smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 586924981 KISGAAZRBGWKCY-UHFFFAOYSA-N 415.254 3.591 70 1 HHIF COc1cc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925412 PDVITYLWRGUDAM-UHFFFAOYSA-N 419.261 3.891 70 1 HHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587178163 SSHBIRLKKGDUGJ-UHFFFAOYSA-N 415.155 3.955 70 1 HHIF CCc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1S(=O)(=O)Cl 586927249 JUHWQGLMDRWQRO-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586928297 VCIQSKFBWYSZMP-UHFFFAOYSA-N 402.215 3.728 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(S(=O)(=O)F)cc1 587894806 BBUIXTCULIQYLL-UHFFFAOYSA-N 414.285 3.556 70 1 HHIF NC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925376 FCFHOGPJZNJRJC-UHFFFAOYSA-N 404.662 3.563 70 1 HHIF N=C(N)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925542 GEQIBJCFGNZKHO-UHFFFAOYSA-N 403.678 3.748 70 1 HHIF CCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1S(=O)(=O)Cl 586926814 GALPZEDGFZJVQG-UHFFFAOYSA-N 410.795 3.536 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(OC)cc1OC 587918434 RLSISOPWXLHMQH-UHFFFAOYSA-N 401.267 3.693 70 1 HHIF COc1cc(Cc2nc3ccc4ncccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925456 PQSGHGPJMTXCSY-UHFFFAOYSA-N 417.874 3.647 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)Cl 587915799 USLXLAWLVJYYEA-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF O=S(=O)(Cl)C1CCC2(CC1)NC1(CC1)Cc1ccc(Br)cc12 961611775 DBBZJSGREZPBGJ-UHFFFAOYSA-N 404.757 3.834 70 1 HHIF CCOC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(S(=O)(=O)Cl)c1 587918172 FCOIAVZGWIYLSS-UHFFFAOYSA-N 413.278 3.853 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CC2 587918615 ZOKUGXFYZDYBIQ-UHFFFAOYSA-N 410.278 3.561 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Cl 586927547 OKKDTJDMZBAXIX-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1Cl 586927415 YJVFXNJEKWBBRW-UHFFFAOYSA-N 412.298 3.821 70 1 HHIF CN(C)CCOc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586928392 ZGNVJSVTCBXJQU-UHFFFAOYSA-N 414.314 3.751 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1S(=O)(=O)Cl 587896058 KPSUWZXPNYIXSI-UHFFFAOYSA-N 422.742 3.693 70 1 HHIF CCc1ccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1S(=O)(=O)Cl 586928056 XNNZMFUHIYLCOE-UHFFFAOYSA-N 408.863 3.515 70 1 HHIF CCc1ccc(-c2nc3cc(Br)ncc3[nH]2)cc1S(=O)(=O)Cl 586926517 AYPODNAQXJGFSB-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Cl 586928067 XSZNRNASVDCXNR-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=C(Nc1nnc(Sc2ccc(S(=O)(=O)Cl)cc2)s1)c1ccccc1 103274364 HTGPXRNDXZEABJ-UHFFFAOYSA-N 411.917 3.869 70 1 HHIF COC(=O)c1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2cc1OC 586927857 STLUYKDKYBZXGO-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Cl)c1 587915907 VEKDUNULAGXYRH-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Cl)c1 587895522 GDRZOJKRPIESAP-UHFFFAOYSA-N 416.713 3.631 70 1 HHIF C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571669 RONLXSBKRBKAIE-WIYYLYMNSA-N 414.410 3.927 70 1 HHIF Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1 218412615 QUQAVBRFCYCLKE-GHTZIAJQSA-N 416.529 3.964 70 1 HHIF COC(=O)c1cc(F)c(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)c1 587914697 GIJMMTYZOTWEQU-UHFFFAOYSA-N 417.241 3.602 70 1 HHIF C=CCc1cccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c12 586924669 GUEPBQUHXBEEPL-UHFFFAOYSA-N 406.891 3.827 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F 587915414 NXEOVQXJXNSQBY-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF COc1cc2c3c(c1)O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)[C@@H](C2)C3=O 587448598 KGEUMWGZDFHKGV-SCLBCKFNSA-N 413.278 3.939 70 1 HHIF COc1cc(Cc2nc3cccc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925903 YIJOFQPHTLWTFP-UHFFFAOYSA-N 401.271 3.752 70 1 HHIF C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 217640145 BLWOBXIQFDYTRF-ARFHVFGLSA-N 422.504 3.579 70 1 HHIF CCc1ccc(-c2nc3ccnc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927372 LSEJSXCFIJDYSD-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3cc(Br)ncc3[nH]2)ccc1Cl 586927478 NHLCYPPCGQSEOJ-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Cl 586928254 SIMRMTHIEDUTOU-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587451383 XRJPRCBOZUQBOH-JXFKEZNVSA-N 404.871 3.602 70 1 HHIF CCc1ccc(-c2nc3c(Br)ccnc3[nH]2)cc1S(=O)(=O)Cl 586926418 AAUGOWIFRNPKOZ-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF CN(C)CCOc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926804 FSCFGQSGVBKGTB-UHFFFAOYSA-N 414.314 3.751 70 1 HHIF COc1cc(Cc2nc3ccc(SC)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924297 ADAVKLZWFJEDJM-UHFFFAOYSA-N 412.920 3.820 70 1 HHIF COc1ccccc1-c1nncc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 218622194 BUYVEFSBXRCPHY-UHFFFAOYSA-N 416.459 3.702 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1Cl 586927385 XVKOSCYSPREECU-UHFFFAOYSA-N 403.218 3.957 70 1 HHIF COc1cc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925952 ZJOFHOLGRNRNAE-UHFFFAOYSA-N 423.922 3.791 70 1 HHIF COc1cc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc(S(=O)(=O)Cl)c1OC 586925114 LVSKQMCTVRTYBF-UHFFFAOYSA-N 420.918 3.977 70 1 HHIF COc1ccc(Cl)cc1C#Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Cl 587914773 HGFKRHLQVDOBFQ-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)ccc1S(=O)(=O)Cl 586928395 ZHYCEYSHYBDLJY-UHFFFAOYSA-N 411.192 3.928 70 1 HHIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)cc1F 587914738 CKKGHBAXICKQBQ-UHFFFAOYSA-N 417.241 3.602 70 1 HHIF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)O2 587383577 STQBQVZRTPLKBK-QGZVFWFLSA-N 415.389 3.686 70 1 HHIF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447694 CYQXQPWSLZAXEI-MGFDPJTISA-N 410.919 3.576 70 1 HHIF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCc2ccc(S(=O)(=O)Cl)cc21 963642406 YLQNWNMYJDXPNJ-ZSEKCTLFSA-N 421.946 3.745 70 1 HHIF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447695 CYQXQPWSLZAXEI-MLGOKKRCSA-N 410.919 3.576 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 586925530 SKSQDJYQWRWSHJ-UHFFFAOYSA-N 417.661 3.739 70 1 HHIF CC(C)(C)[Si](F)(c1cccc(C(=O)NCCn2ccnc2[N+](=O)[O-])c1)C(C)(C)C 205856065 XQJFXJQMIIIJJJ-UHFFFAOYSA-N 420.561 3.944 70 1 HHIF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447693 CYQXQPWSLZAXEI-GREUMRBKSA-N 410.919 3.576 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586924841 JWLRNNYEOGSVES-UHFFFAOYSA-N 419.217 3.657 70 1 HHIF COc1ccc(Cl)cc1C#Cc1ccc(-n2cc(S(=O)(=O)Cl)cn2)cc1 587918435 RMKPQRJQMAWMRZ-UHFFFAOYSA-N 407.278 3.862 70 1 HHIF CC1(C)Oc2ccc(-c3cc(F)cc(Cl)c3)cc2[C@]2(COC(N)=N2)C12COC2 218011076 VELBUBIDIGYSLN-OAQYLSRUSA-N 402.853 3.874 70 1 HHIF COc1ccc(Cl)cc1C#Cc1c(C(=O)O)cc(F)cc1S(=O)(=O)Cl 587916597 OBFIXORVKPXERG-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF CCOC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)ccc1S(=O)(=O)Cl 587918149 CWGTYUXJAOQZJH-UHFFFAOYSA-N 413.278 3.853 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1Cl 586927482 NPOXFZVRRKXCFT-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COc1cc(Cc2nc3cnc4ccccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924630 GRINOBXAHJFDRW-UHFFFAOYSA-N 417.874 3.647 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)cc1S(=O)(=O)Cl 587918587 YJZRMNKKZYAQKB-UHFFFAOYSA-N 401.267 3.693 70 1 HHIF COc1cc2c3c(c1)O[C@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587450208 RXKRZPNTIDSKAU-JXFKEZNVSA-N 406.887 3.922 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)ncc3[nH]2)cc1Cl 586927873 LFVGODDODPVPRM-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586927999 NPVTVAUQVPZJFF-UHFFFAOYSA-N 402.215 3.728 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586925910 YPORLIPWTVPNCF-AWEZNQCLSA-N 415.258 3.543 70 1 HHIF Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccsc1)(N1CCC[C@H](N)C1)C(=O)N2 218550035 REVXYXMYDPWVSB-HTAPYJJXSA-N 408.527 3.639 70 1 HHIF COc1cc(Cc2nc3ccc(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925507 RUYGVTNUCDFMAL-UHFFFAOYSA-N 401.271 3.752 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1F 587915962 XYNYPVBHGIDJAY-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF CCc1ccc(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc1S(=O)(=O)Cl 586926613 BREYSPHKXCYFDL-UHFFFAOYSA-N 412.920 3.513 70 1 HHIF COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1F 586924965 KGXQWKLCACJRNC-UHFFFAOYSA-N 405.234 3.967 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1 587894997 BNEROYYDHAZTJS-UHFFFAOYSA-N 416.713 3.631 70 1 HHIF C[C@@H]1CN(C)CC[C@@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 217491852 BLWOBXIQFDYTRF-OAGGEKHMSA-N 422.504 3.579 70 1 HHIF in-vitro C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571666 RONLXSBKRBKAIE-GHTZIAJQSA-N 414.410 3.927 70 1 HHIF C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571667 RONLXSBKRBKAIE-NQIIRXRSSA-N 414.410 3.927 70 1 HHIF COC(=O)c1ccnc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12 586925292 DOHTZRTXKVQXOO-UHFFFAOYSA-N 420.661 3.646 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3nc(Br)c[nH]c-3n2)c1Cl 586926323 KGRJKWOXPAYAKH-UHFFFAOYSA-N 422.091 3.623 70 1 HHIF COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1OC 586925492 RPNDTYFTGRUQCA-UHFFFAOYSA-N 417.270 3.837 70 1 HHIF Cc1cc(-c2ccc(F)cc2)c(/C=C/P(O)(O)=CC(=O)CC(=O)O)c(C(C)C)n1 169728621 SLZCPNQHBYDPJP-CMDGGOBGSA-N 419.389 3.968 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(S(=O)(=O)Cl)c1 587896682 SUIPHTGQFLGNFO-UHFFFAOYSA-N 422.742 3.693 70 1 HHIF Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1 218398549 PGWAAWMSURLNEZ-QFBILLFUSA-N 420.492 3.795 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)cc([N+](=O)[O-])c1C 587918424 RBDDDIFRFLCUQZ-UHFFFAOYSA-N 400.239 3.893 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl 587914712 BZJYBALISRSOPO-UHFFFAOYSA-N 404.202 3.723 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1Cl 586926107 GWJGMOPFUNJVEL-UHFFFAOYSA-N 403.218 3.957 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3cncc(Br)c3[nH]2)cc1Cl 586927106 CNOOGENMLGNJDT-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COc1ccc(Cl)cc1C#Cc1sc(C)c(S(=O)(=O)Cl)c1[N+](=O)[O-] 587918559 WQTPOQSHGQHWKQ-UHFFFAOYSA-N 406.268 3.954 70 1 HHIF COc1cc(C2(F)COC2)ccc1-c1nc(C)nc2cc(S(=O)(=O)Cl)ccc12 225057394 VDFDYDGLCRXXAH-UHFFFAOYSA-N 422.865 3.736 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 586925913 YPORLIPWTVPNCF-CQSZACIVSA-N 415.258 3.543 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCO3 586925428 PHDVAPQLPGGQRK-UHFFFAOYSA-N 401.227 3.548 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)OCCCO2 587918359 OMCAQHACWKXTQV-UHFFFAOYSA-N 413.278 3.837 70 1 HHIF COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc[nH]c4)ccc3C)cnc2[nH]1 217042536 UAARXTWABOMTPO-UHFFFAOYSA-N 403.442 3.850 70 1 HHIF Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-n2nccn2)c1 218545768 NRHWKUIGFDHGHH-MAUKXSAKSA-N 410.909 3.729 70 1 HHIF COc1c(OS(=O)(=O)C(F)(F)F)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36187810 LJVSVAFPJCZZNX-CQSZACIVSA-N 413.417 3.676 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(OC)c(S(=O)(=O)Cl)cc1OC 587918392 PPBFFGARRFAGQD-UHFFFAOYSA-N 401.267 3.693 70 1 HHIF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1[N+](=O)[O-] 586926498 LSXKSUGKFCLBKV-UHFFFAOYSA-N 417.186 3.627 70 1 HHIF CCS(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927627 PKFYLMWXKQXPJJ-UHFFFAOYSA-N 419.311 3.604 70 1 HHIF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447697 CYQXQPWSLZAXEI-WXJMYEGYSA-N 410.919 3.576 70 1 HHIF CC1(C)Oc2ccc(-c3cc(F)cc(Cl)c3)cc2[C@@]2(COC(N)=N2)C12COC2 218011161 VELBUBIDIGYSLN-NRFANRHFSA-N 402.853 3.874 70 1 HHIF COCCOc1ccc(C#Cc2cc(Cl)ccc2OC)cc1S(=O)(=O)Cl 587918375 OZRIQMUGVPFILG-UHFFFAOYSA-N 415.294 3.701 70 1 HHIF CCOC(=O)c1ccc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)c1 587918175 FITUOTBTSPOPMU-UHFFFAOYSA-N 413.278 3.853 70 1 HHIF COc1cc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925721 VJNSWIKGRZDKRT-UHFFFAOYSA-N 424.906 3.886 70 1 HHIF O=C(COc1ccc(Br)cc1)NCC(=S)Nc1c(F)cccc1F 217489557 FJXSCIXIDOBTDP-UHFFFAOYSA-N 415.259 3.662 70 1 HHIF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)O2 587383574 STQBQVZRTPLKBK-KRWDZBQOSA-N 415.389 3.686 70 1 HHIF COc1cc2c3c(c1)O[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587450209 RXKRZPNTIDSKAU-OXJNMPFZSA-N 406.887 3.922 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])cc1F 587915098 IURLCGSOJDODHL-UHFFFAOYSA-N 404.202 3.723 70 1 HHIF Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586927691 JBQRPKHJKKDZKP-UHFFFAOYSA-N 400.685 3.932 70 1 HHIF O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCOCC1)c1c(F)cccc1Cl 217370582 NTYHFLCIEDUDEI-UHFFFAOYSA-N 417.790 3.766 70 1 HHIF CCc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1S(=O)(=O)Cl 586926653 CJSKPNMPIWRLFX-UHFFFAOYSA-N 407.923 3.660 70 1 HHIF CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927460 MYSSKKBRNQAPFE-UHFFFAOYSA-N 413.282 3.916 70 1 HHIF CCc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1S(=O)(=O)Cl 586926798 FNZZSTRSAPECDW-UHFFFAOYSA-N 419.934 3.552 70 1 HHIF COC(=O)c1cccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c12 586925955 ZMKUYCRVVOMNFC-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F 587915970 YDSQQQLGZDGXCA-UHFFFAOYSA-N 404.202 3.723 70 1 HHIF COC(=O)c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cn1 586925626 HTDHZLUWKNJFRV-UHFFFAOYSA-N 420.661 3.646 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Cl 586926562 MIZLMEVBCZIMQF-UHFFFAOYSA-N 411.192 3.880 70 1 HHIF COc1cc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925812 WJNDAXJAZPNOEL-UHFFFAOYSA-N 420.796 3.516 70 1 HHIF Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 586927361 XKYHGHBLKXGWAO-UHFFFAOYSA-N 422.091 3.551 70 1 HHIF Cc1cc(-c2nc3c(Br)ncc(F)c3[nH]2)ccc1S(=O)(=O)Cl 586928069 PDEZJWCNYFCANU-UHFFFAOYSA-N 404.648 3.762 70 1 HHIF C[C@H]1[C@H](Nc2nc3ccccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1 218476862 SIBRFYCKBHQYAI-DOTOQJQBSA-N 402.458 3.514 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 586925295 NZOQEMHNJBYXRL-UHFFFAOYSA-N 401.227 3.518 70 1 HHIF COC(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 586925475 QWVNNVYVIXOFAT-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF O=C(COc1ccc(Oc2ccccc2)cc1)NCC(=O)Nc1c(F)cccc1F 217488583 GRVNQNJFQOJWCB-UHFFFAOYSA-N 412.392 3.891 70 1 HHIF CCc1ccc(-c2nc3ccc(Br)nc3[nH]2)cc1S(=O)(=O)Cl 586927706 QMTLVRPWWZDRSQ-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF CCOC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)c1 587918106 ANWFUKDIBGATFX-UHFFFAOYSA-N 413.278 3.853 70 1 HHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnccc3[nH]2)c1 586927343 XGACSQOKPZHVCG-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccnc3[nH]2)c1 586927014 SXVGIKSRDUSGFK-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF CCOc1ccc(C)nc1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218363680 HBQVLSLDECXOPX-FRFSOERESA-N 421.419 3.885 70 1 HHIF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccsc1)(N1CCC[C@H](N)C1)C(=O)N2 218550101 REVXYXMYDPWVSB-JTSKRJEESA-N 408.527 3.639 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3ccnc(Br)c3[nH]2)cc1Cl 586927112 COIIRMXNYQTZNZ-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)s1 587896179 LXYSEEAHYYMWMN-UHFFFAOYSA-N 422.742 3.693 70 1 HHIF Cc1cc(-c2nc3ncc(Br)c(C)c3[nH]2)ccc1S(=O)(=O)Cl 586928031 NXTKRIDHBFYPBI-UHFFFAOYSA-N 400.685 3.932 70 1 HHIF COc1cc2c3c(c1)O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)[C@@H](C2)C3=O 587448599 KGEUMWGZDFHKGV-UGSOOPFHSA-N 413.278 3.939 70 1 HHIF CCc1ccc(-c2nc3cncc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927487 NQPXWYJFEKYONH-UHFFFAOYSA-N 400.685 3.877 70 1 HHIF COC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1OC 586928350 YAMIENBJAUPOGI-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587177982 KGSMYEYMKTXWGY-UHFFFAOYSA-N 408.611 3.838 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 586925341 OPGUDCGEKVOHHW-UHFFFAOYSA-N 407.238 3.563 70 1 HHIF CCOC(=O)Cc1ccc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926895 GYZUMQPBISAFBQ-UHFFFAOYSA-N 406.891 3.825 70 1 HHIF NC(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586926045 KUHMIOIDZFKJHL-UHFFFAOYSA-N 404.662 3.563 70 1 HHIF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447872 FRKQIBKFWOLVHX-KPZWWZAWSA-N 413.278 3.939 70 1 HHIF CCOC(=O)Cc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927574 HGQPJSZUVFNEHF-UHFFFAOYSA-N 413.282 3.916 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)nc3[nH]2)cc1Cl 586928020 NVNSCEVVWUKWGI-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCc2ccc(S(=O)(=O)Cl)cc21 963642401 YLQNWNMYJDXPNJ-LRTDBIEQSA-N 421.946 3.745 70 1 HHIF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCc2ccc(S(=O)(=O)Cl)cc21 963642368 YLQNWNMYJDXPNJ-ASSNKEHSSA-N 421.946 3.745 70 1 HHIF COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1C#Cc1cc(Cl)ccc1OC 587915697 SVUMQPOEHPYYCW-UHFFFAOYSA-N 417.241 3.602 70 1 HHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)Cl 587895683 GUPMHDSDDSJVPX-UHFFFAOYSA-N 416.713 3.631 70 1 HHIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1Cl 586925644 IKAAFXATRQBLMX-UHFFFAOYSA-N 405.690 3.999 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586925509 RVNWZAIQZHWCPO-UHFFFAOYSA-N 420.205 3.867 70 1 HHIF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447696 CYQXQPWSLZAXEI-QTRFMYMGSA-N 410.919 3.576 70 1 HHIF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447873 FRKQIBKFWOLVHX-SGTLLEGYSA-N 413.278 3.939 70 1 HHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1 586925755 AXYPFTZUNCFSJI-UHFFFAOYSA-N 423.075 3.674 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(C)cc1NC(C)=O 587918348 NSGNDTNRMXHPAH-UHFFFAOYSA-N 412.294 3.943 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(C)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] 587918124 BPDGKCAQBOXQDD-UHFFFAOYSA-N 400.239 3.893 70 1 HHIF COc1ccc(Cl)cc1C#Cc1ccc2nc(Cl)c(S(=O)(=O)Cl)n2c1 587918307 LUYLJHOQKZEXFX-UHFFFAOYSA-N 415.685 3.977 70 1 HHIF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)O2 587410666 VLRGTONNKLLSOX-GOSISDBHSA-N 412.294 3.965 70 1 HHIF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587451389 XRJPRCBOZUQBOH-OXJNMPFZSA-N 404.871 3.602 70 1 HHIF COC(=O)c1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2cc1OC 586928393 ZGVZPKKHMWFHJB-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF Cc1cc(-c2ccc(F)cc2)c(/C=C\P(O)(O)=CC(=O)CC(=O)O)c(C(C)C)n1 169728620 SLZCPNQHBYDPJP-HJWRWDBZSA-N 419.389 3.968 70 1 HHIF COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C#Cc1cc(Cl)ccc1OC 587917075 ZJTCJGJSSLDHSN-UHFFFAOYSA-N 417.241 3.602 70 1 HHIF COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1OC 586927129 JIAVBGMIJHXIIF-UHFFFAOYSA-N 415.254 3.606 70 1 HHIF COc1cc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925143 MGUQSBLTTNWWRS-UHFFFAOYSA-N 419.261 3.891 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Cl 586927382 LWRWONXCPHGVKH-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=S(=O)(Cl)c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Cl 586927690 QJFHEMLGLHQYRK-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178096 PRHYVUODZSIGFE-UHFFFAOYSA-N 403.218 3.982 70 1 HHIF Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl 586926981 BUCFUZKKIYHMMJ-UHFFFAOYSA-N 401.669 3.934 70 1 HHIF OCc1ccc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)cn1 218765218 NOUJJJOVSSPUGB-UHFFFAOYSA-N 405.433 3.695 70 1 HHIF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCc2ccc(S(=O)(=O)Cl)cc21 963642404 YLQNWNMYJDXPNJ-YEJXKQKISA-N 421.946 3.745 70 1 HHIF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O 587447692 CYQXQPWSLZAXEI-FINPGKJESA-N 410.919 3.576 70 1 HHIF CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926701 OJNQWIYCTOYWDA-UHFFFAOYSA-N 419.311 3.604 70 1 HHIF O=[N+]([O-])c1cncc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925792 KEEIVTYTPKEYRO-UHFFFAOYSA-N 407.622 3.767 70 1 HHIF O=S(=O)(Cl)c1ccc(-c2nc3c(Br)ccnc3[nH]2)cc1Cl 586928258 SLYHCRFHEYYJAS-UHFFFAOYSA-N 407.076 3.968 70 1 HHIF O=[N+]([O-])c1cnc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 586927517 ZMRDTFQLDOQRGQ-UHFFFAOYSA-N 407.622 3.767 70 1 HHIF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)O2 587410667 VLRGTONNKLLSOX-SFHVURJKSA-N 412.294 3.965 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586924364 CSBNNVZLJCKXBN-UHFFFAOYSA-N 419.217 3.657 70 1 HHIF COc1cc(OC)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 586925035 KVLJEJJUXPGIMS-UHFFFAOYSA-N 417.270 3.837 70 1 HHIF O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1[N+](=O)[O-] 586927582 OLTKZWXEQXXQBP-UHFFFAOYSA-N 417.186 3.627 70 1 HHIF COc1ncc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)cn1 218765269 DZBMZRDZHLMPON-UHFFFAOYSA-N 406.421 3.607 70 1 HHIF COc1c(F)cccc1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218548989 RYMOHHYAOSEKIU-HFBAOOFYSA-N 410.367 3.930 70 1 HHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1Cl 586928475 AOLVFXCAUUBELF-UHFFFAOYSA-N 419.311 3.523 70 1 HHIF C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571668 RONLXSBKRBKAIE-RXVVDRJESA-N 414.410 3.927 70 1 HHIF CCc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1S(=O)(=O)Cl 586928109 YWIFRMPIGVQKDB-UHFFFAOYSA-N 408.863 3.515 70 1 HHIF COc1ccc(Cl)cc1C#Cc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)O 587915356 LZNZEUJYMXJOIO-UHFFFAOYSA-N 403.214 3.513 70 1 HHIF COC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1 586925347 DTCPQVNULSUHNJ-UHFFFAOYSA-N 420.661 3.646 70 1 HHIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)s1 587918302 LNUVZIZBWDMBBQ-UHFFFAOYSA-N 405.280 3.524 70 1 HHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C(=O)O)c2[nH]1 586924419 DJCDJYRUTUTVSY-UHFFFAOYSA-N 401.227 3.518 70 1 HHIF COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)s1 587918517 VFPNCSAGFFVVOQ-UHFFFAOYSA-N 405.280 3.524 70 1 HHIF