smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl 586926080 GJJZLMBTFRHISB-UHFFFAOYSA-N 411.097 4.821 70 1 HJIF CC(C)(C)c1ccc(-c2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn3c2)cc1 218580889 SLMUCUSKFJTDLB-DEOSSOPVSA-N 401.554 4.728 70 1 HJIF C[C@](CNC(=O)c1cccc(F)c1Cl)(CC1CC1)c1cnc(C(F)(F)F)nc1 217369079 VQMPIFDHXSJHBL-GOSISDBHSA-N 415.818 4.776 70 1 HJIF Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586928120 ZKQVGVWOSUHFKR-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF O=C(c1ccccc1)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587181484 ZUTRDSVSMJCTBY-UHFFFAOYSA-N 414.845 4.773 70 1 HJIF Cc1cn(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 217382682 LOTSHGCIIJLZMR-UHFFFAOYSA-N 402.272 4.833 70 1 HJIF CCc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1S(=O)(=O)Cl 586928009 VYHKHYSKQLFWTC-UHFFFAOYSA-N 413.724 4.791 70 1 HJIF CCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1S(=O)(=O)Cl 586927452 MYKIDMALLDZSDF-UHFFFAOYSA-N 422.897 4.816 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Cl 586928191 RBCKAEMCBMBOCN-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)cc3[nH]2)c1Cl 586925662 AFYHGTMVHJWUAU-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF Cc1cc(C)cc(-c2cc3oc(=O)cc(C)c3cc2OS(=O)(=O)C(F)(F)F)c1 1772646985 VLGMZMBLRVFGAC-UHFFFAOYSA-N 412.385 4.614 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1Cl 586925672 AGVKCVFOYSNGNR-UHFFFAOYSA-N 420.661 4.681 70 1 HJIF Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br 586926672 CWRMAUYNFILMRX-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1C 218487295 WAZMVFLROLELSK-BLLLJJGKSA-N 417.868 4.734 70 1 HJIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(F)cc3[nH]2)c1 586926720 OPADZIULLUDJMY-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531051 IDVRWHDFSRMEDU-UZQPLGKSSA-N 422.974 4.664 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(Cl)cc1Cl 587918372 OWOUJKOEJUTKTL-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 586924698 HIHIWOLSPCJBFW-UHFFFAOYSA-N 405.690 4.781 70 1 HJIF CCc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl 586927992 VNDFOUIDISXPIV-UHFFFAOYSA-N 413.808 4.610 70 1 HJIF O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1c(F)cccc1Cl 217360057 JAXSNGVGAWZODF-UHFFFAOYSA-N 400.803 4.890 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 586924356 CHIIKCTWKSEGFB-UHFFFAOYSA-N 409.653 4.612 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1Cl 586927097 UUMHZLAHOJCHNX-UHFFFAOYSA-N 400.674 4.644 70 1 HJIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587179838 APFASUFQAZJNDZ-UHFFFAOYSA-N 412.833 4.638 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Cl 586927384 LXFWLCSURMKAOG-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)cc1 587180507 JYHRRNHXDNVKJT-UHFFFAOYSA-N 417.849 4.916 70 1 HJIF Cc1c(Br)ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928285 USPOGUGVYNFJJG-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1F 586926126 NEWWGRXFEUXCFL-UHFFFAOYSA-N 424.624 4.512 70 1 HJIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963117724 XPQQRVSEWFUINK-YJYMSZOUSA-N 414.329 4.691 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1Cl 586928340 XUUCLUZFSOKLCS-UHFFFAOYSA-N 411.188 4.709 70 1 HJIF Cc1cc(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587178184 ULKMOKOVXAYHKO-UHFFFAOYSA-N 403.660 4.612 70 1 HJIF Cc1ccccc1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 96929988 MRZIMRQBXLWZCF-UHFFFAOYSA-N 419.464 4.868 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl 587918127 BQSQMUIDHVWOLZ-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF CCc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1S(=O)(=O)Cl 586928133 ZVQPVIYMHGHHHT-UHFFFAOYSA-N 424.909 4.951 70 1 HJIF Cc1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586926502 ARPYHPNOVRPWKA-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Cl 586927116 JBTHWVFTMSZOOJ-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)C2CCC(F)(F)CC2)cn1 217374955 HOJQVRLDJWLPMZ-OAHLLOKOSA-N 411.855 4.917 70 1 HJIF CC(C)(O)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1 217370881 MUSDXSPOJRSLLA-OAHLLOKOSA-N 407.341 4.930 70 1 HJIF N#Cc1cc(Cl)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 586925874 KMCHOWIRCZQGFX-UHFFFAOYSA-N 421.092 4.989 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl 586926550 BGDZGLKCTJBRKW-UHFFFAOYSA-N 413.179 4.969 70 1 HJIF CC(C)[C@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1 218701235 QGVNEXMHHFBNQK-KRWDZBQOSA-N 406.370 4.893 70 1 HJIF Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1C 587178180 UGRDXGWJIVBRBU-UHFFFAOYSA-N 417.687 4.921 70 1 HJIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2ccc(F)cc2C[C@@H]2CCCN21 963114603 UYYHIJZYMDIPHH-LIRRHRJNSA-N 414.329 4.691 70 1 HJIF CCCc1c(O)ccc2c1O[C@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)CC2=O 587489826 WDFLUTOTPZPVRD-NRFANRHFSA-N 422.930 4.789 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Cl 586927252 JWJSJXHVBIYSOZ-UHFFFAOYSA-N 411.188 4.709 70 1 HJIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2ccc(F)cc2C[C@H]2CCCN21 963114597 UYYHIJZYMDIPHH-AUUYWEPGSA-N 414.329 4.691 70 1 HJIF Cc1cnc(Cl)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12 586925387 FGBUQFQYPPEFHZ-UHFFFAOYSA-N 411.097 4.821 70 1 HJIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963117717 XPQQRVSEWFUINK-BFUOFWGJSA-N 414.329 4.691 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl 586926328 KLBVEKJKEAWSER-UHFFFAOYSA-N 411.097 4.821 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F 587913984 RHMSRKHRHCMQKG-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Cl 586926808 FWXKFEDSSFWWRJ-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc([C@@H](O)C(C)C)cc2)[C@H](O)C[C@H]1Cl 137017817 RCZYVQXXLLDIQH-XCWFNORRSA-N 410.982 4.961 70 1 HJIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531050 IDVRWHDFSRMEDU-RXYZOABWSA-N 422.974 4.664 70 1 HJIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587181082 RDEDZIACKMSUMW-UHFFFAOYSA-N 412.833 4.638 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 586924871 KCBJRMKGLOADQZ-UHFFFAOYSA-N 405.690 4.781 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1Cl 586926012 DKJOBQDIJLWXRT-UHFFFAOYSA-N 410.204 4.533 70 1 HJIF Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586928345 XYPATADKTMBTPR-UHFFFAOYSA-N 421.650 4.507 70 1 HJIF Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)C2CCC(F)(F)CC2)cn1 217374879 HOJQVRLDJWLPMZ-HNNXBMFYSA-N 411.855 4.917 70 1 HJIF CCc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586926457 AHVDKHJZFSVPHR-UHFFFAOYSA-N 413.724 4.791 70 1 HJIF O=C1C[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 587532451 NXQVHCCVXZMQCL-QFIPXVFZSA-N 416.926 4.690 70 1 HJIF CC(C)(CCS(=O)(=O)Cl)[C@@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198702 WGRHDNAGPNPFDM-RTWAWAEBSA-N 416.974 4.836 70 1 HJIF CC(C)(CCS(=O)(=O)Cl)[C@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198701 WGRHDNAGPNPFDM-NHCUHLMSSA-N 416.974 4.836 70 1 HJIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531046 IDVRWHDFSRMEDU-ITEAAPOESA-N 422.974 4.664 70 1 HJIF O=C1c2ccccc2-c2cc(-c3cccc(S(=O)(=O)Cl)c3)nc3ccc(O)c1c23 586994578 XKOJHQPRCPGBKL-UHFFFAOYSA-N 421.861 4.746 70 1 HJIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1Cl 586925379 FDTJNPKBWKNPNE-UHFFFAOYSA-N 415.607 4.882 70 1 HJIF COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Cl 586926297 JWAWNAYKSFPPMA-UHFFFAOYSA-N 405.690 4.781 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1Cl 586926315 KDOFHHYHTPOIDA-UHFFFAOYSA-N 410.204 4.533 70 1 HJIF Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)C2CCC(F)(F)CC2)cn1 217375067 QSLKTTDGZTXERS-INIZCTEOSA-N 411.855 4.917 70 1 HJIF CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc3c(c2)CC[C@H]3O)[C@H](O)C[C@H]1Cl 137020341 QKZVCUBCHFTZNL-UCPUWKAJSA-N 420.977 4.806 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1Cl 586927536 GJQNZBDBTSDMAQ-UHFFFAOYSA-N 413.179 4.969 70 1 HJIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1C 218477123 UJACRBAZNUEFHY-WMLDXEAASA-N 413.905 4.985 70 1 HJIF Cc1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586927225 DSPUEZSVXAZEOZ-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3ccccc3cc2[nH]1 586925064 LGGNDGOPLRCDCB-UHFFFAOYSA-N 407.278 4.973 70 1 HJIF Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926564 MMWWOMIAIJOXIT-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF CCc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1S(=O)(=O)Cl 586926584 BNQNROBNRVTSSR-UHFFFAOYSA-N 417.687 4.621 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)c(S(=O)(=O)Cl)c1 587913726 DVNFNZAPTCWNPC-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530796 HKLZPDAHHQVDFP-NRFANRHFSA-N 404.915 4.682 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1Cl 586927199 DJXADEMOFXQJFJ-UHFFFAOYSA-N 411.188 4.709 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1Cl 586927538 GLDHVACUSQHQRW-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 586925462 PXWLHYRGCQOGOT-UHFFFAOYSA-N 411.310 4.698 70 1 HJIF Cc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br 587178234 WMKKPLNYHNTMEN-UHFFFAOYSA-N 403.660 4.612 70 1 HJIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(C)(C)CO)cc2)[C@H](O)C[C@H]1Cl 137022657 HAADWBSFVMKLLN-GPQLQYNLSA-N 410.982 4.542 70 1 HJIF N#Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1C(F)(F)F 586928041 XAQQXVQWLMGSIH-UHFFFAOYSA-N 420.199 4.701 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl 586927457 YZZIRRQQJZKKQB-UHFFFAOYSA-N 411.097 4.821 70 1 HJIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587177872 DHAHYFOLQDELNI-UHFFFAOYSA-N 424.078 4.957 70 1 HJIF Cc1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl 586927617 HZBYGRYDHYXDCA-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Cl 586927131 JJGCRGNAVRFQMA-UHFFFAOYSA-N 411.188 4.709 70 1 HJIF Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c32)n1 586928945 MVVGYEIKDCUIFA-UHFFFAOYSA-N 406.294 4.976 70 1 HJIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531052 IDVRWHDFSRMEDU-YDFBLROQSA-N 422.974 4.664 70 1 HJIF CCc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl 586926705 DGMBWPMESSYQDW-UHFFFAOYSA-N 404.797 4.618 70 1 HJIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2ccc(F)cc2C[C@H]2CCCN21 963114602 UYYHIJZYMDIPHH-KUHUBIRLSA-N 414.329 4.691 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1Cl 586928091 PUBFSKNUAAFMSR-UHFFFAOYSA-N 406.088 4.573 70 1 HJIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C 218452929 AJDWPJCBXKCGQC-WMLDXEAASA-N 407.436 4.604 70 1 HJIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587104669 UIDNMERSHGWSQW-UPCLLVRISA-N 421.493 4.901 70 1 HJIF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@H]1C 218499248 WAZMVFLROLELSK-MLGOLLRUSA-N 417.868 4.734 70 1 HJIF Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br 586928318 WJVMEDWUEKRDPA-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Cl 586927440 MYDOYXOJBJZRIU-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF CCc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl 586927635 PQGHXHFUVACZNH-UHFFFAOYSA-N 406.788 4.878 70 1 HJIF C[C@@](CNC(=O)c1cccc(F)c1Cl)(CC1CC1)c1cnc(C(F)(F)F)nc1 217369147 VQMPIFDHXSJHBL-SFHVURJKSA-N 415.818 4.776 70 1 HJIF CCc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586927314 KXRZPDHLNVJGOF-UHFFFAOYSA-N 406.788 4.878 70 1 HJIF O=C(NC[C@@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 217379193 QLQIKVJKFWIZSN-INIZCTEOSA-N 423.797 4.850 70 1 HJIF Cc1ncc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 217367161 CZZCGJUWTKLBJN-UHFFFAOYSA-N 414.283 4.969 70 1 HJIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(F)c3[nH]2)c1 586926357 KRROIZIXKMKUCM-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF CCc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl 586926491 AMRZGUJWXNGLOJ-UHFFFAOYSA-N 413.724 4.791 70 1 HJIF Cc1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586926769 FCJHCKXPAAPOKE-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF CCc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1S(=O)(=O)Cl 586927391 MCERJQYUUFRXIH-UHFFFAOYSA-N 417.687 4.621 70 1 HJIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2ccc(F)cc2C[C@@H]2CCCN21 963114600 UYYHIJZYMDIPHH-IFXJQAMLSA-N 414.329 4.691 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1 587913830 KBPTWERKEAMZLI-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF COc1ccc(Cl)cc1C#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1Cl 587918222 HKOJOOMIBRBXTL-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1Cl 586927946 MDPLZVBZPBZSJM-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586927664 ISFNQCMHZCBNRO-UHFFFAOYSA-N 413.724 4.845 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1Cl 586927665 QBVQTUFLXHHNIY-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(S(=O)(=O)Cl)ccc1C3 587209508 QEDSWOWDMKMDGW-UHFFFAOYSA-N 417.873 4.945 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1Cl 586927931 LKJKCNJAGZWPRM-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Cc1cc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928364 YMZZBLXUZXYINL-UHFFFAOYSA-N 410.882 4.697 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cccc(Br)c3[nH]2)cc1Cl 586927115 CSELCKRZYRSCBB-UHFFFAOYSA-N 406.088 4.573 70 1 HJIF Cc1cccc(C)c1B(c1c(C)cccc1C)N(CC(F)(F)F)c1ccc(O)cc1 195204490 UGCKEDUYGRKYAN-UHFFFAOYSA-N 411.276 4.800 70 1 HJIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963117721 XPQQRVSEWFUINK-ORAYPTAESA-N 414.329 4.691 70 1 HJIF CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530765 GYCIEIJRHBIPTC-NRFANRHFSA-N 404.915 4.764 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl 587918409 QMEIDMLIDTXICJ-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1F 217383223 YGOWSFIWUXDWHH-UHFFFAOYSA-N 400.803 4.890 70 1 HJIF CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530769 GYCIEIJRHBIPTC-OAQYLSRUSA-N 404.915 4.764 70 1 HJIF O=C(NC[C@@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl 217378436 YNKDCJOAEHOACA-INIZCTEOSA-N 405.807 4.711 70 1 HJIF N#Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1C(F)(F)F 586927542 GNBRXNNEDROFAL-UHFFFAOYSA-N 420.199 4.701 70 1 HJIF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1[C@H]1C2CCC(CC2)[C@H]1C(=O)C3 217090054 VSZGBVVCRRDGRK-MMQBDCAJSA-N 405.582 4.615 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cl 586926635 NOFDGEOOHOKNSW-UHFFFAOYSA-N 413.179 4.676 70 1 HJIF CC(C)(CCS(=O)(=O)Cl)[C@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198700 WGRHDNAGPNPFDM-LEWJYISDSA-N 416.974 4.836 70 1 HJIF COc1cc2c(Nc3cccc(C(F)(F)F)c3)nnnc2cc1OCCCCl 118205561 CFRVYEPGSORYDP-UHFFFAOYSA-N 412.799 4.804 70 1 HJIF CC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586926193 OLQKVHBHZBUJKO-UHFFFAOYSA-N 403.674 4.667 70 1 HJIF Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1c(F)c(F)c(F)c(F)c1F 36159443 WAGOSWKBIGTMIY-MRVPVSSYSA-N 419.346 4.829 70 1 HJIF Cc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1S(=O)(=O)Cl 586928216 RNIFJWRZOSAKJA-UHFFFAOYSA-N 408.870 4.562 70 1 HJIF CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(S(=O)(=O)Cl)c1)CC2=O 587489756 VUPXSGHINGVPCX-FQEVSTJZSA-N 408.903 4.543 70 1 HJIF CCc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1S(=O)(=O)Cl 586926503 ASNRWMWIXNADTG-UHFFFAOYSA-N 417.687 4.621 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 586925856 XBAJEVYTOQIZBI-UHFFFAOYSA-N 415.298 4.607 70 1 HJIF CCc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1S(=O)(=O)Cl 586927775 RJLPDGGVVXAMGI-UHFFFAOYSA-N 413.724 4.791 70 1 HJIF COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1F 586926563 REQWMAFCWNLZBC-UHFFFAOYSA-N 409.653 4.612 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3nc(C)ccc3c2[nH]1 586924609 GPOOLEVDFNNSBR-UHFFFAOYSA-N 422.293 4.676 70 1 HJIF COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1C 586925581 HBKYTIYKVWKXEB-UHFFFAOYSA-N 405.690 4.781 70 1 HJIF Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1c(F)c(F)c(F)c(F)c1F 36159439 WAGOSWKBIGTMIY-QMMMGPOBSA-N 419.346 4.829 70 1 HJIF Cc1cc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2cc1[N+](=O)[O-] 586925604 HISHTHJWADZTBN-UHFFFAOYSA-N 420.661 4.681 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1Cl 586928316 WHVDHAQNIXMPFE-UHFFFAOYSA-N 413.179 4.969 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(SC)cc2[nH]1 586927948 MFOJXCIPALLDJA-UHFFFAOYSA-N 403.312 4.541 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Cl 586928086 YHICJYJLQCUAFZ-UHFFFAOYSA-N 413.179 4.969 70 1 HJIF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 217475633 BWTVMVHFJRFVFO-ZDUSSCGKSA-N 421.551 4.656 70 1 HJIF COc1ccc(Cl)cc1C#Cc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl 587918381 PGCRKZGCJLZLNP-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF CC(C)(O)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1 217370795 MUSDXSPOJRSLLA-HNNXBMFYSA-N 407.341 4.930 70 1 HJIF CCc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586926519 BAHKJNRPRXAWQR-UHFFFAOYSA-N 417.687 4.621 70 1 HJIF Cc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926597 NFKTWPFOLQLNDP-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl 587913786 HKEJTIAEFJCDFB-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586925418 PFNOWSLLSMSAKZ-UHFFFAOYSA-N 414.314 4.512 70 1 HJIF O=C(NC[C@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl 217378518 YNKDCJOAEHOACA-MRXNPFEDSA-N 405.807 4.711 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl 586926771 PZLGDWNVGZOGSY-UHFFFAOYSA-N 411.097 4.821 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 586927044 IGBNDXNMXNPWJZ-UHFFFAOYSA-N 406.088 4.573 70 1 HJIF CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc3c(c2)CC[C@@H]3O)[C@H](O)C[C@H]1Cl 137020288 QKZVCUBCHFTZNL-FKZNBNSQSA-N 420.977 4.806 70 1 HJIF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(S(=O)(=O)Cl)cs2)cc1 587918589 YKPDYAQKNTUGAW-UHFFFAOYSA-N 424.330 4.799 70 1 HJIF Cc1c(Br)ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587177984 KHURNXMKHJOAQP-UHFFFAOYSA-N 403.660 4.612 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Cl 587913988 RKEPQAJFAWUJSU-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178294 ZRMFCEUJAJMACF-UHFFFAOYSA-N 403.660 4.612 70 1 HJIF Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1S(=O)(=O)Cl 586927958 MVOCHJMHZUNCSD-UHFFFAOYSA-N 408.870 4.562 70 1 HJIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccccc3[nH]2)c1 586926607 NJTZJTWDJUJQRU-UHFFFAOYSA-N 406.088 4.573 70 1 HJIF CC(C)(O)c1ccc(C2(CNC(=O)c3ccccc3Cl)CCC(F)(F)CC2)cn1 217367823 UJPFCELJBTZEEG-UHFFFAOYSA-N 422.903 4.840 70 1 HJIF O=S(=O)(Cl)c1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Cl 586927700 QLOBFWQDOWHCRN-UHFFFAOYSA-N 406.088 4.573 70 1 HJIF O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)Cl)cc3)nc3ccc(O)c1c23 586994556 WCQRPGGYXPHKAJ-UHFFFAOYSA-N 421.861 4.746 70 1 HJIF COc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 80116514 PGYBGWYKPVRNRX-UHFFFAOYSA-N 410.453 4.674 70 1 HJIF CCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21 218113513 CIHIQBHPOMERRH-UHFFFAOYSA-N 424.501 4.503 70 1 HJIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl 137022548 VTASWXKZFIHLTQ-GPQLQYNLSA-N 408.966 4.644 70 1 HJIF O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(F)c1Cl 217383145 NXJOLBQCSCIIRM-UHFFFAOYSA-N 400.803 4.890 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1 587918479 TZTZSTDEPVABSE-UHFFFAOYSA-N 410.105 4.983 70 1 HJIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@H]1C 218498928 AJDWPJCBXKCGQC-RHSMWYFYSA-N 407.436 4.604 70 1 HJIF COc1ccc(Cl)c(C(=O)NCC2(c3ccc(F)nc3)CCC(F)(F)CC2)c1 217361001 JXGLXFSNJGRQNT-UHFFFAOYSA-N 412.839 4.760 70 1 HJIF CCCc1c(O)ccc2c1O[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)CC2=O 587489829 WDFLUTOTPZPVRD-OAQYLSRUSA-N 422.930 4.789 70 1 HJIF CCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1S(=O)(=O)Cl 586927512 ODLOCPIQEYTFKE-UHFFFAOYSA-N 422.897 4.816 70 1 HJIF O=S(=O)(Cl)c1ccc(Br)c(-c2cc3c4c(cccc4n2)CC3)c1 587216905 QDKCMDPMNWVOOT-UHFFFAOYSA-N 408.704 4.690 70 1 HJIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@@H]1C 218487614 OQRWWFFSUBHUOV-GHTZIAJQSA-N 416.525 4.648 70 1 HJIF Cc1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586928159 QMJZQZRZGIMJQQ-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cccc(-c2nc(S(=O)(=O)Cl)cs2)c1 587918306 LUGYHJBVZAOGBY-UHFFFAOYSA-N 424.330 4.799 70 1 HJIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531037 IDVRWHDFSRMEDU-ARBPTSGCSA-N 422.974 4.664 70 1 HJIF CCc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl 586927674 QGSUMLUYXSBPGJ-UHFFFAOYSA-N 404.797 4.618 70 1 HJIF O=C1C[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 587532448 NXQVHCCVXZMQCL-JOCHJYFZSA-N 416.926 4.690 70 1 HJIF Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)C2CCC(F)(F)CC2)cn1 217375144 QSLKTTDGZTXERS-MRXNPFEDSA-N 411.855 4.917 70 1 HJIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963117719 XPQQRVSEWFUINK-DJJJIMSYSA-N 414.329 4.691 70 1 HJIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc([C@@H](O)C(C)C)cc2)[C@H](O)C[C@H]1Cl 137017629 HINYBJRUVOVRJC-QBYCAVGESA-N 408.966 4.737 70 1 HJIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc([C@H](O)C(C)C)cc2)[C@H](O)C[C@H]1Cl 137017856 RCZYVQXXLLDIQH-DEFAWVEDSA-N 410.982 4.961 70 1 HJIF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1 587914137 ZVCUUHXFEGUTEQ-UHFFFAOYSA-N 409.212 4.695 70 1 HJIF Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530804 HKLZPDAHHQVDFP-OAQYLSRUSA-N 404.915 4.682 70 1 HJIF COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc([C@H](O)C(C)C)cc2)[C@H](O)C[C@H]1Cl 137017662 HINYBJRUVOVRJC-DXPSYXJCSA-N 408.966 4.737 70 1 HJIF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(S(=O)(=O)Cl)c1)CC2=O 587489761 VUPXSGHINGVPCX-HXUWFJFHSA-N 408.903 4.543 70 1 HJIF O=C(NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 217379289 QLQIKVJKFWIZSN-MRXNPFEDSA-N 423.797 4.850 70 1 HJIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587178106 PWMJBEDAOHDSAE-UHFFFAOYSA-N 424.078 4.957 70 1 HJIF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@H]1C 218509544 UJACRBAZNUEFHY-RHSMWYFYSA-N 413.905 4.985 70 1 HJIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1Cl 586928362 YMSOSHSJUHHRAD-UHFFFAOYSA-N 424.078 4.712 70 1 HJIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(Br)c3[nH]2)c1Cl 586927364 XLEFKRLNLWVSFC-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 586924354 CGJKSMBJJZNBEN-UHFFFAOYSA-N 409.653 4.612 70 1 HJIF Cc1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928376 YUYYRIDXRPYIHQ-UHFFFAOYSA-N 420.115 4.882 70 1 HJIF CC(C)(CCS(=O)(=O)Cl)[C@@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198703 WGRHDNAGPNPFDM-SFTDATJTSA-N 416.974 4.836 70 1 HJIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587531049 IDVRWHDFSRMEDU-KBJGYGKASA-N 422.974 4.664 70 1 HJIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1Cl 586925048 BWGPQDVFZBNWHU-UHFFFAOYSA-N 415.060 4.652 70 1 HJIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C)c(Cl)cc2[nH]1 586924840 JVYVRFJBOWYVRG-UHFFFAOYSA-N 405.690 4.781 70 1 HJIF Cc1cc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927610 HWVJECSYDQVETK-UHFFFAOYSA-N 413.886 4.840 70 1 HJIF CCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586926721 DQDDEIUMKHYSML-UHFFFAOYSA-N 417.687 4.621 70 1 HJIF