smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963092144 AJXAZDMRRXAIBP-KSSFIOAISA-N 365.857 3.863 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cncc(C)c3[nH]2)c1Cl 586929680 YKIYTGILACQEEL-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc(C)c2[nH]1 586925876 XVDFVLXVSKSYPD-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl 586926454 KYWHTFZOMBGNOV-UHFFFAOYSA-N 371.201 3.540 70 1 FHIF N#Cc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927990 NHIUZLNZJXSXCQ-UHFFFAOYSA-N 352.202 3.682 70 1 FHIF COc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586926070 GFRDNTVRJLSKEW-UHFFFAOYSA-N 357.218 3.819 70 1 FHIF Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2cc1[N+](=O)[O-] 586927095 CNBSKVXDWLBXQN-UHFFFAOYSA-N 365.798 3.682 70 1 FHIF CCc1ccc(-c2nc3cc(Cl)ncc3[nH]2)cc1S(=O)(=O)Cl 586926984 HPXCAXZDAXHXHB-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF CCc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586926717 DLDCMWSTJGKPSB-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF COc1ccc(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)c1 587918288 KQNVZTQZEMEHIK-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1Cl 586927332 LGEHHBUGQUDYGB-UHFFFAOYSA-N 367.217 3.687 70 1 FHIF Cc1cc(-c2nc3c(F)c(F)c(F)cc3[nH]2)ccc1S(=O)(=O)Cl 586927563 HAOGRHJXWKXVBU-UHFFFAOYSA-N 360.744 3.883 70 1 FHIF COc1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c12 586928724 HZKLPZSYQNRFOC-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1Cl 586927083 IPOCQOXHXOMLPR-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1Cl 586927588 HMGJDFPBMSTQCZ-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl 586926220 JFRAWNCUTSZEOW-UHFFFAOYSA-N 367.217 3.687 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(O)c3[nH]2)c1Cl 586928747 IIFNFAJMSVKZMO-UHFFFAOYSA-N 357.218 3.825 70 1 FHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587178153 SHHXKCPFOXISPF-UHFFFAOYSA-N 364.160 3.729 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1Cl 586927274 KBVAZTUAQXGFSK-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178047 NIWAUFICONMZDD-UHFFFAOYSA-N 370.789 3.559 70 1 FHIF COc1ccc(Cl)cc1C#CCc1ccc(S(=O)(=O)Cl)cc1 587918515 VEHRFHFMOWPBOH-UHFFFAOYSA-N 355.242 3.870 70 1 FHIF CCc1ccc(-c2nc3ccc(OC)cc3[nH]2)cc1S(=O)(=O)Cl 586927378 LWHXITVPLZLVOH-UHFFFAOYSA-N 350.827 3.728 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1Cl 586927158 JRAGFLMIVGBNTA-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1F 587916091 BXEJXOUDMGFGOD-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1Cl 586926719 DLQOKUZTRHZWHV-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(C#N)c1 587918575 XQCDOCWBFSAZHD-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF CCc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586927325 LFBDOVGGXSWEIP-UHFFFAOYSA-N 374.224 3.907 70 1 FHIF COc1cc(C#Cc2cc(Cl)ccc2OC)cc(S(=O)(=O)Cl)c1 587918095 ADJYURJMWPTARU-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF COc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2n1 586928782 IVLRSVHBOCGLCD-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF COc1ccc(Cl)cc1C#Cc1c(C)cccc1S(=O)(=O)Cl 587918408 QLZRSJXOUIKBPA-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2n1 586929719 ZHQPQFFMIKFBME-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF Cc1cc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2cc1[N+](=O)[O-] 587179923 BMVMMUYGJKVQSY-UHFFFAOYSA-N 369.761 3.758 70 1 FHIF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](Br)[C@@H]2O 4655374 ICCJJRSEGGYXMX-PXOUGSPUSA-N 351.284 3.983 70 1 FHIF biogenic O=S(=O)(Cl)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1Cl 586927556 GXBRAZACBQVXET-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF Nc1cnc(-c2ccc(-c3ccccc3O[C@H]3CCCNC3)cc2F)cn1 217830375 LOKBDTUZBZMZCJ-HNNXBMFYSA-N 364.424 3.663 70 1 FHIF OB1OCc2ccc(-n3cc(Sc4ccc(O)cc4)c4ccccc43)cc21 198432869 SDBXZLHXKBOHRD-UHFFFAOYSA-N 373.242 3.705 70 1 FHIF Nc1ncc(-c2ccc(-c3ccccc3O[C@H]3CCCNC3)cc2F)cn1 217830672 GBRWMWNBKQMHLY-INIZCTEOSA-N 364.424 3.663 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1OC 587918404 QARCIKFGVPSACC-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1C 587918429 RKBPCEKQYYJXDO-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccnc3[nH]2)c1Cl 586925294 DPVKHNAFZOBUBW-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF OB1OCc2ccc(-n3cc(Sc4ccccc4O)c4ccccc43)cc21 198432839 OSEPOZAGFMKPGM-UHFFFAOYSA-N 373.242 3.705 70 1 FHIF O=C(O)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928326 WUVSZEVSBRCJKC-UHFFFAOYSA-N 371.201 3.509 70 1 FHIF Cc1cnc(Cl)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 587177967 JLVHLNUEYRNGLN-UHFFFAOYSA-N 360.197 3.898 70 1 FHIF NC1=N[C@]2(c3cc(Br)ccc3OCC23CC3)c2cccc(F)c21 218008058 QVWGEWNOPBCBAV-SFHVURJKSA-N 373.225 3.723 70 1 FHIF CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587181076 QWVHNCCQKCQAIU-UHFFFAOYSA-N 352.774 3.744 70 1 FHIF COc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1OC 587177840 BUJHYALGXYTLAU-UHFFFAOYSA-N 370.789 3.559 70 1 FHIF C[C@H]1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc2OC(=O)CC1 206024167 MDLKXIDIWGUXCP-JTQLQIEISA-N 366.357 3.573 70 3 FHIF CCc1ccc(-c2nc3cc(OC)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586927988 VJWJQGVNQUAIQL-UHFFFAOYSA-N 368.817 3.868 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)ncc3[nH]2)ccc1Cl 586926436 AFBDTXQMGJXSKY-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cccc(CS(=O)(=O)Cl)c1 587918247 IOVYKZHKIWKVEC-UHFFFAOYSA-N 355.242 3.817 70 1 FHIF O=C(O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927338 FPNIUFYNVJVDFF-UHFFFAOYSA-N 371.201 3.509 70 1 FHIF CCc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586927839 SIRSZYQVKJPRFG-UHFFFAOYSA-N 356.781 3.998 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(C#N)ccc1S(=O)(=O)Cl 587918196 GEIIISUMUUUDFM-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](Br)[C@@H]2O 29345430 ICCJJRSEGGYXMX-YLALRLGGSA-N 351.284 3.983 70 1 FHIF biogenic CCc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1S(=O)(=O)Cl 586928021 WMAAOQHCWNMJPN-UHFFFAOYSA-N 356.781 3.998 70 1 FHIF N#Cc1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586927328 FFJDUQIGYPMAFK-UHFFFAOYSA-N 352.202 3.682 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1S(=O)(=O)Cl 587916369 IOYWADVONFWVFT-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF C[C@@H](C(=O)Nc1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587468 DPPHPHLVNVYQAW-LLVKDONJSA-N 373.352 3.657 70 1 FHIF Cc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12 218580689 KEXLKHXDJQQDPL-NRFANRHFSA-N 359.473 3.739 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(CO)cc3[nH]2)c1Cl 586929391 USCFIPIOMPCQIO-UHFFFAOYSA-N 371.245 3.612 70 1 FHIF N#Cc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586926340 KQMNVTGBOYGNID-UHFFFAOYSA-N 352.202 3.682 70 1 FHIF COc1ccc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)c1 587918173 FDECWIYVXKOCPW-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl 165310484 RSIIKWFUMMKNRU-JRBPQWBISA-N 368.901 3.764 70 1 FHIF Cc1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c(C)n1 586925861 BVPWYEFCGIGSQC-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF Cc1c(F)ccc2c1[C@](C)(c1ccc(F)c(S(=O)(=O)Cl)c1)NCC2 962373793 JSHJCSVALAROEQ-KRWDZBQOSA-N 371.836 3.610 70 1 FHIF Cc1cnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 586929345 UBXKDGVTCZAXNF-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(CS(=O)(=O)Cl)c(F)c1 587916041 AVLIFRFOSJFPPR-UHFFFAOYSA-N 373.232 3.956 70 1 FHIF O=S(=O)(Cl)c1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963099275 JKGQHBGCNLXDAC-CRAIPNDOSA-N 365.857 3.863 70 1 FHIF Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)c2ccncc2)cn1 217373411 HZECEGAQKXABBD-INIZCTEOSA-N 370.815 3.534 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(CS(=O)(=O)Cl)cc1 587918407 QJIHKIXUTYYPGM-UHFFFAOYSA-N 355.242 3.817 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1C#N 587918459 SEBAIMPTKAVGIZ-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF Cc1cc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)ccc1S(=O)(=O)Cl 586927693 JFIWSBRKOWJWKJ-UHFFFAOYSA-N 366.229 3.991 70 1 FHIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnccc3[nH]2)c1Cl 586926109 MMXMFWPTELMXFB-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586927339 FQDLBYPITCAYGN-UHFFFAOYSA-N 357.218 3.819 70 1 FHIF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c(C)n1 586927798 KOXWCNSLTVDNFU-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C#N)cc3[nH]2)c1Cl 586928826 KVLXUDTXXMGUKS-UHFFFAOYSA-N 366.229 3.991 70 1 FHIF CC=C(NC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 2356875750 ZTLIVDUGMXTKIA-UHFFFAOYSA-N 367.270 3.716 70 1 FHIF COc1nccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c12 586928590 DYXPVGCYCXJPBM-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C)nc2[nH]1 586924705 HJQTZTWRYULTCW-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF CCc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1S(=O)(=O)Cl 586928106 YVTMBCYRMUEABM-UHFFFAOYSA-N 350.827 3.728 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccccc2[nH]1 586924378 DAJVERURIADYBS-UHFFFAOYSA-N 357.218 3.819 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(O)cc2[nH]1 586924488 FNYHMMGSSMCGFV-UHFFFAOYSA-N 373.217 3.525 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)ccnc2[nH]1 586924316 AHUSGHUKZFTQDQ-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF O=S(=O)(Cl)c1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963099283 JKGQHBGCNLXDAC-YJBOKZPZSA-N 365.857 3.863 70 1 FHIF CCc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1S(=O)(=O)Cl 586927642 PUYHBLNMORZTRM-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(CS(=O)(=O)F)c(F)c1 587917506 KZSABZJPWGZJNS-UHFFFAOYSA-N 356.777 3.687 70 1 FHIF Cc1cccc(-c2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn3c2)c1 218633643 HCPGWJLFQKDJNO-QFIPXVFZSA-N 359.473 3.739 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(O)c2[nH]1 586925508 RVESOGGFDKLFNH-UHFFFAOYSA-N 373.217 3.525 70 1 FHIF Cc1c(F)ccc2c1[C@@](C)(c1ccc(F)c(S(=O)(=O)Cl)c1)NCC2 962373799 JSHJCSVALAROEQ-QGZVFWFLSA-N 371.836 3.610 70 1 FHIF CCCN1CCC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)CC1 95588188 MGMFHKURJDAQBG-UHFFFAOYSA-N 351.390 3.504 70 1 FHIF O=S(=O)(Cl)c1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1 963092137 AJXAZDMRRXAIBP-KDOFPFPSSA-N 365.857 3.863 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1F 587916237 HCNBBEVVSIUSKZ-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1Cl 586927212 DOLOYJNKJQKIAA-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF O=[N+]([O-])c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586926609 BPSIXFVIQSQTGC-UHFFFAOYSA-N 372.189 3.719 70 1 FHIF COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cn1 586928594 FFAPHAFAHPBWNK-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1Cl 586928267 SWUBSMVOGSSKJT-UHFFFAOYSA-N 371.201 3.540 70 1 FHIF CC(=O)[C@]1(O)[C@@H](Cl)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2130415 FCNFDODVDQKBAV-AFYPPJMBSA-N 368.945 3.927 70 1 FHIF biogenic N#Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927548 OKPJMJCBHRWXAQ-UHFFFAOYSA-N 352.202 3.682 70 1 FHIF CCc1ccc(-c2nc3ccc(C(C)=O)cc3[nH]2)cc1S(=O)(=O)Cl 586928049 XHSCZTKYSBUOEV-UHFFFAOYSA-N 362.838 3.922 70 1 FHIF Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)c2ccncc2)cn1 217373495 HZECEGAQKXABBD-MRXNPFEDSA-N 370.815 3.534 70 1 FHIF O=[N+]([O-])c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586925649 AEDNLPNFWCBVTQ-UHFFFAOYSA-N 372.189 3.719 70 1 FHIF CN(C(=O)[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 218172420 IUXVCTUYOBXAFQ-FDFHNCONSA-N 369.553 3.516 70 1 FHIF COc1ccc(Cl)cc1C#Cc1c(F)cccc1S(=O)(=O)Cl 587914672 AYIVIPFFHGSNOR-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(F)c2F)n1 218484061 NSHCKSJTQVOOCR-SMDDNHRTSA-N 362.380 3.909 70 1 FHIF COc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1F 587178143 RSZFSLOPZHIZOC-UHFFFAOYSA-N 358.753 3.689 70 1 FHIF Fc1ccc2onc(C3CCN(c4ccc(-c5cn[nH]c5)nn4)CC3)c2c1 218764425 DSIPXIRVDZIXGR-UHFFFAOYSA-N 364.384 3.531 70 1 FHIF CCCN1CCC(c2ccccc2OS(=O)(=O)C(F)(F)F)CC1 95588307 VLKDFZOMFXZXEJ-UHFFFAOYSA-N 351.390 3.504 70 1 FHIF COc1cc2c(Nc3ccc(F)cc3)nnnc2cc1OCCCCl 118205836 GLAOCWPSCOESRZ-UHFFFAOYSA-N 362.792 3.924 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cnc3[nH]2)c1Cl 586926178 IKMHKNWNVPYKES-UHFFFAOYSA-N 360.197 3.653 70 1 FHIF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1F 587177911 GJDPWTCDCHCSNT-UHFFFAOYSA-N 373.724 3.589 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)Cl)c1C 587918165 DURWBOQZEPAVIE-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(F)c(S(=O)(=O)Cl)c1 587914619 AAXLSLKNIIEZMH-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(F)c1 587916403 KNPBHXDHESALKH-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(C#N)cc(S(=O)(=O)Cl)c1 587918440 RPIWLVGJKKWEEM-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1S(=O)(=O)Cl 587918291 KTSWQHBLVTUSBA-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3cncc(Cl)c3[nH]2)cc1Cl 586928282 UOFJZQALJZPEIU-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(C)cc(S(=O)(=O)Cl)c1 587918579 XXVLNKJIYYQGLF-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cccc(F)c1S(=O)(=O)Cl 587915655 RMIPOGZVSOAGQW-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF CCc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl 586926912 HBNOOYXIFXVAAH-UHFFFAOYSA-N 365.798 3.628 70 1 FHIF COc1cccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c1 218195132 GHLHLYYWQCKTBW-OAQYLSRUSA-N 352.478 3.533 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(C#N)c(S(=O)(=O)Cl)c1 587918184 FQJJTPHWWHCWOV-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF Cc1cc(-c2nc3c(Cl)ncc(C)c3[nH]2)ccc1S(=O)(=O)Cl 586927497 FTLGNHQLZHEFGP-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF CCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1S(=O)(=O)Cl 586926438 AFTKQJXVRATUEB-UHFFFAOYSA-N 365.798 3.628 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(S(=O)(=O)Cl)c1 587918148 CURFDVICRKBIMR-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)Cl)c1C#N 587918321 MZZNRRXZERHDNV-UHFFFAOYSA-N 366.225 3.548 70 1 FHIF O=C(O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586927543 ZUXOXNZXJQWEJY-UHFFFAOYSA-N 371.201 3.509 70 1 FHIF O=C(O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926758 FAFVDHFFBABUIF-UHFFFAOYSA-N 371.201 3.509 70 1 FHIF CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 218172345 IUXVCTUYOBXAFQ-FKBYEOEOSA-N 369.553 3.516 70 1 FHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587178092 PPDRZIAIJDCGHA-UHFFFAOYSA-N 364.707 3.959 70 1 FHIF Cc1ccc(S(=O)(=O)Cl)cc1C(=O)c1coc2cc(C#N)ccc12 587279348 GPDOXWAKCXKWGH-UHFFFAOYSA-N 359.790 3.771 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(C)ccnc3[nH]2)c1Cl 586928497 BDHHFIJUGQPCIY-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF COc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927728 QYOMETLOJSJTFN-UHFFFAOYSA-N 357.218 3.819 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(O)cc3[nH]2)c1Cl 586929006 OSGKBXDACZQBLH-UHFFFAOYSA-N 357.218 3.825 70 1 FHIF CCc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1S(=O)(=O)Cl 586927972 UZZKWYFJGCSVPA-UHFFFAOYSA-N 360.826 3.596 70 1 FHIF Cc1ccccc1-c1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn2c1 218633762 WXSLMDAURKAHAN-QFIPXVFZSA-N 359.473 3.739 70 1 FHIF O=S(=O)(Cl)c1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1 963092151 AJXAZDMRRXAIBP-RDTXWAMCSA-N 365.857 3.863 70 1 FHIF Cc1cc(-c2nc3c(Cl)ncc(F)c3[nH]2)ccc1S(=O)(=O)Cl 586927649 IIGQHKMUGAYFEU-UHFFFAOYSA-N 360.197 3.653 70 1 FHIF NC1=N[C@@]2(c3cc(Br)ccc3OCC23CC3)c2cccc(F)c21 218007988 QVWGEWNOPBCBAV-GOSISDBHSA-N 373.225 3.723 70 1 FHIF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](Br)[C@H]2O 40368563 ICCJJRSEGGYXMX-YRDXOGEASA-N 351.284 3.983 70 1 FHIF biogenic Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C#N)c3[nH]2)c1Cl 586928805 JXQVIBQTCGCZQN-UHFFFAOYSA-N 366.229 3.991 70 1 FHIF O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl 137014052 OJIHIXUIWYZIKX-DODZYUBVSA-N 354.874 3.676 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(F)cc(S(=O)(=O)Cl)c1 587916021 AMDNKZDOAFPNQU-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF COc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1C 586928265 SUEITBJWOYENEW-UHFFFAOYSA-N 350.827 3.783 70 1 FHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(C)nccc3[nH]2)c1Cl 586928883 LFVMIPBMHFRIHD-UHFFFAOYSA-N 356.234 3.823 70 1 FHIF C[C@@H]1CCCc2cc(OS(=O)(=O)C(F)(F)F)ccc2OC(=O)CC1 206024145 MDLKXIDIWGUXCP-SNVBAGLBSA-N 366.357 3.573 70 3 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)nccc2[nH]1 586925189 MRHVKWAYHTUIDR-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1C 587918581 XZWZBWVKHAYGMV-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF CCCN1CCC[C@@H](c2ccccc2OS(=O)(=O)C(F)(F)F)C1 36187786 IQMKIUFAVWKRQY-GFCCVEGCSA-N 351.390 3.504 70 1 FHIF O=S(=O)(Cl)c1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963099277 JKGQHBGCNLXDAC-MAUKXSAKSA-N 365.857 3.863 70 1 FHIF CCc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1S(=O)(=O)Cl 586927353 LLYLDDKLFFWKIP-UHFFFAOYSA-N 356.781 3.998 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)ncc3[nH]2)cc1Cl 586927179 DEWZLGOLRSBQNB-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF O=[N+]([O-])c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586927278 KHIHFWYBFBCQCN-UHFFFAOYSA-N 372.189 3.719 70 1 FHIF CCc1ccc(-c2nc3cncc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586927741 RAUSJYNIAJHFOI-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF O=S(=O)(Cl)c1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963092129 AJXAZDMRRXAIBP-KBXCAEBGSA-N 365.857 3.863 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(C)c(S(=O)(=O)Cl)c1 587918593 YLVZDUHJKRBLHX-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927439 YQKYAVAQTZRJJO-UHFFFAOYSA-N 372.189 3.719 70 1 FHIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl 145197589 ZZYCFRJEFHHTSN-IFXLXSALSA-N 366.885 3.540 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(F)cc1S(=O)(=O)Cl 587916723 PGWGUVDKORTUDF-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF O=S(=O)(Cl)c1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1Cl 586928065 XSRUQQHSALFNQT-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(OC)c1 587918159 DLSBBWAGMFMBKL-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(C)c1 587918583 YDSXUWXSARUBCA-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)ccc1S(=O)(=O)Cl 586927676 ISNRQLVUOKLCFR-UHFFFAOYSA-N 369.761 3.513 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(C)cc1S(=O)(=O)Cl 587918213 HAMIBYOMKILUDL-UHFFFAOYSA-N 355.242 3.984 70 1 FHIF O=S(=O)(Cl)c1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963099279 JKGQHBGCNLXDAC-QAPCUYQASA-N 365.857 3.863 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)Cl)c1F 587916143 DFXDPVINGMFHSP-UHFFFAOYSA-N 359.205 3.815 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1OC 587918241 IFLLGABRFZMXPS-UHFFFAOYSA-N 371.241 3.685 70 1 FHIF Cc1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)c1 218607959 SHQQVEHSZWXNPU-NRFANRHFSA-N 359.473 3.739 70 1 FHIF CCc1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1S(=O)(=O)Cl 586927976 VGVLFYZNCMSOFP-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF COc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927962 MYUKQADXUTWUSJ-UHFFFAOYSA-N 357.218 3.819 70 1 FHIF COc1ccc(Cl)cc1C#Cc1ccccc1CS(=O)(=O)Cl 587918140 CJLPXXUJBDENIK-UHFFFAOYSA-N 355.242 3.817 70 1 FHIF Cc1ccc(Cl)c(C(=O)NCC2(c3ccc(C)nc3)CCOCC2)c1 217359630 AULWKBUDPZVQJH-UHFFFAOYSA-N 358.869 3.830 70 1 FHIF COc1ccc(Cl)cc1C#Cc1cc(F)ccc1CS(=O)(=O)Cl 587916046 BBXNDMIHTASPAF-UHFFFAOYSA-N 373.232 3.956 70 1 FHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C)cnc2[nH]1 586924618 GPWNNTGKKOWGEL-UHFFFAOYSA-N 372.233 3.523 70 1 FHIF O=S(=O)(Cl)c1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1Cl 586928257 SKOPGUOMPUSNEM-UHFFFAOYSA-N 362.625 3.859 70 1 FHIF CCCN1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1 36216526 QBBNRIPQRWMMNR-CYBMUJFWSA-N 351.390 3.504 70 1 FHIF COc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1C 587177818 AXPPBROADCNZNQ-UHFFFAOYSA-N 354.790 3.859 70 1 FHIF COc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1F 586928347 XZFOUPIGZZDEQX-UHFFFAOYSA-N 354.790 3.614 70 1 FHIF CCc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1S(=O)(=O)Cl 586928100 YTXAVZZKTBNCGE-UHFFFAOYSA-N 356.234 3.768 70 1 FHIF CC(=O)[C@]1(O)[C@H](Cl)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2130416 FCNFDODVDQKBAV-KWHXHVTNSA-N 368.945 3.927 70 1 FHIF biogenic