smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1C[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 587530086 DKYIRLQVGBBLCQ-NRFANRHFSA-N 402.899 4.300 70 1 HIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1Cl 586925329 DRDXVGQKQUISOU-UHFFFAOYSA-N 401.662 4.341 70 1 HIIF Cc1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2cc1[N+](=O)[O-] 586928455 AAZDXMUNTZSFHQ-UHFFFAOYSA-N 400.243 4.336 70 1 HIIF O=S(=O)(Cl)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1Cl 586927813 KROWLMJVLHORJX-UHFFFAOYSA-N 407.181 4.132 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1Cl 586925654 AEHYZGAEXKIBKZ-UHFFFAOYSA-N 401.662 4.039 70 1 HIIF Nc1ccc(-c2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)cc1N 587181198 VOCKFDKVVVLDOU-UHFFFAOYSA-N 416.865 4.373 70 1 HIIF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCOc5cc(F)ccc54)ncc23)ccn1 218541887 LKOMPTGOHXGPLP-KRWDZBQOSA-N 418.432 4.113 70 1 HIIF COc1cc(Cc2nc3ccc(Cl)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924809 IYEBTVYJZBXMMS-UHFFFAOYSA-N 415.298 4.060 70 1 HIIF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1S(=O)(=O)Cl 586926890 GXCPUMOEOBQPOK-UHFFFAOYSA-N 400.790 4.041 70 1 HIIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@H]1C 218487803 ZILMUNRLMDJIDQ-MLGOLLRUSA-N 411.399 4.353 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)ncc3[nH]2)c1Cl 586926490 LKXLUQKBOBGTHL-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21 218113931 BJONIROKQJSCLF-UHFFFAOYSA-N 410.474 4.113 70 1 HIIF N[C@@H](N=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926537 QSIQWIJUWYPNAW-ZDUSSCGKSA-N 419.677 4.188 70 1 HIIF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(S(=O)(=O)Cl)cc31)CC2=O 587485104 JHUYLFNZKQZYGQ-NRFANRHFSA-N 420.914 4.469 70 1 HIIF CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586928769 IOLYDEYPWORVFM-UHFFFAOYSA-N 413.282 4.296 70 1 HIIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C 218452816 ZILMUNRLMDJIDQ-BLLLJJGKSA-N 411.399 4.353 70 1 HIIF O=C(NC[C@H](c1ccncc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 217377922 WEBMYSIDXGVBKP-OAHLLOKOSA-N 406.795 4.106 70 1 HIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587740074 WAXULGWGKAPFKG-BTDLBPIBSA-N 416.287 4.044 70 1 HIIF O=S(=O)(Cl)c1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1Cl 586927134 CYAPMKMPIFCCCA-UHFFFAOYSA-N 411.245 4.136 70 1 HIIF O=C1C[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 587530098 DKYIRLQVGBBLCQ-OAQYLSRUSA-N 402.899 4.300 70 1 HIIF CCc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1S(=O)(=O)Cl 586926463 AIHYZECRGJEOAT-UHFFFAOYSA-N 415.696 4.188 70 1 HIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587849696 MSKNWFIUUIJAQZ-JDNHERCYSA-N 418.715 4.139 70 1 HIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587738253 MDIIBRIJMNERAU-BTDLBPIBSA-N 416.287 4.044 70 1 HIIF COc1cc(OC)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 586926228 OSGYVISZSXMYLA-UHFFFAOYSA-N 421.689 4.481 70 1 HIIF CCn1cnc2c(-c3ccc(F)c(-c4ccc5c(c4)C[C@H](C)S5(=O)=O)c3)cnnc21 218114058 HLGHDHJLYIPBMU-ZDUSSCGKSA-N 422.485 4.038 70 1 HIIF Cc1nc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2cc1Br 586927589 OSHHMDSQVFWFPY-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF O=[N+]([O-])c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586926621 RUZZZMAGMJSCLE-UHFFFAOYSA-N 406.634 4.372 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 586925914 YRYKKWLWEJUJIY-UHFFFAOYSA-N 410.641 4.007 70 1 HIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587740075 WAXULGWGKAPFKG-DYZYQPBXSA-N 416.287 4.044 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 586925942 ZIMROLJVDXMXTK-UHFFFAOYSA-N 416.673 4.344 70 1 HIIF O=S(=O)(Cl)c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl 586927668 QDACAYOEZHDAOK-UHFFFAOYSA-N 411.245 4.136 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587178110 QDMVJGHYQKULDF-UHFFFAOYSA-N 407.623 4.443 70 1 HIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587503333 DWQRBCDEQLIRLW-UZQPLGKSSA-N 406.519 4.395 70 1 HIIF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(S(=O)(=O)Cl)cc31)CC2=O 587485110 JHUYLFNZKQZYGQ-OAQYLSRUSA-N 420.914 4.469 70 1 HIIF Cc1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926417 KTKABZIPBPYGFA-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF CNC(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@H]2C1 217772157 ZGPFCXBCLXQLOM-CABCVRRESA-N 406.461 4.052 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(S(=O)(=O)Cl)c1OC 587918418 QVGCIVMETXCXDQ-UHFFFAOYSA-N 405.686 4.338 70 1 HIIF COc1cc(Cc2nc3cc(Cl)cc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924563 FTUYVSJDRYNIGZ-UHFFFAOYSA-N 415.298 4.060 70 1 HIIF O=S(=O)(Cl)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl 586927968 USISTNWETFSEGP-UHFFFAOYSA-N 407.181 4.132 70 1 HIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587738252 MDIIBRIJMNERAU-BMLIUANNSA-N 416.287 4.044 70 1 HIIF Cc1cnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 586926295 JUYYJTVDWAQFSU-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF N#Cc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1C#N 586927387 XOWRWIIGUXODIK-UHFFFAOYSA-N 411.657 4.208 70 1 HIIF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2OS(=O)(=O)C(F)(F)F)cc1 1772605127 IEXUSGPMRXESFH-UHFFFAOYSA-N 414.357 4.005 70 1 HIIF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C 587471286 KRXFJXFTZSLPFC-PZVFOTJXSA-N 410.507 4.174 70 1 HIIF O=[N+]([O-])c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926727 TZVXHXYJPQHEII-UHFFFAOYSA-N 406.634 4.372 70 1 HIIF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Cl 586926797 FNTNFWZTLCOCLL-UHFFFAOYSA-N 406.634 4.372 70 1 HIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587849695 MSKNWFIUUIJAQZ-FVMDXXJSSA-N 418.715 4.139 70 1 HIIF CC(C)(CCS(=O)(=O)Cl)[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962697754 HVFARCAUPRSBPU-GUYCJALGSA-N 405.988 4.215 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl 586929670 YETAAYAWUMUVJB-UHFFFAOYSA-N 413.282 4.281 70 1 HIIF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)Cl)cc1 587606316 HACSSKIVPZVSKF-YLJYHZDGSA-N 416.838 4.023 70 1 HIIF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(S(=O)(=O)Cl)cc31)CC2=O 587482787 DVCJNSGJFIIUFP-FQEVSTJZSA-N 406.887 4.079 70 1 HIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)O2 587409642 NFWQJGZAOJMMEV-KRWDZBQOSA-N 400.283 4.039 70 1 HIIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C 218509470 IOFVLWDJTIMEEM-WMLDXEAASA-N 418.335 4.348 70 1 HIIF COc1cc(C#Cc2cc(Cl)ccc2OC)c(S(=O)(=O)Cl)cc1Cl 587918137 CCMXNJVUAGVNDI-UHFFFAOYSA-N 405.686 4.338 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Cl 586925967 CLEUJCHVYWAUFU-UHFFFAOYSA-N 421.208 4.441 70 1 HIIF O=C(c1cccc2cc[nH]c12)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218373849 BHDOEKBJNYFWML-CSMYWGQOSA-N 401.388 4.264 70 1 HIIF CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)NCCc2c(OC)ccc(Cl)c21 963269635 LIBWZPSGCSFVIO-SFHVURJKSA-N 400.327 4.075 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3ncccc3c2[nH]1 586925439 PJXKXHJUNMYOHB-UHFFFAOYSA-N 408.266 4.368 70 1 HIIF O=S(=O)(F)Oc1ccc(-c2nnc(-c3cc(Cl)c(O)c(Cl)c3)o2)cc1 263620991 RSJRYZBNJGGTGQ-UHFFFAOYSA-N 405.190 4.009 70 1 HIIF in-vitro COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])cc(Cl)cc1S(=O)(=O)Cl 587918192 GBSAVLCNNODHAY-UHFFFAOYSA-N 420.657 4.238 70 1 HIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587851554 XCVYTAQXOAMWJX-FVMDXXJSSA-N 418.715 4.139 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)nc3[nH]2)c1Cl 586927410 YGCKQHLWUIIFNV-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1ccccc1Cl 217376355 KIOOGQHTHHNPEG-OAHLLOKOSA-N 413.827 4.089 70 1 HIIF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)Cl)cc1 587606312 HACSSKIVPZVSKF-PXNSSMCTSA-N 416.838 4.023 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1Cl 586928508 BJIWGXYFIDNMCU-UHFFFAOYSA-N 410.282 4.004 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnc3ccccc3c2[nH]1 586924711 HKBWOMHTWGABKP-UHFFFAOYSA-N 408.266 4.368 70 1 HIIF COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1OC 586925608 HJZZCVRKNVMLFA-UHFFFAOYSA-N 421.689 4.481 70 1 HIIF COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1OC 586926634 NNUWQWRXBPRQJT-UHFFFAOYSA-N 401.271 4.136 70 1 HIIF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)Cl)cc1 587606311 HACSSKIVPZVSKF-FXAWDEMLSA-N 416.838 4.023 70 1 HIIF COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1S(=O)(=O)Cl 587918122 BOSFJKOSSCALDA-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587851553 XCVYTAQXOAMWJX-ABKXIKBNSA-N 418.715 4.139 70 1 HIIF COc1cc(Cc2nc3cc4ccccc4cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925953 ZLFWDRURQONABQ-UHFFFAOYSA-N 416.886 4.252 70 1 HIIF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586928096 YQZKWUMLIHIZIS-UHFFFAOYSA-N 419.673 4.251 70 1 HIIF CNC(=O)N1C[C@H]2CC(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)=C[C@H]2C1 217772423 ZGPFCXBCLXQLOM-LSDHHAIUSA-N 406.461 4.052 70 1 HIIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@H]1C 218499174 HQTAMVKTQPVNSA-MLGOLLRUSA-N 422.298 4.097 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587178221 VTLWDJYDKRLROH-UHFFFAOYSA-N 407.623 4.443 70 1 HIIF Cc1c(Br)cnc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12 586927233 DXHIDRYSUMLITJ-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF Cc1cc(-c2nc3c(Br)cc(F)cc3[nH]2)ccc1S(=O)(=O)Cl 586927597 HTUGMBLZNKTHNF-UHFFFAOYSA-N 403.660 4.367 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586928193 RBMXXRVHIURKMC-UHFFFAOYSA-N 416.242 4.036 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1Cl 587918524 VJOWEOFGYYEAIO-UHFFFAOYSA-N 419.669 4.028 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586925478 RENLHBRUBAHLKV-UHFFFAOYSA-N 411.188 4.237 70 1 HIIF O=C(O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926561 RENIXJVUDYJYNS-UHFFFAOYSA-N 405.646 4.162 70 1 HIIF N#Cc1nc(Cl)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586926091 MGGOSTJDTFKRMZ-UHFFFAOYSA-N 422.080 4.384 70 1 HIIF O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1ccccc1Cl 217376435 KIOOGQHTHHNPEG-HNNXBMFYSA-N 413.827 4.089 70 1 HIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)O2 587408255 FKFJYXPRCAKTSA-KRWDZBQOSA-N 400.283 4.039 70 1 HIIF N#Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178033 MKIWEBJZHJJODB-UHFFFAOYSA-N 414.643 4.176 70 1 HIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587851555 XCVYTAQXOAMWJX-JDNHERCYSA-N 418.715 4.139 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cncc(Br)c3[nH]2)c1Cl 586925770 AZSLQIULMDAFDC-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587851556 XCVYTAQXOAMWJX-XXFAHNHDSA-N 418.715 4.139 70 1 HIIF CCc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)cc1S(=O)(=O)Cl 586928123 ZLTCPACVEJLSBU-UHFFFAOYSA-N 414.712 4.186 70 1 HIIF O=C(O)c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1F 586927358 XFGFBGOCHMVILP-UHFFFAOYSA-N 423.636 4.302 70 1 HIIF O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Cl 586926781 AAOASAXVUVMYAC-UHFFFAOYSA-N 406.634 4.372 70 1 HIIF CC(C)(CCS(=O)(=O)Cl)[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962697756 HVFARCAUPRSBPU-SUMWQHHRSA-N 405.988 4.215 70 1 HIIF C[C@@]1(c2ccc(O)c(S(=O)(=O)Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963120582 KONZMQVLGXTKOL-INIZCTEOSA-N 406.718 4.036 70 1 HIIF CC(C)(C)C1=NC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1 73334701 SBDQICIAANDLNV-UHFFFAOYSA-N 401.446 4.112 70 1 HIIF CC(C)(CCS(=O)(=O)Cl)[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962697748 HVFARCAUPRSBPU-CXAGYDPISA-N 405.988 4.215 70 1 HIIF O=C(NC[C@@H](c1ccncc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 217377852 WEBMYSIDXGVBKP-HNNXBMFYSA-N 406.795 4.106 70 1 HIIF CCc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586926713 DKKMLTJUDVOAQG-UHFFFAOYSA-N 404.854 4.045 70 1 HIIF Cc1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 586926099 GQKJSXBYWSMAFU-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF Cc1cc(-c2nc3c(F)c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927951 MPONQCDEJHFHHL-UHFFFAOYSA-N 403.660 4.367 70 1 HIIF Cc1c(Br)cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 586927624 PGYKMYJHVHTHEC-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1 586925655 AFCKBXAQHNRGEB-UHFFFAOYSA-N 422.087 4.279 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(C(=O)O)cc1S(=O)(=O)Cl 587918198 GIFCHCUQIXGTQP-UHFFFAOYSA-N 419.669 4.028 70 1 HIIF COCC[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1cnc(C(F)(F)F)nc1 217380818 SILHYWNUBWSHLP-SNVBAGLBSA-N 422.234 4.352 70 1 HIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587849697 MSKNWFIUUIJAQZ-XXFAHNHDSA-N 418.715 4.139 70 1 HIIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C 218498849 LBLBKHYDUJYKHT-OXJNMPFZSA-N 420.488 4.397 70 1 HIIF O=S(=O)(Cl)c1ccc2c(c1)[C@]1(CCO2)NCCc2c(Cl)cc(Cl)cc21 963105346 ILHKTICHTHGZIA-QGZVFWFLSA-N 418.729 4.093 70 1 HIIF Cc1cc(-c2nc3c(F)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586928268 SWXKPJXAILITAF-UHFFFAOYSA-N 403.660 4.367 70 1 HIIF COC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926552 RAOOARIIPBNXBD-UHFFFAOYSA-N 419.673 4.251 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1Cl 587918249 IVLKLSFSBIXFBJ-UHFFFAOYSA-N 420.657 4.238 70 1 HIIF Cc1cc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586926928 BLVSKZFSQVPFPQ-UHFFFAOYSA-N 412.902 4.297 70 1 HIIF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587411183 YMNNZZGWSLQUCF-SFHVURJKSA-N 414.310 4.429 70 1 HIIF Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 586926456 KZLOXSAEMUOCDL-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF COc1cc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924376 DAFLMXIGOAHOBL-UHFFFAOYSA-N 422.934 4.396 70 1 HIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587740072 WAXULGWGKAPFKG-BMLIUANNSA-N 416.287 4.044 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Br)ccnc3[nH]2)c1Cl 586927019 SYPSPENXPZURPK-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(S(=O)(=O)Cl)c1 587918139 CGQKORWYUMCGCY-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF Cc1cc(=O)oc2cc(-c3ccc(F)cc3)c(OS(=O)(=O)C(F)(F)F)cc12 1772648395 PIUHIRRLCKUBFR-UHFFFAOYSA-N 402.321 4.136 70 1 HIIF Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H]4CC[C@@H]3C4)cc2F)cn1 218628268 IXEFOEMWCIQGMK-MAUKXSAKSA-N 423.513 4.310 70 1 HIIF O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(F)cc3)s2)cc1 103297091 OMHAWGLCMOBANN-UHFFFAOYSA-N 401.897 4.500 70 1 HIIF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(S(=O)(=O)Cl)cc31)CC2=O 587482790 DVCJNSGJFIIUFP-HXUWFJFHSA-N 406.887 4.079 70 1 HIIF NC1=N[C@](CF)(c2cc(Nc3nccc4cc(Cl)cnc34)ccc2F)[C@H]2C[C@H]2O1 217519117 FUZAGURRFYNOEZ-YYFZDKIDSA-N 415.831 4.064 70 1 HIIF Cc1c(Br)cnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 587177961 JEFWUHPERKKXLX-UHFFFAOYSA-N 404.648 4.007 70 1 HIIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1Br 587918448 RYHPUCQQKZABNJ-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF CCc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586926585 BOGGPEBBFDNNRE-UHFFFAOYSA-N 413.282 4.160 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1Cl 586927006 SUFFYJRGRDKORX-UHFFFAOYSA-N 404.206 4.167 70 1 HIIF Cc1cc(-c2nc3c(Br)c(F)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927648 IGBJBDCBKJGZJH-UHFFFAOYSA-N 403.660 4.367 70 1 HIIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(Br)c1 587918336 NJBRCIYKLGSANS-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF COC(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925506 FOIQJEHPHGLDEO-UHFFFAOYSA-N 419.673 4.251 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587178201 VAVGLZITRVVKMU-UHFFFAOYSA-N 407.623 4.443 70 1 HIIF COc1cccc(C(=O)NC[C@H](CC2CC2)c2cnc(C(F)(F)F)nc2)c1Cl 217371241 HJUJINBFFMFWOK-LBPRGKRZSA-N 413.827 4.471 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587177942 IDBFFDDLNZXWOZ-UHFFFAOYSA-N 407.623 4.443 70 1 HIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(O)c3[nH]2)c1 586926853 RJKNYRMHCLRZFO-UHFFFAOYSA-N 422.087 4.279 70 1 HIIF CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1C)CC2=O 587482730 DNSBDJHVSBPWBO-FQEVSTJZSA-N 408.903 4.461 70 1 HIIF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1 218775566 VSLUJTNAZDNCRC-MOPGFXCFSA-N 422.504 4.343 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cccc(C)c1OS(=O)(=O)C(F)(F)F 587914378 CPURWBVXBFRJJG-UHFFFAOYSA-N 404.793 4.285 70 1 HIIF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)Cl)cc1 587606314 HACSSKIVPZVSKF-XLIONFOSSA-N 416.838 4.023 70 1 HIIF Cc1cc(-c2nc3cc(F)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586927653 IIHDRQKTMMZSKA-UHFFFAOYSA-N 403.660 4.367 70 1 HIIF COc1cccc(-c2cc3oc(=O)cc(C)c3cc2OS(=O)(=O)C(F)(F)F)c1 1772633559 ZOELHBJSGPHGSZ-UHFFFAOYSA-N 414.357 4.005 70 1 HIIF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)O2 587408259 FKFJYXPRCAKTSA-QGZVFWFLSA-N 400.283 4.039 70 1 HIIF O=C(O)c1cc(F)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925161 CMRUIXKYWFBANN-UHFFFAOYSA-N 423.636 4.302 70 1 HIIF CCc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1S(=O)(=O)Cl 586927433 MRTRDSSGEUAFOV-UHFFFAOYSA-N 400.243 4.281 70 1 HIIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)CO)cc2)[C@H](O)C[C@H]1Cl 137022604 FTZLQTVABVUGQA-RUJXCBFBSA-N 408.966 4.318 70 1 HIIF COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1Cl 586924901 KFRXFNDITYBUGH-UHFFFAOYSA-N 421.689 4.481 70 1 HIIF N[C@H](N=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926536 QSIQWIJUWYPNAW-CYBMUJFWSA-N 419.677 4.188 70 1 HIIF Cc1nc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2cc1Br 586927219 DRRCAZSBAVSLHV-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF Cc1cc(-c2nc3c(Cl)ncc(Br)c3[nH]2)ccc1S(=O)(=O)Cl 586927074 CGHHBNJLNKWACB-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587177989 KPGQEEUBALMQBE-UHFFFAOYSA-N 405.632 4.010 70 1 HIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1Cl 586925882 KOFVGWPSKLTSQT-UHFFFAOYSA-N 405.646 4.193 70 1 HIIF CCc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927365 LQACLTPKEGSHKB-UHFFFAOYSA-N 424.707 4.354 70 1 HIIF N#Cc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1C(F)(F)F 587178172 TUWACVQWKDBTLQ-UHFFFAOYSA-N 403.744 4.432 70 1 HIIF Cc1cc(-c2nc3ncc(Br)c(Cl)c3[nH]2)ccc1S(=O)(=O)Cl 586928037 OIIYWAFUHNDVPZ-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587411182 YMNNZZGWSLQUCF-GOSISDBHSA-N 414.310 4.429 70 1 HIIF CC(C)(CCS(=O)(=O)Cl)[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962697752 HVFARCAUPRSBPU-DYVFJYSZSA-N 405.988 4.215 70 1 HIIF COCC[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cnc(C(F)(F)F)nc1 217380725 SILHYWNUBWSHLP-JTQLQIEISA-N 422.234 4.352 70 1 HIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587738255 MDIIBRIJMNERAU-QGHHPUGFSA-N 416.287 4.044 70 1 HIIF CC(C)[C@H](CO)NCc1cc(C(F)(F)F)cc(-c2ccc(C(F)(F)F)nc2)n1 218694995 IXFLCMSHWOPNDZ-HNNXBMFYSA-N 407.358 4.288 70 1 HIIF Cc1cc(-c2nc3c(Br)cc(C#N)cc3[nH]2)ccc1S(=O)(=O)Cl 586928209 RLOFYKSODWGWTQ-UHFFFAOYSA-N 410.680 4.100 70 1 HIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587503326 DWQRBCDEQLIRLW-RXYZOABWSA-N 406.519 4.395 70 1 HIIF O=S(=O)(Cl)c1ccc2c(c1)[C@@]1(CCO2)NCCc2c(Cl)cc(Cl)cc21 963105343 ILHKTICHTHGZIA-KRWDZBQOSA-N 418.729 4.093 70 1 HIIF O=S(=O)(Oc1cccc([C@@H]2CCCN(CCc3ccccc3)C2)c1)C(F)(F)F 36216529 GHZCAYNGRYIDPW-GOSISDBHSA-N 413.461 4.337 70 1 HIIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2(C)C 587471283 KRXFJXFTZSLPFC-OBVPDXSSSA-N 410.507 4.174 70 1 HIIF CCc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1S(=O)(=O)Cl 586927730 QYSOOBNYUQXAAS-UHFFFAOYSA-N 414.712 4.186 70 1 HIIF O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)F)cc3)nc3ccc(O)c1c23 586988163 FPETVTYHMLHLOO-UHFFFAOYSA-N 405.406 4.477 70 1 HIIF CCc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927368 LQTAGMOFGDDJSX-UHFFFAOYSA-N 418.675 4.016 70 1 HIIF CCn1cnc2c(-c3ccc(F)c(-c4ccc5c(c4)C[C@@H](C)S5(=O)=O)c3)cnnc21 218114165 HLGHDHJLYIPBMU-CYBMUJFWSA-N 422.485 4.038 70 1 HIIF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OCc1cc(F)ccc1O 218294638 WGJBFMMLUYGFBM-UHFFFAOYSA-N 422.334 4.070 70 1 HIIF COc1cc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925940 ZHUFZXCXGOCCGR-UHFFFAOYSA-N 422.934 4.396 70 1 HIIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1Cl 586927734 QZHSUCVIHAUPIY-UHFFFAOYSA-N 422.087 4.279 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cnc3[nH]2)c1Cl 586926841 QYRSKOKDLRDFRU-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1S(=O)(=O)Cl 587918303 LRISXADONYMNNG-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587740076 WAXULGWGKAPFKG-QGHHPUGFSA-N 416.287 4.044 70 1 HIIF C[C@]1(c2ccc(O)c(S(=O)(=O)Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963120583 KONZMQVLGXTKOL-MRXNPFEDSA-N 406.718 4.036 70 1 HIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587178288 ZHADCKMWRSTRLR-UHFFFAOYSA-N 407.623 4.443 70 1 HIIF COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1C 586924369 CWCDKYPUGKDXQT-UHFFFAOYSA-N 401.271 4.136 70 1 HIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3cncnc3)cc2)n1 218484894 RCCBPVUTPYXTKL-HNAYVOBHSA-N 420.473 4.213 70 1 HIIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1Cl 586927942 LZHZCQVLWKOJMV-UHFFFAOYSA-N 422.087 4.279 70 1 HIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccnc(Br)c3[nH]2)c1Cl 586927238 VMLWLNIHRORMBL-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF COc1cc(Cc2nc3cc(C)c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924816 JFRVHUPRDWLIQI-UHFFFAOYSA-N 415.298 4.060 70 1 HIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)F)cc2)N1 587738254 MDIIBRIJMNERAU-DYZYQPBXSA-N 416.287 4.044 70 1 HIIF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586928276 UFEPMGWOWCMOPE-UHFFFAOYSA-N 419.673 4.251 70 1 HIIF Cc1nccc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 586926601 NHPNGFXQFBNZQV-UHFFFAOYSA-N 421.103 4.277 70 1 HIIF O=C(O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925274 DLNQBVYIZIUTML-UHFFFAOYSA-N 405.646 4.162 70 1 HIIF COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 586926136 HTMNFNQCSNQZGG-UHFFFAOYSA-N 401.271 4.136 70 1 HIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cc2)n1 218473309 NKJZELHWGLSGFP-SWLSCSKDSA-N 405.296 4.393 70 1 HIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Cl 586926586 RLMCXVZQRZTXGO-UHFFFAOYSA-N 419.673 4.235 70 1 HIIF Cc1nc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2cc1Br 587177900 FQNSILWMGXJIHD-UHFFFAOYSA-N 404.648 4.007 70 1 HIIF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)O2 587409644 NFWQJGZAOJMMEV-QGZVFWFLSA-N 400.283 4.039 70 1 HIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 586924606 GOITUYZVZWRLNP-UHFFFAOYSA-N 406.678 4.176 70 1 HIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1Cl 586926733 UJBYVUSFIFJKMQ-UHFFFAOYSA-N 417.661 4.046 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1Br 587918568 XIQJRFPNMFKRMT-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(S(=O)(=O)Cl)c1 587918578 XUPRJGFLKAWLIA-UHFFFAOYSA-N 420.111 4.438 70 1 HIIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl 137011127 ZDYORXDJNMUWCL-BCMUVELESA-N 406.950 4.420 70 1 HIIF COc1cccc(C(=O)NC[C@@H](CC2CC2)c2cnc(C(F)(F)F)nc2)c1Cl 217371157 HJUJINBFFMFWOK-GFCCVEGCSA-N 413.827 4.471 70 1 HIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)Cl)cc2)N1 587849694 MSKNWFIUUIJAQZ-ABKXIKBNSA-N 418.715 4.139 70 1 HIIF CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)NCCc2c(OC)ccc(Cl)c21 963269630 LIBWZPSGCSFVIO-GOSISDBHSA-N 400.327 4.075 70 1 HIIF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1C)CC2=O 587482737 DNSBDJHVSBPWBO-HXUWFJFHSA-N 408.903 4.461 70 1 HIIF