smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1cc(C(F)(F)F)ccc1Cl 218296675 UMFCFLUBHQMMMW-UHFFFAOYSA-N 440.915 4.354 70 40 IIIB O=C(c1cncc(Br)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217795712 IMRZYMJSVYPCKU-CYBMUJFWSA-N 445.292 4.128 70 40 IIIB Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 218517052 JNPRPISBJUIJIY-FQEVSTJZSA-N 428.598 4.311 70 40 IIIB O=C(Nc1ccc(S(=O)(=O)F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 104169777 IMGZIBLFORSJJW-XSFVSMFZSA-N 426.425 4.432 70 40 IIIB COc1ccc2cc(C(=O)N3CCC(N4CCC[C@H]4COCc4ccccc4)CC3)[nH]c2c1 217600537 FQABVQGLVQHQBT-QHCPKHFHSA-N 447.579 4.462 70 40 IIIB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(Cl)c1Cl 216938427 XGPHKHCMGMCROD-UHFFFAOYSA-N 445.368 4.276 70 40 IIIB CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 216948490 QFBFJJDKGAMYBI-UHFFFAOYSA-N 429.369 4.408 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)CC(C)(C)O2 218745209 GNRMSGNQVTWVFZ-FQEVSTJZSA-N 448.560 4.099 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4C)o3)C2)cc1 216646592 XMYNXNOSKISTAF-KRWDZBQOSA-N 427.526 4.012 70 40 IIIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O 218481717 FIFMXMPEEMJHJK-LBPRGKRZSA-N 431.341 4.104 70 40 IIIB COc1ccccc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 218575494 OXNFABLVGQOZGN-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 217855802 OZDWQDVMQRDDGN-HNNXBMFYSA-N 437.974 4.236 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 218575933 HGCDUKJPRHVGHY-LJQANCHMSA-N 438.549 4.302 70 40 IIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2 218214139 BSYHPCKFXFJGFZ-INIZCTEOSA-N 437.277 4.332 70 40 IIIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217849641 BVIDPZMFWPNASV-CYBMUJFWSA-N 432.406 4.032 70 40 IIIB Cc1cccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)c1 218198760 SXLDTWHDTOXNHO-UHFFFAOYSA-N 432.343 4.357 70 40 IIIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O 218481805 FIFMXMPEEMJHJK-GFCCVEGCSA-N 431.341 4.104 70 40 IIIB CN(CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 218093362 AAMFOERKUDNWJI-AREMUKBSSA-N 445.588 4.327 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 218518508 MHUYKDRQWORADD-HXUWFJFHSA-N 444.597 4.065 70 40 IIIB CCOc1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OCC 217021125 CFDHDXSCUFHQCJ-UHFFFAOYSA-N 440.584 4.206 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1I 218217815 JJNOTABWFZGJLY-INIZCTEOSA-N 437.277 4.332 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 218652810 LZBPXOJXJYYCLA-GOSISDBHSA-N 438.549 4.021 70 40 IIIB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217796743 QMCGUOQNKXIZOH-HNNXBMFYSA-N 429.879 4.389 70 40 IIIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1OC 218191105 YRSYUNJIWUYMFR-XYOKQWHBSA-N 443.887 4.088 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 218592474 QGNLXUFXGZFMJS-LJQANCHMSA-N 438.549 4.302 70 40 IIIB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218707274 SKGVMKHDBNKCES-GFCCVEGCSA-N 434.265 4.064 70 40 IIIB COc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218421935 SEUKNGNBKKVZAZ-XMMPIXPASA-N 436.533 4.335 70 40 IIIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 216948400 GKWLKMZJMGFFRL-UHFFFAOYSA-N 443.396 4.086 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 218549292 QLHBUZWQBQKVLR-UYAOXDASSA-N 444.597 4.185 70 40 IIIB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 218504793 LVGSNSUXSKLXIR-UHFFFAOYSA-N 434.989 4.186 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 218369492 GAUZXFWSFWCRAR-GHTZIAJQSA-N 444.597 4.185 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 218518441 YMJSOAAXPYCHKT-FQEVSTJZSA-N 444.597 4.065 70 40 IIIB Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C1CC1 217897776 NBXNGSRVTZJFKY-UHFFFAOYSA-N 439.459 4.300 70 40 IIIB O=C(c1cncc(Br)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217795645 IMRZYMJSVYPCKU-ZDUSSCGKSA-N 445.292 4.128 70 40 IIIB COc1ccccc1-c1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)n(C)n1 217880060 ZAAFCRTXQWIKRI-UHFFFAOYSA-N 447.564 4.328 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 218347917 FEYGJDKNSBGDCX-LJQANCHMSA-N 438.549 4.017 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)c(OC)c1 218075253 RSPGQUWEVPLAMZ-HNNXBMFYSA-N 427.526 4.034 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 218304285 XCUMZXUODZNTKD-IBGZPJMESA-N 438.549 4.017 70 40 IIIB CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc2O1 218634954 DQGWESJOZMVFJG-IBGZPJMESA-N 448.972 4.157 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)cc1 218409541 ZQLLKOLPZHMFCA-UHFFFAOYSA-N 437.565 4.052 70 40 IIIB Cc1ccc(C)c(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218552255 UETUFJUFOBIMPZ-HXUWFJFHSA-N 430.614 4.330 70 40 IIIB CCOc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218296438 LEHFAKQGASPKPF-IBGZPJMESA-N 446.613 4.112 70 40 IIIB Cc1ccc(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218423726 IMOCPMSMPNVDNY-XMMPIXPASA-N 436.533 4.171 70 40 IIIB O=S(=O)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F 95681754 KTCQQCLZUOZFEI-GSVOUGTGSA-N 446.112 4.361 70 40 IIIB Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(/C=C\c2ccc(S(=O)(=O)F)cc2)n1 104107738 SHYCOAMFDXJFRQ-BAQGIRSFSA-N 439.299 4.443 70 40 IIIB COc1cccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)c1 218205596 DHRYVMBYTYMOPG-UHFFFAOYSA-N 435.908 4.430 70 40 IIIB CN1CCC(Oc2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1 216931911 JRLLNTRZBOVDCA-UHFFFAOYSA-N 436.293 4.017 70 40 IIIB Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 218503244 GCPWYHJHMGQYHP-UHFFFAOYSA-N 432.611 4.000 70 40 IIIB Cc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 218603315 ABLSTALSIGWZRF-UHFFFAOYSA-N 437.565 4.052 70 40 IIIB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(S(=O)(=O)Cl)cc1 100917313 KPUBNFODPLTKIC-UHFFFAOYSA-N 426.712 4.242 70 40 IIIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)COc1ccc(Cl)cc1 217833719 AKIUIVOAISWBQN-UHFFFAOYSA-N 436.693 4.190 70 40 IIIB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(F)cc2)cc1 218388146 XDCFFHDEPOAYOW-UHFFFAOYSA-N 448.560 4.259 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1C)CC(C)(C)O2 218623333 VQSSPFDGMGAQFA-NRFANRHFSA-N 442.581 4.120 70 40 IIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1I)CC(C)(C)O2 218217713 ICYDXVYPNDBQME-MRXNPFEDSA-N 437.277 4.332 70 40 IIIB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)F)cc1Cl 95671369 GEQPSNRMYIPGOH-UHFFFAOYSA-N 425.652 4.267 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)c(OC)c1 218738986 PWGXZFAGHMZQLR-UHFFFAOYSA-N 445.903 4.225 70 40 IIIB Cc1ccc2cccc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)c2n1 217592850 DJBGQTPVXJRTNL-UHFFFAOYSA-N 436.581 4.148 70 40 IIIB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 218483565 CLUOZAINRJQPAG-CQSZACIVSA-N 438.977 4.267 70 40 IIIB Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCCC1 218517460 CILFKAHQFHGFNU-UHFFFAOYSA-N 444.597 4.277 70 40 IIIB CN(c1ccccc1C(=O)NCCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 218347270 GEOZMFMAPHGOSP-UHFFFAOYSA-N 426.513 4.013 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 218630991 LBBXAZDAMQJVRP-HXUWFJFHSA-N 444.597 4.065 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 216648824 JIQOPIMYVRWWES-SFHVURJKSA-N 427.526 4.012 70 40 IIIB CN1CCC(Oc2ccc(NC(=O)c3ccccc3I)cc2)CC1 216932021 JADYSTYNOLESND-UHFFFAOYSA-N 436.293 4.017 70 40 IIIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O 218481354 SVSNDMQRLWWLEV-LBPRGKRZSA-N 431.341 4.104 70 40 IIIB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc(Cl)cc2)CN1C 217727994 MQDRWEFRQBWUBJ-WPWBMXPQSA-N 447.922 4.119 70 40 IIIB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 217835052 KPQWAVCBOPUDPK-SFHVURJKSA-N 441.553 4.005 70 40 IIIB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccc(F)cc1 218651949 JJBSQCCKXGHOOU-UHFFFAOYSA-N 426.513 4.017 70 40 IIIB CC(C)Oc1cccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 218346796 IHIDCGNOEMDAMX-UHFFFAOYSA-N 438.549 4.229 70 40 IIIB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 218507524 XQSGWXZYZIFXDS-UHFFFAOYSA-N 427.353 4.016 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 216632780 PRYANIXPNHNVGV-UHFFFAOYSA-N 427.526 4.012 70 40 IIIB Cc1cc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c(C)c1 218438109 RLVVVGIUZIODTK-QFIPXVFZSA-N 436.533 4.207 70 40 IIIB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218296077 ZWMFJIYEDANDLV-GCJKJVERSA-N 432.586 4.124 70 40 IIIB COc1ccc(C)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 218224770 IHGDRZGRXOMMLW-UHFFFAOYSA-N 444.597 4.428 70 40 IIIB Cc1ccc(CN(c2ccc(C(=O)NCCSC(C)(C)C)cc2)S(C)(=O)=O)cc1 218314842 HVGAUTYEIDPOOH-UHFFFAOYSA-N 434.627 4.223 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 218652622 BWTQVWQULNRNDG-GOSISDBHSA-N 438.549 4.021 70 40 IIIB O=C(Nc1ccc(S(=O)(=O)F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 104170253 XNLVDHABIYMFCK-XSFVSMFZSA-N 426.425 4.432 70 40 IIIB CCc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)s1 217803365 PVVMXIJMYMWPHV-AWEZNQCLSA-N 435.546 4.143 70 40 IIIB O=C(NCCCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218523251 IRKWCMIPSWVEMY-UHFFFAOYSA-N 441.380 4.141 70 40 IIIB CSc1ccc(CCC(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1 217592745 NFOINBQGEDOUGN-UHFFFAOYSA-N 445.654 4.332 70 40 IIIB COc1cccc2cc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)oc12 217592450 MNFXXAWQUXJOMB-UHFFFAOYSA-N 441.553 4.046 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(C)cc3)n2)c(OC)c1 218152004 HMNZUMOYAPAEEP-UHFFFAOYSA-N 427.526 4.203 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 218631051 LBBXAZDAMQJVRP-FQEVSTJZSA-N 444.597 4.065 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 218513018 GQVVSGBJPQFHKB-HXUWFJFHSA-N 442.581 4.120 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 218549449 QLHBUZWQBQKVLR-AZUAARDMSA-N 444.597 4.185 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 218584628 KRUYMIGIKLMXGS-GOSISDBHSA-N 438.549 4.302 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1C 217591910 ZJOAMPFDKHNXPM-UHFFFAOYSA-N 446.588 4.139 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218381248 GKGFEZAJMTZDHF-FQEVSTJZSA-N 430.614 4.330 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(I)cc1 218214306 KKDOWRQLTDDZRV-INIZCTEOSA-N 437.277 4.332 70 40 IIIB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NC[C@H]1C[C@H]3C=C[C@@H]1C3)C(=O)OC2 217759371 ODOWIDUJGXNPKY-ZJBNGSJKSA-N 439.552 4.280 70 40 IIIB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217801074 ZTLKGZDVRWHTJL-CYBMUJFWSA-N 434.393 4.384 70 40 IIIB CCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 218293209 ZJDZCFZSXLUUPT-GFCCVEGCSA-N 431.341 4.185 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 218414959 WDGWJPDBJSXADZ-IBGZPJMESA-N 438.549 4.302 70 40 IIIB COc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218421855 SEUKNGNBKKVZAZ-DEOSSOPVSA-N 436.533 4.335 70 40 IIIB Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1NS(=O)(=O)c1ccccc1 218592321 NOIOIZJCZQZSMA-IBGZPJMESA-N 438.549 4.302 70 40 IIIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O 218481262 BKSRBTBGGJSAKR-GFCCVEGCSA-N 431.341 4.104 70 40 IIIB C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218384480 HDOAAKJLOWVNAZ-HNNXBMFYSA-N 436.961 4.455 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCc2ccc(F)cc2)cc1 218414039 KJOPICPIHQSTTG-UHFFFAOYSA-N 426.513 4.298 70 40 IIIB Nc1ccc(OCc2ccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)cc2)c(Cl)c1 104136580 BGQQRDJMVQGWST-UHFFFAOYSA-N 434.876 4.412 70 40 IIIB C[C@H](C(=O)NCCSc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487325 ZOXAHUFVTOKCNP-CYBMUJFWSA-N 447.409 4.056 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 218584544 WDGQQBWQVQGSPU-SFHVURJKSA-N 438.549 4.302 70 40 IIIB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217572239 VTMIMYUXFMQXEU-SESVDKBCSA-N 435.955 4.123 70 40 IIIB COC(=O)c1ccc(N2N=C(c3ccc(S(=O)(=O)F)cc3)C[C@H]2c2ccccc2)cc1 100511333 SQAQVEPXTIQCSE-QFIPXVFZSA-N 438.480 4.487 70 40 IIIB COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 218053690 ACPVXEYCFGHXGP-MQHKMBAJSA-N 433.596 4.462 70 40 IIIB O=C(COc1ccc(Cl)cc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217597586 GMCKJKASCLAEMK-HSZRJFAPSA-N 442.987 4.391 70 40 IIIB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 218484475 GQJUSCVVZIQTOV-OAHLLOKOSA-N 438.977 4.484 70 40 IIIB CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)c(OC)c1 218215108 LEYJTTMMKIVQLO-HNNXBMFYSA-N 425.266 4.190 70 40 IIIB C[C@@H](C(=O)NCCSc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487232 ZOXAHUFVTOKCNP-ZDUSSCGKSA-N 447.409 4.056 70 40 IIIB Cc1ccc(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 218559363 DCLANNPAICNWIX-OAQYLSRUSA-N 444.597 4.268 70 40 IIIB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 218356756 ZXZLZHONFBJDKA-SFHVURJKSA-N 436.533 4.019 70 40 IIIB O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Cl)c(C(F)(F)F)c1 218193950 ZDCONQQFWKUBNF-NSHDSACASA-N 439.912 4.010 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 218304085 OOZXXMJPSBYEJZ-LJQANCHMSA-N 438.549 4.017 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)COc2ccccc2C)cc1 218414768 RBTQZNFDJXDFHI-LJQANCHMSA-N 438.549 4.302 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1I 218217903 JJNOTABWFZGJLY-MRXNPFEDSA-N 437.277 4.332 70 40 IIIB COc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 218575693 LSJBRJNFCJFPEW-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 217632765 MUJPRQZCKJPSAR-SFHVURJKSA-N 445.484 4.303 70 40 IIIB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218296009 ZWMFJIYEDANDLV-AVRDEDQJSA-N 432.586 4.124 70 40 IIIB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 218305123 TVQRXUFIWCMAAJ-UHFFFAOYSA-N 440.540 4.155 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218626098 BKXNKASKGPUOLM-OAQYLSRUSA-N 442.581 4.202 70 40 IIIB C[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 218748480 OSTSWBUJNVWHOJ-CQSZACIVSA-N 429.369 4.417 70 40 IIIB COc1ccccc1CCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 218591906 QNGFCVCBGIULCJ-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 218602033 GOTOEUFZCZUQSV-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1ccc(OCCCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218733480 WEBBBWZCUHVSEY-UHFFFAOYSA-N 430.302 4.283 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218745371 XFPWAQGVWQBLJY-HXUWFJFHSA-N 448.560 4.099 70 40 IIIB O=C(NCCCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 218526169 FKNYIXKKUQQFSR-UHFFFAOYSA-N 438.952 4.016 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)COc2ccccc2C)cc1 218414682 RBTQZNFDJXDFHI-IBGZPJMESA-N 438.549 4.302 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N3CCCC3)c1)CC(C)(C)O2 218512850 MZCXNRSMYCTVER-HXUWFJFHSA-N 442.581 4.120 70 40 IIIB Cc1ccc(C)c(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 218747457 UDTFYEWUJUCXMS-FQEVSTJZSA-N 444.597 4.268 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N3CCCC3)c1)CC(C)(C)O2 218512775 MZCXNRSMYCTVER-FQEVSTJZSA-N 442.581 4.120 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 218378729 IXTBKBWGVDHHGF-WIYYLYMNSA-N 444.597 4.185 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)cc1 218408544 JKLBDBTUYQVGDY-IBGZPJMESA-N 438.549 4.302 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218549784 VXANYPGDWNCBKI-AZUAARDMSA-N 444.597 4.185 70 40 IIIB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 218454229 KTBRBWIBOVKOPU-INIZCTEOSA-N 428.485 4.411 70 40 IIIB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cn(C[C@H](O)c2ccccc2F)nn1 217475544 LHFIGUOFPZBCPK-INIZCTEOSA-N 428.773 4.075 70 40 IIIB CS(=O)(=O)N(Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)c1ccccc1 218310144 CLVAGUJUUFBXCL-UHFFFAOYSA-N 440.540 4.155 70 40 IIIB O=C(Nc1cccc2ccccc12)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436836 GJJKMQULWYDEMC-XMMPIXPASA-N 444.512 4.435 70 40 IIIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)c1 217909127 DFAREPTYYGEDLP-XBXARRHUSA-N 434.279 4.390 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 218376966 DZEWVSLOCGBWJD-GOSISDBHSA-N 430.570 4.418 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 218670484 ALHMTGACRZGVCK-OAHLLOKOSA-N 439.512 4.135 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1C 216631553 KSNQDLMGAGHLAX-UHFFFAOYSA-N 441.553 4.320 70 40 IIIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1 216648418 ADOIGTHURHLHGZ-MRXNPFEDSA-N 447.944 4.275 70 40 IIIB O=S(=O)(/C=C/c1ccccc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217591793 LZHHJSQWBBDUOB-XMHGGMMESA-N 444.572 4.134 70 40 IIIB COc1ccc(CNC(=O)CSCc2ccc(Br)cc2)c(OC)c1OC 218194932 KHJOHIJHHDQJEC-UHFFFAOYSA-N 440.359 4.025 70 40 IIIB Cc1ccc(C)c(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 218746703 YACPJJCLLHQOCJ-UHFFFAOYSA-N 437.005 4.252 70 40 IIIB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NC[C@@H]1C[C@H]3C=C[C@@H]1C3)C(=O)OC2 217759284 ODOWIDUJGXNPKY-AJSKIUNYSA-N 439.552 4.280 70 40 IIIB O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 217855766 OZDWQDVMQRDDGN-OAHLLOKOSA-N 437.974 4.236 70 40 IIIB CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218387748 KMJZNBAQQWSJGP-KRWDZBQOSA-N 437.005 4.367 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)CC(C)(C)O2 218745254 GNRMSGNQVTWVFZ-HXUWFJFHSA-N 448.560 4.099 70 40 IIIB CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 218293180 ZJDZCFZSXLUUPT-LBPRGKRZSA-N 431.341 4.185 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1C 216642297 SZGHLGUUHISXQH-QGZVFWFLSA-N 445.516 4.151 70 40 IIIB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl 218515539 RBIOFJFZXPOMPG-UHFFFAOYSA-N 436.961 4.474 70 40 IIIB CC1(C)C[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2O1 218524078 JPNIKLYWHMMEFB-SFHVURJKSA-N 448.972 4.157 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccc(Cl)cc1 218625394 SEPIJHCNRJRHPL-UHFFFAOYSA-N 434.989 4.186 70 40 IIIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 218681501 UPKZPWSSAGIYIE-LLVKDONJSA-N 436.693 4.236 70 40 IIIB Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 218504693 WYOSNBCYYZOTNE-UHFFFAOYSA-N 434.989 4.186 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCc1ccccc1Cl 218631953 YMAYJCWCNXTMTC-UHFFFAOYSA-N 449.016 4.432 70 40 IIIB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 218466563 XLWRGLOLXPINIR-NSHDSACASA-N 435.760 4.118 70 40 IIIB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218473751 UUNRGFIWSXJZKY-QGZVFWFLSA-N 442.968 4.400 70 40 IIIB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 218517855 VHDQVDNSYCPVFE-UHFFFAOYSA-N 432.561 4.061 70 40 IIIB O=C(NCCSC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 218525609 LWWGRXHHXZNEEP-UHFFFAOYSA-N 445.050 4.310 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCc1ccc(Cl)cc1 218632070 KAVJKODPVYGFRS-UHFFFAOYSA-N 449.016 4.432 70 40 IIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)C1CCN(c2ncnc3ccsc23)CC1 100047372 ACHDGBINGBLWHB-UHFFFAOYSA-N 429.370 4.209 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1C 216648935 ZHFUTCGEGGRLRX-IBGZPJMESA-N 441.553 4.320 70 40 IIIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3C)o2)C1 216646269 SHLLFCUILRSRCK-HNNXBMFYSA-N 447.944 4.275 70 40 IIIB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1S(=O)(=O)N1CCCCC1 218505806 QBCWGULPVMPTJC-HXUWFJFHSA-N 442.581 4.202 70 40 IIIB COc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1OC 218197052 ILADXHWKWJKCDB-UHFFFAOYSA-N 438.387 4.449 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN(C)c2ccccc2)cc1 218415717 CBDYTBZYFYQXLE-UHFFFAOYSA-N 437.565 4.052 70 40 IIIB C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218476188 WDOWKMCTFOOTPS-HNNXBMFYSA-N 436.961 4.455 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218369774 IZFAJHDLVAEJFB-GHTZIAJQSA-N 444.597 4.185 70 40 IIIB CCc1ccc(N2C(=O)c3c(C(=O)OC)nn([C@]45C[C@H]6C[C@H](C[C@](C)(C6)C4)C5)c3C2=O)cc1 217689281 WGEILXJYSGPPEZ-HFCBSXIXSA-N 447.535 4.348 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 218652705 BWTQVWQULNRNDG-SFHVURJKSA-N 438.549 4.021 70 40 IIIB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1 218503480 FPWOLQLNIXEDTE-UHFFFAOYSA-N 441.380 4.406 70 40 IIIB CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc2O1 218634879 DQGWESJOZMVFJG-LJQANCHMSA-N 448.972 4.157 70 40 IIIB COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)[nH]n1 217950431 PTXIOAJNXSNJKH-IMVQFDEQSA-N 432.568 4.121 70 40 IIIB O=C(Nc1cccc(S(=O)(=O)F)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 104169623 ZBEVKFPBWZEYAS-DEDYPNTBSA-N 426.425 4.432 70 40 IIIB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218466027 MUGJRUJSLNRKJF-CYBMUJFWSA-N 447.409 4.056 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 218549212 QLHBUZWQBQKVLR-QUCCMNQESA-N 444.597 4.185 70 40 IIIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1 216646220 SHLLFCUILRSRCK-OAHLLOKOSA-N 447.944 4.275 70 40 IIIB CC[C@@H](NC(=O)c1ccccc1I)c1ccc(OC)c(OC)c1 218218514 ARAVSFSEJCZDFK-OAHLLOKOSA-N 425.266 4.190 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccc(F)cc1 218630411 OFZAGVUVBJYHQV-UHFFFAOYSA-N 432.561 4.061 70 40 IIIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217849725 BVIDPZMFWPNASV-ZDUSSCGKSA-N 432.406 4.032 70 40 IIIB COc1cccc([C@@H]2SCCN2C(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)c1 217638786 YBMRTDGVXCSSHM-QHCPKHFHSA-N 439.537 4.001 70 40 IIIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccc(F)cc1 218583908 OQCWAYUMRYRGQL-UHFFFAOYSA-N 426.513 4.298 70 40 IIIB O=C(Nc1ccc(S(=O)(=O)F)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 104169781 IMGZIBLFORSJJW-ZHZULCJRSA-N 426.425 4.432 70 40 IIIB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 218593230 ADVMHQIHIGQRRG-UHFFFAOYSA-N 437.565 4.052 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 218347988 FEYGJDKNSBGDCX-IBGZPJMESA-N 438.549 4.017 70 40 IIIB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1S(=O)(=O)N1CCCCC1 218505885 QBCWGULPVMPTJC-FQEVSTJZSA-N 442.581 4.202 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 218549377 QLHBUZWQBQKVLR-ICSRJNTNSA-N 444.597 4.185 70 40 IIIB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN12 217456268 WFQRJRRHQJBZPQ-LUKWVAJMSA-N 444.918 4.328 70 40 IIIB CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 218484556 GQJUSCVVZIQTOV-HNNXBMFYSA-N 438.977 4.484 70 40 IIIB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 218681556 UPKZPWSSAGIYIE-NSHDSACASA-N 436.693 4.236 70 40 IIIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 218481594 CRFRUQHLGYBFSK-GFCCVEGCSA-N 431.341 4.104 70 40 IIIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN1C(=O)c2cccc3cccc1c23 218321701 XJYLTIPDVOFAEZ-UHFFFAOYSA-N 432.867 4.162 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 218717264 HSPZGYVYBLHXNK-CQSZACIVSA-N 445.903 4.108 70 40 IIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1I)CC(C)(C)O2 218217625 ICYDXVYPNDBQME-INIZCTEOSA-N 437.277 4.332 70 40 IIIB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 218515019 KHLXLRWPIRXNTQ-UHFFFAOYSA-N 446.638 4.223 70 40 IIIB O=C(NCCCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 218634065 FZJFGWKEMMFEAA-UHFFFAOYSA-N 441.380 4.141 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 218369414 GAUZXFWSFWCRAR-RXVVDRJESA-N 444.597 4.185 70 40 IIIB CCOc1ccccc1NC(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 217593733 KYAFKPZDZRASID-UHFFFAOYSA-N 430.574 4.082 70 40 IIIB CCc1cccc(C)c1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218438385 INBUHQDHWRNVSH-JOCHJYFZSA-N 436.533 4.152 70 40 IIIB Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 218372973 QLDHAZGHNIIXRQ-FQEVSTJZSA-N 430.614 4.330 70 40 IIIB CCOc1ccc(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 218411453 NLHZBZPUBXWUSY-UHFFFAOYSA-N 438.549 4.249 70 40 IIIB Cc1cc(C)cc(OCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 218697036 TXCRQUKPNWEALP-UHFFFAOYSA-N 430.302 4.153 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218745317 XFPWAQGVWQBLJY-FQEVSTJZSA-N 448.560 4.099 70 40 IIIB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O 218454293 KTBRBWIBOVKOPU-MRXNPFEDSA-N 428.485 4.411 70 40 IIIB C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218476246 WDOWKMCTFOOTPS-OAHLLOKOSA-N 436.961 4.455 70 40 IIIB CC(C)(C)c1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 218561583 SCZAHAMNCAUMAK-UHFFFAOYSA-N 442.625 4.231 70 40 IIIB CCOc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218296483 LEHFAKQGASPKPF-LJQANCHMSA-N 446.613 4.112 70 40 IIIB CCOc1ccc(CNC(=O)c2ccccc2I)cc1OCC 218216434 PCGJJKQIINBSFL-UHFFFAOYSA-N 425.266 4.019 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1 216631481 GDUQASWVGHWXSC-UHFFFAOYSA-N 427.526 4.012 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)COc3ccccc3C)c2)cc1 218575796 YAFCZTGXZORXRV-IBGZPJMESA-N 438.549 4.302 70 40 IIIB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CN2CCc3ccccc3C2)cc1 218078587 KLYCACJMBBBMMF-UHFFFAOYSA-N 430.533 4.286 70 40 IIIB Cc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 218559437 DCLANNPAICNWIX-NRFANRHFSA-N 444.597 4.268 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 218378659 IXTBKBWGVDHHGF-NQIIRXRSSA-N 444.597 4.185 70 40 IIIB CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218387670 KMJZNBAQQWSJGP-QGZVFWFLSA-N 437.005 4.367 70 40 IIIB C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218384556 HDOAAKJLOWVNAZ-OAHLLOKOSA-N 436.961 4.455 70 40 IIIB COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc21 218015561 VUYZOZQGGDWSIQ-JWVZEJEHSA-N 447.623 4.252 70 40 IIIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 216948518 ISEAPORMPBJVMI-UHFFFAOYSA-N 443.396 4.086 70 40 IIIB Cc1ccc(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 218558292 LGHROVBTLIZOBE-UHFFFAOYSA-N 437.005 4.252 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 218378431 QAZJKKMQVDLAOB-WIYYLYMNSA-N 444.597 4.185 70 40 IIIB COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 218515306 LHIAWMXNBGCOQA-UHFFFAOYSA-N 436.961 4.474 70 40 IIIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 217921999 GVTXNVXBZDVJJT-DHZHZOJOSA-N 428.286 4.180 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 218188502 CFWUGQWUPREUAY-RXNMKEHESA-N 427.497 4.153 70 40 IIIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccccc1Br 217487974 WOXMODGFBMBDQX-UHFFFAOYSA-N 436.269 4.132 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 218304156 OOZXXMJPSBYEJZ-IBGZPJMESA-N 438.549 4.017 70 40 IIIB COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)CC(C)(C)O2 218188328 UWWOHMFRKYOFNQ-RXNMKEHESA-N 427.497 4.153 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 218512945 GQVVSGBJPQFHKB-FQEVSTJZSA-N 442.581 4.120 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1C 216646663 NHNZZWXETGUFCU-GOSISDBHSA-N 441.553 4.320 70 40 IIIB COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCN(c4nccs4)C3)cc2)cc1 218193306 JSAFTXQBDPQSHN-KRWDZBQOSA-N 443.594 4.014 70 40 IIIB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 218295263 HXLMLWHFWSYRDU-QGZVFWFLSA-N 446.569 4.200 70 40 IIIB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 218553317 KPWGKOJGEQKPLD-HNNXBMFYSA-N 443.396 4.205 70 40 IIIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN1C(=O)c2cccc3cccc1c23 218321569 ORFZULCXRUMTIQ-UHFFFAOYSA-N 432.867 4.162 70 40 IIIB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217599280 VUGZYAITWUKDKJ-DEOSSOPVSA-N 444.579 4.363 70 40 IIIB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)cc1 218331663 UNJKAJCJIATNQG-UHFFFAOYSA-N 440.540 4.322 70 40 IIIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Br)cc1 217871029 NMHQGZGFNYZEID-UHFFFAOYSA-N 437.091 4.192 70 40 IIIB CCOc1ccc(CNC(=O)c2ccc(I)cc2)cc1OCC 218212980 KNVFXOGAXCFSRK-UHFFFAOYSA-N 425.266 4.019 70 40 IIIB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 217835013 KPQWAVCBOPUDPK-GOSISDBHSA-N 441.553 4.005 70 40 IIIB Cc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1C 218280320 DOFGMDMDIXFCQS-UHFFFAOYSA-N 434.867 4.380 70 40 IIIB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218473679 UUNRGFIWSXJZKY-KRWDZBQOSA-N 442.968 4.400 70 40 IIIB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218552176 UETUFJUFOBIMPZ-FQEVSTJZSA-N 430.614 4.330 70 40 IIIB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217572327 VTMIMYUXFMQXEU-CEWLAPEOSA-N 435.955 4.123 70 40 IIIB COc1cccc(CCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 218591972 XOLNTBMHNSKWRN-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 218602524 ALHDEEWVBXARAS-LJQANCHMSA-N 438.549 4.302 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 218348180 KUVGUZMOLGWIFC-IBGZPJMESA-N 438.549 4.017 70 40 IIIB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 218547806 XUBZRYQGHACXKU-GOSISDBHSA-N 430.570 4.418 70 40 IIIB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)N1CCCCCC1 218315195 JMCVBVPSPPVZON-UHFFFAOYSA-N 427.504 4.455 70 40 IIIB Cc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 218514874 NQMJZIPBNRDAKZ-UHFFFAOYSA-N 432.611 4.082 70 40 IIIB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 218718116 YPBODWFRSWDCRX-HNNXBMFYSA-N 429.904 4.441 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 218378517 QAZJKKMQVDLAOB-RXVVDRJESA-N 444.597 4.185 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218549536 VXANYPGDWNCBKI-QUCCMNQESA-N 444.597 4.185 70 40 IIIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc(C(F)(F)F)cc1 217488067 LHICRAMDSPUQKG-UHFFFAOYSA-N 425.370 4.389 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 218188432 CFWUGQWUPREUAY-HCWHUNCVSA-N 427.497 4.153 70 40 IIIB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Br)cc1 218199488 NYBYQQLMJNFMRR-UHFFFAOYSA-N 438.372 4.452 70 40 IIIB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218491991 UAPKKGHRDYVCDJ-CABCVRRESA-N 443.396 4.285 70 40 IIIB Cc1ccc(OCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 218593654 XBYDDFLWJOTHPY-UHFFFAOYSA-N 438.549 4.221 70 40 IIIB Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 218503358 FIXZEHDYWSZIND-UHFFFAOYSA-N 446.638 4.141 70 40 IIIB CC(C)c1ccc(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 218746209 FKSRXWAERFADHJ-UHFFFAOYSA-N 434.577 4.244 70 40 IIIB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218465959 MUGJRUJSLNRKJF-ZDUSSCGKSA-N 447.409 4.056 70 40 IIIB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1C 218367820 RAWCDOPFLBCBQF-SFHVURJKSA-N 430.570 4.418 70 40 IIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)/C=C\c3ccc4c(c3)OCO4)C2)n1 217828245 LFSKDZNWFHJSMU-JQYPEGPJSA-N 431.492 4.268 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 218592524 QGNLXUFXGZFMJS-IBGZPJMESA-N 438.549 4.302 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 216648775 JIQOPIMYVRWWES-GOSISDBHSA-N 427.526 4.012 70 40 IIIB Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 218517120 JNPRPISBJUIJIY-HXUWFJFHSA-N 428.598 4.311 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1 218717341 HSPZGYVYBLHXNK-AWEZNQCLSA-N 445.903 4.108 70 40 IIIB COc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)ccc2ccccc12 217461224 DWPXUCZLQGAQIR-UHFFFAOYSA-N 437.477 4.198 70 40 IIIB COc1cccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 218575591 TUSNWUMJZPDURM-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB O=C(Nc1ccc(S(=O)(=O)F)cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 104170257 XNLVDHABIYMFCK-ZHZULCJRSA-N 426.425 4.432 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 218584696 KRUYMIGIKLMXGS-SFHVURJKSA-N 438.549 4.302 70 40 IIIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1 216631299 SGQINLQQHHETEN-UHFFFAOYSA-N 447.944 4.275 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 218348100 KUVGUZMOLGWIFC-LJQANCHMSA-N 438.549 4.017 70 40 IIIB O=C(COc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217796837 QMCGUOQNKXIZOH-OAHLLOKOSA-N 429.879 4.389 70 40 IIIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN(C)c1ccccc1 218585346 PFABTXPXTJPYBO-UHFFFAOYSA-N 437.565 4.052 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1C)CC(C)(C)O2 218623422 VQSSPFDGMGAQFA-OAQYLSRUSA-N 442.581 4.120 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4C)o3)C2)cc1C 216646710 NHNZZWXETGUFCU-SFHVURJKSA-N 441.553 4.320 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)n2)c(OC)c1 218145542 NHFZBERYBMMVBQ-HNNXBMFYSA-N 427.526 4.201 70 40 IIIB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218707353 SKGVMKHDBNKCES-LBPRGKRZSA-N 434.265 4.064 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)COc3ccccc3C)c2)cc1 218575867 YAFCZTGXZORXRV-LJQANCHMSA-N 438.549 4.302 70 40 IIIB CCc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)s1 217803283 PVVMXIJMYMWPHV-CQSZACIVSA-N 435.546 4.143 70 40 IIIB O=S(=O)(F)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F 95681755 KTCQQCLZUOZFEI-VKHMYHEASA-N 446.112 4.361 70 40 IIIB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2ccc(Cl)cc2)CN1C 217724135 RRKPADJAYXCCCA-GQOCTPOGSA-N 436.895 4.317 70 40 IIIB O=C(Cc1cccc2ccccc12)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 217593318 YJWOUWOZJLSYRC-UHFFFAOYSA-N 435.593 4.373 70 40 IIIB CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218527138 JQMNGYDUQOHTSK-UHFFFAOYSA-N 433.039 4.166 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)cc1 218205688 OIMQMVNVAVNFOF-UHFFFAOYSA-N 435.908 4.430 70 40 IIIB Cn1nc(CN(Cc2ccco2)C(=O)CSc2nc3ccccc3s2)c2c1CCC2 217901847 UIZXOCAWTKTKNC-UHFFFAOYSA-N 438.578 4.433 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 218518358 YMJSOAAXPYCHKT-HXUWFJFHSA-N 444.597 4.065 70 40 IIIB Cc1ccccc1OC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 218630917 NWUSQLJYFKRCOS-FQEVSTJZSA-N 444.597 4.065 70 40 IIIB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217492160 JGJVYXQEFPARQD-HXUWFJFHSA-N 430.545 4.020 70 40 IIIB Cc1ccc(CSCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218025746 QIZHXIVKCZSJPD-UHFFFAOYSA-N 432.343 4.357 70 40 IIIB COc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 218601844 HNEKGGLEGDEDMV-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 218601936 CVWMAFYQVFUNTH-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB COc1ccc(CCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 218592074 RVSNEQRBCGBMOI-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 218511710 FZCRHPZZSURDHA-UHFFFAOYSA-N 428.554 4.353 70 40 IIIB Cc1ccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1C 218558180 PRAYXDDROAZQDH-UHFFFAOYSA-N 437.005 4.252 70 40 IIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(I)cc1 218214360 KKDOWRQLTDDZRV-MRXNPFEDSA-N 437.277 4.332 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 218376887 DZEWVSLOCGBWJD-SFHVURJKSA-N 430.570 4.418 70 40 IIIB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218491822 UAPKKGHRDYVCDJ-HUUCEWRRSA-N 443.396 4.285 70 40 IIIB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cc1 217844026 KFNHKBYBNWGFQK-SFHVURJKSA-N 437.569 4.051 70 40 IIIB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O 218448499 ZSSWTGZQWPRLLD-JTQLQIEISA-N 438.830 4.291 70 40 IIIB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487724 BDCCPKCPQKOFDT-LBPRGKRZSA-N 431.341 4.104 70 40 IIIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O 218481173 BKSRBTBGGJSAKR-LBPRGKRZSA-N 431.341 4.104 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218381313 GKGFEZAJMTZDHF-HXUWFJFHSA-N 430.614 4.330 70 40 IIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)C(=O)c3c[nH]c4ccccc34)C2)n1 217828980 FNONKAAUAQODMW-KRWDZBQOSA-N 428.492 4.190 70 40 IIIB Cc1ccccc1CSCC(=O)NCc1nc(-c2cccc(Br)c2)no1 218019283 SQKIOWDRHMAMAC-UHFFFAOYSA-N 432.343 4.357 70 40 IIIB Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1NS(=O)(=O)c1ccccc1 218592373 NOIOIZJCZQZSMA-LJQANCHMSA-N 438.549 4.302 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)o3)C2)cc1C 216644432 XQXUZDYEQOMAJP-MRXNPFEDSA-N 445.516 4.151 70 40 IIIB CC[C@H](NC(=O)c1ccccc1I)c1ccc(OC)c(OC)c1 218218590 ARAVSFSEJCZDFK-HNNXBMFYSA-N 425.266 4.190 70 40 IIIB O=C(NCCCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 218636247 CXEBJJZMHRDGEE-UHFFFAOYSA-N 438.952 4.016 70 40 IIIB Cc1ccc(C)c(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 218747401 UDTFYEWUJUCXMS-HXUWFJFHSA-N 444.597 4.268 70 40 IIIB COc1ccc([C@H]2SCCN2C(=O)COc2ccccc2OC)cc1Br 217629518 ZMQQBNLNRLXQDK-LJQANCHMSA-N 438.343 4.119 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)c(OC)c1 218046563 ZCEFSVPDEHXARF-UHFFFAOYSA-N 447.944 4.299 70 40 IIIB CN1CCC(Oc2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 216949284 LLMDQXPMNWUKEA-UHFFFAOYSA-N 429.369 4.408 70 40 IIIB COc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 218584168 RJXBFQLSKMWKLO-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 218373051 QLDHAZGHNIIXRQ-HXUWFJFHSA-N 430.614 4.330 70 40 IIIB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 218591808 PMCMMQZMTGVFOQ-UHFFFAOYSA-N 426.513 4.298 70 40 IIIB CC(C)Oc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 218351251 ARWBGUPRIKWOJZ-UHFFFAOYSA-N 431.341 4.185 70 40 IIIB COc1ccc2cc(C(=O)N3CCC[C@@H](Cc4nc(-c5ccccc5F)no4)C3)[nH]c2c1 217800113 RWDGOUSMGHFWDJ-HNNXBMFYSA-N 434.471 4.461 70 40 IIIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O 218481420 SVSNDMQRLWWLEV-GFCCVEGCSA-N 431.341 4.104 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)c1ccccc1 218622006 QTPAXTIPSYWLGE-UHFFFAOYSA-N 448.544 4.263 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(OC2CCCC2)cc1 218622411 KKCHFQCOKSBXBW-UHFFFAOYSA-N 428.554 4.353 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1C 216632853 UQIAFRINQJODLE-UHFFFAOYSA-N 441.553 4.320 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 218630839 NWUSQLJYFKRCOS-HXUWFJFHSA-N 444.597 4.065 70 40 IIIB CCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 218406449 LUAFRBFWYSQAKB-UHFFFAOYSA-N 438.549 4.249 70 40 IIIB Cc1cc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(Cl)cc1Cl 217822429 KUYWNSXVHKKZBG-LBPRGKRZSA-N 430.357 4.206 70 40 IIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)/C=C\c3ccc4c(c3)OCO4)C2)n1 217828305 LFSKDZNWFHJSMU-ZMOVQZPESA-N 431.492 4.268 70 40 IIIB Cc1cc(C(=O)N[C@@H](C)COc2ccccc2C)ccc1NS(=O)(=O)c1ccccc1 218602434 XNWOMOQMYZTFKG-IBGZPJMESA-N 438.549 4.302 70 40 IIIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Br)cc1 218199183 GSVPTUVQGHTOLK-UHFFFAOYSA-N 432.343 4.391 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1C 216629848 SFCBKORLXPEVBF-UHFFFAOYSA-N 445.516 4.151 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1 216646550 XMYNXNOSKISTAF-QGZVFWFLSA-N 427.526 4.012 70 40 IIIB C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 218074193 FIVDVINMDHXAQP-CYBMUJFWSA-N 432.343 4.437 70 40 IIIB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 218296214 ZVYKKCOFJIADKV-GCJKJVERSA-N 432.586 4.124 70 40 IIIB COC(=O)c1ccc(N2N=C(c3ccc(S(=O)(=O)F)cc3)C[C@@H]2c2ccccc2)cc1 100511335 SQAQVEPXTIQCSE-JOCHJYFZSA-N 438.480 4.487 70 40 IIIB O=C(CCc1ccccc1Br)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217658680 DLZBWIYFOFDWIN-GOSISDBHSA-N 425.330 4.114 70 40 IIIB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 218547723 XUBZRYQGHACXKU-SFHVURJKSA-N 430.570 4.418 70 40 IIIB COc1ccccc1/C=C/C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 217969900 MIILAIPSAYDBOC-ZHACJKMWSA-N 428.286 4.180 70 40 IIIB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 218296166 ZVYKKCOFJIADKV-AVRDEDQJSA-N 432.586 4.124 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1C 216642347 SZGHLGUUHISXQH-KRWDZBQOSA-N 445.516 4.151 70 40 IIIB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2)cc1 218297357 YHNLSFHLJAZJNG-UHFFFAOYSA-N 430.570 4.120 70 40 IIIB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 218356833 ZXZLZHONFBJDKA-GOSISDBHSA-N 436.533 4.019 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(F)cc3)c2)cc1 218575388 DCIPUHOUZUQPFL-UHFFFAOYSA-N 426.513 4.298 70 40 IIIB CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 216949312 KWWCKHNBWCMLSF-UHFFFAOYSA-N 443.396 4.086 70 40 IIIB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 217456190 WFQRJRRHQJBZPQ-BXXSPATCSA-N 444.918 4.328 70 40 IIIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 217896529 GWAQTFFZXNWHEJ-UHFFFAOYSA-N 433.487 4.273 70 40 IIIB COc1ccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)cc1 218198977 CBKIVDLOXIJUAY-UHFFFAOYSA-N 448.342 4.057 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c(OC)c1 218040430 RXUDKGHZBYXKMC-UHFFFAOYSA-N 447.944 4.299 70 40 IIIB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1 217696578 LASGBHOBIDRCBP-UHFFFAOYSA-N 445.629 4.094 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccccc1Cl 218625297 IMLMAKNXTHIZTA-UHFFFAOYSA-N 434.989 4.186 70 40 IIIB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC[C@H](c2ccc(F)cc2)C1 217492243 JGJVYXQEFPARQD-FQEVSTJZSA-N 430.545 4.020 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 217994712 KVKYJFHVVKDADI-LBPRGKRZSA-N 433.917 4.204 70 40 IIIB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cc1 217843908 KFNHKBYBNWGFQK-GOSISDBHSA-N 437.569 4.051 70 40 IIIB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 218553380 KPWGKOJGEQKPLD-OAHLLOKOSA-N 443.396 4.205 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 218304219 XCUMZXUODZNTKD-LJQANCHMSA-N 438.549 4.017 70 40 IIIB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217800991 ZTLKGZDVRWHTJL-ZDUSSCGKSA-N 434.393 4.384 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 218408728 YWSMIWPUPYCIRU-LJQANCHMSA-N 438.549 4.302 70 40 IIIB COc1ccc(CN(C)C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 218349110 OKTHDXJYUVIDFV-UHFFFAOYSA-N 438.549 4.101 70 40 IIIB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 218295218 HXLMLWHFWSYRDU-KRWDZBQOSA-N 446.569 4.200 70 40 IIIB COc1ccccc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 218583992 XKMYOTMPTTZYKE-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB COc1ccc(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 218414351 XASNLQSXJJZNFN-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O 218268671 GJFIUNHAWNPWSS-UHFFFAOYSA-N 437.005 4.287 70 40 IIIB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O 218448581 ZSSWTGZQWPRLLD-SNVBAGLBSA-N 438.830 4.291 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218549714 VXANYPGDWNCBKI-ICSRJNTNSA-N 444.597 4.185 70 40 IIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc(C(F)(F)F)ccc1N1CCOCC1 100041605 NRNRYELFJREPET-UHFFFAOYSA-N 441.274 4.457 70 40 IIIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(CN2CCCC2)cc1 218611174 ONRKHNXGOKJIQG-UHFFFAOYSA-N 441.329 4.025 70 40 IIIB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 218718039 YPBODWFRSWDCRX-OAHLLOKOSA-N 429.904 4.441 70 40 IIIB CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218479512 DPURIQZBRVUGJF-QGZVFWFLSA-N 437.005 4.367 70 40 IIIB Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Br)cc3)n2)cc1 218198862 KWYLWLRAWNCNBB-UHFFFAOYSA-N 432.343 4.357 70 40 IIIB Cc1ccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 218271386 XOCSEHIMCYYYTE-UHFFFAOYSA-N 437.005 4.287 70 40 IIIB C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 218074274 FIVDVINMDHXAQP-ZDUSSCGKSA-N 432.343 4.437 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 217994626 KVKYJFHVVKDADI-GFCCVEGCSA-N 433.917 4.204 70 40 IIIB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 218378356 QAZJKKMQVDLAOB-NQIIRXRSSA-N 444.597 4.185 70 40 IIIB COc1cccc(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 218414245 YCIZHIMBUGPKBK-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217803467 USWMVLAYGJYAAB-QIXNEVBVSA-N 427.501 4.131 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 218623525 RPQRRTKLXNKBHT-NRFANRHFSA-N 442.581 4.120 70 40 IIIB S=C1NC(c2ccccc2)=NC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 102606305 YFNBYUUTUXYUHJ-UHFFFAOYSA-N 436.520 4.488 70 40 IIIB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](C)(O)c3cc4ccccc4s3)cc2)co1 217516555 MOSLQEGNDBQAMP-NRFANRHFSA-N 428.535 4.051 70 40 IIIB Cc1cc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c(C)c1 218438191 RLVVVGIUZIODTK-JOCHJYFZSA-N 436.533 4.207 70 40 IIIB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 217632687 MUJPRQZCKJPSAR-GOSISDBHSA-N 445.484 4.303 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 218518598 MHUYKDRQWORADD-FQEVSTJZSA-N 444.597 4.065 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 218623605 RPQRRTKLXNKBHT-OAQYLSRUSA-N 442.581 4.120 70 40 IIIB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218523359 GCJZWNCQLYSPTI-UHFFFAOYSA-N 441.380 4.141 70 40 IIIB CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 216948372 WFZIFSZHEBVHSL-UHFFFAOYSA-N 429.369 4.408 70 40 IIIB Cc1ccc(OCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1C 218724101 BUHHOTQMMACOQX-UHFFFAOYSA-N 430.302 4.153 70 40 IIIB Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(/C=C/c2ccc(S(=O)(=O)F)cc2)n1 104107741 SHYCOAMFDXJFRQ-FPYGCLRLSA-N 439.299 4.443 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 218652898 LZBPXOJXJYYCLA-SFHVURJKSA-N 438.549 4.021 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218369617 IZFAJHDLVAEJFB-WIYYLYMNSA-N 444.597 4.185 70 40 IIIB O=C(Nc1cccc(S(=O)(=O)F)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 104169627 ZBEVKFPBWZEYAS-MOSHPQCFSA-N 426.425 4.432 70 40 IIIB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 218553222 NNRHPWPVFDYMTJ-OAHLLOKOSA-N 443.396 4.205 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1C 216629146 ZTQXSKPBEHRYBH-UHFFFAOYSA-N 445.516 4.151 70 40 IIIB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217803539 USWMVLAYGJYAAB-SZEUEKNRSA-N 427.501 4.131 70 40 IIIB Cc1cccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1C 218280399 SSGLDCFRMPDASI-UHFFFAOYSA-N 438.549 4.287 70 40 IIIB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 218553160 NNRHPWPVFDYMTJ-HNNXBMFYSA-N 443.396 4.205 70 40 IIIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(OC)c1OC 218191026 WXVYMDWUCMEFSO-ZRDIBKRKSA-N 443.887 4.088 70 40 IIIB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 218448786 PUDOAQQBHWFIDB-QGZVFWFLSA-N 442.512 4.198 70 40 IIIB COc1cccc2cc(C(=O)NCc3nc(-c4cccc(Br)c4)no3)oc12 218619048 JEKUNKZABUVVMU-UHFFFAOYSA-N 428.242 4.184 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1C 216648889 ZHFUTCGEGGRLRX-LJQANCHMSA-N 441.553 4.320 70 40 IIIB CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)c(OC)c1 218215020 LEYJTTMMKIVQLO-OAHLLOKOSA-N 425.266 4.190 70 40 IIIB COc1ccc2cc(C(=O)N3CCC[C@H](Cc4nc(-c5ccccc5F)no4)C3)[nH]c2c1 217800039 RWDGOUSMGHFWDJ-OAHLLOKOSA-N 434.471 4.461 70 40 IIIB Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 218603728 ZGOPPSRTUPCWEV-UHFFFAOYSA-N 438.549 4.221 70 40 IIIB Cc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Br 216950392 AESDMTFNCUWDFX-UHFFFAOYSA-N 433.346 4.248 70 40 IIIB Cc1ccc(C)c(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 218746637 DWVQVBZTPIDMCI-UHFFFAOYSA-N 437.005 4.252 70 40 IIIB C=CCSC1=NC(C)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 102937809 PKLBJIGBMDIDNG-UHFFFAOYSA-N 442.524 4.429 70 40 IIIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)COc3ccccc3C)cc2)cc1 218408632 JKLBDBTUYQVGDY-LJQANCHMSA-N 438.549 4.302 70 40 IIIB COc1cccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 218584072 IUCLNYYNLPJBFT-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB CCc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218438304 INBUHQDHWRNVSH-QFIPXVFZSA-N 436.533 4.152 70 40 IIIB O=C(CCCCOc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1 104170997 CRJWJRKKYQXQED-UHFFFAOYSA-N 430.841 4.094 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218626158 BKXNKASKGPUOLM-NRFANRHFSA-N 442.581 4.202 70 40 IIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)C(=O)c3c[nH]c4ccccc34)C2)n1 217829058 FNONKAAUAQODMW-QGZVFWFLSA-N 428.492 4.190 70 40 IIIB COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCN(c4nccs4)C3)cc2)cc1 218193379 JSAFTXQBDPQSHN-QGZVFWFLSA-N 443.594 4.014 70 40 IIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2 218214214 BSYHPCKFXFJGFZ-MRXNPFEDSA-N 437.277 4.332 70 40 IIIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 216648472 ADOIGTHURHLHGZ-INIZCTEOSA-N 447.944 4.275 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 218378582 QAZJKKMQVDLAOB-GHTZIAJQSA-N 444.597 4.185 70 40 IIIB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 217764634 AQYLREOJKPSKBX-ZHRMCQFGSA-N 435.886 4.250 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c(OC)c1 218033528 QNJZXGBIGQKJBT-UHFFFAOYSA-N 447.944 4.299 70 40 IIIB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCSC1CCCCC1 218313807 QXLFCUPJUWPYJF-UHFFFAOYSA-N 446.638 4.449 70 40 IIIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCc2ccc(F)cc2)cc1 218349518 FGRNDAMCOVGNHZ-UHFFFAOYSA-N 440.540 4.322 70 40 IIIB Cc1ccc(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 218423650 IMOCPMSMPNVDNY-DEOSSOPVSA-N 436.533 4.171 70 40 IIIB O=C(NCCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 218634165 OFPBYKLTAADOAI-UHFFFAOYSA-N 441.380 4.141 70 40 IIIB COc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)c(OC)c1 218107109 SVBZLKLCWHJCJO-DEDYPNTBSA-N 431.448 4.204 70 40 IIIB CC(C)(C)SCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 218307068 HARLHUOPIIAHNH-UHFFFAOYSA-N 441.018 4.183 70 40 IIIB COC(=O)C(C(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100084982 ICZFNVKHIGLUKA-UHFFFAOYSA-N 438.463 4.209 70 40 IIIB Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1 218601737 UWKFGQOSXXWICN-UHFFFAOYSA-N 426.513 4.298 70 40 IIIB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218491895 UAPKKGHRDYVCDJ-GJZGRUSLSA-N 443.396 4.285 70 40 IIIB Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O 218269663 FEKZLJNDNKTIMA-UHFFFAOYSA-N 437.005 4.287 70 40 IIIB CS(=O)(=O)N(CCCC(=O)Nc1ccc(OC2CCCC2)cc1)c1ccc(F)cc1 218744705 SBTXCTYSXHUISU-UHFFFAOYSA-N 434.533 4.332 70 40 IIIB COc1ccc(C(=O)C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 96022880 QFJCHXAQEBDKRQ-UHFFFAOYSA-N 438.463 4.243 70 40 IIIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218248272 LEXPNOMFDPVKON-UHFFFAOYSA-N 430.614 4.448 70 40 IIIB COc1ccccc1CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 218414148 GYZZVGKUQOABMB-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2O1 218523996 JPNIKLYWHMMEFB-GOSISDBHSA-N 448.972 4.157 70 40 IIIB Cc1cc(C(=O)N[C@H](C)COc2ccccc2C)ccc1NS(=O)(=O)c1ccccc1 218602349 XNWOMOQMYZTFKG-LJQANCHMSA-N 438.549 4.302 70 40 IIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 218584472 WDGQQBWQVQGSPU-GOSISDBHSA-N 438.549 4.302 70 40 IIIB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 218204804 PBRUBKSSXXSQHN-GOSISDBHSA-N 429.966 4.383 70 40 IIIB O=C(Nc1cccc2ccccc12)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218436759 GJJKMQULWYDEMC-DEOSSOPVSA-N 444.512 4.435 70 40 IIIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1ccc(C(C)C)cc1 218624973 UDNQUBVUPYXDJX-UHFFFAOYSA-N 428.598 4.266 70 40 IIIB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCc1ccc(F)cc1 218314380 FCDXQBVENXXGOB-UHFFFAOYSA-N 440.540 4.155 70 40 IIIB O=C(COc1ccc(Cl)cc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217597499 GMCKJKASCLAEMK-QHCPKHFHSA-N 442.987 4.391 70 40 IIIB COc1cc(CNC(=O)CSCc2ccc(Br)cc2)cc(OC)c1OC 218196552 HKBUUVKYXZLJML-UHFFFAOYSA-N 440.359 4.025 70 40 IIIB COc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 218408443 GXBNEHOFDORDBQ-UHFFFAOYSA-N 438.549 4.167 70 40 IIIB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 218511268 ODHQFUJRFWFQPK-UHFFFAOYSA-N 448.544 4.263 70 40 IIIB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ccccc23)cn1 217975204 YTKJFQKEQCVRCO-UHFFFAOYSA-N 430.493 4.061 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218718301 BXDARKAAVPXBMI-HNNXBMFYSA-N 429.904 4.441 70 40 IIIB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 218204886 PBRUBKSSXXSQHN-SFHVURJKSA-N 429.966 4.383 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)c(OC)c1 218075174 RSPGQUWEVPLAMZ-OAHLLOKOSA-N 427.526 4.034 70 40 IIIB O=C(CCc1ccccc1Br)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217658762 DLZBWIYFOFDWIN-SFHVURJKSA-N 425.330 4.114 70 40 IIIB Cc1ccc(Cl)cc1N(CCCC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 218557633 YRNIKYCFUFANLP-UHFFFAOYSA-N 440.968 4.083 70 40 IIIB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217599369 VUGZYAITWUKDKJ-XMMPIXPASA-N 444.579 4.363 70 40 IIIB Cn1nc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2Cl)c2c1CCC2 217903014 WXTRKHBWKXMRDE-UHFFFAOYSA-N 434.323 4.416 70 40 IIIB CN(CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 218093284 AAMFOERKUDNWJI-SANMLTNESA-N 445.588 4.327 70 40 IIIB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218491732 UAPKKGHRDYVCDJ-LSDHHAIUSA-N 443.396 4.285 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)c(OC)c1 217984748 MILLIFZYNLJVPA-UHFFFAOYSA-N 433.917 4.158 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 218549622 VXANYPGDWNCBKI-UYAOXDASSA-N 444.597 4.185 70 40 IIIB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218492793 IGEQQXJAEDZRCS-CYBMUJFWSA-N 447.359 4.036 70 40 IIIB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1-c1cn2ccsc2n1 218560078 ARIOHYUASAPUOO-UHFFFAOYSA-N 445.479 4.064 70 40 IIIB Cc1ccc(C(=O)NCCSC2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 218515778 NJGGOFOYAQONCP-UHFFFAOYSA-N 438.659 4.355 70 40 IIIB CCOc1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 218573255 RWDYCSBUVIESFB-UHFFFAOYSA-N 438.549 4.249 70 40 IIIB COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)CC(C)(C)O2 218188263 UWWOHMFRKYOFNQ-HCWHUNCVSA-N 427.497 4.153 70 40 IIIB Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 218514942 FKJHVVPBMKSOQG-UHFFFAOYSA-N 446.638 4.390 70 40 IIIB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 218483638 CLUOZAINRJQPAG-AWEZNQCLSA-N 438.977 4.267 70 40 IIIB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 218369248 GAUZXFWSFWCRAR-NQIIRXRSSA-N 444.597 4.185 70 40 IIIB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 218670559 ALHMTGACRZGVCK-HNNXBMFYSA-N 439.512 4.135 70 40 IIIB CN(c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 218303691 NSQNCTFAMZAGAL-UHFFFAOYSA-N 426.513 4.013 70 40 IIIB COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)[nH]n1 217950513 PTXIOAJNXSNJKH-DDOGDFNNSA-N 432.568 4.121 70 40 IIIB CC(C)Oc1cccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 218651502 QQMQJOSUROHOCB-UHFFFAOYSA-N 438.549 4.232 70 40 IIIB Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCC1 218514399 BMQYWTQWIUNSMK-UHFFFAOYSA-N 428.598 4.266 70 40 IIIB COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 218053619 ACPVXEYCFGHXGP-VBXWPYOKSA-N 433.596 4.462 70 40 IIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 218414882 WDGWJPDBJSXADZ-LJQANCHMSA-N 438.549 4.302 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218369574 IZFAJHDLVAEJFB-NQIIRXRSSA-N 444.597 4.185 70 40 IIIB Cc1cccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 218503637 BMKGNSQRDJMNEQ-UHFFFAOYSA-N 446.638 4.141 70 40 IIIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1C 216644484 XQXUZDYEQOMAJP-INIZCTEOSA-N 445.516 4.151 70 40 IIIB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487652 BDCCPKCPQKOFDT-GFCCVEGCSA-N 431.341 4.104 70 40 IIIB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](C)(O)c3cc4ccccc4s3)cc2)co1 217516636 MOSLQEGNDBQAMP-OAQYLSRUSA-N 428.535 4.051 70 40 IIIB CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218479596 DPURIQZBRVUGJF-KRWDZBQOSA-N 437.005 4.367 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 218575996 HGCDUKJPRHVGHY-IBGZPJMESA-N 438.549 4.302 70 40 IIIB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 218448695 PUDOAQQBHWFIDB-KRWDZBQOSA-N 442.512 4.198 70 40 IIIB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)CN1C 217726891 CAJXGAXDSCKSON-GQOCTPOGSA-N 436.508 4.272 70 40 IIIB O/N=C(/C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 102479401 RRQDUBVGSSCSJY-RFBIWTDZSA-N 427.440 4.072 70 40 IIIB Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O 218270482 DKTAGCHCIOVKKK-UHFFFAOYSA-N 437.005 4.287 70 40 IIIB O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Cl)c(C(F)(F)F)c1 218194033 ZDCONQQFWKUBNF-LLVKDONJSA-N 439.912 4.010 70 40 IIIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 218350926 NFXGNQLRDJIJND-UHFFFAOYSA-N 440.968 4.118 70 40 IIIB COc1cccc([C@H]2SCCN2C(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)c1 217638698 YBMRTDGVXCSSHM-HSZRJFAPSA-N 439.537 4.001 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(C)cc3)n2)c(OC)c1 218145450 NHFZBERYBMMVBQ-OAHLLOKOSA-N 427.526 4.201 70 40 IIIB COc1ccc([C@@H]2SCCN2C(=O)COc2ccccc2OC)cc1Br 217629608 ZMQQBNLNRLXQDK-IBGZPJMESA-N 438.343 4.119 70 40 IIIB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cn(C[C@@H](O)c2ccccc2F)nn1 217475457 LHFIGUOFPZBCPK-MRXNPFEDSA-N 428.773 4.075 70 40 IIIB CC(C)c1ccc(CCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 218279963 FZNFEGLYLAZLGH-UHFFFAOYSA-N 438.593 4.478 70 40 IIIB Cc1ccccc1CSCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 218503745 WSQRXCVNKXARTB-UHFFFAOYSA-N 446.638 4.141 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 218408805 YWSMIWPUPYCIRU-IBGZPJMESA-N 438.549 4.302 70 40 IIIB CCc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 218305470 LTAICQFOSIDRPD-UHFFFAOYSA-N 434.627 4.092 70 40 IIIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 218481527 CRFRUQHLGYBFSK-LBPRGKRZSA-N 431.341 4.104 70 40 IIIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218718222 BXDARKAAVPXBMI-OAHLLOKOSA-N 429.904 4.441 70 40 IIIB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1C 218367898 RAWCDOPFLBCBQF-GOSISDBHSA-N 430.570 4.418 70 40 IIIB Cc1cc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(Cl)cc1Cl 217822334 KUYWNSXVHKKZBG-GFCCVEGCSA-N 430.357 4.206 70 40 IIIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217879718 PBSOOABDGOKEOF-UHFFFAOYSA-N 435.528 4.459 70 40 IIIB COc1ccc2cc(C(=O)N3CCC(N4CCC[C@@H]4COCc4ccccc4)CC3)[nH]c2c1 217600452 FQABVQGLVQHQBT-HSZRJFAPSA-N 447.579 4.462 70 40 IIIB Cc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 218585721 MCSFGAREIFSTLW-UHFFFAOYSA-N 438.549 4.221 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 218378792 IXTBKBWGVDHHGF-RXVVDRJESA-N 444.597 4.185 70 40 IIIB CC(C)c1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 217566465 LLLHJQXFZNAVMJ-HWHXTQLESA-N 433.596 4.386 70 40 IIIB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 218369334 GAUZXFWSFWCRAR-WIYYLYMNSA-N 444.597 4.185 70 40 IIIB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 218466645 XLWRGLOLXPINIR-LLVKDONJSA-N 435.760 4.118 70 40 IIIB COc1ccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1 218090875 YFBJHAYKQDGNQU-UHFFFAOYSA-N 433.917 4.206 70 40 IIIB COC(=O)c1sccc1S(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 217642451 PMHHJTIRFAALDY-CQSZACIVSA-N 438.379 4.278 70 40 IIIB COC(=O)c1sccc1S(=O)(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 217642545 PMHHJTIRFAALDY-AWEZNQCLSA-N 438.379 4.278 70 40 IIIB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 218378877 IXTBKBWGVDHHGF-GHTZIAJQSA-N 444.597 4.185 70 40 IIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 218602598 ALHDEEWVBXARAS-IBGZPJMESA-N 438.549 4.302 70 40 IIIB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218492731 IGEQQXJAEDZRCS-ZDUSSCGKSA-N 447.359 4.036 70 40 IIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 218369696 IZFAJHDLVAEJFB-RXVVDRJESA-N 444.597 4.185 70 40 IIIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCCOc1ccccc1 218728705 CANSKRMZWLOAQI-UHFFFAOYSA-N 430.302 4.317 70 40 IIIB COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc21 218015625 VUYZOZQGGDWSIQ-XMQYJYNESA-N 447.623 4.252 70 40 IIIB