smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C[C@@H](Br)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 45258384 KUYXYJYTQQCJGH-ZTJXHEDMSA-N 436.265 3.037 50 1 IGGF O=C(COc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 33923799 OUKYUDXZLWMXQT-QRVIBDJDSA-N 434.408 3.082 50 1 IGGF CCO/C(O)=C(\C#N)C=Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 299849758 UGXXWNSMOYWDSN-NRNMQDPOSA-N 429.454 3.291 50 1 IGGF CC(=O)OC/C(=C\[C@@H](Cl)[C@H](O)COC(=O)c1ccccc1)COC(=O)c1ccccc1 1857752238 NBJJMHUVDSURFD-GCAGSBLFSA-N 446.883 3.158 50 1 IGGF NC(=O)COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544575 OMGQYSNFAQYNJV-OFNKIYASSA-N 439.851 3.352 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@]3(c4cccc1c42)[C@@H](Br)[C@H]1CC[C@@]3(C(=O)O)C1(C)C 963029252 PTHYYMJQEAWSAI-KDRWGODBSA-N 433.346 3.220 50 1 IGGF COC(=O)c1cc2nc(CCNC(=O)CBr)[nH]c2c(F)c1Nc1ccccc1 586971412 RSXLAFMKOZAVCI-UHFFFAOYSA-N 449.280 3.286 50 1 IGGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587050645 ZCZCTHBBGWGMNX-CMDGGOBGSA-N 440.891 3.210 50 1 IGGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963035057 WESUCBRARSVQSS-JCQPUDPBSA-N 438.915 3.096 50 1 IGGF O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 44387184 FHVCUDOQNNJRIT-FGIMNINOSA-N 440.327 3.392 50 1 IGGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587451675 ZIPOQYQIMKIAPU-VGSWGCGISA-N 447.940 3.289 50 1 IGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 95809414 CATGJJRZDHORJG-VCHYOVAHSA-N 430.255 3.027 50 1 IGGF COC1=C/C(=C/C(C#N)=C2/NC(c3cc4ccccc4oc3=O)=CS2)C=C([N+](=O)[O-])C1=O 13119176 QDUHDFRMKFTUKA-LJDCBMQGSA-N 447.428 3.363 50 3 IGGF C=CCc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c(CC=C)c1 45285608 NGZIARLVPDAWGF-OVVQPSECSA-N 432.568 3.117 50 1 IGGF CCOC(=O)Nc1cc2c(c(NC(=O)CBr)n1)N=C(c1ccccc1)CO2 29388996 JFADYGIDHJWJTB-UHFFFAOYSA-N 433.262 3.497 50 1 IGGF C/C(=N\NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1 33400124 XDTQBIRDEBDPMT-RPTIRRASSA-N 429.436 3.301 50 1 IGGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 199886889 GDGLETUAADYDCV-QZTJIDSGSA-N 427.848 3.235 50 1 IGGF C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(=O)C(C)=CC)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(=O)C(=C)C 2356376826 XLIBUAZXWWMZDZ-POPBZWCZSA-N 428.481 3.027 50 1 IGGF CS(=O)(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587010026 ZQCKUSKFSFKWPF-SFHVURJKSA-N 430.917 3.087 50 1 IGGF O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCN1C[C@@H](Br)C1=O 84462236 QMPFEAUKNJUGHJ-NVXWUHKLSA-N 430.346 3.360 50 1 IGGF COc1ccc(C2=NN=C/C2=C\NNC(=O)c2ccc(Br)cc2)c(OC)c1 13125706 VYLQFXKWRYZDFP-ACCUITESSA-N 429.274 3.073 50 3 IGGF Cc1cccc(OC(=O)NCCO/C(O)=N/S(=O)(=O)c2ccc(CCCl)cc2)c1 68586635 REYYIOSHYUMDGL-UHFFFAOYSA-N 440.905 3.184 50 1 IGGF biogenic C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(=O)C(C)=CC)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(=O)[C@H](C)CC 2356643138 IUPREMZEHGJOAD-FLKSNDEUSA-N 444.524 3.497 50 1 IGGF CC(C)(C)C1=CS/C(=C(\C#N)c2ccnc(NCCCCN3C(=O)CCC3=O)n2)N1 64453458 XJQYBBZHVTUTET-XMHGGMMESA-N 426.546 3.234 50 1 IGGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(Cl)cc1Cl 102836545 CUPGSYYISVKXAZ-UFFVCSGVSA-N 440.308 3.395 50 1 IGGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(N3CCC(C(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772604885 JPUKBKCOTBHVDC-HSZRJFAPSA-N 439.491 3.187 50 1 IGGF COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c(OC)c1 103276492 MBKFGHXBEDJVHG-YDZHTSKRSA-N 448.508 3.075 50 1 IGGF CC(C)N1CCC(N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 58651266 TYCWHDFQQJFLPT-UHFFFAOYSA-N 439.358 3.230 50 1 IGGF Cc1cc2c(cc1O)[C@](c1ccc(F)cc1)([C@H](Cl)C(=O)C(F)(F)F)N[C@H](C(=O)O)C2 963506018 DOEPICYHRBSCEL-ZSZQSSIHSA-N 445.796 3.421 50 1 IGGF CC(C)[C@@H](Cl)[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963705299 RBUDNWIBKMCILD-UWHLTILDSA-N 430.932 3.023 50 1 IGGF O=C(O)CNCc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC2CC(C3)N4)cc1 1857565642 BHCTWENVJFHHIU-UHFFFAOYSA-N 428.529 3.050 50 1 IGGF NS(=O)(=O)c1ccc(NC(=S)NC(=O)Nc2ccc(CC(Cl)Cl)cc2)cc1 473133165 YNEZSXSLMWQAKE-UHFFFAOYSA-N 447.369 3.199 50 1 IGGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)C=CC(C)(C)O)=CO[C@H](OC(C)=O)[C@@H]12 2356642650 PGYCRIBVSDGTRT-WTIAFYNJSA-N 446.496 3.065 50 1 IGGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1Cl 102845115 LEJQIWQOWMSGIR-AWQFTUOYSA-N 426.281 3.052 50 1 IGGF CC(C)(C)c1nnc2sc(SC/C(O)=C(/C#N)c3nc4ccccc4[nH]3)nn2c1=O 102683865 LHHYGDVTVSCQKY-JLHYYAGUSA-N 439.526 3.305 50 1 IGGF OB(O)c1ccc([C@@]2(C3CCCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706722 OHLRBNBKDDDWLF-YKSBVNFPSA-N 425.378 3.303 50 1 IGGF CCCN1N=C[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](Cl)C1=O 962960669 TWCQAIPECMQFCF-LPHOPBHVSA-N 429.870 3.398 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc(OC)c1O 1772630546 CZYDCJDQWYGVTD-IBGZPJMESA-N 441.447 3.306 50 1 IGGF O=C(NNC(=S)NCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857542230 JLCJXONTRNKHHR-UHFFFAOYSA-N 444.256 3.119 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356573932 GMTCNRGBCVJUIX-LEJWQXHNSA-N 430.497 3.107 50 1 IGGF CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C/C(C)=C/C=O)=C\[C@@H](CO)CCO 95919109 PRTVRCOTGRINLU-KQFAVRCNSA-N 448.556 3.071 50 1 IGGF biogenic,in-vitro O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 199886860 GDGLETUAADYDCV-ROUUACIJSA-N 427.848 3.235 50 1 IGGF CC(C)(C)COC(=O)OC(=O)[C@@H]1N2C(=O)[C@H](N=CN3CCCCCC3)[C@H]2SC1(C)C 2356695899 ARLJVXKILPRVFL-YQQAZPJKSA-N 439.578 3.048 50 1 IGGF COc1ccc2c(c1OC)[C@@H]([C@@H](Br)C(C)=O)N(C(=O)c1ccccc1N)CC2 963135847 BYOZDOMKXHOCJT-OALUTQOASA-N 447.329 3.378 50 1 IGGF Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc(Cl)cc3)c(=O)c12 49803253 DHZPPLYDKYQAAT-MSXFZWOLSA-N 435.871 3.087 50 1 IGGF CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccnc(CCl)n2)c1OCC 587941679 WZMUDDFRZQGNJY-UHFFFAOYSA-N 439.896 3.013 50 1 IGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 962916151 CAIMBJIYDYSIJO-LAUBAEHRSA-N 447.304 3.190 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 96284137 SNFKHRVLVZLFNJ-NRFANRHFSA-N 426.427 3.486 50 1 IGGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 98082863 DSXPYEDPTQXLFZ-ZVHZXABRSA-N 430.493 3.277 50 1 IGGF O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NNC(=S)Nc1ccccc1 1857562125 XOCORAKOJNJNNN-UHFFFAOYSA-N 443.532 3.005 50 1 IGGF CCCCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@@]2(C)O[C@@H]1O 2356623711 KOJDHHJUQBZUHA-CYOIZWBSSA-N 427.969 3.143 50 1 IGGF CN(C)c1ccc(-c2nc(C(=O)NN=C3NC(=O)CS3)cc3c2[nH]c2ccccc23)cc1 1772625898 GJXOEFATRVEFQH-UHFFFAOYSA-N 444.520 3.313 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1Cn1nc(C)c([N+](=O)[O-])c1C 40866833 QVVAQRWYALQAMP-HXUWFJFHSA-N 449.467 3.280 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O 587450106 RPMJEXOQDISPFL-XUTBRHNUSA-N 447.940 3.288 50 1 IGGF CN1c2ccc(S(C)(=O)=O)cc2S[C@H]1NC(=O)CC1CCC(Br)CC1 1857605558 JJFKNMGNYJAOLP-MFGLSYLJSA-N 447.420 3.376 50 1 IGGF N#C/C(NCc1ccccn1)=C1/C(=O)c2ccccc2[C@]12c1ccsc1CCN2C(N)=O 962713985 QDSUVOCRGSCURH-CODHLFFDSA-N 441.516 3.087 50 1 IGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687829 IOSQRMFGXQHCCN-QPWKKTDDSA-N 436.705 3.051 50 1 IGGF N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(Cl)cc2Cl)CC1 170188884 KYDXCKVQHIFMJU-HXUWFJFHSA-N 445.196 3.063 50 1 IGGF CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 1652780 FJTKGKVACRFTEB-UHFFFAOYSA-N 447.973 3.180 50 1 IGGF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)CC[C@H]1CCSS1 34642727 KVQJLHKHPWLRQD-HOTGVXAUSA-N 440.612 3.352 50 1 IGGF CCCCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O 238767634 KOJDHHJUQBZUHA-OPUSJTDESA-N 427.969 3.143 50 1 IGGF COc1cc2c3c(c1)O[C@](CBr)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587449675 QRZFCUVYHXDOFM-HNAYVOBHSA-N 437.311 3.050 50 1 IGGF C[C@@H]1CC[C@H]2[C@](Br)(CBr)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43833616 SPDKABPDDJUGRG-HEKJNUSLSA-N 440.128 3.287 50 1 IGGF CCCCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@@]2(C)O[C@H]1O 2356623712 KOJDHHJUQBZUHA-IUGIXFBWSA-N 427.969 3.143 50 1 IGGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433271 PRLJTUBIUKQZBE-MLUNNPJHSA-N 444.487 3.144 50 1 IGGF COC(=O)CCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27628155 VKKOJXNKBGTTJL-UHFFFAOYSA-N 432.654 3.112 50 1 IGGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587410371 RLRRIRRLPCOEPU-NRFANRHFSA-N 434.945 3.389 50 1 IGGF C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1O 103242097 GAJDNRQUYCWGNE-VFCFBJKWSA-N 443.551 3.259 50 1 IGGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2C 82053091 AFOSBOCSADAKKB-ZDUSSCGKSA-N 444.297 3.474 50 1 IGGF Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nncn3C)n2-c2ccccc2)cc1 103238690 IUSLCKCOJBDQDE-NJNXFGOHSA-N 436.566 3.367 50 1 IGGF Cc1cn([C@H]2C[C@H](n3nncc3C3CC3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473134759 CSRKFNBQNFJUOU-CGTJXYLNSA-N 447.612 3.277 50 1 IGGF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCSSCCN(C)C 618010471 XZHCXFKLMQCKMA-SFHVURJKSA-N 427.636 3.339 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@@](CBr)([C@H]3COc4ccccc4O3)c3cccc1c32 963037986 ZCSZMKVLEBDHAE-XMLVGPMBSA-N 429.314 3.170 50 1 IGGF CN(C)CCSSCCCNC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 618012559 PCZLWIGFDWITOW-HNNXBMFYSA-N 437.672 3.144 50 1 IGGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cc(O)c(O)cc3O)cc2)o1 1772577130 TYQLSHJZCXDACH-WYMPLXKRSA-N 446.419 3.293 50 1 IGGF CCCCNS(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857563091 CPLQFNGWLKVREM-HAVVHWLPSA-N 435.933 3.204 50 1 IGGF O=CC1=COc2c([N+](=O)[O-])cc(F)cc2[C@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962573012 MGWXFUYIERTJDS-PXNSSMCTSA-N 430.775 3.104 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 587392427 ZEZUYFQVKVJMMX-PUAOIOHZSA-N 431.492 3.243 50 1 IGGF Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2nnc(C)s2)cc1 1911577634 QLOAMQUJSIAEMP-LFIBNONCSA-N 440.506 3.468 50 1 IGGF CO[C@@H]1[C@H](OC(=O)C=C[C@@H]2O[C@@H]2C)CC[C@](O)(CCl)[C@@H]1[C@]1(C)O[C@@H]1CC=C(C)C 2356638519 HVVQOFBOWDNQCO-PUHDPWRPSA-N 428.953 3.150 50 1 IGGF O=C(CC(=O)Nc1ccc(Cl)cc1)NNCC(=O)Nc1nc(-c2ccccc2)cs1 1613066 OBHLEKJFIMISHS-UHFFFAOYSA-N 443.916 3.052 50 1 IGGF C[C@@H]1CC[C@H]2[C@](Br)(CBr)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371453 SPDKABPDDJUGRG-XMNQTZONSA-N 440.128 3.287 50 1 IGGF C=C1[C@H](O)[C@@H](O)[C@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]13C2(C)C 166525976 HHAPTLGHHVSVQT-LACOISLLSA-N 444.591 3.335 50 1 IGGF NNC(=O)c1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587662597 NMESIFOQNFLZFU-UHFFFAOYSA-N 431.452 3.405 50 1 IGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 95808888 KJUJBLSCIYYMSB-HYARGMPZSA-N 428.445 3.435 50 1 IGGF COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]2C[C@H]1S(=O)(=O)c1ccccc1 205703405 SLWOOBALFSOVFC-ZBRFXRBCSA-N 426.607 3.180 50 3 IGGF Cc1cc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)[nH]n1 33344732 KAKKNVZHEPGZPU-NHDPSOOVSA-N 427.258 3.464 50 1 IGGF N#C[C@@H](Br)C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 45258379 KUYXYJYTQQCJGH-BNGPMPHDSA-N 436.265 3.037 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 587392426 ZEZUYFQVKVJMMX-LMKMVOKYSA-N 431.492 3.243 50 1 IGGF Cc1cc([C@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)no1 962656434 APXZWZLHMNDHEF-UXHICEINSA-N 430.302 3.268 50 1 IGGF COc1cccc(C(=O)NNC(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])s4)nc3c2)c1 66075608 KWJMPAOCQWHGGW-UHFFFAOYSA-N 437.437 3.283 50 1 IGGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2F)cc1 40893348 MFBDQWRJRHJCJS-LWROZRRASA-N 439.512 3.174 50 1 IGGF N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53229298 QCFPHRWEYJTIDI-GOTSBHOMSA-N 434.588 3.324 50 1 IGGF CCOc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 166168673 OMJNSVVPACCGQN-PEZGRIKUSA-N 443.135 3.368 50 1 IGGF CO[C@@H]1[C@H](OC(=O)C=C[C@@H]2O[C@@H]2C)CC[C@](O)(CCl)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C 2356638520 HVVQOFBOWDNQCO-QKHKWMJWSA-N 428.953 3.150 50 1 IGGF O=C(CBr)NCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586970739 FOUJWANPRSZCTP-UHFFFAOYSA-N 429.034 3.398 50 1 IGGF CS(=O)(=O)c1ccc2[nH]c(CBr)c(CN3C(=O)c4ccccc4C3=O)c2c1 587649338 SDYJMNGAPVAIFR-UHFFFAOYSA-N 447.310 3.263 50 1 IGGF O=S1(=O)COC[C@@H](COCc2ccc(-c3ccc(CBr)cc3)cc2)N1 58590561 LDCUYDOXJXDLPK-GOSISDBHSA-N 426.332 3.041 50 1 IGGF COc1c(B(O)O)cccc1-c1cc(-c2cc(F)cc(F)c2)c2c(ccc3n[nH]cc32)n1 1857581352 NTZDFOFIHAWSCS-UHFFFAOYSA-N 431.207 3.412 50 1 IGGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(N)=O 587325417 FBUQDVGRDQKNDE-KNQAVFIVSA-N 428.847 3.462 50 1 IGGF O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21 1772625638 CBBJKEWGUCYSAO-UHFFFAOYSA-N 434.786 3.342 50 1 IGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 962916155 CAIMBJIYDYSIJO-UWJYYQICSA-N 447.304 3.190 50 1 IGGF COC1=CN(C)C(CCl)=C[C@@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963143174 MFTYQJVETGDUTD-YJYMSZOUSA-N 441.937 3.141 50 1 IGGF CCCCC[C@H](C=C[C@@H]1[C@H](CC=CCCCC(=O)OC(CO)CO)[C@H]2C[C@H]1OO2)OO 2356342690 CSMKZOGJSGGURC-SGCGGLILSA-N 442.549 3.329 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCO4)cc(Br)c1OC 1857771354 TUQSNPAMIRTBBJ-SFHVURJKSA-N 445.269 3.456 50 1 IGGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccncc1 28228245 NXBPKIGFTUSLAA-OPEKNORGSA-N 431.327 3.355 50 1 IGGF CC(C)(C)OC(=O)N[C@H](C(=O)/C(C#N)=C(\O)c1ccccc1)C(=O)[C@H](N)Cc1ccccc1 101175041 GQURVBSLXXOCAS-RPJBUWBMSA-N 449.507 3.081 50 1 IGGF CC[C@H](C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)[Si](C)(O)O 170168182 FOTYGPLESIQEOI-IMRHEYAYSA-N 444.648 3.040 50 1 IGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587745763 GNCGISAQXDTCCR-HTGLOVNISA-N 436.325 3.143 50 1 IGGF CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 166168549 OMJNSVVPACCGQN-PLJUSGQGSA-N 443.135 3.368 50 1 IGGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 199886825 GDGLETUAADYDCV-ZWKOTPCHSA-N 427.848 3.235 50 1 IGGF N[C@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(Cl)cc2Cl)CC1 170188885 KYDXCKVQHIFMJU-FQEVSTJZSA-N 445.196 3.063 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587683198 FTIAPKYLHNUGMT-MGNBDDOMSA-N 445.716 3.328 50 1 IGGF CN(C)CCSSCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 618009015 OTCMATSRTBLJOR-KRWDZBQOSA-N 427.636 3.182 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]1C(=C)C=O 2356376822 XLIBUAZXWWMZDZ-KSNCWDBZSA-N 428.481 3.027 50 1 IGGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1)c1cccc(Cl)c1 66075591 BTWAWOQKSBKNNX-UHFFFAOYSA-N 425.788 3.459 50 1 IGGF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2C[C@@H](Cl)C3=C(COC3=O)[C@@]21C)C(C)C 2356719639 DCQKNTFSXKCQSC-CIYCUSFMSA-N 425.953 3.366 50 1 IGGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(-c3nnn[nH]3)cc2)c1 38145357 KUWLLMNYFJGNFS-VUZMPXBXSA-N 441.520 3.474 50 1 IGGF Nc1nccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587323926 UUKXOODQRHLSQS-YLJYHZDGSA-N 444.260 3.553 50 1 IGGF CC[C@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169363462 LLEYTMCHSAVWTC-MCKVFWGGSA-N 439.549 3.433 50 1 IGGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(N)=O 587546597 WXLYDSXXRQMSEA-NFBKMPQASA-N 440.883 3.392 50 1 IGGF CCN(CC)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)cc1 1857594189 DHVBZXXBEJHGQR-OQKWZONESA-N 435.933 3.156 50 1 IGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689760 VSTDSPPEECIDNP-UNLTUULFSA-N 436.705 3.051 50 1 IGGF CCOC(O)=C(C#N)C=Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1857742777 UGXXWNSMOYWDSN-UHFFFAOYSA-N 429.454 3.291 50 1 IGGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433272 PRLJTUBIUKQZBE-ZXKWBQDJSA-N 444.487 3.144 50 1 IGGF COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C=C(C=O)[C@@H]2CO)cc(OC)c1OC 13309161 JWPKJTCSNFOPKB-OXJNMPFZSA-N 444.480 3.075 50 1 IGGF biogenic C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC(=O)OCC)=C(C#N)[C@H]1c1cccnc1 20057947 ITXCAGBYQIGJMI-GMQRBVGNSA-N 442.497 3.353 50 1 IGGF CC/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Br)cc12 1857619753 DTSVSCAYEJZHEL-PGMHBOJBSA-N 449.330 3.423 50 1 IGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H]4C[C@@H](OC[C@@H]4C)[C@](C)(O)[C@H]23)[C@@](C)(OC(=O)CCC)CC[C@H]1OO 2356458895 VYGDZAKXSTVQPQ-RLWBWIQPSA-N 438.561 3.492 50 1 IGGF C[C@@H]1CC[C@H]2[C@](Br)(CBr)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43833607 SPDKABPDDJUGRG-GMKAKYJRSA-N 440.128 3.287 50 1 IGGF COc1cnc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12 1772645122 RJMPNBLDKMGHPA-UHFFFAOYSA-N 444.241 3.310 50 1 IGGF COc1ncc(-c2ccc3ncnc(N[C@H]4CCCN(C(=O)CCl)C4)c3c2)cc1C#N 1857606478 DKFNGCUNHBUWJO-KRWDZBQOSA-N 436.903 3.214 50 1 IGGF O=C(N/N=C/c1ccc(OCCCn2cc(C3(O)CCCCC3)nn2)cc1)c1ccncc1 169346144 MMVPBQGUPOYIIC-YZSQISJMSA-N 448.527 3.058 50 1 IGGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1 618017442 KWKUZLJUWSFLQJ-XLIONFOSSA-N 435.659 3.141 50 1 IGGF COc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 55805356 ABEKJLRNVMRDFB-QFIPXVFZSA-N 436.537 3.067 50 1 IGGF COC(=O)c1cc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587414653 OBAAGHJIZMRMGA-VLIAUNLRSA-N 433.254 3.225 50 1 IGGF COC(=O)c1cc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2cc1OC 587009628 NVYJTUIEIAYFTK-SFHVURJKSA-N 440.887 3.478 50 1 IGGF CCCN1N=C[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](Cl)C1=O 962960668 TWCQAIPECMQFCF-APWZRJJASA-N 429.870 3.398 50 1 IGGF O=C(O)[C@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892477 STMDILUWEZZLDN-HTQZYQBOSA-N 427.145 3.462 50 1 IGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587683738 HWOPSVSVSWDALY-WLRWDXFRSA-N 441.728 3.469 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587683203 FTIAPKYLHNUGMT-MLCYQJTMSA-N 445.716 3.328 50 1 IGGF CC(C)(C)c1nnc2sc(SCC(O)=C(C#N)c3nc4ccccc4[nH]3)nn2c1=O 1857622308 LHHYGDVTVSCQKY-UHFFFAOYSA-N 439.526 3.305 50 1 IGGF CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 45340379 BRFSAHREHOBUQM-UHFFFAOYSA-N 445.328 3.150 50 1 IGGF Cn1c([C@H](CCCNC(=N)CCl)NC(=O)c2ccccc2C(=O)O)nc2ccccc21 1857638804 YRMGAQBSNCRDKM-KRWDZBQOSA-N 441.919 3.328 50 1 IGGF C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(=O)C(C)=CC)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(=O)C(C)=CC 2356498516 BLOLONQBMLUSIP-FEKYDKKZSA-N 442.508 3.417 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@@]3(c4cccc1c42)[C@@H](Br)[C@H]1CC[C@@]3(C(=O)O)C1(C)C 963029235 PTHYYMJQEAWSAI-FTCMQAMSSA-N 433.346 3.220 50 1 IGGF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC(=O)NCCCl)cc1)[C@@H](C)N2 28097716 ZNQOENRHQKZKKH-LLVKDONJSA-N 446.895 3.494 50 1 IGGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)c1ccc(Cl)cc1 299862745 NUTGWMVFHAROCJ-UHFFFAOYSA-N 446.894 3.102 50 1 IGGF CC(C)(C)COC(=O)OC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@H]2SC1(C)C 2356695897 ARLJVXKILPRVFL-HLLBOEOZSA-N 439.578 3.048 50 1 IGGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCN(C)CC1 13491841 RQQHTDNUQZRYBY-IBGZPJMESA-N 427.936 3.340 50 1 IGGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587448326 IFEAZHISIRKMGL-KXBFYZLASA-N 437.311 3.137 50 1 IGGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963035058 WESUCBRARSVQSS-NPMABZOXSA-N 438.915 3.096 50 1 IGGF O=C(CCc1cccc[n+]1[O-])NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26991245 LSEUNAXKXDTJTK-UHFFFAOYSA-N 438.871 3.459 50 1 IGGF COc1ccc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1O 33406835 XQMRJQFNKKMLSA-NDENLUEZSA-N 431.495 3.027 50 1 IGGF COc1cccc(/C=N\NC(=O)c2[nH]c(C)c(C(=O)N/N=C/c3cccc(OC)c3)c2C)c1 61695529 MYJYHWXNINGPAF-STRMTGLTSA-N 447.495 3.177 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2cccc(F)c2)cc1 96284143 BLYJSOPJRQBBBI-NRFANRHFSA-N 426.427 3.486 50 1 IGGF COc1c(Br)cc(/C=N/NC(=O)c2cccnc2)c(OC)c1Br 40916581 GVVKDEJWDNKKFM-UFWORHAWSA-N 443.095 3.388 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O 587450098 RPMJEXOQDISPFL-KKYRWEBSSA-N 447.940 3.288 50 1 IGGF COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1OCn1ccc(C(=O)NN)n1 587901673 MOKKUGCFJQZLJW-UHFFFAOYSA-N 431.279 3.238 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O 587449857 DRODQQGPFJCPGT-LZFQIVBZSA-N 449.956 3.355 50 1 IGGF C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(=O)C(C)C 238754922 GMTCNRGBCVJUIX-VBCAFPCJSA-N 430.497 3.107 50 1 IGGF C[C@@H]1CC(C)(C)N[C@@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 14243561 YYEKMGVVCOWLPF-JQQNFUDXSA-N 446.356 3.116 50 1 IGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84668405 HRQOBOKHXVYYJT-HWDBZHCTSA-N 442.505 3.009 50 1 IGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587751844 ZDOQMLHMKBRKTG-HTGLOVNISA-N 436.325 3.143 50 1 IGGF N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccc(OCC(N)=O)cc1 4163040 TXJPEHVDTJIOBW-OAQYLSRUSA-N 437.459 3.312 50 1 IGGF CC[C@H](O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](O)CC 29483589 BOIPNRZERHMMCS-IYBDPMFKSA-N 448.610 3.487 50 1 IGGF Cc1ccc([C@@H]2C(C#N)=C(N)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])c(F)c1 103210749 YQPHLJMPWMNNBM-GOSISDBHSA-N 440.866 3.237 50 1 IGGF CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2ccc(Cl)cc2)CC1)=C(/O)OCC 103351215 AQBVDJJIZNZGHD-KEVODGHSSA-N 432.908 3.258 50 1 IGGF CCCCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 299871025 XOJKPWRSPBJZAU-UHFFFAOYSA-N 444.944 3.469 50 1 IGGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@@]13OO2 100832176 ILYFDZSLAGLURK-KTSNUXKOSA-N 429.510 3.060 50 1 IGGF N#CSC[C@@]1(c2ccc(O)c(O)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962644009 STSZTOURVBILMM-XIKOKIGWSA-N 440.399 3.053 50 1 IGGF OB(O)c1ccc([C@]2(C3CCCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706718 OHLRBNBKDDDWLF-GBXCKJPGSA-N 425.378 3.303 50 1 IGGF COc1cc2c3c(c1)O[C@@]1(c4cc(C#N)c(O)nc4CC[C@@H]1Br)[C@@H](C2)C3=O 587416849 FPZVJPVEBWOOHY-RISOHXOYSA-N 427.254 3.020 50 1 IGGF COc1ccccc1-n1c(SCC(=O)NN)nc2scc(-c3ccccc3)c2c1=O 28133959 CZBAUVBWXRXNET-UHFFFAOYSA-N 438.534 3.205 50 1 IGGF Nc1nccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587323925 UUKXOODQRHLSQS-XLIONFOSSA-N 444.260 3.553 50 1 IGGF O=C(N/N=C/c1ccco1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 13518619 MUAHJOHKMYAYON-ZVMZLPNLSA-N 443.507 3.364 50 1 IGGF COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963035060 WESUCBRARSVQSS-ZLOXQWCVSA-N 438.915 3.096 50 1 IGGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1ccccc12 1857579858 ISLVNNAYNPDFLA-FQEVSTJZSA-N 442.504 3.235 50 1 IGGF COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccccc3)cn(C3CC3)c12 64559301 VQNCKDJEXMYQRI-UHFFFAOYSA-N 444.463 3.255 50 1 IGGF N#C/C(=C\C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 169312585 KBBXICQKXAEXIG-XMFIIHGRSA-N 448.870 3.400 50 1 IGGF O=C(N/N=C/c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29557004 MUAHJOHKMYAYON-TUJXVDMFSA-N 443.507 3.364 50 1 IGGF Cc1ccc2c(c1)cc([C@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 299827471 FXIJTKOHALGCSK-QFIPXVFZSA-N 448.490 3.286 50 1 IGGF CCOC(=O)[C@H](Cl)[C@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962624490 CUFILLNGHYCSBD-GVDBMIGSSA-N 439.892 3.347 50 1 IGGF NC(=O)COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587544558 OMGQYSNFAQYNJV-NFBKMPQASA-N 439.851 3.352 50 1 IGGF CC(C)(C)[Si](O[C@@H]1[C@H]2CCC3(OCCO3)[C@H]2C[C@H]1O)(c1ccccc1)c1ccccc1 221738968 XIPBKSHDLSBBBF-CJRSTVEYSA-N 438.640 3.466 50 1 IGGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C(C=O)[C@H](C=O)[C@@]32C)cc1 2356625769 YWTPSTGVICXAEK-QYMYTIESSA-N 426.509 3.378 50 1 IGGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O 587448607 KIBPVJCNBTYWBE-ZOCIIQOWSA-N 437.311 3.104 50 1 IGGF CC[C@@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169363464 LLEYTMCHSAVWTC-PUUZMKGTSA-N 439.549 3.433 50 1 IGGF [C-]#[N+][C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(Nc2ccc(OC(F)F)nc2)c(C(N)=O)c1 261190168 YVKWIIHEUFTVPO-ZVZYQTTQSA-N 430.459 3.414 50 1 IGGF CCN(c1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)S(C)(=O)=O 587451481 YHGXUPPNDYKKPT-UTKZUKDTSA-N 435.929 3.363 50 1 IGGF CCOC(=O)/C(C#N)=C1/C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 587891005 JELJSWSIAGONQU-ZPHPHTNESA-N 430.291 3.040 50 1 IGGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 1485758 RGJDUAIOTPODAF-UHFFFAOYSA-N 444.451 3.106 50 1 IGGF COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 72124469 WMUPTDJLXSQLRV-QFIPXVFZSA-N 430.464 3.004 50 1 IGGF Cc1ccc(OC(=O)NCCO/C(O)=N/S(=O)(=O)c2ccc(CCCl)cc2)cc1 68586643 WRSFTSRAZVCDOD-UHFFFAOYSA-N 440.905 3.184 50 1 IGGF biogenic COc1ccc2c(c1OC)[C@@H]([C@H](Br)C(C)=O)N(C(=O)c1ccccc1N)CC2 963135845 BYOZDOMKXHOCJT-MOPGFXCFSA-N 447.329 3.378 50 1 IGGF Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)/C(C#N)=C/N(C)C 71318301 UMYBJJZPJBPBGV-JQIJEIRASA-N 439.479 3.196 50 1 IGGF CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 653726411 WGZPTSJZCLYPRI-RWEWTDSWSA-N 428.492 3.265 50 1 IGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccc3c(c2)OCO3)N1 963229330 KBZAFQUFFAGDBC-LAUBAEHRSA-N 441.281 3.201 50 1 IGGF C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O 103242045 KLOZHCMFTMOJNS-MTDXEUNCSA-N 447.514 3.403 50 1 IGGF O=C([C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(O)c(O)c2)N1)C(F)(F)F 962732079 WKYUCQBPWJRVGD-GUYCJALGSA-N 430.220 3.382 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1 28341928 ITRRWFIDRBICJY-UHFFFAOYSA-N 444.488 3.474 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)O2 587410344 QWQDDALWRIYBNA-LRTDBIEQSA-N 434.945 3.387 50 1 IGGF O=C(NNCc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1857764842 RACLZNXQBDTXMS-UHFFFAOYSA-N 447.919 3.392 50 1 IGGF CCS(=O)(=O)CCC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 13746346 MKWZNWIFSJUXCI-UHFFFAOYSA-N 437.905 3.018 50 1 IGGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586970457 BHGQJHAWNQMCEJ-UHFFFAOYSA-N 429.034 3.398 50 1 IGGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NC2CCCC2)c2ncccc2c1 1857632104 NDCANELZYMMGDE-OAHLLOKOSA-N 428.537 3.280 50 1 IGGF Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H]3CC(=O)SS3)O2)c(=O)[nH]c1=O 195196532 LTOPNGYHNYFPTH-XPCVCDNBSA-N 444.651 3.203 50 1 IGGF O=C(CBr)NCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586971821 ZKXZQSUVUGUALS-UHFFFAOYSA-N 429.034 3.398 50 1 IGGF O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892486 STMDILUWEZZLDN-SFYZADRCSA-N 427.145 3.462 50 1 IGGF N#CSC[C@]1(c2ccc(O)c(O)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962644005 STSZTOURVBILMM-KZULUSFZSA-N 440.399 3.053 50 1 IGGF O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NN=C1C(=O)Nc2ccccc21 1857572542 AZJUSVNDEUBHSK-UHFFFAOYSA-N 439.427 3.311 50 1 IGGF CC(=O)O/C=C1/CCC/C(C=O)=C/C[C@H]2C(C(=O)/C=C\C(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 238783310 PGYCRIBVSDGTRT-BMYKDRFFSA-N 446.496 3.065 50 1 IGGF CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@@H]2N1)C(=O)c1ccc2ccccc2c1O 618012980 KTCZAIRHUKYGKR-RKOGWWSCSA-N 429.948 3.219 50 1 IGGF COc1ccc2occ(C3=C[C]4c5cc6c(cc5CCN4C(N)=C3C#N)OCO6)c(=O)c2c1 2356815995 KHIDTZCJUMIKLS-UHFFFAOYSA-N 440.435 3.060 50 1 IGGF C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(=O)/C(C)=C\C 238754944 BLOLONQBMLUSIP-VIJWBSPDSA-N 442.508 3.417 50 1 IGGF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CBr)[nH]c4c3)cc2)CC1 586972537 WEOAMHVQVXJTNE-UHFFFAOYSA-N 442.361 3.458 50 1 IGGF NC(=O)c1coc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963176118 CGMJVBCVVYOYSB-QLJPJBMISA-N 437.201 3.132 50 1 IGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)NC(=O)[C@@H](C)O4)[C@@H](C2)C3=O 587413284 MKQDFTUEWWDSQW-LHZHGFSSSA-N 444.281 3.452 50 1 IGGF CCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)CC)c1ccc([N+](=O)[O-])cc1 1857749874 WNQSLBAHOMSICE-CZUORRHYSA-N 449.287 3.221 50 1 IGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(OCCO)c1 95808477 PFMXRLHQKYZHCC-JJIBRWJFSA-N 427.501 3.193 50 1 IGGF O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NNc1nncc2ccccc12 84604191 UAXFMOJEKHVDKE-UHFFFAOYSA-N 444.461 3.304 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2cc2c(c3O)OCO2)cc(Br)c1OC 1857653679 KHRPGZIOWGUZLO-CQSZACIVSA-N 447.241 3.119 50 1 IGGF COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC 2002918 FNKMCGSVNLLYKM-UHFFFAOYSA-N 449.558 3.046 50 1 IGGF O=C(NNC(=S)NCc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 5822449 SLPDUWREUUGTTF-UHFFFAOYSA-N 448.643 3.071 50 1 IGGF COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 84706368 HFIHQRCBUNDUCK-QZTJIDSGSA-N 447.278 3.280 50 1 IGGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2nccc3ccccc23)CC1 618008674 JJSJMAORLLTADJ-UHFFFAOYSA-N 446.642 3.146 50 1 IGGF CN(C)c1ccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1 98084058 QXXDHEYRSZIWJX-OEAKJJBVSA-N 431.525 3.124 50 1 IGGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)CBr 587274369 UEOWBOKDANJZOU-LURJTMIESA-N 441.901 3.424 50 1 IGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-n1nnnc1CCl 587879688 ZYXPOUOGAAVACJ-UHFFFAOYSA-N 434.714 3.418 50 1 IGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn(-c4ccccc4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772646918 JYIDCAXCLBBRNI-QNTXSVLTSA-N 438.528 3.461 50 1 IGGF N#C/C(NCc1ccccn1)=C1\C(=O)c2ccccc2[C@@]12c1ccsc1CCN2C(N)=O 962713994 QDSUVOCRGSCURH-UGLNLTSSSA-N 441.516 3.087 50 1 IGGF COc1cc2c3c(c1)O[C@]1(c4cc(C#N)c(O)nc4CC[C@H]1Br)[C@@H](C2)C3=O 587416847 FPZVJPVEBWOOHY-GQWAEJPESA-N 427.254 3.020 50 1 IGGF COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 102118259 XKIJVMUIJIRYPS-JOCHJYFZSA-N 436.537 3.468 50 1 IGGF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586905814 CXFXTQLKUZKZFW-UHFFFAOYSA-N 449.444 3.350 50 1 IGGF C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN 587751849 ZDOQMLHMKBRKTG-XAAFQQQXSA-N 436.325 3.143 50 1 IGGF O=C(CBr)NCCc1nc2c(Br)ccc(Br)c2[nH]1 586970408 ACRFOJQMHYDXBQ-UHFFFAOYSA-N 439.933 3.142 50 1 IGGF CC(=O)N1CCC(C(=O)Nc2nccc(/C(C#N)=C3\NC(C(C)(C)C)=CS3)n2)CC1 64453457 UJTDBLDNNMBODS-XDJHFCHBSA-N 426.546 3.090 50 1 IGGF O=C(N/N=C(C(=N/NC(=O)c1ccncc1)/c1ccccc1)\c1ccccc1)c1ccncc1 49054251 MOFODFMUDKJYCC-HCTXVGCHSA-N 448.486 3.445 50 1 IGGF COc1ccc(OC(C)=O)c(/C=N\NC(=O)[C@H](C)Oc2ccccc2Br)c1 64245753 YSZIXRNSEKDEML-WLQYJRLHSA-N 435.274 3.301 50 1 IGGF C[C@@H]1CC[C@H]2C(CC(C(=O)O)C(=O)O)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103187416 QVMXNQVTTGGKEE-CKPFACQHSA-N 436.379 3.224 50 1 IGGF CCOC(=O)[C@@H](Cl)[C@@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962625715 CUFILLNGHYCSBD-ULQDDVLXSA-N 439.892 3.347 50 1 IGGF CC(=O)C1=C(O)/C(=C(\O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC1=O 169336586 IAYSXVROHHPRTM-ZRDIBKRKSA-N 425.237 3.390 50 1 IGGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587047841 ADQLZXJLHLRKKY-UHFFFAOYSA-N 442.907 3.130 50 1 IGGF COC1=CN(C)C(CCl)=C[C@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963143171 MFTYQJVETGDUTD-ORAYPTAESA-N 441.937 3.141 50 1 IGGF N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21 40943700 FTSDXUXHHBRVGQ-UHFFFAOYSA-N 432.505 3.209 50 1 IGGF O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 44387176 FHVCUDOQNNJRIT-UDJWRJMGSA-N 440.327 3.392 50 1 IGGF CC[C@@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169363463 LLEYTMCHSAVWTC-DAVZBZLMSA-N 439.549 3.433 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)O2 587408918 FJVSOUCAGFUTBN-OAQYLSRUSA-N 434.945 3.140 50 1 IGGF CN(C)CCSSCCNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 618008683 JNLFTPOSDAJZAB-SFHVURJKSA-N 425.620 3.237 50 1 IGGF CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 504472675 PGLPIGNVKSMLLT-CHCKIVMRSA-N 439.549 3.290 50 1 IGGF biogenic COc1ccc(OC)c(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 33406834 HMTSWKDHUIMXRN-BKUYFWCQSA-N 445.522 3.330 50 1 IGGF C/C=C(/C=O)CCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 26495508 AIKLTBLILJYWKO-DICNHZMZSA-N 449.459 3.445 50 1 IGGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)CBr 587274373 UEOWBOKDANJZOU-ZCFIWIBFSA-N 441.901 3.424 50 1 IGGF CCN(c1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)S(C)(=O)=O 587451479 YHGXUPPNDYKKPT-DYESRHJHSA-N 435.929 3.363 50 1 IGGF CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857654415 ZJUOEEXXNZKGCP-SFHVURJKSA-N 448.439 3.060 50 1 IGGF COc1ccccc1N1CCN(CC(=O)/C(C#N)=C2/NC(c3ccccc3)=CS2)CC1 12468427 JSYZCEUNQRRHPX-CLCOLTQESA-N 432.549 3.456 50 3 IGGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NC2CCCC2)c2ncccc2c1 1857632103 NDCANELZYMMGDE-HNNXBMFYSA-N 428.537 3.280 50 1 IGGF COC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C(=O)OC(C)(C)C 1857771716 VZJNWBQRQWLMIB-IBGZPJMESA-N 437.374 3.484 50 1 IGGF COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccncc2)c(OC)c1 15974249 SERSKFFUSKWYRP-GLVRKNBYSA-N 430.464 3.020 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccccc3O)c2c(=O)n1-c1cccc(F)c1 28346699 QNADMQPHESPFKE-UHFFFAOYSA-N 442.497 3.041 50 1 IGGF CCOC(=O)[C@@H](Cl)[C@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962625719 CUFILLNGHYCSBD-YESZJQIVSA-N 439.892 3.347 50 1 IGGF CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)Nc1nccs1 44386584 RCPWCRFPCOXJBQ-MRXNPFEDSA-N 429.373 3.113 50 1 IGGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4OC(=O)[C@@]2(Br)CBr 169371451 SPDKABPDDJUGRG-MMIKVBKHSA-N 440.128 3.287 50 1 IGGF N#CSC[C@]1(c2ccc(O)c(O)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962644003 STSZTOURVBILMM-KPZWWZAWSA-N 440.399 3.053 50 1 IGGF COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 72124470 WMUPTDJLXSQLRV-JOCHJYFZSA-N 430.464 3.004 50 1 IGGF COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1OC 98085585 HWHQEBXVACJTOF-YDZHTSKRSA-N 448.508 3.075 50 1 IGGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962934983 XADUZOPRVXSDNK-DYESRHJHSA-N 435.977 3.080 50 1 IGGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 95599677 XNWGMKSCKXPBKH-QFIPXVFZSA-N 434.471 3.017 50 3 IGGF O=c1nc(N2CCOCC2)oc2c(-c3ccccc3)c(OCCBr)ccc12 1772575371 UUPPGRIXEOHPAH-UHFFFAOYSA-N 431.286 3.465 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1 28349737 JQZUHMMIHNQBDK-UHFFFAOYSA-N 426.498 3.335 50 1 IGGF COc1ccc(CCNc2ncnc3c2ncn3[C@H]2C[C@@H]3[C@@H](Cl)C[C@H]2[C@H]3CO)cc1 473113953 HWPLCPZDVAYLAD-VMXHOPILSA-N 427.936 3.286 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O 587449858 DRODQQGPFJCPGT-QRFQSNJMSA-N 449.956 3.355 50 1 IGGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2cc3c(O)nc(O)nc3nc21 587365069 AQASHNNXEVGQLH-HXUWFJFHSA-N 433.295 3.367 50 1 IGGF O=C(O[C@H](Br)CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1 146535043 CTPTZCFMSXBWEB-STQMWFEESA-N 435.112 3.447 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 587392425 ZEZUYFQVKVJMMX-IVCQMTBJSA-N 431.492 3.243 50 1 IGGF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C=C(C=O)[C@H]2CO)cc(OC)c1OC 13309163 JWPKJTCSNFOPKB-UZLBHIALSA-N 444.480 3.075 50 1 IGGF biogenic Cn1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br 169702860 XDNURFIIABSWFF-FRKPEAEDSA-N 430.056 3.222 50 1 IGGF O=C(CBr)NCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586971361 RDPUBBIGAISIOX-UHFFFAOYSA-N 445.033 3.278 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)O2 587410388 SCRRVKYIUPCZOU-NRFANRHFSA-N 434.945 3.389 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O 587450100 RPMJEXOQDISPFL-KRYGIPSASA-N 447.940 3.288 50 1 IGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2ccc3c(c2)OC(F)(F)O3)N1 962916864 XKUZPNPSXFAZNN-SJCJKPOMSA-N 444.203 3.385 50 1 IGGF CC(C)(C)[Si](O[C@@H]1[C@@H](O)C[C@H]2[C@@H]1CCC21OCCO1)(c1ccccc1)c1ccccc1 221739021 XIPBKSHDLSBBBF-ZJZGAYNASA-N 438.640 3.466 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(F)c2)c1 96284126 LLQDGKJSYCJLJA-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF O=C(N/N=C/c1ccccc1Br)N1N=C(c2ccco2)C[C@]1(O)C(F)(F)F 1857774305 PQTVKPMMFXDFRJ-PZEXIZOFSA-N 445.195 3.447 50 1 IGGF CN(C)CCSSCCn1cc(CSc2nc(O)cc(C(F)(F)F)n2)nn1 618012386 DJWHZURFPSHANP-UHFFFAOYSA-N 440.542 3.028 50 1 IGGF O=C(CNc1cccc(C(=O)NCc2ccccc2)c1)N/N=C1\CCCc2cnccc21 1772598477 JOJIACUBCDTHHJ-BYNJWEBRSA-N 427.508 3.280 50 1 IGGF CCCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 299868529 RQLZOQLNPTZSTE-UHFFFAOYSA-N 430.917 3.079 50 1 IGGF CC[C@H](O)[C@](C)(O)[C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356703107 MBEVYGYNDJZZPR-SRPRTCBCSA-N 430.661 3.082 50 1 IGGF C/C(=N\NC(N)=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1C 28391280 RVQHPMPTTVSSMO-DHRITJCHSA-N 437.467 3.102 50 1 IGGF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)CC[C@H]1CCSS1 34642726 KVQJLHKHPWLRQD-JKSUJKDBSA-N 440.612 3.352 50 1 IGGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 618008661 SJFVNIKGVJAKOI-FQEVSTJZSA-N 435.659 3.475 50 1 IGGF O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 44156967 GYSQZWJTUJWTML-UHFFFAOYSA-N 439.505 3.369 50 1 IGGF COc1cccc(-n2c(SCC(=O)NN)nc3scc(-c4ccccc4)c3c2=O)c1 28340466 ZFLOTGFUOMDIOR-UHFFFAOYSA-N 438.534 3.205 50 1 IGGF CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@H]2N1)C(=O)c1ccc2ccccc2c1O 618012981 KTCZAIRHUKYGKR-ZSXHRAQDSA-N 429.948 3.219 50 1 IGGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@@H](O)[C@@]2([C@@H](C)COC(C)=O)C=C[C@]3(C)OO2)cc1 64448288 HTAWJDRWSTVEJD-AYBKQJJMSA-N 446.540 3.442 50 1 IGGF CCCCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@]2(C)O[C@H]1O 2356623713 KOJDHHJUQBZUHA-LAJDLSKKSA-N 427.969 3.143 50 1 IGGF O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCN1C[C@H](Br)C1=O 84462233 QMPFEAUKNJUGHJ-RDJZCZTQSA-N 430.346 3.360 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCN4)cc(Br)c1OC 1857769048 ZOCFAGRBSYHNTF-GOSISDBHSA-N 444.285 3.489 50 1 IGGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@]13OO2 43328131 ILYFDZSLAGLURK-DZHLENKCSA-N 429.510 3.060 50 1 IGGF COc1ccc(/C=N/NC(=O)c2cc(Br)c(Br)n2C)cc1OC 169702865 AUNYVMBJGYCMMB-QGMBQPNBSA-N 445.111 3.331 50 1 IGGF COC(=O)[C@H](CC(C)C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCl 61924411 WKABFRDITXGCLY-AWEZNQCLSA-N 426.760 3.365 50 3 IGGF CO[C@H]1C[C@H]2C(=C[C@@H]1Cl)[C@H]1CN2Cc2c1cc1c(c2I)OCO1 1857758367 BDSNRFGNQPYNIP-PYJNHQTQSA-N 445.684 3.254 50 1 IGGF O=C(Cc1ccc(O)c(Br)c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72178555 YZNVDIYMRHUFHY-UHFFFAOYSA-N 443.084 3.477 50 1 IGGF C/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(Br)cc12 1857543018 RROLHDDOUXNTGL-MTJSOVHGSA-N 449.330 3.342 50 1 IGGF C#C[C@H](Br)[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@H]2[C@H](C)O1 2356799139 UBDKCFIVYUAQMW-SZTRGYIESA-N 442.575 3.246 50 1 IGGF O=C(NNC(=S)Nc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 1647816 ICIOLENURHFNRO-UHFFFAOYSA-N 434.616 3.394 50 1 IGGF N#C[C@@H](Br)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 45258387 KUYXYJYTQQCJGH-UIJHXXCUSA-N 436.265 3.037 50 1 IGGF C/C(=N/NC(=O)[C@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 299871932 ZMOTVEHZYMSNLT-WBRURWICSA-N 446.579 3.033 50 1 IGGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(N)=O 587546614 WXLYDSXXRQMSEA-OFNKIYASSA-N 440.883 3.392 50 1 IGGF O=C(N/N=C\c1ccccc1C(=O)O)c1ccc(NS(=O)(=O)c2cccs2)cc1 33406635 UCTRDQVCSHCWKH-NDENLUEZSA-N 429.479 3.011 50 1 IGGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O 587448605 KIBPVJCNBTYWBE-JVPBZIDWSA-N 437.311 3.104 50 1 IGGF CCOc1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)cc1OCC 587670451 YXKWIULLIVPBGG-UHFFFAOYSA-N 444.491 3.454 50 1 IGGF Cc1nc(C)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962975792 YORXCIOVBBHXTE-ZBEGNZNMSA-N 435.652 3.460 50 1 IGGF O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 73195613 HEVFHDJXNJWPAP-GZIVZEMBSA-N 445.888 3.049 50 1 IGGF NNC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587179614 ZMXSDQGTBOIZCG-UHFFFAOYSA-N 446.170 3.457 50 1 IGGF Cc1ccc([C@H]2C(C#N)=C(N)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])c(F)c1 103210751 YQPHLJMPWMNNBM-SFHVURJKSA-N 440.866 3.237 50 1 IGGF CC(C)(C)c1nnc2sc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nn2c1=O 101961199 LHHYGDVTVSCQKY-RAXLEYEMSA-N 439.526 3.305 50 1 IGGF NC(=O)N/N=C/c1ccc(Oc2ccc(Oc3ccc(/C=N/NC(N)=O)cc3)cc2)cc1 27320594 IKMGWTSOQAOOLC-BKHCZYBLSA-N 432.440 3.276 50 1 IGGF N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1 13676743 NWKAYWGIPASXNG-OZNQKUEASA-N 444.491 3.015 50 1 IGGF C/C(=C/C=O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO 95919110 PRTVRCOTGRINLU-IQBUOIOOSA-N 448.556 3.071 50 1 IGGF biogenic,in-vitro N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 96284136 SNFKHRVLVZLFNJ-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccccc2N2CCOCC2)ccc1C(=O)O 219895330 VSPLOONPBLHREN-WGOQTCKBSA-N 446.507 3.393 50 1 IGGF Cc1cc([C@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)no1 962656424 APXZWZLHMNDHEF-PMACEKPBSA-N 430.302 3.268 50 1 IGGF O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 934383 GVSZOJURNPPDIH-LFVJCYFKSA-N 437.521 3.484 50 1 IGGF CN(C)CCSSCCC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 618008045 WZKSCVFZHCHVKL-UHFFFAOYSA-N 437.660 3.187 50 1 IGGF Cc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc(-c2cccc(B(O)O)c2)c1C 206974540 IEJCRWSMXCQSAZ-UHFFFAOYSA-N 442.368 3.129 50 1 IGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(NC(C)=O)nn1)CC2=O 587457225 WOZMHGFJRRBOEO-IBGZPJMESA-N 434.290 3.349 50 1 IGGF C/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Br)cc12 1857606759 DZZBDODYXXCDEG-JAIQZWGSSA-N 435.303 3.033 50 1 IGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 1857607813 ZVSIMUZDVJWQRZ-LSHDLFTRSA-N 444.831 3.435 50 1 IGGF C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(=O)C(C)=CC)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(=O)C(C)C 2356573933 GMTCNRGBCVJUIX-POPBZWCZSA-N 430.497 3.107 50 1 IGGF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@H](OC(=O)CCl)C(C)(C)O2 40881250 SDZYGNLQHKLDKQ-RTWAWAEBSA-N 431.872 3.055 50 1 IGGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4OC(=O)[C@@]2(Br)CBr 195301913 SPDKABPDDJUGRG-NEMKXHCISA-N 440.128 3.287 50 1 IGGF CNC(=S)SSC(=S)NCCCNC(=S)SSC(=S)OC 27190197 CAVOPJKCSJPZNV-UHFFFAOYSA-N 437.775 3.324 50 1 IGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CNc1cccc([N+](=O)[O-])c1 1857541378 NBVZLAXDADYREA-AUEPDCJTSA-N 443.847 3.468 50 1 IGGF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)CC[C@@H]1CCSS1 34642725 KVQJLHKHPWLRQD-CVEARBPZSA-N 440.612 3.352 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCO4)cc(Br)c1OC 1857771353 TUQSNPAMIRTBBJ-GOSISDBHSA-N 445.269 3.456 50 1 IGGF C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN 587746516 GNCGISAQXDTCCR-XAAFQQQXSA-N 436.325 3.143 50 1 IGGF COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 102118255 XKIJVMUIJIRYPS-QFIPXVFZSA-N 436.537 3.468 50 1 IGGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587050648 ZCZCTHBBGWGMNX-HJWRWDBZSA-N 440.891 3.210 50 1 IGGF CCOC(=O)[C@H](CCSC)NC(=O)Cc1ccc(N(CCCl)CCCl)cc1 44387144 QSRLNKCNOLVZIR-KRWDZBQOSA-N 435.417 3.314 50 1 IGGF COc1cc2c3c(c1)O[C@@](CBr)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587449678 QRZFCUVYHXDOFM-KXBFYZLASA-N 437.311 3.050 50 1 IGGF CN(C)CCSSCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 618009016 OTCMATSRTBLJOR-QGZVFWFLSA-N 427.636 3.182 50 1 IGGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc(-c3nnn[nH]3)cc2)c1 38145356 KUWLLMNYFJGNFS-YUIBMZAKSA-N 441.520 3.474 50 1 IGGF C[C@@H]1CC[C@H]2[C@](Br)(CBr)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101272595 SPDKABPDDJUGRG-NNPNGFRRSA-N 440.128 3.287 50 1 IGGF O=C(O)[C@@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892488 STMDILUWEZZLDN-YUMQZZPRSA-N 427.145 3.462 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@](CBr)([C@H]3COc4ccccc4O3)c3cccc1c32 963037980 ZCSZMKVLEBDHAE-GIWSNZPPSA-N 429.314 3.170 50 1 IGGF O=CC1=COc2c([N+](=O)[O-])cc(F)cc2[C@@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962573006 MGWXFUYIERTJDS-FXAWDEMLSA-N 430.775 3.104 50 1 IGGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1ccc(S(=O)(=O)NC2CCCC2)cc1 1857561843 YYXBTYMSFKYAHY-PTGBLXJZSA-N 447.944 3.347 50 1 IGGF CSc1sc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920063 LCPSWRWPHHYWIM-UHFFFAOYSA-N 444.991 3.452 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccccc2F)cc1 96284148 VCTJZINVZYTRTL-NRFANRHFSA-N 426.427 3.486 50 1 IGGF CC(C)[C@H](Cl)[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963705300 RBUDNWIBKMCILD-XSDIEEQYSA-N 430.932 3.023 50 1 IGGF O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(S(=O)(=O)NC2CCCC2)c1 1857590311 XXMKEXIXEOIOFH-PTGBLXJZSA-N 447.944 3.347 50 1 IGGF CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(OC)c(OC)c(OO)c3)c2C)C1=O 95590964 WMGWULHZNBQCMQ-RQZCQDPDSA-N 442.468 3.313 50 1 IGGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@]13OO2 100863587 ILYFDZSLAGLURK-QBAQHBBDSA-N 429.510 3.060 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCC4CCCC4)c32)cc([N+](=O)[O-])c1O 1857771054 IVLBXEVUQRABEZ-KRWDZBQOSA-N 425.445 3.373 50 1 IGGF Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c(C)cc1Br 13120096 FJYQPKIQKGWUKV-YRNVUSSQSA-N 425.304 3.129 50 3 IGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(C(N)=O)c1)CC2=O 587456987 UHEDNPAXZKXBKV-FQEVSTJZSA-N 434.286 3.405 50 1 IGGF N#CCC(=O)N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)cc1 102000174 JUVRKZPKNPXTRN-PMFZIYJTSA-N 430.251 3.110 50 1 IGGF C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN 587575476 BZZPZEZARYPIDQ-OSZRXVRWSA-N 434.448 3.026 50 1 IGGF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(SCc2ccccc2B(O)O)nc1 202739068 PXFGEOGWPQQGBH-UHFFFAOYSA-N 448.231 3.205 50 1 IGGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 618009119 SLPYUCAYTXFTNS-KRWDZBQOSA-N 448.658 3.090 50 1 IGGF CC1(C)OC2=C(C[C@@H]1Br)C(=O)/C(=N\NC(=O)c1ccncc1)c1ccccc12 1857568690 HEJWSLFRLBFGIH-JRATXJKFSA-N 440.297 3.472 50 1 IGGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@H](OCc3ccc4c(c3)OCO4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911584959 WFTPUSQKHLRERN-PBEXTUCQSA-N 434.485 3.255 50 1 IGGF COC(=O)[C@@H](CC(C)C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCl 61924412 WKABFRDITXGCLY-CQSZACIVSA-N 426.760 3.365 50 3 IGGF O=S1(=O)COC[C@H](COCc2ccc(-c3ccc(CBr)cc3)cc2)N1 58655495 LDCUYDOXJXDLPK-SFHVURJKSA-N 426.332 3.041 50 1 IGGF CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@@H]2N1)C(=O)c1ccc2ccccc2c1O 618012970 KTCZAIRHUKYGKR-BEKAIBRUSA-N 429.948 3.219 50 1 IGGF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](CC1CCCCC1)B(O)O 195463861 LMGKERQGSGEGTD-VXKWHMMOSA-N 440.324 3.154 50 1 IGGF COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCl)C(=O)N32)ccc1O 299825223 XOTTVBUGFYZCSA-OXJNMPFZSA-N 425.872 3.399 50 1 IGGF CC(C=CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@H](C)CC(C)=CC=O)=C[C@@H](CO)CCO 2356531126 PRTVRCOTGRINLU-YPHVFAKOSA-N 448.556 3.071 50 1 IGGF CC[C@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 169693204 LLEYTMCHSAVWTC-KLDCCODCSA-N 439.549 3.433 50 1 IGGF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(=O)N(CCCl)c2cc(Br)ccc21 962905318 DIWMUVJXLIDGDU-LJQANCHMSA-N 437.769 3.281 50 1 IGGF COc1ccc(C2=NO[C@@]3(C2)C(=O)O[C@@H]2O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]3[C@@]25OO4)cc1 473155122 PBGUZBIZRKPFTH-YPGVJPEBSA-N 429.469 3.331 50 1 IGGF CCN/C(SCC)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 1911585174 PBQCVYWDYFTCMK-KNTRCKAVSA-N 449.558 3.129 50 1 IGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448441 JBMMNOBKZMGUPH-KXBFYZLASA-N 437.311 3.137 50 1 IGGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O 587448604 KIBPVJCNBTYWBE-GDIGMMSISA-N 437.311 3.104 50 1 IGGF N#C/C=C1/c2ccccc2N=C(N2CCN(CCN3CCOC3=O)CC2)c2ccccc21 40433998 VZPRJJMNUBJHPF-AWQFTUOYSA-N 427.508 3.103 50 1 IGGF COc1ccc(/C=C(\C#N)Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1OC 98084842 IMOFFRSTLYOYJP-NTEUORMPSA-N 431.374 3.072 50 1 IGGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2cc3c(O)nc(O)nc3nc21 587365068 AQASHNNXEVGQLH-FQEVSTJZSA-N 433.295 3.367 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O 587449859 DRODQQGPFJCPGT-VPKVUBIPSA-N 449.956 3.355 50 1 IGGF O=CC1=COc2c([N+](=O)[O-])cc(F)cc2[C@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962573015 MGWXFUYIERTJDS-XLIONFOSSA-N 430.775 3.104 50 1 IGGF N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCBr)CCBr 95573136 GFVDXJLNPXHGQS-NRFANRHFSA-N 445.048 3.270 50 1 IGGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CCl)c1c[nH]c(C=O)c1 963154485 XWKQLVRKDBQMSJ-SCLBCKFNSA-N 425.894 3.013 50 1 IGGF CCCCC[C@H](C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)OC(CO)CO)OO 2356342688 CSMKZOGJSGGURC-MSEOUXRUSA-N 442.549 3.329 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)O2 587384467 DWKYDPLKXIDXAX-HSZRJFAPSA-N 445.922 3.484 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)O2 587410445 MTABMGOCPMSWFB-VFNWGFHPSA-N 436.961 3.455 50 1 IGGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C(C=O)[C@@H](C=O)[C@@]32C)cc1 2356625768 YWTPSTGVICXAEK-MXDNHJOGSA-N 426.509 3.378 50 1 IGGF CCO/C(O)=C1/C(C)=NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1 17519964 SIJWVVRIHUBHTJ-QUWSGOTNSA-N 430.482 3.479 50 1 IGGF CS(=O)(=O)c1ccc2[nH]c(CBr)c(N3C(=O)c4ccccc4C3=O)c2c1 587648696 JZEPHHAZHPDXDR-UHFFFAOYSA-N 433.283 3.267 50 1 IGGF CCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@@H](O)CCl)cc1[N+](=O)[O-] 6196560 DVGPCQZSISXALV-LBPRGKRZSA-N 430.870 3.147 50 3 IGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587687831 IOSQRMFGXQHCCN-ZVTRXGDXSA-N 436.705 3.051 50 1 IGGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)CCl)cc2)cc(Br)c1O 299867094 PVPGIWTVFMFAFF-AWQFTUOYSA-N 440.681 3.105 50 1 IGGF O=C(N/N=C\c1ccc(Cl)cc1)C1=NO[C@@H]2[C@H]1CCN2C(=O)c1ccc(Cl)cc1 1857585134 BTCKXBVYERZKIE-QSXANDFTSA-N 431.279 3.318 50 1 IGGF CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857654414 ZJUOEEXXNZKGCP-GOSISDBHSA-N 448.439 3.060 50 1 IGGF O=C(O[C@@H](Br)CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1 146535226 CTPTZCFMSXBWEB-QWHCGFSZSA-N 435.112 3.447 50 1 IGGF O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 15935194 IPLZBAKDTKRFAJ-NTCAYCPXSA-N 438.827 3.010 50 3 IGGF O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 199886921 GDGLETUAADYDCV-MSOLQXFVSA-N 427.848 3.235 50 1 IGGF COc1ccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(F)cc43)cc2)cc1 1857541624 YOITZJFVIZCDDE-UHFFFAOYSA-N 432.411 3.173 50 1 IGGF C#C[C@H](Br)[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@@H]2[C@H](C)O1 2356799138 UBDKCFIVYUAQMW-OIZXHPBQSA-N 442.575 3.246 50 1 IGGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 587030825 IYDHLHGGQANTGB-UQDQQJHMSA-N 428.543 3.293 50 1 IGGF CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2c(C)cccc2C)CC1)=C(/O)OCC 103351369 ZKKHNRUNRDAYSL-VRTGOQHQSA-N 426.517 3.222 50 1 IGGF CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)OC(CO)CO)OO 230570059 CSMKZOGJSGGURC-PKBBWAGBSA-N 442.549 3.329 50 1 IGGF in-vitro N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53229295 QCFPHRWEYJTIDI-XZOQPEGZSA-N 434.588 3.324 50 1 IGGF O=C1OC(=O)c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)ccc21 586906782 QZBXPFZQZCTJNJ-UHFFFAOYSA-N 425.569 3.194 50 1 IGGF C[C@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)OC1=O 587883734 VIKFJOLALFEUJK-JOCHJYFZSA-N 430.287 3.435 50 1 IGGF N#C/C(NCc1ccccn1)=C1\C(=O)c2ccccc2[C@]12c1ccsc1CCN2C(N)=O 962713997 QDSUVOCRGSCURH-UJAXXOLQSA-N 441.516 3.087 50 1 IGGF COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N/N=C/c2ccc(C)cc2)cc1 45338508 GNPMKVQSWMGGLO-LRULAXNGSA-N 431.492 3.201 50 1 IGGF NNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 587888348 LITWMDLXVVVUKV-UHFFFAOYSA-N 426.303 3.461 50 1 IGGF C=C(C#N)c1cc(C)c(Oc2cc(NCCn3ccc(O)nc3=O)nc(Cl)n2)c(C)c1 1772653807 AHXDTKMSCZAISD-UHFFFAOYSA-N 438.875 3.450 50 1 IGGF O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 100492701 RLQYCBJMJJEKGX-KWZIXMQQSA-N 436.306 3.120 50 1 IGGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1/C=C/c1ccccc1 49111951 FAHUMUFXJYJTGW-JNMQVBFRSA-N 446.532 3.185 50 1 IGGF C[C@@H]1CC[C@H]2[C@]3(C[C@@H]4c5ccccc5CCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 473150946 NRENIRQWPVAXLR-XJVITWRTSA-N 427.497 3.432 50 1 IGGF COc1ccc(-n2ncc(C(=O)NCCCSSCCN)c2C(F)(F)F)cc1 618007912 UQGUAUQIPDAORJ-UHFFFAOYSA-N 434.509 3.360 50 1 IGGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc(C3CC3)c2)CC1 618008291 DOXGCYFMVYMZSY-UHFFFAOYSA-N 435.659 3.475 50 1 IGGF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2C[C@H](Cl)C3=C(COC3=O)[C@@]21C)C(C)C 2356719642 DCQKNTFSXKCQSC-YVJCIAGASA-N 425.953 3.366 50 1 IGGF O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100492706 RLQYCBJMJJEKGX-PQDVVEQOSA-N 436.306 3.120 50 3 IGGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccccc1O 103248309 KNXLPXXSCLARLQ-WGOQTCKBSA-N 437.931 3.256 50 1 IGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587745762 GNCGISAQXDTCCR-FKANQGBASA-N 436.325 3.143 50 1 IGGF COc1ccc2cc(C(=O)NC(=S)NNC(=O)COc3ccc(C(C)C)cc3)[nH]c2c1 1857757152 VGSIYGBGHXECTA-UHFFFAOYSA-N 440.525 3.014 50 1 IGGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccc3c(c2)OCO3)N1 963229327 KBZAFQUFFAGDBC-DYESRHJHSA-N 441.281 3.201 50 1 IGGF Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CCCC(=O)C3)cc2)cc1 101273685 MMJXKKNFFNHPHG-FCDQGJHFSA-N 427.526 3.045 50 3 IGGF O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 44387181 FHVCUDOQNNJRIT-YFJYBRFJSA-N 440.327 3.392 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587687035 YNEKCNZZJIYGPY-XTZNXHDOSA-N 445.716 3.328 50 1 IGGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 618008150 SKVZTHBNVNRALL-KRWDZBQOSA-N 448.658 3.008 50 1 IGGF Cc1ccc(C(=O)N/N=C\c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1 8672453 MTETVISGWMJLPC-YVNNLAQVSA-N 429.885 3.382 50 1 IGGF C/C(=C\[C@H](O)[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C[C@H]3[C@H](C(=O)C[C@H]3C)C(C=O)=CC[C@H]12)C(=O)O 1857574986 DYZGNTKPQSUVNB-OAMFHPBPSA-N 432.557 3.168 50 1 IGGF O=C(O)[C@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586892485 STMDILUWEZZLDN-JGVFFNPUSA-N 427.145 3.462 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2F)c1 96284131 HZPMGRIYEOEWAF-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2C[C@H]1S(=O)(=O)c1ccccc1 205703431 SLWOOBALFSOVFC-SFFUCWETSA-N 426.607 3.180 50 3 IGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc3c(c2)OCCN3C)ccc1C(=O)O 219904190 VGRVZZAALJDGAW-AFUMVMLFSA-N 432.480 3.385 50 1 IGGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)n[nH]1 84705166 BKIAHOHWCYRVEL-IAGOWNOFSA-N 446.250 3.474 50 1 IGGF N#C/C=C1\NC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 587884539 OFAWOYGBXKTIEM-GXHLCREISA-N 425.275 3.224 50 1 IGGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CCl)c1c[nH]c(C=O)c1 963154493 XWKQLVRKDBQMSJ-UGSOOPFHSA-N 425.894 3.013 50 1 IGGF COc1ccc2c(c1)CCc1c(-c3ccc(OCCCCCC(=O)NN)cc3)nc(N)nc1-2 96935155 LOQHWUSEIHJYSE-UHFFFAOYSA-N 447.539 3.429 50 1 IGGF COc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)N2 299865261 TVNJXFLGLUFWNR-UHFFFAOYSA-N 428.448 3.342 50 1 IGGF COC(=O)c1ccc(Oc2ccc3nc(CCNC(=O)CBr)[nH]c3c2)cc1 586971334 QHYJOXNAYCOFEK-UHFFFAOYSA-N 432.274 3.195 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2F)cc1 96284149 VCTJZINVZYTRTL-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587748545 XOQBXAPJRFZJSF-WVDJIFEKSA-N 433.277 3.136 50 1 IGGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587451672 ZIPOQYQIMKIAPU-VGOFRKELSA-N 447.940 3.289 50 1 IGGF COC(=S)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195484210 ZNDKKCUUVXIWFC-YNEHKIRRSA-N 439.614 3.034 50 1 IGGF CS(=O)(=O)NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 115920952 SGBMDPNLMADWOL-UHFFFAOYSA-O 440.525 3.227 50 1 IGGF COc1cc(C(=O)N/N=C/c2cccc(-c3cccc(C(=O)O)c3)n2)cc(OC)c1OC 473084032 PZMQNXBUXJCIQO-ZMOGYAJESA-N 435.436 3.237 50 1 IGGF CCCCNS(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)cc1 1857574031 NXJSRVBHSFKPIC-HAVVHWLPSA-N 435.933 3.204 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]1C(=C)C=O 2356498522 BLOLONQBMLUSIP-ZJHMPDFNSA-N 442.508 3.417 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(F)cc1C(F)(F)F 618007818 JNDYZYBYNSSZTK-ZDUSSCGKSA-N 428.473 3.059 50 1 IGGF CN(C)CCSSCCCNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 618009402 XKXFQYWVUSNQMX-GOSISDBHSA-N 425.620 3.237 50 1 IGGF O=C(O)c1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963235719 RRNGFGZACNYNQJ-NQIIRXRSSA-N 441.281 3.170 50 1 IGGF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCSSCCC(=O)NN 587863649 OYXPBLCZOZCTTB-UHFFFAOYSA-N 448.492 3.369 50 1 IGGF COc1ccc(OC)c(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 33406682 CGMJVWVPTZVBHZ-BKUYFWCQSA-N 445.522 3.330 50 1 IGGF N#C/C(=C\c1cccc(O)c1)C(=O)NCCCCCNC(=O)/C(C#N)=C/c1cccc(O)c1 13676741 VHOSHCJBZMMWQA-ZIOPAAQOSA-N 444.491 3.015 50 1 IGGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587748540 XOQBXAPJRFZJSF-FVINQWEUSA-N 433.277 3.136 50 1 IGGF N[C@H](CCl)NCCC[C@@H]1NC(=O)N(Cc2cccc(-c3ccccc3Cl)c2)[C@H]1O 914431336 TXEBWPPWSVMYOA-UFYCRDLUSA-N 437.371 3.113 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587687036 YNEKCNZZJIYGPY-YPMLDQLKSA-N 445.716 3.328 50 1 IGGF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(=O)N(CCCl)c2cc(Br)ccc21 962905297 DIWMUVJXLIDGDU-IBGZPJMESA-N 437.769 3.281 50 1 IGGF CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)Nc1ccccc12 53297255 OHPGCWDRTRNUQK-XMMPIXPASA-N 426.432 3.056 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCC4CCCC4)c32)cc([N+](=O)[O-])c1O 1857771055 IVLBXEVUQRABEZ-QGZVFWFLSA-N 425.445 3.373 50 1 IGGF CCOc1cc2oc(=O)c(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2cc1Br 586998549 LAIKISWJKNICKC-UHFFFAOYSA-N 443.257 3.101 50 1 IGGF CC1(C)OC2=C(C[C@H]1Br)C(=O)/C(=N\NC(=O)c1ccncc1)c1ccccc12 1857568691 HEJWSLFRLBFGIH-KZTSJITJSA-N 440.297 3.472 50 1 IGGF O=C(OCCBr)N(C(=O)OCCBr)c1onc2c1CCC2 28354090 YNBXZNVFJSYESA-UHFFFAOYSA-N 426.061 3.033 50 1 IGGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(Cl)c(Cl)c1 71295508 UWICDCCGOFZOID-AWQFTUOYSA-N 426.281 3.052 50 1 IGGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccccn1 28230994 SEWOVAJOTSGBJJ-OPEKNORGSA-N 431.327 3.355 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCN1C(=O)c3ccccc3C1=O)O2 587370991 CXLHMWWEHRPLTM-NRFANRHFSA-N 443.297 3.362 50 1 IGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587689761 VSTDSPPEECIDNP-ZVTRXGDXSA-N 436.705 3.051 50 1 IGGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730250 MKXDBXNJQURPKR-OPYAIIAOSA-N 449.860 3.223 50 1 IGGF COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCl)C(=O)N32)ccc1O 299841046 XOTTVBUGFYZCSA-OXQOHEQNSA-N 425.872 3.399 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)C1(c2ccc(F)cc2)CCCC1 618007941 NXPBICSUJRICSM-KRWDZBQOSA-N 428.595 3.238 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)O2 587410443 MTABMGOCPMSWFB-BTYIYWSLSA-N 436.961 3.455 50 1 IGGF Cc1ccc(S(=O)(=O)C[C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409226 QUCAMJLTFYFEQH-LJQANCHMSA-N 438.343 3.458 50 1 IGGF COc1ccc(NC(=S)NNC(=O)Cn2c(-c3ccncc3)nc3ccccc32)cc1 29123807 ZACMBAFCGDFAID-UHFFFAOYSA-N 432.509 3.125 50 1 IGGF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](O)[C@](C)(CCl)O4 13436941 NNJJOCIRDTYCJY-NVJIOZQYSA-N 446.883 3.117 50 1 IGGF biogenic Cc1ccc2c(c1)cc([C@@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 299827469 FXIJTKOHALGCSK-JOCHJYFZSA-N 448.490 3.286 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)O2 587384468 DWKYDPLKXIDXAX-QHCPKHFHSA-N 445.922 3.484 50 1 IGGF N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730247 MKXDBXNJQURPKR-LQWHRVPQSA-N 449.860 3.223 50 1 IGGF CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 166168426 OMJNSVVPACCGQN-PMKSJIGOSA-N 443.135 3.368 50 1 IGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687830 IOSQRMFGXQHCCN-UNLTUULFSA-N 436.705 3.051 50 1 IGGF CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 53298065 ABQXGPYKRSZPME-RUZDIDTESA-N 440.459 3.081 50 1 IGGF COc1cc(O)cc(OC)c1/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 95808756 XAKYDEPSRUPFRU-OEAKJJBVSA-N 429.473 3.154 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587683207 FTIAPKYLHNUGMT-XTZNXHDOSA-N 445.716 3.328 50 1 IGGF O=C(CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1)N/N=C/c1ccc(O)cc1 103248310 PFTIJKBUUQEKQW-WGOQTCKBSA-N 437.931 3.256 50 1 IGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 95808602 QRQVDKXCFNLALA-HYARGMPZSA-N 428.445 3.435 50 1 IGGF CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=O)N1CCc2cc(C(=O)O)ccc21 64528138 QEALRNYJQFKVHJ-QNGOZBTKSA-N 447.495 3.275 50 1 IGGF Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]3CC(=O)SS3)O2)c(=O)[nH]c1=O 195196542 LTOPNGYHNYFPTH-JLNYLFASSA-N 444.651 3.203 50 1 IGGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433270 PRLJTUBIUKQZBE-MAYOSHEUSA-N 444.487 3.144 50 1 IGGF O=C(O)c1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963235721 RRNGFGZACNYNQJ-WIYYLYMNSA-N 441.281 3.170 50 1 IGGF CNC(=S)NNC(=O)Cn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc21 29124534 UPSVRVJKTSNKMV-UHFFFAOYSA-N 445.548 3.407 50 1 IGGF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2C[C@@H](Cl)C3=C(COC3=O)[C@]21C)C(C)C 2356719640 DCQKNTFSXKCQSC-JYBRYBCISA-N 425.953 3.366 50 1 IGGF CC[C@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](CC)CO 29473012 YYWTYTCHSRLVJN-HZPDHXFCSA-N 448.610 3.487 50 1 IGGF C/C(=N\NC(=O)c1sc2c(c1N)CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 66100469 YRAGELLYQYPIQX-OEAKJJBVSA-N 446.598 3.148 50 1 IGGF O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCN1C[C@@H](Br)C1=O 84462234 QMPFEAUKNJUGHJ-WBVHZDCISA-N 430.346 3.360 50 1 IGGF COc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 55805355 ABEKJLRNVMRDFB-JOCHJYFZSA-N 436.537 3.067 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 96284121 LGOPJGYLAQMZHO-NRFANRHFSA-N 426.427 3.486 50 1 IGGF C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(=O)[C@H](C)CC 238772367 IUPREMZEHGJOAD-PGAPXWEDSA-N 444.524 3.497 50 1 IGGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(N)=O 587325416 FBUQDVGRDQKNDE-DENIHFKCSA-N 428.847 3.462 50 1 IGGF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747946 SXJPFKOUFNFHBI-CFMSYZGJSA-N 433.277 3.136 50 1 IGGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962934988 XADUZOPRVXSDNK-UWJYYQICSA-N 435.977 3.080 50 1 IGGF Cc1ccc(C2=NN(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 1857650216 NQACXMPXNCFFCW-RIDKEVFESA-N 435.362 3.308 50 1 IGGF Cc1cc2c(cc1C)[n+](=O)c1cc(/C=N/NC(=O)NCCc3ccccc3)ccc1n2O 27300268 LAJDSYABQKWYQY-CVKSISIWSA-O 430.488 3.439 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(F)c2)cc1 96284142 BLYJSOPJRQBBBI-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF O=C(NNC1=NCCN1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772606352 ZRNIHELHBASQKT-PKNBQFBNSA-N 438.495 3.066 50 1 IGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)NC(=O)[C@H](C)O4)[C@@H](C2)C3=O 587413285 MKQDFTUEWWDSQW-ZFDMUXSDSA-N 444.281 3.452 50 1 IGGF COc1cc2c3c(c1)O[C@@]1(c4cc(C#N)c(O)nc4CC[C@H]1Br)[C@@H](C2)C3=O 587416848 FPZVJPVEBWOOHY-OWZDWXTDSA-N 427.254 3.020 50 1 IGGF Cc1ccsc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CSSCCN(C)C 618016825 BNGYNVRBIBZFKS-CVEARBPZSA-N 429.677 3.243 50 1 IGGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCC(F)(F)F 618017454 LASNTCXXASLLEK-KGLIPLIRSA-N 429.574 3.015 50 1 IGGF CCCCCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O 238767620 KOJDHHJUQBZUHA-BWEFZSDTSA-N 427.969 3.143 50 1 IGGF COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963035059 WESUCBRARSVQSS-ZAMGYDSWSA-N 438.915 3.096 50 1 IGGF Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccncc1)c1ccc(Br)cc1 103283914 KHNKXWKPVCUSKW-JWGURIENSA-N 443.261 3.092 50 1 IGGF CN(C)CCSSCCCNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 618012522 MCCKTUNXSTTXOB-UHFFFAOYSA-N 426.604 3.260 50 1 IGGF Cc1ccc2c(c1)N=C(N1CCN(CCN3CCOC3=O)CC1)c1ccccc1/C2=C\C#N 40676491 AZCXRLPTKNCCOL-ODCIPOBUSA-N 441.535 3.412 50 1 IGGF CCOC(=O)c1[nH]c2ccccc2c1CN(NC(=O)c1ccncc1)C(=O)c1ccncc1 653762932 GKJUJAMDDRUSDR-UHFFFAOYSA-N 443.463 3.122 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356643137 IUPREMZEHGJOAD-BABUPHDESA-N 444.524 3.497 50 1 IGGF CC(C)(C(=O)NCc1ccc(-n2cccn2)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147606283 LOOPUOAUZYRCHU-HQYXKAPLSA-N 434.521 3.277 50 1 IGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587685852 RVAMFCJSAHCOMO-NSPYISDASA-N 441.728 3.469 50 1 IGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2ccc3c(c2)OC(F)(F)O3)N1 962916866 XKUZPNPSXFAZNN-YVEFUNNKSA-N 444.203 3.385 50 1 IGGF Cc1cc([C@@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)no1 962656439 APXZWZLHMNDHEF-WOJBJXKFSA-N 430.302 3.268 50 1 IGGF O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285273 KJALSVFTRLSJQE-UHFFFAOYSA-N 436.493 3.336 50 1 IGGF COc1cccc(/C=N\NC(=O)c2c(C)[nH]c(C(=O)N/N=C/c3cccc(OC)c3)c2C)c1 61695528 MYJYHWXNINGPAF-KGRJIBJCSA-N 447.495 3.177 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587683210 FTIAPKYLHNUGMT-YPMLDQLKSA-N 445.716 3.328 50 1 IGGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730236 MKXDBXNJQURPKR-DBXWQHBBSA-N 449.860 3.223 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)O2 587410444 MTABMGOCPMSWFB-QVKFZJNVSA-N 436.961 3.455 50 1 IGGF CS(=O)(=O)c1ccc(NC(=O)NNC(=S)Nc2cccc(Cl)c2Cl)cc1 1857634225 QTTKGGBNEZERBI-UHFFFAOYSA-N 433.342 3.420 50 1 IGGF C=CCN1C(=O)CS/C1=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1857546792 FRISMVRCDNGQRK-WJTDDFOZSA-N 447.520 3.310 50 1 IGGF C[C@H](CO)NC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829577 HOHJGPDAAXLSLJ-KXMWUTRISA-N 448.503 3.380 50 1 IGGF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)CC[C@@H]1CCSS1 34642724 KVQJLHKHPWLRQD-HZPDHXFCSA-N 440.612 3.352 50 1 IGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1OCCO 95808479 DZHZNWZFSPBJQF-JJIBRWJFSA-N 427.501 3.193 50 1 IGGF CC(=O)O/C=C1\CCC/C(C=O)=C/C[C@H]2C(C(=O)/C=C\C(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 238783317 PGYCRIBVSDGTRT-KPSMRCKMSA-N 446.496 3.065 50 1 IGGF O=C(NN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 13123143 VBDANWUZLHAQRD-UHFFFAOYSA-N 429.885 3.116 50 3 IGGF Cc1cc2c(cc1O)[C@](c1ccc(F)cc1)([C@@H](Cl)C(=O)C(F)(F)F)N[C@H](C(=O)O)C2 963506017 DOEPICYHRBSCEL-URLQWDBASA-N 445.796 3.421 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 96284120 LGOPJGYLAQMZHO-OAQYLSRUSA-N 426.427 3.486 50 1 IGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCCN3CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84712978 FHIVRXSJEZWVED-SCZRFXQLSA-N 438.609 3.287 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356498514 BLOLONQBMLUSIP-DQBUSCJJSA-N 442.508 3.417 50 1 IGGF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(=O)NN)cc4[nH]3)cc2)cc1F 587147452 NVPHWZRAEIUYLT-UHFFFAOYSA-N 431.471 3.313 50 1 IGGF N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53229292 QCFPHRWEYJTIDI-PKTZIBPZSA-N 434.588 3.324 50 1 IGGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)C=CC(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 2356642647 PGYCRIBVSDGTRT-OIBXWCBGSA-N 446.496 3.065 50 1 IGGF CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc(Cl)c1OC 84671875 VVJUSDVAPWCZKN-AOOMUMSASA-N 434.876 3.356 50 1 IGGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 618008333 YLEQAVSKHUFXFO-UHFFFAOYSA-N 448.658 3.008 50 1 IGGF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCSSCCN(C)C 618012544 OGXXVCVJXHYVFV-SFHVURJKSA-N 427.636 3.387 50 1 IGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587685854 RVAMFCJSAHCOMO-WYRIXSBYSA-N 441.728 3.469 50 1 IGGF CC(C)(C)OC(=O)N[C@H](C(=O)/C(C#N)=C(\O)c1ccccc1)C(=O)[C@@H](N)Cc1ccccc1 101175045 GQURVBSLXXOCAS-YZSJRQJUSA-N 449.507 3.081 50 1 IGGF CC(C)[C@@H](Cl)[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963705296 RBUDNWIBKMCILD-BURNTYAHSA-N 430.932 3.023 50 1 IGGF C/C(=N\NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)C(C)C)c1 673360 ZGJQAFGKRWHFHL-ZVHZXABRSA-N 438.444 3.181 50 3 IGGF C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(=O)O 26161334 WOFAABWEQYFPBT-JOXOIDLHSA-N 445.385 3.279 50 1 IGGF CCN(CC)c1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)c(O)c1 587664243 CXEOYLYMZZOFKZ-UHFFFAOYSA-N 443.507 3.208 50 1 IGGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 95599678 XNWGMKSCKXPBKH-JOCHJYFZSA-N 434.471 3.017 50 3 IGGF COc1ccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)cc1OC 653871493 BOUGUORPGNTYKT-ROMGYVFFSA-N 430.464 3.185 50 1 IGGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccc3c(c2)OCO3)N1 963229333 KBZAFQUFFAGDBC-UTKZUKDTSA-N 441.281 3.201 50 1 IGGF N[C@H](CCl)NCCC[C@H]1NC(=O)N(Cc2cccc(-c3ccccc3Cl)c2)[C@H]1O 914431333 TXEBWPPWSVMYOA-AABGKKOBSA-N 437.371 3.113 50 1 IGGF O=C(O)CCCCCC(=O)N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 95809349 UGBLIHYITPZLSH-HZHRSRAPSA-N 441.509 3.364 50 1 IGGF C/C(=C\[C@]1(C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1)NNC(=O)CC#N 962695118 CZYZRJMZPRKEFD-VGBYHEHXSA-N 442.482 3.385 50 1 IGGF COC(=O)[C@H](Cl)[C@]1(C(C)(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963141039 JGNGIHKUNLVXGF-UYSIFFEZSA-N 446.953 3.411 50 1 IGGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@@]13OO2 43328132 ILYFDZSLAGLURK-VSRNGJBKSA-N 429.510 3.060 50 1 IGGF CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccnc(CCl)n2)c1OCC 587941360 UBWKDJLACBOEOT-UHFFFAOYSA-N 439.896 3.086 50 1 IGGF O=C(NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1)c1ccc(F)c(Cl)c1 1857596317 LTNAAYHXSGMNBR-UHFFFAOYSA-N 425.847 3.484 50 1 IGGF C[C@@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 40409626 SVTWGRLAWAGANE-SNVBAGLBSA-N 434.246 3.099 50 1 IGGF Nc1nccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587323923 UUKXOODQRHLSQS-FXAWDEMLSA-N 444.260 3.553 50 1 IGGF CC(C)(CCl)[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963683576 BMIJEMAVTIAFGQ-UFYCRDLUSA-N 430.932 3.025 50 1 IGGF CC1=C(Br)[C@@](Br)(C(Br)Br)OC1=O 29038921 XTZDEVRWJAGAPP-LURJTMIESA-N 427.712 3.419 50 1 IGGF CC(=O)O[C@@H](O/C(C)=N/NC(=O)c1cc(/C=C\c2ccco2)on1)c1ccc([N+](=O)[O-])o1 49067149 BSRLYUOMOAPYCG-OIWVXFJSSA-N 444.356 3.281 50 1 IGGF COc1ccc2c(c1)CCc1c(-c3ccc(OCCCCC(=O)NN)cc3)nc(N)nc1-2 96935154 PAEYRUAPLGXYIJ-UHFFFAOYSA-N 433.512 3.039 50 1 IGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)NC(=O)[C@@H](C)O4)[C@@H](C2)C3=O 587413283 MKQDFTUEWWDSQW-JTWCOAEXSA-N 444.281 3.452 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)O2 587410343 QWQDDALWRIYBNA-ASSNKEHSSA-N 434.945 3.387 50 1 IGGF COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1OC 1959951 NTXCSKFSZCANDH-CIAFOILYSA-N 434.290 3.335 50 1 IGGF O=C(NNC(=S)NC1CCCCC1)c1csc(NC(=S)NC2CCCCC2)n1 5822448 ZDIZCNVVSWLBPD-UHFFFAOYSA-N 440.664 3.204 50 1 IGGF O=C(N/N=C/c1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 1857750004 KDYKHFSGKJBFGW-BUVRLJJBSA-N 433.489 3.268 50 1 IGGF C[C@@H]1CC(C)(C)N[C@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 14243563 YYEKMGVVCOWLPF-RSJDLPBQSA-N 446.356 3.116 50 1 IGGF N[C@H](CCl)NCCC[C@H]1NC(=O)N(Cc2cccc(-c3ccccc3Cl)c2)[C@@H]1O 914431334 TXEBWPPWSVMYOA-HSALFYBXSA-N 437.371 3.113 50 1 IGGF CCOc1ccc([C@@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)c(B(O)O)c1 963304805 VQNJKWRTFJFFEJ-RUZDIDTESA-N 435.304 3.061 50 1 IGGF CC(C=CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)CC(C)=CC=O)=C[C@H](CO)CCO 2356531125 PRTVRCOTGRINLU-VUTAGKHMSA-N 448.556 3.071 50 1 IGGF C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN 587575475 BZZPZEZARYPIDQ-KVGGTASHSA-N 434.448 3.026 50 1 IGGF Cc1cc2c(cc1O)[C@@](c1ccc(F)cc1)([C@H](Cl)C(=O)C(F)(F)F)N[C@H](C(=O)O)C2 963506014 DOEPICYHRBSCEL-GMBSWORKSA-N 445.796 3.421 50 1 IGGF O=C(O)CCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 95809744 HOMMGLDHSOWELE-CAOOACKPSA-N 436.100 3.402 50 1 IGGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587448324 IFEAZHISIRKMGL-HNAYVOBHSA-N 437.311 3.137 50 1 IGGF OB(O)c1ccc([C@]2(C3CCCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706720 OHLRBNBKDDDWLF-HYBUGGRVSA-N 425.378 3.303 50 1 IGGF O=C(CBr)NCCc1nc2cc(Br)c(Br)cc2[nH]1 586970961 JBMJVIOLKYBMEV-UHFFFAOYSA-N 439.933 3.142 50 1 IGGF CC[C@H](O)[C@](C)(O)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356703105 MBEVYGYNDJZZPR-DLRXVWRPSA-N 430.661 3.082 50 1 IGGF CCOC(=O)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)s1 13588748 JRPRSLMUNPTKQX-UHFFFAOYSA-N 425.470 3.124 50 1 IGGF CC(C)CN(NC(=O)c1ccc(-n2ccnc2)cc1)c1nc(C#N)ncc1Br 66252435 PINLWANLTHGKFQ-UHFFFAOYSA-N 440.305 3.104 50 1 IGGF NC(=O)c1coc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963176115 CGMJVBCVVYOYSB-QFYYESIMSA-N 437.201 3.132 50 1 IGGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C(C=O)[C@H](C=O)[C@]32C)cc1 2356625770 YWTPSTGVICXAEK-SRVLBJBBSA-N 426.509 3.378 50 1 IGGF Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)oc2cccnc12 58541956 WALZMRSBRDGVRD-UHFFFAOYSA-N 429.278 3.368 50 1 IGGF CCS(=O)(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009537 KGZTVYJWZDIQDQ-IBGZPJMESA-N 444.944 3.477 50 1 IGGF CO[C@]12C(C=O)=C[C@]3(O)CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O 238757464 PGGOWMFHACXLSM-NUXVFQDLSA-N 430.497 3.033 50 1 IGGF O=C([C@H]1Cc2ccccc2[C@](CBr)(c2ccc(O)c(O)c2)N1)C(F)(F)F 962732078 WKYUCQBPWJRVGD-DYVFJYSZSA-N 430.220 3.382 50 1 IGGF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2C[C@H](Cl)C3=C(COC3=O)[C@]21C)C(C)C 2356719641 DCQKNTFSXKCQSC-QPOXQSEXSA-N 425.953 3.366 50 1 IGGF CNc1ccc(N(CCI)CCI)cc1 29412132 SXKWICWVQUDGLT-UHFFFAOYSA-N 430.071 3.405 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@@](CBr)([C@@H]3COc4ccccc4O3)c3cccc1c32 963037982 ZCSZMKVLEBDHAE-LZHZSBQWSA-N 429.314 3.170 50 1 IGGF O=C(N/N=C/c1cccs1)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccccc1 1772611020 BTUHYJYUTCCZTA-ZVHZXABRSA-N 440.488 3.397 50 1 IGGF O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCN1C[C@H](Br)C1=O 84462235 QMPFEAUKNJUGHJ-DOTOQJQBSA-N 430.346 3.360 50 1 IGGF NC(=O)COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544577 OMGQYSNFAQYNJV-REWPJTCUSA-N 439.851 3.352 50 1 IGGF O=C(O)c1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963235720 RRNGFGZACNYNQJ-RXVVDRJESA-N 441.281 3.170 50 1 IGGF O=C(O)c1ccc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 33408138 PSPVLGNJHZWICS-NDENLUEZSA-N 429.479 3.011 50 1 IGGF C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN 587575474 BZZPZEZARYPIDQ-FDORUFNTSA-N 434.448 3.026 50 1 IGGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)C=CC(C)(C)O)=CO[C@H](OC(C)=O)[C@H]12 2356642649 PGYCRIBVSDGTRT-UEVCKROQSA-N 446.496 3.065 50 1 IGGF CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857581318 CASNVWPDSVEFFG-OQKWZONESA-N 435.933 3.156 50 1 IGGF COC(=O)[C@H](Cl)[C@]1(C(C)(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963141035 JGNGIHKUNLVXGF-SYTFOFBDSA-N 446.953 3.411 50 1 IGGF COc1ccc(/C=N/NC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 1772658170 WWUDUOSUPMOYBI-ZDXRRBIGSA-N 444.491 3.421 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1F 618007570 ALEIBYVMEWDDTP-ZDUSSCGKSA-N 428.473 3.059 50 1 IGGF CO[C@H]1[C@@H](OC(=O)/C=C/[C@H]2O[C@H]2C)CC[C@@](O)(CCl)[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C 1772606461 HVVQOFBOWDNQCO-PITPYVCUSA-N 428.953 3.150 50 1 IGGF COc1cc(C=C(C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O 2356711602 HSRMHXWCTRFVHK-UHFFFAOYSA-N 437.189 3.206 50 1 IGGF COc1cccc(/C=N\NC(=O)c2[nH]c(C)c(C(=O)N/N=C\c3cccc(OC)c3)c2C)c1 61695527 MYJYHWXNINGPAF-WFBNZKAHSA-N 447.495 3.177 50 1 IGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587687828 IOSQRMFGXQHCCN-PWVDTXNTSA-N 436.705 3.051 50 1 IGGF Cc1c(C)c2ccc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)cc2oc1=O 95574578 NJAKMIAVABQRLK-UHFFFAOYSA-N 431.901 3.460 50 1 IGGF CC(C)COc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586970749 FTEUVKSDGMJLGR-UHFFFAOYSA-N 433.144 3.414 50 1 IGGF COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(O)c1C2=O 26672798 CDQRLXRGVCQHIN-UHFFFAOYSA-N 438.307 3.464 50 1 IGGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962934985 XADUZOPRVXSDNK-LAUBAEHRSA-N 435.977 3.080 50 1 IGGF NNC(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587059610 WZARUYYWCDZUJC-UHFFFAOYSA-N 428.279 3.350 50 1 IGGF CCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@H](O)CCl)cc1[N+](=O)[O-] 6196557 DVGPCQZSISXALV-GFCCVEGCSA-N 430.870 3.147 50 3 IGGF CCN(CC)[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 26168437 GWSJHOWENWEAOU-SANMLTNESA-N 435.285 3.075 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]1C(=C)C=O 2356643140 IUPREMZEHGJOAD-ZACFVOIDSA-N 444.524 3.497 50 1 IGGF N#CCC(=O)N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)cc1 102000176 JUVRKZPKNPXTRN-CVLFLDGLSA-N 430.251 3.110 50 1 IGGF CN(C)CC(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1 103292694 MQHUDNOSWRYNOO-UHFFFAOYSA-N 445.653 3.408 50 1 IGGF CCc1cc(Nc2cc(=O)n(CCCCI)c(=O)[nH]2)ccc1C 13522406 BUYPPNJUNDITNW-UHFFFAOYSA-N 427.286 3.366 50 1 IGGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(Br)ccc2O)CC1 49757289 ORPVSFVMKFPOEX-UHFFFAOYSA-N 436.262 3.380 50 1 IGGF C/C(=C\[C@]1(C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1)NNC(=O)CC#N 962695119 CZYZRJMZPRKEFD-ZAZFOYBVSA-N 442.482 3.385 50 1 IGGF N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 170188920 LISJXDSGLWWOAV-FTRWYGJKSA-N 443.180 3.162 50 1 IGGF C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN 587751848 ZDOQMLHMKBRKTG-JGRMJRGVSA-N 436.325 3.143 50 1 IGGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)CCc1ccccc1 618017833 QPKRJFZXLDZILE-QUCCMNQESA-N 437.675 3.258 50 1 IGGF CCOC(=O)C(C#N)=C(N)c1cc2cc(Br)cc(Br)c2oc1=O 2356316359 APKAFCIDAOIJQY-UHFFFAOYSA-N 442.063 3.074 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)O2 587410389 SCRRVKYIUPCZOU-OAQYLSRUSA-N 434.945 3.389 50 1 IGGF C/C(=N/NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1 33400126 XDTQBIRDEBDPMT-LTUVPZFZSA-N 429.436 3.301 50 1 IGGF CCCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 299870033 VSZYDZXWAHKIMI-UHFFFAOYSA-N 444.944 3.138 50 1 IGGF C/C(=N/NC(=O)[C@@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 299871931 ZMOTVEHZYMSNLT-OJSPLJLUSA-N 446.579 3.033 50 1 IGGF CC[C@@H](O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](O)CC 29483595 BOIPNRZERHMMCS-HZPDHXFCSA-N 448.610 3.487 50 1 IGGF COc1ccc(OC(C)=O)c(/C=N\NC(=O)[C@@H](C)Oc2ccccc2Br)c1 71405091 YSZIXRNSEKDEML-UORWWSPDSA-N 435.274 3.301 50 1 IGGF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)N/N=C/c1ccccc1 653887493 ICOGXIJBURAPLY-WGOQTCKBSA-N 443.532 3.277 50 1 IGGF CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CBr)C(=O)Nc1ccccc1 1772613233 MQGBSGNYVRYBEQ-HNNXBMFYSA-N 442.354 3.200 50 1 IGGF N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 170188921 LISJXDSGLWWOAV-CIUFUOKISA-N 443.180 3.162 50 1 IGGF C/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1 299859519 IBLIJNULMVZBHH-WPWMEQJKSA-N 426.476 3.233 50 1 IGGF CC(C)c1ccc(OCC(=O)NN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587878479 GWVRYYMBNMSKDX-UHFFFAOYSA-N 448.350 3.196 50 1 IGGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12C(C=O)=COc1cc(F)ccc12 963136841 GWXOATFIQZOWKQ-YCRPNKLZSA-N 446.456 3.247 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356643139 IUPREMZEHGJOAD-IHRCDZAMSA-N 444.524 3.497 50 1 IGGF CO[C@@H]1[C@H](OC(=O)C=C[C@@H]2O[C@@H]2C)CC[C@](O)(CCl)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 2356638518 HVVQOFBOWDNQCO-PFSPBUTNSA-N 428.953 3.150 50 1 IGGF CC1=C(Br)[C@](Br)(C(Br)Br)OC1=O 29038923 XTZDEVRWJAGAPP-ZCFIWIBFSA-N 427.712 3.419 50 1 IGGF N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53229289 QCFPHRWEYJTIDI-DHIUTWEWSA-N 434.588 3.324 50 1 IGGF COC(=O)c1cc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O 587414651 OBAAGHJIZMRMGA-JLTOFOAXSA-N 433.254 3.225 50 1 IGGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2cc(C)nn2C(N)=C1C#N 82053109 HCKLXWRVOFTRSP-LBPRGKRZSA-N 429.286 3.428 50 1 IGGF CC[C@@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@@H](CC)CO 29472999 YYWTYTCHSRLVJN-HOTGVXAUSA-N 448.610 3.487 50 1 IGGF CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1 1857619391 YBKVAVAQQUEYIH-HIXSDJFHSA-N 435.505 3.298 50 1 IGGF CN(C)Cc1ccc2nc(NC(=O)N/N=C3\C(=O)Nc4ccc(Cl)cc43)sc2c1 299863956 QNYFUZPQJYTJAH-UHFFFAOYSA-N 428.905 3.489 50 1 IGGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1ccccc12 1857579859 ISLVNNAYNPDFLA-HXUWFJFHSA-N 442.504 3.235 50 1 IGGF O=C(Cc1ccc(O)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O 45498816 VEPSOIKDRSPCRX-CNHKJKLMSA-N 444.079 3.021 50 1 IGGF CCCC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](COC(=O)CC)NC(=O)C(Cl)Cl 1857630491 JIFXSOQQAKGCCH-CZUORRHYSA-N 449.287 3.221 50 1 IGGF CN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1)C(=O)CCl 587890563 MJDPBACGAJAGFR-UHFFFAOYSA-N 427.715 3.494 50 1 IGGF N#C/C(=C\c1cccn1S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 61944519 GTRVPJBVKDIFNU-UDWIEESQSA-N 441.465 3.074 50 3 IGGF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3c2)cc1 586905936 GUAUGJZFBMWZQM-UHFFFAOYSA-N 449.444 3.350 50 1 IGGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCSCCC(=O)NN 587858762 BBBQCETYGKZGTO-UHFFFAOYSA-N 431.345 3.399 50 1 IGGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)CCc1ccccc1)O[C@@H]4O3 653697653 HPOGNFWRVKVGPG-RUORCVEKSA-N 432.513 3.341 50 1 IGGF O=C(O)CC[C@H](NC(=O)Nc1ccc(N(CCCl)CCCl)c(Cl)c1)C(=O)O 27557037 FOHNXHKIPVANJM-LBPRGKRZSA-N 440.711 3.064 50 1 IGGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433269 PRLJTUBIUKQZBE-KCMSVQPVSA-N 444.487 3.144 50 1 IGGF COc1cccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1OC 98085584 KVVOWQQZECZBOP-YDZHTSKRSA-N 448.508 3.075 50 1 IGGF CN(C)CCSSCCN(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 618010387 WMSMDGQWAZNEMQ-HNNXBMFYSA-N 437.672 3.096 50 1 IGGF CCOc1ccc([C@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)c(B(O)O)c1 963305162 VQNJKWRTFJFFEJ-VWLOTQADSA-N 435.304 3.061 50 1 IGGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C(C=O)[C@@H](C=O)[C@]32C)cc1 2356625771 YWTPSTGVICXAEK-WMCBMGDNSA-N 426.509 3.378 50 1 IGGF COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@H]2C[C@H]1S(=O)(=O)c1ccccc1 205703450 SLWOOBALFSOVFC-RZFLPCETSA-N 426.607 3.180 50 3 IGGF O=C(CCc1cc[n+]([O-])cc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 26991239 HNPPSEDHJWKRCR-UHFFFAOYSA-N 438.871 3.459 50 1 IGGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(Cc1ccccc1)C(=O)Oc1ccccc1 28765564 FGOYWVLRPBVAGY-QHCPKHFHSA-N 431.492 3.466 50 1 IGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587689758 VSTDSPPEECIDNP-PWVDTXNTSA-N 436.705 3.051 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356376824 XLIBUAZXWWMZDZ-LEJWQXHNSA-N 428.481 3.027 50 1 IGGF Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc(Cl)c3)c(=O)c12 49807688 NOGTVPTXCQDTLK-MSXFZWOLSA-N 435.871 3.087 50 1 IGGF N#C/C=C1/NC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2N1 587884538 OFAWOYGBXKTIEM-FBCYGCLPSA-N 425.275 3.224 50 1 IGGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)O[C@@H]4O3 653764386 WDADSCYANOPAQX-MVUWNWIBSA-N 430.497 3.422 50 1 IGGF CC(C)(CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)CO 29479304 MTWJMYYEMYEHPO-UHFFFAOYSA-N 448.610 3.487 50 1 IGGF Cc1c(C(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)nnn1-c1nonc1N 1857773735 GXSUCBMMIZZYDI-QUMQEAAQSA-N 440.467 3.054 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCCc4ccccc4)c32)cc([N+](=O)[O-])c1O 1857774827 YSFHMVQLBSVINT-IBGZPJMESA-N 447.451 3.426 50 1 IGGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 587030822 IYDHLHGGQANTGB-FBWGLTFQSA-N 428.543 3.293 50 1 IGGF O=C(NNCc1ccco1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 13518635 BOABEBQUKIHPOP-HSZRJFAPSA-N 445.523 3.035 50 1 IGGF C[C@@H]1CC[C@H]2[C@]3(C[C@H]4c5ccccc5CCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 473150948 NRENIRQWPVAXLR-YRLRYUHCSA-N 427.497 3.432 50 1 IGGF COc1ccc(/C=N/NC(=O)CN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 1772658169 WWUDUOSUPMOYBI-AQPAOHHBSA-N 444.491 3.421 50 1 IGGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1)c1ccc(Cl)cc1 66075593 FMQMZWDXESCUSG-UHFFFAOYSA-N 425.788 3.459 50 1 IGGF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587748537 XOQBXAPJRFZJSF-CFMSYZGJSA-N 433.277 3.136 50 1 IGGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(N)=O 587546611 WXLYDSXXRQMSEA-NZQKXSOJSA-N 440.883 3.392 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccccc2F)c1 96284130 HZPMGRIYEOEWAF-NRFANRHFSA-N 426.427 3.486 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587687034 YNEKCNZZJIYGPY-MLCYQJTMSA-N 445.716 3.328 50 1 IGGF CN(C)CCSSCCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 618008682 JNLFTPOSDAJZAB-GOSISDBHSA-N 425.620 3.237 50 1 IGGF Cc1cc2c(cc1O)[C@@](CCl)(c1ccc3c(c1)C(C)(C)CC(=O)N3)N[C@H](C(=O)O)C2 963492693 STJLJPHBEJUVRN-FDDCHVKYSA-N 428.916 3.402 50 1 IGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587009366 BVYXESHCWRWEPL-HNNXBMFYSA-N 442.819 3.499 50 1 IGGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCSCCC(=O)NN 587866816 QDFGGAUDTMBUAK-UHFFFAOYSA-N 430.452 3.111 50 1 IGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587683727 HWOPSVSVSWDALY-JEOXALJRSA-N 441.728 3.469 50 1 IGGF Cn1nc(-c2nc3cc(C(=O)NN)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130803 RVTXFBJTEKPITC-UHFFFAOYSA-N 449.421 3.384 50 1 IGGF NNC(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587231662 UJNIQURZCKPJFV-UHFFFAOYSA-N 430.468 3.056 50 1 IGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H]4C[C@@H](OC[C@@H]4C)[C@](C)(O)[C@H]23)[C@](C)(OC(=O)CCC)CC[C@@H]1OO 2356458897 VYGDZAKXSTVQPQ-SBXKLCPUSA-N 438.561 3.492 50 1 IGGF O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCCl)CCCl)cc1Cl)C(=O)O 27556100 LLHQMOOAPDTIJB-LBPRGKRZSA-N 441.695 3.030 50 1 IGGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2cc(C)nn2C(N)=C1C#N 82053107 HCKLXWRVOFTRSP-GFCCVEGCSA-N 429.286 3.428 50 1 IGGF O=CC1=COc2c([N+](=O)[O-])cc(F)cc2[C@@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962573018 MGWXFUYIERTJDS-YLJYHZDGSA-N 430.775 3.104 50 1 IGGF COc1ccc2c(c1OC)[C@H]([C@@H](Br)C(C)=O)N(C(=O)c1ccccc1N)CC2 963135849 BYOZDOMKXHOCJT-RBUKOAKNSA-N 447.329 3.378 50 1 IGGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2C 82053093 AFOSBOCSADAKKB-CYBMUJFWSA-N 444.297 3.474 50 1 IGGF C/C(C=O)=C\CC/C(C)=C/COc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 238780489 WKFSKDNTWBRHQR-AGDBXHSCSA-N 433.570 3.496 50 1 IGGF COC(=O)[C@H](CCSC)NC(=O)C1=S=C(N=[N+]=[N-])C(C#N)=C1c1ccc(Cl)cc1 653794434 RLWMCTVGSFFJSM-ZDUSSCGKSA-N 449.945 3.387 50 1 IGGF Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 40404641 BITBAHZKDHTCBF-VAHWYXDJSA-N 435.549 3.343 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCN4S(C)(=O)=O)[C@@H](C2)C3=O 587448416 IUGQFNPYXAZCCU-JTSKRJEESA-N 447.940 3.289 50 1 IGGF C/C(=C\C(=O)O)c1ccc(N2CCOCC2)c(NC(=O)N/N=C/c2ccc(F)cc2)c1 1857562161 FEWICRQMDADIOF-GURXTYFSSA-N 426.448 3.306 50 1 IGGF CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccnc(CCl)n2)c1OCC 587941047 RCGFXRKFBVTMNB-UHFFFAOYSA-N 425.869 3.157 50 1 IGGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O 28525234 KLOZHCMFTMOJNS-VEILYXNESA-N 447.514 3.403 50 1 IGGF CN(C)c1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 13125205 FCVIKTQVVCHLHB-PKNBQFBNSA-N 441.123 3.011 50 3 IGGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1/C=C/c1ccccc1 49111949 FAHUMUFXJYJTGW-CECLQJIQSA-N 446.532 3.185 50 1 IGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O 587448440 JBMMNOBKZMGUPH-HNAYVOBHSA-N 437.311 3.137 50 1 IGGF C[C@H]1CC(C)(C)N[C@@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 14243562 YYEKMGVVCOWLPF-KSRHRBNTSA-N 446.356 3.116 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCN1C(=O)c3ccccc3C1=O)O2 587370998 CXLHMWWEHRPLTM-OAQYLSRUSA-N 443.297 3.362 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O 587450102 RPMJEXOQDISPFL-WAQMSGSHSA-N 447.940 3.288 50 1 IGGF CCCOc1ccc(/C=N\NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 33547949 SEXWTFNVJFIGFP-QKYYUXOMSA-N 449.960 3.432 50 1 IGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320610 BCNKXRVBPBYNDR-AGHHOFFYSA-N 432.831 3.389 50 1 IGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320618 BCNKXRVBPBYNDR-PIPMEXSNSA-N 432.831 3.389 50 1 IGGF O=C1N(CCCl)c2cc(Br)ccc2[C@@]12NCCc1nc3ccccn3c12 962991187 UJCLXOHIRNFYDV-IBGZPJMESA-N 431.721 3.072 50 1 IGGF CN(C)c1ccc(/C=N/NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 98082330 LSJPPTZGQHNVMO-PCLIKHOPSA-N 426.480 3.417 50 1 IGGF CC[C@H](O)[C@](C)(O)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356703108 MBEVYGYNDJZZPR-SXPAWZJZSA-N 430.661 3.082 50 1 IGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587683741 HWOPSVSVSWDALY-WYRIXSBYSA-N 441.728 3.469 50 1 IGGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4OC(=O)[C@@]2(Br)CBr 169371452 SPDKABPDDJUGRG-BCLBKFSSSA-N 440.128 3.287 50 1 IGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN(CCCN)CCCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49802838 GWTDOGFZLWNDDQ-XOBYLBSTSA-N 439.641 3.017 50 1 IGGF O=C(NNCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccncc1 1857639268 RTVAIGMZGGZKPZ-UHFFFAOYSA-N 429.568 3.113 50 1 IGGF C/C(=N\NC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1 15994278 CXGXZBZBBHFFCF-JVWAILMASA-N 428.452 3.326 50 1 IGGF O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 29565355 LTORPVDXMAYAKC-INIZCTEOSA-N 432.908 3.113 50 1 IGGF O=c1cc(CCl)oc(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1O 64485786 CTAYITJPCLOBJJ-UHFFFAOYSA-N 428.710 3.330 50 1 IGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(CCl)cc(=O)n2c1 587891293 XAGDCCMFGOPAGX-UHFFFAOYSA-N 434.710 3.451 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F 618007919 NEZNCQSSWQERPB-LBPRGKRZSA-N 428.473 3.059 50 1 IGGF Cc1nc(C)c([C@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962975788 YORXCIOVBBHXTE-BDJLRTHQSA-N 435.652 3.460 50 1 IGGF COc1ccc(NC(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccccc43)cc2)cc1 1857564700 KXRFOTGWLUJWLC-UHFFFAOYSA-N 429.436 3.425 50 1 IGGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)ccc1Br 84723790 JPFQZYOSWZPYQT-NIQDBXHUSA-N 435.274 3.067 50 1 IGGF O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 29565352 LTORPVDXMAYAKC-MRXNPFEDSA-N 432.908 3.113 50 1 IGGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCCCC(=O)NN 587868145 VQQJCNHQCZVRNP-UHFFFAOYSA-N 427.427 3.333 50 1 IGGF COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@@H](O)C=C(C=O)[C@H](C=O)[C@]32C)cc1 139542077 YWTPSTGVICXAEK-ZFLWQVEISA-N 426.509 3.378 50 1 IGGF Cc1cc(C(=O)NN)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 587884035 BPSCOKOVTMMFCP-UHFFFAOYSA-N 441.318 3.164 50 1 IGGF COc1ccc(/C=C(\C#N)C(=O)N/N=C(\C)c2cc3cccc(OC)c3oc2=O)cc1OC 1772633461 FNKCHKAVXUPVSB-IWHCWVCESA-N 447.447 3.266 50 1 IGGF COc1ccc([C@H]2C(C#N)=C(NC(=O)/C=C/C(=O)O)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857770187 FUNDQBMEJZRASL-SGWGQVFISA-N 441.447 3.135 50 1 IGGF COc1ccc2[nH]c(C(=O)NC(=S)NNC(=O)COc3ccc(C(C)C)cc3)cc2c1 1857753286 MNCMTXPJAVEIFQ-UHFFFAOYSA-N 440.525 3.014 50 1 IGGF CN(C)c1cccc(-n2c(NNC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1 13779134 AJMRNBSGTOOMHD-UHFFFAOYSA-N 439.479 3.472 50 1 IGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC(=O)N4CCOCC4)s1)[C@@H](C2)C3=O 587448689 BGJKIUKGPONTES-KSFYIVLOSA-N 447.940 3.040 50 1 IGGF NNC(=O)CSc1nc2scc(-c3cccc(F)c3)c2c(=O)n1-c1cccc(F)c1 28349743 QXWYBBSOXAMJLY-UHFFFAOYSA-N 444.488 3.474 50 1 IGGF CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)Nc1nccs1 44386581 RCPWCRFPCOXJBQ-INIZCTEOSA-N 429.373 3.113 50 1 IGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689759 VSTDSPPEECIDNP-QPWKKTDDSA-N 436.705 3.051 50 1 IGGF O=C(CBr)NCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586970458 BIKWHVCIRVLYGF-UHFFFAOYSA-N 445.033 3.278 50 1 IGGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(C(=O)NN)cc2s1 587869460 KHWHJCRGIGZNRK-UHFFFAOYSA-N 434.403 3.175 50 1 IGGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](CC1CCCCC1)B(O)O 195463856 LMGKERQGSGEGTD-YADHBBJMSA-N 440.324 3.154 50 1 IGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587685851 RVAMFCJSAHCOMO-JEOXALJRSA-N 441.728 3.469 50 1 IGGF Cc1cc2c(cc1O)[C@](CCl)(c1ccc3c(c1)C(C)(C)CC(=O)N3)N[C@H](C(=O)O)C2 963492694 STJLJPHBEJUVRN-MBSDFSHPSA-N 428.916 3.402 50 1 IGGF N#C/C(C(=O)Nc1sc2c(c1C(N)=O)CCCC2)=C1\SC(=O)CN1c1ccccc1 49113905 LBURDIQRLLXCGZ-KGENOOAVSA-N 438.534 3.179 50 1 IGGF CN1c2ccc(S(C)(=O)=O)cc2S[C@@H]1NC(=O)CC1CCC(Br)CC1 1857605559 JJFKNMGNYJAOLP-VCMHEYGDSA-N 447.420 3.376 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(F)cc1 28345787 IMEZPAQSFTUENW-UHFFFAOYSA-N 426.498 3.335 50 1 IGGF O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cccc2ccccc12 29564393 JFQYHAIOQJMPNJ-HXUWFJFHSA-N 449.511 3.363 50 1 IGGF C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@@](C)(O)[C@H]2C[C@@H]3[C@@H](C)CO2)[C@](C)(OC(=O)CCC)CC[C@@H]1OO 72141084 VYGDZAKXSTVQPQ-CVMYZUFNSA-N 438.561 3.492 50 1 IGGF CCOC(=O)[C@H](Cl)[C@@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962624489 CUFILLNGHYCSBD-BBWFWOEESA-N 439.892 3.347 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCN4)cc(Br)c1OC 1857769049 ZOCFAGRBSYHNTF-SFHVURJKSA-N 444.285 3.489 50 1 IGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587683735 HWOPSVSVSWDALY-NSPYISDASA-N 441.728 3.469 50 1 IGGF CC1(C)O[C@@](C)([C@H]2CC[C@](C)(NC=O)[C@H]3CC[C@@](C)(O)[C@H](N=C=O)[C@@H]32)CC[C@@H]1Cl 36444575 BSQGCPBYPMIJLR-QJUHQHJTSA-N 426.985 3.338 50 1 IGGF O=C(O)c1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963235717 RRNGFGZACNYNQJ-GHTZIAJQSA-N 441.281 3.170 50 1 IGGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12C(C=O)=COc1cc(F)ccc12 963136836 GWXOATFIQZOWKQ-QVKFZJNVSA-N 446.456 3.247 50 1 IGGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCN(C)CC1 13491840 RQQHTDNUQZRYBY-LJQANCHMSA-N 427.936 3.340 50 1 IGGF CCCCC[C@H](C=C[C@H]1[C@H](CC=CCCCC(=O)OC(CO)CO)[C@H]2C[C@H]1OO2)OO 2356342692 CSMKZOGJSGGURC-WHCFWRGISA-N 442.549 3.329 50 1 IGGF CC(C)(C)COC(=O)OC(=O)[C@@H]1N2C(=O)[C@H](N=CN3CCCCCC3)[C@@H]2SC1(C)C 2356695900 ARLJVXKILPRVFL-ZOBUZTSGSA-N 439.578 3.048 50 1 IGGF O=C(NNC(=O)N1CCOCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299823390 FTCFCYAFXYTVKR-UHFFFAOYSA-N 434.540 3.389 50 1 IGGF C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN 587575477 BZZPZEZARYPIDQ-QRUVEDRTSA-N 434.448 3.026 50 1 IGGF CC[C@H](O)[C@](C)(O)[C@@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356703106 MBEVYGYNDJZZPR-KNKUVARMSA-N 430.661 3.082 50 1 IGGF CN(C)CCSSCCCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 618008839 LLQQFPDJXTUCSC-UHFFFAOYSA-N 427.636 3.483 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1F 28355222 SLJJLHPZLDRFLA-UHFFFAOYSA-N 426.498 3.335 50 1 IGGF C[C@@H]1CC(C)(C)N[C@@H](CCO[P@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 43211868 YYEKMGVVCOWLPF-FICWAZMISA-N 446.356 3.116 50 1 IGGF OB(O)c1ccc([C@@]2(C3CCCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706721 OHLRBNBKDDDWLF-RDPSFJRHSA-N 425.378 3.303 50 1 IGGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587748542 XOQBXAPJRFZJSF-SBKAZYGRSA-N 433.277 3.136 50 1 IGGF CCCCC(=O)Oc1c(O)ccc(CNNC(=O)CCCCc2ccc(O)cc2)c1O 1772612906 XZRQEQXDQMNSTO-UHFFFAOYSA-N 430.501 3.433 50 1 IGGF CC[C@H](C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169363461 LLEYTMCHSAVWTC-IHZROQCJSA-N 439.549 3.433 50 1 IGGF NNC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl 587880744 AVZMDOMTMMKYGL-UHFFFAOYSA-N 425.703 3.352 50 1 IGGF CCOC(=O)/C(C#N)=C1\C=CC(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1 587891004 JELJSWSIAGONQU-HTXNQAPBSA-N 430.291 3.040 50 1 IGGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]12C(C=O)=COc1cc(F)ccc12 963136839 GWXOATFIQZOWKQ-VFNWGFHPSA-N 446.456 3.247 50 1 IGGF CC(=O)O[C@H](O/C(C)=N/NC(=O)c1cc(/C=C\c2ccco2)on1)c1ccc([N+](=O)[O-])o1 49067151 BSRLYUOMOAPYCG-FXCMQNKJSA-N 444.356 3.281 50 1 IGGF COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587687033 YNEKCNZZJIYGPY-MGNBDDOMSA-N 445.716 3.328 50 1 IGGF Cc1nc(C)c([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962975790 YORXCIOVBBHXTE-BZNIZROVSA-N 435.652 3.460 50 1 IGGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3c(O)cc(O)cc3O)cc2)o1 1857744035 MHXMCWLUFLJJOY-WYMPLXKRSA-N 446.419 3.293 50 1 IGGF C#C[C@H](Br)[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@H]2[C@@H](C)O1 2356799141 UBDKCFIVYUAQMW-YTXVKOSPSA-N 442.575 3.246 50 1 IGGF CCOc1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)cc1OCC 587669784 PDXCKYNGMBKARY-UHFFFAOYSA-N 444.491 3.454 50 1 IGGF CC[C@H](O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](O)CC 29483592 BOIPNRZERHMMCS-HOTGVXAUSA-N 448.610 3.487 50 1 IGGF C[C@@H](CN1CCNCC1)C(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 72117099 VYXHJCOUCCSSBQ-UUSOXFGISA-N 448.604 3.436 50 1 IGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCCO)cc1 95808475 QXZFAILDNWQRAW-JJIBRWJFSA-N 427.501 3.193 50 1 IGGF Cc1[nH]nc2c1[C@](c1cc(F)cc(N3CCC(C(=O)O)CC3)c1)(C(C)C)C(C#N)=C(N)O2 1772604886 JPUKBKCOTBHVDC-QHCPKHFHSA-N 439.491 3.187 50 1 IGGF Cc1nc2ccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2[nH]1 58569450 HIWUXBRHCJIYHC-UHFFFAOYSA-N 428.294 3.103 50 1 IGGF Cc1ccc(-c2c(/C=C(\C#N)C(=O)NC(C)(C)C)n(CCCO)c3ncnc(N)c23)cc1 95564455 SVXJIKFFHBDTNV-SFQUDFHCSA-N 432.528 3.193 50 1 IGGF COc1ccc(COc2ccccc2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 1857555750 RZWDWGODUPHQOF-JFLMPSFJSA-N 431.492 3.463 50 1 IGGF Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)O)s3)C[C@@H]2Cl)c(Cl)c1Cl 224122180 ZGCDZLDEEWFKEE-JGVFFNPUSA-N 437.736 3.401 50 1 IGGF C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(=O)C(=C)C 238764467 XLIBUAZXWWMZDZ-VBCAFPCJSA-N 428.481 3.027 50 1 IGGF O=C(N/N=C1\CCc2cccc(O)c21)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1857599008 XWJGHZOEQSVJGY-FCDQGJHFSA-N 427.526 3.084 50 1 IGGF O=C(NCCCCO)c1ccccc1SSc1ccccc1C(=O)NCCCCO 29475147 YYBVLAGSGLITNU-UHFFFAOYSA-N 448.610 3.491 50 1 IGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 587751840 ZDOQMLHMKBRKTG-FKANQGBASA-N 436.325 3.143 50 1 IGGF Cc1cc(C(=O)N/N=C/[c-]2cc(Br)cc([N+](=O)[O-])c2=O)c2ccccc2n1 169693958 QLWYGXSLGUBTKN-AWQFTUOYSA-N 428.222 3.057 50 1 IGGF [C-]#[N+][C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(Nc2ccc(OC(F)F)nc2)c(C(N)=O)c1 261190167 YVKWIIHEUFTVPO-HFTRVMKXSA-N 430.459 3.414 50 1 IGGF Cc1cc([C@@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)no1 962656436 APXZWZLHMNDHEF-VQTJNVASSA-N 430.302 3.268 50 1 IGGF CC[C@@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](CC)CO 29473004 YYWTYTCHSRLVJN-IYBDPMFKSA-N 448.610 3.487 50 1 IGGF COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 66263940 DVNQEUCPQGLTMI-FSJBWODESA-N 449.379 3.223 50 1 IGGF CC(C=CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)CC(C)=CC=O)=C[C@@H](CO)CCO 2356531121 PRTVRCOTGRINLU-ACRRGDEPSA-N 448.556 3.071 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1F 618007850 KTLAXKQTQSMXPX-ZDUSSCGKSA-N 428.473 3.059 50 1 IGGF O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2 13120134 RLQYCBJMJJEKGX-NRIJHJMBSA-N 436.306 3.120 50 1 IGGF CC(C)[C@H](Cl)[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963705297 RBUDNWIBKMCILD-TUFLPTIASA-N 430.932 3.023 50 1 IGGF COC(=O)CCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857557442 JAGQBOJCUBIGEC-VAWYXSNFSA-N 434.540 3.006 50 1 IGGF Cc1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 73196937 HSVWUYQHLUYXPF-SFHVURJKSA-N 437.500 3.185 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)O2 587410345 QWQDDALWRIYBNA-YEJXKQKISA-N 434.945 3.387 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc2c(c3O)OCO2)cc(Br)c1OC 1857653678 KHRPGZIOWGUZLO-AWEZNQCLSA-N 447.241 3.119 50 1 IGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H]4C[C@@H](OC[C@@H]4C)[C@](C)(O)[C@H]23)[C@@](C)(OC(=O)CCC)CC[C@@H]1OO 2356458892 VYGDZAKXSTVQPQ-KGXSIXGHSA-N 438.561 3.492 50 1 IGGF CO[C@@H]1[C@H](OC(=O)C=C[C@@H]2O[C@@H]2C)CC[C@](O)(CCl)[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C 2356638517 HVVQOFBOWDNQCO-CVQDTJTRSA-N 428.953 3.150 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc(OC)c1O 1772630547 CZYDCJDQWYGVTD-LJQANCHMSA-N 441.447 3.306 50 1 IGGF O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCCl)CCCl)c(Cl)c1)C(=O)O 27558089 FETITNIDTQUNRR-LBPRGKRZSA-N 441.695 3.030 50 1 IGGF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@@](C)(CO[C@@H]4OC(C=O)=C[C@@H](O)[C@@H]4O)[C@@H](O)CC[C@]23C)C1 238742824 CTMIHTZBIJEOSG-ZLCNAFIYSA-N 446.584 3.270 50 1 IGGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21 962934986 XADUZOPRVXSDNK-UTKZUKDTSA-N 435.977 3.080 50 1 IGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(NC(C)=O)nn1)CC2=O 587457226 WOZMHGFJRRBOEO-LJQANCHMSA-N 434.290 3.349 50 1 IGGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Br)ccc1O 1857755194 ALQGJBNDWJOQGB-BJPPMWOHSA-N 438.272 3.419 50 1 IGGF COc1cc2c3c(c1)O[C@]1(c4cc(C#N)c(O)nc4CC[C@@H]1Br)[C@@H](C2)C3=O 587416850 FPZVJPVEBWOOHY-ZSOFBXJNSA-N 427.254 3.020 50 1 IGGF NCCSSCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 618007924 UTTDOYRAKBNQTJ-AATRIKPKSA-N 428.023 3.048 50 1 IGGF COC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1OC 587009800 UBJCWAZDWHLNJP-KRWDZBQOSA-N 440.887 3.478 50 1 IGGF C[C@H](CO)NC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019132 HOHJGPDAAXLSLJ-LJYZBVLISA-N 448.503 3.380 50 1 IGGF CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95808859 URGYPENFTPPCTB-XIEYBQDHSA-N 440.544 3.250 50 1 IGGF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C=C(C=O)[C@@H]2CO)cc(OC)c1OC 13309159 JWPKJTCSNFOPKB-JXFKEZNVSA-N 444.480 3.075 50 1 IGGF biogenic NC(=O)c1coc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963176051 CGMJVBCVVYOYSB-HWPZZCPQSA-N 437.201 3.132 50 1 IGGF COC(=O)[C@H](Cl)[C@@]1(C(C)(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963141036 JGNGIHKUNLVXGF-UFYHVXEKSA-N 446.953 3.411 50 1 IGGF CN(/N=N/c1nc(OCc2ccccc2)c2nc[nH]c2n1)C(=O)Oc1ccc(C(N)=O)cc1 28637837 CHGDOLZABFQNRP-BYYHNAKLSA-N 446.427 3.160 50 1 IGGF CCCCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@]2(C)O[C@@H]1O 2356623714 KOJDHHJUQBZUHA-VDWMVFLBSA-N 427.969 3.143 50 1 IGGF Cc1cc(-c2n[nH]c(-c3ccc(OCCOCCOCCCl)c(C#N)c3)n2)ccn1 40867267 UUDPYLGOWACYPG-UHFFFAOYSA-N 427.892 3.365 50 1 IGGF COCCOc1nc(-c2ccc(OC)c(OC)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653880679 RAQYQROXZAWZBU-UHFFFAOYSA-N 446.891 3.154 50 1 IGGF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747955 SXJPFKOUFNFHBI-WVDJIFEKSA-N 433.277 3.136 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCN4S(C)(=O)=O)[C@@H](C2)C3=O 587448403 IUGQFNPYXAZCCU-HTAPYJJXSA-N 447.940 3.289 50 1 IGGF C[C@H](CN1CCNCC1)C(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 72117100 VYXHJCOUCCSSBQ-FWEGCFLISA-N 448.604 3.436 50 1 IGGF C[C@@H]1CC[C@@H]2[C@](Br)(CBr)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101272591 SPDKABPDDJUGRG-PJHNLYFNSA-N 440.128 3.287 50 1 IGGF Cc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2 299868642 RZLCVRFSRRJNQL-UHFFFAOYSA-N 443.419 3.242 50 1 IGGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O 587448606 KIBPVJCNBTYWBE-KYNGSXCRSA-N 437.311 3.104 50 1 IGGF O=C(N/N=C/c1ccc(OCCn2cc(COc3ccccc3)nn2)cc1)c1ccncc1 169346138 OUXCWNCJPYZLGU-WGOQTCKBSA-N 442.479 3.095 50 1 IGGF O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 169689626 VDUDVKZAXNSFPT-FSJBWODESA-N 437.819 3.344 50 1 IGGF C#C[C@H](Br)[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@@H]2[C@@H](C)O1 2356799140 UBDKCFIVYUAQMW-YJWUBFQJSA-N 442.575 3.246 50 1 IGGF O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 26179812 USLKPRXFSNEHRG-JMZSYGSJSA-N 430.461 3.290 50 1 IGGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CCl)c1c[nH]c(C=O)c1 963154475 XWKQLVRKDBQMSJ-FZKQIMNGSA-N 425.894 3.013 50 1 IGGF Cc1ccc(S(=O)(=O)C[C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409222 QUCAMJLTFYFEQH-IBGZPJMESA-N 438.343 3.458 50 1 IGGF COc1ccc2c(c1)C(=NNC(=O)c1ccc(NC(=O)Nc3ccccc3)cc1)C(=O)N2 1857618526 SRWKSPOFFBVOSN-UHFFFAOYSA-N 429.436 3.425 50 1 IGGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O 587325418 FBUQDVGRDQKNDE-SIKLNZKXSA-N 428.847 3.462 50 1 IGGF Cc1cc2c(cc1O)[C@](Cn1cccc1C=C(C#N)C#N)(c1ccccc1)N[C@H](C(=O)O)C2 963505969 DEVNNNWQMDTCPQ-OZXSUGGESA-N 438.487 3.475 50 1 IGGF COc1ccc(-c2nc(C(=O)NN=C3NC(=O)CS3)cc3c2[nH]c2ccccc23)cc1 1772652657 FTZNRTPXBINKAU-UHFFFAOYSA-N 431.477 3.256 50 1 IGGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2cccc(F)c2)c1 96284127 LLQDGKJSYCJLJA-NRFANRHFSA-N 426.427 3.486 50 1 IGGF CCO/C=C(\C#N)C(=O)N/N=C(\C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 653861896 YKTVURUHRKOEGP-MEBXXKOGSA-N 446.916 3.425 50 1 IGGF N[C@H](CCl)NCCC[C@@H]1NC(=O)N(Cc2cccc(-c3ccccc3Cl)c2)[C@@H]1O 914431335 TXEBWPPWSVMYOA-SLFFLAALSA-N 437.371 3.113 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O 587449856 DRODQQGPFJCPGT-FXCLAUTBSA-N 449.956 3.355 50 1 IGGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1N1CCOCC1 13491852 SEIHAMOGVUHZRZ-MRXNPFEDSA-N 444.919 3.131 50 1 IGGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCSSCCN(C)C 618009129 SRVNONXAGUPYSD-SFHVURJKSA-N 427.636 3.387 50 1 IGGF COC1=CN(C)C(CCl)=C[C@@]12c1scnc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 963143167 MFTYQJVETGDUTD-DJJJIMSYSA-N 441.937 3.141 50 1 IGGF Cc1ccc(C2=NN(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 1857650217 NQACXMPXNCFFCW-TYLRVVQJSA-N 435.362 3.308 50 1 IGGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1O 28527962 GAJDNRQUYCWGNE-RRAHZORUSA-N 443.551 3.259 50 1 IGGF Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 299864235 QXOZJJVPNVCQAZ-UHFFFAOYSA-N 443.419 3.242 50 1 IGGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(F)c1 28345781 HOLPBLPVONKBJC-UHFFFAOYSA-N 426.498 3.335 50 1 IGGF C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 103163898 CAOWAVHTPWKVTL-HXUWFJFHSA-N 435.439 3.328 50 1 IGGF N#C[C@@H](Br)C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 45258375 KUYXYJYTQQCJGH-QEFFHFBBSA-N 436.265 3.037 50 1 IGGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587410372 RLRRIRRLPCOEPU-OAQYLSRUSA-N 434.945 3.389 50 1 IGGF COC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c1ccccc1n2C(=O)OC(C)(C)C 1857771717 VZJNWBQRQWLMIB-LJQANCHMSA-N 437.374 3.484 50 1 IGGF O=C1CSC(=NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)N1 1772607038 BULPQIGUOGQYGH-UHFFFAOYSA-N 446.448 3.155 50 1 IGGF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC(=O)NCCCl)cc1)[C@H](C)N2 28097710 ZNQOENRHQKZKKH-NSHDSACASA-N 446.895 3.494 50 1 IGGF Nc1nccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587323924 UUKXOODQRHLSQS-PXNSSMCTSA-N 444.260 3.553 50 1 IGGF COC(=O)[C@H](Cl)[C@@]1(C(C)(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963141042 JGNGIHKUNLVXGF-ZKTNFTSUSA-N 446.953 3.411 50 1 IGGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O 587325419 FBUQDVGRDQKNDE-UGKGYDQZSA-N 428.847 3.462 50 1 IGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCCCn3ccnc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84672006 IDICYWNOTUEKRI-BRALBGQASA-N 435.565 3.087 50 1 IGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC(=O)N4CCOCC4)s1)[C@@H](C2)C3=O 587448686 BGJKIUKGPONTES-AOMKIAJQSA-N 447.940 3.040 50 1 IGGF NC(=O)c1coc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963176109 CGMJVBCVVYOYSB-MGPLVRAMSA-N 437.201 3.132 50 1 IGGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC(=O)OCC)=C(C#N)[C@@H]1c1cccnc1 20057948 ITXCAGBYQIGJMI-ONZPZFSWSA-N 442.497 3.353 50 1 IGGF C/C(=C/[C@]1(C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1)NNC(=O)CC#N 962695116 CZYZRJMZPRKEFD-IALQMXRLSA-N 442.482 3.385 50 1 IGGF CCCOc1ccc(/C=N\NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 33547948 SEXWTFNVJFIGFP-QFVADWCQSA-N 449.960 3.432 50 1 IGGF C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 84670906 XGKXYPOBLUTKHY-UBXTYJAUSA-N 442.479 3.333 50 1 IGGF CCO/C(O)=C1/C(C)=NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1 17519966 SIJWVVRIHUBHTJ-HGBKYHTQSA-N 430.482 3.479 50 1 IGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2nc(Br)c[nH]c-2n1 587009814 URHWIWGHBUMMJS-LBPRGKRZSA-N 433.697 3.187 50 1 IGGF C=C1[C@H](O)[C@@H](O)[C@@]2(Br)O[C@H]3C[C@](C)(Cl)[C@H](Br)C[C@@]13C2(C)C 238762545 HHAPTLGHHVSVQT-RGGOSHLVSA-N 444.591 3.335 50 1 IGGF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)c1C 586947237 KMLIMWRDIFOBBO-UHFFFAOYSA-N 435.509 3.251 50 1 IGGF Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)cc1 1857563765 MRDATXVXSOPHQJ-RWPZCVJISA-N 426.476 3.326 50 1 IGGF COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(OC)c1C2=O 29342768 IVHHNPLAUISMHU-UHFFFAOYSA-N 438.307 3.464 50 1 IGGF O=C(Nc1cc(Cl)ccc1B(O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 1772585860 CGTMRLPBFWCGIP-UHFFFAOYSA-N 436.582 3.478 50 1 IGGF C[C@@H]1CC(C)(C)N[C@H](CCO[P@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 3917646 YYEKMGVVCOWLPF-DZLKFECGSA-N 446.356 3.116 50 1 IGGF NNC(=O)c1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 587886184 KJOADJGNWWQFBN-UHFFFAOYSA-N 426.303 3.461 50 1 IGGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84690375 MFJWBRQAZCKWNM-IAGOWNOFSA-N 446.250 3.474 50 1 IGGF O=C([C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(O)c(O)c2)N1)C(F)(F)F 962732080 WKYUCQBPWJRVGD-SUMWQHHRSA-N 430.220 3.382 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@@]3(c4cccc1c42)[C@H](Br)[C@H]1CC[C@@]3(C(=O)O)C1(C)C 963029247 PTHYYMJQEAWSAI-HRXIKYKXSA-N 433.346 3.220 50 1 IGGF C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 98084999 CAOWAVHTPWKVTL-FQEVSTJZSA-N 435.439 3.328 50 1 IGGF COC(=S)O[C@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195484202 ZNDKKCUUVXIWFC-XQQFMLRXSA-N 439.614 3.034 50 1 IGGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCBr)CCBr 95573137 GFVDXJLNPXHGQS-OAQYLSRUSA-N 445.048 3.270 50 1 IGGF CC(=O)O/C=C1\CCC/C(C=O)=C\C[C@H]2C(C(=O)/C=C\C(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 238783306 PGYCRIBVSDGTRT-HKSUXKPRSA-N 446.496 3.065 50 1 IGGF COc1ccc(/C=N\NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 473169921 OSTPAQYMQBRJON-PPEIKGMUSA-N 427.460 3.053 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356573934 GMTCNRGBCVJUIX-YDGGHXNMSA-N 430.497 3.107 50 1 IGGF Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3Cl)c(=O)c12 49808603 NSBNSZNSFUUTEW-MSXFZWOLSA-N 435.871 3.087 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@](CBr)([C@@H]3COc4ccccc4O3)c3cccc1c32 963037983 ZCSZMKVLEBDHAE-MPKWNAGQSA-N 429.314 3.170 50 1 IGGF CC(=O)Nc1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 102838580 PDZLYHAQHHESGQ-BKUYFWCQSA-N 442.522 3.271 50 1 IGGF CC(C)(CCl)[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963683575 BMIJEMAVTIAFGQ-SLFFLAALSA-N 430.932 3.025 50 1 IGGF CS(=O)(=O)Nc1ccc(CCC(=O)NNCCc2ccc(Cl)c(Cl)c2)cc1 45393428 XAKGEHHPSWATME-UHFFFAOYSA-N 430.357 3.161 50 1 IGGF CC(C)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OCc1ccccc1 618008455 GTRYXZZPFHMUGW-SFHVURJKSA-N 427.636 3.339 50 1 IGGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 587030823 IYDHLHGGQANTGB-IXIHQHOXSA-N 428.543 3.293 50 1 IGGF CCCN1N=C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](Cl)C1=O 962960673 TWCQAIPECMQFCF-VQIMIIECSA-N 429.870 3.398 50 1 IGGF N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccc(OCC(N)=O)cc1 4163018 TXJPEHVDTJIOBW-NRFANRHFSA-N 437.459 3.312 50 1 IGGF O=C1N(CCCl)c2cc(Br)ccc2[C@]12NCCc1nc3ccccn3c12 962991190 UJCLXOHIRNFYDV-LJQANCHMSA-N 431.721 3.072 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]1C(=C)C=O 2356573931 GMTCNRGBCVJUIX-KSNCWDBZSA-N 430.497 3.107 50 1 IGGF CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc(Cl)c1OC 84671876 VVJUSDVAPWCZKN-DOUQRPAJSA-N 434.876 3.356 50 1 IGGF Cc1c(/N=C2/C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2Cl)c(=O)n(-c2ccccc2)n1C 169686814 QZUVVJQSUWJKRM-DRTYGMKQSA-N 443.290 3.391 50 1 IGGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)Nc1ccccc12 1857546201 STYUSGJMIMDCKM-AREMUKBSSA-N 449.422 3.490 50 1 IGGF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 26165174 USLKPRXFSNEHRG-CZVJUVATSA-N 430.461 3.290 50 1 IGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCCc4ccccc4)c32)cc([N+](=O)[O-])c1O 1857774828 YSFHMVQLBSVINT-LJQANCHMSA-N 447.451 3.426 50 1 IGGF CN1C(=O)C[C@@H]2CN[C@]3(c4cccc1c42)[C@H](Br)[C@H]1CC[C@@]3(C(=O)O)C1(C)C 963029240 PTHYYMJQEAWSAI-GIUSUKGCSA-N 433.346 3.220 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)O2 587410346 QWQDDALWRIYBNA-ZSEKCTLFSA-N 434.945 3.387 50 1 IGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2C(=O)NC(=O)[C@@H]2Cl)cc1 587883627 PSODNVCWEJUTDV-RTBURBONSA-N 449.721 3.051 50 1 IGGF C#CCCCNC(=O)c1cc(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)c1 1857650974 CTCWBYKHJRYXNX-UHFFFAOYSA-N 433.295 3.308 50 1 IGGF C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 84670907 XGKXYPOBLUTKHY-FLOSOGMCSA-N 442.479 3.333 50 1 IGGF COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(Cc4ccccc4)C[C@@H]23)cc1OC 299827415 GNABYLIEXSUSLI-QUURXOELSA-N 435.524 3.376 50 1 IGGF C[C@H]1CC(C)(C)N[C@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 14243564 YYEKMGVVCOWLPF-MPEQGZPJSA-N 446.356 3.116 50 1 IGGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)NNC(=S)Nc3ccccc3)s2)cc1 103180519 FHMXCEPTSUNZBH-UHFFFAOYSA-N 441.538 3.344 50 1 IGGF C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN 587746515 GNCGISAQXDTCCR-JGRMJRGVSA-N 436.325 3.143 50 1 IGGF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCl)cc1 27984086 JBXPHERYXKKYOQ-UHFFFAOYSA-N 440.930 3.011 50 1 IGGF CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3 504472676 PGLPIGNVKSMLLT-LAODNWJCSA-N 439.549 3.290 50 1 IGGF biogenic Cc1nc(C)c([C@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962975791 YORXCIOVBBHXTE-MEDUHNTESA-N 435.652 3.460 50 1 IGGF Cc1c(F)cccc1[C@H]1C(C#N)=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 103202307 CXUHTWQAYXBKCJ-SFHVURJKSA-N 440.866 3.237 50 1 IGGF CCN(CC)[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 26168433 GWSJHOWENWEAOU-AREMUKBSSA-N 435.285 3.075 50 1 IGGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 587030824 IYDHLHGGQANTGB-QOUOVQQFSA-N 428.543 3.293 50 1 IGGF COc1ccc(Cl)cc1C#Cc1ccc(OCn2ccc(C(=O)NN)n2)c(Cl)c1 587902444 UZYUNVZPZWEJOB-UHFFFAOYSA-N 431.279 3.238 50 1 IGGF Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc(F)cc2)n1-c1ccccc1 103241789 BRRLPEICRIWGGL-LKUDQCMESA-N 440.529 3.198 50 1 IGGF CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(Br)cc3)no2)cc1 45367398 OHOPSXLBICSACD-KEBDBYFISA-N 428.246 3.221 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 587392424 ZEZUYFQVKVJMMX-CPJLOUKISA-N 431.492 3.243 50 1 IGGF CCO/C(O)=C(/C#N)C=Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 299849759 UGXXWNSMOYWDSN-PAALBFRDSA-N 429.454 3.291 50 1 IGGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cn(C)c3ccccc23)CC1 618008638 IXHZRXOLZNKBFK-UHFFFAOYSA-N 448.658 3.090 50 1 IGGF CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1 1857584235 UMVPNSCQNGFUCJ-HIXSDJFHSA-N 435.505 3.298 50 1 IGGF C[C@@H]1CC[C@@H]2[C@](Br)(CBr)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43833602 SPDKABPDDJUGRG-AUTHNMGKSA-N 440.128 3.287 50 1 IGGF Cc1cc2c(cc1O)[C@@](c1ccc(F)cc1)([C@@H](Cl)C(=O)C(F)(F)F)N[C@H](C(=O)O)C2 963506015 DOEPICYHRBSCEL-QOKNQOGYSA-N 445.796 3.421 50 1 IGGF COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C=C(C=O)[C@H]2CO)cc(OC)c1OC 13309165 JWPKJTCSNFOPKB-OXQOHEQNSA-N 444.480 3.075 50 1 IGGF biogenic C/C(=N\NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 40894986 QXDFPOACCUJYQS-PNCDLBDQSA-N 435.549 3.425 50 1 IGGF CCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 45254657 HUZQRVRJAJVKPP-FGZHOGPDSA-N 440.448 3.348 50 1 IGGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(N)=O 587546617 WXLYDSXXRQMSEA-REWPJTCUSA-N 440.883 3.392 50 1 IGGF O=C(NNCc1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29569183 BOABEBQUKIHPOP-QHCPKHFHSA-N 445.523 3.035 50 1 IGGF COC1=CN(C)C(CCl)=C[C@]12c1scnc1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 963143155 MFTYQJVETGDUTD-BFUOFWGJSA-N 441.937 3.141 50 1 IGGF CC(C=O)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1 2356678197 WKFSKDNTWBRHQR-UHFFFAOYSA-N 433.570 3.496 50 1 IGGF CC[C@H](C)NC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3 169693203 LLEYTMCHSAVWTC-MQHLHUBKSA-N 439.549 3.433 50 1 IGGF O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 44387178 FHVCUDOQNNJRIT-KTFKWIISSA-N 440.327 3.392 50 1 IGGF CCOC(=O)Cc1csc(N(NC(=O)c2csc(-c3ccccc3)n2)C(C)=O)n1 64447711 VQWPPFQHHYVIDL-UHFFFAOYSA-N 430.511 3.070 50 1 IGGF CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)c(O)c1 587664131 APIOBOGSGZMWJF-UHFFFAOYSA-N 443.507 3.208 50 1 IGGF Cc1ccc(F)cc1[C@@H]1C(C#N)=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 103219674 LUKIFWKHGAZXJD-GOSISDBHSA-N 440.866 3.237 50 1 IGGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12C(C=O)=COc1cc(F)ccc12 963136833 GWXOATFIQZOWKQ-BTYIYWSLSA-N 446.456 3.247 50 1 IGGF CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O 586993669 ZBJZFBMTCWFNPP-XMMPIXPASA-N 433.416 3.277 50 1 IGGF O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccncc1 12728425 YNCPHALRGSAFFN-YSMPRRRNSA-N 425.448 3.469 50 1 IGGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cc1 148914825 PXDGIFGYVAPLCW-XNTDXEJSSA-N 431.500 3.225 50 1 IGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccc3c(c2)OCO3)N1 963229335 KBZAFQUFFAGDBC-UWJYYQICSA-N 441.281 3.201 50 1 IGGF O=C(CBr)NCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586971064 LKLOJTNRGUTPLP-UHFFFAOYSA-N 445.033 3.278 50 1 IGGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 618008151 SKVZTHBNVNRALL-QGZVFWFLSA-N 448.658 3.008 50 1 IGGF O=C(N/N=C/c1ccccc1Br)N1N=C(c2ccco2)C[C@@]1(O)C(F)(F)F 1857774304 PQTVKPMMFXDFRJ-MNPVBQOISA-N 445.195 3.447 50 1 IGGF COc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)c(I)c1O 1857588055 KRPIBUAYFXJMRS-DJKKODMXSA-N 435.221 3.251 50 1 IGGF CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 166168311 OMJNSVVPACCGQN-YXJLRHLOSA-N 443.135 3.368 50 1 IGGF Cc1c2cc[n+](CCOCCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccc(O)cc12 169350005 MMXICGRCOFYDLJ-UHFFFAOYSA-O 436.492 3.424 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)O2 587410446 MTABMGOCPMSWFB-YCRPNKLZSA-N 436.961 3.455 50 1 IGGF C[C@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 40409622 SVTWGRLAWAGANE-JTQLQIEISA-N 434.246 3.099 50 1 IGGF C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(=O)CCCCl)C3=O 101419251 QFJOGIWVPJYXEG-SJCPWWRSSA-N 448.943 3.042 50 1 IGGF COc1ccc(/C=N/NC(=O)c2cc(Br)c(Br)[nH]2)cc1OC 169702855 OXBHWKIWRWHWKH-REZTVBANSA-N 431.084 3.321 50 1 IGGF N#CC(C#N)=C1N(CCNCc2ccc(CN3CCCCC3)o2)CCN1c1ccccc1 36338473 ZIOCHZDNVNHMBT-UHFFFAOYSA-N 430.556 3.436 50 1 IGGF CC(C)CN(NC(=O)c1c[nH]c(-c2ccccc2)n1)c1nc(C#N)ncc1Br 58582460 QMCRGIYVTVZMNB-UHFFFAOYSA-N 440.305 3.308 50 1 IGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1C(F)(F)F 618008091 RLSSIIKYURZBNV-ZDUSSCGKSA-N 428.473 3.059 50 1 IGGF CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@H]2N1)C(=O)c1ccc2ccccc2c1O 618012979 KTCZAIRHUKYGKR-QOJCHSLYSA-N 429.948 3.219 50 1 IGGF Cc1cc2c(cc1O)[C@@](Cn1cccc1C=C(C#N)C#N)(c1ccccc1)N[C@H](C(=O)O)C2 963505968 DEVNNNWQMDTCPQ-JYFHCDHNSA-N 438.487 3.475 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356376827 XLIBUAZXWWMZDZ-YDGGHXNMSA-N 428.481 3.027 50 1 IGGF Cc1ccc(F)cc1[C@H]1C(C#N)=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 103219676 LUKIFWKHGAZXJD-SFHVURJKSA-N 440.866 3.237 50 1 IGGF Cc1c(/N=C2/C(=O)N(c3ccccc3Cl)C(=O)[C@H]2Cl)c(=O)n(-c2ccccc2)n1C 169686815 QZUVVJQSUWJKRM-SUQPPTJISA-N 443.290 3.391 50 1 IGGF N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 170188917 LISJXDSGLWWOAV-TWOQFEAHSA-N 443.180 3.162 50 1 IGGF NC(=O)C1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 49695496 QGIGJCPTQNAQKU-UHFFFAOYSA-N 432.561 3.118 50 1 IGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1Br 95809403 VNRIMIPHOVCXMA-UDWIEESQSA-N 429.311 3.430 50 1 IGGF COc1ccc2c(c1OC)[C@H]([C@H](Br)C(C)=O)N(C(=O)c1ccccc1N)CC2 963135851 BYOZDOMKXHOCJT-RTBURBONSA-N 447.329 3.378 50 1 IGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 587685853 RVAMFCJSAHCOMO-WLRWDXFRSA-N 441.728 3.469 50 1 IGGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Cl)nc(NCCn2ccc(O)nc2=O)n1 1772582392 IDUCYXLRWYVBCU-ONEGZZNKSA-N 438.875 3.450 50 1 IGGF CS(=O)(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2nnc(-c3cccs3)s2)cc1 1911581714 XMANVSIXENNKQL-FMIVXFBMSA-N 432.508 3.151 50 1 IGGF Cc1c(F)cccc1[C@@H]1C(C#N)=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 103202305 CXUHTWQAYXBKCJ-GOSISDBHSA-N 440.866 3.237 50 1 IGGF O=C(CCl)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccccc1 621430381 SKKFAFBTSBYIRO-SFTDATJTSA-N 439.943 3.122 50 1 IGGF CCCN1N=C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](Cl)C1=O 962960671 TWCQAIPECMQFCF-QFBILLFUSA-N 429.870 3.398 50 1 IGGF N#C/C(NCc1ccccn1)=C1/C(=O)c2ccccc2[C@@]12c1ccsc1CCN2C(N)=O 962713992 QDSUVOCRGSCURH-IVEWOJHHSA-N 441.516 3.087 50 1 IGGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 299861374 KYMKWFKRVIGOTL-MFKUBSTISA-N 441.447 3.046 50 1 IGGF COc1ccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(OC)cc43)cc2)cc1 1857568467 BHZDMLBLXMPNIK-UHFFFAOYSA-N 444.447 3.042 50 1 IGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H]4C[C@@H](OC[C@@H]4C)[C@](C)(O)[C@H]23)[C@](C)(OC(=O)CCC)CC[C@H]1OO 2356458890 VYGDZAKXSTVQPQ-AGJFYTPRSA-N 438.561 3.492 50 1 IGGF CC(=O)OC=C1CCCC(C=O)=CC[C@@H]2C(C(=O)C=CC(C)(C)O)=CO[C@@H](OC(C)=O)[C@H]12 2356642648 PGYCRIBVSDGTRT-PTUXOGIPSA-N 446.496 3.065 50 1 IGGF O=C(COc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 33340107 BXTAEPFPMRRMPH-QRVIBDJDSA-N 434.408 3.082 50 1 IGGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCc3ccc4c(c3)OCO4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911584963 WFTPUSQKHLRERN-USDJROKUSA-N 434.485 3.255 50 1 IGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)NC(=O)[C@H](C)O4)[C@@H](C2)C3=O 587413282 MKQDFTUEWWDSQW-GUEQVVBPSA-N 444.281 3.452 50 1 IGGF NC(=O)COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587544573 OMGQYSNFAQYNJV-NZQKXSOJSA-N 439.851 3.352 50 1 IGGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)NC2CCCCC2)c1 1857577683 WJOBFOMSSGXELE-FCDQGJHFSA-N 427.526 3.084 50 1 IGGF C[C@@H]1CC[C@@H]2[C@](Br)(CBr)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43833611 SPDKABPDDJUGRG-AMWJMBAYSA-N 440.128 3.287 50 1 IGGF CC(=O)C(OO[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O 586993667 ZBJZFBMTCWFNPP-DEOSSOPVSA-N 433.416 3.277 50 1 IGGF O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 13122200 FNSQMUWGESNXLY-OUKQBFOZSA-N 447.838 3.281 50 3 IGGF COc1ccc(-n2c(SCC(=O)NN)nc3scc(-c4ccccc4)c3c2=O)cc1 28350681 FIWQWQIUCQHSOA-UHFFFAOYSA-N 438.534 3.205 50 1 IGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320621 BCNKXRVBPBYNDR-RBDMOPTHSA-N 432.831 3.389 50 1 IGGF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747954 SXJPFKOUFNFHBI-SBKAZYGRSA-N 433.277 3.136 50 1 IGGF COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1Cn1nc(C)c([N+](=O)[O-])c1C 40866835 QVVAQRWYALQAMP-FQEVSTJZSA-N 449.467 3.280 50 1 IGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(C(N)=O)c1)CC2=O 587456989 UHEDNPAXZKXBKV-HXUWFJFHSA-N 434.286 3.405 50 1 IGGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586971655 VKQKRVRNJWWNQV-UHFFFAOYSA-N 429.034 3.398 50 1 IGGF NNC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587119075 VJIPMMWEFFWLFA-UHFFFAOYSA-N 445.361 3.005 50 1 IGGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCSSCCN(C)C 618009124 SRVNONXAGUPYSD-GOSISDBHSA-N 427.636 3.387 50 1 IGGF C/C(=C/[C@]1(C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1)NNC(=O)CC#N 962695117 CZYZRJMZPRKEFD-QLZVHELBSA-N 442.482 3.385 50 1 IGGF CCCCC[C@H](C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)OC(CO)CO)OO 2356342686 CSMKZOGJSGGURC-MIUGBVLSSA-N 442.549 3.329 50 1 IGGF N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)c1nc2ccccc2[nH]1 1857643380 LGBUJTNUEKXCSR-KRWDZBQOSA-N 427.892 3.318 50 1 IGGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 1857763651 UJWOCERNYCULDJ-UHFFFAOYSA-N 428.489 3.145 50 1 IGGF COc1cc(/C=N/NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O 103275166 JRPMOWLLMOMMJS-ZVHZXABRSA-N 429.436 3.065 50 1 IGGF CN(C)CCSSCCN(C)C(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 618010405 WUHYWWGZMPBSJY-UHFFFAOYSA-N 427.636 3.435 50 1 IGGF O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cccc2ccccc12 29564397 JFQYHAIOQJMPNJ-FQEVSTJZSA-N 449.511 3.363 50 1 IGGF C[C@@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)OC1=O 587883735 VIKFJOLALFEUJK-QFIPXVFZSA-N 430.287 3.435 50 1 IGGF CC(=O)O/C=C1/CCC/C(C=O)=C\C[C@H]2C(C(=O)/C=C\C(C)(C)O)=CO[C@@H](OC(C)=O)[C@@H]12 238783301 PGYCRIBVSDGTRT-VZPZSWEASA-N 446.496 3.065 50 1 IGGF Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccccc3)c1)OCO2 40394236 RWEGDIUICORUDT-QRVIBDJDSA-N 438.461 3.255 50 1 IGGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CCl)c1c[nH]c(C=O)c1 963154468 XWKQLVRKDBQMSJ-ACJLOTCBSA-N 425.894 3.013 50 1 IGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320624 BCNKXRVBPBYNDR-XJABCFGWSA-N 432.831 3.389 50 1 IGGF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747953 SXJPFKOUFNFHBI-FVINQWEUSA-N 433.277 3.136 50 1 IGGF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CCCBr)C3=O)cc1 95601864 PPPDSCDFUQFYPH-UHFFFAOYSA-N 437.315 3.177 50 1 IGGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)ccc1Br 84723787 JPFQZYOSWZPYQT-PGNNWUFWSA-N 435.274 3.067 50 1 IGGF Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3nnc(C)s3)c2)cc1 1911578168 WBWBZHUFUNKLMP-MHWRWJLKSA-N 440.506 3.468 50 1 IGGF N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 170188924 LISJXDSGLWWOAV-KOLWVEQXSA-N 443.180 3.162 50 1 IGGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)COc2ccccc2)c1N1CCOCC1 13491853 SEIHAMOGVUHZRZ-INIZCTEOSA-N 444.919 3.131 50 1 IGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)O2 587408910 FJVSOUCAGFUTBN-NRFANRHFSA-N 434.945 3.140 50 1 IGGF Cc1nc(C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1[nH]c1ccccc12 73169889 FRFXTHGVOUTPRC-SFHVURJKSA-N 439.516 3.335 50 1 IGGF N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730248 MKXDBXNJQURPKR-LVCYWYKZSA-N 449.860 3.223 50 1 IGGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NCCn2ccc(O)nc2=O)ncc1Cl 1772578084 BFTPTTCVGXTWLU-ONEGZZNKSA-N 438.875 3.450 50 1 IGGF CC(C)CN(NC(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(C#N)ncc1Br 66259114 OVSWKZXANMTGNU-UHFFFAOYSA-N 440.305 3.308 50 1 IGGF COc1ccc(/C=N/NC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1 299866463 VUMOKPLJAPXTDD-WGOQTCKBSA-N 426.476 3.146 50 1 IGGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(Cl)c(Cl)c1 71295367 RHLAMDAEOBMZSE-UFFVCSGVSA-N 440.308 3.395 50 1 IGGF CC(C)(C)COC(=O)OC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@@H]2SC1(C)C 2356695898 ARLJVXKILPRVFL-VYDXJSESSA-N 439.578 3.048 50 1 IGGF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)N2CCC(N=C=O)CC2)cc1 587919806 XKPWZOQMRHCZRX-UHFFFAOYSA-N 430.913 3.237 50 1 IGGF N#CSC[C@@]1(c2ccc(O)c(O)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962644007 STSZTOURVBILMM-SGTLLEGYSA-N 440.399 3.053 50 1 IGGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)Nc1ccccc12 1857546202 STYUSGJMIMDCKM-SANMLTNESA-N 449.422 3.490 50 1 IGGF COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]2C[C@H]1S(=O)(=O)c1ccccc1 205700814 SLWOOBALFSOVFC-ADHGMGHFSA-N 426.607 3.180 50 3 IGGF COC1=[N+](OO)C(C)=C(O)N/C1=C\c1ccc(OC/C=C(\C)CC[C@H](O)C(C)(C)O)cc1 59371133 IKQWGWCFHSPNCF-AMJVATJQSA-O 449.524 3.077 50 1 IGGF O=C([C@H]1Cc2ccccc2[C@@](CBr)(c2ccc(O)c(O)c2)N1)C(F)(F)F 962732077 WKYUCQBPWJRVGD-CXAGYDPISA-N 430.220 3.382 50 1 IGGF CS(=O)(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772655462 CCGJSGYTRQBUDF-ZRDIBKRKSA-N 448.508 3.066 50 1 IGGF COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O 13125672 TVYYFJXEICSYIJ-JQIJEIRASA-N 442.431 3.294 50 3 IGGF COc1ccc([C@@H]2C(C#N)=C(NC(=O)/C=C/C(=O)O)Nc3n[nH]c(-c4ccccc4)c32)cc1 1857770188 FUNDQBMEJZRASL-YVNCXZRQSA-N 441.447 3.135 50 1 IGGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3nc(O)nc(O)c3cc12 587366108 JTDLNCRKDGJERD-ULKVUYOBSA-N 429.112 3.361 50 1 IGGF CCN(CCCN(C)C)CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N 36289090 YJCGJSSCXUXQOQ-UHFFFAOYSA-N 430.600 3.490 50 1 IGGF C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O 26376482 WOFAABWEQYFPBT-HMDURAKOSA-N 445.385 3.279 50 1 IGGF COc1ccc([C@H]2[C@H](Br)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O 1857773282 FMNWKBQPXOADHL-IRXDYDNUSA-N 438.274 3.278 50 1 IGGF CC(C=CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@H](C)CC(C)=CC=O)=C[C@H](CO)CCO 2356531123 PRTVRCOTGRINLU-ANOZEODCSA-N 448.556 3.071 50 1 IGGF C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O 2356498519 BLOLONQBMLUSIP-KSGYGYLPSA-N 442.508 3.417 50 1 IGGF