smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(NC(=O)c1ccc(Cl)cc1)c1ncc(Cl)cc1C(F)(F)F 1039526 NKKVARDZLHZJHK-UHFFFAOYSA-N 364.154 4.188 50 30 FIGC c1ccc([P+](CC[C@H]2CCCN2)(c2ccccc2)c2ccccc2)cc1 111901873 QJNBEWRACZSBBH-OAQYLSRUSA-N 360.461 4.123 50 30 FIGC Cc1cc(C)c(CC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 1048529 QROICUMKGWFAIJ-UHFFFAOYSA-N 369.534 4.296 50 30 FIGC Cc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 1032889 NKIGFSGGTQFESG-UHFFFAOYSA-N 362.477 4.294 50 30 FIGC COc1ccc(C=CC=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2265272006 BIEPCFKTWQJQTO-UHFFFAOYSA-N 359.834 4.243 50 30 FIGC O=C(NN=Cc1ccc(F)cc1)c1sccc1OCc1ccc(F)cc1 8578567 GCHBMPACGCRJRU-UHFFFAOYSA-N 372.396 4.369 50 30 FIGC Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c(Br)c1 1045996 YUMAPLILFVLCAW-UHFFFAOYSA-N 367.202 4.026 50 30 FIGC CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1 1574949 AWXVWHGHUTUGAK-UWVGGRQHSA-N 370.468 4.103 50 30 FIGC OB(O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 514282368 QNUFXOKVLKCBFV-UHFFFAOYSA-N 350.226 4.367 50 30 FIGC O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl 1043022 UKQSJKDWNMBCMS-UHFFFAOYSA-N 350.127 4.164 50 30 FIGC O=C(NNC(=O)c1cccc2ccccc12)c1cncc(-c2cccs2)c1 1033623 ZWIZRHTUHWPVEQ-UHFFFAOYSA-N 373.437 4.038 50 30 FIGC CN1C(=O)[C@H](O[Si](C)(C)C)N=C(c2ccccc2)c2cc(Cl)ccc21 195795569 QQCHKHBRXNQGTF-SFHVURJKSA-N 372.928 4.331 50 30 FIGC CC(C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCCC1 604933940 BUCUNTDJBGROAP-UHFFFAOYSA-N 367.609 4.395 50 30 FIGC CN(NC(=O)c1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F 1039524 OBSCIRDAOGUHMS-UHFFFAOYSA-N 364.154 4.188 50 30 FIGC Cc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)on1 111891481 UWCBZLIUJWUMAB-UHFFFAOYSA-N 358.401 4.477 50 30 FIGC CCOC(=O)/C(C#N)=C(\SC)Sc1ccc(Br)cc1 15444243 GGNOASPTMJFOPU-ACCUITESSA-N 358.282 4.202 50 30 FIGC Cc1cc(C)cc(N/C=C(\C#N)S(=O)(=O)Cc2ccc(Cl)cc2)c1 3082955 XFCWWQORUPLXKG-WOJGMQOQSA-N 360.866 4.349 50 30 FIGC CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 1035399 KLQCTHFTSXWGSF-QGOAFFKASA-N 357.413 4.318 50 30 FIGC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 725239930 ISQVKBDIZXALSG-SFHVURJKSA-N 362.820 4.052 50 30 FIGC O=C(NN=Cc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 2265279531 IDDPVBQSJOQRGS-UHFFFAOYSA-N 362.138 4.171 50 30 FIGC N#CC1=C(N)OC2=C(COc3ccc(F)cc32)[C@@H]1c1ccc(Cl)cc1 1039493 NUFHOXFUJJNSOS-QGZVFWFLSA-N 354.768 4.090 50 30 FIGC N#C/C(=C\c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 1039827 OVDDRILLVBIDTR-XYOKQWHBSA-N 356.205 4.471 50 30 FIGC COc1cccc2c(O[Si](C)(C)C)cc(C(=O)O[Si](C)(C)C)nc12 195805424 OKIHGXUNNDWVSQ-UHFFFAOYSA-N 363.562 4.449 50 30 FIGC O=C(NN=Cc1cccc(Br)c1)c1ccccc1-n1cccc1 12959040 UZACUIRIYIXKGF-UHFFFAOYSA-N 368.234 4.004 50 30 FIGC Cn1cccc1C1=C(C#N)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 1024190 JWEGXSKVMGVGJD-OAHLLOKOSA-N 371.227 4.074 50 30 FIGC C[S@@](=O)(=N/C=C(\C#N)C(=O)c1ccc(Cl)cc1)c1ccsc1 12367171 DFVMJZREEWTPQW-FQTAANOTSA-N 350.852 4.149 50 30 FIGC COC(=O)CCN(CCc1ccccc1)c1ccc(C=C(C#N)C#N)c(C)c1 38612116 CKVFZBMKRBUULD-UHFFFAOYSA-N 373.456 4.038 50 30 FIGC N#CC1=C(N)OC2=C(COc3ccc(F)cc32)[C@H]1c1ccc(Cl)cc1 1039494 NUFHOXFUJJNSOS-KRWDZBQOSA-N 354.768 4.090 50 30 FIGC Cc1ccc(C2=CC(=C(C#N)C#N)C=C(c3ccccc3)S2(=O)=O)cc1 2574222 YDOQCPPVNDSSBM-UHFFFAOYSA-N 358.422 4.149 50 30 FIGC O=[N+]([O-])c1cccc([C@H](Cl)CC(O)(C(F)(F)F)C(F)(F)F)c1 2020720 UFLYCPKQNJKUGW-MRVPVSSYSA-N 351.630 4.121 50 30 FIGC N#C/C(=C\c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccn1 1039081 BVFDZHZHYDPGDE-KPKJPENVSA-N 372.755 4.092 50 30 FIGC Cc1onc(-c2ccccc2)c1C(=O)NNc1c(Cl)cncc1Cl 1030874 AYHOPBJZBVBXLL-UHFFFAOYSA-N 363.204 4.109 50 30 FIGC C[S@](=O)(=N/C=C(\C#N)C(=O)c1cccs1)c1ccc(Cl)cc1 1037781 VIPBETWFSCGHNC-NELJVSICSA-N 350.852 4.149 50 30 FIGC O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 100069029 JQXGQDNUXYODIT-UHFFFAOYSA-N 366.048 4.221 50 30 FIGC Cc1nc(-c2cccnc2)sc1C(=O)N/N=C/c1c(F)cccc1Cl 1047524 YNYUAPCEIKILQQ-ZVBGSRNCSA-N 374.828 4.070 50 30 FIGC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccccc1F 1032747 XAYXIERYHMFKRU-UHFFFAOYSA-N 363.751 4.339 50 30 FIGC O=C(OC1CCN(CCCl)CC1)C(c1ccccc1)c1ccccc1 2530691 MYNBDRGQYBNWEN-UHFFFAOYSA-N 357.881 4.065 50 30 FIGC biogenic Cc1cccc(Cl)c1/C=N/NC(=O)Cc1csc(-c2ccccc2)n1 13469086 HYYPMJVUGLMSFU-SRZZPIQSSA-N 369.877 4.465 50 30 FIGC CS(=O)(=O)c1ccc2c(c1)N(CCCCl)c1ccccc1S2 33506536 QQAJFUSAULHWQR-UHFFFAOYSA-N 353.896 4.322 50 30 FIGC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 644158933 ISQVKBDIZXALSG-GOSISDBHSA-N 362.820 4.052 50 30 FIGC N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 4363933 KMXVILNOCVMZQR-CPNJWEJPSA-N 368.845 4.469 50 30 FIGC Nc1sc(-c2ccccc2)cc1C(=O)N/N=C/c1ccc(Cl)cc1 1036208 AGFXBPPYCNVSER-SRZZPIQSSA-N 355.850 4.415 50 30 FIGC CS/C(NC1CCCCC1)=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 20442320 DBQJUBVNLMJSIP-NXVVXOECSA-N 370.927 4.092 50 30 FIGC CN(CBr)C(=O)SC1=CC=CN(Cc2ccccc2)C1 223656106 PSIPMUOWKKNBKF-UHFFFAOYSA-N 353.285 4.037 50 30 FIGC O=C(NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 1029597 OQGWMVBIPABAAI-UHFFFAOYSA-N 374.809 4.129 50 30 FIGC CCOC(=O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1 1574947 AWXVWHGHUTUGAK-ZJUUUORDSA-N 370.468 4.103 50 30 FIGC CCOC(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 4914558 AWXVWHGHUTUGAK-NXEZZACHSA-N 370.468 4.103 50 30 FIGC CCCS(=O)(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1034994 QUOHUKPNGUVEED-WUXMJOGZSA-N 371.302 4.413 50 30 FIGC CC(C)(C)[Si](O[C@H]1CCC(=O)[C@@H](F)C1)(c1ccccc1)c1ccccc1 205119283 QPSJGTYAYBXFGD-PXNSSMCTSA-N 370.540 4.023 50 30 FIGC Cc1c(CC(=O)NNC(=O)Nc2ccccc2)sc2ccc(Cl)cc12 1040550 HROOELAADGXRLN-UHFFFAOYSA-N 373.865 4.259 50 30 FIGC CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)c2ccccc2Cl)cc1 1046685 GISDHSUPCDKXTR-AWEZNQCLSA-N 358.869 4.103 50 30 FIGC O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl 1026929 SWVAHDIAIJGFPZ-UHFFFAOYSA-N 374.680 4.278 50 30 FIGC C[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C 197197493 YMWSWNUVQIBISA-BFHYXJOUSA-N 350.680 4.025 50 30 FIGC O=C(Cc1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 12368349 QQARWHYTDFJUJF-UHFFFAOYSA-N 362.404 4.098 50 30 FIGC C[S@](=O)(=N/C=C(\C#N)C(=O)c1ccc(Cl)cc1)c1ccsc1 1038658 DFVMJZREEWTPQW-RUCTVCJSSA-N 350.852 4.149 50 30 FIGC N#C/C(=C\Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(C(F)(F)F)c1 1038493 ZCSRZYKYPYGEJH-ACCUITESSA-N 374.318 4.179 50 30 FIGC CC(C)[C@H]1COC(c2ccc(P(c3ccccc3)c3ccccc3)cc2)=N1 100032625 JQSHVIHPLIPLFB-HSZRJFAPSA-N 373.436 4.246 50 30 FIGC Cc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1C(F)(F)F 1031133 PRFJMBYQRZAIFM-UHFFFAOYSA-N 361.323 4.426 50 30 FIGC CC1(C)CC(=O)C2=C(C1)[C@@H](Br)[C@@]1(C)CC(C)(C)C[C@@]2(O)C1 137587827 FSFXQVVJDNRGBL-FHLIZLRMSA-N 355.316 4.397 50 30 FIGC CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)c2ccccc2Cl)cc1 1046684 GISDHSUPCDKXTR-CQSZACIVSA-N 358.869 4.103 50 30 FIGC Nc1sc(-c2ccccc2)cc1C(=O)N/N=C/c1ccccc1Cl 1036204 ZFTRMSUILPBRGM-SRZZPIQSSA-N 355.850 4.415 50 30 FIGC N#C/C(=C\Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1037439 VTZMASQYNNXYBJ-XNTDXEJSSA-N 353.230 4.244 50 30 FIGC Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2Cl)n(C(C)(C)C)n1 1047716 HOMXQZQJXYUJPT-UHFFFAOYSA-N 374.794 4.376 50 30 FIGC N#C/C(=C\c1ccc(Oc2ccccc2)nc1)S(=O)(=O)c1ccccc1 3467731 XCFMKJPREVMSNL-CPNJWEJPSA-N 362.410 4.212 50 30 FIGC O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1-n1cccc1 1048138 BFGZBWOOHWQVMV-SRZZPIQSSA-N 374.227 4.254 50 30 FIGC CN(NC(=O)c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl 1039520 OVAHVZUSXIJWHE-UHFFFAOYSA-N 364.154 4.188 50 30 FIGC CCOP(=O)(OCC)C(Br)P(=O)(OCC)OCC 34307398 QAWDODRNXNBWNT-UHFFFAOYSA-N 367.113 4.197 50 30 FIGC O=[N+]([O-])c1cccc([C@@H](Cl)CC(O)(C(F)(F)F)C(F)(F)F)c1 2020721 UFLYCPKQNJKUGW-QMMMGPOBSA-N 351.630 4.121 50 30 FIGC c1ccc([P+](CC[C@@H]2CCCN2)(c2ccccc2)c2ccccc2)cc1 111901872 QJNBEWRACZSBBH-NRFANRHFSA-N 360.461 4.123 50 30 FIGC O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1 4334759 OMLZXXSVADMTMM-HYARGMPZSA-N 372.453 4.365 50 30 FIGC O=C(NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Cl 1048211 JRSWNRJCAVPYJU-UHFFFAOYSA-N 374.809 4.129 50 30 FIGC CCCCCCCCS(=O)(=O)S(=O)(=O)CCCCCCCC 100313987 KKEJKYBURSQHHW-UHFFFAOYSA-N 354.578 4.452 50 30 FIGC CCCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccccc1 1032887 IYNFACRUDHKLEW-UHFFFAOYSA-N 354.841 4.235 50 30 FIGC CC(=O)/C(C#N)=C(\N=C\N(C)C)SCc1c(Cl)cccc1Cl 4323274 ATAVPZMWOOWDTH-UOTFLDJSSA-N 356.278 4.141 50 30 FIGC CC(C)(C)[Si](OCCCCCCO)(c1ccccc1)c1ccccc1 195893949 GYLUCTSUXJQGEC-UHFFFAOYSA-N 356.582 4.116 50 30 FIGC COc1cccc(-c2csc(NNC(=O)c3ccc(Cl)cc3)n2)c1 1036626 UQGWXCQLHQOKOS-UHFFFAOYSA-N 359.838 4.229 50 30 FIGC O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1ccccc1 1033674 IYUCZHRKBBKRHQ-HYARGMPZSA-N 359.454 4.440 50 30 FIGC CC(C)(C)[Si](O[C@@H]1CCC(=O)[C@@H](F)C1)(c1ccccc1)c1ccccc1 205119263 QPSJGTYAYBXFGD-XLIONFOSSA-N 370.540 4.023 50 30 FIGC CCO[Si](CCCNC(=O)O[C@@H]1CC/C=C/CCC1)(OCC)OCC 2265339985 KYZVUBVVMBLZAV-IWAYRVGRSA-N 373.566 4.040 50 30 FIGC COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 1041593 OCTHKESIKCLIKY-MDWZMJQESA-N 359.179 4.430 50 30 FIGC CC(C)(C)[Si](OCCCCCC=O)(c1ccccc1)c1ccccc1 195945491 YKYXHPYPWULKKT-UHFFFAOYSA-N 354.566 4.322 50 30 FIGC C[Si](C)(C)O[C@H]1C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO1 197197480 YMWSWNUVQIBISA-MJBXVCDLSA-N 350.680 4.025 50 30 FIGC CN(NC(=O)c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 1039522 WXVLRGPLNBFBRL-UHFFFAOYSA-N 364.154 4.188 50 30 FIGC CCOC(=O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1 1574948 AWXVWHGHUTUGAK-VHSXEESVSA-N 370.468 4.103 50 30 FIGC COC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)C(Cl)Cl 1026361 AAYAHODVDAEFJW-UHFFFAOYSA-N 362.209 4.083 50 30 FIGC CC(C)(C)[Si](O[C@@H]1CCC(=O)[C@H](F)C1)(c1ccccc1)c1ccccc1 205119235 QPSJGTYAYBXFGD-YLJYHZDGSA-N 370.540 4.023 50 30 FIGC COC[C@]1(CCC(C)=C(C)C)Nc2ccc(C(=O)O)cc2C[C@H]1Cl 1589286 FWINDTDIQJWMLC-MJGOQNOKSA-N 351.874 4.482 50 30 FIGC biogenic,in-vitro O=C(N/N=C/c1c(F)cccc1Cl)c1cccn1-c1ccc(F)cc1 1043807 OVAMGNMUZCWTSS-SSDVNMTOSA-N 359.763 4.173 50 30 FIGC C[S@@](=O)(=N/C=C(\C#N)C(=O)c1cccs1)c1ccc(Cl)cc1 12366974 VIPBETWFSCGHNC-NEQMZLFVSA-N 350.852 4.149 50 30 FIGC O=C(Nc1ccc(Br)cc1C(F)(F)F)C(Cl)Cl 1036278 DLOZUNBIMSOGKT-UHFFFAOYSA-N 350.949 4.210 50 30 FIGC N#CC(C#N)=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1 1036034 RUGPPOPMCQPTCW-UHFFFAOYSA-N 357.200 4.094 50 30 FIGC O=C(NNc1ccc(-c2csnn2)cc1)c1cc(Cl)cc(Cl)c1 1035029 HDPYIFOXMZFYOP-UHFFFAOYSA-N 365.245 4.269 50 30 FIGC C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](Br)C2=O 61704744 WQCCGDRKRHLVJM-AHWGMODPSA-N 367.327 4.253 50 30 FIGC in-vitro CN1CCN(C2=Cc3cc(Cl)ccc3/C(=C/C#N)c3ccccc32)CC1 40163461 UJCYUJOQBXHJFH-ZBKNUEDVSA-N 361.876 4.354 50 30 FIGC in-man N#C/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 18270034 MZFFIFJVKJOSKH-XNTDXEJSSA-N 353.230 4.244 50 30 FIGC CCOC(=O)/C(C#N)=C/Nc1cccnc1Oc1ccc(C)c2c1CCC2 1038810 ZJESHJHTSCIDJY-FYWRMAATSA-N 363.417 4.054 50 30 FIGC O=C(N/N=C/C=N/Nc1ccccc1)c1sc2ccccc2c1Cl 2150926 AXCAJLXPOZVUDT-ROUMAOROSA-N 356.838 4.368 50 30 FIGC CCCCC#Cc1cncc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1 4364052 UNDYISFLGRJMNS-DHRITJCHSA-N 373.378 4.406 50 30 FIGC CCO[Si](CCCNC(=O)O[C@H]1CC/C=C/CCC1)(OCC)OCC 2265339986 KYZVUBVVMBLZAV-OZSKJFCKSA-N 373.566 4.040 50 30 FIGC CC(C)(C)C(=O)NNC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1047705 FBMVQANQBXBJTQ-UHFFFAOYSA-N 371.220 4.186 50 30 FIGC CSc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1 254757511 VCFIBPJWRUAQNZ-UHFFFAOYSA-N 350.896 4.304 50 30 FIGC CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4216504 IMUIZZGKYILUHZ-SCUQKFFVSA-N 364.913 4.056 50 30 FIGC biogenic,in-man COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Cl 254660037 XIRVHSUZWFUNSJ-UHFFFAOYSA-N 357.624 4.419 50 30 FIGC CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1CCCCCCC(=O)O 85534357 NTAYABHEVAQSJS-CDIPTNKSSA-N 354.487 4.244 50 30 FIGC in-vitro COc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 1041595 UGGJMFHGEZCKKH-MDWZMJQESA-N 359.179 4.430 50 30 FIGC CNCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 196148178 XWLPYOYXFVQERN-UHFFFAOYSA-N 367.787 4.089 50 30 FIGC Cn1cccc1C1=C(C#N)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 1024191 JWEGXSKVMGVGJD-HNNXBMFYSA-N 371.227 4.074 50 30 FIGC N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccc(F)cc1 1042544 ZWFXWWKTZMKUKG-WEVVVXLNSA-N 351.200 4.195 50 30 FIGC CS(=O)(=O)/C(C#N)=C/c1ccsc1Sc1ccc(Cl)cc1 1038671 UZBXFUPCTHTUFV-MDWZMJQESA-N 355.893 4.462 50 30 FIGC CC(C)(C)[Si](OCC1=CCCCC1=O)(c1ccccc1)c1ccccc1 221003830 DEHIQKJGMFGGNQ-UHFFFAOYSA-N 364.561 4.242 50 30 FIGC CC(C)(C)c1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1 1047277 GVNBUZWXCBKHIE-UHFFFAOYSA-N 361.898 4.269 50 30 FIGC O=C(NN=Cc1ccccc1)c1sccc1OCc1ccc(F)cc1 8578575 PNYKHKNJXGGTBA-UHFFFAOYSA-N 354.406 4.230 50 30 FIGC N#C/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 1037464 MZKZDZJUYYSUPS-CPNJWEJPSA-N 352.390 4.230 50 30 FIGC CN1C(=O)[C@@H](O[Si](C)(C)C)N=C(c2ccccc2)c2cc(Cl)ccc21 195795567 QQCHKHBRXNQGTF-GOSISDBHSA-N 372.928 4.331 50 30 FIGC CNc1ccc(Cl)cc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1024746 LTZPYFXURVDMNJ-IFRROFPPSA-N 372.639 4.158 50 30 FIGC CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H](OO2)[C@@H]1C/C=C\CCCC(=O)O 71277350 YIBNHAJFJUQSRA-WTKFZEAQSA-N 352.471 4.020 50 30 FIGC Cc1oc(N)c(S(=O)(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2)c1C 1046437 VXDZPPNEVUVXEP-WLRTZDKTSA-N 371.245 4.124 50 30 FIGC O=C(NNc1ncccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 1043034 NOBJZTYHJOLTGP-UHFFFAOYSA-N 350.127 4.164 50 30 FIGC O=C(NN=Cc1ccc(OCCCF)cc1)c1ccc(C(F)(F)F)cc1 13143399 ACGUBTFFNUBHKQ-UHFFFAOYSA-N 368.330 4.208 50 30 FIGC Cc1cc(/C=C(\C#N)S(C)(=O)=O)c(C)n1-c1ccc(C(F)(F)F)cc1 1039690 DUGNZWYXIQSOQG-CXUHLZMHSA-N 368.380 4.022 50 30 FIGC CC(C)(O[Si](C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 216114343 ANJATIKVFIBNNI-UHFFFAOYSA-N 364.396 4.182 50 30 FIGC in-vitro CCOP(OCC)(c1ccccc1)(c1ccccc1)c1ccccc1 100046461 VNDGDIVLUIAJCI-UHFFFAOYSA-N 352.414 4.419 50 30 FIGC N#C/C(=C\Nc1cccc(Cl)c1F)S(=O)(=O)c1ccc(Cl)cc1 1037462 NCIDIHBVQQIENG-FMIVXFBMSA-N 371.220 4.383 50 30 FIGC O=C(NNc1ccccc1C(F)(F)F)c1sccc1Br 1031137 GJKWXYNTLSEDTP-UHFFFAOYSA-N 365.174 4.286 50 30 FIGC O=C(C=Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)c(Cl)c1 2265269981 LAKUYZXLAOIIPD-UHFFFAOYSA-N 369.635 4.121 50 30 FIGC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ccc(F)cc1 1032746 QDZLZVHOEYROJU-UHFFFAOYSA-N 363.751 4.339 50 30 FIGC O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(Cl)c1 1043029 WFCFPUVBOSXBFQ-UHFFFAOYSA-N 350.127 4.164 50 30 FIGC