smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587723269 WHSCRGVGSUXCHP-ZKANADHPSA-N 543.289 4.357 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2cccc(F)c2F)CC1 217619298 WIEYPWJTVIGIMC-UHFFFAOYSA-N 529.590 4.499 70 1 KIIF Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5cccc(F)c5F)CC4)cc3)cccc2s1 217792084 AWVQSAMEACRCAR-UHFFFAOYSA-N 544.605 4.081 70 1 KIIF CC(=O)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1 43683001 WRMSYILMRYXLAS-IZZDOVSWSA-N 524.561 4.086 70 1 KIIF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587714799 AZGJUDWCZGEJSV-VPTHRUTESA-N 543.289 4.357 70 1 KIIF CC(C)[C@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721623 ADTCPPNUAWLLJN-XLDNGHKCSA-N 747.830 4.297 70 1 KIIF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl 962701491 RCWHNUFRUGJQEZ-YQVWRLOYSA-N 512.308 4.168 70 1 KIIF CC(=O)c1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1 42784579 NUWDDLFERGKQRG-JXMROGBWSA-N 524.561 4.086 70 1 KIIF Cc1nc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4cccnc34)cc2)CC1 217643004 BXUZPGFEQQURLB-UHFFFAOYSA-N 538.576 4.141 70 1 KIIF COc1cc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(S(=O)(=O)Cl)c1OC 586925840 WOMLNHHEXXJOEQ-UHFFFAOYSA-N 609.043 4.021 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)cc1S(=O)(=O)Cl 587896988 YTRYNJCXMPZRBS-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(S(=O)(=O)Cl)ccc2-c2ccc(S(=O)(=O)Cl)cc21 587409091 KHDUPYXUCAIZME-UHFFFAOYSA-N 524.403 4.322 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2sncc2Cl)CC1 217728339 PZVJPHFFPHBHSS-UHFFFAOYSA-N 535.072 4.331 70 1 KIIF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]12C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 963063567 DHJRAMPRQBAMJQ-CZBREUMFSA-N 599.065 4.034 70 1 KIIF O=C(/C=C/c1cnc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 42784561 WIWLEFDYNDBBIF-JXMROGBWSA-N 533.572 4.431 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(CCC(F)=C(F)F)CC1 217616498 BEKHFLZVCDZQGO-UHFFFAOYSA-N 520.533 4.256 70 1 KIIF O=C1[C@@H]2Cc3nc[nH]c3[C@@](c3cc(S(=O)(=O)Cl)cn3CC3CCCCC3)(C(Cl)(Cl)Cl)N2C(=O)[C@@H]2CCCN12 963209477 XHCYEMJBAIIXMH-BSRJHKFKSA-N 623.390 4.091 70 1 KIIF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(S(=O)(=O)F)ccc3Cl)nc1-2 587177799 AEGMZEXXXLUUSF-UHFFFAOYSA-N 552.954 4.464 70 1 KIIF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)NCCN1CCCC1 218128811 IBDZSVOHRPWDJU-JLPGSUDCSA-N 521.625 4.198 70 1 KIIF Cc1cc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)ccc1S(=O)(=O)Cl 586928032 NZQZNUAWDISEMN-UHFFFAOYSA-N 548.991 4.437 70 1 KIIF CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O 160937622 GRKWALBGUZROQR-FUQONNQVSA-N 676.899 4.486 70 1 KIIF CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 159940478 WNMRIPWCDGAXJQ-RKSWUXCWSA-N 711.816 4.104 70 3 KIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586926677 NXJAYUAZWGWSFJ-UHFFFAOYSA-N 505.221 4.406 70 1 KIIF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]34C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c3ccccc34)c(O)c2C(=O)O1 962938408 WGGFJEAJRJGGNA-ABBOYYHSSA-N 654.484 4.136 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCC2CCC(COc3ccc(S(=O)(=O)F)cc3)CC2)c(Cl)c1 43300626 WCYBQSFAVSHTHH-UHFFFAOYSA-N 552.072 4.448 70 1 KIIF C[C@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4sc(N)nc34)cc2)CC1)C(F)(F)F 217764615 TUSQRPFZKMOGAZ-CQSZACIVSA-N 542.605 4.235 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(S(=O)(=O)Cl)cc1Br 587896545 RPWILITVIOUIPU-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587723266 WHSCRGVGSUXCHP-BCTVWOGZSA-N 543.289 4.357 70 1 KIIF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ncccn5)CC4)cc32)c1C 218174751 TXFSJTQZBXDEEH-PLRJNAJWSA-N 541.700 4.370 70 1 KIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 586928000 NRRLZHSMDLVJCX-UHFFFAOYSA-N 622.512 4.418 70 1 KIIF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)OCc1ccccc1)[C@@H](C)CC 95575913 KSFWIZVNOWFVCW-QHCKMTAXSA-N 700.915 4.377 70 1 KIIF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587723268 WHSCRGVGSUXCHP-VPTHRUTESA-N 543.289 4.357 70 1 KIIF CC(C)C(NC(=O)OCc1ccccc1)=P(O)(O)C[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C 169721619 BJOVFJWLLKYJDG-ZCYQVOJMSA-N 571.611 4.097 70 1 KIIF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587714803 AZGJUDWCZGEJSV-ZKANADHPSA-N 543.289 4.357 70 1 KIIF CC(=O)c1ccc2c(c1)[C@@](CBr)(c1ccc(S(=O)(=O)F)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962620464 AAIBZCAQLIRFGW-GBXCKJPGSA-N 570.433 4.432 70 1 KIIF CC(C)CC(NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)=P(O)(O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721606 ZTOIXRZMGPOJJF-CDSZWMAJSA-N 805.932 4.081 70 1 KIIF CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCCCCc2ccc(S(=O)(=O)F)cc2)c1=O 36123980 MIRSNUJPURWAGL-UHFFFAOYSA-N 504.628 4.415 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 962890003 AGOAUIBRELWAKB-QXNWPYRLSA-N 728.639 4.001 70 1 KIIF CC(C)CC(NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)=P(O)(O)C[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721607 ZTOIXRZMGPOJJF-LENAEUCASA-N 805.932 4.081 70 1 KIIF CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 217624368 MYCHTHBXMCYLSD-UHFFFAOYSA-N 509.600 4.500 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 217620826 UUCXHQSXFCYWGI-UHFFFAOYSA-N 523.014 4.208 70 1 KIIF CC(C)C[C@@H](/C=C/S(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 653900933 MORYEMSLUVLYKD-FUJGKGNSSA-N 555.713 4.202 70 1 KIIF CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ncnc(OCC5CC5)c4F)C3)cc2)s1 218549708 XYOACPDEQLUUQB-YCRPNKLZSA-N 554.648 4.277 70 1 KIIF O=C(Cn1ccnc1[N+](=O)[O-])NCCC[Si](F)(c1cccc2ccccc12)c1cccc2ccccc12 205875852 DMTKGOPBPIAMPT-UHFFFAOYSA-N 512.617 4.333 70 1 KIIF Cc1ccnc2c1CCN[C@@]2(c1cc(Br)c(S(=O)(=O)Cl)[nH]1)C(Cl)(Cl)Cl 963069398 MHMFMRIFZPKNII-CYBMUJFWSA-N 508.052 4.168 70 1 KIIF O=C(/C=C/c1ccc2ccccc2n1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 42784694 NNMGGNROJQCPDV-ZRDIBKRKSA-N 533.572 4.431 70 1 KIIF CC(C)C[C@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721601 LTCMOODNCUQWFQ-GRGGVALCSA-N 839.949 4.278 70 1 KIIF Cc1ccnc2c1CCN[C@]2(c1cc(Br)c(S(=O)(=O)Cl)[nH]1)C(Cl)(Cl)Cl 963069399 MHMFMRIFZPKNII-ZDUSSCGKSA-N 508.052 4.168 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)csc1S(=O)(=O)Cl 587894938 AMGIRAHNNWYBNQ-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)ccc1OC 195228134 HRERHQDIXSLXML-NRFANRHFSA-N 516.663 4.275 70 1 KIIF COc1ccc2c(c1OC)[C@](C)(c1ncc(S(=O)(=O)Cl)s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772833 APJRNXLWSLIREZ-RUZDIDTESA-N 560.053 4.100 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cc(F)cc3cccnc23)cc1)N1CCC(O)(c2ccccc2)CC1 217623250 ASJNIUGCRXYBMH-UHFFFAOYSA-N 505.571 4.299 70 1 KIIF CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587896450 OZWJDVIDUHMETQ-UHFFFAOYSA-N 504.819 4.047 70 1 KIIF CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 161020724 MYAVIZSWDHVTAO-QBOWUWCZSA-N 702.893 4.116 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1 43300631 DLPUGSCFZXDCJS-UHFFFAOYSA-N 500.427 4.403 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(C(=O)O)cc1S(=O)(=O)Cl 587895819 JVWQDSICZUMAGJ-UHFFFAOYSA-N 539.618 4.092 70 1 KIIF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587508175 SNRUWZWZJHPHKF-KRWDZBQOSA-N 501.435 4.417 70 1 KIIF O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 14096587 AFKRYMMWFODFAD-CSKARUKUSA-N 521.561 4.364 70 1 KIIF CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 95571599 LHPQSZLPESTTKY-LJWNLINESA-N 656.862 4.220 70 1 KIIF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C 218150522 PVFJPKMFIOGIEC-XYGWBWBKSA-N 530.673 4.411 70 1 KIIF COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)ccc1OC 195228143 HRERHQDIXSLXML-OAQYLSRUSA-N 516.663 4.275 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 962889991 AGOAUIBRELWAKB-DLLPINGYSA-N 728.639 4.001 70 1 KIIF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587556101 NMQBSHSSKBIGQV-PXNSSMCTSA-N 541.412 4.240 70 1 KIIF O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2OS(=O)(=O)C(F)(F)F)CC1)c1ccccn1 36187818 XVQSMINAAIZGAS-UHFFFAOYSA-N 540.608 4.046 70 1 KIIF CC[C@@H](C)C(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O 161469686 HUTZMLRJWQPMIE-VCYWBOSISA-N 752.810 4.141 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)c(Cl)c1 43307779 IPIDACHJKIQTMP-UHFFFAOYSA-N 559.023 4.015 70 1 KIIF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587508178 SNRUWZWZJHPHKF-QGZVFWFLSA-N 501.435 4.417 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 962904045 XRBFEOSFOZTUKK-GTYOFVGBSA-N 728.639 4.001 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(CO)(Cc2ccccc2)CC1 217624600 NXHOWUARWCORFV-UHFFFAOYSA-N 515.635 4.493 70 1 KIIF CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(F)cc4sc(N)nc34)cc2)CC1 217712647 NMJCCLGAAUTDFZ-UHFFFAOYSA-N 542.605 4.221 70 1 KIIF COc1c(Cl)cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 587896324 OPUZYWOEHMRXNT-UHFFFAOYSA-N 526.181 4.202 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc23)cc1)N1CCC(O)(c2ccccc2)CC1 217631705 KXJBCHBLNORODC-UHFFFAOYSA-N 505.571 4.299 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(C[C@H]2CC2(F)F)CC1 217642654 AFQXYFLJXZZBCV-IBGZPJMESA-N 501.555 4.048 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(CO)(c2ccccc2)CC1 217623468 WRLNVILCTUQPAD-UHFFFAOYSA-N 501.608 4.202 70 1 KIIF COc1cc2c3c(c1)OC1(c4cc(S(=O)(=O)Cl)ccc4-c4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587449322 OLMZJDKVODYRQE-IBGZPJMESA-N 537.398 4.222 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 43307626 KRIHPSHIXHMOJW-UHFFFAOYSA-N 526.034 4.202 70 1 KIIF O=C(/C=C/c1ccc2[nH]ccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 43683113 MFVZCUGAIPDSAL-XBXARRHUSA-N 521.561 4.364 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(Br)c1S(=O)(=O)Cl 587895047 BXJDKJRRMIUXDC-UHFFFAOYSA-N 539.618 4.092 70 1 KIIF COc1cc(Cc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925217 NDLZWRZNYDXVMW-UHFFFAOYSA-N 598.125 4.098 70 1 KIIF CC(C)[C@@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721622 ADTCPPNUAWLLJN-BJJUCXOISA-N 747.830 4.297 70 1 KIIF CN1CCN(c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)CC1 586926654 NQXFCUFVTKNNOO-UHFFFAOYSA-N 504.237 4.325 70 1 KIIF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1 218128707 JLEKGHANVLWCRU-XYGWBWBKSA-N 506.610 4.365 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(COc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1 43300591 UPOLIGTXRYISGC-UHFFFAOYSA-N 546.024 4.342 70 1 KIIF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587556106 NMQBSHSSKBIGQV-YLJYHZDGSA-N 541.412 4.240 70 1 KIIF CC(=O)c1ccc2c(c1)[C@]1(CCc3ccc(S(=O)(=O)Cl)cc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636122 PBUKLJNGYYBFJV-OFVILXPXSA-N 520.003 4.253 70 1 KIIF CCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1S(=O)(=O)Cl 586928119 ZJSHNMRJNZPBPV-UHFFFAOYSA-N 586.095 4.318 70 1 KIIF CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O 160914354 HGEAPJQFWJZLFY-FSEITFBQSA-N 807.949 4.390 70 1 KIIF CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2OC(F)F)CC1 217635376 UZTZRFUFOQSYLV-UHFFFAOYSA-N 534.585 4.045 70 1 KIIF O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962630535 KCHITCIQRWKHSR-HOFKKMOUSA-N 511.043 4.469 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 43307575 IAASIROUWADJRR-UHFFFAOYSA-N 559.023 4.015 70 1 KIIF COc1ccc2c(c1OC)[C@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775507 IWHOABJZHVSVJQ-PMERELPUSA-N 603.056 4.290 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 963331124 XGVLLEJXYYWBEV-HKBQPEDESA-N 682.639 4.115 70 1 KIIF Cc1cc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928168 QQMCEDCFUKHHBL-UHFFFAOYSA-N 572.068 4.064 70 1 KIIF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](Cc1ccccc1)S(=O)(=O)F 1772627443 OYRJMDDEKLCPHP-ORYMTKCHSA-N 690.879 4.416 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC(F)(F)F)CC1 217625463 UDCZALFZZQLUEL-UHFFFAOYSA-N 513.563 4.407 70 1 KIIF C[C@@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4sc(N)nc34)cc2)CC1)C(F)(F)F 217764531 TUSQRPFZKMOGAZ-AWEZNQCLSA-N 542.605 4.235 70 1 KIIF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CC(C)C)S(=O)(=O)F 1772577031 KVHVCKBQBDBPCR-LJWNLINESA-N 656.862 4.220 70 1 KIIF COc1ccc2c(c1OC)[C@@](C)(c1ncc(S(=O)(=O)Cl)s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772834 APJRNXLWSLIREZ-VWLOTQADSA-N 560.053 4.100 70 1 KIIF O=C1[C@@H]2Cc3nc[nH]c3[C@](c3cc(S(=O)(=O)Cl)cn3CC3CCCCC3)(C(Cl)(Cl)Cl)N2C(=O)[C@@H]2CCCN12 963209479 XHCYEMJBAIIXMH-IUKKYPGJSA-N 623.390 4.091 70 1 KIIF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]34C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c3ccccc34)c(O)c2C(=O)O1 962938409 WGGFJEAJRJGGNA-KWMUNWTBSA-N 654.484 4.136 70 1 KIIF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)CC2=O 587464114 IRUPKKGRVYVKNA-MRXNPFEDSA-N 505.423 4.196 70 1 KIIF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl 962701487 RCWHNUFRUGJQEZ-LNLFQRSKSA-N 512.308 4.168 70 1 KIIF O=C(/C=C/c1ccc2ncccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 42784571 PCVICCVMMOFTLF-UXBLZVDNSA-N 533.572 4.431 70 1 KIIF Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CCCC(F)(F)F)CC4)cc3)cccc2s1 217769107 LJLPOHABEXCGTL-UHFFFAOYSA-N 542.605 4.379 70 1 KIIF CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3ccc(Br)s3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 160985447 UJRLMXZYRGWBGL-UJRADSPFSA-N 695.566 4.071 70 1 KIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 586924567 FWEUOAIJMFPXDT-UHFFFAOYSA-N 518.547 4.472 70 1 KIIF CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4nc(N)ncc4Cl)sc23)c1 217126076 IPVRCFZXAYJSOI-NRFANRHFSA-N 530.075 4.388 70 1 KIIF COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCN(C(=O)CN(C)C)CC4)c3c2)cc(Cl)c1O 217400022 UQVVVEQIKFQOQQ-UHFFFAOYSA-N 523.033 4.072 70 1 KIIF Cc1cc(-c2nc3cc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927502 FUPAFONNUUCJOM-UHFFFAOYSA-N 538.073 4.466 70 1 KIIF CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1 218627196 GUCPLHMARDTTJH-GOSISDBHSA-N 527.622 4.210 70 1 KIIF CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)NNC(=O)C1 586927322 WXVDJLHPQHKPFF-UHFFFAOYSA-N 516.204 4.329 70 1 KIIF CCOC(=O)c1cc(Br)c2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2c1 586925482 RHFUJKWPXHUUFM-UHFFFAOYSA-N 517.785 4.038 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2scnc2Cl)CC1 217760704 MFDQUDMUBKHLAJ-UHFFFAOYSA-N 535.072 4.331 70 1 KIIF CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(F)cc4sc(N)nc34)cc2F)CC1 217836942 CBLLGXQUKJBTGE-UHFFFAOYSA-N 560.595 4.360 70 1 KIIF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587714794 AZGJUDWCZGEJSV-BCTVWOGZSA-N 543.289 4.357 70 1 KIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@H](O[SiH2]C(C)(C)C)C2=O)cc1[N+](=O)[O-] 195326227 KVMOTGRGWWUMHB-IBGZPJMESA-N 501.608 4.200 70 1 KIIF COc1cc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924357 CIJQHBOKMFLDBK-UHFFFAOYSA-N 525.606 4.018 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2NCCc3ccc(O)cc32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 963331126 XGVLLEJXYYWBEV-WJOKGBTCSA-N 682.639 4.115 70 1 KIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@@H](O[SiH2]C(C)(C)C)C2=O)cc1[N+](=O)[O-] 195326218 KVMOTGRGWWUMHB-LJQANCHMSA-N 501.608 4.200 70 1 KIIF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]12C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 963063817 DHJRAMPRQBAMJQ-YHGPEZAFSA-N 599.065 4.034 70 1 KIIF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1)CC2=O 587464113 IRUPKKGRVYVKNA-INIZCTEOSA-N 505.423 4.196 70 1 KIIF COc1cc(Cc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924997 KKWWFGNMXAUJOA-UHFFFAOYSA-N 612.152 4.141 70 1 KIIF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587714796 AZGJUDWCZGEJSV-PWJLMRLQSA-N 543.289 4.357 70 1 KIIF Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586926132 HRWPDAPQTHVVRL-UHFFFAOYSA-N 592.486 4.409 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)sc1Br 587896209 MOHUQDSTYGOQEN-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF Cc1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OS(=O)(=O)C(F)(F)F 587892245 OOVSAYQKBXBBJC-UHFFFAOYSA-N 525.288 4.149 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1 217630023 CXFNLQVBBXXSRO-UHFFFAOYSA-N 519.598 4.385 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nc(O)oc2c(Cl)c1S(=O)(=O)Cl 587896825 VQDSATCPUAOHQF-UHFFFAOYSA-N 508.166 4.132 70 1 KIIF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl 962701489 RCWHNUFRUGJQEZ-SCTDSRPQSA-N 512.308 4.168 70 1 KIIF Cc1cc(C(=O)N2CCC(O)(c3cccc(F)c3F)CC2)ccc1NS(=O)(=O)c1cccc2nccnc12 217630578 OPBSYUPSUQHJTM-UHFFFAOYSA-N 538.576 4.141 70 1 KIIF Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587181458 ZIYQNLDVRQNXRR-UHFFFAOYSA-N 576.031 4.140 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c(Br)s1 587895155 CSRIPHDJBQBIPB-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF COc1ccc(C[C@@H]2c3cc(OS(=O)(=O)C(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC 96913954 MAHPDXONLUHPJG-HSZRJFAPSA-N 608.635 4.399 70 1 KIIF Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1 217617046 OPUMUASMHNXUNF-UHFFFAOYSA-N 543.070 4.457 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1 217615837 LXGCANGCEVDECH-UHFFFAOYSA-N 541.004 4.347 70 1 KIIF O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962630547 KCHITCIQRWKHSR-YIXXDRMTSA-N 511.043 4.469 70 1 KIIF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl 962701482 RCWHNUFRUGJQEZ-JENIJYKNSA-N 512.308 4.168 70 1 KIIF COc1ncccc1-c1c(C(N)=O)sc2cnc(Nc3cccc(N4CCN(C)CC4)c3OC(C)C)nc12 217635869 DRVZVFNOIVQRIO-UHFFFAOYSA-N 533.658 4.143 70 1 KIIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl 587896227 NBCZVEAQRPSOKL-UHFFFAOYSA-N 509.194 4.071 70 1 KIIF O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962630539 KCHITCIQRWKHSR-KCWPFWIISA-N 511.043 4.469 70 1 KIIF O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)Oc1c(F)c(F)c(F)c(F)c1F 962904027 XRBFEOSFOZTUKK-FWUCURJTSA-N 728.639 4.001 70 1 KIIF CC(C)C(NC(=O)OCc1ccccc1)=P(O)(O)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C 169721618 BJOVFJWLLKYJDG-NOZRDPDXSA-N 571.611 4.097 70 1 KIIF CCOC(=O)C(C(=O)c1ccccc1C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 73280170 OARBMTDZDXDRRV-UHFFFAOYSA-N 510.526 4.386 70 1 KIIF COC(=O)c1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)ccc1OC 195162581 FDUANPHSAFZACC-FQEVSTJZSA-N 514.647 4.079 70 1 KIIF O=S(=O)(Nc1ccc(-c2nc(OC3CCC(O)CC3)c3cn[nH]c3n2)cc1)c1cc(Cl)ccc1F 217934820 IKBMUGXVSJZWGW-UHFFFAOYSA-N 517.970 4.296 70 1 KIIF COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 95552295 UWPNBUBRZHEORK-XMMPIXPASA-N 675.711 4.351 70 1 KIIF in-vitro CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1cccnc1)C(C)(C)O3 161242993 VSEGGASILQCUMU-NEHWFWQVSA-N 715.752 4.260 70 1 KIIF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587556103 NMQBSHSSKBIGQV-XLIONFOSSA-N 541.412 4.240 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)c2)c(Cl)c1 43834694 PVQRYUPRHPSKFJ-UHFFFAOYSA-N 559.023 4.015 70 1 KIIF CC(=O)c1ccc2c(c1)[C@@]1(CCc3ccc(S(=O)(=O)Cl)cc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636124 PBUKLJNGYYBFJV-SQJMNOBHSA-N 520.003 4.253 70 1 KIIF CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C 218174890 XUVYXWZGNUIRBK-ANYBSYGZSA-N 588.797 4.386 70 1 KIIF CC(C)C[C@@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 169721600 LTCMOODNCUQWFQ-PUBVIUOISA-N 839.949 4.278 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(S(=O)(=O)Cl)c1Br 587896304 ONSOJTSRSQFNMG-UHFFFAOYSA-N 501.638 4.455 70 1 KIIF COc1ccc(C[C@H]2c3cc(OS(=O)(=O)C(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC 96913955 MAHPDXONLUHPJG-QHCPKHFHSA-N 608.635 4.399 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(Cc2nc(Cl)cs2)CC1 217788735 DZYBCPZGQPEFAU-UHFFFAOYSA-N 549.099 4.417 70 1 KIIF COc1cc2c(cc1OC)[C@@](C)(c1ccc(F)c(S(=O)(=O)Cl)c1)N(C(=O)c1ccccc1N)CC2 963161848 WHLGLWGCHWTCAF-RUZDIDTESA-N 518.994 4.315 70 1 KIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(S(=O)(=O)Cl)cc1C(=O)O 587896886 WAZKKFWENRKUOC-UHFFFAOYSA-N 539.618 4.092 70 1 KIIF COC(=O)c1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)ccc1OC 195162592 FDUANPHSAFZACC-HXUWFJFHSA-N 514.647 4.079 70 1 KIIF Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586926706 DGYSYBQUTNFHKT-UHFFFAOYSA-N 592.486 4.409 70 1 KIIF CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCCCC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O 36123971 AHPJUSSESRHGJN-UHFFFAOYSA-N 518.611 4.055 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(C[C@@H]2CC2(F)F)CC1 217642562 AFQXYFLJXZZBCV-LJQANCHMSA-N 501.555 4.048 70 1 KIIF COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(Cc2ccccc2)CC1 217638470 UVLZVNXOZCHYGK-UHFFFAOYSA-N 531.634 4.254 70 1 KIIF CC(=O)c1ccc2c(c1)[C@](CBr)(c1ccc(S(=O)(=O)F)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962620467 AAIBZCAQLIRFGW-RDPSFJRHSA-N 570.433 4.432 70 1 KIIF CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1 43307539 JKEFGVQEUDULPU-UHFFFAOYSA-N 559.023 4.015 70 1 KIIF O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962630543 KCHITCIQRWKHSR-WNCULLNHSA-N 511.043 4.469 70 1 KIIF CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 159940614 WNMRIPWCDGAXJQ-GRTFZWMOSA-N 711.816 4.104 70 3 KIIF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587556093 NMQBSHSSKBIGQV-FXAWDEMLSA-N 541.412 4.240 70 1 KIIF COc1cc2c(cc1OC)[C@](C)(c1ccc(F)c(S(=O)(=O)Cl)c1)N(C(=O)c1ccccc1N)CC2 963161849 WHLGLWGCHWTCAF-VWLOTQADSA-N 518.994 4.315 70 1 KIIF COc1ccc2c(c1OC)[C@@]1(C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775509 IWHOABJZHVSVJQ-SSEXGKCCSA-N 603.056 4.290 70 1 KIIF CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1 218627263 GUCPLHMARDTTJH-SFHVURJKSA-N 527.622 4.210 70 1 KIIF CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2OC(F)F)CC1 217719638 JWVJMPXJMPPZCN-UHFFFAOYSA-N 570.565 4.435 70 1 KIIF CC(C)C[C@@H]1C(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)NC1=O 160921802 FIFDQVYEDNVCBA-LTBFCVEOSA-N 827.036 4.495 70 1 KIIF O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(CCCC(F)(F)F)CC1 217621282 NKRQCHQORXXCTR-UHFFFAOYSA-N 522.549 4.130 70 1 KIIF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OS(=O)(=O)C(F)(F)F 587723267 WHSCRGVGSUXCHP-PWJLMRLQSA-N 543.289 4.357 70 1 KIIF