 40 CFEB Cc1ccc(-c2nn(CCC#N)cc2/C=C/C(=O)O)cc1 3355962 NAZMHZNZTLOWII-BQYQJAHWSA-N 281.315 2.870 30 40 CFEB CCOC(=O)c1cnc2c(C#N)cccc2c1S 62719773 AEEBCJDKCZKGHF-UHFFFAOYSA-N 258.302 2.572 30 40 CFEB C=CCn1c([C@H](C)NC(=O)c2cccs2)n[nH]c1=S 6556174 NSEYUDBAPWGUMK-QMMMGPOBSA-N 294.405 2.679 30 40 CFEB CC(C)(CCC#N)CN[C@H]1CCN(c2ncccc2F)C1 95990146 HZGBQRKYAZAWLH-ZDUSSCGKSA-N 290.386 2.719 30 40 CFEB O=S(=O)(CCc1ccccc1)/N=C(\O)c1cccs1 75126270 NAPBTRWFHUBFQB-UHFFFAOYSA-N 295.385 2.625 30 40 CFEB COCc1cc(C)nc(Oc2ccc(C(=O)O)cc2)c1C#N 3849483 VMUALKHDGVKONP-UHFFFAOYSA-N 298.298 2.899 30 40 CFEB biogenic COc1ccc(C(=O)/C=C/Nc2ccncc2)cc1 32100077 XNPSLCZDUYLFPO-DHZHZOJOSA-N 254.289 2.899 30 40 CFEB O=C1Nc2c(F)cc(F)cc2/C1=N/Nc1ccccc1 223750506 PNGWSHLHDLNXBC-UHFFFAOYSA-N 273.242 2.733 30 40 CFEB O=C(Nc1ccccc1)[C@@]12C[C@H]1C(=NO)c1ccccc1O2 299888330 FPXPIEZPAXSELW-SUMWQHHRSA-N 294.310 2.655 30 40 CFEB COc1ccc(C(=O)Nc2ccccc2C#N)c(OC)c1 19425862 RIFSSFGQAUDCAS-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB COS(=O)(=O)c1ccc(Cl)c2ccccc12 1676408 REGZMWKQNLHMQX-UHFFFAOYSA-N 256.710 2.828 30 40 CFEB COc1ccc(NC(=O)c2ccc(C#N)cc2)cc1OC 3565546 OSUUXMGHPCMDQZ-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C#N)cc1 3223342 FFQKHTCXCMRKBE-SWLSCSKDSA-N 272.348 2.632 30 40 CFEB C[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1 8010851 WFJJJXWCKOLYTH-LBPRGKRZSA-N 268.316 2.902 30 40 CFEB CNc1nnc(SCc2cc(C#N)ccc2F)s1 8982132 IVSIFQILOHQPFJ-UHFFFAOYSA-N 280.353 2.883 30 40 CFEB NC1=C(c2ccccc2)C(=O)[C@H]2CCc3ccccc3N12 101504196 GWKBAVPKPICPGO-OAHLLOKOSA-N 276.339 2.718 30 40 CFEB C[C@H]1CCc2c(sc(N3CCCC3=O)c2C#N)C1 143011 KWZIUPIGQMMDKM-VIFPVBQESA-N 260.362 2.871 30 40 CFEB CCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N 1871030 WPRYIQPZFHYWSD-UHFFFAOYSA-N 287.388 2.608 30 40 CFEB C#CCCCCCCCCC(=O)N1CCOCC1 2301492 YJIHUQCMVXQUMX-UHFFFAOYSA-N 251.370 2.599 30 40 CFEB O=C(NOC(=O)c1ccccc1Cl)c1cccs1 3230850 QYTWRDALSSRJEQ-UHFFFAOYSA-N 281.720 2.903 30 40 CFEB Cc1nc2c(C#N)c(C)nn2c(O)c1Cc1ccccc1 5730195 IROKBJYKSAYTQQ-UHFFFAOYSA-N 278.315 2.514 30 40 CFEB CCCn1cc(NCc2ccc(OC)c(C#N)c2)cn1 90191965 OAPLHJRBMTTXAY-UHFFFAOYSA-N 270.336 2.785 30 40 CFEB CC(C)N(CCC#N)C(=O)c1cc(=O)c2ccccc2o1 69484544 IRBZTVPQMWFBBH-UHFFFAOYSA-N 284.315 2.557 30 40 CFEB N#CC1(NC(=O)c2cc3ccccc3o2)CCSCC1 95975155 XUFYCUJZZBNVSG-UHFFFAOYSA-N 286.356 2.952 30 40 CFEB N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1C#N 76019087 ZOJQWRHXGPVQBL-LLVKDONJSA-N 251.289 2.725 30 40 CFEB C=CCNc1nc(-c2cnn(C)c2C)cc(C(F)(F)F)n1 36613745 GZWJVYJUISJGLG-UHFFFAOYSA-N 297.284 2.802 30 40 CFEB CCn1nc(OCc2cc(C)ccc2C)c(C#N)c1N 225830221 JLWJTUUIGMZSPW-UHFFFAOYSA-N 270.336 2.553 30 40 CFEB C=C[C@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 229987377 JBTQEJHRGJHHHA-CQOGHXNDSA-N 264.365 2.969 30 40 CFEB biogenic C[C@@H](N[C@@H](CO)c1ccco1)c1ccc(C#N)cc1 96493426 QTOKZPKZDHQKIB-RISCZKNCSA-N 256.305 2.535 30 40 CFEB O=C(NC[C@@H]1CO1)c1cccc(Oc2ccccc2)c1 95097045 DIHKTJHNIZFDPX-OAHLLOKOSA-N 269.300 2.608 30 40 CFEB COc1cccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c1OC 95095960 SWJSSHNPBVAHQW-PRHODGIISA-N 292.253 2.723 30 40 CFEB C[C@@H](CN(C)C)C(=O)/C=C/c1ccc(F)c(F)c1 1611366 KCCPYEKUXVMZAM-STUBTGCMSA-N 253.292 2.745 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=C/C1=N\O 1674961 DZFUMKYXWIWTMJ-WWAXLTLISA-N 261.321 2.681 30 40 CFEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1O 32615099 RXUJTKLTXNXKKM-UHFFFAOYSA-N 266.300 2.536 30 40 CFEB C[C@@H](CC#N)NC(=O)[C@@H](C)CCc1ccccc1F 79813242 BZJPCWYCBIPSET-RYUDHWBXSA-N 262.328 2.813 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)CSc1ccccc1 58277606 KDLJXJVPDRGGDH-GFCCVEGCSA-N 262.378 2.787 30 40 CFEB CCOc1ccc(CCC(=O)N(CC#N)C2CC2)cc1 58294606 OQQCNTPDRWFBPI-UHFFFAOYSA-N 272.348 2.532 30 40 CFEB Cc1nc2ccccc2nc1[C@@H](C#N)C(=O)OC(C)(C)C 12760880 XBZWYSZANLFTKY-LLVKDONJSA-N 283.331 2.887 30 40 CFEB CCCCNC(=S)N/N=C/c1ccc(C)s1 13468750 KTTCNFLLFVISRU-MDWZMJQESA-N 255.412 2.655 30 40 CFEB COc1ccccc1/C=N/Nc1cncc(Cl)n1 5514980 MSRUDCUGDDOKIT-GIDUJCDVSA-N 262.700 2.585 30 40 CFEB COc1cccc([C@H](C#N)NC(=O)OC(C)(C)C)c1 22115953 HFVMGFMSFPRKRS-LBPRGKRZSA-N 262.309 2.785 30 40 CFEB N#Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 16471686 CEHFVPQKPFZLHC-MRXNPFEDSA-N 262.312 2.976 30 40 CFEB C#Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)c1 63850406 IPTKRYLWHKAHBM-OAHLLOKOSA-N 290.322 2.732 30 40 CFEB CCC[C@H](C#N)NC(=O)CCCOc1cccc(F)c1 69421409 WHEJTSFVUVIWEW-CYBMUJFWSA-N 278.327 2.793 30 40 CFEB CN(C)c1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1 95096023 GQPXTMIGBKTRCF-NEPJUHHUSA-N 275.270 2.771 30 40 CFEB N#Cc1ncn(Cc2csc(-c3ccsc3)n2)c1C#N 97379845 FQSHHSYNFWIUQQ-UHFFFAOYSA-N 297.368 2.860 30 40 CFEB C=C(N/N=C/c1cc(OC)ccc1OC)c1ccc(N)cc1 45756 PWNLDOGIXAOJQI-YBFXNURJSA-N 297.358 2.880 30 40 CFEB C=CCNC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1 28876710 DALKWIXBDBSDSN-SECBINFHSA-N 275.377 2.707 30 40 CFEB NC(=S)N/N=C1\CCCC\C1=C/c1ccccc1 8653102 FPXMOZPLGOOXJA-XBKMVRDJSA-N 259.378 2.833 30 40 CFEB biogenic CO/N=C(/C(=O)OC)c1ccccc1COC(C)(C)C 1857793151 VDWUYAAFIHEQBW-DTQAZKPQSA-N 279.336 2.525 30 40 CFEB Cc1cc2cc(C#N)c(N3CCOCC3)nc2cc1Cl 421823 BMFWGOGOOXOFMJ-UHFFFAOYSA-N 287.750 2.905 30 40 CFEB Cc1cccc(OCC(=O)Nc2sccc2C#N)c1 3288829 KLAGMDVJJVBHFI-UHFFFAOYSA-N 272.329 2.946 30 40 CFEB C#Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 12928815 BIKCBPGUPCJBBP-UHFFFAOYSA-N 281.311 2.937 30 40 CFEB O/C(=N\c1nncs1)[C@H]1CCCN1Cc1ccccc1 49478596 DGBYWHCIYHHYGF-GFCCVEGCSA-N 288.376 2.791 30 40 CFEB C/C(NC(=O)Cc1ccccc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 5816520 XDLMQWRANBAVGO-GBXVVTRASA-N 283.371 2.864 30 40 CFEB biogenic CCC[C@H](C)c1cc(NC(=O)c2ccc(C#N)cn2)[nH]n1 96440783 PTXUFAMOURVOFR-JTQLQIEISA-N 283.335 2.832 30 40 CFEB C[S@](=O)c1ccccc1C(=O)OCc1ccc(C#N)cc1 8490448 XASQZMMOMLTSKL-OAQYLSRUSA-N 299.351 2.653 30 40 CFEB Cc1ccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CCC2)s1 95393907 QIPNGKLUQPKYQV-GHMZBOCLSA-N 260.362 2.723 30 40 CFEB CCOc1cc(C)c(/C=N/n2cnnc2)cc1C(C)C 408846770 KWMOWPNIRZYAOV-QGMBQPNBSA-N 272.352 2.991 30 40 CFEB CCCCc1nn(Cc2ccc(F)cc2)c(N)c1C#N 225842411 MBWWIEPKUQBZOI-UHFFFAOYSA-N 272.327 2.867 30 40 CFEB COCc1ccccc1C(=O)[C@H](C#N)c1ccc(F)cn1 80435389 BTDHJFXDOAOHFC-CQSZACIVSA-N 284.290 2.857 30 40 CFEB C=CCNC(=O)c1snnc1-c1ccc(Cl)cc1 225768672 ADGUZGHCBWXGIH-UHFFFAOYSA-N 279.752 2.774 30 40 CFEB C=CCSc1nnc2n(CC)c3ccccc3n12 575410938 SFZRWJZFICCDQH-UHFFFAOYSA-N 258.350 2.982 30 40 CFEB CCCn1cc(CNc2ccc(CC#N)cc2)cn1 95940044 WKBVUYHCVWFVST-UHFFFAOYSA-N 254.337 2.971 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2ccccc2)cc1 5868551 VOFBBJOJGOVOFK-UHFFFAOYSA-N 252.273 2.576 30 40 CFEB C=CCC1(CC=C)CCN1C(=O)c1cnc(SC)nc1 13996409 BHMRFDXDKVLCBE-UHFFFAOYSA-N 289.404 2.935 30 40 CFEB CC1=NOC(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 16161098 SQIIRILPLFJRCE-YWEYNIOJSA-N 266.640 2.564 30 40 CFEB CCOC(=O)/C(=C/c1ccc(Br)cc1)C(C)=O 1625098 XKZMBCNYDBPYID-XYOKQWHBSA-N 297.148 2.985 30 40 CFEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1cccs1 20834462 VKAFEQJFRCYURW-RLYUOEPHSA-N 280.393 2.794 30 40 CFEB C=CCn1c(-c2nonc2NC(=O)CC)nc2ccccc21 331094 LXUBLVMYBYJFHC-UHFFFAOYSA-N 297.318 2.621 30 40 CFEB N#C[C@H](C(=O)NC1CC1)C(=O)c1cc2ccccc2s1 103504770 JBNCKSMYSVOXJN-NSHDSACASA-N 284.340 2.502 30 40 CFEB CO[C@H](C)c1cccc(N[C@@H](C)C(=O)N(C)CCC#N)c1 79030519 DKXPMYZHKQGPQD-QWHCGFSZSA-N 289.379 2.566 30 40 CFEB C#CCC[C@H](CC)OC(=O)c1ccc2c(c1)OCO2 79111820 SNJFEXSHMMIRDB-LBPRGKRZSA-N 260.289 2.764 30 40 CFEB N#Cc1ccc(CNc2ccccc2-n2cncn2)cc1 26784828 BZTQMIODDRHZGP-UHFFFAOYSA-N 275.315 2.751 30 40 CFEB N#Cc1cc(Br)c(Br)cc1N 12112952 VUCBAIGHIYTQHW-UHFFFAOYSA-N 275.931 2.665 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118783 DQHCKOGYSNJLMJ-OVCLIPMQSA-N 279.683 2.965 30 40 CFEB C[C@@H](O)CCN(C)c1ccc(Br)cc1C#N 96008486 MXACLMAXKXGPSE-SECBINFHSA-N 283.169 2.528 30 40 CFEB CCn1ncc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1C 6490031 KSMPWTJTTFLEPA-XQRVVYSFSA-N 284.315 2.836 30 40 CFEB C=CC[C@H](NCCCN1CCOCC1)c1ccccc1F 6856208 SRRJCKRYVAEWDA-KRWDZBQOSA-N 292.398 2.755 30 40 CFEB CCCn1cc(/C=C/C(=O)c2cccc(O)c2)cn1 71785155 UDYJDQJLFOJNAT-VOTSOKGWSA-N 256.305 2.895 30 40 CFEB C=CCCc1csc([C@@H]2CCCN(C(C)=O)C2)n1 90065626 GNHMTHLLJHZVIU-GFCCVEGCSA-N 264.394 2.988 30 40 CFEB N#CC1(C(=O)NCCc2ccc3c(c2)CCO3)CCCCC1 74626659 XREWCLABTPVKIC-UHFFFAOYSA-N 298.386 2.754 30 40 CFEB C=CCN1C(=O)N/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 409125142 CIPUBMYVDXNEJI-DHZHZOJOSA-N 296.248 2.784 30 40 CFEB CC(C)(C)n1nc(OCc2ccc(F)cc2)c(C#N)c1N 225835510 ZTVOLGHVEXDOFC-UHFFFAOYSA-N 288.326 2.810 30 40 CFEB CCc1nc(SCC(=O)OC)c(C#N)c2c1CCCC2 85565040 VNBXEBDUEKQURT-UHFFFAOYSA-N 290.388 2.660 30 40 CFEB C=CCN1CCN(C(=O)c2ccoc2C)Cc2cccnc21 96060957 LJBGRFRKHMPTQS-UHFFFAOYSA-N 297.358 2.631 30 40 CFEB CN(Cc1ccccc1)c1nn(-c2ccccc2)nc1C#N 256046567 GSGYAUQGMIUQQS-UHFFFAOYSA-N 289.342 2.775 30 40 CFEB C=CCCC(=O)NCC1(OC)C2CC3CC(C2)CC1C3 96393318 QNELOKDRRHSUJG-UHFFFAOYSA-N 277.408 2.910 30 40 CFEB CCN/C(S)=N/N=C/c1ccc(N(CC)CC)cc1 5736658 SCFIGDPMUJSRMC-LFIBNONCSA-N 278.425 2.762 30 40 CFEB CCCCCCNC(=N)N/C(N)=N\c1ccc(Cl)cc1 5782449 SVTOENGNWAMDOJ-UHFFFAOYSA-N 295.818 2.980 30 40 CFEB in-vitro CCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl 11692170 GIEKXWDOKOJNLE-VIFPVBQESA-N 289.722 2.844 30 40 CFEB N#CC1(C(=O)N2CCO[C@H](c3ccccc3)C2)CCCC1 29825201 GNRRSWFRNKIQHC-HNNXBMFYSA-N 284.359 2.670 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1O 72311416 NIGHYPDSMXHSJE-MRVPVSSYSA-N 289.253 2.941 30 40 CFEB C=CCn1nnnc1NCc1ccc(C(C)C)cc1 7009381 XRJGBCCFHXCXAA-UHFFFAOYSA-N 257.341 2.595 30 40 CFEB C=CCNC(=O)C1=Cc2cc(Cl)ccc2OC=C1 19809838 OPOCNZXXSWFBBD-UHFFFAOYSA-N 261.708 2.932 30 40 CFEB Cc1ccc(NC(=O)CN(C)Cc2cccc(C#N)c2)cc1 7490748 NDASUAXBDPZXFT-UHFFFAOYSA-N 293.370 2.937 30 40 CFEB Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C#N)c2ccsc2)n1 71847760 CCPKWPMFYVNBGL-WCQYABFASA-N 288.376 2.504 30 40 CFEB C=CCNC(=O)Nc1cccc(OC(F)F)c1C 71854975 MODTWRVICBKACD-UHFFFAOYSA-N 256.252 2.904 30 40 CFEB Cc1cc(C)n([C@@H](C)C(=O)N(CCC#N)CCC(C)C)n1 69979990 AJHPALRUXXRAOW-HNNXBMFYSA-N 290.411 2.849 30 40 CFEB Cc1cc(S(=O)(=O)/N=C(\O)CC(C)C)c(C)o1 97035244 IDYXKKKGZLLQRY-UHFFFAOYSA-N 259.327 2.588 30 40 CFEB Cn1ncc2c1CC/C(=C\c1cccc(F)c1)C2=O 98054782 BHTIOIOCDLGDOI-YRNVUSSQSA-N 256.280 2.772 30 40 CFEB O=C(O)[C@H](Cc1ccccc1)/N=C/c1ccc(O)cc1 2032096 AVABFWMEVHDXDS-VUVCFOEZSA-N 269.300 2.507 30 40 CFEB CN1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1 5162718 FBPUSSTVPCEHJZ-XDJHFCHBSA-N 279.387 2.935 30 40 CFEB N#Cc1ccc(COc2ccccc2C(=O)O)cc1 13080131 ZEGMNXYYQCCMMX-UHFFFAOYSA-N 253.257 2.835 30 40 CFEB C#CCN[C@H](C)c1cccc(I)c1 1848350242 JYOHSCDEADXTRR-SECBINFHSA-N 285.128 2.575 30 40 CFEB CCc1ccc(C(=O)/C=C\[n+]2ccc(N(C)C)cc2)cc1 33374005 IBDLFBASDFVIHV-KAMYIIQDSA-N 281.379 2.956 30 40 CFEB N#Cc1ccsc1NC(=O)[C@H]1COc2ccccc2C1 12938268 VDHNYUZVYYNYRG-GFCCVEGCSA-N 284.340 2.810 30 40 CFEB C=CCN1CCO[C@@H]2CCN(CC(CC)CC)CC[C@@H]21 2055730077 XJZFKBQXMYNSRI-DLBZAZTESA-N 280.456 2.774 30 40 CFEB FC1(F)C(F)(F)C(F)(F)[C@@]2(F)O[C@@]2(F)C1(F)F 103545323 ZWSICHXNVFXDHH-OLQVQODUSA-N 278.045 2.903 30 40 CFEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 147703 AMPZBUYYGVXMDR-HNNXBMFYSA-N 298.346 2.555 30 40 CFEB N#CCn1c(Cc2ccccc2)nc2ccccc2c1=O 1371533 QYVKRNFFKXKDCI-UHFFFAOYSA-N 275.311 2.511 30 40 CFEB O=C(O)c1ccccc1/N=C/c1ccc2c(c1)OCO2 1598372 RHCLXWLKFSMOBQ-LZYBPNLTSA-N 269.256 2.864 30 40 CFEB COCCNc1oc(-c2ccc(C)cc2)nc1C#N 1792960 JWWHBLZMDASIOB-UHFFFAOYSA-N 257.293 2.580 30 40 CFEB CC[C@H]1S/C(=N/N=C\c2ccc(Cl)cc2)NC1=O 9189489 HQLGCHOOQWLIJP-QOUOVQQFSA-N 281.768 2.672 30 40 CFEB C[C@@H](C(=O)N1CCCCCC1)N(C)Cc1cccc(C#N)c1 26328156 WWYQGLWEUCWIHJ-HNNXBMFYSA-N 299.418 2.781 30 40 CFEB COC(=O)[C@H](Sc1ccccn1)c1ccc(C#N)cc1 72295924 DDGNVUPLTIKOSO-CQSZACIVSA-N 284.340 2.960 30 40 CFEB C=CCc1cc(CNC(C)(C)CO)cc(OC)c1OCC 13731152 KYPDOMYWLQMVPY-UHFFFAOYSA-N 293.407 2.683 30 40 CFEB C=CCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 65487583 IFUKKPJOLWDARI-NSHDSACASA-N 266.410 3.000 30 40 CFEB N#Cc1ncn(-c2nc(-c3ccccc3)c3ccccc3n2)n1 14184050 VJLMJFYDRNOJDX-UHFFFAOYSA-N 298.309 2.749 30 40 CFEB Cc1ccc(N/N=C(\C#N)c2nnc3n2CCCCC3)cc1 5446985 GCFYHIBFHKAVSY-XMHGGMMESA-N 294.362 2.653 30 40 CFEB Cc1cc(Cl)ccc1OCC(=O)NC1(C#N)CCCC1 6879550 BFMMDZZYKKVNJM-UHFFFAOYSA-N 292.766 2.980 30 40 CFEB Cc1nc(C)c(C(=O)OCc2ccccc2C#N)s1 7006994 PRGISNNXNBQFJL-UHFFFAOYSA-N 272.329 2.989 30 40 CFEB COc1ccc(C(=O)OCc2ccc(C#N)cc2)c(O)c1 7396711 QPOMBDLHMSYTSC-UHFFFAOYSA-N 283.283 2.629 30 40 CFEB CCCN(CC#N)C(=O)CSc1cccc(OC)c1 71853487 RJHCFLWJIACKLR-UHFFFAOYSA-N 278.377 2.549 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccccc1F)c1c(O)n[nH]c1N2 18195855 GIKVMMVBJURRTP-LBPRGKRZSA-N 299.305 2.819 30 40 CFEB C=CCO[C@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 78442114 MPVWVXXODPQMBB-GHMZBOCLSA-N 270.288 2.595 30 40 CFEB N#Cc1cccc(Cn2ccc(-c3ccncc3)n2)c1 216694995 VMYPUUJMRILDOT-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB COc1cc(/C=C\C(=O)c2ccc(O)cc2O)ccc1O 34602673 BWFSBUVPIAIXKJ-KXFIGUGUSA-N 286.283 2.708 30 40 CFEB O=C1Oc2ccccc2C(=O)/C1=C/N1CCc2ccccc21 31830540 TXPZPBCBKCLAIO-KAMYIIQDSA-N 291.306 2.735 30 40 CFEB CS(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 89484352 MFCBFMWVZSMXIP-UHFFFAOYSA-N 271.341 2.770 30 40 CFEB Cc1c(C(=O)[C@H](C#N)c2ccc(F)cn2)cccc1[N+](=O)[O-] 80437265 XTHWILICXLQXOG-GFCCVEGCSA-N 299.261 2.927 30 40 CFEB CC(C)c1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)cc1 95663265 ZHLVWJBWGFSMFF-APSNUPSMSA-N 290.754 2.993 30 40 CFEB N#Cc1sc(=S)n(-c2ccc(F)cc2)c1N 13547300 DROPPWYRAKIVBP-UHFFFAOYSA-N 251.311 2.861 30 40 CFEB C#CCCCCCCCC/C=C/C[C@@H](O)C[C@@H](O)CO 225410216 YPRUUOUDKJWVMW-CSLLIFPHSA-N 282.424 2.791 30 40 CFEB biogenic,in-vitro CCN(C(=O)COc1ccc(C#N)cc1Cl)C1CC1 40090160 WYPOWEJDUVRQMS-UHFFFAOYSA-N 278.739 2.601 30 40 CFEB N#Cc1cnn2c1N=C1CCCC(O)=C1[C@@H]2c1cccnc1 102841234 IWBCACFOCSVBOP-HNNXBMFYSA-N 291.314 2.821 30 40 CFEB COc1ccc(NC(=O)C[n+]2csc3ccccc32)cc1 23115178 BPBCVXWZFAINBD-UHFFFAOYSA-O 299.375 2.836 30 40 CFEB C=CCN(CC=C)C(=O)c1ccc(OC)cc1OC 29898 MUMCDCGKWNIAFM-UHFFFAOYSA-N 261.321 2.518 30 40 CFEB C#CCOc1ccccc1[C@@H](C)OC(=O)C1CCOCC1 78612919 VXRQAVIYFZYBGA-CYBMUJFWSA-N 288.343 2.729 30 40 CFEB C=CCSc1nn2c(=O)c3ccccc3nc2s1 2190423 JVMACGIFNFEHBA-UHFFFAOYSA-N 275.358 2.582 30 40 CFEB C=CCNC(=O)N1CCC[C@@H]1Cc1ccc(OC)cc1 48844440 BSVHBJLFPMLNSH-CQSZACIVSA-N 274.364 2.598 30 40 CFEB O=C(/C=C/c1cccnc1)c1cc([N+](=O)[O-])ccc1O 49574150 BMNRKMCYYKJHBM-HWKANZROSA-N 270.244 2.592 30 40 CFEB N#Cc1ccccc1OCC(=O)OCc1cccc(F)c1 8142270 KTXJOZZWNZWNJV-UHFFFAOYSA-N 285.274 2.820 30 40 CFEB Cc1cnn(C[C@H]2CCCN2c2cccc(F)c2C#N)c1 70005566 RCJJQVQEFWTWCF-CYBMUJFWSA-N 284.338 2.871 30 40 CFEB C=CCN1C(=O)/C(=C\c2ccoc2)SC1=S 16989169 CBGRZENKZSVFNY-RMKNXTFCSA-N 251.332 2.667 30 40 CFEB COc1ccccc1C[C@@H](C)CC(=O)NC1(C#N)CCC1 71884607 CXDMAZBOWRFXET-CYBMUJFWSA-N 286.375 2.826 30 40 CFEB Cc1ccc(CC(=O)N(CCC#N)Cc2ccccn2)cc1 69738748 KWGLQWOGHRZAIU-UHFFFAOYSA-N 293.370 2.875 30 40 CFEB C=C(Br)CNC(=O)c1ccc2[nH]ccc2c1 69895966 AOXGNFDLELAKAY-UHFFFAOYSA-N 279.137 2.806 30 40 CFEB CCn1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C 409069822 ANMSAAVSGZVNLY-LZYBPNLTSA-N 287.323 2.874 30 40 CFEB COC(=O)c1ccc(Cn2cc(C=NO)c3ccccc32)o1 409393627 RMGFISHGSQGFMZ-UHFFFAOYSA-N 298.298 2.877 30 40 CFEB CC#CCSc1nnc(Cc2cccc(F)c2)o1 95961149 POUZLSRFWDMORF-UHFFFAOYSA-N 262.309 2.915 30 40 CFEB C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](C#N)C(C)(C)C 75105575 VIDVOJKMZSIJMZ-AGIUHOORSA-N 266.385 2.636 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)O[C@H](C)C1 69615858 SCRFLJAYZLPFCG-TXEJJXNPSA-N 273.336 2.508 30 40 CFEB Cc1ccc(C2CC(=O)C(=C3NCCS3)C(=O)C2)cc1 20800916 UBKHKAIPBQORMM-UHFFFAOYSA-N 287.384 2.559 30 40 CFEB N#Cc1c(F)cccc1NCCCOC[C@H]1CCOC1 77229853 LPPPWQWAPCZOGI-GFCCVEGCSA-N 278.327 2.552 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 96450047 GKCBHCBNTWLCGZ-GHMZBOCLSA-N 268.272 2.599 30 40 CFEB CCc1nc(CC/N=C(/N)Nc2ccc(C)cc2)cs1 72272549 BJBUEWNFUKSJCC-UHFFFAOYSA-N 288.420 2.983 30 40 CFEB C#C[C@@H]1CCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 1772714623 WBMMCZIDRMYVQL-MFKMUULPSA-N 259.261 2.554 30 40 CFEB O=C1C2=CNc3ccccc3O[C@H]2Oc2ccccc21 16524313 YTGATNRSWPGJJV-MRXNPFEDSA-N 265.268 2.976 30 40 CFEB COc1ccc(N/N=C2/C=CC(=O)c3ncccc32)cc1 100364276 LIZZANYNZSPHBV-RGEXLXHISA-N 279.299 2.659 30 40 CFEB CCc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)o1 25117277 YLJUEZFDPPZWKP-UHFFFAOYSA-N 268.316 2.986 30 40 CFEB N#Cc1ccccc1CN1CCC(CN2CCCC2)CC1 47969308 YZCWWLDQVMHAFI-UHFFFAOYSA-N 283.419 2.866 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1 4104785 FXKCXGBBUBCRPU-GBOPCIDUSA-N 252.354 2.985 30 40 CFEB biogenic,in-vitro CN(C)/C(N)=N/CCCOc1ccc(Cl)cc1Cl 170911553 DZWMYTPYBNMANH-UHFFFAOYSA-N 290.194 2.639 30 40 CFEB CCO/C=N/c1c(C#N)c(C)nn1Cc1ccccc1 39964246 CLKHGUWBOIEALO-GZTJUZNOSA-N 268.320 2.808 30 40 CFEB N#C[C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 225633567 JCXCBCVQHKJEEG-ARFHVFGLSA-N 283.352 2.766 30 40 CFEB CC(C)(C)[C@@H](CO)NC(=O)Nc1ccc(C#N)c(Cl)c1 195557306 MXAVDOSCYGFUFO-GFCCVEGCSA-N 295.770 2.740 30 40 CFEB C=CC1CCN(Cc2ccc([S@@](C)=O)cc2)CC1 93359323 LLGCKKTZGHEJKH-SFHVURJKSA-N 263.406 2.822 30 40 CFEB C=CCN1CCC[C@]12CCCN(Cc1c(C)noc1C)C2 96071460 IBURBGPTAPUWCJ-KRWDZBQOSA-N 289.423 2.908 30 40 CFEB C=CCCC(=O)NC[C@H](c1ccsc1)n1cccn1 618255334 BBRCAKATVRSHRT-CYBMUJFWSA-N 275.377 2.616 30 40 CFEB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1 2298048413 FMAAXWKYQRMEQO-CQSZACIVSA-N 285.391 2.689 30 40 CFEB CC(C)(C)N1C(=O)[C@](Cl)(C#N)[C@@H]1c1ccccc1 1588406 IUUXVIAQAHVDPJ-FZMZJTMJSA-N 262.740 2.870 30 40 CFEB Cc1cccc(C(=O)Nc2ccc([S@@](C)=O)c(C#N)c2)c1 3104736 WSNIAMVZFZUODV-NRFANRHFSA-N 298.367 2.856 30 40 CFEB N#CCCN(CC1CC1)C(=O)c1cc(Cl)ccn1 72270989 RWSHFPUJSNMECD-UHFFFAOYSA-N 263.728 2.501 30 40 CFEB C[C@@H]1c2ccc(C#N)n2CCN1C(=O)OC(C)(C)C 20282623 HWUUOZDDKFLWBL-SNVBAGLBSA-N 261.325 2.671 30 40 CFEB C=CCn1nc(/C=C/c2ccc(C)cc2)ccc1=O 4041598 ICRALOOKCJTBAZ-CMDGGOBGSA-N 252.317 2.908 30 40 CFEB N#CC1(NC(=O)c2ccc(F)c(COCC3CC3)c2)CC1 80304462 RRMWWEXMEUIGIE-UHFFFAOYSA-N 288.322 2.538 30 40 CFEB Cc1cc(C)nc(N/N=C\c2ccc(N3CCCC3)o2)n1 408853523 PBDAGIVMWJBTOX-YBEGLDIGSA-N 285.351 2.733 30 40 CFEB Cc1cnn([C@H](C)[C@H](C)NCc2cccc(C#N)c2)c1 69486214 HTDSIMYRGDOSKT-UONOGXRCSA-N 268.364 2.803 30 40 CFEB C/C(=N\Nc1c(F)c(F)nc(F)c1F)c1ccncc1 8403257 YRJDPWYABQQARV-KPSZGOFPSA-N 284.216 2.869 30 40 CFEB CCC[C@@H]1O[C@@]23CCCC[C@H]2[C@](C#N)(C(=N)O3)C1(C#N)C#N 4546033 QSYAOBUMIKSMLP-YXAMBPQSSA-N 298.346 2.623 30 40 CFEB C#CC[C@H](OC(=O)c1ccc(NC(C)=O)cc1)C1CC1 79211566 XPPHLZYWJFGVRA-HNNXBMFYSA-N 271.316 2.604 30 40 CFEB Fc1cccc(F)c1[C@H](OC[C@H]1CO1)C(F)(F)F 95096091 KYGKBQSQFJSEJK-LDWIPMOCSA-N 268.181 2.984 30 40 CFEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccccc1 96532116 YLPBIZASBRUWIE-UHFFFAOYSA-N 292.385 2.663 30 40 CFEB Cc1ccc(OCc2cccc(C#N)c2)c([N+](=O)[O-])n1 5970097 NAPVYYSDWFIXDY-UHFFFAOYSA-N 269.260 2.749 30 40 CFEB CC1(C)OB(c2ccc(F)c3ccoc23)OC1(C)C 255968664 DCQLPRWDZHBWAT-UHFFFAOYSA-N 262.089 2.871 30 40 CFEB in-vitro CC/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1CC 100899672 MCDUIOZNARXAJM-UXIXBDGISA-N 276.361 2.704 30 40 CFEB N#Cc1ccc(N[C@@H]2CCOc3ccccc32)nc1 52076663 APRPINFXOFCFOT-CYBMUJFWSA-N 251.289 2.889 30 40 CFEB N#Cc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 573015 VFOGSVYSFYZMPO-GDNBJRDFSA-N 289.294 2.656 30 40 CFEB CN(CC(=O)[C@H](C#N)c1ccccc1)c1ccccc1 1680308 DZBBLJWSVLNSSO-MRXNPFEDSA-N 264.328 2.999 30 40 CFEB N#CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 58282908 MXHITFPERWNTAA-UHFFFAOYSA-N 284.237 2.713 30 40 CFEB CCOc1cc(C(=O)CC#N)cc(OCC)c1OCC 2579815 UUEPGPLDFRLKFS-UHFFFAOYSA-N 277.320 2.979 30 40 CFEB N#Cc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 3316558 VGOJJOPMMWOULC-UHFFFAOYSA-N 283.258 2.737 30 40 CFEB C[C@@H](C#N)CN(C)Cc1nc2cc(Cl)ccc2n1C 49001406 GRGHRXXYWIXTPE-JTQLQIEISA-N 276.771 2.818 30 40 CFEB CN(C(=O)Cc1ccc2c(c1)CCC2)C1(C#N)CCC1 49314152 PYMKBUGEHRYGCF-UHFFFAOYSA-N 268.360 2.622 30 40 CFEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1 5442941 UYTSSDZHKRVIIQ-OAHLLOKOSA-N 280.331 2.609 30 40 CFEB COC(=O)c1ccc(/C=N/Nc2cccc(C(=O)O)c2)cc1 6579517 HUDJKLVMXGJZEQ-LICLKQGHSA-N 298.298 2.617 30 40 CFEB CC(C)(C)NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1 67347741 KAIYZRRHXGJKRZ-UHFFFAOYSA-N 299.296 2.904 30 40 CFEB Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(F)c1 7428170 PLKFTBYCUWJXOO-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@H]1C1CC1 89794160 PNHMEXVQIUCVCF-PWSUYJOCSA-N 297.280 2.951 30 40 CFEB CCc1c(Br)cc(C#N)n1CCCOC 225306014 VRYJMCGQSNGRBZ-UHFFFAOYSA-N 271.158 2.721 30 40 CFEB CC1(C)OB(c2ccc(C(F)(F)F)cc2N)OC1(C)C 198214077 SKIXIDYMMJBOTF-UHFFFAOYSA-N 287.090 2.587 30 40 CFEB CC[C@@H](C)Sc1nc(N)c(C#N)c(C(C)C)n1 225892243 RGCKFFKFBPCKNG-MRVPVSSYSA-N 250.371 2.944 30 40 CFEB N#Cc1ccnc(NC(=O)OCc2ccccc2)c1 199813933 KFGUKPWUQFAVQR-UHFFFAOYSA-N 253.261 2.702 30 40 CFEB C=CC1CCN(C(=O)CCC(=O)OC(C)(C)C)CC1 192309676 WVGALTWPFHFURS-UHFFFAOYSA-N 267.369 2.533 30 40 CFEB C[C@@H]1CN(C)[C@H](C)C/C1=N\OC(=O)c1ccccc1 13478175 BHUGEYWWNUWAAY-AZNAFKMUSA-N 260.337 2.560 30 40 CFEB COc1cccc(NC(=O)C2=C(O)CC(C)(C)CC2=O)c1 26329858 HJUMCXZHELWBCW-UHFFFAOYSA-N 289.331 2.835 30 40 CFEB COCc1ccc(CNc2ccc(C#N)cn2)cc1 36394735 BCOGKNKMJMIOTD-UHFFFAOYSA-N 253.305 2.712 30 40 CFEB C=CCNC(=O)CSc1nc(C)c(Cl)c(C)c1C#N 4693954 NUIAKCVGWLSXCA-UHFFFAOYSA-N 295.795 2.618 30 40 CFEB COc1ccc(OC)c(CNCc2cccc(C#N)c2)c1 37492145 NLASFJSIJBNQLX-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB N#Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1 12728348 CQRKDIVOBMFPFR-UHFFFAOYSA-N 277.283 2.881 30 40 CFEB N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2 96004099 KCSIQBZFBRKJRP-ZFWWWQNUSA-N 269.348 2.989 30 40 CFEB C=CCOc1ccc(/C=C2/C(=O)ON=C2C)cc1OC 4320994 IQAKNOLFLGGZKH-XYOKQWHBSA-N 273.288 2.576 30 40 CFEB C[C@@](C#N)(NC(=O)CSc1ccc(F)cc1)C1CC1 4564147 NYVJWUJVAOJBRH-AWEZNQCLSA-N 278.352 2.726 30 40 CFEB O=C(O)c1ccc(N/N=C/c2ccccc2O)cc1 5529665 LVRFDKIEKFOQDO-OQLLNIDSSA-N 256.261 2.536 30 40 CFEB C=C(Cl)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 69371636 FTLPTELRLOKSHV-CYBMUJFWSA-N 294.830 2.936 30 40 CFEB COc1ccc(C(=O)[C@H](C#N)c2ccccn2)c(C)c1 76089803 ZPXUIWDVIMHCNH-CQSZACIVSA-N 266.300 2.889 30 40 CFEB CC1(C)CC(=O)c2cc(C#N)c(SCC#N)nc2C1 5705911 FSMHOJHYMFSHBU-UHFFFAOYSA-N 271.345 2.724 30 40 CFEB N#Cc1cccnc1N[C@H]1CCN(Cc2ccccc2)C1 40160630 RJMVNNKRPIZOPB-INIZCTEOSA-N 278.359 2.640 30 40 CFEB CC(C)(C)[C@@H](NCC(=O)NCCC#N)c1ccc(F)cc1 53644149 MFRKOPPEHJYNPA-HNNXBMFYSA-N 291.370 2.532 30 40 CFEB CCOC(=O)[C@H](C#N)[C@@H]1C(C)(C)[C@@H](C(C)C)C1(C#N)C#N 23477891 ZGZPVZDVNPMSIX-JHJVBQTASA-N 287.363 2.651 30 40 CFEB C#CCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 78810627 PRJPPUILOUBMKD-UHFFFAOYSA-N 282.324 2.919 30 40 CFEB C#Cc1cccc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 12522018 PUJUDMRZNNJTAL-XJKSGUPXSA-N 270.376 2.775 30 40 CFEB N#CCN(CC#N)C(=O)Cc1ccc(-c2ccccc2)cc1 57683978 KQRNFQSNPQEWFT-UHFFFAOYSA-N 289.338 2.772 30 40 CFEB O=[N+]([O-])c1ccc2c(cnn2[C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)c1 100971150 OVDPYCAWLMLMMB-DOQLRLLFSA-N 286.291 2.746 30 40 CFEB C[C@@H]1C2=C([C@@H](C)[C@H]3C(=O)C=CC(=O)[C@@H]13)[C@H]1C=C[C@H]2C1 104295380 HOXQAINAQSRQIE-RPQBIEKTSA-N 254.329 2.715 30 40 CFEB N#Cc1cc(N)ccc1N1CCN(c2ccc(F)cc2)CC1 20135194 CFXOEAWJRKUIRM-UHFFFAOYSA-N 296.349 2.606 30 40 CFEB C=CCNc1nc(-c2ccccc2)ncc1C(=O)OCC 4042372 NNJZBCZCRSDRBM-UHFFFAOYSA-N 283.331 2.918 30 40 CFEB Cc1cccc(CSc2ncc(C#N)c(N)n2)c1 7046986 UJKPVZVGRUAPPH-UHFFFAOYSA-N 256.334 2.531 30 40 CFEB N#Cc1cccc(CN(CCO)Cc2ccsc2)c1 69458002 MFMCZOKMVPPHQE-UHFFFAOYSA-N 272.373 2.614 30 40 CFEB CCOc1cccc(C(=O)N[C@H](C#N)CC(C)C)c1 69529587 HRPPWEOXOBWEQV-ZDUSSCGKSA-N 260.337 2.753 30 40 CFEB CC[C@H](C#N)NC(=O)c1cccc(Cn2nc(C)cc2C)c1 69537714 LNHUOUAHMLXLEV-MRXNPFEDSA-N 296.374 2.580 30 40 CFEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1C 408776046 LIZIJXJTDWZPKV-OQLLNIDSSA-N 272.308 2.996 30 40 CFEB C=CCN(C)C(=O)Nc1cc(C)n(-c2ccccc2)n1 195571191 ZOURAAIUICMPBH-UHFFFAOYSA-N 270.336 2.830 30 40 CFEB CO[C@@H]1CCCCC[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] 95414967 LAQXDBVCWZDKMR-VXGBXAGGSA-N 290.323 2.621 30 40 CFEB CN1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1 252549439 RFFAENLKMKGDHP-IRXDYDNUSA-N 278.359 2.811 30 40 CFEB Cc1ccc(OCc2nc(C(=O)OCC#N)cs2)cc1 16159239 GGHIAYSAEWEULZ-UHFFFAOYSA-N 288.328 2.711 30 40 CFEB N#Cc1cccc(N2CCC(c3nnc(C4CC4)o3)CC2)n1 1888854273 SQRAPNRJYKSXHI-UHFFFAOYSA-N 295.346 2.598 30 40 CFEB CN(C)c1ccc(CNc2ccc(C#N)cn2)cc1 24528688 PAYDDHFXISDSTD-UHFFFAOYSA-N 252.321 2.631 30 40 CFEB Cn1ccnc1CC1CCN(c2cccc(F)c2C#N)CC1 105793583 STPNGQNRJXFXAF-UHFFFAOYSA-N 298.365 2.890 30 40 CFEB N#Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 3371887 VQTYKYJPTZOPLV-UHFFFAOYSA-N 286.218 2.825 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cn2)c1 25659929 QVYJVAXXUWTZNH-UHFFFAOYSA-N 292.342 2.806 30 40 CFEB N#C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 1503395 ASDPXUZYZAVZRY-AWEZNQCLSA-N 262.268 2.547 30 40 CFEB CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C#N)c2)c1 36397288 LHFZNNHFWBCLBG-UHFFFAOYSA-N 297.289 2.908 30 40 CFEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N/C2=N\C(=O)c1ccccc1 100364665 JYYVUMQUBHVWPC-SJCJKPOMSA-N 284.359 2.798 30 40 CFEB N#Cc1c[nH]c(C(=O)N2CCC3(CCCCC3)C2)c1 95406965 JZEGAABTRZBRBY-UHFFFAOYSA-N 257.337 2.683 30 40 CFEB Cn1c(/N=C/c2cccc([N+](=O)[O-])c2O)nc2ccccc21 101132335 DVYUKEJIVMEQHL-CXUHLZMHSA-N 296.286 2.938 30 40 CFEB N#Cc1ccc(C(=O)NCCc2cccs2)cc1 17909538 VSBTYTWVUMSPCE-UHFFFAOYSA-N 256.330 2.592 30 40 CFEB CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(C#N)c2)C1(C)C 75293612 FIVUINUWMXOJGB-YOEHRIQHSA-N 286.375 2.834 30 40 CFEB CCCC(=O)N(C)c1cc(C#N)c2ccccc2n1 78985687 UEZWXOKMRMYMGX-UHFFFAOYSA-N 253.305 2.869 30 40 CFEB CCN/C(S)=N\N=C\c1ccc(OCC)c(OCC)c1 41214158 XZMMGHXVCSOOPZ-MHWRWJLKSA-N 295.408 2.713 30 40 CFEB Cc1cnn(C[C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 69870078 PZFBDBMUTVPIFF-GJZGRUSLSA-N 298.390 2.661 30 40 CFEB CN(CC[S@](=O)c1ccccc1)Cc1ccc(C#N)cc1 69869626 CNAHLUPROIDEFL-OAQYLSRUSA-N 298.411 2.798 30 40 CFEB N/C(=N/Cc1cccnc1N1CCCCC1)c1ccccc1 69893492 PLHDVZWXMSEPAX-UHFFFAOYSA-N 294.402 2.977 30 40 CFEB CC[C@@](C)(C#N)NC(=O)c1ccc2ccccc2n1 40357256 TVPCGGGUNONYJQ-HNNXBMFYSA-N 253.305 2.657 30 40 CFEB C/C(=N\O)c1c(O)c2ccccc2c2oc(=O)sc12 16137229 FCEPLMQWSDDYRG-MKMNVTDBSA-N 275.285 2.912 30 40 CFEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1O 100005586 ISARRSHHZPBZFI-OBGWFSINSA-N 294.314 2.583 30 40 CFEB CN(CCCc1ccccc1)CC(=O)NC1(C#N)CCCC1 40105862 RFBDKQFTECBYNX-UHFFFAOYSA-N 299.418 2.504 30 40 CFEB COc1ccc([C@H]2CC=C[C@@H](OC)C2(C#N)C#N)cc1 340822 CHYXEGYOWCRWJX-HUUCEWRRSA-N 268.316 2.787 30 40 CFEB O=C1C(=CNC(=S)c2ccccc2)C(=O)c2ccccc21 6514057 XFABTOGETSULLG-UHFFFAOYSA-N 293.347 2.915 30 40 CFEB Cc1nc(C#N)c(N/N=C/C=C/c2ccccc2)o1 2695953 YCFMNQJVIHYKRR-ZCPHBQKFSA-N 252.277 2.966 30 40 CFEB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(C#N)c1 84637089 KGGDQTNKZXYDJU-DYVFJYSZSA-N 294.354 2.800 30 40 CFEB C=CCC/C(O)=N/S(=O)(=O)c1cccc2cnccc12 79102019 RDPMMDLXWVEYTQ-UHFFFAOYSA-N 290.344 2.846 30 40 CFEB N#Cc1ccccc1CN1CCN(Cc2ccccc2)CC1 22585982 WCRDGPDKLCCPOG-UHFFFAOYSA-N 291.398 2.876 30 40 CFEB N#CCN(Cc1ccccc1)C(=O)C[C@@H]1C=CCC1 58309659 BHHLRSLTURKGKY-CQSZACIVSA-N 254.333 2.895 30 40 CFEB O=C(/C=C/c1ccccc1)NOC(=O)/C=C/c1ccccc1 1563689 BDNJZOLJYVBEHO-PHEQNACWSA-N 293.322 2.988 30 40 CFEB N#Cc1cc(C#N)c(SCc2ccccc2)nc1N 21964806 SDYYPSOORFJCDO-UHFFFAOYSA-N 266.329 2.699 30 40 CFEB Cc1nn2c(=N)c(C#N)c[nH]c2c1-c1cccc(Cl)c1 104278938 RGUKOUUUTDQWCD-UHFFFAOYSA-N 283.722 2.642 30 40 CFEB CCC[C@H](C#N)NC(=O)CCc1nc2c(C)cccc2[nH]1 79020854 RZGUPCHKTDPTNG-GFCCVEGCSA-N 284.363 2.612 30 40 CFEB CN(C)c1ccccc1NC(=O)COc1ccc(C#N)cc1 12545157 QLYFMXHCXZKNAO-UHFFFAOYSA-N 295.342 2.642 30 40 CFEB Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C)cc1C 4516866 AORBSGCIQZFDQL-UHFFFAOYSA-N 296.374 2.782 30 40 CFEB CCC1=[N+](CC(=O)c2ccc(OC)cc2)CCn2cccc21 4902885 KWYUUIXZUPETIS-UHFFFAOYSA-N 297.378 2.605 30 40 CFEB C#CCNC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 65565363 WRDYCCBZDGPMSE-SOFGYWHQSA-N 296.301 2.776 30 40 CFEB O=C1/C(=N/O)c2ccc([N+](=O)[O-])cc2-c2ccccc21 4579171 GDAWETYYGCNNEG-FYWRMAATSA-N 268.228 2.636 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCc2cccc(C#N)c2)c1 69486211 HTDSIMYRGDOSKT-KBPBESRZSA-N 268.364 2.803 30 40 CFEB CCNC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 69565781 AXCXSDVBPYWTQK-LLVKDONJSA-N 291.782 2.564 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(-c2ccccc2)cn1 69704733 FYJDPXSSVQKNDR-QGZVFWFLSA-N 296.374 2.605 30 40 CFEB N#Cc1ccc(OCC(=O)c2ccc[nH]2)c(Cl)c1 18963519 NNDNOGKHCZIAQX-UHFFFAOYSA-N 260.680 2.801 30 40 CFEB N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)nc1 76465038 WPIFVPLNWFHGLQ-QGZVFWFLSA-N 291.354 2.704 30 40 CFEB CC[C@@H](Nc1ccc(C#N)cn1)c1c(C)nn(C)c1C 301472467 QBZCATQFQHDNLC-CYBMUJFWSA-N 269.352 2.867 30 40 CFEB N#Cc1ccc(-c2ccc(CN3CCOCC3)cc2)c(O)c1 521398323 NJASXNVYQZUGSI-UHFFFAOYSA-N 294.354 2.763 30 40 CFEB C=CCOCCCC(=O)Nc1cccc(Cl)c1O 96436516 LBMPYFFFDPFVGS-UHFFFAOYSA-N 269.728 2.967 30 40 CFEB N#Cc1ccc(OC2CN(C(=O)C[C@@H]3C=CCC3)C2)cc1 97378109 WMKLWJQZJBHRGE-CYBMUJFWSA-N 282.343 2.504 30 40 CFEB CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/C(=O)C1CC1 252479459 BFQRWNRFJYVYKH-BCPZQOPPSA-N 265.353 2.921 30 40 CFEB Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(Cl)c1C#N 33376777 RFUFJPWPYRARHR-UWVGGRQHSA-N 265.744 2.529 30 40 CFEB O=C1ON=C(c2ccc([N+](=O)[O-])cc2)/C1=C/c1ccco1 12374863 FVWBIITYMPGCMY-WQLSENKSSA-N 284.227 2.532 30 40 CFEB COc1cc(Br)c(CS)cc1OC 19421811 MFIQWQBYCDNBIQ-UHFFFAOYSA-N 263.156 2.896 30 40 CFEB CCOC1=CC(=CC=C2C=CN(C)C=C2)C=CC1=O 2038297410 HDYYSPVTHDNBQP-UHFFFAOYSA-N 255.317 2.871 30 40 CFEB N#CC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 61585915 ATVCTFPBEALZCE-UHFFFAOYSA-N 280.730 2.784 30 40 CFEB CCOC(=O)c1ccoc1CNc1cccc(C#N)c1 40473299 GBFICPQPOOOIGL-UHFFFAOYSA-N 270.288 2.940 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)c1ccccc1OC(F)F 32735987 LZKKIZRKIUSCJZ-AWEZNQCLSA-N 282.290 2.956 30 40 CFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)O2 33746031 ITTQFJCZHZMAHO-MDWZMJQESA-N 270.240 2.682 30 40 CFEB N#Cc1cnc(NCc2cccc(C(F)(F)F)c2)nc1 3133880 XSPVVBQNBSDMPS-UHFFFAOYSA-N 278.237 2.979 30 40 CFEB N#Cc1ccc(O)c(NC(=O)c2ccc3[nH]ccc3c2)c1 78998386 ZPWCOJKYNBNUIF-UHFFFAOYSA-N 277.283 2.997 30 40 CFEB C=CCOCCCC(=O)Nc1n[nH]c2cccc(F)c12 79775259 FEVJTGVYOXJTQQ-UHFFFAOYSA-N 277.299 2.623 30 40 CFEB CN(C(=O)c1ccc(C#N)cc1)C1Cc2ccccc2C1 55626761 KEDRHPLSPUHQFR-UHFFFAOYSA-N 276.339 2.798 30 40 CFEB CCN(CC)C[C@@H](C)[C@@]1(C#N)OCCc2ccccc21 4762662 ZQYXCJSGEWRXAI-RHSMWYFYSA-N 272.392 2.956 30 40 CFEB COc1ccc([C@@H]2CCN(c3ccc(C#N)cn3)C2)cc1 58217456 YULSQWQJUVOETA-OAHLLOKOSA-N 279.343 2.956 30 40 CFEB CCS(=O)(=O)c1ccc(O)c(/N=C/c2ccc(C)o2)c1 3240096 DWSGQDMNOVEVPN-OQLLNIDSSA-N 293.344 2.838 30 40 CFEB C[C@H](C#N)Cn1nc2c(c1C(F)(F)F)CCCC2 12395634 QXKRQVFZMVBSHR-MRVPVSSYSA-N 257.259 2.940 30 40 CFEB COCC(=O)Nc1cccc(C#Cc2cccs2)c1 12983647 FKYCZNLCOGZLRK-UHFFFAOYSA-N 271.341 2.733 30 40 CFEB COC(=O)COc1ccc(/C=N\c2cccc(OC)c2)cc1 408811912 WNNKVWJWOKBHKI-WQRHYEAKSA-N 299.326 2.998 30 40 CFEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccccn1 409032998 DBOSMWKVYDDQPZ-DVZOWYKESA-N 289.154 2.796 30 40 CFEB C=C1C=C[C@H]2C[C@]1(C)CN2S(=O)(=O)c1ccc(C)cc1 45069677 PYGJGBILVVWKQB-GOEBONIOSA-N 289.400 2.890 30 40 CFEB CN(C)c1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 225863627 KSDUSYBDWLJECM-UHFFFAOYSA-N 274.755 2.710 30 40 CFEB N#Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)c(F)c1 58232095 INTNZHRYSJNMAU-UHFFFAOYSA-N 284.338 2.800 30 40 CFEB CCCCC[C@@H](/C=N/N)C(O)(C(F)(F)F)C(F)(F)F 5783224 WAESTWWBMWLUAV-KIYQXGEKSA-N 294.239 2.983 30 40 CFEB Cc1ccc(-c2nc(C(=O)OCC#N)cs2)cc1 5564353 QJKVYJGOPABWOR-UHFFFAOYSA-N 258.302 2.799 30 40 CFEB COC(=O)C1=C(C)N/C(=C/c2ccc(C(C)C)cc2)C1=O 16606324 JOWALFHJQMRJPU-NTEUORMPSA-N 285.343 2.770 30 40 CFEB CCN(CC)C(=N)/C(C#N)=N\Nc1ccc(C)cc1 4482208 MWAVANUKKAQYMB-ZMERPEMGSA-N 257.341 2.606 30 40 CFEB O/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 100467534 YMHSLWUPHSLIJT-NBVRZTHBSA-N 251.289 2.984 30 40 CFEB CCOC(=O)/C(C#N)=N/Nc1ccc(SC(F)F)cc1 3171927 YRULCDKGTZLHFZ-LICLKQGHSA-N 299.302 2.856 30 40 CFEB N#C[C@@H](C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CCCC1 106867714 BGBNOJMPDYCFDL-ABHRYQDASA-N 288.391 2.580 30 40 CFEB CC1(C)C[C@H](NC(=O)c2ccc(N=[N+]=[N-])nc2)CCO1 108513808 LYUCWPQFFOFDHY-SNVBAGLBSA-N 275.312 2.711 30 40 CFEB Cc1noc(C)c1CCC(=O)Nc1ccc(C#N)cc1 12784592 KLFOYZSRYPRRMV-UHFFFAOYSA-N 269.304 2.734 30 40 CFEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C[n+]1ccccc1)C2 100726228 VWPNXOAXLXWARP-VBQJREDUSA-N 274.384 2.732 30 40 CFEB CNC(=S)N/N=C/c1ccc(OCc2ccccc2)cc1 4600531 ZYTRWTOCEXYTKK-WOJGMQOQSA-N 299.399 2.693 30 40 CFEB N#Cc1c(F)cccc1N1CCN(c2ccccc2O)CC1 7147519 NWZJQPICOCOXLX-UHFFFAOYSA-N 297.333 2.730 30 40 CFEB CCCC/N=C(\NCc1c(C)noc1C)N[C@@H](C)CC 71804063 OKPFIUFLGXOPQS-NSHDSACASA-N 280.416 2.925 30 40 CFEB CCn1c(SC[C@@H](C)C#N)nnc1-c1ccco1 8345197 PACPRCXQSAAXGL-VIFPVBQESA-N 262.338 2.810 30 40 CFEB CSC1=N[C@H](c2ccco2)C(C(C)=O)=C(C)N1C 408732474 VLRCYYDSECYAMD-GFCCVEGCSA-N 264.350 2.848 30 40 CFEB CN(CC[S@@](=O)c1ccccc1)Cc1cccc(C#N)c1 69580656 WNDCLFGLUBFRQH-NRFANRHFSA-N 298.411 2.798 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CS/C(N)=N/C(C)(C)C 95947637 IUAIFFBDLUCICU-GHMZBOCLSA-N 285.457 2.622 30 40 CFEB O=C(O)c1ccc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1 8048311 CLXZUJIMSLWJPM-XVNBXDOJSA-N 284.267 2.692 30 40 CFEB COc1ccc(/C=C\c2ccnc3c(C#N)cnn23)cc1 12951817 UREZKDMCGZKCHE-DJWKRKHSSA-N 276.299 2.780 30 40 CFEB CCn1nnc2cc(C(=O)Nc3sccc3C#N)ccc21 14626552 DQRXBIOVIXGWBQ-UHFFFAOYSA-N 297.343 2.637 30 40 CFEB COC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1 587904 RMGZSIQUVXIPDP-MHWRWJLKSA-N 255.273 2.929 30 40 CFEB COC(=O)COc1ccc(C(=O)/C=C/c2cccnc2)cc1 58344399 FCWWXJLIAAORSG-RUDMXATFSA-N 297.310 2.530 30 40 CFEB Cc1cc(C)cc(NCC(=O)N[C@@](C)(C#N)C(C)C)c1 36394066 XVPZECMFWQDZRA-INIZCTEOSA-N 273.380 2.770 30 40 CFEB C=CCn1c(C)cs/c1=N/c1ccc(C(=O)O)cc1 2676993 ILQDDPZTNZNHRH-CCEZHUSRSA-N 274.345 2.975 30 40 CFEB C=C(C(=O)OC)[C@H](O)c1csc(-c2ccccc2)n1 19835688 CKXGQEPBUHFIFN-LBPRGKRZSA-N 275.329 2.573 30 40 CFEB Cn1cc(/C=C/C(=O)N[C@@H](C#N)C2CC2)c2ccccc21 96430962 ABOZLYPXFVYTQS-HVHJFMEUSA-N 279.343 2.610 30 40 CFEB CC1(C)Cc2cccc(Oc3cnc(C#N)cn3)c2O1 70943061 LQTVHFSVXPEIRR-UHFFFAOYSA-N 267.288 2.854 30 40 CFEB COc1ccc(NC(=O)C(C)(C)C#N)cc1Cl 42091486 ILOHCXSFMIXNHH-UHFFFAOYSA-N 252.701 2.837 30 40 CFEB CCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21 14093727 QAGBZMNTSILWJP-UHFFFAOYSA-N 295.317 2.882 30 40 CFEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\n2cnnc2)o1 14137572 VEMPEJSTHONVEG-IDUWFGFVSA-N 297.274 2.637 30 40 CFEB N#CCSCC(=O)Nc1cccc(Cl)c1F 40513022 DZHKWRBGKOGJBK-UHFFFAOYSA-N 258.705 2.674 30 40 CFEB Cc1cc(C)cc(C(=O)[C@H](C#N)C(=O)C2CCC2)c1 102135196 UOBBGFLNAFXHET-CQSZACIVSA-N 255.317 2.995 30 40 CFEB C=CCn1cnc2c(sc3nc(C)cc(C)c32)c1=O 159106 ZAQJWORFRGLPLD-UHFFFAOYSA-N 271.345 2.809 30 40 CFEB CN(c1ccccc1)[C@H]1CS(=O)(=O)OC2=C1CCCC2 1571602 MRGATSAOESWUIV-AWEZNQCLSA-N 293.388 2.680 30 40 CFEB CNC(=S)NN=C1c2ccccc2-c2ccccc21 1714595 ZSEREECJGMVZTR-UHFFFAOYSA-N 267.357 2.513 30 40 CFEB CSC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 97144898 KPITZWOXRYQAQQ-QMMMGPOBSA-N 251.311 2.630 30 40 CFEB C[C@H](C(=O)Nc1cnn(CC#N)c1)c1ccc(Cl)s1 95408448 SOPAGEXHHXHNMA-QMMMGPOBSA-N 294.767 2.864 30 40 CFEB CCn1cc(C(=O)/C=C/c2ccc(OC)cc2OC)cn1 58297225 HTCFCLHSQLHQAU-SOFGYWHQSA-N 286.331 2.816 30 40 CFEB CCOC(=O)[C@H]1S/C(=N/c2ccccc2)N=C1C 104284468 XNVJJISCTSFQKL-VJSMGTLGSA-N 262.334 2.814 30 40 CFEB C[C@H](Oc1ccc(/C=N/c2ccco2)cc1)C(=O)O 59302276 ZEBADJXBLIDSDK-CNOAHFENSA-N 259.261 2.882 30 40 CFEB N#Cc1csc(CNc2nnc(-c3ccncc3)o2)c1 97378266 DNKMSSVZUPSPHV-UHFFFAOYSA-N 283.316 2.677 30 40 CFEB N#Cc1ncn(Cc2ccc(Cl)cc2Cl)n1 14142944 KGFCCLIEZGFVHQ-UHFFFAOYSA-N 253.092 2.505 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2ccccc2O1 69351937 VMEWRYBNEZUWJV-MRXNPFEDSA-N 296.326 2.526 30 40 CFEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2C)C1=O 409098689 OSRXRGONPPVTSB-ANHFWZFOSA-N 262.334 2.636 30 40 CFEB C=C(C)COCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 97034738 YRCWFFSPJIRMJB-KFWWJZLASA-N 265.397 2.516 30 40 CFEB C=CCOC(=O)c1nn(-c2ccc(C)cc2C)nc1C 73635684 METWKCMITHEZKO-UHFFFAOYSA-N 271.320 2.535 30 40 CFEB CCn1nc(OCc2ccc(C)c(C)c2)c(C#N)c1N 225830265 QTBLBWAFLLIIOC-UHFFFAOYSA-N 270.336 2.553 30 40 CFEB N#Cc1cccc(COc2ccccc2-c2nc[nH]n2)c1 92317005 BKXHOOWTXLDFAN-UHFFFAOYSA-N 276.299 2.922 30 40 CFEB COCCN(CCC#N)c1ccnc(-c2ccccc2)n1 95411796 FKBVHZXZXAYQML-UHFFFAOYSA-N 282.347 2.510 30 40 CFEB CCCN1CCC(N(C)Cc2ccccc2C#N)CC1 71892986 UTHMVUCCAVNZPM-UHFFFAOYSA-N 271.408 2.864 30 40 CFEB C#Cc1cccc(NC(=O)COc2ccccc2C)c1 12780550 RBGPANNACPANNJ-UHFFFAOYSA-N 265.312 2.994 30 40 CFEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccsc1 49303 YWAGQDPLIJLCAK-OVCLIPMQSA-N 269.329 2.649 30 40 CFEB CC(=O)Oc1ccccc1C(=O)c1cccc(C#N)c1 43209765 WKRXVSWZRCEUQE-UHFFFAOYSA-N 265.268 2.715 30 40 CFEB COc1ccccc1NC(=O)c1ccc(C#N)cc1 3481844 WNKUJJMTZLJJRT-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB CCCC/C(O)=N/S(=O)(=O)c1cccc2nsnc12 48519872 NKALJMKYVXXEPF-UHFFFAOYSA-N 299.377 2.527 30 40 CFEB CN(C)CCCNc1oc(-c2ccc(F)cc2)nc1C#N 3644689 OWCBXOIONXYLSP-UHFFFAOYSA-N 288.326 2.716 30 40 CFEB O=S(=O)(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc(Cl)cc1 5675225 DNQCVOWNLGVEFD-PCZPHVEJSA-N 296.779 2.570 30 40 CFEB C[C@H](NCc1ccc(F)c(C#N)c1)c1ccncc1 97084035 ZZWKLOAKNLOGFJ-NSHDSACASA-N 255.296 2.943 30 40 CFEB N#CCCNC(=O)CSc1ccccc1Br 16360625 YNFBEICNLKVURZ-UHFFFAOYSA-N 299.193 2.571 30 40 CFEB CC[C@@H](CC#N)NC(=O)Nc1ccc(F)c(NC(C)=O)c1 95942596 DRKWZECKQQTYIF-JTQLQIEISA-N 292.314 2.598 30 40 CFEB Cc1nc(C)c(COC(=O)c2ccc(C#N)c(C)n2)s1 78446201 HDMWKOVOYBGQPM-UHFFFAOYSA-N 287.344 2.692 30 40 CFEB CC[C@@]1(c2ccc(Br)cc2)O[C@@H]1C(=O)OC 85657598 IBEWDLLHKSNBQD-PWSUYJOCSA-N 285.137 2.626 30 40 CFEB CC1(C)OB(c2cnc(-c3ccco3)s2)OC1(C)C 198091933 GSOCEBCPBZEONL-UHFFFAOYSA-N 277.154 2.702 30 40 CFEB Fc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)c(F)c1 95096119 GNNXGDCSNDXBDS-XCBNKYQSSA-N 268.181 2.984 30 40 CFEB CCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1F 253559955 AFEWXANSTYHHEC-UHFFFAOYSA-N 298.333 2.990 30 40 CFEB Cc1ccc(C#N)c(SC(=O)c2ccccn2)n1 5740246 UKILRHUOXIIXKV-UHFFFAOYSA-N 255.302 2.589 30 40 CFEB C=C1C[C@@H](OC(C)=O)/C=C(/C)CC[C@@H](C(C)(C)O)C[C@H]1O 5619007 WAGDOKQHNWIHJF-CIDUYRBDSA-N 296.407 2.743 30 40 CFEB N#C[C@@H]1Oc2ccccc2N1C(=O)c1ccccc1 5662691 GOTQFYLVYYDYTO-AWEZNQCLSA-N 250.257 2.575 30 40 CFEB COc1ccc(/N=C2\C(=O)N(C)c3ccccc32)c(OC)c1 101636350 FCFXCKDTTUHTBP-VLGSPTGOSA-N 296.326 2.801 30 40 CFEB CC(=O)C1=C(NC(=O)Cc2ccccc2)C[C@@H]2[C@@H]1C2(C)C 100740800 YHJWXXURBVCFHD-DYVFJYSZSA-N 283.371 2.864 30 40 CFEB biogenic O=C1C(=Cc2ccc(O)c(O)c2)C(=O)c2ccccc21 492694 HNKTYJVAICSKHB-UHFFFAOYSA-N 266.252 2.560 30 40 CFEB N#Cc1ccc(N[C@H]2c3ccccc3C[C@H]2O)cc1 1695670 VEJVFBVGHOEGLV-CVEARBPZSA-N 250.301 2.628 30 40 CFEB C=C(C)CN(CC)C(=O)NCc1nnc(C(C)(C)C)s1 95412642 UUXHCCCWNIAYSC-UHFFFAOYSA-N 296.440 2.943 30 40 CFEB C=CCNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 9460030 GLGVDUKRPZYTGA-UHFFFAOYSA-N 287.344 2.739 30 40 CFEB COC(=O)c1sccc1-c1ccc(/C=N/O)o1 100277755 RPJZAXLNIDSWLN-WUXMJOGZSA-N 251.263 2.603 30 40 CFEB N#Cc1c(-c2cccc(C(F)(F)F)c2)cc[nH]c1=O 4025016 KKXQQWLUTICLFC-UHFFFAOYSA-N 264.206 2.932 30 40 CFEB COc1ccc2nc(NN=C3C=CC(=O)C=C3)sc2c1 6458024 GSEVRXRMDDMGLQ-UHFFFAOYSA-N 285.328 2.768 30 40 CFEB OCC#CCSc1nnc(-c2cccc3ccccc23)o1 4559501 NPBWOHGXTXQHGH-UHFFFAOYSA-N 296.351 2.978 30 40 CFEB Cc1noc(C)c1C(=O)OCc1cn2ccccc2c1C#N 14852727 VAGHRZSROUVKMF-UHFFFAOYSA-N 295.298 2.773 30 40 CFEB S=C(NCc1ccccc1)N/N=C/[C@H]1CC=CCC1 7013379 IDXIZZBMSLETCK-IQGJIOQQSA-N 273.405 2.993 30 40 CFEB COC(C)(C)C[C@H](C)NC(=O)NCc1cccc(C#N)c1 96439196 DJTNADAHBJKAFC-LBPRGKRZSA-N 289.379 2.561 30 40 CFEB Cc1ccsc1C(=O)OCC1(C#N)CCOCC1 97056568 YYXXPJUQDWRAQA-UHFFFAOYSA-N 265.334 2.534 30 40 CFEB COC(=O)c1ccc(/C=C/C(=O)c2cncs2)cc1 97002219 FEJIUEKUHNBDFN-QPJJXVBHSA-N 273.313 2.826 30 40 CFEB C[C@H]1CN(C(=O)c2cccc(F)c2C#N)c2cccnc2O1 189063533 MLGJOJMTABNXKQ-JTQLQIEISA-N 297.289 2.520 30 40 CFEB CCCc1nc(SCC(C)C)nc(N)c1C#N 225891836 UUBJEJPSJGGICG-UHFFFAOYSA-N 250.371 2.631 30 40 CFEB C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC 195577753 MIKVUMSUBZXPKT-HIFRSBDPSA-N 289.375 2.842 30 40 CFEB CC(C)Oc1c(N)cc(C#N)n1Cc1cccc(F)c1 225875061 SKDVYTTWAKRFTI-UHFFFAOYSA-N 273.311 2.917 30 40 CFEB CC[C@H](C#C[Si](C)(C)C)Nn1nnnc1-c1ccccc1 196088060 DJVPKVGAIMPGRM-CQSZACIVSA-N 299.454 2.543 30 40 CFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CC1CCCC1 96041533 VJMWXIXMWHGVNS-ZMSDIMECSA-N 293.407 2.528 30 40 CFEB C=CCO[C@@H]1CO[C@]2(CCCN(Cc3ccoc3)C2)C1 96048189 AAEYIAGZNDFJHA-JKSUJKDBSA-N 277.364 2.606 30 40 CFEB C[C@@H](CCn1cccn1)Nc1ccc(CC#N)cc1 97095685 GTMUJWRUMIXUAJ-ZDUSSCGKSA-N 254.337 2.840 30 40 CFEB C=C(C)CN(CC)C(=O)NCc1ncc(CC)s1 74842550 CIVXLGSQCIFPBW-UHFFFAOYSA-N 267.398 2.813 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)/C=C/c1ccccc1 3106637 XFZMBXABZRTTTE-DEUWDJJESA-N 267.284 2.684 30 40 CFEB Cc1ccsc1/C=N\N1CCN(c2ccccn2)CC1 12463229 SQKDNYFKHLGFCS-ATVHPVEESA-N 286.404 2.608 30 40 CFEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 6272503 MEKCJXMMHWFKIT-DTQAZKPQSA-N 288.372 2.698 30 40 CFEB Cc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)o1 19848770 UFDMJXBQTXJSAM-QGOAFFKASA-N 283.375 2.740 30 40 CFEB N#Cc1ccc(CCC(=O)NCc2cccc(F)c2)cc1 40069559 IOGGHHYGSATORE-UHFFFAOYSA-N 282.318 2.946 30 40 CFEB N#Cc1ccccc1NC(=O)Nc1ccc2c(c1)OCO2 20514499 XKVWOQNRKGVFOA-UHFFFAOYSA-N 281.271 2.931 30 40 CFEB N#Cc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 12535131 AIAXWMPZMCYAKH-UHFFFAOYSA-N 288.310 2.568 30 40 CFEB N#Cc1cc(CN2CCCC[C@H]2c2ncn[nH]2)ccc1F 97055798 JSQPXFJJQDPKGZ-AWEZNQCLSA-N 285.326 2.543 30 40 CFEB CC(C)N(CC(=O)N(C)C(C)(C)C#N)c1cccc(C#N)c1 58251070 ZEOBZNPCHZSYGI-UHFFFAOYSA-N 298.390 2.534 30 40 CFEB N#Cc1ccccc1C(=O)c1cccc(CN2CCC2)c1 2515107 VBECEPWTMYZXDD-UHFFFAOYSA-N 276.339 2.995 30 40 CFEB C[C@H]1CCc2onc(C(=O)Nc3ccc(C#N)cc3)c2C1 20572122 OXBKONSFUBHZNZ-JTQLQIEISA-N 281.315 2.923 30 40 CFEB C=CCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 4072852 AVHKFTNWDZLWSG-UHFFFAOYSA-N 295.264 2.807 30 40 CFEB C=CC/N=C(/NCC[C@@H]1CCCO1)NCc1cccs1 95350548 KPPSZIJNRNTYIT-ZDUSSCGKSA-N 293.436 2.538 30 40 CFEB C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 72272052 XYBJBDJCOSOAKN-VXGBXAGGSA-N 280.393 2.788 30 40 CFEB CC1=C/C(=N\NC(=S)NC2CCCCC2)CC1 7013702 UNMRHGKKNPEMIY-QINSGFPZSA-N 251.399 2.879 30 40 CFEB Cc1ccccc1-c1nnc(S)n1/N=C/c1ccncc1 6056335 IJAMWJLMTCVIPT-LICLKQGHSA-N 295.371 2.819 30 40 CFEB N#Cc1cc2c(cc1C(=O)c1cccs1)OCCO2 12858549 VEAMVJJXVNTCEW-UHFFFAOYSA-N 271.297 2.622 30 40 CFEB C=CCCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220728503 VVJFLALXNKCWTP-LBPRGKRZSA-N 289.379 2.694 30 40 CFEB CN1CCN(/N=C/C=C2/N(C)c3ccccc3C2(C)C)CC1 103381696 CRUVMGRDPLBMNJ-LVOXPBLISA-N 298.434 2.531 30 40 CFEB CN(C)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 78617653 PXBISTZBDDCSPN-CYBMUJFWSA-N 263.772 2.742 30 40 CFEB N#C[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 1580421 LKIMWUXHYSHMQF-OAHLLOKOSA-N 295.294 2.593 30 40 CFEB Cc1nnc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)s1 43406864 BLYKBBXEQOINEW-MRVPVSSYSA-N 287.348 2.601 30 40 CFEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(C)c1O 6545921 VHORMKVMNFWYEK-LZYBPNLTSA-N 286.291 2.758 30 40 CFEB Cc1oc(-c2ccc(OC(C)C)cc2)nc1C/C(N)=N/O 57478100 LHGZBHZVULCTPW-UHFFFAOYSA-N 289.335 2.726 30 40 CFEB C=CCNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256156 LBZLDSNVYKGCDH-UHFFFAOYSA-N 275.352 2.897 30 40 CFEB C[S@@](=O)c1cccc(NCc2cc(C#N)cs2)c1 95428783 IWWOKDQBQYGBNA-SFHVURJKSA-N 276.386 2.969 30 40 CFEB O=C(O)c1ccc(N/N=C2\CCc3c(O)cccc32)cc1 13458427 LGZARICDXDRXCK-NBVRZTHBSA-N 282.299 2.853 30 40 CFEB COc1ccc(F)cc1C(=O)COc1ccc(C#N)cc1 5868157 ZMBXPNIYUMHBOV-UHFFFAOYSA-N 285.274 2.968 30 40 CFEB N#C[C@@H](C(=O)c1cccc(C2OCCO2)c1)c1ccccn1 97033160 PDISPWUHKQFJIZ-CQSZACIVSA-N 294.310 2.617 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)COC1CCCCC1 71185084 BGCVQNZOOMFHFK-UHFFFAOYSA-N 290.363 2.871 30 40 CFEB O=C1Nc2ccccc2C(=O)/C1=C/Nc1cccc(F)c1 226760375 KEJNNIMWFOXCOF-LCYFTJDESA-N 282.274 2.957 30 40 CFEB N#Cc1ccc([N+](=O)[O-])cc1Nc1ccc(OCCO)cc1 95407609 YWMPDEYBTWNLRX-UHFFFAOYSA-N 299.286 2.581 30 40 CFEB NC(=O)[C@]1(c2ccccn2)O[C@H]1c1cccc2ccccc12 162567 XXMRRXBBQWOURU-FUHWJXTLSA-N 290.322 2.687 30 40 CFEB C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 519249 FXKCXGBBUBCRPU-RJZRQDKASA-N 252.354 2.985 30 40 CFEB biogenic,in-vitro C=C[C@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O 28539497 BGUYVWYUIXKRDO-RKIJOGDYSA-N 256.386 2.562 30 40 CFEB biogenic,in-vitro CN(Cc1cccc(C#N)c1)C(=O)c1cccc(N(C)C)c1 25293242 YNNYGRFNCCZQRW-UHFFFAOYSA-N 293.370 2.896 30 40 CFEB C[C@@H]1CCC/C(=C\NCc2ccc3c(c2)OCO3)C1=O 105885381 UDHICCNJSAIPGR-VSXLWIIGSA-N 273.332 2.778 30 40 CFEB CC/N=C1/S/C(=C/c2ccoc2)C(=O)N1CC 408931683 OWPTWZXXGXGCNL-KVAQXVMESA-N 250.323 2.592 30 40 CFEB CN(CCC#N)C(=O)CSc1ccnc2ccccc12 65497611 ZXAYVKZBOWRWAD-UHFFFAOYSA-N 285.372 2.699 30 40 CFEB C=C(Cl)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 69371633 FTLPTELRLOKSHV-ZDUSSCGKSA-N 294.830 2.936 30 40 CFEB CC(C)Oc1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 211698529 PSAKGDXRRYHALI-UHFFFAOYSA-N 280.148 2.912 30 40 CFEB N#Cc1cnn(-c2ccc(-c3ccccc3)cc2)c1N 85397822 DMKKMIJKSDTKEB-UHFFFAOYSA-N 260.300 2.993 30 40 CFEB N#CC1(C(=O)c2ccccc2Br)CCOCC1 85395693 BOBAVXCKDMNAGO-UHFFFAOYSA-N 294.148 2.952 30 40 CFEB N#Cc1cccc(Cn2nccc2-c2ccncc2)c1 92314245 VMTMZCVKHHHNRN-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB CCCCCCCCCCCC=[N+](CCO)CCO 103666693 ASGZLXKBMOBPBV-UHFFFAOYSA-N 272.453 2.975 30 40 CFEB O=[N+]([O-])c1ccc(/N=C\c2ccccc2O)c(O)c1 17425260 XIAUVVVPBGQLFT-ZSOIEALJSA-N 258.233 2.757 30 40 CFEB C=C(C)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F 2571958 MIKFERZOWUQQSR-UHFFFAOYSA-N 267.144 2.512 30 40 CFEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)NC(=S)N2 2601609 CXRXITOMQXPUSE-ZDUSSCGKSA-N 292.791 2.866 30 40 CFEB CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 19846825 XHBHQNFDTRDWEX-LBPRGKRZSA-N 259.353 2.617 30 40 CFEB Cc1nc(SCCO)c(C#N)c(C#N)c1-c1ccccc1 85409242 IZTBCZDIBVLREX-UHFFFAOYSA-N 295.367 2.885 30 40 CFEB C=CCNC(=S)N1CC[C@@]2(C)c3ccccc3N[C@]12C 4623360 ZUGLQHQFKRZDST-JKSUJKDBSA-N 287.432 2.852 30 40 CFEB S=C(NCc1ccccc1)N/N=C/c1ccccc1 6223174 PRHQWJLKGCVRIN-SFQUDFHCSA-N 269.373 2.685 30 40 CFEB COCCN(CC(C)C)C(=O)Nc1cccc(C#N)c1 40526248 ZFGBWFHITOCQLB-UHFFFAOYSA-N 275.352 2.695 30 40 CFEB COc1ccccc1CN1C(=O)/C(=N/O)c2cccc(C)c21 102785120 KYBFFBKCUMKWHD-OBGWFSINSA-N 296.326 2.729 30 40 CFEB CCc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1 103502462 IHRUKEPGSFPWMU-OAHLLOKOSA-N 284.359 2.584 30 40 CFEB COc1ccc2c(c1C)CC[C@]1(CO)C(C(C)=O)=CC[C@H]21 1560141 LPRQRIGFEPDRET-AEFFLSMTSA-N 286.371 2.931 30 40 CFEB CC(C)[C@H]1CC[C@@H](C)[C@H](C(C#N)(C#N)C(C#N)C#N)C1=O 102676013 RXUGENCIFOVTBC-BNOWGMLFSA-N 282.347 2.571 30 40 CFEB N#C/N=C1/N=[S@](=O)(c2ccccc2)c2ccccc21 104201658 FLYMZSKTSGKHJB-IDCODDLRSA-N 267.313 2.814 30 40 CFEB Cc1cc(C)c(C(=O)/C=C(\S)N2CCOCC2)c(C)c1 104135281 HURPHOHYYCWIEU-GDNBJRDFSA-N 291.416 2.898 30 40 CFEB COc1ccc(/C=N\O)cc1Oc1nc(Cl)ncc1F 409006666 KAGBPALMQGTXSP-BNCCVWRVSA-N 297.673 2.878 30 40 CFEB COc1cc2oc(=O)ccc2cc1C(=O)C=C(C)C 13434334 XJDSLGAFRQCARR-UHFFFAOYSA-N 258.273 2.951 30 40 CFEB biogenic,in-vitro Oc1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1 4477897 VWFOLZOWVIXQGB-LICLKQGHSA-N 291.314 2.690 30 40 CFEB Cc1cc([C@H](C#N)C(=O)C[C@@H](C)C2CC2)nc(C)n1 68336378 CEGHOXJNTBRIQM-RNCFNFMXSA-N 257.337 2.706 30 40 CFEB C/C=C(\C)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 84136194 DDCATXUJHSUQPK-LLMHMKPQSA-N 253.305 2.716 30 40 CFEB C=CCNC(=O)N[C@H](C)c1ccccc1Br 26518062 ZHGIVHQTSODECG-SECBINFHSA-N 283.169 2.995 30 40 CFEB Cc1cc(/C=N/O)cnc1N(C)Cc1ccccc1 72222346 GXAOKEDFDYGFRI-LICLKQGHSA-N 255.321 2.835 30 40 CFEB CC(C)c1nc([C@@H]2CCCN2C[C@H](C#N)CCC#N)no1 75581820 HFPHQXGNGYJDEN-STQMWFEESA-N 287.367 2.773 30 40 CFEB Cc1cccc(S(=O)(=O)/N=C(\O)CCC(F)(F)F)c1 76760101 BIMJRXPOLGGSNW-UHFFFAOYSA-N 295.282 2.983 30 40 CFEB C=CCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225276971 XQGRPUSVPNPEIE-UHFFFAOYSA-N 284.768 2.599 30 40 CFEB N#Cc1cc(N)c(N2CCCC2)n1Cc1ccccc1 225864708 BYFTYGJGMVKOBH-UHFFFAOYSA-N 266.348 2.590 30 40 CFEB C=CCOc1c(C(=O)O)oc2ccc([N+](=O)[O-])cc12 96510858 PYGUIFWAFMOSBG-UHFFFAOYSA-N 263.205 2.604 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(C)o1)C2 96071438 ITDIMSIBTLPWHH-KRWDZBQOSA-N 288.391 2.845 30 40 CFEB COc1ccc(/C=C/c2nc(C(=O)O)ccc2C#N)cc1O 31732826 XBMWBMQOBJRTBL-GORDUTHDSA-N 296.282 2.536 30 40 CFEB N#Cc1cc(C(F)(F)F)c(OC(F)(F)F)cn1 91252451 XYFNPLHUMNYNKY-UHFFFAOYSA-N 256.105 2.871 30 40 CFEB N#CC1(NC(=O)/C=C/C2CCOCC2)CCCCCC1 95441844 NUMCXZWEPLUDSR-AATRIKPKSA-N 276.380 2.702 30 40 CFEB C[C@H](C[S@](C)=O)Nc1ccc(C(F)(F)F)c(C#N)c1 97379233 VZABTSGFVBTMNM-LILOVNGRSA-N 290.310 2.756 30 40 CFEB Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1[N+](=O)[O-] 1690941 FNSVJEGHKFDQGK-UHFFFAOYSA-N 265.578 2.842 30 40 CFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(O)cc1 5638734 MWNAGTIAJQLCHQ-MHWRWJLKSA-N 270.288 2.927 30 40 CFEB CN(CC(=O)Nc1sccc1C#N)C1CCCCC1 3251821 QCGVLPDIXKNXFL-UHFFFAOYSA-N 277.393 2.823 30 40 CFEB N#Cc1ccccc1Cn1cccc(C(F)(F)F)c1=O 25060705 NAFBJDMXSCHULJ-UHFFFAOYSA-N 278.233 2.787 30 40 CFEB N#Cc1ccc(N[C@H]2CCOc3ccccc32)nc1 52076665 APRPINFXOFCFOT-ZDUSSCGKSA-N 251.289 2.889 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 41636845 JVACVINWWKJWSP-UHFFFAOYSA-N 293.294 2.747 30 40 CFEB C=CCOc1ccccc1CNC(=O)N1CCSCC1 78926259 ORJQZVAUBUGFDI-UHFFFAOYSA-N 292.404 2.510 30 40 CFEB COc1ccc(C2=C(N)c3cc(OC)ccc3C2=O)cc1 1650326 SSXNAVNUUDFWTL-UHFFFAOYSA-N 281.311 2.727 30 40 CFEB COc1ccc(C(=O)/C=C/c2ccncc2)c(O)c1 4707205 NDCUPZSBKRPIAM-GORDUTHDSA-N 255.273 2.692 30 40 CFEB COc1ccc(OCCOC(=O)c2cccc(C#N)c2)cc1 2634916 HEQJVLHEMXAASA-UHFFFAOYSA-N 297.310 2.803 30 40 CFEB Cc1ccc(COc2cccc(/C=N/NC(N)=S)c2)cc1 5236871 FIUWIAVVIIRZBN-VCHYOVAHSA-N 299.399 2.741 30 40 CFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 4549763 MEEDCJVVWGYIKY-MDWZMJQESA-N 290.235 2.932 30 40 CFEB CN(c1ccccc1)c1ccccc1NCC(=O)NCC#N 96455514 ROCVTKJBFJVGGA-UHFFFAOYSA-N 294.358 2.506 30 40 CFEB N#Cc1cc(Cl)ccc1N1CCC(n2cncn2)CC1 71899512 HSLLTFARTBAWBU-UHFFFAOYSA-N 287.754 2.645 30 40 CFEB COC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 7657186 SPGTZPVEAZLCDI-UHFFFAOYSA-N 280.283 2.597 30 40 CFEB C=CCOc1cccc(NC(=S)NC(C)C)c1 63790977 NVQWSTJGWXVLGF-UHFFFAOYSA-N 250.367 2.946 30 40 CFEB C=C(Br)CN1CCCC[C@@H]1[C@H](O)CC 76325282 GLYRTCCVBLPCBX-GHMZBOCLSA-N 262.191 2.520 30 40 CFEB C=CCNC(=S)Nc1cccc(OC(C)C)c1 225277334 SWTXUAKERVMYNC-UHFFFAOYSA-N 250.367 2.946 30 40 CFEB CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1(C)C 332061405 YBPAGOBCYINCEH-RSUWNVLCSA-N 293.411 2.524 30 40 CFEB Fc1ccccc1[C@H](OC[C@H]1CO1)C(F)(F)F 95095927 WEBKBWVOCJAALI-XCBNKYQSSA-N 250.191 2.845 30 40 CFEB CN(C)/C=C(\C=[N+](C)C)c1ccc(Br)cc1 96298940 MYRRYWMBDBCFTM-UHFFFAOYSA-N 282.205 2.695 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=C(Cl)C1=O 5080590 UXASVZPBDIQODI-SIBHMAHQSA-N 280.751 2.986 30 40 CFEB C=CCOc1ccccc1/C=C1\SC(=S)NC1=O 12363636 YKKMFKQWHIAXEG-FLIBITNWSA-N 277.370 2.740 30 40 CFEB O=C1CCCC2=C1C(c1ccco1)C1=C(CCCC1=O)N2 19596604 MQDNCQXRYNFWLF-UHFFFAOYSA-N 283.327 2.981 30 40 CFEB CC(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 206186422 AWNYEFROYSRNLZ-UHFFFAOYSA-N 261.174 2.691 30 40 CFEB N#Cc1ccccc1NC(=O)c1ccccc1C(=O)O 365004 NNNSYANEELHVMK-UHFFFAOYSA-N 266.256 2.509 30 40 CFEB N#Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 32721303 OPLIBKBRHYLZCD-GFCCVEGCSA-N 282.265 2.973 30 40 CFEB CN(C)c1cccc(C(=O)N(CCC#N)CC(F)(F)F)c1 78968347 IYXQRIZKROMSKP-UHFFFAOYSA-N 299.296 2.671 30 40 CFEB C=C(C)C(CC(C)C)(C(=O)OCC)C(=O)OCC 1600397 UWVZLBFBPIDYEE-UHFFFAOYSA-N 256.342 2.721 30 40 CFEB Cc1onc(C#N)c1C(=O)Nc1ccc(Cl)cc1 1391562 JCBJJWLHBMGVCV-UHFFFAOYSA-N 261.668 2.760 30 40 CFEB C=CCCC(=O)NCC1CCC(NC(=O)CCC=C)CC1 95456313 JKDHZFOOGQBSSU-UHFFFAOYSA-N 292.423 2.710 30 40 CFEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@H]4C=C[C@@H]4[C@H]23)cc1 101046575 IXJFKIGVJVLUOZ-AHDPXTMNSA-N 276.357 2.521 30 40 CFEB C=CCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 3349654 OSJSZQZOFCRZFT-UHFFFAOYSA-N 294.401 2.812 30 40 CFEB CN(C/C(O)=N/c1nncs1)Cc1ccccc1Cl 48552612 KDHDAGKZRHIOMV-UHFFFAOYSA-N 296.783 2.912 30 40 CFEB CC1=NNC(=O)[C@H]1[C@H](c1ccc(C(C)C)cc1)C(C#N)C#N 104815743 VOPCIEVXBIWKMR-HZPDHXFCSA-N 294.358 2.679 30 40 CFEB N#Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 9217770 DAVJZGDINSVEBU-VMPITWQZSA-N 292.294 2.939 30 40 CFEB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccccc1C#N 6291341 ZDICZCMMPMUYEO-OLZOCXBDSA-N 298.342 2.785 30 40 CFEB CC(C)(C)n1cc(NC(=O)CNc2ccc(C#N)cc2)cn1 65520719 FCRUSTFVQHXRKF-UHFFFAOYSA-N 297.362 2.560 30 40 CFEB C=CCOc1cccc(NC(=S)NC[C@H]2CCCO2)c1 138873861 LDYCXFSJKDZALT-CQSZACIVSA-N 292.404 2.717 30 40 CFEB C[C@@H](SC1=NCCS1)C(=O)Nc1ccc(C#N)cc1 8329371 ACAPRNLWIGZUJZ-SECBINFHSA-N 291.401 2.721 30 40 CFEB Cc1c(C(=O)N(CC#N)C2CCCC2)cnn1C(C)C 92465532 SHWVWHMGQXDVDM-UHFFFAOYSA-N 274.368 2.681 30 40 CFEB Cn1cc(C2=CCN(C(=O)CC#N)CC2)c2ccccc21 97097466 HOHBTSHBELFNTL-UHFFFAOYSA-N 279.343 2.708 30 40 CFEB COc1ccc(Cn2cccc2C(=O)CC#N)cc1 85396842 IEGDYNIRPYYDKT-UHFFFAOYSA-N 254.289 2.641 30 40 CFEB C=CC[C@H](C)[C@@H](C)NCc1ccc(S(C)(=O)=O)cc1 96476707 WLIZSHZWRWEFHS-QWHCGFSZSA-N 281.421 2.780 30 40 CFEB C=CCCC[C@H](C)NC(=O)N1CCC(C)(CO)CC1 97377500 CDMVWWZEOORBGC-ZDUSSCGKSA-N 268.401 2.535 30 40 CFEB COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#N)o1)O2 98013814 DXVJBPDBWPDZRX-AUWJEWJLSA-N 267.240 2.776 30 40 CFEB COc1cc(/C=[N+](\[O-])c2ccc(C)cc2)ccc1O 94993252 DBFGSTOEDKZIIR-YBEGLDIGSA-N 257.289 2.970 30 40 CFEB Clc1cccc(CN2CC[C@@H]3O[C@H]3C2)c1Cl 242473358 FHGQDWRRFRRGBN-QWRGUYRKSA-N 258.148 2.967 30 40 CFEB COCc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 200258319 OIPCGDBVABBJAD-UHFFFAOYSA-N 282.576 2.786 30 40 CFEB in-vitro OC(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl 5566693 YJLZARZNOOBWLO-UHFFFAOYSA-N 297.079 2.858 30 40 CFEB CCOC(=O)/C(=C\c1ccc(C#N)cc1)N(CC)CC 5807507 VRZXPTVDPMRBJL-RVDMUPIBSA-N 272.348 2.804 30 40 CFEB O=C(O)CC[C@@](F)(OC(F)(F)F)C(F)(F)F 16159364 RNKVRXPFNPPBHP-SCSAIBSYSA-N 258.089 2.616 30 40 CFEB COc1ccc(O)c(/C=N\c2ccc(C(=O)O)cc2)c1 19924461 QBUCOIMTCULYJT-SXGWCWSVSA-N 271.272 2.850 30 40 CFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 7384243 UNSSSRNHMGEDBH-OLZOCXBDSA-N 271.364 2.617 30 40 CFEB O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccco1 1803254 VHPJEJVREPFYTP-HXWFAXSVSA-N 299.355 2.745 30 40 CFEB Cc1cccc(C(=O)OCc2ccc(CC#N)cc2)n1 95463455 ZHYLJISGZZFIEL-UHFFFAOYSA-N 266.300 2.813 30 40 CFEB C(=N/Nc1ncnc2[nH]cnc12)\c1cccc2ccccc12 54890499 LHEYQNBUSWJFDZ-ODCIPOBUSA-N 288.314 2.952 30 40 CFEB CC(C)N1CC[C@@H](CNc2cccc(F)c2C#N)C1 60355887 NAAMBKAJMKPXGT-LBPRGKRZSA-N 261.344 2.840 30 40 CFEB CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](C)S2)cc1 13591562 QGFCFTHXUFBIKS-XBLUXWHVSA-N 275.377 2.751 30 40 CFEB Cn1c(C/C(=N\O)c2ccccc2)nc2ccccc21 9318764 VCGVKTADLHNERP-NBVRZTHBSA-N 265.316 2.994 30 40 CFEB N#Cc1cccc(OCC(=O)N2CCc3ccccc32)c1 6401706 IOXIQVDPTGJBLP-UHFFFAOYSA-N 278.311 2.526 30 40 CFEB CC[C@H](CO)Nc1cc(C)c(C#N)c2nc3ccccc3n12 71872219 BVXDUMNYCMLLSW-GFCCVEGCSA-N 294.358 2.850 30 40 CFEB COc1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1O 31857530 LTXNMCVQPOTGBG-DHDCSXOGSA-N 287.275 2.755 30 40 CFEB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)CCC#N)o1 64003441 CLHWSUOHLMYTSD-BVKQBWKVSA-N 258.321 2.788 30 40 CFEB C=C(C)C[C@@H](C)C(=O)N1C[C@H](C(=O)O)c2ccccc21 192948665 NXYHGBXAASAMDL-YPMHNXCESA-N 273.332 2.804 30 40 CFEB N#Cc1ccc2ncc(CN3CCC[C@@H]4CCC[C@@H]43)n2c1 92485564 NGWDLZDILKQOCC-HOCLYGCPSA-N 280.375 2.970 30 40 CFEB COc1ccc(/C=C/C(=O)[C@@]23CCC[C@H]2O3)cc1OC 100019831 VGHKTVMADWRSIB-DODUIYEKSA-N 274.316 2.608 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@](C=O)(c2ccccc2)C1 208353220 ZWDOWFJBWMGNOA-INIZCTEOSA-N 275.348 2.764 30 40 CFEB N#Cc1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2)c1 5966400 GWPIJBMNRLDCHP-UHFFFAOYSA-N 282.255 2.823 30 40 CFEB N#Cc1ccc(N2CCC(c3nnc(C4CC4)o3)CC2)nc1 1888854257 QIUVRNULXNMHNE-UHFFFAOYSA-N 295.346 2.598 30 40 CFEB C/C(=N\N=c1/[nH]c(C)c(C)s1)c1ccc([N+](=O)[O-])cc1 4481752 DVOGJPWCPGSLQT-OQLLNIDSSA-N 290.348 2.926 30 40 CFEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 20604809 JMJNFCSKDRLCJF-UHFFFAOYSA-N 283.303 2.886 30 40 CFEB Cc1ccccc1C(=O)NC(=S)Nc1ccccc1C#N 359637 LSDQDXJKMJODDN-UHFFFAOYSA-N 295.367 2.994 30 40 CFEB COc1cc(CNCc2cccc(C#N)c2)cc(OC)c1 37501694 RCCFORPSAIYUCT-UHFFFAOYSA-N 282.343 2.865 30 40 CFEB N#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)cc1 1695673 VEJVFBVGHOEGLV-JKSUJKDBSA-N 250.301 2.628 30 40 CFEB C[C@@H](C#N)OC(=O)c1ccc(OCc2cscn2)cc1 25066429 HZINDJROZAKVIM-JTQLQIEISA-N 288.328 2.791 30 40 CFEB COc1ccc(CNc2ccc(C#N)cn2)cc1OC 35149529 CEXBDHKBZAKJSG-UHFFFAOYSA-N 269.304 2.583 30 40 CFEB CC[C@@H](C#N)S(=O)(=O)N(C)[C@H](C)c1cc(C)ccc1C 108134294 RNNPFVUWYGKOIM-KGLIPLIRSA-N 294.420 2.928 30 40 CFEB CC(C)c1nc([C@H]2CCCN(c3ccc(C#N)cn3)C2)no1 72279258 ZXDPYHFOOPWBIS-ZDUSSCGKSA-N 297.362 2.844 30 40 CFEB COC(=O)c1cc(NC(=O)c2ccc(C#N)cc2)ccc1F 12752693 HEFIOOMYLPZXNL-UHFFFAOYSA-N 298.273 2.736 30 40 CFEB CCc1nc([C@H](C#N)C(=O)C[C@@H]2CCCO2)sc1C 48763835 SUDDPTCZKINPDC-WDEREUQCSA-N 278.377 2.759 30 40 CFEB C[C@@H](C#N)OC(=O)c1ccccc1NCc1ccco1 14901670 UHRICURFRIQIQM-NSHDSACASA-N 270.288 2.961 30 40 CFEB Cc1ccc(SCCn2cnc(C#N)n2)cc1C 69518937 JNAMEVVCYFOZKG-UHFFFAOYSA-N 258.350 2.559 30 40 CFEB N#Cc1c(N2CCC[C@H](C(F)(F)F)C2)nc2ccccn12 181304422 YQVARDIJUBHYSW-JTQLQIEISA-N 294.280 2.985 30 40 CFEB O=[N+]([O-])c1ccc(NN=C2Cc3ccccc32)c([N+](=O)[O-])c1 245240402 PXGLBEHXEGXBEJ-UHFFFAOYSA-N 298.258 2.875 30 40 CFEB C[C@H](Oc1cccc(/C=C/C(=O)c2cccnc2)c1)C(=O)O 69620824 FQIPCKKYCITQRF-GUOLPTJISA-N 297.310 2.830 30 40 CFEB CCCCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 1307258393 FVWFVMJEUNMIOL-UHFFFAOYSA-N 267.203 2.785 30 40 CFEB O=C1C(=O)c2ccccc2/C1=C/c1ccc([N+](=O)[O-])cc1 2053441 JGQKBCHITJHDAT-ZROIWOOFSA-N 279.251 2.901 30 40 CFEB C/C(=N\N=C(\N)S)c1cccc(C(F)(F)F)c1 13474221 TZKDKVOAUCBYJK-GIDUJCDVSA-N 261.272 2.674 30 40 CFEB Oc1cc(Br)ccc1/C=N/Nc1ccccn1 5594510 KYXALUFUJDPWOY-OVCLIPMQSA-N 292.136 2.996 30 40 CFEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/n3cnnc3)cc21 208201240 XYYZPSJICPEVEO-DKSCHZSNSA-N 283.379 2.882 30 40 CFEB NC1=C(c2ccc(F)cc2)C(=O)c2ccccc2C1=O 552023 WDAGWOWSJZSZJG-UHFFFAOYSA-N 267.259 2.575 30 40 CFEB N#Cc1ccc(N[C@@H]2c3ccccc3C[C@H]2O)cc1 1695671 VEJVFBVGHOEGLV-HZPDHXFCSA-N 250.301 2.628 30 40 CFEB O=C1C=C(Nc2ccccc2C(=O)O)c2ccccc2C1=O 3151228 DKNWWFXZRIJCFI-UHFFFAOYSA-N 293.278 2.603 30 40 CFEB CC1=[N+](CC(=O)c2ccc(C)cc2)CCn2c(C)ccc21 1836196 CDQFVYLVFJPTBH-UHFFFAOYSA-N 281.379 2.823 30 40 CFEB C=CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 95455004 UYGRKLUFUQEONE-CYBMUJFWSA-N 297.362 2.504 30 40 CFEB N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1CO 48865511 SHUVCZFKJWLNTC-LLVKDONJSA-N 270.254 2.538 30 40 CFEB O=C1O[C@H](c2ccccc2)/C(=C(\O)c2ccccc2)C1=O 13118534 LCWBQQRACPYPKI-OMACXJQVSA-N 280.279 2.823 30 40 CFEB Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1F 16130538 ACTXDSIJHGJAHW-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB CCSc1ccc(C(=O)N(C)[C@@H](C)CC#N)cn1 69847687 HAEWBUJOFKVLHI-JTQLQIEISA-N 263.366 2.568 30 40 CFEB CCCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(C)cc1 225860496 DOUWZBMJIJZGLK-UHFFFAOYSA-N 296.374 2.842 30 40 CFEB C=C(c1ccccc1)[C@H](CO)NC(=O)OC(C)(C)C 136795438 FRCMXAPYVHJEOY-ZDUSSCGKSA-N 263.337 2.585 30 40 CFEB Cc1cccc(NC[C@H]2CCN(c3ncccc3C#N)C2)n1 97200996 LHDWDYTVBDHFRY-CQSZACIVSA-N 293.374 2.595 30 40 CFEB CS[C@H]1CCC[C@H](NC(=O)C2(C#N)CCCC2)C1 98010341 ICGIOPJBBKONOC-RYUDHWBXSA-N 266.410 2.861 30 40 CFEB CC1(Cc2cn(CCC#N)c3ccccc23)OCCO1 2273382 GBCQTBZAGQKBSG-UHFFFAOYSA-N 270.332 2.860 30 40 CFEB Cc1ccc(CNC(=O)CO/N=C/c2ccccc2C)cc1 23658491 GGGHNTFZDJQKFF-UDWIEESQSA-N 296.370 2.970 30 40 CFEB N#Cc1cccc(F)c1-c1[nH]c(C=O)nc1Br 1857794923 WJKXBUPVDXSHAJ-UHFFFAOYSA-N 294.083 2.662 30 40 CFEB N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1C(N)=O 95429704 HDBXOHZDODJCNU-PWSUYJOCSA-N 297.280 2.643 30 40 CFEB CCn1c(SCC#N)nnc1-c1cccc(C)c1 2631718 BVBSKFVCOKXUNP-UHFFFAOYSA-N 258.350 2.889 30 40 CFEB CCN(CC(=O)NC1(C#N)CCCC1)Cc1cccs1 24740287 KCWONBJIFPRCER-UHFFFAOYSA-N 291.420 2.523 30 40 CFEB COCc1ccc(/C=N/c2ccc(C(=O)O)cc2)o1 59522903 ZUSPHXHLEGAUOR-OVCLIPMQSA-N 259.261 2.875 30 40 CFEB C=CCNC(=O)CS[C@H]1CCc2ccccc2N=C1O 12321301 QDMJRXLQXBQTHM-ZDUSSCGKSA-N 290.388 2.625 30 40 CFEB Cc1ccccc1S(=O)(=O)/N=C(\O)CC[C@@H]1CCCO1 48426732 YUMQHJCUQYYEPU-LBPRGKRZSA-N 297.376 2.599 30 40 CFEB N#Cc1c2c(c(=S)n(C[C@H]3CCCO3)c1N)CCCC2 13623885 OTWXNQJUPBKZOH-SNVBAGLBSA-N 289.404 2.729 30 40 CFEB CN(C)S(=O)(=O)c1cccc(/N=C/c2cccs2)c1 5517110 HZXQONTZURSYKO-GXDHUFHOSA-N 294.401 2.749 30 40 CFEB C/C(=N\Nc1ccc2nncn2n1)c1ccc(Cl)s1 4898674 BFTMBMFSXULNAG-VGOFMYFVSA-N 292.755 2.675 30 40 CFEB CN(C)Cc1ccccc1CNC(=O)c1ccc(C#N)cc1 6992467 RSXBNKVQBLITNT-UHFFFAOYSA-N 293.370 2.550 30 40 CFEB OC1(C#CCN2CCCC[C@H]2c2cccnc2)CCCC1 55243736 MQNVBNMTCBVWDQ-KRWDZBQOSA-N 284.403 2.917 30 40 CFEB biogenic C[C@H]1CCCN(c2cc(C#N)c(Br)cn2)C1 91366358 TYHFLFSMTONRII-VIFPVBQESA-N 280.169 2.952 30 40 CFEB CC(C)(C)OC(=O)Nc1cnc(F)cc1C(=O)CC#N 142224429 CEUDEXVPPXNAKC-UHFFFAOYSA-N 279.271 2.664 30 40 CFEB C[C@@H]1C[C@]2(C3CC3)O[C@@H]2CN1C(=O)OC(C)(C)C 252495677 OVOINZNDAVIGKA-GLXFQSAKSA-N 253.342 2.563 30 40 CFEB Cc1nc2cc(NN=C3C(=O)CCCC3=O)ccc2s1 87507 KGNLUXIGIVEGOS-UHFFFAOYSA-N 287.344 2.695 30 40 CFEB C=CCCCCCCCC[C@@H](C(=O)O)[C@H](O)CC(=O)O 31166418 ZFABEUFWUOOQMI-CHWSQXEVSA-N 286.368 2.830 30 40 CFEB biogenic,in-vitro S/C(=N\N=C\c1ccccn1)Nc1ccccc1 1969769 JHWPKWSWTSDZLG-XNTDXEJSSA-N 256.334 2.813 30 40 CFEB C=CCC[C@H](O)CN1CCCN(Cc2ccccc2)CC1 33916794 LKQAEEZQANXPAS-SFHVURJKSA-N 288.435 2.521 30 40 CFEB COc1ccc(/C(COc2ccccc2O)=N\O)cc1 105889720 NVBHLAWLENRIPX-SSZFMOIBSA-N 273.288 2.658 30 40 CFEB O=C(O)c1cccc(N/N=C2\C(O)=Nc3ccc(F)cc32)c1 6673825 NCWCXJJJODYPOA-UHFFFAOYSA-N 299.261 2.942 30 40 CFEB C=CCc1c(I)ccnc1F 44137478 FRJNAQONKJGNET-UHFFFAOYSA-N 263.053 2.554 30 40 CFEB N#Cc1ccc(COC(=O)COc2ccccc2)cc1 3237577 GMSJIGTYAWKQCU-UHFFFAOYSA-N 267.284 2.680 30 40 CFEB C#CCCOC(=O)c1cc(OC)c(OC)cc1Cl 95436830 IUGXDSVELXDRFY-UHFFFAOYSA-N 268.696 2.537 30 40 CFEB CC(C)/C(N)=N/OCCOc1cccc(Cl)c1 95941857 PUILOTDFZWUHDO-UHFFFAOYSA-N 256.733 2.664 30 40 CFEB O=C1COc2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2N1 5335686 LPJVDRJOPMNTRY-XVNBXDOJSA-N 295.294 2.619 30 40 CFEB CC[C@H](C#N)NC(=O)Cc1ccc(OCC(C)C)cc1 71883303 NDNDCRKCRNQQMC-CQSZACIVSA-N 274.364 2.682 30 40 CFEB N#Cc1nccnc1N1CCC[C@]2(CC=CCC2)C1 71907739 BHRORASGDBLUGR-OAHLLOKOSA-N 254.337 2.675 30 40 CFEB CCCC/N=C(/NCCOc1ccccc1)NC1CC1 72271923 WDARQMTUZCMCNJ-UHFFFAOYSA-N 275.396 2.563 30 40 CFEB CCOC(=O)/C(C)=N/Nc1ccc(Br)cc1 34747020 GLSYARFJOAOUKJ-MDWZMJQESA-N 285.141 2.800 30 40 CFEB Cc1ccc(CNC(=O)CSc2ncccc2C#N)cc1 71326944 UGEPVOVIHFMKJZ-UHFFFAOYSA-N 297.383 2.670 30 40 CFEB C=CCNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222600564 CMLJSRCSKGXSHH-UHFFFAOYSA-N 273.723 2.713 30 40 CFEB C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)on1 49424980 YPHKOJSDQWHDHU-NSHDSACASA-N 269.304 2.573 30 40 CFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(C(=O)O)cc1 64926301 OMLVRNRIMIYMPR-RMKNXTFCSA-N 284.315 2.631 30 40 CFEB N#Cc1ccc(SCC(=O)NC2CCCC2)cc1 65607806 FIJRJNHQCMRKMF-UHFFFAOYSA-N 260.362 2.709 30 40 CFEB CC1(C)OB(C2=C(Cl)C(=O)CCC2)OC1(C)C 1772715286 PMZORASIHVXFHK-UHFFFAOYSA-N 256.538 2.864 30 40 CFEB COc1ccc(-c2nnc(S[C@H](C)C#N)o2)cc1OC 5019407 HBOFNXHDDOASMU-MRVPVSSYSA-N 291.332 2.758 30 40 CFEB CC1=CC(C)(C)N(C)c2ccc(/C=N/n3cnnc3)cc21 208439497 FCNITBYTLQITBR-DJKKODMXSA-N 281.363 2.792 30 40 CFEB Cc1cccc(N2CCN(c3ncccc3C#N)CC2)c1 16738962 FDPMOJPHUBPVDP-UHFFFAOYSA-N 278.359 2.588 30 40 CFEB Cc1sc(NC(=O)c2cc(C)n(C)n2)c(C#N)c1C 9001876 YOSKUOPGIAVRLA-UHFFFAOYSA-N 274.349 2.531 30 40 CFEB CC(=O)N1/C(=C\NCc2ccccc2)C(=O)c2ccccc21 100306310 MNKXWNVLUQYZQL-ATVHPVEESA-N 292.338 2.867 30 40 CFEB C[C@H](C#N)OC(=O)Cc1coc2cc3c(cc12)CCC3 21254692 OUYGJULKJIUJCC-SNVBAGLBSA-N 269.300 2.919 30 40 CFEB C[C@]1(C(=O)/C=C/c2cccc(Br)c2)CO1 501479 UJWJSSSQRFJLKR-BTDICHCPSA-N 267.122 2.820 30 40 CFEB COc1ccc2nc(NC(=O)C3(C#N)CCC3)sc2c1 78818589 YVYNBADSPRYCKG-UHFFFAOYSA-N 287.344 2.937 30 40 CFEB CN(C[C@@H]1CCOC1)c1cc(Cl)ccc1C#N 79017283 VDXWGGYVXDDPFZ-JTQLQIEISA-N 250.729 2.684 30 40 CFEB N#Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 105709464 GBBQQUJXLQLAJR-WBRVRECLSA-N 298.729 2.523 30 40 CFEB CCCN(CC#N)C(=O)Cc1ccc(-n2cccc2)cc1 59934064 OFOGBBZDZBFSLY-UHFFFAOYSA-N 281.359 2.782 30 40 CFEB C=CCNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 48488174 YWYLHQBXNDHFMA-UHFFFAOYSA-N 273.336 2.651 30 40 CFEB C[C@@H](C#N)OC(=O)COc1ccc2ccccc2c1 7707214 CFJLWKFVNMKKFU-NSHDSACASA-N 255.273 2.674 30 40 CFEB CCC(CC)CS(=O)(=O)/N=C(\O)c1ccoc1C 79037185 OQXLELNRMHBRRB-UHFFFAOYSA-N 273.354 2.659 30 40 CFEB C=CCO[C@H]1CO[C@@]2(CCCN(Cc3ccco3)C2)C1 96048182 UQMAUUUBYRDXCQ-CVEARBPZSA-N 277.364 2.606 30 40 CFEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCOCC1 96346534 QFDQBGDJUXOQFL-KBPBESRZSA-N 295.342 2.654 30 40 CFEB N#Cc1cc([N+](=O)[O-])cnc1Oc1cncc(Cl)c1 96413751 AWLVAIYZLAGRBR-UHFFFAOYSA-N 276.639 2.702 30 40 CFEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2)n1 585290918 XUWCSVINGVZLEM-CQSZACIVSA-N 294.362 2.610 30 40 CFEB C#CCC[C@@H](CC)OC(=O)c1ccc2c(c1)OCO2 79111822 SNJFEXSHMMIRDB-GFCCVEGCSA-N 260.289 2.764 30 40 CFEB COc1ccc(NC(=O)CSCC#N)cc1Cl 40072644 KWRLJXDHPSOXIT-UHFFFAOYSA-N 270.741 2.544 30 40 CFEB CC[C@H](OC1CCCCC1)C(=O)N[C@]1(C#N)CCSC1 96473956 HCJPOKVGYBEFJS-ZFWWWQNUSA-N 296.436 2.630 30 40 CFEB N#Cc1ccc(NCCCOC[C@@H]2CCCO2)c(F)c1 96429093 XCUMDPPXCBOCNC-ZDUSSCGKSA-N 278.327 2.695 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc3c(c2)OCCO3)cc1 5006148 RUQQDPKJBXRSGD-MHWRWJLKSA-N 299.286 2.812 30 40 CFEB Cc1ccc([N+](=O)[O-])c2c3c([nH]c12)/C(=N/CCO)CCC3 12447442 OOHBCQJJKHFVSH-LFIBNONCSA-N 287.319 2.502 30 40 CFEB C/C(=N\C1=NCCS1)c1cc2ccccc2oc1=O 5369858 NZEKUYQBVFNHHT-CXUHLZMHSA-N 272.329 2.705 30 40 CFEB CCc1ccc(C(=O)NCc2ccc(C#N)cc2)o1 40082258 JNQMGBCXBTYCBJ-UHFFFAOYSA-N 254.289 2.644 30 40 CFEB O/N=C/c1ccccc1OCc1cn2ccccc2n1 100611063 AOYSLDHTDNNBDE-CXUHLZMHSA-N 267.288 2.721 30 40 CFEB in-vitro CC1(C)CC(=O)C2=C(C1)NC(=O)[C@H](C#N)[C@H]2c1ccccc1 493824 NGUXDLYFLLKSTH-IUODEOHRSA-N 294.354 2.683 30 40 CFEB COc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1 551209 TZHJFBMICWNXAF-UHFFFAOYSA-N 255.277 2.796 30 40 CFEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CC1 103513104 ODFJPBUFAZSYTP-GFCCVEGCSA-N 266.300 2.778 30 40 CFEB O=C1C(O)=C(c2ccccc2)C(=O)[C@@H]1c1ccccc1 1676022 WMLXOCOPLNBTDN-ZDUSSCGKSA-N 264.280 2.891 30 40 CFEB C[C@H](C#N)OC(=O)c1csc(-c2ccsc2)n1 25186097 XVOTYJOIDLKFIE-SSDOTTSWSA-N 264.331 2.940 30 40 CFEB Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)no1 2761182 SILJVZMMVDANKR-UHFFFAOYSA-N 294.126 2.754 30 40 CFEB C=CCNC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 71803096 DQZABFILIJNXNA-CYBMUJFWSA-N 280.755 2.609 30 40 CFEB C=C(C)COc1cc(CN2CCC[C@@H](O)C2)ccc1OC 95982269 AGSDRIYEXMWSQT-OAHLLOKOSA-N 291.391 2.607 30 40 CFEB CCOC(=O)[C@H]1O[C@@]1(C)c1ccccc1Br 85657689 IXZIMBBAFVJART-PWSUYJOCSA-N 285.137 2.626 30 40 CFEB Cc1ocnc1C(=O)OC[C@@H](C#N)Cc1cccs1 89293630 ZMTLTWFHRQSWBU-SNVBAGLBSA-N 276.317 2.584 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccc(N(C)C)o2)SC1=S 408817260 VNVHZEVCZRDWMD-NTMALXAHSA-N 294.401 2.733 30 40 CFEB CCNC(=NCc1ccccc1OC1CCC1)NCC 195530454 RNFIIAJNMRFMJQ-UHFFFAOYSA-N 275.396 2.693 30 40 CFEB C=CCN1CCC[C@]12CCCN(C(=O)c1cccc(C)n1)C2 96214695 YUTWPBGKEPZTTB-SFHVURJKSA-N 299.418 2.647 30 40 CFEB C/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 96404658 PFAYVWFORWQUFO-UHFFFAOYSA-N 285.218 2.510 30 40 CFEB CCCN(CCC)c1nn(-c2ccccc2)nc1C#N 256048899 WYJCIIZFLOYRAU-UHFFFAOYSA-N 269.352 2.765 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1ccc(OC(C)C)c(Cl)c1 100969512 LLJCBSILUPJKLV-GHXNOFRVSA-N 298.722 2.925 30 40 CFEB Fc1cccc(Cl)c1/C=N/Nc1ncnc2[nH]cnc12 4106447 XMNWTHZWLOHIMT-RMOCHZDMSA-N 290.689 2.591 30 40 CFEB Cc1ccncc1C/N=C/c1cccc([N+](=O)[O-])c1 18085115 WRCZGLXWWHHZIJ-LZYBPNLTSA-N 255.277 2.917 30 40 CFEB CCN(CC)c1nc(-c2ccccc2)c(C#N)c(N)c1C#N 96336629 NPZNVNKOWZGZRD-UHFFFAOYSA-N 291.358 2.920 30 40 CFEB CC/N=c1/scc(C)n1/N=C/c1cccs1 103457582 MUZOPRVRGLGGSZ-UBKKISCZSA-N 251.380 2.722 30 40 CFEB CC(C)(C)C(=O)ONC(=O)c1ccc(Cl)cc1 1395533 ILSTVQZTFBZWSM-UHFFFAOYSA-N 255.701 2.574 30 40 CFEB N#Cc1c(F)cccc1NCc1ccnc(-n2cccn2)c1 25499546 MCQYSVOXWPVPPD-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1ccccc1 58244834 GQPZRZMSMIAJBC-KRWDZBQOSA-N 287.407 2.566 30 40 CFEB N#Cc1cc(C#N)c(S[C@H]2C=CCCC2)nc1N 20528339 DZANITJRWXPXSI-NSHDSACASA-N 256.334 2.608 30 40 CFEB COC1=C/C(=N\Br)C=C/C1=N\Br 104224457 JWIJZVGXGSQZDI-JZKFVHIFSA-N 293.946 2.588 30 40 CFEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 20637345 BNBOVZDOQNBGRD-SWLSCSKDSA-N 288.310 2.718 30 40 CFEB N#Cc1ccc(NCCOc2ccc(C#N)cc2)cc1 48391774 DCRPHBITJQIDSA-UHFFFAOYSA-N 263.300 2.921 30 40 CFEB C=CCn1nnc2sc(-c3ccccc3)cc2c1=O 5009936 OVSYBIKPPITMPP-UHFFFAOYSA-N 269.329 2.706 30 40 CFEB CCc1nc(N2CCN(CC)CC2)c(C#N)c2c1CCCC2 6759852 GNTHEVYEXYCKAU-UHFFFAOYSA-N 298.434 2.536 30 40 CFEB CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1 4802755 MYMPWMRYZURXNI-UHFFFAOYSA-N 271.316 2.656 30 40 CFEB CCCCn1c(SCc2ccc(C#N)cc2)n[nH]c1=O 7345273 SZYVAZCOIMMALS-UHFFFAOYSA-N 288.376 2.535 30 40 CFEB CCOC(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 8097656 SOCMGDHZXBLCLI-UHFFFAOYSA-N 294.310 2.987 30 40 CFEB CCn1c(C)nnc1Sc1ccc(C#N)cc1[N+](=O)[O-] 69434678 HBJNGPZYFWBUQN-UHFFFAOYSA-N 289.320 2.538 30 40 CFEB CC(C)N1CCC(Nc2ccc(C#N)cc2F)CC1 69518383 HYOXKMOCHJICER-UHFFFAOYSA-N 261.344 2.982 30 40 CFEB N#CC1(NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 95433733 NGOGHRADPBEBLM-UHFFFAOYSA-N 282.265 2.967 30 40 CFEB CC(C)N(CC#N)C(=O)c1ccc(F)c(Cl)c1F 97050465 ICFKKRGMLRAXMK-UHFFFAOYSA-N 272.682 2.992 30 40 CFEB COc1cccc(CCC(=O)Nc2ccncc2C#N)c1 72288597 VQTOVIMWFYWSAM-UHFFFAOYSA-N 281.315 2.533 30 40 CFEB CCOc1ccc(/C=N/Nc2nccs2)cc1OC 31854324 PGUMBRTYNVNPQL-OQLLNIDSSA-N 277.349 2.996 30 40 CFEB N#CCN(c1cccc(CO)c1)C1Cc2ccccc2C1 279387723 UBDIEBDNBJHVBY-UHFFFAOYSA-N 278.355 2.676 30 40 CFEB CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C=O 390823230 WIEJGYULKYNWKB-KBPBESRZSA-N 275.348 2.979 30 40 CFEB CCO[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C12CCC2 195535346 YQUPAZSJXYTCKN-KGLIPLIRSA-N 257.337 2.713 30 40 CFEB Cc1cc(C)n(CCCNc2ncc(C#N)cc2Cl)n1 75582457 JHAOYPJVFZXQCO-UHFFFAOYSA-N 289.770 2.922 30 40 CFEB C=CCOC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 5382792 BPIMUDWIBMXRGS-OLZOCXBDSA-N 254.713 2.957 30 40 CFEB O=C(C#Cc1ccccc1)NC/C=C/c1ccccc1 1556112 DLPPTWSFKHLIFX-KPKJPENVSA-N 261.324 2.868 30 40 CFEB CCC[C@H]1C(=O)C[C@@H](C(C)C)C(C#N)(C#N)C1(C#N)C#N 127631 GOOSRBXROIWFPI-STQMWFEESA-N 282.347 2.715 30 40 CFEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(F)cc1 551796 DVEIYPRHMCYOKE-VCHYOVAHSA-N 281.290 2.726 30 40 CFEB CCc1nnc(S)n1/N=C/C1=CC[C@H]2C[C@@H]1C2(C)C 24037311 SHUBJSLWSGLJQH-AVVOLDSFSA-N 276.409 2.956 30 40 CFEB C=CCNc1nc(CCC)nc2c(C)nn(CC)c12 57355863 AEPPBJGJPTVXMJ-UHFFFAOYSA-N 259.357 2.705 30 40 CFEB C=CCN1C(=O)COc2ccc(NC(=O)CC(C)C)cc21 12119970 GNEIREJSBVYLNY-UHFFFAOYSA-N 288.347 2.583 30 40 CFEB CC(C)(C)Oc1ccc(C(=O)/C=C(\O)C(=O)O)cc1 106679719 CRPYSOVPJODGPN-WQLSENKSSA-N 264.277 2.573 30 40 CFEB Cc1ccc(C(=O)NCC#Cc2ccccc2)s1 12881336 YAFARCIZHFQWEN-UHFFFAOYSA-N 255.342 2.838 30 40 CFEB C/C=C/c1ccc(OCC(=O)O[C@H](C)C#N)c(OC)c1 6176513 LBBNJKRWTUXVKF-SGUJLRQBSA-N 275.304 2.562 30 40 CFEB N#Cc1ccc(C(=O)OCCOc2ccccc2F)cc1 6637779 XQTSXTRDGNCALG-UHFFFAOYSA-N 285.274 2.933 30 40 CFEB CCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 97955119 HTJJJWVCCMLATR-CYBMUJFWSA-N 262.415 2.941 30 40 CFEB C=C(C)CSc1nc(C)c(CC(=C)C)c(=O)[nH]1 18178285 KYILTJNEFZECHG-UHFFFAOYSA-N 250.367 2.865 30 40 CFEB CO[C@]1(C)C[C@H](NC(=O)c2cccc(CC#N)c2)C1(C)C 73257253 GNULYVFTGZGHQH-WMLDXEAASA-N 286.375 2.686 30 40 CFEB COc1ccc2ccccc2c1C/N=C(\N)N(C)C1CC1 181461967 MNPBXEVEEWVGDB-UHFFFAOYSA-N 283.375 2.757 30 40 CFEB C#CCOC(=O)c1ccc(-c2ccc(N)cc2C)o1 73640347 CDAIOAQIPXVHKI-UHFFFAOYSA-N 255.273 2.627 30 40 CFEB COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C#N 225783824 YSBYEAAFOSZKPO-UHFFFAOYSA-N 293.537 2.876 30 40 CFEB Cc1cccc(C2(CN/C(N)=N/C3CC3)CCCC2)c1 69557563 MHZIISMROLJUSL-UHFFFAOYSA-N 271.408 2.874 30 40 CFEB CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n1 89894012 XOFNFVRNKYTHMK-NWDGAFQWSA-N 284.319 2.671 30 40 CFEB N#Cc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 42251303 KLYFALREGDUHSA-JKSUJKDBSA-N 256.349 2.702 30 40 CFEB N#Cc1cccc(C(=O)N2CCC3(CC2)CC3(F)F)c1 404718481 CDHXQXALKJUMFA-UHFFFAOYSA-N 276.286 2.820 30 40 CFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)CC(C)C)c1 103503997 UFZJWNSVNRNIAA-CYBMUJFWSA-N 258.321 2.689 30 40 CFEB CN(CCc1nccs1)C(=O)C1(C#N)CCCCC1 95435424 SECCYJVETDMLDR-UHFFFAOYSA-N 277.393 2.618 30 40 CFEB CN1CCN(/N=C/c2ccc(C(C)(C)C)cc2)CC1 6212226 NJLHGNOXGWDNPC-GHRIWEEISA-N 259.397 2.565 30 40 CFEB C[C@H](Nc1nnnn1-c1ccccc1)c1ccc(C#N)cc1 42099873 CGPNNRPSOFNTIY-LBPRGKRZSA-N 290.330 2.707 30 40 CFEB C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 3564862 PBBJKQWIPUSHPX-LLVKDONJSA-N 291.782 2.882 30 40 CFEB COc1ccccc1CC(=O)Nc1cccc(C#N)c1 3347537 INHLSYCZNOWRHQ-UHFFFAOYSA-N 266.300 2.748 30 40 CFEB N#Cc1sc(NCc2ccccn2)nc1Cl 4054570 KIHVGPIMBXSYFF-UHFFFAOYSA-N 250.714 2.675 30 40 CFEB CCc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1 5110606 SABMJVZDCUBQDY-GIJQJNRQSA-N 270.332 2.901 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccccn1 5688299 ILYSZWJHVXJCMS-UHFFFAOYSA-N 268.276 2.516 30 40 CFEB C=CCOc1ccc(/C=N/O)cc1Br 408945878 XQUCAKCCCXMCKZ-KPKJPENVSA-N 256.099 2.822 30 40 CFEB N#Cc1ccc(Cl)cc1N1CCC[C@@H](C2OCCO2)C1 71914515 XXTFNJISHPZYEY-GFCCVEGCSA-N 292.766 2.801 30 40 CFEB CN(C(=O)c1cc(F)c(F)c(F)c1)C1(C#N)CCC1 69418859 GSUPFILUJRWGIF-UHFFFAOYSA-N 268.238 2.622 30 40 CFEB CN(C(=O)c1cccc(F)c1F)c1ncccc1C#N 97085615 PLOSFAZTQWOBQV-UHFFFAOYSA-N 273.242 2.508 30 40 CFEB COC[C@H](Nc1ccc(C#N)nc1)c1ccc(C)o1 195536175 OYPKSQHPGWJBMZ-ZDUSSCGKSA-N 257.293 2.654 30 40 CFEB CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 225324609 IHQBAECYEZITDQ-CYBMUJFWSA-N 277.295 2.520 30 40 CFEB C=C(C)CN(CC)S(=O)(=O)c1ccc(C#N)c(Cl)c1 48374292 UGIRNXHLKBSJPV-UHFFFAOYSA-N 298.795 2.798 30 40 CFEB CC(C)Cn1nc(Cc2cccc(F)c2)c(C#N)c1N 225834465 CCEXYMQDQCKASL-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)CNc1cc(F)c(F)cc1F 97236923 QYDZCSPQGXOXDY-VIFPVBQESA-N 299.296 2.524 30 40 CFEB C#Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 97097138 DFCMBJVVPNEKDB-UHFFFAOYSA-N 296.282 2.558 30 40 CFEB C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(C#N)ccn1 283875415 UYXQJTIMKSNVDJ-IUODEOHRSA-N 267.332 2.877 30 40 CFEB C[C@H](O)c1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1 53755971 CFVHDQOOJCKDJU-LBPRGKRZSA-N 295.342 2.933 30 40 CFEB C/C(=N/c1ccc(C)cc1N)c1c(O)cc(C)oc1=O 17141814 OBXLDDGCQPFWQD-YVLHZVERSA-N 272.304 2.685 30 40 CFEB CC1(C)OB(c2ccc3ccncc3c2)OC1(C)C 169745292 SIHZUSQPCJZIQR-UHFFFAOYSA-N 255.126 2.534 30 40 CFEB COc1cccc([C@@H](O)COc2ccc(C#N)cc2F)c1 154268027 VTPMCNBMIMDFFM-HNNXBMFYSA-N 287.290 2.818 30 40 CFEB CCCc1cc(=O)c2c(OC[C@@H]3CO3)ccc(OC)c2o1 157826 OBWCHYPBSJDAEV-NSHDSACASA-N 290.315 2.532 30 40 CFEB Cc1ccc(F)c(NS(=O)(=O)c2cccc(C#N)c2)c1 7428510 CMUMUQDPUCECDU-UHFFFAOYSA-N 290.319 2.807 30 40 CFEB Cc1ccoc1C(=O)N(C)Cc1cccc(C#N)c1 25103809 BJKRYCDWOWXJAR-UHFFFAOYSA-N 254.289 2.732 30 40 CFEB COC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 16917338 SLBCBFVXEKHESA-UHFFFAOYSA-N 280.283 2.546 30 40 CFEB COC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1 566986 NYHLFRDYZLACTM-CXUHLZMHSA-N 271.272 2.635 30 40 CFEB C=CCNC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F 97235775 RTAAKCFPNXFLBE-NSHDSACASA-N 288.269 2.784 30 40 CFEB O=C1C=Cc2ccc(N3CCOCC3)c3cccc1c23 810916 LTCVONCEGNXSTA-UHFFFAOYSA-N 265.312 2.886 30 40 CFEB O=C(O/N=C1/CCCCCN1)c1ccc(Cl)cc1 3164067 LMEPYNNZHODNKD-UHFFFAOYSA-N 266.728 2.974 30 40 CFEB CCCS(=O)(=O)/N=C(\O)C(C)(C)c1ccccc1 78868925 MKFPHDKUEOTLBB-UHFFFAOYSA-N 269.366 2.661 30 40 CFEB C=CCOc1c(Cl)cc(CNCCCNC)cc1OC 7525140 QRNJWNTVQKBGSV-UHFFFAOYSA-N 298.814 2.613 30 40 CFEB CCn1c(CN(C)c2ccc(C#N)cn2)nc2ccccc21 58181091 MXOFQOOTXFREHZ-UHFFFAOYSA-N 291.358 2.959 30 40 CFEB Cc1nc(/N=C(/N)NCc2ccccc2)nc2ccccc12 58885978 ZUSRIYLXXOLPTH-UHFFFAOYSA-N 291.358 2.674 30 40 CFEB CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 95994031 BEHOMFIYSOLWIF-HIFRSBDPSA-N 289.379 2.600 30 40 CFEB CN(C)/C=C/c1cc(C#N)c(C#N)cc1Br 78547678 COXJPCXNCSKRJG-ONEGZZNKSA-N 276.137 2.725 30 40 CFEB C#CCN(C(=O)c1cccc2cc[nH]c12)c1nccs1 78972506 JEULJIIVCYEWDC-UHFFFAOYSA-N 281.340 2.904 30 40 CFEB C=CCNC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224842737 MISOGKPGXFAUMT-UHFFFAOYSA-N 286.331 2.585 30 40 CFEB C=CC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)O 223817982 MYLSVBJPATYTOW-YRNVUSSQSA-N 278.304 2.757 30 40 CFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(C)c(C)cc2C)C(=O)O1 102500281 IHSYLMREHRFCQP-FUTAKVPZSA-N 298.338 2.840 30 40 CFEB CC1(C)OB(c2ccc(-c3cocn3)cc2)OC1(C)C 206172579 OXBZCRQCRVWTLY-UHFFFAOYSA-N 271.125 2.641 30 40 CFEB COc1ccc(Br)c2c1/C(=N/OC(C)=O)CC2 6296223 CFUHZGWOHXKDRN-GXDHUFHOSA-N 298.136 2.671 30 40 CFEB C=CCCC(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888842919 FVLVJCQVDNXCGT-STQMWFEESA-N 259.353 2.544 30 40 CFEB Cc1ccc(NC(=O)COc2cccc(C#N)c2)cc1 12750914 UZLXWKREZNNMMW-UHFFFAOYSA-N 266.300 2.884 30 40 CFEB CCO/C=C(/C(C)=O)S(=O)(=O)c1ccc(Cl)cc1 2170058 KKJFBPCKVYIRGR-WQLSENKSSA-N 288.752 2.581 30 40 CFEB S=C(N/N=C\c1cccs1)N/N=C/c1cccs1 4758169 NLVSQWCSDRRMRQ-HAKHBUOSSA-N 294.430 2.642 30 40 CFEB Cc1nc(CO/N=C(/N)c2cccc(Cl)c2)oc1C 58342460 CUUCUDQWFQEQEC-UHFFFAOYSA-N 279.727 2.782 30 40 CFEB O=C1CCCCC/C1=C\NCc1ccc2c(c1)OCO2 109784197 QSAKJGNIMYGMFC-JLHYYAGUSA-N 273.332 2.922 30 40 CFEB Cc1ccc2c(c1)CCCN2CC(=O)NC1(C#N)CCCC1 7494313 ONSINNVXKRQUCF-UHFFFAOYSA-N 297.402 2.700 30 40 CFEB CCN(CC#N)C(=O)CCc1ccc(Br)cc1 96451196 LSHQYPSSHKSBBJ-UHFFFAOYSA-N 295.180 2.754 30 40 CFEB C=CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220826 OMJDSHVUDUJASX-AWEZNQCLSA-N 292.810 2.854 30 40 CFEB CC(C)c1nc([C@H]2CCCN2c2ncccc2C#N)no1 75573003 GPCSRKDAYCOJJU-GFCCVEGCSA-N 283.335 2.801 30 40 CFEB C#Cc1cccc(OCC(=O)c2ccccc2OC)c1 199743989 WZYVHWLESGRQCR-UHFFFAOYSA-N 266.296 2.938 30 40 CFEB O=C1/C(=C/c2cnc(N3CCCC3)nc2)Cc2ccccc21 47880646 SQHXPIMOMHEAPB-OQLLNIDSSA-N 291.354 2.899 30 40 CFEB O=C(O)CCC#CCCCCCC#CCCC(=O)O 247394392 MAKQGFVEWPTMEN-UHFFFAOYSA-N 264.321 2.673 30 40 CFEB C=C(C)CN(CC(=C)C)C(=N)OC[C@H]1CCCO1 5426833 IHQKLPHKVUQNON-CYBMUJFWSA-N 252.358 2.571 30 40 CFEB C=CCNC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 161422032 RUPZKIYVSWEGRQ-SECBINFHSA-N 291.763 2.859 30 40 CFEB N#Cc1ccc(NC(=O)COc2cccc(F)c2)cc1 3350646 NLJHHXYFYSKWDJ-UHFFFAOYSA-N 270.263 2.715 30 40 CFEB CCC[C@H]1C(=O)C[C@H](C(C)C)C(C#N)(C#N)C1(C#N)C#N 127638 GOOSRBXROIWFPI-QWHCGFSZSA-N 282.347 2.715 30 40 CFEB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(C#N)cc1 30264557 HZNCIDUEOLTQMO-VFNNOXKTSA-N 291.354 2.976 30 40 CFEB N#Cc1ccc(NCc2ccc(N3CCCC3=O)cc2)nc1 40024881 FSIJGTNXRKKDRH-UHFFFAOYSA-N 292.342 2.692 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc(O)cc2)C(=O)C1 100509032 QSZRPVISCJIQEY-UHFFFAOYSA-N 259.305 2.646 30 40 CFEB N#Cc1ccc(NCCc2cc(F)cc3c2OCOC3)nc1 52049110 ZFXKVJCHGQDLRR-UHFFFAOYSA-N 299.305 2.613 30 40 CFEB CN(CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 54339284 PRIAGQZDFWAQPW-STQMWFEESA-N 285.174 2.797 30 40 CFEB N#Cc1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 570983 TZAIQWVDIMICCQ-UHFFFAOYSA-N 272.263 2.586 30 40 CFEB COc1cc(/C=C/C(=O)c2cccc(N)c2)ccc1O 28331106 ZUMQQRYAVWPSOP-FNORWQNLSA-N 269.300 2.879 30 40 CFEB CCc1ccc(NC(=O)[C@H](C#N)Cc2ccncc2)cc1 4127186 AVEDUTLKODMHFH-HNNXBMFYSA-N 279.343 2.965 30 40 CFEB C=CCn1cnnc1SCC(=O)c1c[nH]c2ccccc12 9460456 MLDSIMDBKDZDHO-UHFFFAOYSA-N 298.371 2.920 30 40 CFEB CCn1cc(C#N)c(=O)c2cc(Br)ccc21 69535914 DPSJZVGJAJYTQO-UHFFFAOYSA-N 277.121 2.656 30 40 CFEB CC(C)C[C@@H](C#N)NC(=O)c1ccn(-c2ccccc2)n1 69811156 DPMAMVPDCYYYDT-ZDUSSCGKSA-N 282.347 2.540 30 40 CFEB C=C[C@@H](O)C#CC#C[C@@H](/C=C/CCCCC)OC(C)=O 95933355 BSDJVZWJXREWPD-WZFZXHKMSA-N 274.360 2.608 30 40 CFEB biogenic CCNC(=S)N/N=C/c1ccccc1OCC(C)C 33690402 OSMRJPWQOBVQNV-CXUHLZMHSA-N 279.409 2.539 30 40 CFEB CCCn1cc(/C=C/C(=O)c2ccccc2O)cn1 71785101 OCXZJAWJODKMQS-BQYQJAHWSA-N 256.305 2.895 30 40 CFEB N#Cc1ccc(C(=O)Nc2nnc(-c3ccsc3)o2)cc1 49029081 ZHHYXHZITYGPSU-UHFFFAOYSA-N 296.311 2.922 30 40 CFEB COCc1nn(Cc2cccc3ccccc23)c(N)c1C#N 225848595 NYPBWPNFFXFSFS-UHFFFAOYSA-N 292.342 2.685 30 40 CFEB C=CCN(CC=C)S(=O)(=O)c1cc(C)c(C)cc1C 41091938 WBABJCHSWKOUNP-UHFFFAOYSA-N 279.405 2.975 30 40 CFEB CC(C)c1nc(Cc2ccc(NC(=O)CC#N)cc2)no1 226098422 KEBPFUHXOCTGBU-UHFFFAOYSA-N 284.319 2.636 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccsc1 96055232 PTNJUJSELDTUET-ARFHVFGLSA-N 293.432 2.930 30 40 CFEB CCOc1ccc(-n2nc(C#N)c(N3CCCCC3)n2)cc1 256048673 VKHUSIYOCJLWSW-UHFFFAOYSA-N 297.362 2.528 30 40 CFEB Cc1cc(O)nc(N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)n1 585139650 GOHVJEPTQWSJHA-LRRGCSFSSA-N 272.352 2.881 30 40 CFEB Cn1ncc(C2CC2)c1/C=C/c1ccncc1C#N 585091694 VYBUSXABEJHCOZ-SNAWJCMRSA-N 250.305 2.735 30 40 CFEB COC(=O)Nc1cccc(C(=O)O[C@H](C#N)C(C)(C)C)c1 96013294 ZEJRHXYTBNBOPR-GFCCVEGCSA-N 290.319 2.960 30 40 CFEB C[C@@H]1CN([C@H](C#N)c2cccc(Cl)c2)CCO1 106540648 KGXYJGMYSZEBFK-ZWNOBZJWSA-N 250.729 2.625 30 40 CFEB N#CCCn1cc(C=O)c(-c2ccc(Cl)cc2)n1 3188432 RXIOKFQYHVLPRN-UHFFFAOYSA-N 259.696 2.930 30 40 CFEB CC[N+](CC)(CC)CC#CC[N+](CC)(CC)CC 1732651 XLJLFPODYOZRHG-UHFFFAOYSA-N 254.462 2.743 30 40 CFEB CC/N=C1/S/C(=C/c2ccc(O)cc2)C(=O)N1CC 103439047 MCDUIOZNARXAJM-HFCGUZMISA-N 276.361 2.704 30 40 CFEB CC[C@H](O/N=C/c1ccccc1)C(=O)Nc1cc(C)on1 16338982 JCYFEXBMJCGTJC-RKPNYOAGSA-N 287.319 2.751 30 40 CFEB C=CCN1C(=O)CCc2cc(SCCC(=O)O)ccc21 218813034 DGZJERXSWJHYJE-UHFFFAOYSA-N 291.372 2.719 30 40 CFEB N#Cc1ccnc(SCc2noc(C3CC3)n2)c1 64653446 JRDRNTVAHUUSSX-UHFFFAOYSA-N 258.306 2.506 30 40 CFEB CCOC(=O)[C@@H]1O[C@]1(C)c1cccc(Br)c1 85657694 SWPUQKJOQHZAJP-CMPLNLGQSA-N 285.137 2.626 30 40 CFEB C[C@@H](C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 44699428 LXXANTDQIIXQBZ-LBPRGKRZSA-N 279.347 2.755 30 40 CFEB in-vitro N#Cc1ccc(N2CCC[C@H](Sc3ncc[nH]3)C2=O)cc1 96496690 CBBOEIIPKVVAAQ-ZDUSSCGKSA-N 298.371 2.569 30 40 CFEB N#Cc1ccc(N2CCC[C@H](COc3ccncc3)C2)nc1 1776001997 XNVHSQTZJZFVKP-HNNXBMFYSA-N 294.358 2.644 30 40 CFEB COc1ccc2c(c1)sc(N)[n+]2CC(=O)c1ccccc1 5361424 IQYMRIKTRFUHNK-UHFFFAOYSA-O 299.375 2.663 30 40 CFEB N#Cc1cccc(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 13002985 LQWDQFCKUUXHOC-UHFFFAOYSA-N 285.234 2.858 30 40 CFEB C=CCn1c(C)nnc1SCC(=O)c1ccccc1F 36397524 YZUGNUJPJUILNZ-UHFFFAOYSA-N 291.351 2.887 30 40 CFEB COc1ccc(OCc2nc(C#N)c(N3CCCC3)o2)cc1 200342 UZRGUBVIBLYDBF-UHFFFAOYSA-N 299.330 2.734 30 40 CFEB CCCC/C(=N\NC(N)=S)c1ccc(F)cc1 4804254 VFOQQBXZTJLGQX-RVDMUPIBSA-N 253.346 2.553 30 40 CFEB Cc1ccc(CCCOC(=O)C[N+]2(C)CCCC2)cc1 1812232 JHJAVMNPWYAYRK-UHFFFAOYSA-N 276.400 2.711 30 40 CFEB O=C(O)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 2561649 OZERJBZWEUIVKH-UHFFFAOYSA-N 278.263 2.847 30 40 CFEB N#Cc1cccc(CN2CCN(c3ccccc3O)CC2)c1 57312421 YCFAJVKKFMNCRM-UHFFFAOYSA-N 293.370 2.586 30 40 CFEB C=CCSc1nnc([C@@H](N)Cc2ccccc2)o1 11903974 LQNKTYURYVPSIA-NSHDSACASA-N 261.350 2.590 30 40 CFEB C#CCOC(=O)c1cccnc1Nc1cccc(F)c1 61564227 XYSLFJAYNRCHHR-UHFFFAOYSA-N 270.263 2.754 30 40 CFEB Cc1nc(S[C@@H](C)C(=O)NC2CC2)c(C#N)c(C)c1C 7059688 LRQUEHVZGJFILN-NSHDSACASA-N 289.404 2.638 30 40 CFEB CCCC[C@H](CC)CC(=O)NC1(C#N)CCN(C)CC1 71910151 XJRJKQMYZAQXED-AWEZNQCLSA-N 279.428 2.697 30 40 CFEB Cc1ccccc1NC(=O)COc1ccc(/C=N/O)cc1 409007605 PTEFEYLXBCVEBF-LICLKQGHSA-N 284.315 2.821 30 40 CFEB COc1ccc(CN/N=C(\C)c2ccco2)cc1OC 216056376 WRNRJCLHMGINMH-GZTJUZNOSA-N 274.320 2.811 30 40 CFEB CCn1cc(C(=O)Oc2ccc(C#N)c(Cl)c2)cn1 188846450 NISNIYQMXLXBAR-UHFFFAOYSA-N 275.695 2.647 30 40 CFEB O=C1Oc2ccccc2[C@H](O)[C@H]1/C=N/c1ccc(F)cc1 226757375 UXLXEMCDYFPAFJ-WTFHGKHBSA-N 285.274 2.797 30 40 CFEB N#CCN1CCC2(CC1)C[C@H](c1ccccc1)CO2 96220255 KDLPPAMUGSZLQE-HNNXBMFYSA-N 256.349 2.549 30 40 CFEB CC1(C)OB(c2ccc(Cl)cc2C#N)OC1(C)C 205597980 AVIJAORVKMOKBX-UHFFFAOYSA-N 263.533 2.511 30 40 CFEB N#Cc1ccc(NCc2cccc(NC(=O)C3CC3)c2)nc1 40024892 IQTQQBGNVZEGRY-UHFFFAOYSA-N 292.342 2.914 30 40 CFEB C[C@@H](NC(=O)Nc1nccs1)c1ccc(C#N)cc1 43160093 BOAIVUPCRYAAIL-SECBINFHSA-N 272.333 2.897 30 40 CFEB CCOc1ccc(N2CCn3c2cc(C)c(C#N)c3=O)cc1 3152748 UWSLACRAFZDDLT-UHFFFAOYSA-N 295.342 2.579 30 40 CFEB Cc1nnc(N2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C 58343113 NKVSPUIZUMWELP-OAHLLOKOSA-N 293.374 2.656 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)C[C@H]2CCOC2)c(C)c1 102707530 VMWFJYDLNMIHBM-UKRRQHHQSA-N 285.343 2.622 30 40 CFEB N#CCOc1ccc2c(c1)oc(=O)c1ccccc12 4341562 OQYRNBIZNRSOPJ-UHFFFAOYSA-N 251.241 2.849 30 40 CFEB CCc1ccc(/C=N/Nc2oc(C)nc2C#N)cc1 6356161 OIVXXEVPDXFGJR-CXUHLZMHSA-N 254.293 2.863 30 40 CFEB N#Cc1ccc(CNc2nnc(CC3CC3)o2)cc1 96494360 WXLBXMOBALIZPU-UHFFFAOYSA-N 254.293 2.506 30 40 CFEB Cc1nn(C)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80457223 QNIZQGPDEOVNMU-SNVBAGLBSA-N 288.376 2.799 30 40 CFEB CCC[C@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 69490792 MWIIHLSIPYSFNE-VXGBXAGGSA-N 292.404 2.984 30 40 CFEB N#Cc1ccc(NC(=O)CSc2ccccc2)nc1 72271963 LVTNZJKLGFSXQM-UHFFFAOYSA-N 269.329 2.684 30 40 CFEB Cc1ccccc1Cn1nc(C(C)C)c(C#N)c1N 225843924 LTCQLEAIHBPGRU-UHFFFAOYSA-N 254.337 2.817 30 40 CFEB N#Cc1cccnc1NCCOc1ccc(F)cc1 26776070 JCRIIZHTVNUPNJ-UHFFFAOYSA-N 257.268 2.583 30 40 CFEB CC(C)c1nc(N/N=C/c2ccccc2O)cc(N(C)C)n1 5849781 HZKQBPZRNWPFMD-LICLKQGHSA-N 299.378 2.818 30 40 CFEB C#CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 18837976 RGHWRYBNTMUOSS-UHFFFAOYSA-N 295.367 2.758 30 40 CFEB N#Cc1ccc(OCCn2cnc3ccccc32)cc1 14737647 JHQXIEQHFMVQDS-UHFFFAOYSA-N 263.300 2.987 30 40 CFEB O=S(=O)(/N=C(\S)c1ccccc1)c1ccccc1 17178054 NHRGJCJTJXYGDA-UHFFFAOYSA-N 277.370 2.752 30 40 CFEB COc1cc(C(=O)O)ccc1OCc1ccc(C#N)cc1 13419471 NCKZXQFJRWRVJY-UHFFFAOYSA-N 283.283 2.844 30 40 CFEB C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 40160616 ZOCLZSMVXBVJGD-CYBMUJFWSA-N 279.343 2.848 30 40 CFEB N#CCN1CCC(c2nc3ccccc3s2)CC1 40468327 DVXUMOIBEZELIQ-UHFFFAOYSA-N 257.362 2.999 30 40 CFEB COc1ccccc1CN/N=C/c1ccc(C#N)cc1 20761985 SCFLPDNMHUZHTR-WOJGMQOQSA-N 265.316 2.691 30 40 CFEB O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1n1nnc2cc(Cl)ccc21 100988731 GJTZQDROJDHRIM-MEAYQVPASA-N 276.727 2.886 30 40 CFEB N#Cc1ccc(OCC(=O)NC2CCCCCC2)cc1 3223221 LLSDGXOCOBHHJP-UHFFFAOYSA-N 272.348 2.776 30 40 CFEB C[C@H](C(=O)N[C@@H](C#N)[C@@H]1CCOC1)c1ccc(Cl)s1 95408456 RICBHUAOQKXYBF-AEJSXWLSSA-N 298.795 2.550 30 40 CFEB C#CCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 13939708 IREIBZMYMUIFCJ-XFXZXTDPSA-N 257.314 2.665 30 40 CFEB Cc1nc2n(c1C)CCN(Cc1cc(C#N)ccc1F)C2 65464674 ZWORMQNMTMUELX-UHFFFAOYSA-N 284.338 2.527 30 40 CFEB CCOCCCC(=O)N[C@](C)(C#N)C1CCCCC1 71908453 MOYFBESNDULGCU-OAHLLOKOSA-N 266.385 2.782 30 40 CFEB COc1ccccc1CO/N=C(/N)c1ccc(F)cc1 83980339 OAFAUQCWPAGZGP-UHFFFAOYSA-N 274.295 2.671 30 40 CFEB C=C(Cl)CN([C@H]1CCc2ccccc21)S(C)(=O)=O 69414617 HGHOECWISGLEIG-ZDUSSCGKSA-N 285.796 2.688 30 40 CFEB CC(C)C[C@@H](C#N)NC(=O)CCc1cc(F)ccc1F 69517314 GCWUNHAAMFFLGC-ZDUSSCGKSA-N 280.318 2.952 30 40 CFEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1C 408749199 FLWSENLSHYUBCF-PXNMLYILSA-N 286.291 2.753 30 40 CFEB Cc1ccc(C(C)C)c(OCC(=O)Nc2[nH]ncc2C#N)c1 72260308 BJFUJTLKEQYDRV-UHFFFAOYSA-N 298.346 2.731 30 40 CFEB N#CC(C#N)=NC1=C(N2CCCC2)CCc2ccccc21 68738248 BPZIQIPZPUAXGD-UHFFFAOYSA-N 276.343 2.885 30 40 CFEB CC1(C)OB(c2ccc(F)c(Cl)c2F)OC1(C)C 514251811 PUCLINFAOTWCAU-UHFFFAOYSA-N 274.503 2.917 30 40 CFEB COc1ccc(N/C(N)=N/Cc2ccccc2)cc1 225544421 MZYAFCBQVLUJSE-UHFFFAOYSA-N 255.321 2.622 30 40 CFEB CCCc1nc(N)nc(Cc2cccc(F)c2)c1C#N 223699326 UXBCATUSLJXEJY-UHFFFAOYSA-N 270.311 2.613 30 40 CFEB CC(C)(C)OC(=O)COc1cc(Cl)cc(C#N)c1 287414229 CMPINOINLFQICQ-UHFFFAOYSA-N 267.712 2.932 30 40 CFEB Cc1nccc([C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)n1 585085557 FZFCXTTUPMFANV-OAHLLOKOSA-N 293.374 2.744 30 40 CFEB C=CCCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC 75092822 DCHIZWRRTWNUNP-IUODEOHRSA-N 275.348 2.619 30 40 CFEB C#CCOc1ccc(/C=C2/C(=O)ON=C2C)cc1Cl 100815552 SEFADEGDCYCEGC-YRNVUSSQSA-N 275.691 2.668 30 40 CFEB C=C(C)CN(C)Cc1ccccc1N1CCOCC1 53138868 WQBNKVLCELJHFC-UHFFFAOYSA-N 260.381 2.531 30 40 CFEB CS/C(=N\C#N)Sc1ccc([N+](=O)[O-])cc1 4716405 RFQIKDFVZRXRIQ-PKNBQFBNSA-N 253.308 2.887 30 40 CFEB C#CCOC(=O)Cc1csc(-c2ccsc2)n1 95946882 DJXKWHWUKVNPIF-UHFFFAOYSA-N 263.343 2.591 30 40 CFEB C=C[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 8700263 NSJZJRZQKBXUTL-BARDWOONSA-N 276.332 2.634 30 40 CFEB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC#N 2662203 YSGCQGMSYHSDPD-UHFFFAOYSA-N 289.722 2.574 30 40 CFEB CCOc1ccc(C#N)cc1NC(=O)Nc1c(C)n[nH]c1C 171787478 GEFFUEFFMQZYJK-UHFFFAOYSA-N 299.334 2.941 30 40 CFEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O 3909383 GMWIDZVRQDWHSY-OQLLNIDSSA-N 287.275 2.755 30 40 CFEB N#Cc1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1 7132843 XKLQCSMDRRJOMM-UHFFFAOYSA-N 289.294 2.652 30 40 CFEB C[C@@H](C(=O)NC1(C#N)CC1)c1ccc(Br)s1 72302899 MCSHBACTBBGIKX-SSDOTTSWSA-N 299.193 2.786 30 40 CFEB N#Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1C#N 76019048 RZPSGYIZFVTDDW-UHFFFAOYSA-N 282.690 2.731 30 40 CFEB CCCCS[C@@H](C)C(=O)Nc1ccc(C#N)cn1 110286906 MMKXYUXJBXPBOJ-JTQLQIEISA-N 263.366 2.814 30 40 CFEB CCCCCCCCCNC(=O)C(=O)NC1CCCC1 408707019 HYCBZBZNZPLUQV-UHFFFAOYSA-N 282.428 2.912 30 40 CFEB CCc1cc(C)n(Cc2cccc(C(=O)O)c2)c1C#N 78405291 WLLAKQCQFBSAML-UHFFFAOYSA-N 268.316 2.977 30 40 CFEB C/C(=C\C(=O)c1cccnc1)Nc1cccc(O)c1 32100620 ZOOJWRAZWROEAC-DHZHZOJOSA-N 254.289 2.986 30 40 CFEB C=CCNC(=S)N[C@@H](C)c1ccc(OCC)cc1 13752112 YRYSZVHSPRFIQU-NSHDSACASA-N 264.394 2.796 30 40 CFEB NC(=S)N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 18189239 NFSYORCWJJDWTH-VUODPORTSA-N 297.383 2.748 30 40 CFEB Cc1cc(OC2CN(Cc3cccc(C#N)c3)C2)ccn1 1889122699 BXKLOBICDOXPTQ-UHFFFAOYSA-N 279.343 2.525 30 40 CFEB S/C(=N\N=C/c1cccnc1)Nc1ccccc1 32113229 XIKULJQYALWOGW-GDNBJRDFSA-N 256.334 2.813 30 40 CFEB C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccccc1 587945 WOKXWTGLSDTLBV-QGOAFFKASA-N 265.316 2.609 30 40 CFEB CS[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 42820356 HAOMLDSJADKXPC-ZETCQYMHSA-N 254.742 2.902 30 40 CFEB CC(C)(C)C(=O)NOC(=O)c1ccc(Cl)cc1 1395530 CNOCKISDIQFRMM-UHFFFAOYSA-N 255.701 2.574 30 40 CFEB Cc1noc(C)c1NC(=O)[C@@H](C)Oc1ccccc1C#N 58264736 ZGVIIKICJOYLHR-LLVKDONJSA-N 285.303 2.569 30 40 CFEB COc1ccc(C#N)c(NC(=O)CCCc2ccccn2)c1 83927847 OGPMOULULIZVKW-UHFFFAOYSA-N 295.342 2.923 30 40 CFEB COc1cc2c(cc1/C=N/c1cccc(O)c1)OCO2 409070217 NMQVGSJPAZOIIW-LZYBPNLTSA-N 271.272 2.880 30 40 CFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(OC)cc1 39560684 YAJNWCWXBKISJG-YESZJQIVSA-N 286.419 2.681 30 40 CFEB biogenic,in-vitro COCOc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 196162773 JVXOTRHOGIIVQC-UHFFFAOYSA-N 298.575 2.622 30 40 CFEB COc1ccc([C@H](OC[C@H]2CO2)C(F)(F)F)cc1 95095915 XZHWBWSJQDEWON-MNOVXSKESA-N 262.227 2.714 30 40 CFEB COc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1 95095916 XZHWBWSJQDEWON-GHMZBOCLSA-N 262.227 2.714 30 40 CFEB N#CC1(C(=O)Nc2cccc(OCC(F)F)n2)CCCC1 95978997 RJVONSNAKYDSQM-UHFFFAOYSA-N 295.289 2.748 30 40 CFEB CC1(C)CCC[C@]2(C)C(OCCO)=CC(=O)C=C12 5734519 SYLWVYMFAMXUDF-HNNXBMFYSA-N 250.338 2.605 30 40 CFEB C/C(=N\OCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 10842776 FYSYSTJJIPVFCP-YBFXNURJSA-N 281.315 2.797 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2c1nc(SC)ncc1C#N 1889064664 BQSADIINZYVKAR-TXEJJXNPSA-N 272.377 2.758 30 40 CFEB N/C(=N\OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1cccs1 105543948 WDNWRRYSBLFAJP-DCAQKATOSA-N 278.377 2.738 30 40 CFEB C#Cc1cccc(NC(=O)c2cn3ccccc3n2)c1 55273941 SQMFTKQYZJAILK-UHFFFAOYSA-N 261.284 2.568 30 40 CFEB N#CCN1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106641600 UALKFPPCSGABGH-SJORKVTESA-N 269.392 2.639 30 40 CFEB O=C([C@H]1O[C@H]1c1ccccc1)[C@H]1O[C@H]1c1ccccc1 4726437 GRMWHJVDGCIJSN-MWDXBVQZSA-N 266.296 2.836 30 40 CFEB N#Cc1ccc(C=C2C(=O)Nc3ccccc3NC2=O)cc1 9315518 LCXUMHCNQKKQLF-UHFFFAOYSA-N 289.294 2.532 30 40 CFEB C=CCNC(=O)Cc1csc(-c2ccccc2)n1 6759295 BDASQRXEXRHJHI-UHFFFAOYSA-N 258.346 2.655 30 40 CFEB CN1CCc2c(sc(/N=C/c3ccco3)c2C#N)C1 4859695 IGLOPXCBSRROIJ-LZYBPNLTSA-N 271.345 2.951 30 40 CFEB N#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1 67686787 SXMXTFRBLWHELH-UHFFFAOYSA-N 294.354 2.979 30 40 CFEB Cc1ccc(C)c(-n2cnnc2S[C@@H](C)C#N)c1 7319572 MKXCPNQQRJBXFR-NSHDSACASA-N 258.350 2.888 30 40 CFEB N#CCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 69879089 JMYMDOJKAUSGIS-UHFFFAOYSA-N 272.254 2.885 30 40 CFEB N#C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(F)c(F)c2)C1 89768316 DMWXBPFYQVLAMA-GHMZBOCLSA-N 265.259 2.743 30 40 CFEB CC1=CC(=O)C=C/C1=N/OC(=O)c1ccc(Cl)cc1 33293361 JBJMDCRSTHMEHP-SSZFMOIBSA-N 275.691 2.938 30 40 CFEB CCn1ncc(/C=C\C(=O)c2cccc(O)c2)c1C 71785183 LAGSDFILZKLHHG-FPLPWBNLSA-N 256.305 2.813 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 96404924 TVXXYOGPMYHJOS-UONOGXRCSA-N 289.356 2.859 30 40 CFEB CCOC(=O)C=Nc1ccc(Br)cc1 256174201 XLVKRRMSLOIGJU-UHFFFAOYSA-N 256.099 2.715 30 40 CFEB Cn1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ncc21 953001918 FBFUYRAOHDGDMU-UHFFFAOYSA-N 292.575 2.526 30 40 CFEB COc1ccc(-c2c3c([nH]c(=O)c2C#N)CCCC3)cc1 411721 WVMKMEZHYXURSG-UHFFFAOYSA-N 280.327 2.801 30 40 CFEB C=CCn1ccnc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 36396148 OAQRSHUGUTVOAQ-UHFFFAOYSA-N 286.291 2.538 30 40 CFEB C=CCN(CC=C)CC(=O)Nc1cc(C(C)(C)C)no1 32819289 GKUHRIQAGCDQKV-UHFFFAOYSA-N 277.368 2.585 30 40 CFEB CCCCCCCCS/C(=C/C#CCO)CO 100567089 MHRKUISNJZOSCC-GXDHUFHOSA-N 256.411 2.952 30 40 CFEB Cc1cc(SCC(=O)O)n2c(nc3ccccc32)c1C#N 3888109 RKEPKTZNDJGERT-UHFFFAOYSA-N 297.339 2.844 30 40 CFEB COc1ccc(/C=C/C(=O)c2c(O)oc(C)cc2=O)cc1 9303967 CXLFZVUSUBLADF-VMPITWQZSA-N 286.283 2.559 30 40 CFEB Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)s1 9365154 DTGXFXBHLXPBRG-SNVBAGLBSA-N 287.344 2.729 30 40 CFEB COc1ccc(OC)c(C(=O)Nc2cccc(C#N)c2)c1 7525777 PPNBZOJLGPHTPW-UHFFFAOYSA-N 282.299 2.828 30 40 CFEB Cc1csc([C@@H](Nc2nccnc2C#N)C2CC2)n1 78381440 SPCIGFZFKYTQPR-NSHDSACASA-N 271.349 2.676 30 40 CFEB Cc1nn(Cc2cccc3ccccc23)c(N)c1C#N 132381722 OVXJMFUULCNPKU-UHFFFAOYSA-N 262.316 2.847 30 40 CFEB CC(C)n1nc(Cc2ccccc2F)c(C#N)c1N 225831397 NWVPROZYRZQUOA-UHFFFAOYSA-N 258.300 2.648 30 40 CFEB C=CCc1cc(C)cc(OC)c1OCC(=O)N1CCCC1 195572964 YHCJNMFJGGVMHK-UHFFFAOYSA-N 289.375 2.733 30 40 CFEB CC(C)(C)c1csc(CS(=O)(=O)CCCC#N)n1 190932174 DTZMJJUJTQDTIF-UHFFFAOYSA-N 286.422 2.659 30 40 CFEB N#Cc1cc(F)ccc1NCc1nncn1-c1ccccc1 91430042 LHWGGNISBHBWCU-UHFFFAOYSA-N 293.305 2.890 30 40 CFEB N#Cc1cccnc1Oc1ccc(C(=O)N2CCCC2)cc1 96452868 YRRKHVRPDLXJNL-UHFFFAOYSA-N 293.326 2.982 30 40 CFEB N#CC1(NC(=O)c2cc(Cl)c3c(c2)OCO3)CCCC1 95946845 BUPZAUZDOBSIOV-UHFFFAOYSA-N 292.722 2.635 30 40 CFEB N#Cc1nccnc1N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009436 LJNXBHCFAHNKNZ-KBPBESRZSA-N 266.348 2.816 30 40 CFEB CN(CCC#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 96008696 QFDQIJGBPVOTCX-UHFFFAOYSA-N 282.687 2.626 30 40 CFEB Oc1ccc(/C=N/Nc2ccccn2)cc1Br 5687987 YMMHTWHFJBWWLC-OVCLIPMQSA-N 292.136 2.996 30 40 CFEB CC(=O)C1=C(NC(=O)c2ccco2)C[C@@H]2[C@H]1C2(C)C 485918 FIYPWHVEWHNSQJ-NOZJJQNGSA-N 259.305 2.528 30 40 CFEB biogenic C[C@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(F)cc1 78673186 MZUOZLRUKUMNPE-IINYFYTJSA-N 271.295 2.626 30 40 CFEB Cc1ccc(S(=O)(=O)OC2[C@@H]3C=C[C@@H]2CC3)cc1 101042462 CPIDNWGXOKVSLP-VXGBXAGGSA-N 264.346 2.665 30 40 CFEB CC[C@@]1(C)NC(=O)N(/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)C1=O 101919062 GLDQAVMCVBXSND-BWBBJMNOSA-N 289.379 2.685 30 40 CFEB CCn1cc(-c2cc(C(F)(F)F)nn2CCC#N)cn1 12394982 WLWSNQMSBSOIHU-UHFFFAOYSA-N 283.257 2.699 30 40 CFEB Cc1ccc(C(C)C)cc1OCC(=O)/N=C1\NCCS1 9218887 SZYOFDXFLRJICH-UHFFFAOYSA-N 292.404 2.716 30 40 CFEB Cc1ccc(S(=O)(=O)/N=C(\O)CC[C@H]2CCCO2)cc1 48422883 AAVJRESEDNGHAD-GFCCVEGCSA-N 297.376 2.599 30 40 CFEB C=C(C)CCOC(=O)[C@H]1CC(=O)Nc2ccccc21 96442864 WUEDJEUGMTXHPY-LBPRGKRZSA-N 259.305 2.622 30 40 CFEB CC[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O 95997459 XHQJXWSEZKSRMU-SNVBAGLBSA-N 288.294 2.933 30 40 CFEB CC(C)(C)SCCCC(=O)N[C@]1(C#N)CCSC1 95435924 QXXKIZURFSUTOA-ZDUSSCGKSA-N 286.466 2.814 30 40 CFEB O/C(=N\c1nncs1)c1nc2ccccc2s1 33720015 RXBYXRCQVJQENQ-UHFFFAOYSA-N 262.319 2.784 30 40 CFEB N#Cc1ccc(-c2nc(C(=O)NC3CCCCC3)no2)cc1 96125506 URQOLLHBAWFXDL-UHFFFAOYSA-N 296.330 2.671 30 40 CFEB CN(CCNc1ccc(C#N)cn1)c1ccccc1 40024883 DILDIAIYRMBOBN-UHFFFAOYSA-N 252.321 2.502 30 40 CFEB C=C(C)Cn1ccn(-c2ccc(C(C)C)cc2)c(=O)c1=O 1775968118 QBUNMFXATDBSQC-UHFFFAOYSA-N 284.359 2.699 30 40 CFEB Cc1cccc(OC2CCN(Cc3ccc(C#N)o3)CC2)n1 154339532 QCISECZQAGNQCO-UHFFFAOYSA-N 297.358 2.898 30 40 CFEB CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)N(C)CCC#N)c1 79030516 DKXPMYZHKQGPQD-STQMWFEESA-N 289.379 2.566 30 40 CFEB CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@@H]1C2(C)C 100052150 NJIUSKQTOGHXSZ-QWRGUYRKSA-N 250.338 2.747 30 40 CFEB N#C[C@H](C(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 36383743 GEOWTPXJRIBYRZ-LBPRGKRZSA-N 276.299 2.809 30 40 CFEB COC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 2647344 JPEOLMQARRHGSX-UHFFFAOYSA-N 281.267 2.564 30 40 CFEB C[C@H]1C/C(=N/O)c2c(-c3ccc4c(c3)OCO4)nn(C)c2C1 5211521 UUOFYIDQBMYCHZ-XDFUXBNQSA-N 299.330 2.576 30 40 CFEB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(F)cc2C#N)c1 71882174 OTHYNAIXDCQAKA-OLZOCXBDSA-N 286.354 2.942 30 40 CFEB CN(CC(=O)Nc1ccccc1C#N)Cc1cccs1 7846408 KXRRZHNLWAGPMC-UHFFFAOYSA-N 285.372 2.690 30 40 CFEB C#CC[C@@H](OC(=O)c1cc(C(C)C)[nH]n1)c1ccccn1 73294521 HSALTLMMWZEYNF-OAHLLOKOSA-N 283.331 2.850 30 40 CFEB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C#N)cc1 36391127 JBFJDOADTPQPKI-CJNGLKHVSA-N 286.375 2.883 30 40 CFEB C[C@@H](OCC1CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 78665188 VKJSROZTHMCIQC-LLVKDONJSA-N 289.379 2.868 30 40 CFEB CC(C)CN1C(=O)CS/C1=N\c1ccc(N(C)C)cc1 48513461 ISZIBHMQFBCWLU-NXVVXOECSA-N 291.420 2.972 30 40 CFEB N#CCc1ccc(NC(=S)NCc2ccccn2)cc1 225329127 XIPCVAJZTPRDQE-UHFFFAOYSA-N 282.372 2.634 30 40 CFEB C=CCOc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 225319444 FJKAZGALUWKNOK-AWEZNQCLSA-N 292.404 2.717 30 40 CFEB C[C@@H](CC#N)NC(=O)c1ccc2ccc(Cl)cc2n1 84186798 AIYZSMSSFJANDY-VIFPVBQESA-N 273.723 2.920 30 40 CFEB C=CCN1CCC(N[C@@H]2CCc3ccccc3C2)CC1 96477241 XXSNDMXJGQTRTG-GOSISDBHSA-N 270.420 2.784 30 40 CFEB C=CCCC[C@@H](C)NC(=O)N1CCC(C)(CO)CC1 97377501 CDMVWWZEOORBGC-CYBMUJFWSA-N 268.401 2.535 30 40 CFEB Fc1cc(C#CCO[C@H]2CCCCO2)cc(F)c1F 95632760 ZZYVZQAHLVNOJX-ZDUSSCGKSA-N 270.250 2.999 30 40 CFEB C=CCNC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 49359464 QOSGMTZIPQCSJL-UHFFFAOYSA-N 277.324 2.587 30 40 CFEB N#C/C(=N\Nc1ccc(Cl)c(Cl)c1)C(N)=S 100056854 GGZKJQJQNJBARN-OVCLIPMQSA-N 273.148 2.571 30 40 CFEB NC(=S)N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21 18187973 NFSYORCWJJDWTH-COYFKBPASA-N 297.383 2.748 30 40 CFEB C#CCOC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 49031690 PRNVOEASVKGEEQ-CQSZACIVSA-N 297.354 2.935 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(OC)c1 620316557 CYOMRZVHPXMDHC-GASCZTMLSA-N 271.360 2.947 30 40 CFEB Cc1nnc(SCc2nccn2C(F)F)c(C#N)c1C 96004629 ITYACHRLEQOBLE-UHFFFAOYSA-N 295.318 2.849 30 40 CFEB CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1 57552626 ZKIMDOXAXAWZPS-ZDUSSCGKSA-N 264.756 2.937 30 40 CFEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)o1 2342109 SMXYDMGRVSVYHB-NVNXTCNLSA-N 299.326 2.971 30 40 CFEB C=CCC1=C(C)[C@]2(OC1)C(=O)N(C)c1ccccc12 26897537 CZIYHMVZCBOURS-MRXNPFEDSA-N 255.317 2.781 30 40 CFEB N#CCSCC(=O)N1CCCSc2ccccc21 36833039 DCLJHPPQWSCLQW-UHFFFAOYSA-N 278.402 2.772 30 40 CFEB Cc1c(-c2cc(C(F)(F)F)n(CCC#N)n2)cnn1C 12395594 MQMUWCYYODXNKJ-UHFFFAOYSA-N 283.257 2.525 30 40 CFEB N#Cc1ccccc1NC(=O)c1noc2c1CCCC2 20494594 FMXGUSODLUSYRI-UHFFFAOYSA-N 267.288 2.677 30 40 CFEB COc1ccc(C)cc1/N=C\c1ccc(OCC(N)=O)cc1 408803686 SDEKHIAPDXRICE-GRSHGNNSSA-N 298.342 2.618 30 40 CFEB Cc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1 5110489 GVCBVKDRDYZYCI-CAOOACKPSA-N 256.305 2.647 30 40 CFEB N#Cc1ccc(COC(=O)Cc2noc3ccccc23)cc1 6586202 CWDORUUXVRNDRO-UHFFFAOYSA-N 292.294 2.985 30 40 CFEB N#Cc1cc([C@@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1C#N 66088324 FNYVSUBBADTHGW-HNNXBMFYSA-N 288.266 2.994 30 40 CFEB C=CCn1c(S)nnc1CC[C@@H](O)CCCCC 5735456 RMPISHCXCLWLTE-NSHDSACASA-N 269.414 2.627 30 40 CFEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc[nH]2)cc1 4823053 WOKRUJAOPOSOIU-CMDGGOBGSA-N 254.289 2.869 30 40 CFEB C[C@@H](C1CC1)N(C(=O)CNc1ccc(C#N)cc1)C1CC1 71862900 LHIQFTUDVRNLSC-LBPRGKRZSA-N 283.375 2.760 30 40 CFEB O=C1COc2ccc(C(=O)/C=C/c3cccc(O)c3)cc2N1 7333666 IFRAVDRQLOMMCV-GQCTYLIASA-N 295.294 2.619 30 40 CFEB C[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H](c2ccsc2)O1 195539211 IBDFESGSBQPQNI-ABAIWWIYSA-N 285.372 2.981 30 40 CFEB C=CCO[C@@H]1CO[C@@]2(CCCN(Cc3ccco3)C2)C1 96048183 UQMAUUUBYRDXCQ-HOTGVXAUSA-N 277.364 2.606 30 40 CFEB O=C(OCC(F)(F)C(F)(F)C(F)(F)F)n1ccnc1 169804809 GHAMEXCIEMOKOT-UHFFFAOYSA-N 294.126 2.701 30 40 CFEB O/C(CCc1nc2ccccc2s1)=N\c1ncn[nH]1 26262610 IXRCDLWFPUXCOA-UHFFFAOYSA-N 273.321 2.635 30 40 CFEB C#CCn1/c(=N/C(=O)C(C)C)sc2cc(F)cc(F)c21 100877794 LHEMFGIQGJQXNP-VKAVYKQESA-N 294.326 2.698 30 40 CFEB C#CCNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 32488742 GDEAZULNISQYRC-QMMMGPOBSA-N 272.131 2.510 30 40 CFEB COc1cccc(CC(=O)c2ccc(C#N)cc2)c1 161861 LJAFNBCCQCGQBV-UHFFFAOYSA-N 251.285 2.992 30 40 CFEB C[S+](C)CC(=O)c1ccc(Br)cc1 4769326 SUYGSORCLDYBSS-UHFFFAOYSA-N 260.176 2.510 30 40 CFEB CCC[C@@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 4808612 GXTWAXDCKTXFAL-KOZAUXTDSA-N 298.346 2.623 30 40 CFEB N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1 25661670 DVEBNBQULIXKHB-UHFFFAOYSA-N 292.342 2.806 30 40 CFEB O=[N+]([O-])c1ccc2c(cnn2[C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)c1 100971151 OVDPYCAWLMLMMB-UJVDNFMVSA-N 286.291 2.746 30 40 CFEB COc1cccc(N/C=C2\C(=O)Oc3ccccc3C2=O)c1 100642430 MYGAMBRYWGIKDK-UVTDQMKNSA-N 295.294 2.793 30 40 CFEB [N-]=[N+]=Nc1cc(C(=O)Nc2ccc3c(c2)COC3=O)ccn1 108516277 GSMLINANPHBAAO-UHFFFAOYSA-N 295.258 2.946 30 40 CFEB COc1cc(C#N)ccc1CN(C)CCc1ccncc1 95999375 DBLOGKWGWFONOX-UHFFFAOYSA-N 281.359 2.636 30 40 CFEB COc1ncccc1CNc1snc(Cl)c1C#N 47405325 LYYXXERJCARLRU-UHFFFAOYSA-N 280.740 2.684 30 40 CFEB N#Cc1cc2onc(C(=O)c3cccs3)c2cc1C#N 66089469 UFOOIUNPHAVHKG-UHFFFAOYSA-N 279.280 2.864 30 40 CFEB N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c[nH]1 69384541 PXECKCPDEIKFPT-UHFFFAOYSA-N 277.711 2.817 30 40 CFEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(O)c1 9602228 GCKXFECFAUREST-INIZCTEOSA-N 296.326 2.850 30 40 CFEB COc1cccc(Nc2ccc(N)cc2C#N)c1OC 20135130 PGDVQMHXLLESAQ-UHFFFAOYSA-N 269.304 2.901 30 40 CFEB CCCn1nc(OCc2cccc(Cl)c2)c(C#N)c1N 225830839 VRKJIEMCTVQDMH-UHFFFAOYSA-N 290.754 2.979 30 40 CFEB C=C[C@H]([C@@H](NCc1ccccc1)C(=O)O)C(F)(F)F 199555211 QTYCDKIGDYXOEA-GHMZBOCLSA-N 273.254 2.594 30 40 CFEB C[C@@H](/N=C(/O)c1cccc2c1CCC2)c1cn[nH]c1 328866927 OBHWCIGUGRMFNC-SNVBAGLBSA-N 255.321 2.964 30 40 CFEB CCn1c(C#N)cc(N)c1Oc1cccc(OC)c1 225883725 TTYMHSQKIJKBND-UHFFFAOYSA-N 257.293 2.763 30 40 CFEB C=CCN1C(=O)CCC[C@]12CCCN(c1cccnc1)C2 96077106 MQPHYFIHZTWKRX-QGZVFWFLSA-N 285.391 2.619 30 40 CFEB C=CCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 96182322 DOOWZOUXAGDBET-UHFFFAOYSA-N 272.392 2.684 30 40 CFEB CC(/C=C\c1ccc(Cl)cc1)=N/N=C(/N)S 5830960 COWAKOZXZREIGT-YPLIVXAASA-N 253.758 2.974 30 40 CFEB N#C/N=C1/N=[S@@](=O)(c2ccccc2)c2ccccc21 18210115 FLYMZSKTSGKHJB-JRJUITNWSA-N 267.313 2.814 30 40 CFEB O=C(/C=N/OC(=O)NC1CCCCC1)Nc1ccccc1 43469 RWFILQVBEPSABA-LFIBNONCSA-N 289.335 2.670 30 40 CFEB CC[C@@](C)(C#N)NC(=O)c1cc(Cl)ccc1F 40357827 MQVQZCHWELXIEV-LBPRGKRZSA-N 254.692 2.901 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)c(F)c1F 22907347 OZDPROZSWFTSPS-CQSZACIVSA-N 299.296 2.570 30 40 CFEB N#Cc1cc(NC(=O)C2CC2)ccc1OCC(F)(F)F 36394688 LLILGOLAAKFXGZ-UHFFFAOYSA-N 284.237 2.848 30 40 CFEB C=C(C)CN1C(=O)/C(=C/c2cccnc2)SC1=S 96935960 WROQYZSMFAZUMV-WDZFZDKYSA-N 276.386 2.859 30 40 CFEB N#Cc1c(-c2ccc(Br)cc2)noc1N 4106070 UWJUIZTWTQMCPR-UHFFFAOYSA-N 264.082 2.558 30 40 CFEB COCc1cc(C)nc(N/N=C/c2ccc(O)cc2)c1C#N 5361646 APMAHYMNOOPUFB-GIJQJNRQSA-N 296.330 2.560 30 40 CFEB CCc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409094951 GPGLBSULIYRWEA-MHWRWJLKSA-N 270.292 2.998 30 40 CFEB Cc1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1C 5556145 YZBSPUDUKZBJJF-UHFFFAOYSA-N 295.367 2.995 30 40 CFEB CC(C)/N=C1\NN=C(c2ccc(F)cc2)CS1 5859304 AWMXVXSTGPACIP-UHFFFAOYSA-N 251.330 2.631 30 40 CFEB C[C@@H](O)CCNc1ccc(C#N)c(C(F)(F)F)c1 69946466 TXNQMOBYLASQAV-MRVPVSSYSA-N 258.243 2.760 30 40 CFEB Oc1cccc(/N=C\c2ccc(N3CCOCC3)o2)c1 409008761 GGKALIXLXROGLP-WJDWOHSUSA-N 272.304 2.572 30 40 CFEB Cn1c([C@@H](C#N)c2ncccc2[N+](=O)[O-])nc2ccccc21 3847001 KTJOWQZBNLVKRR-JTQLQIEISA-N 293.286 2.532 30 40 CFEB biogenic CC(C)Cc1nn(Cc2ccc(F)cc2)c(N)c1C#N 225842432 KRDMSJWCEQFSML-UHFFFAOYSA-N 272.327 2.723 30 40 CFEB CCNC(=S)N/N=C\c1cc(Cl)ccc1OCC 83260684 YELWTPMPNGTHJZ-NVNXTCNLSA-N 285.800 2.557 30 40 CFEB COC(=O)[C@H]1O[C@]1(C)c1ccc(Cl)c(Cl)c1 85657637 PUDPDUDWUQLGDN-MWLCHTKSSA-N 261.104 2.780 30 40 CFEB C=C(Br)CN1CCC(=O)Nc2ccccc21 95431983 PNOGPKVOGJJYBA-UHFFFAOYSA-N 281.153 2.744 30 40 CFEB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccc2c(c1)CCO2 95096065 XSAUZBCJORFOSV-JQWIXIFHSA-N 274.238 2.640 30 40 CFEB N#Cc1cnc(N[C@@H]2CCCC[C@H]2CO)c(Cl)c1 96418717 REOOCEQQGKYCFC-CMPLNLGQSA-N 265.744 2.570 30 40 CFEB Cc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(C)c1 1617212 SDUMLWVFOBPLIH-LFIBNONCSA-N 288.372 2.616 30 40 CFEB N#CCc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 28670026 JACXKKYKLKXNKJ-UHFFFAOYSA-N 259.696 2.986 30 40 CFEB CCN(CC)C[C@@H](C)[C@]1(C#N)OCCc2ccccc21 4762666 ZQYXCJSGEWRXAI-PBHICJAKSA-N 272.392 2.956 30 40 CFEB CN1[C@@H]2CC[C@@H]1CC(=NOC(=O)c1ccc(F)cc1)C2 100537362 HKNFHJJJEKBKHW-ZIAGYGMSSA-N 276.311 2.595 30 40 CFEB CCSc1ncc(/C=N/c2nccs2)n1C 100250896 FOPSVHZMSVJWJH-WUXMJOGZSA-N 252.368 2.739 30 40 CFEB N#CCCOCC#CCN1CCCC[C@@H]1c1cccnc1 58482553 IHCHCZPQZATNJV-QGZVFWFLSA-N 283.375 2.542 30 40 CFEB biogenic C[C@H]1CN(Cc2ccccc2)CCN1CCCCC#N 76802695 IMRZGMKDKBOXEH-INIZCTEOSA-N 271.408 2.887 30 40 CFEB C#Cc1cccc(NC(=O)CN(C)Cc2ccccc2)c1 48324082 VRXUMMQJQFRUFG-UHFFFAOYSA-N 278.355 2.738 30 40 CFEB NC(=O)C(/N=N\c1ccccc1)=N\Nc1ccccc1 102874612 NOGZBQFGZUFPOF-UJYJBITFSA-N 267.292 2.681 30 40 CFEB CN(Cc1ccccc1F)C(=O)COc1ccccc1C#N 3438640 WIJIUWIFGJVVMZ-UHFFFAOYSA-N 298.317 2.735 30 40 CFEB N#Cc1ccc(O)c(NC(=O)[C@@H]2CCOc3ccccc32)c1 95443677 OGHJUXZMDNRSKE-CYBMUJFWSA-N 294.310 2.769 30 40 CFEB N#Cc1ccc2c(c1)NC(=O)/C(=C\C(=O)c1ccccc1)N2 77024236 QPPDRMQKYWDARB-OQLLNIDSSA-N 289.294 2.689 30 40 CFEB N#Cc1ccc2ncc(CN3CCC[C@H]4CCC[C@@H]43)n2c1 92485562 NGWDLZDILKQOCC-ZBFHGGJFSA-N 280.375 2.970 30 40 CFEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N1CCc2ccccc2C1 257345300 SDLVVHFSNYGCQD-VZCSLJDYSA-N 256.349 2.673 30 40 CFEB C=CCO[C@H]1C[C@H]2C[C@H]1N(C(=O)c1sccc1C)C2 253598269 FQXGJQMFLOYLDY-UPJWGTAASA-N 277.389 2.862 30 40 CFEB CCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1F 642815071 ZDWVZUMMBQYGRI-UHFFFAOYSA-N 284.111 2.663 30 40 CFEB COc1ccc(-c2ccc(/C=N/N(C)C)o2)c([N+](=O)[O-])c1 5719528 VXKPJQXGIUPWJT-OQLLNIDSSA-N 289.291 2.759 30 40 CFEB N#Cc1ccsc1NC(=O)c1ccc2nsnc2c1 49026015 KFQFZGUVTDPCRE-UHFFFAOYSA-N 286.341 2.877 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc(Cl)cn2)C(=O)C1 100835102 CQLDFDFLAHNOPK-UHFFFAOYSA-N 278.739 2.989 30 40 CFEB C#CCN1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 1018538 AOKHPAPSXMWQME-UKTHLTGXSA-N 287.340 2.673 30 40 CFEB CCOc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cn1 93242869 RCRCITOOWAZLHM-LLVKDONJSA-N 287.344 2.735 30 40 CFEB Cc1cc([C@@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc(C)n1 107331923 UVDRURFNCKLFKI-IGQOVBAYSA-N 269.348 2.706 30 40 CFEB S=c1[nH]nc(N/N=C/c2cccc(Br)c2)[nH]1 6330567 RDXFVLSHWKMULQ-VZUCSPMQSA-N 298.169 2.676 30 40 CFEB C#CC(C)(C)OC(=O)CCC(=O)Nc1ccccc1C 4503272 QCBUVUQSBNLECB-UHFFFAOYSA-N 273.332 2.669 30 40 CFEB Cc1cccc(C2(C/N=C(\N)N(C)C)CCCC2)c1 170914742 QTWBMJQTSZEYJY-UHFFFAOYSA-N 259.397 2.683 30 40 CFEB N#Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1Cl 72025540 WCWXVCPJBJNNSP-UHFFFAOYSA-N 261.672 2.579 30 40 CFEB COc1cc2c(cc1/C=N/c1ccc3c(c1)OCO3)OCO2 409099074 PXQNNOJWQABFHG-REZTVBANSA-N 299.282 2.903 30 40 CFEB O=C1/C(=N\O)c2ccccc2N1CCCOc1ccccc1 39853894 YKTIESWOVWAEOS-VLGSPTGOSA-N 296.326 2.681 30 40 CFEB CCCO/C=C(\Br)C(=O)C(F)(F)F 217726497 HZGRMUXOHUPLJC-PLNGDYQASA-N 261.037 2.781 30 40 CFEB Cc1ccc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)cc1C 225235991 GQKOJQJYVURGHN-UHFFFAOYSA-N 285.307 2.665 30 40 CFEB C#Cc1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1857786701 ZMBGMCFZZOUFFZ-UHFFFAOYSA-N 289.379 2.512 30 40 CFEB N#CCC(=O)N1CCS/C1=C/c1cccs1 225235296 BAKNWOGLUKTAKI-DHZHZOJOSA-N 250.348 2.536 30 40 CFEB COC(=O)c1ccc2nc(S[C@@H](C)C#N)oc2c1 96409197 GMMUIYLOTLWDJB-ZETCQYMHSA-N 262.290 2.619 30 40 CFEB CCOc1cc(/C=N\O)cc(Br)c1OC 100232465 SSOXZKVJUYDXND-SDQBBNPISA-N 274.114 2.665 30 40 CFEB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1C#N 16046448 CGXZMRSFGUUFBH-BETUJISGSA-N 272.348 2.727 30 40 CFEB O=C1CCCC/C1=C\Nc1ccc(C(=O)O)c(O)c1 532196 DVPPHAOQOUZKKJ-CMDGGOBGSA-N 261.277 2.529 30 40 CFEB CC(=O)C1=C(O)/C(=C/C=C\c2ccccc2)OC1=O 17105780 ABKIYVGPMWZYOU-CVNCVQKXSA-N 256.257 2.542 30 40 CFEB C=CCN1CCO[C@H]2CCN(CC3CCCCC3)CC[C@H]21 2055745798 CBASWSPIOUPZEU-MSOLQXFVSA-N 292.467 2.918 30 40 CFEB C=C(C)COC(=O)c1ccc2nc(C)c(C)nc2c1 57544565 PTZLPMUEEDFTNT-UHFFFAOYSA-N 256.305 2.980 30 40 CFEB C=CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 2619125 UIKBKUPQBTUDIB-UHFFFAOYSA-N 299.701 2.823 30 40 CFEB N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(F)cc1 18152818 UJQOFZZYLARWCS-UHFFFAOYSA-N 270.292 2.502 30 40 CFEB C/C(=N\Nc1ccccn1)c1cccc(N2CCOC2=O)c1 98055522 FQXREPWWXSHUIB-LDADJPATSA-N 296.330 2.874 30 40 CFEB C=C(Br)CN1CCN(CC(F)F)[C@H](CC)C1 95980460 WXIHQNUSOQWRSA-SNVBAGLBSA-N 297.187 2.556 30 40 CFEB C=C(C)CN(C)C(=O)Nc1ccc(C(=O)OCC)cc1 95994026 BDXQBZVIUJNIGT-UHFFFAOYSA-N 276.336 2.903 30 40 CFEB CO[C@@H](CNc1nccnc1C#N)c1cccc(Cl)c1 76063832 PANQPOQGZDHJNF-ZDUSSCGKSA-N 288.738 2.801 30 40 CFEB CCCCOc1c(C#N)cc(OC)cc1[N+](=O)[O-] 225289371 CNJVIOAVSOGPQX-UHFFFAOYSA-N 250.254 2.654 30 40 CFEB N#Cc1ccc(CN2CC(COc3cccnc3)C2)c(F)c1 1776001589 AAGLJRYGNBOCMQ-UHFFFAOYSA-N 297.333 2.603 30 40 CFEB N#Cc1cccc(C(=O)Nc2cccc3[nH]cnc23)c1 75566727 NYEMEROHDMFBFY-UHFFFAOYSA-N 262.272 2.687 30 40 CFEB O=C1C(=Cc2ccccc2O)C(=O)c2ccccc21 157722 XKBWDZLGDIYHGT-UHFFFAOYSA-N 250.253 2.855 30 40 CFEB COc1ccc(/C=C/C(=O)[C@]23CCC[C@H]2O3)cc1OC 163753 VGHKTVMADWRSIB-CGMDNHBQSA-N 274.316 2.608 30 40 CFEB N#Cc1cccnc1N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888842699 WBRGOFBGQPQYNZ-KBPBESRZSA-N 279.347 2.522 30 40 CFEB C[C@H]([C@H](O)c1ccccc1)N(C)[C@H](C#N)c1ccc(N)cc1 20112763 ZZYJDAMABKFMEP-XWIAVFTESA-N 295.386 2.887 30 40 CFEB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCCCC1 20298416 WLDQKSNFSZFIMN-CYBMUJFWSA-N 272.348 2.728 30 40 CFEB C#Cc1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1 32900731 NXBYLPIANWDUSF-UHFFFAOYSA-N 288.310 2.501 30 40 CFEB N#C[C@H](C(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 103502395 KPAXMXDUTQEXSY-CYBMUJFWSA-N 290.750 2.675 30 40 CFEB C[C@@H]1C[C@@H](C)CN(CC(=O)NC2(C#N)CCCCCC2)C1 22841599 HRJWPBSNQMZIQH-HUUCEWRRSA-N 291.439 2.697 30 40 CFEB NC(=S)NN(/C=C/C(=O)c1ccccc1)c1ccccc1 59506210 URLYTYNJROTFSJ-VAWYXSNFSA-N 297.383 2.638 30 40 CFEB C/C(CCc1ccc(O)cc1)=N\Nc1cnccn1 44655287 AOIKNGZCPBMPKC-GZTJUZNOSA-N 256.309 2.603 30 40 CFEB N#Cc1ccc(Nc2cnn(Cc3ccccc3)c2)nc1 44977045 XQGFXQKKXDMJAD-UHFFFAOYSA-N 275.315 2.942 30 40 CFEB Cc1cc(C)cc(OCCC(=O)N(CC#N)C2CC2)c1 58305033 WNABASCSAXATGQ-UHFFFAOYSA-N 272.348 2.587 30 40 CFEB C[C@H](c1ccccc1Cl)N1CCN(CC#N)CC1 46512145 YRTXLZDEEBMKBW-GFCCVEGCSA-N 263.772 2.542 30 40 CFEB N#Cc1ccc(CNC(=O)NC2CCCCC2)cc1 47579376 LFLVTTPBKPQDCV-UHFFFAOYSA-N 257.337 2.690 30 40 CFEB N#Cc1c(F)cccc1OCc1nnc(C2CC2)o1 95438590 YFXSHLWEQPGBQA-UHFFFAOYSA-N 259.240 2.537 30 40 CFEB CC(=O)c1cccc(OC(=O)c2ccc(C#N)cc2)c1 6259708 XXJWPRQASAWNIV-UHFFFAOYSA-N 265.268 2.980 30 40 CFEB CCO/C=N/c1sc(C(=O)OCC)c(C)c1C#N 5979506 OAKOGQGICWUILD-VGOFMYFVSA-N 266.322 2.801 30 40 CFEB COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC#N 71910710 WYGOPRWTFVTYIZ-LBPRGKRZSA-N 272.270 2.848 30 40 CFEB C=CC[C@H](C)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 95986473 DYNBLDCLXZKETH-AVGNSLFASA-N 268.401 2.986 30 40 CFEB CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2ccncc2)cc1 18173017 JEWPDHDEDXFRHE-UHFFFAOYSA-N 297.358 2.856 30 40 CFEB N/C(=N/O[C@@H]1CCCc2ccc(F)cc21)c1cccnc1 89793912 VANJXWANSXDWRN-OAHLLOKOSA-N 285.322 2.935 30 40 CFEB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 89948689 AOTGXYPLLHMLKS-XCRHUMRWSA-N 299.418 2.856 30 40 CFEB C=CCNC(=O)c1c(-n2cccc2)sc2c1CCC2 36360119 WDOVBJVICZQZNW-UHFFFAOYSA-N 272.373 2.943 30 40 CFEB Cc1ccc(/N=C\c2ccc(OCC(N)=O)cc2)c(C)c1 408904297 HPYBVFGVVYCBAS-GRSHGNNSSA-N 282.343 2.918 30 40 CFEB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(C#N)cc2)C1 40118845 IENYLHWCCSWGCY-GASCZTMLSA-N 299.418 2.656 30 40 CFEB COC(=O)[C@@H]1O[C@]1(C)c1cc(Cl)ccc1Cl 85657587 ZLDORLGIWWYZLR-GXSJLCMTSA-N 261.104 2.780 30 40 CFEB CN(CC#N)CC1(c2ccc(Br)cc2)CC1 96421177 FBJMRGAAKNBDSC-UHFFFAOYSA-N 279.181 2.936 30 40 CFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2CCCC2)c1 103504024 LMVGFBQVNKPPFN-AWEZNQCLSA-N 270.332 2.833 30 40 CFEB COc1cc(N/C=C/C(=O)C(F)(F)F)cc(OC)c1 2566976 ZCMWXBUBYGDVKO-ONEGZZNKSA-N 275.226 2.761 30 40 CFEB O=C(O)/C=C/c1cccc(/N=C2/C(=O)Nc3ccccc32)c1 6534237 AOHDIKOABVWDRN-CMDGGOBGSA-N 292.294 2.857 30 40 CFEB C[C@H]1O[S@@](=O)OC1(c1ccccc1)c1ccccc1 6670385 ACONWRLGPDTDKX-BLVKFPJESA-N 274.341 2.944 30 40 CFEB CCOc1ccc(Br)cc1C(=O)CC#N 106679542 MGQRKLNOANKZRA-UHFFFAOYSA-N 268.110 2.944 30 40 CFEB COc1ccccc1-c1nc(C#N)c(N2CCCC2)o1 542303 ZDAWTFDZJYPPHH-UHFFFAOYSA-N 269.304 2.822 30 40 CFEB N#Cc1ccc(O[C@@H]2CCCC[C@@H]2O)c(Cl)c1 42410903 VGBAQBOEHPPUEB-WCQYABFASA-N 251.713 2.894 30 40 CFEB O=c1[nH]c(/N=C/c2ccccc2Cl)cc(=S)[nH]1 6554068 ICBMIKAYXRUFKW-AWNIVKPZSA-N 265.725 2.836 30 40 CFEB CCN(CC)C(=O)/C=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366797 ULDRIUWGHBQBBL-RGCXAAHVSA-N 263.381 2.806 30 40 CFEB C=CCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 48137948 ZDEKOHYUUJROER-UHFFFAOYSA-N 263.316 2.733 30 40 CFEB C=C(Br)Cn1cnc2ccc(Cl)cc2c1=O 48834018 UVBTUGJTKVUPCU-UHFFFAOYSA-N 299.555 2.959 30 40 CFEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 13554721 BCKZVLHWPRWWSO-UHFFFAOYSA-N 277.736 2.684 30 40 CFEB N#Cc1ncc(C(F)(F)F)cc1Br 39298534 AAEOJRPLKSKYLF-UHFFFAOYSA-N 251.005 2.735 30 40 CFEB C=CCOc1ccc(C(=O)Nc2ccccn2)cc1OC 8163255 FGLAZSGBXYQRDM-UHFFFAOYSA-N 284.315 2.907 30 40 CFEB C[C@@H]1COCCN1c1cc(C#N)c2cc(Cl)ccc2n1 71914497 PPHLFQJYSWEXJN-SNVBAGLBSA-N 287.750 2.985 30 40 CFEB CCC[C@@](C)(CCCNC(=O)C(C)(C)C#N)C1OCCO1 72306520 ILGAIQHPKQNADD-INIZCTEOSA-N 296.411 2.612 30 40 CFEB N#Cc1cnc(NC(=O)c2cc(-c3ccccc3)on2)s1 56908297 AQHYELMDYWQJBZ-UHFFFAOYSA-N 296.311 2.922 30 40 CFEB CN(C)/C(N)=N/CC1(c2ccc(F)cc2F)CCCC1 185956060 IKJGFPUAVGJOSY-UHFFFAOYSA-N 281.350 2.653 30 40 CFEB CC(C)c1ocnc1CS(=O)(=O)CCC(C)(C)C#N 195579478 BMPOCYFVOWUPIE-UHFFFAOYSA-N 284.381 2.653 30 40 CFEB N#C[C@@H]1C[C@@H](c2ccccc2)c2sc(=O)[nH]c2S1 96306221 VVIJKNUONOKNRU-UWVGGRQHSA-N 274.370 2.956 30 40 CFEB CCC[C@@]1(C)CCCN(S(=O)(=O)CCCC#N)C1 96433545 QHFNQDBXGMOVLX-ZDUSSCGKSA-N 272.414 2.522 30 40 CFEB CC(C)N(Cc1ccc(C#N)cc1)C1CCOCC1 77323476 WXUDWGHHYMBYQR-UHFFFAOYSA-N 258.365 2.948 30 40 CFEB O=C1C[C@H](c2ccco2)CC2=N[C@@H]3CCCC[C@@H]3NC=C12 5201060 CBZHXTFUQISHNY-KWCYVHTRSA-N 284.359 2.965 30 40 CFEB N#Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 12504978 KXWOFDJBZRJMDJ-UHFFFAOYSA-N 279.324 2.920 30 40 CFEB N#Cc1cccc(C(=O)NCc2ccccc2F)c1 6881743 GCBVLDITLAWONX-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB C[C@@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 32644825 ZWUIULVZQIAUJV-SBDDDAINSA-N 254.333 2.830 30 40 CFEB C=C(C)CN(C)CC(=O)Nc1ccccc1Cl 32753425 CWFGXULPIVTNEJ-UHFFFAOYSA-N 252.745 2.786 30 40 CFEB C[C@@H]1C[C@@H]1N1C[C@H](Nc2c(Cl)cccc2C#N)CC1=O 78565652 ZIRKRSCWNBUJBP-XWIASGKRSA-N 289.766 2.633 30 40 CFEB N#C[C@H](C(N)=O)[C@H](CC(=O)c1ccccc1)c1ccccc1 1581429 BSUBFGTXOWTBKV-CVEARBPZSA-N 292.338 2.668 30 40 CFEB C=CCCC(=O)NC[C@@H]1COC2(CCCCCC2)O1 95991700 DKISHEBNPBWEPA-CYBMUJFWSA-N 267.369 2.535 30 40 CFEB CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=C/C1=N/O 101838248 DZFUMKYXWIWTMJ-ATZBGTEFSA-N 261.321 2.681 30 40 CFEB CC(C)c1cc(C(=O)N(C)C[C@@H](C)C#N)nn1C(C)(C)C 58330972 LMDOUKKLENDVTR-LBPRGKRZSA-N 290.411 2.993 30 40 CFEB COc1cc(/C=C2\CCc3c(cnn3C)C2=O)cc(OC)c1 47313252 HWIPTTNGXRMPSU-WUXMJOGZSA-N 298.342 2.650 30 40 CFEB CC1(C)[C@@H]2C[C@@H]3C(=CC[C@@H]4C(=O)C=CC(=O)[C@@H]43)[C@@H]1C2 100355858 LMMRHMDTCZGYNN-GKFOWCRESA-N 256.345 2.939 30 40 CFEB C=CCNC(=O)N[C@@H](C)c1ccccc1Br 26518063 ZHGIVHQTSODECG-VIFPVBQESA-N 283.169 2.995 30 40 CFEB O=C1/C(=C/c2ccccc2)CS(=O)(=O)c2ccccc21 9365342 LTEHPJVQXONERT-JLHYYAGUSA-N 284.336 2.740 30 40 CFEB C=CCNC(=O)NCc1cccc(COC(C)(C)C)c1 69841200 CPUYFXZJIPUYLP-UHFFFAOYSA-N 276.380 2.987 30 40 CFEB Cn1c(I)c(C#N)c2ccccc21 38227518 WDYAQGZILWGHJF-UHFFFAOYSA-N 282.084 2.655 30 40 CFEB CN(C)N/C(=C\C(=O)C(F)(F)F)c1ccc(Cl)cc1 408953192 LRTUILYOLRPRCG-YFHOEESVSA-N 292.688 2.879 30 40 CFEB C#Cc1cccc(NCc2cnc3nc(C)cc(C)n23)c1 130520981 LNJMYSKGWPRKMN-UHFFFAOYSA-N 276.343 2.940 30 40 CFEB CC(C)[C@H](C)S[C@@H](C(N)=O)c1ccc(C#N)cc1 95403431 IXQBMOXWHUEMIY-GXFFZTMASA-N 262.378 2.862 30 40 CFEB Fc1cccc(F)c1[C@H](OC[C@@H]1CO1)C(F)(F)F 95096089 KYGKBQSQFJSEJK-WKEGUHRASA-N 268.181 2.984 30 40 CFEB Cc1cc(C)c(C#N)c(NCc2cccc(N(C)C)n2)n1 269919755 AOYURSZTZSSAQK-UHFFFAOYSA-N 281.363 2.643 30 40 CFEB C[C@H]1CN(C)[C@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 5027505 BBOGVVJGROGHRN-UBNBHNNWSA-N 278.327 2.699 30 40 CFEB C=C(C)CNC(=S)N(CCC#N)c1ccccc1 16138583 GIEHGHRAVYMQMM-UHFFFAOYSA-N 259.378 2.857 30 40 CFEB CCOC(=O)Cc1csc(N/N=C\c2cccs2)n1 4482788 XYBXIDWDSQGYNF-QPEQYQDCSA-N 295.389 2.756 30 40 CFEB COc1cc(C#N)ccc1OCc1c(C)noc1C 5429854 QZJOQCHPDNMWRC-UHFFFAOYSA-N 258.277 2.751 30 40 CFEB N#Cc1cccnc1NCc1ccc(Cn2cccn2)cc1 16738658 HIDHOAPASBBHER-UHFFFAOYSA-N 289.342 2.810 30 40 CFEB CC(C)(C)[C@](C)(O)C#CC#C[C@](C)(O)C(C)(C)C 12364935 XMWWMDJAIAFYHT-IYBDPMFKSA-N 250.382 2.587 30 40 CFEB C=CCCC(=O)NCCc1ccc2c(ccn2C)c1 618256754 WJXMEFJWSOUAHX-UHFFFAOYSA-N 256.349 2.803 30 40 CFEB CN1CCCCC/C1=N/C(=S)CN1CCCC1=S 100402032 CJWVDKJZEARXDT-KAMYIIQDSA-N 283.466 2.641 30 40 CFEB COc1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1 19557897 ZNVTWXYJKNWRSR-UHFFFAOYSA-N 265.316 2.700 30 40 CFEB C=CCOCCCC(=O)N1c2ccnn2[C@H](C)C[C@@H]1C 74719274 FEGQKZSIEDEKFA-QWHCGFSZSA-N 277.368 2.552 30 40 CFEB CSc1ccccc1NC(=O)CSCC#N 58171690 WFLWLCFNNLUXNB-UHFFFAOYSA-N 252.364 2.604 30 40 CFEB CCCCCCCCNC(=O)C(=O)NCc1ccccc1 111500044 SRFYBTBJUNDTCP-UHFFFAOYSA-N 290.407 2.780 30 40 CFEB CC(C)Oc1ncc(C(=O)N(CC#N)C2CC2)cc1Cl 49425852 IXAXFWKDBUISKJ-UHFFFAOYSA-N 293.754 2.650 30 40 CFEB CC(C)N(CCNc1ccc([N+](=O)[O-])cc1C#N)C(C)C 5637560 RUDCPFOVRZMSLE-UHFFFAOYSA-N 290.367 2.997 30 40 CFEB C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 69780343 QWEGBMGLVCVIQM-UHFFFAOYSA-N 279.315 2.796 30 40 CFEB N#Cc1c(F)cccc1N[C@@H](CO)c1ccccc1 69737503 NFOOQYOGRGSDDH-HNNXBMFYSA-N 256.280 2.843 30 40 CFEB C=CCn1cc(C(=O)O[C@H](C)C(C)=O)c2ccccc21 95955557 HNXCHOCPEDUBPA-GFCCVEGCSA-N 271.316 2.962 30 40 CFEB O=C(O)[C@H](Cc1ccccc1)/N=C/c1ccccc1O 33368660 SPDLZINLBDKUKZ-MPMPPSQCSA-N 269.300 2.507 30 40 CFEB CCN(CC)c1ccc(N(C)C(=O)C(F)(F)F)cc1C#N 226280164 HKGJYOFPDDRXEH-UHFFFAOYSA-N 299.296 2.930 30 40 CFEB CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c(C#N)c1 225812772 GOGCXKPLEZPGFC-INIZCTEOSA-N 288.347 2.711 30 40 CFEB C=CCn1c(CN2CCCCC2)nc2ccccc2c1=O 255189118 NVCOVJBWSZNPFZ-UHFFFAOYSA-N 283.375 2.568 30 40 CFEB O=C1CSC(=S)N1/N=C\c1c(F)cccc1Cl 16925882 QUAJTQZWGQBPSE-PQMHYQBVSA-N 288.756 2.673 30 40 CFEB C/C(=N\Nc1nc(N)cc(Cl)n1)c1ccccc1 5289640 WUEKPXCZSIVTOF-CAOOACKPSA-N 261.716 2.548 30 40 CFEB CSc1nn(-c2ccc(Cl)cc2)c(N)c1C#N 338753 ALFXWXWAHYMTHL-UHFFFAOYSA-N 264.741 2.701 30 40 CFEB C=CCNC(=O)NCc1ccc(Cl)cc1Cl 32862628 XYDOZQWDAHTYMJ-UHFFFAOYSA-N 259.136 2.979 30 40 CFEB CC(=O)C1=C(O)C(=O)N(CC#N)[C@H]1c1ccc(C(C)C)cc1 813554 QLNNWLAVGPZKEK-HNNXBMFYSA-N 298.342 2.618 30 40 CFEB CCC[C@@H](C#N)NC(=O)CCc1nc2c(C)cccc2[nH]1 79020850 RZGUPCHKTDPTNG-LBPRGKRZSA-N 284.363 2.612 30 40 CFEB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC#N)C1CC1 58282831 ADWGXYVARGAAKP-SNVBAGLBSA-N 278.739 2.622 30 40 CFEB C=CCNc1nnc(SCc2nc(C(C)C)no2)s1 29137227 QHCJRZQRLWREKO-UHFFFAOYSA-N 297.409 2.935 30 40 CFEB N#CCCSc1ccccc1NC(=O)[C@@H]1CCCO1 95953557 ZMORRLFGDGCMNG-LBPRGKRZSA-N 276.361 2.810 30 40 CFEB C=CCn1c(S)nnc1CC[C@H](O)CCCCC 5735503 RMPISHCXCLWLTE-LLVKDONJSA-N 269.414 2.627 30 40 CFEB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC#N)cc2)cc1 7562822 SVDDLBKXMHHJLT-UHFFFAOYSA-N 295.294 2.959 30 40 CFEB CN(C(=O)c1cc(F)c(F)cc1F)c1ncccc1C#N 97085607 MQMHZKMLDRKCGZ-UHFFFAOYSA-N 291.232 2.647 30 40 CFEB COc1ccc(OC)c(CN(C)Cc2ccc(C#N)o2)c1 97032622 OYZCJAAKHDHQBP-UHFFFAOYSA-N 286.331 2.800 30 40 CFEB CCO[C@H](C)/C(O)=N/c1nc(Cc2cccc(F)c2)n[nH]1 97080814 OMGSPCMOOCSEMH-SECBINFHSA-N 292.314 2.548 30 40 CFEB C=CCO[C@H](C)C(=O)Nc1cnccc1N1CCCCC1 72281678 XXYXUQGWTZTWMX-CYBMUJFWSA-N 289.379 2.602 30 40 CFEB COC[C@](C)(C#N)NC(=O)C[C@H](C)c1ccc(F)cc1F 95434106 IARBKXIDSLZGAL-BONVTDFDSA-N 296.317 2.503 30 40 CFEB Cc1oc(/N=C/c2ccc(O)c(O)c2)c(C#N)c1C 408918950 RASWOKFSOUIADA-FRKPEAEDSA-N 256.261 2.930 30 40 CFEB Cc1ccccc1Cn1nc(C(C)(C)C)c(C#N)c1N 225843997 XOGCEBCJWLVHRZ-UHFFFAOYSA-N 268.364 2.991 30 40 CFEB COc1c(Br)cc(F)c(F)c1CC#N 258400643 MXOJCMIEYGKMKO-UHFFFAOYSA-N 262.053 2.802 30 40 CFEB CC1(C)[C@@H]2CN(c3ccc([N+](=O)[O-])c(C#N)c3)C[C@H]21 104431221 ZKPHFVRWIKVJSP-VXGBXAGGSA-N 257.293 2.559 30 40 CFEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1O 13539732 LRCZCFNUNZQGGK-LCYFTJDESA-N 295.294 2.745 30 40 CFEB CC(=O)Nc1ccc(/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 22521220 FARNDGGYSZQYNV-UHFFFAOYSA-N 298.302 2.590 30 40 CFEB COc1cccc(NC(=O)c2ccc(C#N)cc2)c1 5558401 JFVSDXVTRMGHKB-UHFFFAOYSA-N 252.273 2.819 30 40 CFEB N#CCCN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1 69325539 WPOXKTYZRTVBJT-UHFFFAOYSA-N 298.795 2.654 30 40 CFEB C[C@H](CC#N)N1CCN([C@H](C)c2cccc(F)c2)CC1 91980602 BSVCKQNSWGLWKC-ZIAGYGMSSA-N 275.371 2.806 30 40 CFEB COCCN(Cc1ccco1)c1ncc(C#N)cc1Cl 95965832 VZQKTGJUHSGATQ-UHFFFAOYSA-N 291.738 2.853 30 40 CFEB N#CCCOc1ccccc1I 35454444 OBTBDPFUGRGYDY-UHFFFAOYSA-N 273.073 2.584 30 40 CFEB CSc1nn2c(C(F)(F)F)cc(C)nc2c1C#N 215882290 PODPCMLOMPYZQM-UHFFFAOYSA-N 272.255 2.650 30 40 CFEB C=CCNc1nc(C(C)C)nc2c(C)nn(CC)c12 72238357 PYYZIXWNPSDYSX-UHFFFAOYSA-N 259.357 2.876 30 40 CFEB O/C(C#Cc1ccccc1)=N\c1nc2ccc(F)cn2n1 95430400 CBZMVSDDXUILFS-UHFFFAOYSA-N 280.262 2.508 30 40 CFEB CONC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 69699089 FCMXBQHHLIFVOY-UHFFFAOYSA-N 268.272 2.642 30 40 CFEB C=C1C[C@@H](C(=O)OCC)N(C(=O)OCc2ccccc2)C1 71789985 QRYJTBYZQXCSJW-AWEZNQCLSA-N 289.331 2.517 30 40 CFEB CCOc1ccc(Cl)cc1/C=N/n1cn[nH]c1=S 979063 YAHRHUIFICGIAA-MKMNVTDBSA-N 282.756 2.875 30 40 CFEB CC1(C)[C@H]2C[C@@H]3C(=CC[C@@H]4C(=O)C=CC(=O)[C@@H]43)[C@@H]1C2 5103454 LMMRHMDTCZGYNN-VGXKILOUSA-N 256.345 2.939 30 40 CFEB CC1(C)OB(c2cscc2Br)OC1(C)C 169969473 GOPPOKPDODINQQ-UHFFFAOYSA-N 289.003 2.810 30 40 CFEB COc1cc2c(cc1OC)CN(c1cc(C#N)ccn1)CC2 22242213 SDFHRYBEOYAXEE-UHFFFAOYSA-N 295.342 2.533 30 40 CFEB CC(=O)Nc1ccc(/C=N\Nc2ccc(C(=O)O)cc2)cc1 32654847 BETWVGGFXQINEP-YVLHZVERSA-N 297.314 2.789 30 40 CFEB N#Cc1ccc(N2CCCN(Cc3ccccn3)CC2)cc1 52800040 VUJXTZNFWYAFOJ-UHFFFAOYSA-N 292.386 2.666 30 40 CFEB CC(=O)Nc1ccc(/N=C/c2ccc(O)cc2O)cc1 587886 PDHPRRDZQOOVCM-CXUHLZMHSA-N 270.288 2.807 30 40 CFEB CC(=O)Nc1sc(CC#N)nc1-c1cccs1 6856995 GNCBVAWJPLYXME-UHFFFAOYSA-N 263.347 2.896 30 40 CFEB Cc1cccc(N/N=C2/C(=O)Nc3ccccc32)c1 7932145 XOGAGSYUAVSCIW-UHFFFAOYSA-N 251.289 2.763 30 40 CFEB CCOP(=O)(/N=C(/C(C)C)N(C)C)OCC 100348117 PGJPZBTXCKEPEE-KHPPLWFESA-N 250.279 2.784 30 40 CFEB N#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)cc1 49470080 WWLMTYHQFCVOLI-UHFFFAOYSA-N 286.718 2.890 30 40 CFEB CC(C)(C)c1ccc(/C=N/OCC(=O)NC2CC2)cc1 9453160 GXUZJZCZDVNFHC-LICLKQGHSA-N 274.364 2.613 30 40 CFEB N#CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 69434139 NQSBTRSVIHLABT-KGLIPLIRSA-N 274.751 2.958 30 40 CFEB C/N=C(/NCc1scnc1C)NC1CCC(C)CC1 73632284 HEBDBBWNGNNXHV-UHFFFAOYSA-N 280.441 2.695 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1cccc(F)c1 409107616 WZADFCAARTYPNT-OVCLIPMQSA-N 260.228 2.575 30 40 CFEB Cc1noc(C)c1CN(C)Cc1ccc(C#N)cc1 46406985 OIKGUPVTNBROOJ-UHFFFAOYSA-N 255.321 2.795 30 40 CFEB N#Cc1nc(N2CCc3ccc(O)cc3C2)ccc1Cl 195544043 MOCSZLDWNORSOP-UHFFFAOYSA-N 285.734 2.875 30 40 CFEB C=CCOC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1 5382793 BPIMUDWIBMXRGS-CHWSQXEVSA-N 254.713 2.957 30 40 CFEB C=CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 5830535 NRKJPPDJCHZNKJ-UHFFFAOYSA-N 296.326 2.720 30 40 CFEB C=CCNC(=O)Nc1nc(-c2ccccn2)cs1 43394372 CRADPWYJKAEFKN-UHFFFAOYSA-N 260.322 2.513 30 40 CFEB COc1cccc(-c2noc(-c3cc(C#N)cn3C)n2)c1 81534120 BBVFKHGANZISMK-UHFFFAOYSA-N 280.287 2.622 30 40 CFEB COc1ccc([C@H](CNc2ccc(C#N)cn2)N(C)C)cc1 40480073 VFYFGCFCMFNCKJ-INIZCTEOSA-N 296.374 2.677 30 40 CFEB CC[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCS1 78940398 UFYACIHGDPMLCV-AWEZNQCLSA-N 289.404 2.595 30 40 CFEB Cc1nn(CCc2ccccc2Cl)c(=O)c(C#N)c1C 58191064 URLRILXPWPKJPV-UHFFFAOYSA-N 287.750 2.628 30 40 CFEB C[C@](N)(C#N)CCCSc1nc2ccccc2o1 45365103 BODYCWBRYRWOBR-CYBMUJFWSA-N 261.350 2.941 30 40 CFEB in-vitro C=CCS(=O)(=O)/N=C(\O)[C@H](CC)c1ccccc1 95447819 UZHVSCSTRMSGOY-GFCCVEGCSA-N 267.350 2.653 30 40 CFEB C=CCNC(=O)CSc1nccc(-c2cccs2)n1 2789688 PZWHYLRHKDAMGM-UHFFFAOYSA-N 291.401 2.599 30 40 CFEB N#C[C@@H](C(=O)CCC1CCCC1)C(=O)NCc1ccccc1 49486192 BDXDDTCPWVAEIF-INIZCTEOSA-N 298.386 2.982 30 40 CFEB Cc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 4453178 ANIUPVPHYYIJMO-ZDUSSCGKSA-N 299.351 2.922 30 40 CFEB Cc1c(/C=C/C(=O)c2cc3ccccc3oc2=O)cnn1C 71785026 INVNCULWOCUSFJ-BQYQJAHWSA-N 294.310 2.731 30 40 CFEB C=CCNC(=O)c1oc2ccccc2c1COCC 7949319 FBLMJHOPMJPNIR-UHFFFAOYSA-N 259.305 2.885 30 40 CFEB C[C@H](Cn1cncn1)Nc1ccc(C(F)(F)F)c(C#N)c1 97104588 MIRSYPITNQVNOI-SECBINFHSA-N 295.268 2.669 30 40 CFEB CNC(=NCc1cccc(COCc2ccccc2)c1)NC 97199647 FLGNECWGSXEKOP-UHFFFAOYSA-N 297.402 2.698 30 40 CFEB O=C1Nc2ccccc2C(=O)/C1=C\Nc1ccccc1 107464785 OPRCAIYSBBFTJE-JLHYYAGUSA-N 264.284 2.817 30 40 CFEB C[C@@H](NCCO[C@@H]1CCCCO1)c1ccc(C#N)cc1F 390835852 ZYUYXEAVUDLAOC-MLGOLLRUSA-N 292.354 2.891 30 40 CFEB CC(C)(C(=O)NCC#N)c1cccc(C(F)(F)F)c1 69619253 INEQJBYZRQLRHE-UHFFFAOYSA-N 270.254 2.623 30 40 CFEB C=C(C)CSc1nc2sccc2c(=O)n1C 10023414 VOWCZDHZHXRQRF-UHFFFAOYSA-N 252.364 2.663 30 40 CFEB Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 203850307 RMMPOFYZRFLCIV-UHFFFAOYSA-N 254.085 2.572 30 40 CFEB in-vitro Fc1ccc(C#CCO[C@H]2CCCCO2)c(F)c1 4277489 NOKFQAFJMJGYLE-AWEZNQCLSA-N 252.260 2.860 30 40 CFEB CCn1c2cc(C)sc2c2cnn(CCC#N)c(=O)c21 13566074 DLOALPXAGGFDJD-UHFFFAOYSA-N 286.360 2.655 30 40 CFEB Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccncc2)cc1 420080 CVCHHFKUDWKMLE-CQSZACIVSA-N 265.316 2.711 30 40 CFEB Cc1ccc(CNc2nnc(C)c(C)c2C#N)cc1 12782817 VTRQKAXRPAYUAR-UHFFFAOYSA-N 252.321 2.886 30 40 CFEB C=CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50081782 FSLZOISZYFTYIT-CHWSQXEVSA-N 289.379 2.608 30 40 CFEB C#CCN1C(=O)/C(=N\c2ccc(OC)cc2)c2ccccc21 100346763 XJCLABOFFFNWIB-ZPHPHTNESA-N 290.322 2.796 30 40 CFEB CCCCN(C)C(=O)Cn1cc(C#N)c2ccccc21 51319048 RSFICYPTFAXNOL-UHFFFAOYSA-N 269.348 2.771 30 40 CFEB C=C(Cl)CNCc1cc2c(cc1OC)C[C@@H](C)O2 78823320 KQUKFGSVCWWYHX-SNVBAGLBSA-N 267.756 2.861 30 40 CFEB COc1ccccc1C[C@H](C)NCc1cc(C#N)n(C)c1C 58005759 CBKIMARLCUPABO-ZDUSSCGKSA-N 297.402 2.935 30 40 CFEB Cc1nn(C)c(C)c1/N=C/c1cccc([N+](=O)[O-])c1 59475499 MFXCPVKORBUQOW-RIYZIHGNSA-N 258.281 2.696 30 40 CFEB CN(C)CCCNC1=CC(=O)C[C@@H](c2ccccc2)C1 100152299 WBYOFEUSSOXXSY-HNNXBMFYSA-N 272.392 2.558 30 40 CFEB C#CCNC(=O)c1cccc2c3c([nH]c12)CCCCC3 12948116 YXQZOFFMQDNROF-UHFFFAOYSA-N 266.344 2.800 30 40 CFEB C=CCc1cc(/C=C/C(=O)c2cnn(C)c2)cc(OC)c1O 65593204 QMYCDUMOYRTGCG-VOTSOKGWSA-N 298.342 2.759 30 40 CFEB COc1ccccc1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 14472306 LNNALUVVQIHEOU-LBPRGKRZSA-N 297.310 2.940 30 40 CFEB N#CC1(NC(=O)c2ccc(Oc3ccccc3)o2)CC1 96451306 PJMHAZCXVZEVKQ-UHFFFAOYSA-N 268.272 2.858 30 40 CFEB CCCC/N=C(\S)N(C)/N=C/c1ccc2c(c1)OCO2 8691250 KQJWUNCTGRNVAW-CXUHLZMHSA-N 293.392 2.767 30 40 CFEB C/C(=N/Nc1nc(C)cc(C)n1)c1cccc([N+](=O)[O-])c1 33391282 QQIUSJQLURWZNI-BOPFTXTBSA-N 285.307 2.838 30 40 CFEB Cc1cc(C)n(CC2CCN(c3cccc(C#N)n3)CC2)n1 195545974 QFXRZRCFMHXSLK-UHFFFAOYSA-N 295.390 2.683 30 40 CFEB N#C[C@@H](NC(=O)c1cccc(F)c1Cl)C1CC1 90866219 WKMLVHANAQJZER-SNVBAGLBSA-N 252.676 2.511 30 40 CFEB CCO[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)C12CCC2 195535345 YQUPAZSJXYTCKN-ZIAGYGMSSA-N 257.337 2.713 30 40 CFEB C=C(Br)CN(C)[C@H](C)c1ccncc1 96485796 JHBLIHSOTKVXFV-SNVBAGLBSA-N 255.159 2.983 30 40 CFEB C=CCN/C(=N/C#N)SCC(=O)c1ccc(Cl)cc1 12363563 OORYNHLAISTKHN-UHFFFAOYSA-N 293.779 2.869 30 40 CFEB O=CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 15446507 CNEFTNPXPQDBGA-CYBMUJFWSA-N 261.321 2.624 30 40 CFEB O=S(=O)(Cc1ccccc1)[C@H]1CCC=CCC/C1=N\O 18144917 HOSDPKTXOHXLRY-VBGNCMASSA-N 293.388 2.930 30 40 CFEB C=CCNC(=S)N/N=C/c1ccccc1OCC(C)C 169883888 VXBQEWYUYHLSFO-LICLKQGHSA-N 291.420 2.705 30 40 CFEB COc1cc(C#N)ccc1OC(=O)c1ccccc1 3621172 ONJGJMCUHNBLDR-UHFFFAOYSA-N 253.257 2.786 30 40 CFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C)C1 5936333 XEYJCGJAFIJQDT-OLZOCXBDSA-N 271.364 2.617 30 40 CFEB CC1(C)CC(=NOC(=O)c2ccncc2)CC(C)(C)N1O 36836 VWUJVCQBFXREPZ-UHFFFAOYSA-N 291.351 2.637 30 40 CFEB C#CCOC(=O)CCCC(=O)NCCCCCCCC 17434084 XQPYOEPCKGVDOK-UHFFFAOYSA-N 281.396 2.810 30 40 CFEB C=CCN1CCCC12CCN(C(=O)c1ccc(C)o1)CC2 2055822678 AHEFMVIWWYQXTI-UHFFFAOYSA-N 288.391 2.845 30 40 CFEB CC(C)c1nc(NCCCO)c(C#N)c2c1CCCC2 20827102 IQDINAMKUJNUJS-UHFFFAOYSA-N 273.380 2.750 30 40 CFEB C/C(=N\Nc1ccccc1C(=O)O)c1scnc1C 41700225 PSPJCIJNTDVJTG-OQLLNIDSSA-N 275.333 2.986 30 40 CFEB C=CCNC(=S)N1CCC(c2ccccc2)CC1 6262012 SUKSAFLQSAGHRW-UHFFFAOYSA-N 260.406 2.927 30 40 CFEB O=[N+]([O-])c1ccc(/C=N\N=C\c2ccc([N+](=O)[O-])cc2)cc1 8579374 YWEOYAUKSPQBMW-CKOAPEAFSA-N 298.258 2.956 30 40 CFEB C[C@@H](C#N)NC(=O)C(C)(C)c1ccccc1Cl 95350136 HNUNIRRMMJSUOP-VIFPVBQESA-N 250.729 2.646 30 40 CFEB N#Cc1c(F)cccc1NCCN1CCCCCC1 60355816 USJZUTVVCWIKGT-UHFFFAOYSA-N 261.344 2.985 30 40 CFEB C#CCNC(=O)/C=C/c1cc(Cl)c(OC)c(OCC)c1 12796220 LRWWDIFXFNBGJC-VOTSOKGWSA-N 293.750 2.510 30 40 CFEB N#Cc1cccc(NC(=O)COc2ccc(F)cc2F)c1 14198749 AMNCZYTYOQMSPF-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 69615863 SCRFLJAYZLPFCG-RYUDHWBXSA-N 273.336 2.508 30 40 CFEB Cc1cc(C)n(C[C@@H](C)Nc2ccc(Cl)c(C#N)n2)n1 96429279 QXJVJCIMQDQJHQ-SNVBAGLBSA-N 289.770 2.921 30 40 CFEB C[C@H](N[C@H](CO)c1ccco1)c1ccc(C#N)cc1 96493427 QTOKZPKZDHQKIB-SMDDNHRTSA-N 256.305 2.535 30 40 CFEB Cc1cc(Cn2cnc(C#N)c2C#N)c2ccccc2n1 97232548 PPIYQXDYRIRKNF-UHFFFAOYSA-N 273.299 2.531 30 40 CFEB CC(C)(C)C(=O)O/N=C(\N)c1ccc(Br)cc1 13635691 QSDHCAJGIZLUHB-UHFFFAOYSA-N 299.168 2.659 30 40 CFEB CCOc1ccc(CN(C)c2ccc(C#N)cn2)cc1OC 44893290 QVECEIPOOKIQFT-UHFFFAOYSA-N 297.358 2.997 30 40 CFEB CCC/N=C/c1c(O)c2ccccc2n(CC)c1=O 100182206 TZMADPBJWMOQBO-MHWRWJLKSA-N 258.321 2.556 30 40 CFEB N#Cc1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1 11229910 IXUVQDFUHLDQMI-UHFFFAOYSA-N 288.253 2.854 30 40 CFEB CCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)O 100924206 CGAKNEVMTVWEBR-KHPPLWFESA-N 299.411 2.589 30 40 CFEB CN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1(C#N)CCC1 48274514 SVCJWJYJCDLREX-UHFFFAOYSA-N 292.722 2.587 30 40 CFEB C#CCNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C 89941476 HFISBVQWMSXAQT-ZDUSSCGKSA-N 294.354 2.594 30 40 CFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccc(C)s1)CCO2 107064210 WRXTXSQVMPRTAD-OAGGEKHMSA-N 293.432 2.991 30 40 CFEB C=CCCC(=O)NCCc1nc2c(C)cccc2o1 76068571 TWQPDFWAYYNTFP-UHFFFAOYSA-N 258.321 2.761 30 40 CFEB C=CC[C@@H](NCCCN1CCOCC1)c1ccccc1F 6856282 SRRJCKRYVAEWDA-QGZVFWFLSA-N 292.398 2.755 30 40 CFEB CC(C)NC(=O)CCNc1ccc(Cl)cc1C#N 69700845 MHSKRGVUEVGBGW-UHFFFAOYSA-N 265.744 2.538 30 40 CFEB N#Cc1cccc(C(=O)NCc2cc(F)cc(F)c2)c1 72331662 WUDAFXBAPZVGTA-UHFFFAOYSA-N 272.254 2.766 30 40 CFEB N#CC1(NC(=O)Cc2c[nH]c3ccccc23)CCSCC1 95440088 HVDHASLVSRLKPD-UHFFFAOYSA-N 299.399 2.616 30 40 CFEB Fc1ccc([C@@H](OC[C@@H]2CO2)C(F)(F)F)cc1 95095922 XEPWDPZPVJDBEM-VHSXEESVSA-N 250.191 2.845 30 40 CFEB CC[C@H](O[C@H]1CCC[C@H](C)C1)/C(O)=N/c1ncn[nH]1 96436049 MXIJCSYJHZQSKT-DCAQKATOSA-N 266.345 2.767 30 40 CFEB N#C[C@@H](C(=O)C[C@H]1CCCO1)c1nc2ccccc2o1 54736066 IDYZXUXYQDLJCO-MNOVXSKESA-N 270.288 2.573 30 40 CFEB N#Cc1c(Br)nc(-c2ccccc2)c(C#N)c1N 78550024 JCQAWMYLQYDKSU-UHFFFAOYSA-N 299.131 2.837 30 40 CFEB Cc1nc(N)sc1C(=O)/C=C/c1ccc2c(c1)OCO2 16957588 OKEZPFXHWCRHRE-DUXPYHPUSA-N 288.328 2.659 30 40 CFEB CC/N=C1/S/C(=C/c2ccccc2)C(=O)N1CC 17164612 RSUWXQCVAKFGEO-CXQIITPCSA-N 260.362 2.999 30 40 CFEB N#Cc1ncn(Cc2coc(-c3cccc(Cl)c3)n2)n1 26113466 UHNFLDPXXHAKQV-UHFFFAOYSA-N 285.694 2.506 30 40 CFEB C(=N\C[C@@H]1COc2ccccc2O1)\c1ccc2c(c1)OCO2 100058734 XVIYZLYBGDVINE-KURMNSRBSA-N 297.310 2.674 30 40 CFEB CN(C)c1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1 288264 FYPVXYXVFUXJDG-WOJGMQOQSA-N 267.332 2.602 30 40 CFEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCCCC1 32769940 IGBQHMPLSMWDJE-MRXNPFEDSA-N 279.428 2.553 30 40 CFEB COc1ccccc1NC(=O)c1sc(N)c(C#N)c1C 355428 DNAYOQWIEGYORL-UHFFFAOYSA-N 287.344 2.771 30 40 CFEB COc1ccc(-c2csc(CC#N)n2)cc1OC 3268445 NQABLEQOUYIUJC-UHFFFAOYSA-N 260.318 2.893 30 40 CFEB CO[C@H](CNc1ccc(C#N)cn1)c1ccccc1 43510893 AAYQWRFFXOBXCK-CQSZACIVSA-N 253.305 2.753 30 40 CFEB CC(C)Cc1nc(C#N)c(NCc2cccnc2)o1 27020515 FGCNQLPXZLBPGK-UHFFFAOYSA-N 256.309 2.752 30 40 CFEB C=CCNc1nnc(S[C@@H]2CCCCC2=O)s1 11526844 UBBZAKZHKCEKAP-SECBINFHSA-N 269.395 2.740 30 40 CFEB C[C@H]1CCC(=O)/C(=C/NCc2ccc3c(c2)OCO3)C1 110256450 CVMZTXWCKJIORU-GJSJWPQCSA-N 273.332 2.778 30 40 CFEB N#CC1(C(=O)N[C@H]2CCc3c(O)cccc32)CCCC1 71905652 PIHLLQODYJXVRT-ZDUSSCGKSA-N 270.332 2.580 30 40 CFEB COc1cccc(C#CCOC(=O)c2c(C)noc2C)c1 75094076 HSCMGUHLBVMMSO-UHFFFAOYSA-N 285.299 2.509 30 40 CFEB N#Cc1cccc(Cn2ccc(-c3cccnc3)n2)c1 216693886 FHOHYLPXCPDZTF-UHFFFAOYSA-N 260.300 2.865 30 40 CFEB COC(=O)[C@@]1(C)O[C@@]1(C)c1ccccc1Br 85657892 YDTQTVDNNUAZHY-NWDGAFQWSA-N 285.137 2.626 30 40 CFEB Cc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 160727 MTDSWPREMZZADO-LICLKQGHSA-N 264.284 2.625 30 40 CFEB N=C(N/N=C/c1c[nH]c2ccccc12)c1ccccn1 6243776 GRISKXDZMAYGNZ-VXLYETTFSA-N 263.304 2.512 30 40 CFEB CN(C)C=Nc1nc(C(Cl)(Cl)Cl)ns1 394369697 WFJHGUGVUSLMIQ-UHFFFAOYSA-N 273.576 2.586 30 40 CFEB CSc1cccc(NC(=O)CSCC#N)c1 40505043 MRSMBARURHOXFK-UHFFFAOYSA-N 252.364 2.604 30 40 CFEB CCOC(=O)[C@@]1(Cc2ccccc2C#N)CCCCC1=O 2046197 ZGWOTCZGVPAFCC-QGZVFWFLSA-N 285.343 2.793 30 40 CFEB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccccc1C#N 2805338 FSCRCFHGHOEWCU-JTQLQIEISA-N 288.738 2.683 30 40 CFEB COc1ccc(OC)c(-n2c(C)c(C)c(C#N)c2N)c1 6659443 XLZYEYBMGQHRIB-UHFFFAOYSA-N 271.320 2.565 30 40 CFEB S=C(NCCc1ccccc1)N/N=C1/C[C@@H]2CC=C[C@@H]12 36234977 ZCCMBAOBDVBZME-GZJPWILPSA-N 285.416 2.645 30 40 CFEB Cc1ccc(C(=O)OCc2ccccc2C#N)c(O)c1 2633739 NRDIDPLXRHSTAM-UHFFFAOYSA-N 267.284 2.929 30 40 CFEB N#CCSc1cc(C(=O)NC2CC2)c2ccccc2n1 12813091 BSIGERPSHHZGHN-UHFFFAOYSA-N 283.356 2.743 30 40 CFEB COCCCN[C@H](C#N)c1cccc(Br)c1 20176173 KMSREOHBONTVMM-GFCCVEGCSA-N 283.169 2.640 30 40 CFEB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CC#N)Cc1ccccc1 69567342 ROPFMWVWLHVYMF-HZPDHXFCSA-N 299.418 2.802 30 40 CFEB Cc1c(Oc2ccc(C(N)=O)cc2)cc(C#N)cc1[N+](=O)[O-] 92582823 WZEFTJGCEQATOD-UHFFFAOYSA-N 297.270 2.666 30 40 CFEB NC(=O)Cn1cc(/C=N\c2ccccc2O)c2ccccc21 409385115 JFYILXSQJRLSIK-OCKHKDLRSA-N 293.326 2.583 30 40 CFEB C=CCOc1c(Br)csc1C(=O)O 96511013 SLNYKKCDRPPIKR-UHFFFAOYSA-N 263.112 2.774 30 40 CFEB N#Cc1cccc(N2CCN(c3cccc(Cl)c3)CC2)n1 80116682 AOSGCBLSDYEXKH-UHFFFAOYSA-N 298.777 2.933 30 40 CFEB CC(=O)O/N=C(\C)[C@]12CCCC[C@@H]1[C@H](O)CCC2 5053088 HOSUPCYVHWYJGB-KEEBTURHSA-N 253.342 2.647 30 40 CFEB CN1C(=S)S[C@@H](/[N+]([O-])=C\c2ccccc2F)C1(C)C 13635267 QAJDDXKAIBVJCF-FNQVVVRFSA-N 298.408 2.823 30 40 CFEB O=C(Nc1ccc2c(c1)OCO2)O/N=C/c1ccccc1 1669296 IKDJWSFKJOKTRQ-CXUHLZMHSA-N 284.271 2.998 30 40 CFEB Cc1nc(/C=C/C(=O)[C@@H](C#N)C(=O)OC(C)(C)C)cs1 101669139 GBBYRPFYMTXCBM-MVIFTORASA-N 292.360 2.515 30 40 CFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)s1 103503497 YENKMNWBXMLQFI-ZDUSSCGKSA-N 298.367 2.695 30 40 CFEB C=CCNC(=O)CSCc1nc2ccccc2s1 22406748 CAEABCZWEZQNMG-UHFFFAOYSA-N 278.402 2.832 30 40 CFEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)c(F)c1 42296647 OTLMJDJRNTWNNU-VIFPVBQESA-N 252.264 2.587 30 40 CFEB CC1(C)[C@@H]2C[C@H]1C[C@@H]1C2=CC[C@@H]2C(=O)C=CC(=O)[C@@H]21 4280991 LMMRHMDTCZGYNN-CSTFGSAOSA-N 256.345 2.939 30 40 CFEB C=CCN1C(=O)/C(=C/c2ccccc2O)SC1=S 1515304 KDXMRGRMHDOBTR-FLIBITNWSA-N 277.370 2.779 30 40 CFEB CN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1F 26329245 KKWZDOVSSICBDH-QGZVFWFLSA-N 284.334 2.863 30 40 CFEB Cc1ccc(N/N=C2\N=C(c3ccccc3)OC2=O)cc1 12447752 HMGGZFFXLSYEHR-RGEXLXHISA-N 279.299 2.724 30 40 CFEB N#CCC[C@H](C#N)Cn1nc(N2CCCC2)sc1=S 49002181 NJCOTQJWPPGKMH-SNVBAGLBSA-N 293.421 2.718 30 40 CFEB C#CCN(Cc1cnc2ccc(C#N)cn12)C1CCCC1 93819757 LBLDLKDIMXUTQJ-UHFFFAOYSA-N 278.359 2.584 30 40 CFEB COc1ccc(CNc2ccc(F)cn2)cc1C#N 95990020 XXBVGHZUMNILCE-UHFFFAOYSA-N 257.268 2.713 30 40 CFEB CC[C@@](C)(C#N)NC(=O)CCCOc1ccccc1C 69463935 WDQQOSSCNSZVGJ-INIZCTEOSA-N 274.364 2.963 30 40 CFEB Cc1cc(NC(=O)COc2ccc(C#N)cc2Cl)no1 18963495 DLKNSVCJWBTXSP-UHFFFAOYSA-N 291.694 2.526 30 40 CFEB C#CCN(CCOc1ccccc1)Cc1cccc(C)n1 72305019 SKRZJVAVWQEQTG-UHFFFAOYSA-N 280.371 2.904 30 40 CFEB N#Cc1cscc1C(=O)N1CCC2(CCOCC2)CC1 335796994 FOBUNILTNYUMLL-UHFFFAOYSA-N 290.388 2.653 30 40 CFEB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C#N 3491594 PYUMPVZPHWPBEP-JTQLQIEISA-N 269.304 2.558 30 40 CFEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 7309009 CODPIEOTCWQMBQ-JTQLQIEISA-N 292.385 2.659 30 40 CFEB Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(O)c1 6454111 IRRMNFRCJBYRLN-UHFFFAOYSA-N 252.273 2.825 30 40 CFEB CSc1nsc(N/N=C/c2ccc(O)cc2)c1C#N 4482120 UKCHCKXBRNMBBH-VGOFMYFVSA-N 290.373 2.888 30 40 CFEB C=CCN1CCO[C@@H]2CCN(CC(CC)CC)CC[C@H]21 2055730078 XJZFKBQXMYNSRI-IAGOWNOFSA-N 280.456 2.774 30 40 CFEB O=C(/C=C(/NCCO)C(F)(F)F)c1ccc(Cl)cc1 100076263 KFJZVRQFMOJCQE-YRNVUSSQSA-N 293.672 2.551 30 40 CFEB C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1cccc(C#N)c1 108336213 XIIZPFSITDJMSI-TYNCELHUSA-N 292.404 2.661 30 40 CFEB C#CC(C)(C)OC(=O)/C=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 100364670 OJFOSOPSIPJWLB-KEARYDCXSA-N 274.360 2.893 30 40 CFEB Cc1nc(C)c(C(=O)/C=C/c2sccc2C)c(=O)[nH]1 44907046 YRHXBTCJHJJWRW-SNAWJCMRSA-N 274.345 2.653 30 40 CFEB CCCCCCCCNCc1cnc(NC)nc1 103596217 AZSNEESDHNSBBW-UHFFFAOYSA-N 250.390 2.968 30 40 CFEB Cc1sc2nc(SCCC#N)n(C)c(=O)c2c1C 9376614 YNQXHSUSZLGSMG-UHFFFAOYSA-N 279.390 2.618 30 40 CFEB CC(=O)N(C)c1ccc(/N=C2/C(=O)Nc3ccccc32)cc1 16133929 LGOXQRSTNXHFNN-UHFFFAOYSA-N 293.326 2.742 30 40 CFEB C=CCN(Cc1ccccc1)S(=O)(=O)C(C)(C)C 90991414 PLCMVEOXXBDOQV-UHFFFAOYSA-N 267.394 2.803 30 40 CFEB CC(=O)c1ccccc1NC(=O)CNc1cccc(C#N)c1 7974322 CLMYJFORZIKKPG-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB COc1ccc(CC(=O)N[C@@](C)(C#N)C2CC2)c(Cl)c1 89368599 WYBDLGFFJAYKMW-HNNXBMFYSA-N 292.766 2.700 30 40 CFEB CCOC(=O)c1ccc(N/C=C2/CCCC2=O)cc1 409178022 IEYVCHRRODKFIS-BENRWUELSA-N 259.305 2.912 30 40 CFEB N#Cc1c(-c2cccc(Br)c2)cc[nH]c1=O 41412383 KBRWESSJWNCIHB-UHFFFAOYSA-N 275.105 2.676 30 40 CFEB C=CCOCc1cncc2c1CCN(Cc1cccnc1)C2 96059285 VCDFJAGHIKDEAI-UHFFFAOYSA-N 295.386 2.738 30 40 CFEB CC(C)[C@@]12C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1O2 242538729 JDPPCJDVUVFIMG-GYSYKLTISA-N 255.358 2.809 30 40 CFEB N#Cc1ncn(-c2ccc(Br)cc2F)c1C#N 95915737 AOVZXOYVBMWFRH-UHFFFAOYSA-N 291.083 2.517 30 40 CFEB Cc1nnc(S)n1/N=C/c1ccc(OCC(C)C)cc1 5486184 NHBASTMFXLUMJG-OVCLIPMQSA-N 290.392 2.792 30 40 CFEB C[C@@H](NCCc1ccccn1)c1ccc(C#N)cc1 19916566 CUEIIYHXWCTNRR-CYBMUJFWSA-N 251.333 2.847 30 40 CFEB Cc1sc(NC(=O)c2ccc(C#N)cc2)c(C(N)=O)c1C 5144870 AXLOEJCEKLGPBH-UHFFFAOYSA-N 299.355 2.588 30 40 CFEB O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)Nc1nonc1N2 12389400 XHKCYSLHXHASQQ-TVQRCGJNSA-N 286.335 2.639 30 40 CFEB C[C@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 51319116 LQNXQVCQYKZWPB-ZDUSSCGKSA-N 281.359 2.771 30 40 CFEB CC#C[P@](=O)(OC)[C@](O)(CF)c1ccccc1 547948 JOUKWMOMHKSHCK-PXAZEXFGSA-N 256.213 2.707 30 40 CFEB CN1CCCC[C@@H]1CCOC(=O)c1cccc(C#N)c1 78253978 SBBISCZKDNMLGU-OAHLLOKOSA-N 272.348 2.589 30 40 CFEB N#CCCN(CCC1CCCC1)C[C@H]1CCOC1 78876496 NUXNFCYCIXEEJM-OAHLLOKOSA-N 250.386 2.819 30 40 CFEB CN(CC(=O)[C@@H](C#N)c1ccccc1)c1ccccc1 1855761 DZBBLJWSVLNSSO-INIZCTEOSA-N 264.328 2.999 30 40 CFEB COc1ccc(C(=O)OCc2ccccc2C#N)c(OC)c1 8070991 NMIBKTKRLZHICD-UHFFFAOYSA-N 297.310 2.932 30 40 CFEB C[C@H]1CCC[C@@H](C)N1C(=O)CNc1cccc(C#N)c1 54531046 FCOSGYPGULJCCA-BETUJISGSA-N 271.364 2.760 30 40 CFEB N#Cc1ccc(NC(=O)c2ccccn2)cc1Cl 3326040 XMOCTHXXLSLWGS-UHFFFAOYSA-N 257.680 2.859 30 40 CFEB N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2c(c1)OCCO2 6345714 WRDPLSZNBCYZSI-UHFFFAOYSA-N 297.270 2.981 30 40 CFEB N#CCCN(CCC(F)(F)F)C(=O)c1ccccc1O 96490096 BTTUVHKDNLJRTR-UHFFFAOYSA-N 286.253 2.700 30 40 CFEB O=S(=O)(/N=C(\O)c1ccc(F)c(F)c1)C1CCCC1 84340976 QZIZNPLOUFGCPW-UHFFFAOYSA-N 289.303 2.542 30 40 CFEB CC[C@@H]1CC[C@H](C)N1C(=O)COc1ccc(CC#N)cc1 95458845 BTTKSZXWJDEVPJ-DZGCQCFKSA-N 286.375 2.921 30 40 CFEB C=CCN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O 409075135 VAPWHXRTHFJVAH-FMIVXFBMSA-N 275.329 2.918 30 40 CFEB C=CC(C)(C)c1cc2cc(OC)c(O)c(O)c2oc1=O 487504 DKHNSBVDPXUWGV-UHFFFAOYSA-N 276.288 2.676 30 40 CFEB biogenic C=CCNC(=S)N1CCCC[C@@H]1c1cccnc1 2307055 WKADGGRDBNBZIB-CYBMUJFWSA-N 261.394 2.669 30 40 CFEB biogenic CCNC(=S)N/N=C/c1ccc(O[C@@H](C)CC)cc1 409373779 VISOVTPDHDZUSK-YAFRSCOQSA-N 279.409 2.682 30 40 CFEB C[C@H]1Oc2ccccc2CN(c2ccc(C#N)cc2)C1=O 64542450 IZPAXYBPLDAMNE-GFCCVEGCSA-N 278.311 2.872 30 40 CFEB C=CCNC(=S)Nc1ccc(C(=O)O)c(Cl)c1 216927613 YQSWFIPDRDZNIK-UHFFFAOYSA-N 270.741 2.511 30 40 CFEB C=CCOC(=O)c1cc(Br)cc2nc[nH]c12 73633945 VHIXYSYPUDKYKH-UHFFFAOYSA-N 281.109 2.668 30 40 CFEB CCc1c(N)cc(C#N)n1CCOc1ccc(OC)cc1 225862351 QXOVXCDPUNUYEX-UHFFFAOYSA-N 285.347 2.592 30 40 CFEB Cc1ccc(CN(C)CC#N)c(Br)c1 95982647 XCFIYEPXXBFDJK-UHFFFAOYSA-N 253.143 2.713 30 40 CFEB C=CCCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 96456511 JBNKJPSUUJSFPQ-UHFFFAOYSA-N 262.309 2.912 30 40 CFEB Cc1ccc(C(=O)/C(Cl)=C(\Cl)C(=O)O)cc1 162124 VCMCBBIKYGLVQC-CMDGGOBGSA-N 259.088 2.952 30 40 CFEB Cc1ccc(-c2nnc(S)n2/N=C\c2ccccn2)cc1 6032909 QFCLTPNSVUFEOL-YVLHZVERSA-N 295.371 2.819 30 40 CFEB C=CC/N=C(\SCCN(CC)CC)N(CC)CC 16693701 GJTOCYMZLZSZDV-PFONDFGASA-N 271.474 2.945 30 40 CFEB CCCCC/C(C)=N\NS(=O)(=O)c1ccc(N)cc1 4367052 IUWCNPXIKQKRRE-PTNGSMBKSA-N 283.397 2.503 30 40 CFEB N#Cc1ccc(C(=O)NCc2ccccc2F)cc1 6649548 XFGSZIHYIFUJJD-UHFFFAOYSA-N 254.264 2.627 30 40 CFEB N#C[C@H](c1ccco1)N1CCC(c2ccccc2)=N1 4770776 FKLCKCGCFQYQBC-CQSZACIVSA-N 251.289 2.954 30 40 CFEB C=CCn1/c(=N/C(C)=O)sc2cc(OCC)ccc21 100874993 BMPNVHWUYGRYON-PFONDFGASA-N 276.361 2.735 30 40 CFEB C#CCNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 32488741 GDEAZULNISQYRC-MRVPVSSYSA-N 272.131 2.510 30 40 CFEB Cc1csc([C@@H](C#N)C(=O)CSc2ccccn2)n1 23105080 OWSMJVJRPXHAAT-JTQLQIEISA-N 289.385 2.815 30 40 CFEB C=CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 47713808 KXRMHADKVMIQSE-UHFFFAOYSA-N 260.215 2.735 30 40 CFEB C[C@]12CN(C(=O)c3ccco3)[C@]3(C#N)C[C@@H]1CC[C@@]23C 101023529 FWQIXDFKAFWAKS-DDWPSWQVSA-N 270.332 2.824 30 40 CFEB C=CCNC(=O)[C@H](CC)Oc1ccccc1Cl 20490038 RFFGQOOAYLDHTK-NSHDSACASA-N 253.729 2.800 30 40 CFEB O=C(/C=C/c1csnn1)c1ccccc1-n1cccn1 49064757 RMEAPTSDFSXJNI-VOTSOKGWSA-N 282.328 2.620 30 40 CFEB Cc1ccc(N/N=C2/C(=N)N(c3ccccc3)N=C2N)cc1 17206546 DIHPDKTUFATYED-HWBHATMGSA-N 292.346 2.533 30 40 CFEB Cc1nn(C)c(Sc2ccc(C#N)cc2F)c1[N+](=O)[O-] 96429764 YDMWVTNUWSNGHG-UHFFFAOYSA-N 292.295 2.799 30 40 CFEB C=CCN1CCN(Cc2ccc(C)o2)Cc2cccnc21 96060950 IHYKNFXNOHCPHV-UHFFFAOYSA-N 283.375 2.991 30 40 CFEB CS(=O)(=O)c1ccccc1Sc1ccc(C#N)cn1 96410286 UPSAKMYMFUZCOI-UHFFFAOYSA-N 290.369 2.508 30 40 CFEB Cc1cccc(C)c1-n1c(C)cc(C)c(C#N)c1=O 49839384 COCPKNAHPXMZRG-UHFFFAOYSA-N 252.317 2.943 30 40 CFEB Cc1cc(N=[N+]=[N-])nc(NS(=O)(=O)c2ccccc2)n1 13424576 SDKVZHUHUSEAAG-UHFFFAOYSA-N 290.308 2.528 30 40 CFEB C[C@](O)(CNc1ccc(C#N)nc1)c1ccccc1Cl 160202548 XEPIFOQHIUSCDF-HNNXBMFYSA-N 287.750 2.926 30 40 CFEB CN(Cc1cccc(Cl)c1)C(=O)CSCC#N 40516120 BVFDTRKBJJKWMS-UHFFFAOYSA-N 268.769 2.555 30 40 CFEB N#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1 53602122 GVZNIBAXROGKQA-JKSUJKDBSA-N 295.298 2.537 30 40 CFEB CCOC(=O)CSc1nc(C)c(C)c(C)c1C#N 301290 IRMFWTGCGKYKPT-UHFFFAOYSA-N 264.350 2.534 30 40 CFEB Cn1c(N/N=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 52412193 QVLUAPZIBWWZER-MHWRWJLKSA-N 295.302 2.928 30 40 CFEB COc1cccc(-c2c(C#N)c(N)nc3c2CCCC3)c1O 107566094 LBDDZMQOQJFPBE-UHFFFAOYSA-N 295.342 2.795 30 40 CFEB CCO/N=C1\C(O)=Nc2c(Br)cc(F)cc21 21902642 HUVHCXCMEADDPJ-UHFFFAOYSA-N 287.088 2.930 30 40 CFEB Cc1cccc(NC(=O)NCCc2cscn2)c1C#N 95973951 KGJBPEGMTXYFED-UHFFFAOYSA-N 286.360 2.687 30 40 CFEB N#Cc1ccc(N[C@H]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 84340818 QVGAYUQWMFDPAI-OLZOCXBDSA-N 289.335 2.820 30 40 CFEB Cc1ccccc1/N=C\c1ccc(OCC(N)=O)cc1 408961181 BEYUHQDRLFJTQA-ZDLGFXPLSA-N 268.316 2.610 30 40 CFEB C=CCNC(=S)Nc1ccc(N2CCCCCC2)nc1 223920343 AVZOBWUNJOZVIU-UHFFFAOYSA-N 290.436 2.934 30 40 CFEB C#CCOC(=O)c1cc(C)nc2onc(-c3ccco3)c12 72284561 JERONHPIZMJKSR-UHFFFAOYSA-N 282.255 2.581 30 40 CFEB Cc1ccc(/C=N/OC(=O)c2nn(C)cc2Cl)cc1 51787 JHDGRKYNHUDGQA-VIZOYTHASA-N 277.711 2.573 30 40 CFEB O=C1C=C(NCCc2c[nH]cn2)C[C@@H](c2cccs2)C1 100233240 NWNSESZDSYRQIS-LLVKDONJSA-N 287.388 2.634 30 40 CFEB O=C(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F 78193490 QFOKVELJLZLFMA-UHFFFAOYSA-N 264.043 2.585 30 40 CFEB C=CCNc1nc(Cl)nc(Nc2ccccc2)n1 3099667 RHMPTNSOZLNNAR-UHFFFAOYSA-N 261.716 2.867 30 40 CFEB CCN/C(=N/Cc1cccc(C(F)(F)F)c1)NC1CC1 95948135 LKKIYJJCJASEHH-UHFFFAOYSA-N 285.313 2.923 30 40 CFEB CC1=CC(=O)/C(=C/Nc2ccc(Cl)cc2)C(=O)O1 100868809 PTONONHJMOTSFA-XFFZJAGNSA-N 263.680 2.666 30 40 CFEB CS(=O)(=O)/N=C(O)/C=C/c1cccc2ccccc12 48480523 IJZPOJKGFJXDIM-MDZDMXLPSA-N 275.329 2.769 30 40 CFEB C=CCN(CC=C)Cc1cc(OC)c(OC)c(OC)c1 4603233 MZLHOKDNSQJKBK-UHFFFAOYSA-N 277.364 2.886 30 40 CFEB C=C(C)Cn1c(=S)[nH]c2nc3c(cc2c1=O)CCCC3 18126759 XHRYHHWAEQJLBG-UHFFFAOYSA-N 287.388 2.909 30 40 CFEB N#CCc1ccc(OS(=O)(=O)c2cccs2)cc1 8924039 NESHJCIGVKWQBR-UHFFFAOYSA-N 279.342 2.582 30 40 CFEB N#C[C@H](C(=O)Nc1ccccc1F)c1nccn1C(F)F 89814107 SFEQQTDUNIPFQI-QMMMGPOBSA-N 294.236 2.663 30 40 CFEB CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCSC1 89937634 HAQLTPOWHQKFSC-GFCCVEGCSA-N 250.342 2.635 30 40 CFEB Cc1sc(NC(=O)CN(CCC#N)C2CC2)c(C)c1C 72581102 WEEOIIPUNGEFQH-UHFFFAOYSA-N 291.420 2.990 30 40 CFEB C#CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 73640134 FKNVOPDAGRKBFS-UHFFFAOYSA-N 271.228 2.645 30 40 CFEB OC(=Nc1cccnc1)N1CCC[C@@H]1C1CCOCC1 329240095 QTSWREJXLQAYGY-CQSZACIVSA-N 275.352 2.518 30 40 CFEB N#Cc1ccc2c(c1)N(C(=O)C[C@@H]1C=CCCC1)CC(=O)N2 333873244 PUPYZHIDXJCNFQ-GFCCVEGCSA-N 295.342 2.590 30 40 CFEB Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)CC#N)s1 95397173 RAILMXVOSXIXAM-LURJTMIESA-N 274.292 2.690 30 40 CFEB O=S(=O)(/N=C(\O)c1ccsc1)c1cccc(F)c1 96442696 YCRRVROQPBHWND-UHFFFAOYSA-N 285.321 2.581 30 40 CFEB NN=C(/C(=N/N)c1ccc2ccccc2c1)c1ccccc1 245241002 WEWAHUJYCVJJNG-DFZWZNEOSA-N 288.354 2.866 30 40 CFEB Sc1nnc(-c2ccccc2)n1N=Cc1ccco1 253616953 DRVAQVMLKHKTRJ-UHFFFAOYSA-N 270.317 2.709 30 40 CFEB C=CCCC(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575605347 JUOUWTDLDMZRRR-LLVKDONJSA-N 280.755 2.681 30 40 CFEB N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(F)C3)cc1 1775995369 QTHASIMYGRSSOI-HOTGVXAUSA-N 286.350 2.982 30 40 CFEB COc1ccc(C#N)c(NC(=O)c2ccc(Cl)cn2)c1 79107336 KYEZQWYSTKXOGR-UHFFFAOYSA-N 287.706 2.868 30 40 CFEB CN(C)c1ccc(CNCc2ccc(C#N)cc2)cc1 20146074 POVQGDPNRKOFHV-UHFFFAOYSA-N 265.360 2.914 30 40 CFEB Nc1ccc([C@@H](C/C(=N/O)c2ccccc2)NO)cc1 13403859 DGRSGHQSWOZTGS-ARSNJYAISA-N 271.320 2.557 30 40 CFEB CCOC(=O)[C@H]1S/C(=N\c2ccccc2)N=C1C 17196484 XNVJJISCTSFQKL-YLCNQMKUSA-N 262.334 2.814 30 40 CFEB CN(Cc1ccccc1)C(=O)COc1cccc(C#N)c1 6401659 HOGKALYGELLIDA-UHFFFAOYSA-N 280.327 2.596 30 40 CFEB Cc1n[nH]c(NN=C2CCC(c3ccccc3)CC2)nc1=O 8044925 LWNZMTMERWTGJP-UHFFFAOYSA-N 297.362 2.599 30 40 CFEB COc1ccc(C#N)cc1NC(=O)N(C)Cc1ccco1 50108189 BNISKIFYNKKUPM-UHFFFAOYSA-N 285.303 2.824 30 40 CFEB CCc1ccc(NCC(=O)NC2(C#N)CCCC2)cc1 40162274 XCXNMSIRRKAZJE-UHFFFAOYSA-N 271.364 2.613 30 40 CFEB N#C[C@@H](C(=O)CCc1ccccc1)C(=O)NC1CCCCC1 50678726 OWGUEGDQZGOXBK-INIZCTEOSA-N 298.386 2.777 30 40 CFEB Cc1cccc(NC(=O)[C@H](C#N)Cc2cccnc2)c1 420083 CCCHEXSJOFMHJF-AWEZNQCLSA-N 265.316 2.711 30 40 CFEB C#Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 22409110 VWFXJYDJBWLTEU-UHFFFAOYSA-N 261.284 2.797 30 40 CFEB C=C(Cl)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 48046828 IWXMXVBJFMSYEB-GFCCVEGCSA-N 284.831 2.709 30 40 CFEB CCC[C@@H](C(=O)/N=C1/NCCS1)c1ccccc1 3456070 LYOJZTBFUOPKBA-GFCCVEGCSA-N 262.378 2.789 30 40 CFEB CCOc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 5158162 JDYMBIDCKOCJGF-MHWRWJLKSA-N 270.336 2.938 30 40 CFEB CC(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2 5560341 WPGXCVNKRVJMDY-UHFFFAOYSA-N 293.417 2.722 30 40 CFEB C[C@@H]1OCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 90180674 OKASKZQYNHCLTG-SMDDNHRTSA-N 283.293 2.824 30 40 CFEB CC[C@H](CC#N)NC(=O)Nc1ccc(F)c(NC(C)=O)c1 95942597 DRKWZECKQQTYIF-SNVBAGLBSA-N 292.314 2.598 30 40 CFEB Cc1ccc(S(=O)(=O)OCC2(C#N)CC(C)C2)cc1 96515644 SQWLNKLJBQCXND-UHFFFAOYSA-N 279.361 2.640 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCC(C)CC3)n2)c(C)c1 256049064 XYUQZIUMEKMMKA-UHFFFAOYSA-N 295.390 2.992 30 40 CFEB Fc1ccc(/C=N\n2c(S)nnc2C(F)(F)F)cc1 4293643 CBDSEJYDEMLGSQ-WCSRMQSCSA-N 290.245 2.607 30 40 CFEB CC(=O)/C(=N\Nc1ccccc1Cl)C(=O)C(F)(F)F 5377903 BWJUXMVTNGAYDM-RQZCQDPDSA-N 292.644 2.828 30 40 CFEB C=CCCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220728438 VVJFLALXNKCWTP-GFCCVEGCSA-N 289.379 2.694 30 40 CFEB CCn1cc(Br)c2sc(C#N)cc2c1=O 498051109 SAFBUKBRVDSYNN-UHFFFAOYSA-N 283.150 2.717 30 40 CFEB N#Cc1ccc(C(=O)COc2ccccc2)cc1F 575242943 CVIZEKWABFZMTK-UHFFFAOYSA-N 255.248 2.959 30 40 CFEB C#CCNC(=O)c1ccc(COc2ccc(C)cc2C)o1 52978450 GCHPRXJXWNOIIN-UHFFFAOYSA-N 283.327 2.838 30 40 CFEB CCN(CC)C1=NC(=[N+](CC)CC)c2ccccc21 3186846 RBHZGVFTWLUADV-UHFFFAOYSA-N 258.389 2.588 30 40 CFEB CC(=O)ONc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 4802285 BMPZRISEMMEZHL-UHFFFAOYSA-N 264.159 2.504 30 40 CFEB N#Cc1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 10747938 WUWHITFTYRJSTN-UHFFFAOYSA-N 282.318 2.946 30 40 CFEB CCCCNc1nc(Cl)c(C#N)c2c1CN(C)CC2 13513035 LGAAAGJLVWFBBJ-UHFFFAOYSA-N 278.787 2.807 30 40 CFEB COc1ccc(SCC(=O)N[C@@](C)(C#N)C(C)C)cc1 7790241 CUICCNSNXRNRSA-HNNXBMFYSA-N 292.404 2.842 30 40 CFEB CCC[C@@H](C#N)NC(=O)c1ccc(OC)c(OC(F)F)c1 69438203 HBTFTROQCKONKX-JTQLQIEISA-N 298.289 2.719 30 40 CFEB N#Cc1cnc(SCCOC2CCCCCC2)nc1N 72293306 UVDFUYUJKSLIPM-UHFFFAOYSA-N 292.408 2.762 30 40 CFEB CCCc1onc(C)c1C(=O)N[C@@](C)(C#N)C(C)C 95431807 CRHWNBDGAXKJBD-AWEZNQCLSA-N 263.341 2.604 30 40 CFEB N#C[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 218034776 JCXCBCVQHKJEEG-PMPSAXMXSA-N 283.352 2.766 30 40 CFEB C=CCN(C)C(=O)NCCc1c[nH]c2cc(F)ccc12 195571299 CCEPZALRFVRKKP-UHFFFAOYSA-N 275.327 2.677 30 40 CFEB CS(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 96404923 TVXXYOGPMYHJOS-KGLIPLIRSA-N 289.356 2.859 30 40 CFEB N#Cc1cc(NCC(=O)NCC2CC2)ccc1C(F)(F)F 97379163 PSQPVVKJGJGBJC-UHFFFAOYSA-N 297.280 2.515 30 40 CFEB CN(Cc1cc(F)ccc1C#N)C1CCC(CO)CC1 89924478 PFRFNEPVBXAWAB-UHFFFAOYSA-N 276.355 2.680 30 40 CFEB N#Cc1cc(Br)c(Cl)c(C(=O)O)c1 307023791 GFJPXHWGNUTVHN-UHFFFAOYSA-N 260.474 2.672 30 40 CFEB COc1ccc(C(=O)/C=C/[n+]2cccc(Cl)c2)cc1 4087784 UVJSBQSCKKCJEL-CSKARUKUSA-N 274.727 2.990 30 40 CFEB N#CCC(=O)c1ccc(F)c(Br)c1F 258839988 YORCQZNMSWDTNC-UHFFFAOYSA-N 260.037 2.824 30 40 CFEB C[C@@H](Sc1nncs1)C(=O)Nc1cccc(C#N)c1 7194660 IZJIRUAKGHMCED-MRVPVSSYSA-N 290.373 2.529 30 40 CFEB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+](C)(C)CC#N)C2 100723822 SUHTUPXNWQUHMA-DZKIICNBSA-N 265.421 2.818 30 40 CFEB COc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 359537 HRVCPYFWWUFCGV-UHFFFAOYSA-N 270.263 2.958 30 40 CFEB CC1(C)CC(=O)C(=CNc2ccc3c(c2)C(=O)OC3)C(=O)C1 171566 SFOJBUKMUIDQAV-UHFFFAOYSA-N 299.326 2.611 30 40 CFEB C=CCn1c(SC)nnc1-c1ccc([N+](=O)[O-])cc1 34552567 FYVJBHLIWAPDLS-UHFFFAOYSA-N 276.321 2.761 30 40 CFEB N#Cc1cnc(SCc2ccccc2[N+](=O)[O-])nc1 1388213 LLVBBVKTJNORCU-UHFFFAOYSA-N 272.289 2.549 30 40 CFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccc(C)o1 107747198 DPUXKWUMMYIOCL-USXIJHARSA-N 291.391 2.770 30 40 CFEB C[C@H](CC#N)N(C)C(=O)c1nccc2ccccc12 63094720 JWZNWWUXGATMGH-LLVKDONJSA-N 253.305 2.609 30 40 CFEB CC(C)(C)c1ncc(NC(=O)C2(C#N)CCCC2)cn1 49122939 QTLSVACDKJIZPE-UHFFFAOYSA-N 272.352 2.797 30 40 CFEB C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(C#N)cc1 6291368 XBZDKQAINJAUKP-JSGCOSHPSA-N 298.342 2.785 30 40 CFEB C=C(Br)CNC(=O)Cc1ccc(F)c(F)c1 95964747 PQYJRASJBVCUST-UHFFFAOYSA-N 290.107 2.532 30 40 CFEB C[C@H](Oc1ccc(/C=N/c2cccnc2)cc1)C(=O)O 408846676 RKJOMBIIZLEAMO-DTQASYIRSA-N 270.288 2.684 30 40 CFEB COc1cc([N+](=O)[O-])cc(CCC#N)c1OC(F)F 78406393 BPALFGZDPORYJS-UHFFFAOYSA-N 272.207 2.661 30 40 CFEB CC[C@@](C)(CC(=O)OC)NCc1cc(C#N)ccc1F 96461846 CKDVBFXZXNKBQZ-HNNXBMFYSA-N 278.327 2.519 30 40 CFEB Cc1cccc(C(=O)/C=C/[n+]2cc(Cl)ccc2N)c1 4087802 QBRCTTNPQWQMRY-BQYQJAHWSA-O 273.743 2.872 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc1 5753919 BMWLFNZQVYELBU-NTEUORMPSA-N 286.247 2.949 30 40 CFEB C=CCn1cnnc1Sc1cnc2ccccc2n1 54056595 QMORLVCPCRHFPJ-UHFFFAOYSA-N 269.333 2.559 30 40 CFEB Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccncc2)c1 420086 FMKPKXMWSRWWNB-CQSZACIVSA-N 265.316 2.711 30 40 CFEB NC(=S)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 56688414 NFSYORCWJJDWTH-QLENYVDCSA-N 297.383 2.748 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(C#N)cc1 3223344 FFQKHTCXCMRKBE-WFASDCNBSA-N 272.348 2.632 30 40 CFEB CC(C)c1nc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)no1 72279257 ZXDPYHFOOPWBIS-CYBMUJFWSA-N 297.362 2.844 30 40 CFEB CCCCc1ccc(C(=O)/C=C2/NC(=O)CS2)cc1 3344990 LRDRFCDJPIWFKO-DHDCSXOGSA-N 275.373 2.916 30 40 CFEB C#CCCCCCC(=O)N1CCCc2c(C(N)=O)cccc21 96001740 FKIJHODFZIYQGK-UHFFFAOYSA-N 298.386 2.648 30 40 CFEB C=C(C)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 14110175 GBFIRDMVPUTJKI-AWEZNQCLSA-N 278.739 2.683 30 40 CFEB CC[C@@H](CO)Nc1cc(C)c(C#N)c2nc3ccccc3n12 71872218 BVXDUMNYCMLLSW-LBPRGKRZSA-N 294.358 2.850 30 40 CFEB Cc1[nH]ncc1CCCNc1ccc(C#N)cc1[N+](=O)[O-] 24204884 USULPDMKHQUFDO-UHFFFAOYSA-N 285.307 2.543 30 40 CFEB C#CC(C#C)c1ccc(I)cc1 307023099 FOVYDLLYOXTBEY-UHFFFAOYSA-N 266.081 2.641 30 40 CFEB COc1ccc(/C=N\Nc2nccs2)cc1OC 31854320 SQTMHBHCWMUNFV-ZSOIEALJSA-N 263.322 2.606 30 40 CFEB Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)n1 41123854 AUBRRCAJWYZFKJ-AWEZNQCLSA-N 296.330 2.617 30 40 CFEB CO[C@H](CNc1nccnc1C#N)c1cccc(Cl)c1 76063835 PANQPOQGZDHJNF-CYBMUJFWSA-N 288.738 2.801 30 40 CFEB N#Cc1c(-c2cccnc2)cc(-c2ccncc2)nc1N 13234603 RUFFRCJARAGLFG-UHFFFAOYSA-N 273.299 2.659 30 40 CFEB O=C(/C=C\c1ccc2c(c1)CCO2)c1ccncc1 33374281 CKPBYRSOKLHRFJ-IWQZZHSRSA-N 251.285 2.913 30 40 CFEB CC(=O)c1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1 7957499 GOJDPKQAWRADOM-UHFFFAOYSA-N 293.326 2.811 30 40 CFEB COC(=O)/C(Cl)=N/Nc1ccc(Br)cc1 104497419 SOKMINLPGKEBMH-JYRVWZFOSA-N 291.532 2.586 30 40 CFEB C=C(Cl)CSc1nnc(NC[C@H]2CCCO2)s1 21737889 KWDHTBRUFYQWRD-MRVPVSSYSA-N 291.829 2.974 30 40 CFEB CCOc1[nH]c(/N=C/c2ccco2)c(C#N)c1C#N 100479518 ZGBWOHKHVDXOPJ-LZYBPNLTSA-N 254.249 2.500 30 40 CFEB CC(C)c1nc(NC[C@H](C)O)c(C#N)c2c1CCCC2 20573700 DIDLWRSCFLKUDS-NSHDSACASA-N 273.380 2.748 30 40 CFEB N#Cc1cn(-c2ccccc2)nc1C(=O)c1ccccc1 386416 JGZYKDNXVAAIMB-UHFFFAOYSA-N 273.295 2.975 30 40 CFEB Cc1occc1C(=O)[C@H](C#N)C(=O)c1cccc([N+](=O)[O-])c1 103503097 FHSZIVYEFQAEBW-CYBMUJFWSA-N 298.254 2.702 30 40 CFEB Cn1ccnc1/C=C/C(=O)c1c[nH]c2cc(F)ccc12 72255248 HAGBVFQIOBHTNH-SNAWJCMRSA-N 269.279 2.937 30 40 CFEB CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(C#N)cc1 58208821 XWGOQAVJLRKANL-ZNFPLGDCSA-N 284.359 2.599 30 40 CFEB O=C(/C=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 9368882 BXQLMFPVUHOXHD-SNAWJCMRSA-N 254.245 2.886 30 40 CFEB COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 11399957 HXFKCMYQFSDAAG-GFCCVEGCSA-N 296.326 2.973 30 40 CFEB N#Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1 3266908 KYQYFQMKIRGUBI-UHFFFAOYSA-N 278.311 2.526 30 40 CFEB CCn1cc(C(=O)/C=C/c2ccc(OC)c(O)c2)cn1 49274816 WYZPAPXONWHUEI-GQCTYLIASA-N 272.304 2.513 30 40 CFEB Cc1ccc(CC(=O)O/N=C(\N)c2cccc(C)c2)cc1 4685129 LVJIZKWRZCBERB-UHFFFAOYSA-N 282.343 2.710 30 40 CFEB C#CC[C@H](NC(=O)NCc1ccco1)c1ccccc1 95440975 KZQATXCTKHBLTK-HNNXBMFYSA-N 268.316 2.843 30 40 CFEB C=CCN/C(=N\C1CC1)NCCCCc1nc(C)cs1 95350554 QCAYFQRLXJDTQH-UHFFFAOYSA-N 292.452 2.658 30 40 CFEB C=CCN(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccccc1 69160921 BSHHMJZTHWYRCH-HZPDHXFCSA-N 281.359 2.743 30 40 CFEB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1cccc(C#N)c1 78556644 REYPKPJHJVKJED-IUIKQTSFSA-N 295.342 2.700 30 40 CFEB COc1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)c(OC)c1 95095968 SRZFETUMQDEXCH-BXKDBHETSA-N 292.253 2.723 30 40 CFEB CN(CCCNc1ncccc1C#N)c1ccccc1 19430299 GSWMHFZXGYAVKB-UHFFFAOYSA-N 266.348 2.892 30 40 CFEB CCCN1CC[C@H](CNc2nc(C)cc(C)c2C#N)C1 91457762 ZTEQZLVXMCVKMF-CQSZACIVSA-N 272.396 2.714 30 40 CFEB Cc1cccnc1NC(=O)CCc1ccc(C#N)cc1 10165702 YWRCOVPTCGOYNJ-UHFFFAOYSA-N 265.316 2.833 30 40 CFEB Cc1cc(C)cc(OCC(=O)N[C@@](C)(C#N)C(C)C)c1 32838776 SIDPATFAVVWTJS-INIZCTEOSA-N 274.364 2.737 30 40 CFEB CC(C)[C@H]1CC[C@H](C)[C@@H](C(C#N)(C#N)C(C#N)C#N)C1=O 4481968 RXUGENCIFOVTBC-IACUBPJLSA-N 282.347 2.571 30 40 CFEB C=CCOC(=O)CCC(C)(CCC(=O)OCC=C)C(C)=O 4897220 CXWHJCJCJUVJDG-UHFFFAOYSA-N 296.363 2.601 30 40 CFEB COc1cccc(/C=C\C(=O)CCN2CCCC2)c1OC 8580974 KPVKQTGKDLYJPS-HJWRWDBZSA-N 289.375 2.772 30 40 CFEB C=CCN(CC(=O)N1CCC[C@H](C)C1)C1CCCC1 58086806 PBXFSDFSBHBMFF-AWEZNQCLSA-N 264.413 2.676 30 40 CFEB N#C[C@H]1[C@H]2C[C@H]([C@H]1C#N)[C@@H]1[C@H]2N=NN1c1ccccc1 103868413 PZPNYKYVUALETI-JSLGZRHDSA-N 263.304 2.540 30 40 CFEB C[C@@H](CNC(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 36396265 JAPCVRWRQHTEBU-AWEZNQCLSA-N 293.370 2.813 30 40 CFEB CCn1cc(-c2cc(C(F)(F)F)n(CCC#N)n2)cn1 12394910 QWTDHHXZSWDPOO-UHFFFAOYSA-N 283.257 2.699 30 40 CFEB CC(=O)C1(C(C)=O)[C@H](c2ccc(Cl)cc2)C1(C#N)C#N 4092454 JWAHYGOEVHMUJL-CYBMUJFWSA-N 286.718 2.635 30 40 CFEB C=CCN(CC=C)C(=O)CSc1nncc2ccccc12 65552484 CJHWUKGHIPWXOI-UHFFFAOYSA-N 299.399 2.923 30 40 CFEB C#CCCCCC(=O)N(C)c1cccc([N+](=O)[O-])c1 97100915 XMNLXDJSGHDAME-UHFFFAOYSA-N 260.293 2.751 30 40 CFEB CC(C)c1cc(C(=O)[C@@H](C#N)c2ccc(F)cn2)n[nH]1 76094852 IJLHJARGFZNBME-JTQLQIEISA-N 272.283 2.557 30 40 CFEB Cc1cccc(N2CCN(c3cc(C#N)ccn3)CC2)c1C 285530806 HEQCEXAKBKQLPL-UHFFFAOYSA-N 292.386 2.897 30 40 CFEB CCCc1ncc(C(=O)[C@H](C#N)c2ccccn2)s1 76824575 MEAMYLAROYPHIC-SNVBAGLBSA-N 271.345 2.981 30 40 CFEB OC1=N[C@@H](/C(O)=N/[C@@H]2CCOc3c(F)cccc32)CC1 329122598 RGCCKOTUVABKLL-GHMZBOCLSA-N 278.283 2.725 30 40 CFEB C=CCn1c(C#N)cc(N)c1N1C[C@@H](C)C[C@H](C)C1 225867516 AYWNVKAZJCCTAK-RYUDHWBXSA-N 258.369 2.610 30 40 CFEB C=CCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751424 SMVSGIHEEPILJL-UHFFFAOYSA-N 295.264 2.807 30 40 CFEB COc1cc(OC)cc([C@H](OC[C@H]2CO2)C(F)(F)F)c1 95095975 GQUDQWLZXUXWRU-NEPJUHHUSA-N 292.253 2.723 30 40 CFEB COC(=O)c1sc(NC(=O)C(C)(C)C)c(C#N)c1C 5531433 KEQONXOYSQZPAM-UHFFFAOYSA-N 280.349 2.699 30 40 CFEB C#CCNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 12908896 LAPNRFPNVDGPPS-UHFFFAOYSA-N 281.359 2.690 30 40 CFEB CO/N=C\CC(=O)Nc1ccc(Cl)c(Cl)c1 12950163 YXCPXSPHDXRZKH-ACAGNQJTSA-N 261.108 2.954 30 40 CFEB COC1=CC(=O)C([C@H](C)c2ccccc2)=C/C1=N\O 17131252 XQQOFRGCEAIAKC-OIRDJALBSA-N 257.289 2.660 30 40 CFEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(CC)cc2)C1=O 19681104 ASDVBKZTEYQKMI-GXDHUFHOSA-N 285.343 2.599 30 40 CFEB COc1cccc(/C=N/OC(=O)c2ccccc2)c1 484555 IMYRSLLJTMDPRY-LFIBNONCSA-N 255.273 2.886 30 40 CFEB C#Cc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1 41636937 MNERNHYLSJYDIK-UHFFFAOYSA-N 299.351 2.671 30 40 CFEB C[C@H](C#N)Sc1nnc(C2CC2)n1Cc1ccco1 47822430 FFQCNVQFHPFXEH-SECBINFHSA-N 274.349 2.801 30 40 CFEB C=C(Cl)CNCc1cc2c(cc1OC)C[C@H](C)O2 78823326 KQUKFGSVCWWYHX-JTQLQIEISA-N 267.756 2.861 30 40 CFEB C=C(C)COC(=O)c1ccc([S@](=O)C(C)C)cc1 78951164 WXDWAZYEEJRWCR-SFHVURJKSA-N 266.362 2.936 30 40 CFEB Cc1nnc(SCc2noc(C(C)C)n2)c(C#N)c1C 97080584 LCPHXMXHAQJBQC-UHFFFAOYSA-N 289.364 2.764 30 40 CFEB C=CCOc1ccc(Br)cc1C(=O)O 7604072 BUHHBVKYPJOWMU-UHFFFAOYSA-N 257.083 2.712 30 40 CFEB COc1cccc(C(=O)Nc2oc3cccnc3c2C#N)c1 4052777 QBRMNTSRHUKXEW-UHFFFAOYSA-N 293.282 2.960 30 40 CFEB COc1ccc(C)cc1NC(=O)C#Cc1ccccc1 13737166 ICTSUYWXZMUMND-UHFFFAOYSA-N 265.312 2.994 30 40 CFEB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncccc1C#N 7051880 PZTXFCULOFPNGV-AAEUAGOBSA-N 289.404 2.740 30 40 CFEB Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1 7890468 LTZYXVPKTPEJRW-UHFFFAOYSA-N 280.327 2.562 30 40 CFEB N#Cc1ccc(Cn2cc(Br)ccc2=O)cc1 7985780 QLIRQBGQQBNBLM-UHFFFAOYSA-N 289.132 2.531 30 40 CFEB C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 71888146 KXCOFFVOFUQXRP-DLBZAZTESA-N 292.338 2.836 30 40 CFEB CCN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1C 69455404 UOVYJSPNPKIGHG-UHFFFAOYSA-N 286.784 2.573 30 40 CFEB Cc1nc(/N=C(/N)Nc2ccccc2)nc2ccccc12 18155842 YLFBDKSRAOAFDC-UHFFFAOYSA-N 277.331 2.997 30 40 CFEB N#CC1(NC(=O)/C=C/c2c(F)cccc2F)CCCC1 69924526 SQEMYLPABBOBIE-VOTSOKGWSA-N 276.286 2.931 30 40 CFEB C[C@H]1CCCCN1C[C@@H]1CCCN(CCCC#N)C1 71905290 YLWDVPGPBVQFKC-JKSUJKDBSA-N 263.429 2.877 30 40 CFEB CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nccnc1C#N 96411322 WNHVEEBRWCEFLX-WCQYABFASA-N 274.368 2.601 30 40 CFEB COc1ccc(C#CCO[C@H]2CCCCO2)cc1F 95632231 MATBOQWUMWTALW-HNNXBMFYSA-N 264.296 2.729 30 40 CFEB N#Cc1cccnc1NCCCOc1ccccc1F 40012289 NFDNVBZYZVTXIO-UHFFFAOYSA-N 271.295 2.973 30 40 CFEB COc1ccsc1C(=O)N(CCC#N)CC(F)(F)F 76092265 JWWVRABDSIGGEH-UHFFFAOYSA-N 292.282 2.675 30 40 CFEB C=CCNC(=S)N(CCC#N)C1CCCCC1 5600903 FKJHCFPOTPLBMB-UHFFFAOYSA-N 251.399 2.595 30 40 CFEB C=CCNC(=O)c1cc(Br)ccc1F 19519513 CZRVDYMXUZWINY-UHFFFAOYSA-N 258.090 2.504 30 40 CFEB CCc1ccc(NC(=O)[C@@H](C#N)Cc2cccnc2)cc1 419696 CRHLCBQGEWIIOB-OAHLLOKOSA-N 279.343 2.965 30 40 CFEB CO/N=C/c1ccc(OCc2cn3ccccc3n2)cc1 17696934 NPPDKVXIPPOVPI-LICLKQGHSA-N 281.315 2.894 30 40 CFEB C=CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 34601607 VKEZZGBUHSYSJM-ZDUSSCGKSA-N 259.305 2.543 30 40 CFEB in-vitro C=C(C)C(CCCC)(C(=O)OCC)C(=O)OCC 1600411 MRRWFIQIEDNPTK-UHFFFAOYSA-N 256.342 2.865 30 40 CFEB CCCCNC1=C(OCC)C(=O)c2ccccc2C1=O 4353374 FKJDWIZKUFDYKO-UHFFFAOYSA-N 273.332 2.703 30 40 CFEB C=CCOc1ccc(C(=O)NCC(F)(F)F)cc1 58268567 DZXBKQSLRCETPS-UHFFFAOYSA-N 259.227 2.544 30 40 CFEB O=C(/C=C/c1csnn1)c1cnn(-c2ccccc2)c1 58279643 ISLTXPOKQPLYQN-VOTSOKGWSA-N 282.328 2.620 30 40 CFEB C#CCCN1CCN(C(=O)c2cc3ccccc3s2)CC1 58390926 NGXVXOWNGQAXQB-UHFFFAOYSA-N 298.411 2.682 30 40 CFEB COC(=O)/C(O)=C/C(=O)c1cc(C)ccc1Br 100965977 YITPEHFTBLIRAT-WDZFZDKYSA-N 299.120 2.555 30 40 CFEB COC1CCN(c2cccc(Cl)c2C#N)CC1 49942997 YPTHLTJUZAQJBT-UHFFFAOYSA-N 250.729 2.827 30 40 CFEB CCC[C@@H](C#N)NC(=O)Cc1c[nH]c2ccccc12 65577097 GDUXMEGUTRBHDT-LBPRGKRZSA-N 255.321 2.519 30 40 CFEB CN(C)Cc1ccccc1CNC(=O)c1cccc(C#N)c1 6992784 PPPYKYYMVRKCTB-UHFFFAOYSA-N 293.370 2.550 30 40 CFEB Cc1ccc(-c2noc(CN(C)C[C@H](C)C#N)n2)cc1F 71824936 FYZIMIWTRCCYNK-SNVBAGLBSA-N 288.326 2.776 30 40 CFEB CCN(CC#N)Cc1cc(F)ccc1Br 69841716 AWKSBMNEBSAZEU-UHFFFAOYSA-N 271.133 2.934 30 40 CFEB CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 195535209 OUNIQXMJZNERCG-QINHECLXSA-N 290.432 2.728 30 40 CFEB COc1cccc([C@H](OC[C@H]2CO2)C(F)(F)F)c1 95095947 CZQQVBYEPDZIKZ-MNOVXSKESA-N 262.227 2.714 30 40 CFEB Cc1ccc(-n2nc(C#N)c(N3CCCCC3)n2)c(C)c1 256047292 LSEIGOCCSGXAQB-UHFFFAOYSA-N 281.363 2.746 30 40 CFEB C=CCn1c(C)nnc1SCOC(=O)c1ccccc1 72312939 VGOIBOKKLCNSMF-UHFFFAOYSA-N 289.360 2.679 30 40 CFEB CS[C@H](C)/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17148938 MDTLCKSUWLYASZ-KLDHPSGWSA-N 284.297 2.652 30 40 CFEB C#CCNC(=O)c1csc(-c2ccc(Cl)cc2)n1 21903511 RRFLISFZFRPZBG-UHFFFAOYSA-N 276.748 2.827 30 40 CFEB COc1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 511556 GXJGOKURVJNZQH-UHFFFAOYSA-N 282.299 2.584 30 40 CFEB Cc1cc(C)n(/N=C2\CCCc3ccccc32)c(=O)c1C#N 588495 WDDULDOHQLCDSI-LVZFUZTISA-N 291.354 2.926 30 40 CFEB C[C@@H](NC(=O)COc1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 106538398 DULQILFMXWOMET-RPCCPQHDSA-N 298.386 2.878 30 40 CFEB Cc1cc(NC(=O)c2ccc(F)cc2F)n(CCC#N)n1 58226669 FSIXJPAWUSSWBM-UHFFFAOYSA-N 290.273 2.636 30 40 CFEB CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H]1CO1 12351564 NKGKCDXMOMAORK-QWHCGFSZSA-N 299.317 2.799 30 40 CFEB CC(C)(C)N/N=C/c1cc(Br)ccc1O 3233366 OQLFQCBWGGYTOP-NTUHNPAUSA-N 271.158 2.877 30 40 CFEB C=CCNC(=O)[C@@H](C)Oc1ccc2ccc(OC)cc2c1 12788683 CSWZPNPUZXAVMT-GFCCVEGCSA-N 285.343 2.918 30 40 CFEB C[C@H](O)c1ccc(-c2ccc(CNCC#N)o2)cc1 22108733 SVKNGEYORXBSNB-NSHDSACASA-N 256.305 2.613 30 40 CFEB Cc1cccc(OCCC(=O)N(C)C[C@@H](C)C#N)c1C 65586919 IQIUWBBGRIXURY-LBPRGKRZSA-N 274.364 2.690 30 40 CFEB N#Cc1ccccc1NCc1ccc2c(c1)OCO2 15525345 NJFFQVYJFZOBFK-UHFFFAOYSA-N 252.273 2.899 30 40 CFEB Cc1nc(C)n(Cc2ccc(C#N)cc2Br)n1 97046750 NUORHBKCOUDASE-UHFFFAOYSA-N 291.152 2.577 30 40 CFEB CCOCCn1c(C#N)cc(N)c1Oc1ccccc1 225879058 XJWZQRMCJQZQKF-UHFFFAOYSA-N 271.320 2.771 30 40 CFEB CCOc1ccc(CNc2oc(C)nc2C#N)cc1OC 80343765 OUPZDWJCYGERQA-UHFFFAOYSA-N 287.319 2.874 30 40 CFEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C2CC2)on1 620314058 QJTXAVSHYNDHQH-TXEJJXNPSA-N 258.321 2.875 30 40 CFEB Cc1cnn(CCCN[C@@H](C)c2cccc(C#N)c2)c1 96493377 VEVUFYHRBUAMCY-AWEZNQCLSA-N 268.364 2.804 30 40 CFEB N#CCOC(=O)c1cccnc1SC1CCCC1 62492891 HJWUGEXVQHZFDN-UHFFFAOYSA-N 262.334 2.797 30 40 CFEB COC[C@@](C)(C#N)NC(=O)[C@H](C)Cc1ccccc1Cl 95436211 XQPALMPEZXYBMH-IAQYHMDHSA-N 294.782 2.563 30 40 CFEB CCOC1(NC(=O)c2cccc(C)c2)C(C)=CC(=O)C=C1C 16779553 UMGXOEHTOUBOIH-UHFFFAOYSA-N 299.370 2.933 30 40 CFEB C/C(=N/NC(N)=S)c1ccc2c(c1)Cc1ccccc1-2 17376307 GBBYPMAYIWIBBR-ZDLGFXPLSA-N 281.384 2.815 30 40 CFEB CCOC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 405062708 FHXRTEFERUPPHB-UHFFFAOYSA-N 291.156 2.554 30 40 CFEB COc1cccc(/C=C/C(=O)c2cccnc2)c1OC 6935380 SCVLIGDTJQXNDX-CMDGGOBGSA-N 269.300 2.995 30 40 CFEB C=CCn1c(S)nnc1-c1ccc2ncccc2c1 15924246 CEZAONSETAZGPW-UHFFFAOYSA-N 268.345 2.968 30 40 CFEB O=C(Nc1ccccc1)c1ccccc1OC[C@@H]1CO1 180741 OXCXOVVIURMWBM-ZDUSSCGKSA-N 269.300 2.717 30 40 CFEB CCN(C)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 58421145 IZQGCLKFAFPUHW-UHFFFAOYSA-N 271.364 2.661 30 40 CFEB O=C(COc1ccccc1/C=N\O)Nc1ccccc1F 108309908 UJHIGUVDHULFGC-MFOYZWKCSA-N 288.278 2.651 30 40 CFEB CN(C)c1ccc(/[N+]([O-])=C\c2ccccc2[N+](=O)[O-])cc1 100252445 IKNFHMHDURQCKV-GZTJUZNOSA-N 285.303 2.922 30 40 CFEB CC1(C)C[C@@H]2C[C@](C)(C1)N2C(=O)C1=CCC(=O)C=C1 104479447 MMYATHWQUFIAJR-MLGOLLRUSA-N 259.349 2.621 30 40 CFEB CC(C)[C@@H]1CC[C@@H](C)[C@@H](C(C#N)(C#N)C(C#N)C#N)C1=O 4481969 RXUGENCIFOVTBC-KWCYVHTRSA-N 282.347 2.571 30 40 CFEB Cc1cnn([C@@H](C)[C@H](C)NCc2ccccc2C#N)c1 71882184 GICKSQYWRBHOLY-KBPBESRZSA-N 268.364 2.803 30 40 CFEB Cc1[nH]ncc1CCCNc1c(F)cc(C#N)cc1F 72054463 CRKRYJYDRJBGNL-UHFFFAOYSA-N 276.290 2.913 30 40 CFEB C=C(Cl)CNC(=O)Nc1ccc(C(=O)OC)cc1C 72290917 KTXQOXAOKMWGPZ-UHFFFAOYSA-N 282.727 2.656 30 40 CFEB N#CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 98009527 JAVBEXWUGAVUDU-VHSXEESVSA-N 269.131 2.737 30 40 CFEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)ccc1O 409101110 VJBOKVANGUXDJS-VIZOYTHASA-N 292.682 2.795 30 40 CFEB N#Cc1ccc(C(=O)C(F)(F)Br)cc1 307122091 KRAVWUPWTZYYFQ-UHFFFAOYSA-N 260.037 2.729 30 40 CFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc([N+](=O)[O-])o2)cc1 33376895 SHXJVWKWHUUTFC-GHXNOFRVSA-N 276.208 2.542 30 40 CFEB CCCOc1ccc(CN/C(=N\C)NC2CC2)c(C)c1 189696883 XFHFSFCKQHOVRB-UHFFFAOYSA-N 275.396 2.611 30 40 CFEB COc1ccc([C@@H](C#N)C(C#N)C#N)cc1Br 216757943 KWBPIJDXDJRULG-SNVBAGLBSA-N 290.120 2.728 30 40 CFEB C#CCOc1c(C(=O)OC)sc(SC)c1Cl 96510994 JGDREZPADVRDSD-UHFFFAOYSA-N 276.766 2.922 30 40 CFEB CCCC(C)(C)NC(=O)COc1ccc(C#N)cc1 50498454 OPHOXIVKUVLOSH-UHFFFAOYSA-N 260.337 2.632 30 40 CFEB O=C(O)c1ccc(COc2ccccc2C=NO)cc1 254709000 YKKLUCYHSGZYCQ-UHFFFAOYSA-N 271.272 2.772 30 40 CFEB CSC[C@H](CCO)Nc1c(Cl)cccc1C#N 78301697 YUAPVNZHTKQTCA-JTQLQIEISA-N 270.785 2.738 30 40 CFEB COc1ccc(/C=N/Nc2nc(C)cc(C)n2)c(OC)c1 5680581 DPZODRPVVWIKST-CXUHLZMHSA-N 286.335 2.557 30 40 CFEB O=C1C=C/C(=N\S(=O)(=O)c2ccccc2)c2ccccc21 18169490 AKILUMMGTXKTSJ-BMRADRMJSA-N 297.335 2.617 30 40 CFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1CCC1 26143672 FCVTWIAKQBZJAA-UHFFFAOYSA-N 283.331 2.780 30 40 CFEB CC(C)c1cc(=O)n2c([nH]c3ccccc32)c1C#N 100152391 LAAVBCDIIUQCEV-UHFFFAOYSA-N 251.289 2.776 30 40 CFEB COc1ccc(C(=O)c2cnc(/N=C/N(C)C)s2)cc1 20367879 ISAPSSRLTVHWFS-CXUHLZMHSA-N 289.360 2.604 30 40 CFEB CCCCCCCCNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102235655 RKZPKXHTMXUNHG-AJNGGQMLSA-N 293.407 2.986 30 40 CFEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N 102420403 RMRXJUHMCIPVAH-UHFFFAOYSA-N 290.388 2.706 30 40 CFEB O=C[C@@]12[C@H]3[C@H]4C=CC[C@@H]4[C@@H]4[C@H]5[C@@H]6[C@@H]7[C@@H](CC[C@H]7O[C@H]51)[C@@H]2[C@H]6[C@H]43 104288709 GVVNEXCWLFFAGP-KEPMMRIESA-N 294.394 2.539 30 40 CFEB O=[N+]([O-])c1cc(O/N=C/c2ccccc2)cc([N+](=O)[O-])c1 12846566 YJHNHSBDVHXURL-NTEUORMPSA-N 287.231 2.916 30 40 CFEB N#Cc1cccc(C(=O)N2CCc3sccc3C2)c1 12903800 OOTZVLPERONOJU-UHFFFAOYSA-N 268.341 2.818 30 40 CFEB C=CCSCC(=O)NCc1cccc(CN(C)CC)c1 65613197 IEUCDPJQLBBSEI-UHFFFAOYSA-N 292.448 2.674 30 40 CFEB CC1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 14185825 SOGHSYAMRAUUAL-VOTSOKGWSA-N 254.333 2.830 30 40 CFEB N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC=CCC1 69000280 XNQXMYATTDZHLO-JTQLQIEISA-N 258.281 2.630 30 40 CFEB C=CCOc1ccc(C(=O)Nc2ccncc2O)cc1 95394589 MEIAHVSKNWCNSL-UHFFFAOYSA-N 270.288 2.604 30 40 CFEB C[C@@H]1CN(Cc2ccccc2C#N)CCN1c1nccs1 95351809 GZJXPIVZSIRSRL-CYBMUJFWSA-N 298.415 2.725 30 40 CFEB Cc1ccc(C)c(/N=C2/CSc3nnc(C)n3N2)c1 27525941 FNQPIEYKLKQFJK-UHFFFAOYSA-N 273.365 2.583 30 40 CFEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(Cl)c1 409365444 XFPFDBQZLHJOJW-UHFFFAOYSA-N 299.717 2.638 30 40 CFEB OC(=Nc1cccnc1)N1CCC[C@H]1C1CCOCC1 329240094 QTSWREJXLQAYGY-AWEZNQCLSA-N 275.352 2.518 30 40 CFEB C=C(Br)CNC(=O)c1cc(C)c(F)cc1F 95963603 FGLRCMDMSAJDRQ-UHFFFAOYSA-N 290.107 2.912 30 40 CFEB O=C1/C(=C/c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc21 97999107 GLDLVOXOEQZCST-AUWJEWJLSA-N 283.239 2.917 30 40 CFEB CCCCNC(=S)N/N=C(\C)Cc1ccc(OC)cc1 7012650 PHFAKWIWPQIMBP-SFQUDFHCSA-N 293.436 2.878 30 40 CFEB CCCNC(=S)N/N=C(\C)c1nccc2ccccc12 5664582 TUESDPRQZUCHHY-WOJGMQOQSA-N 286.404 2.833 30 40 CFEB O=[N+]([O-])c1ccc(/C=N/Nc2nncc3ccccc23)cc1 14109976 VYQJRMVIKAMBEX-CXUHLZMHSA-N 293.286 2.984 30 40 CFEB O=C(O)c1ccc(/N=C/c2ccc(O)cc2O)cc1 15636509 BYHNHDIOEVRDLV-OVCLIPMQSA-N 257.245 2.547 30 40 CFEB COc1ccnc(Oc2ccc(C#N)cc2Cl)n1 22019658 FOBJXBMCAHEYOP-UHFFFAOYSA-N 261.668 2.803 30 40 CFEB Cc1ccc(C(=O)[C@@H](C)[n+]2ccc(N(C)C)cc2)cc1 4173234 CKEJYHPSIHXLHV-CQSZACIVSA-N 269.368 2.792 30 40 CFEB Cc1nnc(NCc2ccccc2F)c(C#N)c1C 24053207 APQLVMLCZZSDKM-UHFFFAOYSA-N 256.284 2.716 30 40 CFEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(N)c1=O 84217 LHPOXPJPGFHMJW-UHFFFAOYSA-N 287.322 2.768 30 40 CFEB CC[C@H]1C(=O)C(c2ccccn2)=C(N)N1c1ccccc1 25325988 OQIJBDWMBPQVDO-AWEZNQCLSA-N 279.343 2.577 30 40 CFEB Cc1ccc(C(=O)/C(=N/N)c2ccc(C)cc2)cc1 100818895 VHYVIHRQIHHMFV-OBGWFSINSA-N 252.317 2.849 30 40 CFEB CCN(C[C@H](C)C#N)C(=O)c1c[nH]c2nccc(Cl)c12 89567381 ZSNWVTUVLUFUMK-SECBINFHSA-N 290.754 2.838 30 40 CFEB COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1[N+](=O)[O-] 3284657 BJYTWHOJCICBRG-UHFFFAOYSA-N 298.254 2.694 30 40 CFEB CN(C)/N=C1\CCC(C(F)(F)F)(C(F)(F)F)O1 104306913 GQDDGQBXRSWZMH-PJQLUOCWSA-N 264.169 2.535 30 40 CFEB CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@]2(C#Cc2ccccc2)C1 100256965 WEKDGBQFSYUYEI-YJBOKZPZSA-N 299.370 2.817 30 40 CFEB CSc1ncc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cn1 13957158 JJCZYRAICPFTDA-OVCLIPMQSA-N 289.320 2.553 30 40 CFEB C[C@@H]1S/C(=N\c2ccc(Br)cc2)NC1=O 6911923 OMOVOALTOWJNSA-LURJTMIESA-N 285.166 2.688 30 40 CFEB Cc1cc(C#N)nc(N2CCc3cc(C)c(C)cc32)n1 521653922 GUWQGNPJMGQRQI-UHFFFAOYSA-N 264.332 2.968 30 40 CFEB Cc1ccc(S(=O)(=O)OC2[C@H]3C=CC=C[C@@H]2C=C3)cc1 45070760 KQNWUWWVRKZYTM-MZBDJJRSSA-N 288.368 2.997 30 40 CFEB CCCCCn1c(C#N)cc(N)c1Br 225889352 MKUGWRYRBDNFMK-UHFFFAOYSA-N 256.147 2.895 30 40 CFEB CC(C)(C)NC(=O)O[C@@H](Cc1cc(F)cc(F)c1)[C@@H]1CO1 95917824 GAGKRQZFMBQZCL-STQMWFEESA-N 299.317 2.799 30 40 CFEB O=C(Nc1ccccc1)[C@]12C[C@@H]1C(=NO)c1ccccc1O2 299888328 FPXPIEZPAXSELW-DYVFJYSZSA-N 294.310 2.655 30 40 CFEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2)n1 585290914 XUWCSVINGVZLEM-AWEZNQCLSA-N 294.362 2.610 30 40 CFEB C[C@](O)(CNc1cc(Cl)ccc1C#N)C1CC1 95398941 PBGXFLWCBNBYRM-ZDUSSCGKSA-N 250.729 2.785 30 40 CFEB O=C(/C=C\c1ccccc1)c1ccccc(=O)c1O 5518690 XYNNMVSSEFDMLL-KHPPLWFESA-N 252.269 2.649 30 40 CFEB Cc1ccccc1CN1CCN(C[C@H](C#N)CCC#N)CC1 25230372 APBQIRNMEFHMBX-KRWDZBQOSA-N 296.418 2.556 30 40 CFEB CC1(C)CC(=O)C2=C(C1)NC(=O)[C@H](C#N)[C@@H]2c1ccccc1 493822 NGUXDLYFLLKSTH-DOMZBBRYSA-N 294.354 2.683 30 40 CFEB