smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 217996711 UGKVTUWHQUSPHJ-MRXNPFEDSA-N 388.964 4.780 70 40 GJIB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)c(C)c1 218188905 YBHJSBJXNCNHSB-BPOBUFBUSA-N 383.488 4.610 70 40 GJIB CC(C)Oc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1 217980994 GFVOIQXQOGFQMI-UHFFFAOYSA-N 377.937 4.968 70 40 GJIB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1OCC 218041191 FBTMQWJIEIUZNZ-UHFFFAOYSA-N 393.936 4.687 70 40 GJIB CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 217837983 VVWQCOXGWUGCFE-HNNXBMFYSA-N 398.286 4.657 70 40 GJIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)c1 216725353 XIXQZHSDKWDVCI-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 217954855 RVQYIPISGPGIQM-JLHYYAGUSA-N 375.472 4.672 70 40 GJIB O=C(CSCc1cccc(Cl)c1)NCCCN1CCCc2ccccc21 218040977 KHAPGSHFTFCNDL-UHFFFAOYSA-N 388.964 4.532 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccc(C)cc1)CC(C)(C)O2 218149620 AYXLUIHZNVJHSL-IBGZPJMESA-N 385.529 4.904 70 40 GJIB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 217954645 DYCKXQJKAOPLBA-JUALLIRVSA-N 399.556 4.668 70 40 GJIB O=C(NCCCN1CCCc2ccccc21)/C(=C/c1ccco1)c1ccccc1 218108872 CIHDDUVUMDEJJE-FCDQGJHFSA-N 386.495 4.779 70 40 GJIB COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218115478 JLZMNXCWCQAAJO-LJQANCHMSA-N 385.529 4.655 70 40 GJIB O=C(Nc1ccccc1Cl)Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl 104161786 OVPMBVCUSMVMGU-UHFFFAOYSA-N 398.626 4.916 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216713504 MVBJHIIKLYUPPE-IBGZPJMESA-N 385.389 4.717 70 40 GJIB CN1CCC[C@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1 216915675 MGGLJGPAUQRUFH-SFHVURJKSA-N 393.531 4.517 70 40 GJIB COc1cccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc54)o3)n2)c1 218501042 IGWADQKUWINFER-UHFFFAOYSA-N 399.406 4.575 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1C 218017367 XVWWZKKAMBYREU-IBGZPJMESA-N 385.529 4.655 70 40 GJIB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 218665731 GVIMJNNBMMMPTH-QGZVFWFLSA-N 399.531 4.518 70 40 GJIB O=C(CSCc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 218047339 VXLQWSWLUMYMRF-UHFFFAOYSA-N 388.964 4.532 70 40 GJIB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OC(C)C 218662524 HUBXJICXXWTNLM-QGZVFWFLSA-N 399.531 4.864 70 40 GJIB CN(CCNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 217998946 XYIWTWKYRBXXSB-UHFFFAOYSA-N 376.525 4.845 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccc(C)cc1 218149813 AEGJHWKWQGNPEP-IBGZPJMESA-N 385.529 4.904 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)SCc1ccccc1)CC(C)(C)O2 218070833 FPTYWTNMBUHPPL-KXBFYZLASA-N 385.529 4.736 70 40 GJIB COc1cccc(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)[nH]n2)c1 217491396 DIIFVCLMJAEHNT-SFHVURJKSA-N 393.462 4.634 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)SCc1ccccc1 218071094 DVIDIYXXEFBNPZ-DNVCBOLYSA-N 385.529 4.736 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)CC(C)(C)O2 218141017 OIFRIZYNAPUEON-HNAYVOBHSA-N 385.529 4.903 70 40 GJIB CN1CCC(CCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 216929650 FXEOZGWQAOMMLR-HEHNFIMWSA-N 382.935 4.729 70 40 GJIB Nc1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 104211193 HSSXSNHVFPUFQS-UHFFFAOYSA-N 376.280 4.799 70 40 GJIB CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 218038704 QGJHRGVOWARSOM-QGZVFWFLSA-N 393.936 4.858 70 40 GJIB COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218115548 JLZMNXCWCQAAJO-IBGZPJMESA-N 385.529 4.655 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc(C)cc1 218141369 RTSJEVQLSLBEFI-HNAYVOBHSA-N 385.529 4.903 70 40 GJIB COC(=O)c1ccc(C(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)cc1 217641733 YFVJRHGSFUKXTM-KRWDZBQOSA-N 396.295 4.668 70 40 GJIB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CC1CCN(C)CC1 216904387 NNZGMTPIFLQYNP-UHFFFAOYSA-N 388.895 4.811 70 40 GJIB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OCC 218662406 JJFBRODRSVBUTP-KRWDZBQOSA-N 399.531 4.865 70 40 GJIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(F)cc1Cl 217878179 XAQVMSQXRRPZQT-UHFFFAOYSA-N 389.883 4.712 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)SCc1ccccc1)CC(C)(C)O2 218070911 FPTYWTNMBUHPPL-HNAYVOBHSA-N 385.529 4.736 70 40 GJIB COc1cc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OC(C)C 217985870 GTLZGMIYCRKEGH-CQSZACIVSA-N 393.936 4.933 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(Cl)cc1)CC(C)(C)O2 217982629 DOUHWOCLYUWSBO-KRWDZBQOSA-N 391.920 4.859 70 40 GJIB CCCCOc1ccc(NC(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1 218004762 UEAFZGFNZLFLTH-QFIPXVFZSA-N 382.460 4.641 70 40 GJIB Cn1nc(CN(C(=O)c2ccccc2C(F)(F)F)C2CCCC2)cc1C1CC1 217898901 ZCTPUCGZZRXYPP-UHFFFAOYSA-N 391.437 4.901 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc(C)cc1 218141279 RTSJEVQLSLBEFI-KXBFYZLASA-N 385.529 4.903 70 40 GJIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 218674661 TXGSOAYXDABVJF-OAHLLOKOSA-N 379.843 4.977 70 40 GJIB Cc1ccc(SCCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216930861 LBALETUZHDKESG-UHFFFAOYSA-N 384.545 4.589 70 40 GJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216732625 FHCXAAASHZYQRP-IBGZPJMESA-N 387.252 4.914 70 40 GJIB CCCOc1ccccc1CCCNC(=O)c1ccc(Br)cc1 217868982 PNEBSUBXMCNCCT-UHFFFAOYSA-N 376.294 4.601 70 40 GJIB CCCOc1ccccc1CCCNC(=O)CSc1ccc(Cl)cc1 217981478 LSMDQDSEBQENEF-UHFFFAOYSA-N 377.937 4.970 70 40 GJIB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217028497 OAWCVTWFTKYJHH-JOCHJYFZSA-N 396.531 4.573 70 40 GJIB Cc1ccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 218542583 UPPZJTZTZFKLLG-UHFFFAOYSA-N 377.488 4.592 70 40 GJIB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217028135 JSLQOWMHZRVBNV-QFIPXVFZSA-N 396.531 4.573 70 40 GJIB COc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 218104005 QHIYYFZMECJFAM-HEHNFIMWSA-N 391.467 4.586 70 40 GJIB Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 217491669 WCGULSUXGUGYGB-LJQANCHMSA-N 377.463 4.636 70 40 GJIB C[C@@](O)(CNC(=O)Cc1cccc2ccccc12)c1cc2ccccc2s1 217503940 PKMOITFVMFYLBI-HSZRJFAPSA-N 375.493 4.621 70 40 GJIB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 218674927 BNUJTANZJFCPSX-INIZCTEOSA-N 375.896 4.644 70 40 GJIB CN1CCC[C@@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1 216915650 MGGLJGPAUQRUFH-GOSISDBHSA-N 393.531 4.517 70 40 GJIB COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218115295 BVKFYLAVXAIYST-LJQANCHMSA-N 385.529 4.655 70 40 GJIB CC1(C)C[C@@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 218029178 XFUKBJIOALQORT-QGZVFWFLSA-N 375.921 4.992 70 40 GJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Nc3cccs3)C2)n1 217832791 KXVYUOIQDOBUKT-HNNXBMFYSA-N 382.489 4.593 70 40 GJIB O=C1OC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c2ccccc21 217526881 VYHUEEVPASOOSF-UHFFFAOYSA-N 389.476 4.717 70 40 GJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 218672793 YTXNDITZTJBLKB-IBGZPJMESA-N 394.559 4.711 70 40 GJIB CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218738006 ZTLCHNAEUPPUOG-GOSISDBHSA-N 391.895 4.784 70 40 GJIB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OCC 218662331 JJFBRODRSVBUTP-QGZVFWFLSA-N 399.531 4.865 70 40 GJIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 217494334 MDNDYTUUSJBBSC-SFHVURJKSA-N 395.453 4.775 70 40 GJIB CC[C@@H](NC(=O)c1ccccc1I)c1ccc(C)c(C)c1 218218177 MMGAPTMDRDVVLY-QGZVFWFLSA-N 393.268 4.789 70 40 GJIB Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 217833330 IZKRHEUYMFQGAR-SFHVURJKSA-N 390.487 4.840 70 40 GJIB CC1(C)C[C@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 218029253 XFUKBJIOALQORT-KRWDZBQOSA-N 375.921 4.992 70 40 GJIB Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1S(=O)(=O)Cl 115349561 XNPNBYZFSUDQEK-UHFFFAOYSA-N 386.178 4.782 70 40 GJIB CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(OC)c(OC)c1 218031749 CAQYTRSDGRGKLL-QGZVFWFLSA-N 393.936 4.858 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccc(C)cc1 218149899 AEGJHWKWQGNPEP-LJQANCHMSA-N 385.529 4.904 70 40 GJIB COc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1OC 218495989 ADNAGJZYQLTEHD-UHFFFAOYSA-N 391.423 4.542 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216713546 MVBJHIIKLYUPPE-LJQANCHMSA-N 385.389 4.717 70 40 GJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 218671973 IDYVYNKRRZGPKW-CQSZACIVSA-N 399.516 4.522 70 40 GJIB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216930671 AGYGWJFXTKNDAC-QGZVFWFLSA-N 384.545 4.587 70 40 GJIB Cc1noc(-c2ccsc2NC(=O)c2cc(Br)ccc2Cl)n1 217648119 XXRMQMHORWXTAG-UHFFFAOYSA-N 398.669 4.775 70 40 GJIB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 218665806 GVIMJNNBMMMPTH-KRWDZBQOSA-N 399.531 4.518 70 40 GJIB O=C1CS[C@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccco1 216676603 LASYQISAIRGXHB-GOSISDBHSA-N 392.402 4.863 70 40 GJIB CCCCOc1ccc(NC(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217818507 AOSHDLDNTOOTAJ-MRXNPFEDSA-N 398.507 4.613 70 40 GJIB O=C1CS[C@@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccco1 216676557 LASYQISAIRGXHB-SFHVURJKSA-N 392.402 4.863 70 40 GJIB CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OC3CCCC3)cc12 217768923 XMYXMMJOCCNOBZ-UHFFFAOYSA-N 378.472 4.891 70 40 GJIB Cn1nc(CN(C(=O)c2ccccc2C(F)(F)F)C2CCCC2)c2c1CCC2 217909000 CWSPGYVFIXGEJU-UHFFFAOYSA-N 391.437 4.513 70 40 GJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1 218543278 JAMPHHVLLNUACN-UHFFFAOYSA-N 377.488 4.625 70 40 GJIB Cc1ccccc1OC[C@H](C)NC(=O)CSCc1c(F)cccc1Cl 218202793 VIZOKOFQFDVFPQ-AWEZNQCLSA-N 381.900 4.604 70 40 GJIB Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 217833425 IZKRHEUYMFQGAR-GOSISDBHSA-N 390.487 4.840 70 40 GJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccc(Cl)cc1 217985155 BMEUHEFOIVXRGS-UHFFFAOYSA-N 393.921 4.592 70 40 GJIB C[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2s1 217504213 OUOOBZHXUAHECK-SFHVURJKSA-N 379.403 4.558 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(Cl)cc1)CC(C)(C)O2 217982708 DOUHWOCLYUWSBO-QGZVFWFLSA-N 391.920 4.859 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(C)cc1)CC(C)(C)O2 218023654 LWNDPIVHTHTJES-IBGZPJMESA-N 385.529 4.655 70 40 GJIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)Nc1ccc(Cl)c(Cl)c1 95698200 IILNKLJBUDSIES-UHFFFAOYSA-N 379.652 4.565 70 40 GJIB Brc1cccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)c1 216735078 PTBKWUOHWBIVCU-HXUWFJFHSA-N 383.289 4.771 70 40 GJIB CN1CCC(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 216902431 VLCKIFHGIPSNLK-UHFFFAOYSA-N 392.543 4.886 70 40 GJIB CCOc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1 218202426 RHSRXOHXIDVAQB-UHFFFAOYSA-N 395.927 4.860 70 40 GJIB CCOc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1 218029359 JSCZSNNOYHCQEG-UHFFFAOYSA-N 377.937 4.721 70 40 GJIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 218758002 KCFPYOHZBQEPJA-VQTJNVASSA-N 383.488 4.580 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 217956269 NCRXNDQUHQVTGQ-FMIVXFBMSA-N 381.501 4.767 70 40 GJIB CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OCC 217985781 FVMYYGKIENIYPK-AWEZNQCLSA-N 393.936 4.934 70 40 GJIB COc1cc(CNC(=O)CSc2ccc(Cl)cc2)ccc1OC(C)C 217979955 HNYQFFWKFRDPFG-UHFFFAOYSA-N 379.909 4.544 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)SCc1ccccc1 218071169 DVIDIYXXEFBNPZ-KXBFYZLASA-N 385.529 4.736 70 40 GJIB CN1CCC(Oc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 216927928 KZMLVDCDVQDJJL-UHFFFAOYSA-N 390.936 4.544 70 40 GJIB COC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 216957597 KRTXIFVVZNYSOP-UHFFFAOYSA-N 385.419 4.695 70 40 GJIB COc1cccc2cc(C(=O)N(Cc3cc(C4CC4)n(C)n3)C3CCCC3)oc12 217898302 OZPFQNGBOSVQRB-UHFFFAOYSA-N 393.487 4.637 70 40 GJIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 218758229 AIQDDEHBYJLHIW-PMACEKPBSA-N 383.488 4.580 70 40 GJIB O=C(CSCc1ccccc1Cl)NCCCN1CCCc2ccccc21 218034099 XMWQJGZWFGBSTB-UHFFFAOYSA-N 388.964 4.532 70 40 GJIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 218712637 QNLBYIGJIFEFDC-DLBZAZTESA-N 375.896 4.616 70 40 GJIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(-c2ccsc2)cc1 218131507 BYJWBDPDBTXGCD-OAHLLOKOSA-N 383.542 4.518 70 40 GJIB CC1(C)C[C@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 218042698 FZJUWDIAQJFVTK-KRWDZBQOSA-N 375.921 4.992 70 40 GJIB COc1ccc(OC[C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 218496982 HFUCZWGOWQIXRK-OAHLLOKOSA-N 375.424 4.792 70 40 GJIB COc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 218153557 HQKYMTQMXIRMAU-UHFFFAOYSA-N 398.355 4.984 70 40 GJIB CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C)cc1C 218214919 HOYMLMMTBXLHHX-KRWDZBQOSA-N 393.268 4.789 70 40 GJIB O=C(Nc1cccc(Cl)c1)Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl 104161347 ZQKVDZMBTSUVFF-UHFFFAOYSA-N 398.626 4.916 70 40 GJIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 218758052 KCFPYOHZBQEPJA-PMACEKPBSA-N 383.488 4.580 70 40 GJIB COc1cc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1OC 218497725 DHHOZAMVGLKTQM-UHFFFAOYSA-N 391.423 4.542 70 40 GJIB CCOc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1OCC 218027383 IORZXSMHBATJFF-UHFFFAOYSA-N 393.936 4.687 70 40 GJIB O=C(NCCSCc1ccccc1Cl)c1ccccc1Br 218219501 BVZNTFQVMYEGQH-UHFFFAOYSA-N 384.726 4.766 70 40 GJIB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 217983389 LSEMKQBCRHTOTJ-MRXNPFEDSA-N 379.909 4.717 70 40 GJIB COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)c1 216724256 LSMSIGXFZFFCMZ-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB C[C@](O)(CNC(=O)Cc1cccc2ccccc12)c1cc2ccccc2s1 217504029 PKMOITFVMFYLBI-QHCPKHFHSA-N 375.493 4.621 70 40 GJIB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 217837879 VVWQCOXGWUGCFE-OAHLLOKOSA-N 398.286 4.657 70 40 GJIB C[C@@](O)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 217991640 OEBACWBIYHXWTP-AREMUKBSSA-N 399.490 4.979 70 40 GJIB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 218166940 ZKUYNPBBYGXRJG-UHFFFAOYSA-N 399.450 4.684 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1C 218017448 XVWWZKKAMBYREU-LJQANCHMSA-N 385.529 4.655 70 40 GJIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2Br)c1 216722695 WTAIRUYYKVBZHI-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 218107546 NEGITYYSNAIQNF-HMMYKYKNSA-N 385.423 4.529 70 40 GJIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)c1 216725403 XIXQZHSDKWDVCI-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc2c(ccc3ccccc32)o1 218501656 UUNSTAKGCCJASX-UHFFFAOYSA-N 383.407 4.908 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216714343 PWCZIPCXFMXVDN-LJQANCHMSA-N 385.389 4.717 70 40 GJIB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217028537 OAWCVTWFTKYJHH-QFIPXVFZSA-N 396.531 4.573 70 40 GJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 218672049 IDYVYNKRRZGPKW-AWEZNQCLSA-N 399.516 4.522 70 40 GJIB O=C(CSCc1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1 217877588 GRTMHIDSPYTOJF-UHFFFAOYSA-N 397.569 4.539 70 40 GJIB COC(=O)c1c(C)n(C(=O)COc2cc(C)ccc2C(C)C)c2ccccc12 218739760 RCELRAKJIPLIHB-UHFFFAOYSA-N 379.456 4.887 70 40 GJIB Cn1nc(CN(C(=O)NCc2ccc(Cl)cc2)C2CCCC2)cc1C1CC1 217900683 COAVQJFUZOFNLK-UHFFFAOYSA-N 386.927 4.605 70 40 GJIB CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Cl 217835875 AUYBGOOTYZOLQD-UHFFFAOYSA-N 396.314 4.910 70 40 GJIB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217024034 WTSANJQRIVGFPU-SFHVURJKSA-N 396.531 4.689 70 40 GJIB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 217995099 VJCMTYXLIMEMEJ-ZDUSSCGKSA-N 387.892 4.529 70 40 GJIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)c1 216724440 GKRIOHZUTHXKQH-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB CN(CCNC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 218606049 BNXHYALNDXLNAB-UHFFFAOYSA-N 376.525 4.845 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccc(Cl)cc1 217982815 VWJPWCGJKYHHNE-KRWDZBQOSA-N 391.920 4.859 70 40 GJIB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216930649 AGYGWJFXTKNDAC-KRWDZBQOSA-N 384.545 4.587 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(C)cc1)CC(C)(C)O2 218023730 LWNDPIVHTHTJES-LJQANCHMSA-N 385.529 4.655 70 40 GJIB CC(C)(C)c1ccc(CCC(=O)NCCCN2CCCc3ccccc32)cc1 218544474 NQHHMUVRPDGAHG-UHFFFAOYSA-N 378.560 4.876 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)CC(C)(C)O2 218070674 FPTYWTNMBUHPPL-BEFAXECRSA-N 385.529 4.736 70 40 GJIB CCOc1ccccc1NC(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 217896891 KTZGIDLYJHHLTG-UHFFFAOYSA-N 394.475 4.524 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 217988792 PFBNEJVFLANONA-OAHLLOKOSA-N 377.937 4.968 70 40 GJIB O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1 104170947 DTNUVBPAPZLSSC-OWOJBTEDSA-N 376.192 4.730 70 40 GJIB Cc1ccc(SCc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)cc1 216931875 TWQOBOAJVDIPKD-UHFFFAOYSA-N 382.573 4.749 70 40 GJIB Cc1ccc(OC[C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 218202978 DOVZJRYTADHVMX-AWEZNQCLSA-N 381.900 4.604 70 40 GJIB CCCCOc1ccc(NC(=O)NCCn2ccc(-c3ccsc3)n2)cc1 217891207 PNRQKZXCEMHKNK-UHFFFAOYSA-N 384.505 4.612 70 40 GJIB Brc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 216736285 VVTRTLDSIXJJKJ-HXUWFJFHSA-N 383.289 4.771 70 40 GJIB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 217835385 QLDCAEFBTRNPOM-UHFFFAOYSA-N 396.314 4.908 70 40 GJIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(Oc2ccccn2)c1 100047361 LKCOLTBNDUOLEF-UHFFFAOYSA-N 381.256 4.789 70 40 GJIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 217905405 HEHGLRSRMBILSZ-CFDVYZKQSA-N 380.271 4.599 70 40 GJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCSc1ccccc1 218085297 NPKYUPDZNNZDRH-UHFFFAOYSA-N 387.892 4.531 70 40 GJIB CC[C@H](NC(=O)c1ccccc1I)c1ccc(C)cc1C 218218420 VDEFEBYBKWAKHG-KRWDZBQOSA-N 393.268 4.789 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218665466 GUNLUAJNKUZYDS-SFHVURJKSA-N 383.532 4.899 70 40 GJIB CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 216674368 HDZWFGNOTDOYFW-JOCHJYFZSA-N 378.497 4.650 70 40 GJIB O=C(Nc1ccccc1C(=O)N1CCCC1)/C(=C/c1ccco1)c1ccccc1 218100707 XLKGNOAJQAOPAM-HEHNFIMWSA-N 386.451 4.695 70 40 GJIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)c1 216724487 GKRIOHZUTHXKQH-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 218757960 KCFPYOHZBQEPJA-UXHICEINSA-N 383.488 4.580 70 40 GJIB O=C(/C=C/c1ccccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1 217462760 FRMJGBNJKJZPRU-JXMROGBWSA-N 387.882 4.948 70 40 GJIB COc1cccc([C@@H]2SCCN2C(=O)c2csc(-c3ccccc3)n2)c1 217638382 UXABURUWYWRYAT-FQEVSTJZSA-N 382.510 4.707 70 40 GJIB CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 218042622 FZJUWDIAQJFVTK-QGZVFWFLSA-N 375.921 4.992 70 40 GJIB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 218675049 QSDLTMGMTQVMBD-MRXNPFEDSA-N 375.896 4.644 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccc(C)cc1)CC(C)(C)O2 218731889 NYWTWVMVRIEQLT-FQEVSTJZSA-N 383.488 4.581 70 40 GJIB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 217989159 VCKBPKGWCVRICU-CQSZACIVSA-N 393.936 4.587 70 40 GJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)n1 217827551 RRONGPWAPNJIFL-INIZCTEOSA-N 395.890 4.793 70 40 GJIB CCN1C(=O)c2cccc3c(NC(=O)c4cc(OC)ccc4Cl)ccc1c23 217461996 IECUMTSOGYRDKU-UHFFFAOYSA-N 380.831 4.734 70 40 GJIB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)c1 217835280 DLXZLKJOTVNRLM-UHFFFAOYSA-N 396.314 4.908 70 40 GJIB COc1cc(CNC(=O)CSCc2ccc(Cl)cc2)ccc1OC(C)C 218041289 SHIGSPMPOUDPCR-UHFFFAOYSA-N 393.936 4.685 70 40 GJIB Brc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 216736240 VVTRTLDSIXJJKJ-FQEVSTJZSA-N 383.289 4.771 70 40 GJIB O=C1CS[C@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccco1 216677379 RVFZZUBADDWYPK-GOSISDBHSA-N 392.402 4.863 70 40 GJIB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(OC2CCCC2)cc1 218317254 PDLOCSWGIOPIIW-UHFFFAOYSA-N 386.451 4.760 70 40 GJIB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1 218206642 HIMJSJLKMPSHJH-UHFFFAOYSA-N 376.481 4.639 70 40 GJIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 218758108 AIQDDEHBYJLHIW-WOJBJXKFSA-N 383.488 4.580 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218678414 DRMNTLVOCJQLJN-ACJLOTCBSA-N 389.879 4.535 70 40 GJIB O=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 217631524 VCZXJFAVMOUZJI-MRXNPFEDSA-N 395.431 4.598 70 40 GJIB O=C(Oc1cc(Cl)c(S(=O)(=O)F)cc1Cl)c1ccccc1Cl 104161721 JVQANDFSSKHAAW-UHFFFAOYSA-N 383.611 4.524 70 40 GJIB CCOc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1 218087905 SGUXYCFHOKZSEH-UHFFFAOYSA-N 377.937 4.970 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccc(C)cc1 218141201 RTSJEVQLSLBEFI-DNVCBOLYSA-N 385.529 4.903 70 40 GJIB O=C(NCc1nc(-c2cccs2)no1)c1cc2c(ccc3ccccc32)o1 218501547 TXHNSQCCCUEUJY-UHFFFAOYSA-N 375.409 4.628 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccc(Cl)cc1 217982902 VWJPWCGJKYHHNE-QGZVFWFLSA-N 391.920 4.859 70 40 GJIB Cc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1 218107756 VHUVGPCIAQUKEU-RCCKNPSSSA-N 399.450 4.837 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 216714229 SPPFAZCZDOGTPP-LJQANCHMSA-N 385.389 4.717 70 40 GJIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 217494424 MDNDYTUUSJBBSC-GOSISDBHSA-N 395.453 4.775 70 40 GJIB Cc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 218738755 MVFLLRHDHJZSJX-UHFFFAOYSA-N 399.878 4.516 70 40 GJIB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](Nc1nc(N4CCOCC4)nc4ccccc14)(C3)C2 217952866 NEQKRQNJWVQPQG-XSAWPFNUSA-N 392.547 4.627 70 40 GJIB CC(C)Sc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217037009 QKGIFKAXFSTLTJ-UHFFFAOYSA-N 384.545 4.912 70 40 GJIB Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217802559 VYZAQXUISZKALJ-INIZCTEOSA-N 394.450 4.671 70 40 GJIB COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218741424 SMRDNDJEZANLDB-FQEVSTJZSA-N 383.488 4.581 70 40 GJIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 218755990 DJTAYBAGSVSCGH-JOCHJYFZSA-N 389.451 4.722 70 40 GJIB COc1cc(CNC(=O)CSCc2ccccc2Cl)ccc1OC(C)C 218027482 GRRXZADNNYMFMD-UHFFFAOYSA-N 393.936 4.685 70 40 GJIB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218045115 YJZOCFHTRMFJDP-KRWDZBQOSA-N 393.936 4.858 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 218678100 RXWPRCXVFYYGIX-ACJLOTCBSA-N 389.879 4.535 70 40 GJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1 216733431 PIDYTFHFHZRHAV-LJQANCHMSA-N 387.252 4.914 70 40 GJIB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 218674850 BNUJTANZJFCPSX-MRXNPFEDSA-N 375.896 4.644 70 40 GJIB COc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl 218153386 GIOHZSPJKLEKDA-UHFFFAOYSA-N 398.355 4.984 70 40 GJIB CCCOc1ccccc1CCCNC(=O)c1ccccc1Br 218221241 MNUBVOPGMACJCD-UHFFFAOYSA-N 376.294 4.601 70 40 GJIB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)c1 218543385 KBRXBZFETLLLLT-UHFFFAOYSA-N 391.515 4.934 70 40 GJIB C[C@@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2s1 217504136 OUOOBZHXUAHECK-GOSISDBHSA-N 379.403 4.558 70 40 GJIB CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(C)cc1C 218214848 HOYMLMMTBXLHHX-QGZVFWFLSA-N 393.268 4.789 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccc(C)cc1 218732110 CRLXOGQYZORITL-HXUWFJFHSA-N 383.488 4.581 70 40 GJIB CC(C)c1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 217031587 VUKJEZMMOQEUAF-UHFFFAOYSA-N 394.559 4.532 70 40 GJIB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 217995026 VJCMTYXLIMEMEJ-CYBMUJFWSA-N 387.892 4.529 70 40 GJIB CCOc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1OCC 218034429 JKWCWTAAPAFNRU-UHFFFAOYSA-N 393.936 4.687 70 40 GJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccc(C)cc1 218152333 BAOWGNDSLAXXCC-UHFFFAOYSA-N 387.530 4.637 70 40 GJIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218713020 QPLBJCLWZAHSDN-DLBZAZTESA-N 375.896 4.616 70 40 GJIB COc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218115362 BVKFYLAVXAIYST-IBGZPJMESA-N 385.529 4.655 70 40 GJIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(Br)c2)c1 216721592 DKHMCAZGUMJQPF-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(-c2cccs2)on1 217286647 KEULMGYXXCRTGJ-UHFFFAOYSA-N 384.442 4.644 70 40 GJIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 217905321 HEHGLRSRMBILSZ-MQSIBISMSA-N 380.271 4.599 70 40 GJIB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 218166507 MXFLVAHFJUWTHO-JOCHJYFZSA-N 393.508 4.638 70 40 GJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216732379 IAAGXOKXGACVDS-IBGZPJMESA-N 387.252 4.914 70 40 GJIB Cc1csc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)c1 217830749 QHLVUQPMYILNMU-INIZCTEOSA-N 381.501 4.510 70 40 GJIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC[C@H](c2ccccc2)C1 217491030 IMFUAOUUFKBANN-IBGZPJMESA-N 377.463 4.636 70 40 GJIB CCOc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1OCC 218085979 MMGDWZZANMGLCZ-UHFFFAOYSA-N 393.936 4.936 70 40 GJIB COc1cc(CNC(=O)CSCc2cccc(Cl)c2)ccc1OC(C)C 218034535 KRSYOUUZMYNRSI-UHFFFAOYSA-N 393.936 4.685 70 40 GJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1 216733472 PIDYTFHFHZRHAV-IBGZPJMESA-N 387.252 4.914 70 40 GJIB CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218738066 ZTLCHNAEUPPUOG-SFHVURJKSA-N 391.895 4.784 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 218108442 AHBFTVJOQRCRIW-GHRIWEEISA-N 391.452 4.590 70 40 GJIB Cc1cccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc54)o3)n2)c1 218500834 JJPRVTDIPHGFOL-UHFFFAOYSA-N 383.407 4.874 70 40 GJIB CC1(C)C[C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 217835661 RBDYOBLPMBCWIN-HNNXBMFYSA-N 380.271 4.791 70 40 GJIB Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218734133 WPNIGXCAGMSEEL-UHFFFAOYSA-N 399.878 4.516 70 40 GJIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 218758152 AIQDDEHBYJLHIW-UXHICEINSA-N 383.488 4.580 70 40 GJIB Brc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 216735272 ZBTKLIWLMFEJCP-FQEVSTJZSA-N 383.289 4.771 70 40 GJIB O=C(Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl)c1ccccc1Cl 104161820 UDHAUPWFFYZFRK-UHFFFAOYSA-N 383.611 4.524 70 40 GJIB COc1ccc(N(C)C(=O)c2csc(-c3ccccc3F)n2)cc1Cl 160238823 ZZQCLCRFEGQNQY-UHFFFAOYSA-N 376.840 4.888 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2 218017166 DRGFDZJQPHCQGA-IBGZPJMESA-N 385.529 4.655 70 40 GJIB COc1cccc(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)[nH]n2)c1 217491471 DIIFVCLMJAEHNT-GOSISDBHSA-N 393.462 4.634 70 40 GJIB O=[N+]([O-])c1ccc(/C=C/c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 104170900 RHLJDUVYNMTAGH-OWOJBTEDSA-N 376.192 4.730 70 40 GJIB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 217954569 DYCKXQJKAOPLBA-ZZKIFARHSA-N 399.556 4.668 70 40 GJIB CCOc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1OCC 218734844 PMHCDICEXVAACM-UHFFFAOYSA-N 391.895 4.613 70 40 GJIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218713102 QPLBJCLWZAHSDN-SJORKVTESA-N 375.896 4.616 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)SCc1ccccc1)CC(C)(C)O2 218070764 FPTYWTNMBUHPPL-DNVCBOLYSA-N 385.529 4.736 70 40 GJIB COc1ccc(/C=C/C(=O)Nc2ccc(OC3CCCC3)cc2)c(OC)c1OC 218186479 MHKQMOROSHTRLU-OQLLNIDSSA-N 397.471 4.686 70 40 GJIB Brc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)c1 216735037 PTBKWUOHWBIVCU-FQEVSTJZSA-N 383.289 4.771 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccc(Cl)cc1 218092017 UUUCPRXPRYGPDU-UHFFFAOYSA-N 393.921 4.592 70 40 GJIB COc1cc(CNC(=O)CCSc2ccc(Cl)cc2)ccc1OC(C)C 218086089 IJHOKALFSOWBDD-UHFFFAOYSA-N 393.936 4.934 70 40 GJIB Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl 218202733 VIZOKOFQFDVFPQ-CQSZACIVSA-N 381.900 4.604 70 40 GJIB Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)Cl 95698195 WXEWWMOMSBADSR-UHFFFAOYSA-N 393.679 4.873 70 40 GJIB O=[N+]([O-])c1ccc(/C=C\c2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1 104170953 IQWROLFYJCBBQT-IWQZZHSRSA-N 376.192 4.730 70 40 GJIB COc1cc(-c2ccc(N[B-](F)(F)F)c(OC)c2)ccc1N[B-](F)(F)F 195782511 DUUYJUIUXZZSFI-UHFFFAOYSA-N 377.890 4.883 70 40 GJIB Cc1cc(S(=O)(=O)Cl)ccc1Oc1ncc(C(F)(F)F)cc1Cl 115348876 IJFVUJQFEGGTLO-UHFFFAOYSA-N 386.178 4.782 70 40 GJIB COc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)c(OC)c1OC 218191394 OJNYUAVNZTWYIM-FYWRMAATSA-N 397.515 4.598 70 40 GJIB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218045030 YJZOCFHTRMFJDP-QGZVFWFLSA-N 393.936 4.858 70 40 GJIB COc1cccc([C@H]2SCCN2C(=O)c2csc(-c3ccccc3)n2)c1 217638300 UXABURUWYWRYAT-HXUWFJFHSA-N 382.510 4.707 70 40 GJIB COc1cccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 218153475 LVSJKNFUTRZXCI-UHFFFAOYSA-N 398.355 4.984 70 40 GJIB Cc1cccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1 218107652 DKMOOBIPVVMECB-RCCKNPSSSA-N 399.450 4.837 70 40 GJIB COc1ccc(C)cc1-c1csc(NC(=O)c2c(F)ccc(OC)c2F)n1 160904602 AMCLHRWYAYBOIZ-UHFFFAOYSA-N 390.411 4.666 70 40 GJIB COC(=O)c1ccc(C(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 217641646 YFVJRHGSFUKXTM-QGZVFWFLSA-N 396.295 4.668 70 40 GJIB Nc1ccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1 104137830 APRLEKHBCGYRFS-UHFFFAOYSA-N 376.280 4.799 70 40 GJIB CC1(C)C[C@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 218036260 HIRXQWBHYFFPDB-KRWDZBQOSA-N 375.921 4.992 70 40 GJIB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1Br 218219610 OMGXGXNTRAOPTO-UHFFFAOYSA-N 384.726 4.766 70 40 GJIB CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(OC)c(OC)c1 218031815 CAQYTRSDGRGKLL-KRWDZBQOSA-N 393.936 4.858 70 40 GJIB CC1(C)C[C@@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 218036164 HIRXQWBHYFFPDB-QGZVFWFLSA-N 375.921 4.992 70 40 GJIB CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1 218042800 VSYOJMXRNQAQQN-UHFFFAOYSA-N 377.937 4.721 70 40 GJIB Cc1c(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cnn1-c1ccccc1 217649956 OZTCYRCPBRCOEU-UHFFFAOYSA-N 399.479 4.809 70 40 GJIB COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218741298 AEFZVLPIVANZDL-FQEVSTJZSA-N 383.488 4.581 70 40 GJIB O=C(CSCc1ccc(Br)cc1)NCCCc1ccc(F)cc1 218195429 QGHDWFHPUGIVGA-UHFFFAOYSA-N 396.325 4.570 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(C)cc1 218023855 ITODMMPJHAYASX-IBGZPJMESA-N 385.529 4.655 70 40 GJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(Cl)cc1 217962757 LRSGOUYSOLSXON-DHZHZOJOSA-N 388.254 4.715 70 40 GJIB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 218674735 TXGSOAYXDABVJF-HNNXBMFYSA-N 379.843 4.977 70 40 GJIB COc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 217952387 FAONWPHFTPQILH-RVDMUPIBSA-N 381.516 4.764 70 40 GJIB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 217908919 UDMNHWWAYMOTOG-VQHVLOKHSA-N 388.254 4.681 70 40 GJIB O=C1CS[C@@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccco1 216677335 RVFZZUBADDWYPK-SFHVURJKSA-N 392.402 4.863 70 40 GJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccccc1Cl 217903566 UFDJHUDASDSPDO-ZHACJKMWSA-N 388.254 4.715 70 40 GJIB CC(C)Sc1ccccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 217037067 FIHDYPHIKRFDPV-UHFFFAOYSA-N 398.572 4.590 70 40 GJIB C[C@](O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1 217504805 PXAOQXFGEVGTHA-FQEVSTJZSA-N 385.554 4.799 70 40 GJIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)Nc1cc(Cl)cc(Cl)c1 95698199 LODXPYMMDANEOV-UHFFFAOYSA-N 379.652 4.565 70 40 GJIB O=C(CCCSSc1ccccn1)Oc1c(F)c(F)c(F)c(F)c1F 575346712 XUOLKTHQEBSYOD-UHFFFAOYSA-N 395.374 4.903 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)CC(C)(C)O2 218140793 OIFRIZYNAPUEON-BEFAXECRSA-N 385.529 4.903 70 40 GJIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)c(C)c1 218188821 YBHJSBJXNCNHSB-XSSIKURBSA-N 383.488 4.610 70 40 GJIB COc1cc(CNC(=O)CCCOc2ccc(Cl)cc2)ccc1OC(C)C 218734939 UVRZWIBIGWVSEV-UHFFFAOYSA-N 391.895 4.611 70 40 GJIB O=[N+]([O-])c1ccc(/C=C\c2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1 104170942 DTNUVBPAPZLSSC-UPHRSURJSA-N 376.192 4.730 70 40 GJIB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217027153 KZZLQINWZPALKT-QHCPKHFHSA-N 396.531 4.573 70 40 GJIB O=C1CS[C@@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccco1 216677229 SDXVXQBKKGMTPD-SFHVURJKSA-N 392.402 4.863 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218712147 ABXXQCJKDAMWGH-KRWDZBQOSA-N 389.923 4.872 70 40 GJIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2ccsc2)cc1 218131431 BYJWBDPDBTXGCD-HNNXBMFYSA-N 383.542 4.518 70 40 GJIB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217024078 WTSANJQRIVGFPU-GOSISDBHSA-N 396.531 4.689 70 40 GJIB CN1CCC(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 216923178 HMDWXFYSXQCECO-UHFFFAOYSA-N 393.531 4.517 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218678483 DRMNTLVOCJQLJN-FZKQIMNGSA-N 389.879 4.535 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1 218678539 DRMNTLVOCJQLJN-UGSOOPFHSA-N 389.879 4.535 70 40 GJIB Cc1cccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)c1 218542488 OMFQVKFSPQUGAS-UHFFFAOYSA-N 377.488 4.592 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccc(C)cc1 218732043 CRLXOGQYZORITL-FQEVSTJZSA-N 383.488 4.581 70 40 GJIB Cc1csc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)c1 217830814 QHLVUQPMYILNMU-MRXNPFEDSA-N 381.501 4.510 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218665392 GUNLUAJNKUZYDS-GOSISDBHSA-N 383.532 4.899 70 40 GJIB Cn1nc(CN(Cc2ccco2)C(=O)CCSc2ccccc2)cc1C1CC1 217896098 MRRDVADYXPUTSU-UHFFFAOYSA-N 395.528 4.602 70 40 GJIB O=C1CS[C@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccco1 216677274 SDXVXQBKKGMTPD-GOSISDBHSA-N 392.402 4.863 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2 218017251 DRGFDZJQPHCQGA-LJQANCHMSA-N 385.529 4.655 70 40 GJIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 218712727 QNLBYIGJIFEFDC-SJORKVTESA-N 375.896 4.616 70 40 GJIB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217027113 KZZLQINWZPALKT-HSZRJFAPSA-N 396.531 4.573 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2c(ccc3ccccc32)o1 218502487 OANPZBHZYYBHDE-UHFFFAOYSA-N 389.436 4.970 70 40 GJIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/c1ccco1 100474031 OKCXQYHUUSZDIP-VHEBQXMUSA-N 396.426 4.658 70 40 GJIB C[C@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2s1 217523732 LNIIWLRANWZYFW-SFHVURJKSA-N 394.418 4.949 70 40 GJIB CC[C@H](NC(=O)c1ccccc1I)c1ccc(C)c(C)c1 218218245 MMGAPTMDRDVVLY-KRWDZBQOSA-N 393.268 4.789 70 40 GJIB CCOc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 216675148 MNSDKCHNFCSDFH-JOCHJYFZSA-N 378.497 4.650 70 40 GJIB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 218202905 DOVZJRYTADHVMX-CQSZACIVSA-N 381.900 4.604 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218712076 ABXXQCJKDAMWGH-QGZVFWFLSA-N 389.923 4.872 70 40 GJIB C[C@](O)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 217991721 OEBACWBIYHXWTP-SANMLTNESA-N 399.490 4.979 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 218678244 RXWPRCXVFYYGIX-UGSOOPFHSA-N 389.879 4.535 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1 218544073 NQTLYYOCDGHHHF-UHFFFAOYSA-N 383.517 4.687 70 40 GJIB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 217996802 UGKVTUWHQUSPHJ-INIZCTEOSA-N 388.964 4.780 70 40 GJIB COc1ccc(-c2ccc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)Cl 100918217 ZDBKWSJSVINPHU-UHFFFAOYSA-N 385.190 4.962 70 40 GJIB CC[C@@H](NC(=O)c1ccccc1I)c1ccc(C)cc1C 218218346 VDEFEBYBKWAKHG-QGZVFWFLSA-N 393.268 4.789 70 40 GJIB CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C)c(C)c1 218214738 DUTSGTUWYDASSO-KRWDZBQOSA-N 393.268 4.789 70 40 GJIB CCOc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1 218036366 JQKMWMNGXQPNOL-UHFFFAOYSA-N 377.937 4.721 70 40 GJIB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 217989235 VCKBPKGWCVRICU-AWEZNQCLSA-N 393.936 4.587 70 40 GJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 218672711 YTXNDITZTJBLKB-LJQANCHMSA-N 394.559 4.711 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1 218678601 DRMNTLVOCJQLJN-SCLBCKFNSA-N 389.879 4.535 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)CC(C)(C)O2 218140874 OIFRIZYNAPUEON-DNVCBOLYSA-N 385.529 4.903 70 40 GJIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 218757916 KCFPYOHZBQEPJA-WOJBJXKFSA-N 383.488 4.580 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 216714181 SPPFAZCZDOGTPP-IBGZPJMESA-N 385.389 4.717 70 40 GJIB CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCCc3ccccc32)cc1 217956694 SLYFUSLHFMJZTD-DTQAZKPQSA-N 376.544 4.956 70 40 GJIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 218712820 QNLBYIGJIFEFDC-IRXDYDNUSA-N 375.896 4.616 70 40 GJIB CCOc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 218736283 ZLGBSJWPTVIUNI-UHFFFAOYSA-N 375.896 4.647 70 40 GJIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(Br)c2)c1 216721533 DKHMCAZGUMJQPF-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB C[C@@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2s1 217523663 LNIIWLRANWZYFW-GOSISDBHSA-N 394.418 4.949 70 40 GJIB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 217983459 LSEMKQBCRHTOTJ-INIZCTEOSA-N 379.909 4.717 70 40 GJIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2Br)c1 216722651 WTAIRUYYKVBZHI-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB CCOc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218103795 ZURYQGPBUYQKDW-PTGBLXJZSA-N 375.468 4.968 70 40 GJIB O=C(c1ccc2nsnc2c1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 217631595 VCZXJFAVMOUZJI-INIZCTEOSA-N 395.431 4.598 70 40 GJIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 218712573 QNLBYIGJIFEFDC-IAGOWNOFSA-N 375.896 4.616 70 40 GJIB CC(C)c1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 217031530 SMOIJYYVELBZNI-UHFFFAOYSA-N 380.532 4.854 70 40 GJIB Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217802483 VYZAQXUISZKALJ-MRXNPFEDSA-N 394.450 4.671 70 40 GJIB O=C(Cc1ccccc1Cl)NCCn1nc(-c2ccsc2)cc1C1CC1 217878267 QQZFNQYZLOFQSA-UHFFFAOYSA-N 385.920 4.501 70 40 GJIB Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 217491581 WCGULSUXGUGYGB-IBGZPJMESA-N 377.463 4.636 70 40 GJIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(Br)cc2)c1 216721773 ZPJPMXCQTBKKHQ-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)SCc1ccccc1 218071013 DVIDIYXXEFBNPZ-BEFAXECRSA-N 385.529 4.736 70 40 GJIB COc1cc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)ccc1OC(C)C 218101766 UJGBLLQRSLTUHA-RCCKNPSSSA-N 391.467 4.932 70 40 GJIB CCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 110167071 BUTNJQAVSZMCLV-UHFFFAOYSA-N 381.325 4.702 70 40 GJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)n1 217832697 DIMHBUIAPIDXBU-MRXNPFEDSA-N 394.450 4.671 70 40 GJIB CCOc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OCC 218101643 NLPYZAVFIVQUNF-LTGZKZEYSA-N 391.467 4.934 70 40 GJIB CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(C)c(C)c1 218214665 DUTSGTUWYDASSO-QGZVFWFLSA-N 393.268 4.789 70 40 GJIB O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)c1ccc(Cl)cc1 110167076 ATHONTGNGAJFCZ-UHFFFAOYSA-N 380.252 4.673 70 40 GJIB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCN1CCCc2ccccc21 217910268 OAUKQNFRUALILF-PKNBQFBNSA-N 389.326 4.966 70 40 GJIB Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 217908794 RDLGTTZTSBTRAF-SOFGYWHQSA-N 388.254 4.681 70 40 GJIB COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218741246 AEFZVLPIVANZDL-HXUWFJFHSA-N 383.488 4.581 70 40 GJIB CCOc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)c1 216675263 JEYKZPWMZHFSRE-JOCHJYFZSA-N 378.497 4.650 70 40 GJIB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 218675985 IXTSVCYZBQWGQF-INIZCTEOSA-N 375.896 4.645 70 40 GJIB CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl 217909926 AVIMBGBNABYZNG-FNORWQNLSA-N 394.283 4.777 70 40 GJIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)Nc1c(F)cccc1F 217880758 QBFZVXDXRCTALK-UHFFFAOYSA-N 388.443 4.589 70 40 GJIB CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218542961 QVGRHHQZSBUMDL-UHFFFAOYSA-N 397.906 4.937 70 40 GJIB Cn1nc(CN(C(=O)/C=C/c2ccccc2Cl)C2CCCC2)c2c1CCC2 217908249 FFJSXNUFEAOCTQ-BUHFOSPRSA-N 383.923 4.547 70 40 GJIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218713187 QPLBJCLWZAHSDN-IRXDYDNUSA-N 375.896 4.616 70 40 GJIB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 218166584 MXFLVAHFJUWTHO-QFIPXVFZSA-N 393.508 4.638 70 40 GJIB COc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 218498233 PGJMRQQEKPEIDX-UHFFFAOYSA-N 389.451 4.966 70 40 GJIB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1C 218189101 VJWICAJQJXPMJT-QHSLDKKCSA-N 383.488 4.610 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 218678315 RXWPRCXVFYYGIX-SCLBCKFNSA-N 389.879 4.535 70 40 GJIB CCCCOc1ccc(NC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 218004844 UEAFZGFNZLFLTH-JOCHJYFZSA-N 382.460 4.641 70 40 GJIB CCOc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 216674325 HDZWFGNOTDOYFW-QFIPXVFZSA-N 378.497 4.650 70 40 GJIB CC(C)c1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 218322013 WCPDIISEVUGNOT-UHFFFAOYSA-N 386.495 4.672 70 40 GJIB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 218756036 DJTAYBAGSVSCGH-QFIPXVFZSA-N 389.451 4.722 70 40 GJIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC[C@@H](c2ccccc2)C1 217491105 IMFUAOUUFKBANN-LJQANCHMSA-N 377.463 4.636 70 40 GJIB Cn1nc(CN(C(=O)c2c(F)cccc2Cl)C2CCCC2)cc1C1CC1 217898812 OCMGTELGROOBKQ-UHFFFAOYSA-N 375.875 4.675 70 40 GJIB O=S(=O)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F 103645489 PLICTRYCJYQADS-UHFFFAOYSA-N 392.398 4.845 70 40 GJIB CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218543072 QFCXBOXMHCDCTR-UHFFFAOYSA-N 397.906 4.937 70 40 GJIB CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OCC 217985692 FVMYYGKIENIYPK-CQSZACIVSA-N 393.936 4.934 70 40 GJIB CC1(C)C[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 217835589 RBDYOBLPMBCWIN-OAHLLOKOSA-N 380.271 4.791 70 40 GJIB Cc1nccn1-c1ccc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1F 161156949 YHYGIFQHSBLPMA-UHFFFAOYSA-N 393.393 4.649 70 40 GJIB COC(=O)c1c(C)n(C(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc12 216722678 RQDQORHZHQYURQ-UHFFFAOYSA-N 379.456 4.753 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccc(C)cc1)CC(C)(C)O2 218149693 AYXLUIHZNVJHSL-LJQANCHMSA-N 385.529 4.904 70 40 GJIB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218113456 KWVRMAYDXQASPX-UHFFFAOYSA-N 391.492 4.798 70 40 GJIB COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2csc(C)n2)[nH]n1 218597136 JBWQLQKDHFSYNH-UHFFFAOYSA-N 390.468 4.770 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccc(C)cc1)CC(C)(C)O2 218731950 NYWTWVMVRIEQLT-HXUWFJFHSA-N 383.488 4.581 70 40 GJIB CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 217988865 PFBNEJVFLANONA-HNNXBMFYSA-N 377.937 4.968 70 40 GJIB COc1cc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OC(C)C 217985945 GTLZGMIYCRKEGH-AWEZNQCLSA-N 393.936 4.933 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc(C)cc1 218141127 RTSJEVQLSLBEFI-BEFAXECRSA-N 385.529 4.903 70 40 GJIB O=C(CCSc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 218092470 QWCQITMRRLSRHQ-UHFFFAOYSA-N 388.964 4.781 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(C)cc1 218023938 ITODMMPJHAYASX-LJQANCHMSA-N 385.529 4.655 70 40 GJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216732568 FHCXAAASHZYQRP-LJQANCHMSA-N 387.252 4.914 70 40 GJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)n1 217827585 RRONGPWAPNJIFL-MRXNPFEDSA-N 395.890 4.793 70 40 GJIB COc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc54)o3)n2)cc1 218501124 DKIJPXRGUXNHND-UHFFFAOYSA-N 399.406 4.575 70 40 GJIB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 218678176 RXWPRCXVFYYGIX-FZKQIMNGSA-N 389.879 4.535 70 40 GJIB O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl 104161745 GRKLKFAATQFBRC-UHFFFAOYSA-N 398.626 4.916 70 40 GJIB O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1 104170957 IQWROLFYJCBBQT-HNQUOIGGSA-N 376.192 4.730 70 40 GJIB CC(C)Oc1cccc(CCCNC(=O)CSc2ccc(Cl)cc2)c1 217980873 KBGZDEUGILPLIH-UHFFFAOYSA-N 377.937 4.968 70 40 GJIB COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218741374 SMRDNDJEZANLDB-HXUWFJFHSA-N 383.488 4.581 70 40 GJIB Cc1cc(C)cc(CSCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 216928657 OJKWZJGOGJAEBT-UHFFFAOYSA-N 398.572 4.648 70 40 GJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCSc1ccc(Cl)cc1 218091314 LRAKFSFDOCCINF-UHFFFAOYSA-N 387.892 4.531 70 40 GJIB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)CC(C)(C)O2 218140950 OIFRIZYNAPUEON-KXBFYZLASA-N 385.529 4.903 70 40 GJIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1C 218189011 VJWICAJQJXPMJT-YFPIXMDGSA-N 383.488 4.610 70 40 GJIB Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccccc1SC(F)F 217874781 OJVHBPYMHHBCIH-UHFFFAOYSA-N 393.484 4.665 70 40 GJIB Cc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 218153838 ZQCBBQDZFXHPKY-UHFFFAOYSA-N 384.328 4.730 70 40 GJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216732334 IAAGXOKXGACVDS-LJQANCHMSA-N 387.252 4.914 70 40 GJIB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 218675114 QSDLTMGMTQVMBD-INIZCTEOSA-N 375.896 4.644 70 40 GJIB COc1cc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OC(C)C 218662603 HUBXJICXXWTNLM-KRWDZBQOSA-N 399.531 4.864 70 40 GJIB CCCCOc1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217818582 AOSHDLDNTOOTAJ-INIZCTEOSA-N 398.507 4.613 70 40 GJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Nc3cccs3)C2)n1 217832873 KXVYUOIQDOBUKT-OAHLLOKOSA-N 382.489 4.593 70 40 GJIB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217028094 JSLQOWMHZRVBNV-JOCHJYFZSA-N 396.531 4.573 70 40 GJIB CN(CCCNC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 218158000 SXLRJGBMUQVOCX-UHFFFAOYSA-N 397.371 4.869 70 40 GJIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 218758189 AIQDDEHBYJLHIW-VQTJNVASSA-N 383.488 4.580 70 40 GJIB CCOc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 217835806 BJENGKSYTFHLPN-UHFFFAOYSA-N 382.287 4.520 70 40 GJIB Cc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc54)o3)n2)cc1 218500935 MHRLLFDXKVFGCS-UHFFFAOYSA-N 383.407 4.874 70 40 GJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)n1 217832604 DIMHBUIAPIDXBU-INIZCTEOSA-N 394.450 4.671 70 40 GJIB COc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 217906415 MRSKCNQXJMEFOS-JXMROGBWSA-N 394.298 4.773 70 40 GJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(Cl)cc1 217962876 YTLQFDPJPBBNPJ-NYYWCZLTSA-N 388.254 4.715 70 40 GJIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218712934 QPLBJCLWZAHSDN-IAGOWNOFSA-N 375.896 4.616 70 40 GJIB Brc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 216735319 ZBTKLIWLMFEJCP-HXUWFJFHSA-N 383.289 4.771 70 40 GJIB Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218734222 BIJNJOJZYFYFEU-UHFFFAOYSA-N 399.878 4.516 70 40 GJIB CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 216675098 MNSDKCHNFCSDFH-QFIPXVFZSA-N 378.497 4.650 70 40 GJIB C[C@@](O)(CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2s1 217504727 PXAOQXFGEVGTHA-HXUWFJFHSA-N 385.554 4.799 70 40 GJIB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 218543480 VZMXZIPUOUTKAE-UHFFFAOYSA-N 391.515 4.934 70 40 GJIB CCOc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)c1 216675215 JEYKZPWMZHFSRE-QFIPXVFZSA-N 378.497 4.650 70 40 GJIB COc1ccc(OC[C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 218497071 HFUCZWGOWQIXRK-HNNXBMFYSA-N 375.424 4.792 70 40 GJIB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218675913 IXTSVCYZBQWGQF-MRXNPFEDSA-N 375.896 4.645 70 40 GJIB O=[N+]([O-])c1ccc(/C=C\c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 104170898 RHLJDUVYNMTAGH-UPHRSURJSA-N 376.192 4.730 70 40 GJIB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 217954952 YRVKWHBLIFLGKM-NTEUORMPSA-N 375.472 4.672 70 40 GJIB CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 218038782 QGJHRGVOWARSOM-KRWDZBQOSA-N 393.936 4.858 70 40 GJIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)c1 216724208 LSMSIGXFZFFCMZ-HXUWFJFHSA-N 399.288 4.784 70 40 GJIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(Br)cc2)c1 216721824 ZPJPMXCQTBKKHQ-FQEVSTJZSA-N 399.288 4.784 70 40 GJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)SCc1ccccc1 218071238 DVIDIYXXEFBNPZ-HNAYVOBHSA-N 385.529 4.736 70 40 GJIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216714300 PWCZIPCXFMXVDN-IBGZPJMESA-N 385.389 4.717 70 40 GJIB