smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 216841450 BYILDBISCGRMFU-UHFFFAOYSA-N 486.594 2.120 70 40 JEIB O=c1cc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(c3ccccc3)CC2)c1O 217560739 YQFGMWJPCOERGA-LEWJYISDSA-N 488.588 2.449 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 216824654 KLOFWCBNADAASO-FQEVSTJZSA-N 470.595 2.114 70 40 JEIB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC 216842151 XZEAFNPCCCNFKC-UHFFFAOYSA-N 474.583 2.023 70 40 JEIB CN1CCN(C(=O)Cc2cn(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc23)CC1 217527679 QCJOBTAFYRUYSY-RBBKRZOGSA-N 459.594 2.196 70 40 JEIB COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217522973 DHDLGDJICXZNAK-MISYGKQFSA-N 462.502 2.405 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1NC(C)=O 216659527 HLRNQAQCDCNQJD-OAHLLOKOSA-N 472.527 2.370 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 216781842 XLZLZLKJTDOEKC-GOSISDBHSA-N 451.976 2.012 70 40 JEIB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C2)cc1 216822503 DXICDBZKCKSWMG-OAQYLSRUSA-N 484.622 2.422 70 40 JEIB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1C 216811914 OGIRUGQZNFAHID-UHFFFAOYSA-N 459.612 2.447 70 40 JEIB COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217523125 DHDLGDJICXZNAK-MGFJRNAPSA-N 462.502 2.405 70 40 JEIB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)CC2)cc1 216821577 QASHOZQRDNREQC-UHFFFAOYSA-N 484.622 2.422 70 40 JEIB CC1(C)OC(=O)c2c(cc(OS(=O)(=O)C(F)(F)F)cc2OS(=O)(=O)C(F)(F)F)O1 95540890 STZNGFVMXJHHIE-UHFFFAOYSA-N 474.309 2.429 70 40 JEIB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl 216817373 JXOLQSFTVZXXDF-HNNXBMFYSA-N 495.001 2.042 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C)CC1 216821250 ZGIBSNQVYPCJRE-LJQANCHMSA-N 466.003 2.449 70 40 JEIB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216834310 WRPAWMUHWWMQRP-UHFFFAOYSA-N 488.610 2.122 70 40 JEIB O=C([C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217564043 PTFCOIPEVPTKNN-ZNMIVQPWSA-N 496.365 2.486 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 216781797 XLZLZLKJTDOEKC-SFHVURJKSA-N 451.976 2.012 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1 216821972 XGRDBGZGPILYIX-UHFFFAOYSA-N 488.585 2.253 70 40 JEIB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217588069 UGJPKECSBBDNQH-WDYCEAGBSA-N 468.941 2.348 70 40 JEIB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 216796606 FHSNNCXUPFMJLN-UHFFFAOYSA-N 474.004 2.476 70 40 JEIB CC(=O)N[C@H]1[C@@H](OCCOc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 217369300 UBTBEMLSCQKAMX-ADHGMGHFSA-N 450.315 2.131 70 40 JEIB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C 216818158 XVGHRSHYXDLIHM-SFHVURJKSA-N 488.610 2.087 70 40 JEIB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1Cl 216796424 GWLUOPWQGNKIIJ-UHFFFAOYSA-N 459.977 2.086 70 40 JEIB CC1(C)N=C(N)N=C(N)N1c1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 43871764 AEHVUROEVKHVAH-UHFFFAOYSA-N 460.535 2.492 70 40 JEIB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 216788498 LNFJPXUACNGKPL-UHFFFAOYSA-N 461.540 2.060 70 40 JEIB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216830686 HGRKRGCFXNJCNS-GOSISDBHSA-N 488.610 2.169 70 40 JEIB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1OC 216800709 BQZGTRGSFSDHQY-UHFFFAOYSA-N 475.611 2.148 70 40 JEIB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)cc1OC 216801074 BWNNVBDJVGNRDI-UHFFFAOYSA-N 453.605 2.238 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 216811093 ZAJVTGZKRQILBW-UHFFFAOYSA-N 479.002 2.128 70 40 JEIB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@H]1OCCOc1ccc(Cl)cc1Cl 217369382 UBTBEMLSCQKAMX-FLXSYLCISA-N 450.315 2.131 70 40 JEIB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1OC 217517811 PAAFOUOBLJGIRE-QBVRBKIRSA-N 450.447 2.358 70 40 JEIB biogenic COc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 216813451 CGBDVECITYWZPC-UHFFFAOYSA-N 461.584 2.418 70 40 JEIB COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 216800899 YQCDYBVSHKQJBY-UHFFFAOYSA-N 477.583 2.118 70 40 JEIB COc1ccc(CCNC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(C)C)cc1OC 217796505 PZWHJLALOYVZLL-DFIYOIEZSA-N 496.608 2.378 70 40 JEIB O=C([C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217563952 PTFCOIPEVPTKNN-RRFJBIMHSA-N 496.365 2.486 70 40 JEIB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216816576 BXMZKTCAUYMBJF-OAHLLOKOSA-N 464.975 2.033 70 40 JEIB CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1 43620392 NFXOUTIYKMHBBL-UHFFFAOYSA-N 482.925 2.201 70 40 JEIB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C 216818196 XVGHRSHYXDLIHM-GOSISDBHSA-N 488.610 2.087 70 40 JEIB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216816614 BXMZKTCAUYMBJF-HNNXBMFYSA-N 464.975 2.033 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1NC(C)=O 216657381 CVYXIANIHKPBOO-HNNXBMFYSA-N 472.527 2.370 70 40 JEIB CC1(C)NC(=N)NC(=N)N1CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1 104120811 HQYKQCBHHJRIGV-UHFFFAOYSA-N 476.534 2.466 70 40 JEIB COc1ccc(-c2noc(CCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)n2)cc1OC 218037034 YBQRYLLSXLXHNT-DOTOQJQBSA-N 450.495 2.494 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1NC(C)=O 216657334 CVYXIANIHKPBOO-OAHLLOKOSA-N 472.527 2.370 70 40 JEIB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1 216807542 MAEXQDPHTYBQEG-UHFFFAOYSA-N 472.611 2.259 70 40 JEIB CC1(C)N=C(N)N=C(N)N1c1ccc(CCCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 43307421 BYLGMGAZOFKLLC-UHFFFAOYSA-N 460.535 2.492 70 40 JEIB C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@]3(O4)[C@@H]12 217512049 LSRIMIMKYMVJJN-WVGZRTCOSA-N 462.458 2.448 70 40 JEIB Cc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F 43307764 WOKPARJRGNUMDA-UHFFFAOYSA-N 460.535 2.410 70 40 JEIB C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccc5c(c4)OCO5)[C@H]4C=C[C@@]3(O4)[C@@H]12 217512224 LSRIMIMKYMVJJN-USUVPYNLSA-N 462.458 2.448 70 40 JEIB COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)OC(C)(C)OC2=O)cc1 217469613 CANLEWXPTZODFA-RBUKOAKNSA-N 466.534 2.341 70 40 JEIB CC1(C)N=C(N)N=C(N)N1c1ccc(CCCC(=O)Nc2ccccc2S(=O)(=O)F)cc1 43300614 MCOVTUHRINHXFP-UHFFFAOYSA-N 460.535 2.492 70 40 JEIB Cn1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCc2ccccc2C1 217568903 UCGOKQRIMIPUEN-SIKLNZKXSA-N 472.589 2.430 70 40 JEIB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)NC(C)C 216841223 JCRRWUZOMAVKKM-UHFFFAOYSA-N 474.583 2.022 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C)CC1 216821211 ZGIBSNQVYPCJRE-IBGZPJMESA-N 466.003 2.449 70 40 JEIB C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@]3(O4)[C@@H]12 217512142 LSRIMIMKYMVJJN-PEFDUJKISA-N 462.458 2.448 70 40 JEIB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2C[C@@H]3Cc4cccc(=O)n4[C@@H](C3)C2)CC1 217527802 ZLQSNJDWLHFLQD-WOOVXOMTSA-N 490.604 2.147 70 40 JEIB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217765890 HSPSTJBJNZYXRG-SCTDSRPQSA-N 468.941 2.348 70 40 JEIB CCOCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@@H]1OS(=O)(=O)C(F)(F)F 2362804288 DHMYTTWEQFAORG-XJTKPRQNSA-N 472.434 2.086 70 40 JEIB COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217522860 DHDLGDJICXZNAK-DWCSLPCOSA-N 462.502 2.405 70 40 JEIB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216840053 FVOMIXOEYBABLR-UHFFFAOYSA-N 472.611 2.334 70 40 JEIB COC(=O)C[C@H](c1cccnc1)c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O 218007074 QEMVYUWZNYAZOV-ILZDJORESA-N 477.517 2.216 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1NC(C)=O 216637172 WIPGLOQIMOCADH-UHFFFAOYSA-N 472.527 2.370 70 40 JEIB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1Cl 216820177 ALXBEJGNNXLNBI-FQEVSTJZSA-N 466.003 2.449 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 216824614 KLOFWCBNADAASO-HXUWFJFHSA-N 470.595 2.114 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216818460 ZHLQYOQDIPFAEL-OAHLLOKOSA-N 495.001 2.042 70 40 JEIB COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 216812950 YLMUMYYXZRZRGG-UHFFFAOYSA-N 461.584 2.418 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 216823558 WGRWPLCHAWXKBC-LJQANCHMSA-N 488.585 2.253 70 40 JEIB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1 216836175 VEZWQUPVEFMHPT-UHFFFAOYSA-N 488.610 2.088 70 40 JEIB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216810218 GQLQOZUYDHNKMU-UHFFFAOYSA-N 488.610 2.122 70 40 JEIB CCOCO[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@@H]1OS(=O)(=O)C(F)(F)F 2362804285 DHMYTTWEQFAORG-RGGMIXCSSA-N 472.434 2.086 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 216840646 OAMZUEDGKFQZKL-UHFFFAOYSA-N 484.622 2.430 70 40 JEIB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216835299 ZYUMARGAEAVDLY-UHFFFAOYSA-N 488.610 2.087 70 40 JEIB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216839141 SIXGIYQIWXBRNQ-UHFFFAOYSA-N 472.611 2.332 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)CC1 216841132 XOESQQQUAINTCH-UHFFFAOYSA-N 470.595 2.086 70 40 JEIB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1N1CCN(C)CC1 216794764 FKHIQLOTABYUAG-UHFFFAOYSA-N 474.583 2.166 70 40 JEIB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1Cl 216796249 UHOXSEKYOWSFAR-UHFFFAOYSA-N 474.004 2.476 70 40 JEIB COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217523063 DHDLGDJICXZNAK-QPOFRFBZSA-N 462.502 2.405 70 40 JEIB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC 216842616 NALQYTIOZADKBN-UHFFFAOYSA-N 460.556 2.232 70 40 JEIB COC(=O)C[C@@H](c1cccnc1)c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O 218007167 QEMVYUWZNYAZOV-HQRMLTQVSA-N 477.517 2.216 70 40 JEIB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1OC 216800531 UEEZZICSJBAMCA-UHFFFAOYSA-N 461.584 2.105 70 40 JEIB CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 216810754 YDLQWCNVDLRWPO-UHFFFAOYSA-N 479.002 2.377 70 40 JEIB CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1cc(C)ccc1OC 216812650 MKQRPBQINXKBPT-UHFFFAOYSA-N 488.610 2.041 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)cc1NC(C)=O 216638517 PBHLOGWEPDITDJ-UHFFFAOYSA-N 472.527 2.370 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216818422 ZHLQYOQDIPFAEL-HNNXBMFYSA-N 495.001 2.042 70 40 JEIB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216830724 HGRKRGCFXNJCNS-SFHVURJKSA-N 488.610 2.169 70 40 JEIB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1Cl 216820209 ALXBEJGNNXLNBI-HXUWFJFHSA-N 466.003 2.449 70 40 JEIB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1N1CCN(C)CC1 216791450 REKXSNYBEMUUCZ-UHFFFAOYSA-N 452.964 2.261 70 40 JEIB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216785482 QCVASQNVCIAENL-UHFFFAOYSA-N 461.540 2.060 70 40 JEIB CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 216816251 ZVVGLYNNWLFILN-UHFFFAOYSA-N 488.610 2.041 70 40 JEIB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1OC 217517727 PAAFOUOBLJGIRE-QELHCHSZSA-N 450.447 2.358 70 40 JEIB biogenic CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 43300452 QADXPABWHTZYHG-UHFFFAOYSA-N 482.925 2.201 70 40 JEIB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC 216842238 SAVMQYUXBXWMJV-UHFFFAOYSA-N 488.610 2.366 70 40 JEIB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl 216817411 JXOLQSFTVZXXDF-OAHLLOKOSA-N 495.001 2.042 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 216821479 FBILVZUTTUXKKN-UHFFFAOYSA-N 470.595 2.114 70 40 JEIB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C2)cc1 216822546 DXICDBZKCKSWMG-NRFANRHFSA-N 484.622 2.422 70 40 JEIB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1NC(C)=O 216659569 HLRNQAQCDCNQJD-HNNXBMFYSA-N 472.527 2.370 70 40 JEIB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1N1CCN(C)CC1 216790706 VSMRRXUXSVARCP-UHFFFAOYSA-N 467.389 2.361 70 40 JEIB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C 216813864 RAIPBFMFPUPXNK-UHFFFAOYSA-N 488.610 2.041 70 40 JEIB CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 216810579 NOJTVHOYDDCKHA-UHFFFAOYSA-N 458.584 2.032 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)cc2)CC1 216844090 BQWQBDHDEKDAJG-UHFFFAOYSA-N 451.552 2.275 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 216823590 WGRWPLCHAWXKBC-IBGZPJMESA-N 488.585 2.253 70 40 JEIB COc1ccc(CCNC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(C)C)cc1 217653241 CNNVRXBXSZOMLX-ROKPMTFOSA-N 466.582 2.369 70 40 JEIB CN1CCN(C(=O)c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 216809146 PKTFFOSCWYWLFQ-UHFFFAOYSA-N 480.590 2.487 70 40 JEIB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216833254 LMFJNGFFRUWCLG-UHFFFAOYSA-N 488.610 2.170 70 40 JEIB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 216830514 DSEOGQZANONEGG-UHFFFAOYSA-N 488.610 2.026 70 40 JEIB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C 216796069 MKMYOSBFYNSLDN-UHFFFAOYSA-N 453.586 2.131 70 40 JEIB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217587012 UROYYOAJWMUPHQ-KPLVRAHFSA-N 487.560 2.219 70 40 JEIB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 216796311 QOWNIXCJXYAYAU-UHFFFAOYSA-N 459.977 2.086 70 40 JEIB