smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1 216628013 MBZFNAYTHHMQGM-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)cc1OC 216898016 OVAUWTCGKFAIHV-UHFFFAOYSA-N 502.308 4.813 70 10 KJIE CC(C)(C)OC(=O)C(I)=P(c1ccccc1)(c1ccccc1)c1ccccc1 213908872 DRRQHVUUJZVUKX-UHFFFAOYSA-N 502.332 4.887 70 10 KJIE O=S(=O)(F)c1cc(Br)cc(Cl)c1OC[C@@H]1CC1(Br)Br 2224804790 HXLRFDFPXOUGNS-YFKPBYRVSA-N 501.393 4.646 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887510637 NOASXLOFFMGWQS-UHFFFAOYSA-N 522.305 4.990 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1 216627795 UCUKWJYJBHQKRZ-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2124731859 WVEBPDCLJDYMDF-FYSMJZIKSA-N 511.575 4.632 70 10 KJIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CC[C@H](COCc2ccccc2)C1 2100127173 OMNSYVBSBRMIAN-FQEVSTJZSA-N 506.045 4.934 70 10 KJIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCS(=O)(=O)F)c1I 1952567625 OWGFKNFJZPLNIX-UHFFFAOYSA-N 681.043 4.689 70 10 KJIE Cc1c(C(=O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887522047 YOAOVZRFZJJXHH-UHFFFAOYSA-N 509.313 4.819 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1 216652626 QIYPYFWRZRCTID-UHFFFAOYSA-N 543.576 4.799 70 10 KJIE CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1 217373408 WBQKVTIXIWJOTC-YPMIVSHASA-N 538.094 4.834 70 10 KJIE Cc1c(CN2CCNCC2)cc(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521303 XXPZTHXTVYPRBH-UHFFFAOYSA-N 539.629 4.663 70 10 KJIE N#CC(C1=NC(=O)/C(=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102945798 IBMZALMVYTTZJH-DQSJHHFOSA-N 574.558 4.620 70 10 KJIE CN(C)[C@@H](COc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O 118735810 NFRVEIQEIXNLJP-WIMJCMMXSA-N 596.076 4.765 70 10 KJIE C#Cc1cc(OS(=O)(=O)F)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887521757 PXIVXWZUSMGMOU-UHFFFAOYSA-N 534.609 4.636 70 10 KJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N(Cc1ccccc1)Cc1ccccc1 217306553 KLAZYBYIXHXHPL-UHFFFAOYSA-N 506.400 4.847 70 10 KJIE Cc1c(CN2CCNCC2)cc(S(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521522 WVVSJORULXQRDB-UHFFFAOYSA-N 523.630 4.728 70 10 KJIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OCc2ccccc2)c1 217910242 SVGZZXOVTKYWCT-VWNXMTODSA-N 507.558 4.567 70 10 KJIE Cc1c(S)cc(OS(=O)(=O)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522389 YWGRFNVYZBTYAZ-UHFFFAOYSA-N 542.654 4.944 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cc1 216679146 WRYWJETTWGWPBC-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814058 FRISGGIMPIFHGZ-VOITZZMQSA-N 837.700 4.683 70 10 KJIE CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 118847556 ICRMMBALCITSNW-UHFFFAOYSA-N 507.843 4.707 70 10 KJIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCOc3ccc(Br)cc3Cl)CC2)cc1OC 216871701 BSGLPSIBTZHWGR-UHFFFAOYSA-N 553.881 4.947 70 10 KJIE O=S(=O)(Cl)C[C@@H](c1cc(I)cc(I)c1I)C1CC1 1952077071 VIUPKIOYHKLMQS-SECBINFHSA-N 622.431 4.563 70 10 KJIE O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 2049382449 QONGBRUOEUCRRJ-UHFFFAOYSA-N 630.566 4.554 70 10 KJIE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1S(=O)(=O)F 1887521390 IUNGMPCSOWXLJB-UHFFFAOYSA-N 523.630 4.728 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 216653542 ZKCJHWKJYJPPLB-RDPSFJRHSA-N 529.593 4.700 70 10 KJIE C#Cc1cc(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887521157 VDNUBDUSZGCCJG-UHFFFAOYSA-N 518.610 4.847 70 10 KJIE Cc1c(CS(=O)(=O)Cl)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521432 MKDSEZSZOODTAO-UHFFFAOYSA-N 609.097 4.728 70 10 KJIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2269525195 FBOYSGQNTUNQJQ-QHCPKHFHSA-N 511.575 4.632 70 10 KJIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOc3ccc(C(C)(C)C)cc3Br)CC2)cc1 217298802 YSELZMAHXJSJHY-UHFFFAOYSA-N 552.535 4.540 70 10 KJIE C#Cc1cc(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887577970 HUJGUVALHOWCMY-UHFFFAOYSA-N 504.583 4.538 70 10 KJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217306489 FOHYAFLIIFWDQU-UHFFFAOYSA-N 504.690 4.929 70 10 KJIE CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CC1(Br)Br 2233038874 LBHQUDAMVQIBMD-QMMMGPOBSA-N 511.457 4.824 70 10 KJIE N#CC(C1=NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102945809 NAVBBZDVQNGKCW-DQSJHHFOSA-N 529.561 4.712 70 10 KJIE COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 159455420 UXRNFMNZPLJTNZ-PLRJNAJWSA-N 671.772 4.746 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2)cc1 216626742 DXCSVCCUZPBPQF-UHFFFAOYSA-N 543.576 4.799 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1 216627839 UCUKWJYJBHQKRZ-YKSBVNFPSA-N 529.593 4.700 70 10 KJIE C#CCc1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887505910 ALPDHPAZQCLGID-UHFFFAOYSA-N 520.582 4.527 70 10 KJIE COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(Cl)cc6)C(=O)[C@H]45)[C@H]23)cc1 217372273 WXYLWLJAXWRNRI-SUZJGXHKSA-N 525.051 4.776 70 10 KJIE Cc1c(CC(=O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887520232 NAYKXZDTZXHKMR-UHFFFAOYSA-N 523.340 4.748 70 10 KJIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 217298749 UQVUEYMFWPELKX-UHFFFAOYSA-N 532.479 4.772 70 10 KJIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1ccc(I)cc1 115900945 IJPPAZOOGKFASS-UHFFFAOYSA-N 501.567 4.869 70 10 KJIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCS(=O)(=O)Cl)c1I 1952557384 OEJKIMQTRGDMBO-UHFFFAOYSA-N 697.498 4.959 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(OC)c(OC)c2)cc1 216661307 XYLBKPZLSXQXEN-UHFFFAOYSA-N 506.555 4.740 70 10 KJIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2269536462 FBOYSGQNTUNQJQ-QHCPKHFHSA-N 511.575 4.632 70 10 KJIE CC[C@H](C)O[C@@]1(O[C@H](C)CC)CC(O[C@H](C)CC)(O[C@H](C)CC)[C@@H]([SiH2]O[SiH2]O[SiH3])[C@](O[C@@H](C)CC)(O[C@H](C)CC)C1 1933295801 ZNXAVNAVFNOCBA-IETNLNFHSA-N 639.108 4.944 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B2OC(C)(C)C(C)(C)O2)cc1OS(=O)(=O)F 1887577546 NLVUPNOBAWYOCA-UHFFFAOYSA-N 567.444 4.926 70 10 KJIE Cc1c(CS(=O)(=O)Cl)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521524 XDSZZLCXHOEWRB-UHFFFAOYSA-N 609.097 4.728 70 10 KJIE Cc1c(OS(=O)(=O)F)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B1OC(C)(C)C(C)(C)O1 1887522164 HNCTVNRVOJSUSU-UHFFFAOYSA-N 636.551 4.954 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cc1 216679193 WRYWJETTWGWPBC-YKSBVNFPSA-N 529.593 4.700 70 10 KJIE C#Cc1cc(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887520914 LVZNFELRLXAOMX-UHFFFAOYSA-N 518.610 4.847 70 10 KJIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c1 1887521153 UYSBBJATDRLINR-UHFFFAOYSA-N 518.610 4.701 70 10 KJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@@H]1CC1(Br)Br 2224802628 CMSFBHFPLJGPDW-YFKPBYRVSA-N 517.848 4.915 70 10 KJIE Cc1c(N)c(C)c(OS(=O)(=O)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515748 OUCWNKTYWIYWHI-UHFFFAOYSA-N 553.656 4.854 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1N 1887521476 RNQNVSYOXPOGOO-UHFFFAOYSA-N 523.630 4.611 70 10 KJIE O=S(=O)(Cl)C[C@@H](COc1c(Br)cc(Br)cc1Br)C1CC1 701865252 IDRBGKODGVRZQM-MRVPVSSYSA-N 511.457 4.948 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c2)cc1 216678116 ZZWUIKXQRVFWRF-UHFFFAOYSA-N 543.576 4.799 70 10 KJIE O=C(c1cc(I)cc(I)c1I)N1CCC[C@@H]([B-](F)(F)F)C1 2190458104 HYGUMVKMIOYQQZ-SSDOTTSWSA-N 633.744 4.954 70 10 KJIE C#CCc1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887521546 AFHSTDCBVPTWCY-UHFFFAOYSA-N 534.609 4.835 70 10 KJIE CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@H]45)[C@H]23)ccc1O 217370230 JQOXHEJSWIVUOJ-HYNNBGNNSA-N 534.659 4.527 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 216653637 ZKCJHWKJYJPPLB-YKSBVNFPSA-N 529.593 4.700 70 10 KJIE CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CC1(Br)Br 2233038871 LBHQUDAMVQIBMD-MRVPVSSYSA-N 511.457 4.824 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1 216627966 MBZFNAYTHHMQGM-RDPSFJRHSA-N 529.593 4.700 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 216653760 FYEQUUCTMNHNFF-RDPSFJRHSA-N 529.593 4.700 70 10 KJIE C=C1C[C@H](CCCOC(=O)C(C)(C)C)O[C@H]1CC[C@H](C[C@@H](C)C(=C)OS(=O)(=O)C(F)(F)F)OS(C)(=O)=O 201108479 MALAYUJHZQAWCZ-NMLACTOBSA-N 578.668 4.601 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1[B-](F)(F)F 1887520212 KBUOYCGGXULNLY-UHFFFAOYSA-N 522.305 4.990 70 10 KJIE O=C(NC1CC(COCc2ccccc2)C1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2100135072 SCOAQMJLGQAEQD-UHFFFAOYSA-N 506.045 4.980 70 10 KJIE C#Cc1cc(S(=O)(=O)F)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887520877 JLBOFTYPGZOQCT-UHFFFAOYSA-N 518.610 4.701 70 10 KJIE C#CCc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1C 1887521733 NVEYYAUDDSAYFD-UHFFFAOYSA-N 534.609 4.835 70 10 KJIE CC1(C)OB(c2cc(CN3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cc(S(=O)(=O)F)c2)OC1(C)C 1887577537 BGLDKKGUSJDFLF-UHFFFAOYSA-N 606.525 4.711 70 10 KJIE CC1(C)OB(c2cc(CS(=O)(=O)F)cc(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)c2)OC1(C)C 1887505998 DTNSAZKOCLIYKO-UHFFFAOYSA-N 606.525 4.856 70 10 KJIE CC(=O)OC[C@H]1O[C@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814038 FRISGGIMPIFHGZ-NBCGUXLGSA-N 837.700 4.683 70 10 KJIE Cc1c(N)c(C)c(S(=O)(=O)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887579203 DCGJTHRMBSUUKI-UHFFFAOYSA-N 537.657 4.919 70 10 KJIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2124731862 WVEBPDCLJDYMDF-VOIUYBSRSA-N 511.575 4.632 70 10 KJIE O=C(c1cc(I)cc(I)c1I)N1CC[C@@H]([B-](F)(F)F)C1 2342485520 MGZKBFUQTQKTMG-ZCFIWIBFSA-N 619.717 4.564 70 10 KJIE COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCC(N)=O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 101402312 AZZBSJXKKNNQKC-INIZCTEOSA-N 534.437 4.760 70 10 KJIE Cc1c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(C(=O)O)cc1[B-](F)(F)F 1887505452 GYLJXWLEOGJPDK-UHFFFAOYSA-N 509.313 4.819 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 216653583 ZKCJHWKJYJPPLB-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE Cc1c(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B1OC(C)(C)C(C)(C)O1 1887520483 VCMZFHLCDDLCRZ-UHFFFAOYSA-N 567.444 4.926 70 10 KJIE CC(=O)OC[C@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037814044 FRISGGIMPIFHGZ-SCKHCGLESA-N 837.700 4.683 70 10 KJIE CC[C@H](C)OC1(O[C@@H](C)CC)C[C@](O[C@@H](C)CC)(O[C@H](C)CC)CC(O[C@H](C)CC)(O[C@H](C)CC)[C@H]1[SiH2]O[SiH2]O[SiH3] 1933295803 ZNXAVNAVFNOCBA-YMKXYDDHSA-N 639.108 4.944 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B2OC(C)(C)C(C)(C)O2)cc1OS(=O)(=O)F 1887521999 WGVQCSMZIWTNND-UHFFFAOYSA-N 636.551 4.954 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cc1 216679449 CCAQFNAETSHDDN-HYBUGGRVSA-N 529.593 4.700 70 10 KJIE O=S(=O)(F)c1cc(Br)c(OC[C@@H]2CC2(Br)Br)c(Br)c1 2224809698 VBPGWKXDFDBQKQ-YFKPBYRVSA-N 545.844 4.755 70 10 KJIE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)CN(CCCl)CCCl)C[C@@H]1C[C@H]3O 136802283 RKQIRNWTMFSHDT-DOSAJJDZSA-N 590.629 4.779 70 10 KJIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CC[C@@H](COCc2ccccc2)C1 2100127174 OMNSYVBSBRMIAN-HXUWFJFHSA-N 506.045 4.934 70 10 KJIE Cc1c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C(=O)O 1887518583 NXCXLFFAIZRTJL-UHFFFAOYSA-N 568.623 4.974 70 10 KJIE CC1(C)OB(c2cc(CNC(=O)OCC3c4ccccc4-c4ccccc43)cc(OS(=O)(=O)F)c2)OC1(C)C 1887520441 PEHIKCNIWUKLQK-UHFFFAOYSA-N 553.417 4.618 70 10 KJIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OCc2ccccc2)c1 217910170 SVGZZXOVTKYWCT-LADGPHEKSA-N 507.558 4.567 70 10 KJIE CC1(C)O[C@H]2O[C@H](COCc3ccccc3)[C@H](OC(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 60290295 UXMHHODGWRLWGA-PKHTVCQISA-N 582.633 4.788 70 10 KJIE 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KJIE O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 2070300636 GLCCNJGHFRIUAJ-UHFFFAOYSA-N 894.884 4.653 70 10 KJIE Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(OS(=O)(=O)C(F)(F)F)cc34)cc3cccnc32)cc1 117077381 CRJGLPLPXYUYGC-UHFFFAOYSA-N 549.552 4.969 70 10 KJIE C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)CN(CCCl)CCCl)C[C@@H]1C[C@H]3O 136802236 RKQIRNWTMFSHDT-YHDOEBPVSA-N 590.629 4.779 70 10 KJIE O=S(=O)(F)c1cc(Br)cc(Cl)c1OC[C@H]1CC1(Br)Br 2224804789 HXLRFDFPXOUGNS-RXMQYKEDSA-N 501.393 4.646 70 10 KJIE COc1ccc(C(=O)NC2CCN(C(=O)CCCOc3ccc(Br)cc3Cl)CC2)cc1OC 216890038 BBBAYKLTJQKERD-UHFFFAOYSA-N 539.854 4.700 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cc1 216679357 CCAQFNAETSHDDN-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE COc1ccc(C(=O)N2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3Br)CC2)cc1OC 216856291 LRNXFXDLTCINCF-UHFFFAOYSA-N 547.490 4.907 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1OS(=O)(=O)F 1887510175 HIIVPCGLMDFDAX-UHFFFAOYSA-N 606.669 4.621 70 10 KJIE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)CN(CCCl)CCCl)C[C@H]1C[C@H]3O 14088529 RKQIRNWTMFSHDT-USHJXXGYSA-N 590.629 4.779 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c2)cc1 216677617 ALHFNFVNDAMENT-UHFFFAOYSA-N 543.576 4.656 70 10 KJIE Cc1c(CN2CCNCC2)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515717 LNSTVGJVJOWMOF-UHFFFAOYSA-N 553.656 4.971 70 10 KJIE CCOC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)=P(N=S(C)(C)=O)(c1ccccc1)c1ccccc1 263626284 ISZOHZKOGFUKFX-UHFFFAOYSA-N 512.528 4.683 70 10 KJIE COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](CCC(N)=O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 1616057374 AZZBSJXKKNNQKC-MRXNPFEDSA-N 534.437 4.760 70 10 KJIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2CC2(Br)Br)c(Br)c1 2224809695 VBPGWKXDFDBQKQ-RXMQYKEDSA-N 545.844 4.755 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(OC)c(OC)c2)cc1 216661242 UPTJMNNXBCQYJA-UHFFFAOYSA-N 506.555 4.740 70 10 KJIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298602 HGHUEXNOWKPQTD-UHFFFAOYSA-N 521.408 4.910 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)cc1[B-](F)(F)F 1887521515 WDZYRTUYDHFFOK-UHFFFAOYSA-N 577.385 4.709 70 10 KJIE O=C(c1cc(I)cc(I)c1I)N1CCC[C@H]([B-](F)(F)F)C1 2190458105 HYGUMVKMIOYQQZ-ZETCQYMHSA-N 633.744 4.954 70 10 KJIE N#CC(C1=NC(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053622009 IBMZALMVYTTZJH-UHFFFAOYSA-N 574.558 4.620 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1 216627739 UCUKWJYJBHQKRZ-RDPSFJRHSA-N 529.593 4.700 70 10 KJIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(S)cc(OS(=O)(=O)F)c2)CC1 1887514776 WZIQWBAASBZVPY-UHFFFAOYSA-N 528.627 4.635 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1[B-](F)(F)F 1887521960 SADWAOPHDSZZKN-UHFFFAOYSA-N 508.278 4.681 70 10 KJIE N#CC(C1=NC(=O)C(=C2C(=O)Nc3ccccc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053622133 NAVBBZDVQNGKCW-UHFFFAOYSA-N 529.561 4.712 70 10 KJIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(CS)cc(OS(=O)(=O)F)c2)CC1 1887514609 ZTLOFBKAJHZSBP-UHFFFAOYSA-N 528.627 4.781 70 10 KJIE CN(C)[C@@H](COc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1)OC(=O)C[C@](O)(CC(=O)O)C(=O)O 118735813 NFRVEIQEIXNLJP-JUCLOHMMSA-N 596.076 4.765 70 10 KJIE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1[B-](F)(F)F 1887521243 PVRMBDVKVMNXHS-UHFFFAOYSA-N 508.373 4.888 70 10 KJIE C[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 150221885 ZNQXFYBHGDPZCZ-IUHSPWTCSA-N 539.378 4.803 70 10 KJIE in-vitro CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(OC)c(OC)c3)c2)cc1 216685580 VPHCKNXTJZHYGM-UHFFFAOYSA-N 506.555 4.740 70 10 KJIE COc1cc2c(cc1OC)[C@@H](Cc1ccc(O[Cl+3](O)(O)O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2 642880827 GLHIMYDAVKPUJH-FIRIVFDPSA-N 696.217 4.926 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 216653807 FYEQUUCTMNHNFF-GBXCKJPGSA-N 529.593 4.700 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(OC(=O)OCC)cc3)c2)cc1 216672781 RIPGYKUZSBGHLN-UHFFFAOYSA-N 506.511 4.940 70 10 KJIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2124731860 WVEBPDCLJDYMDF-GYCJOSAFSA-N 511.575 4.632 70 10 KJIE O=S(=O)(Cl)c1cc(Br)c(OCc2cncc(Br)c2)c(Br)c1 166852102 NGAKACSRHXYAPA-UHFFFAOYSA-N 520.424 4.876 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 216652142 MSHTVNQQZXOECQ-UHFFFAOYSA-N 543.576 4.656 70 10 KJIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OCc2ccccc2)c1 217910080 SVGZZXOVTKYWCT-ISKFKSNPSA-N 507.558 4.567 70 10 KJIE N#CC1=P(N2CCOCC2)(N2CCOCC2)C(c2ccc(Cl)c(Cl)c2)=CC=C1N1CCCC1 2059836294 OVXGDNYOUUUZLZ-UHFFFAOYSA-N 507.402 4.536 70 10 KJIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156382126 JMPOEKLUVLKHBN-ZEQRLZLVSA-N 501.048 4.920 70 10 KJIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC[C@H]1CC1(Br)Br 2224802627 CMSFBHFPLJGPDW-RXMQYKEDSA-N 517.848 4.915 70 10 KJIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OCc2ccccc2)c1 217910342 SVGZZXOVTKYWCT-UPVQGACJSA-N 507.558 4.567 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c2)cc1 216678072 LTXQNURHEKJGGW-UHFFFAOYSA-N 543.576 4.799 70 10 KJIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Cl)cc1C(F)(F)F 217306677 BFLMMBWQDRYZIB-UHFFFAOYSA-N 504.690 4.929 70 10 KJIE Cc1c(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521925 PRQQYSADBKWONL-UHFFFAOYSA-N 508.278 4.681 70 10 KJIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(Br)cn2)c(Br)c1 166851985 HCGSVKUCKVIRQE-UHFFFAOYSA-N 520.424 4.876 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 216653855 FYEQUUCTMNHNFF-YKSBVNFPSA-N 529.593 4.700 70 10 KJIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(I)cc(I)c2I)C1 2368428306 JTZLJPOIIZVFJF-GFCCVEGCSA-N 633.744 4.954 70 10 KJIE COc1ccc(C(=O)N2CCC(NC(=O)CCCOc3ccc(Br)cc3Cl)CC2)cc1OC 216890094 WHVOODHAHVWLBK-UHFFFAOYSA-N 539.854 4.700 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)cc2)cc1 216626272 REHWKZGJENTIPR-UHFFFAOYSA-N 543.576 4.656 70 10 KJIE O=S(=O)(Cl)c1ccc(Oc2c(I)cc(Cl)cc2I)nc1 380454860 FUFKJSGOXCNNKX-UHFFFAOYSA-N 555.946 4.664 70 10 KJIE O=P(O)(O)OC(C[C@H](Br)CBr)(C[C@H](Br)CBr)[C@H](Cl)CCl 145373678 CZJLSZSNYKEMIN-BIIVOSGPSA-N 608.711 4.778 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1B1OC(C)(C)C(C)(C)O1 1887506859 DHPQADYFHXFHCM-UHFFFAOYSA-N 567.444 4.926 70 10 KJIE CN(C)[C@H](COc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1)OC(=O)C[C@](O)(CC(=O)O)C(=O)O 118735815 NFRVEIQEIXNLJP-YFLBFJTASA-N 596.076 4.765 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCCOc2ccc(Br)cc2Cl)cc1 216702318 QKPOVKUUZQPDTF-UHFFFAOYSA-N 541.826 4.733 70 10 KJIE O=S(=O)(Cl)C[C@H](COc1c(Br)cc(Br)cc1Br)C1CC1 701865282 IDRBGKODGVRZQM-QMMMGPOBSA-N 511.457 4.948 70 10 KJIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1C 1887520805 ALLPJNCKFAFLPY-UHFFFAOYSA-N 548.636 4.945 70 10 KJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@]2(Br)CC2(F)F)c(Br)c1 2202506349 RYBCLHOCPKUGLM-VIFPVBQESA-N 519.383 4.691 70 10 KJIE CC1(C)OB(c2cc(CN3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cc(OS(=O)(=O)F)c2)OC1(C)C 1887514645 FVVLWYKQRQRVGK-UHFFFAOYSA-N 622.524 4.646 70 10 KJIE O=S(=O)(Cl)c1cc(Br)c(OC[C@]2(Br)CC2(F)F)c(Br)c1 2202506348 RYBCLHOCPKUGLM-SECBINFHSA-N 519.383 4.691 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1 216628116 MBZFNAYTHHMQGM-HYBUGGRVSA-N 529.593 4.700 70 10 KJIE Cc1c(CN)cc([B-](F)(F)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521262 RFWZAOWUHPBXRK-UHFFFAOYSA-N 508.373 4.888 70 10 KJIE C#CCc1cc(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887521720 NDJMKDRKONGMKP-UHFFFAOYSA-N 534.609 4.835 70 10 KJIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CS(=O)(=O)F)c1I 1952487976 DZZHTBBHOWOSLW-UHFFFAOYSA-N 667.016 4.647 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2)cc1 216626798 JUHJVAFJHCDEFJ-UHFFFAOYSA-N 543.576 4.799 70 10 KJIE Cc1c(CC(=O)O)cc([B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887507049 OARVBCRGZNAQIH-UHFFFAOYSA-N 523.340 4.748 70 10 KJIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(OS(=O)(=O)F)c1 1887521569 BQMABBPLPQBQFC-UHFFFAOYSA-N 534.609 4.636 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cc1 216679097 WRYWJETTWGWPBC-RDPSFJRHSA-N 529.593 4.700 70 10 KJIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cc1 216679233 WRYWJETTWGWPBC-HYBUGGRVSA-N 529.593 4.700 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1N 1887521179 KIXQGTDJZDZJQM-UHFFFAOYSA-N 539.629 4.545 70 10 KJIE Cc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1Br 159565365 FIZRQQBNOZRICF-UHFFFAOYSA-N 502.022 4.696 70 10 KJIE Cc1c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(CC(=O)O)cc1[B-](F)(F)F 1887520159 CTNJQLCXGGOWJI-UHFFFAOYSA-N 523.340 4.748 70 10 KJIE O=C(c1cc(I)cc(I)c1I)N1CCC([B-](F)(F)F)CC1 2239530894 JYIWYUGCBSIUQZ-UHFFFAOYSA-N 633.744 4.954 70 10 KJIE Cc1c(CN)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887511286 UCISYRSMAXFLBO-UHFFFAOYSA-N 553.656 4.735 70 10 KJIE CC(=O)OC[C@@H]1O[C@@H](O[C@H](C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037814034 FRISGGIMPIFHGZ-KBGYEBMOSA-N 837.700 4.683 70 10 KJIE CN1CCC[C@H]1COc1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)CCN(c1cccc3cccc(Cl)c13)C2 1857522804 IVYJXACWAQMFBP-INIZCTEOSA-N 556.994 4.547 70 10 KJIE O=C(O)c1ccc2c(c1)C(=O)OC21c2cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c2Oc2c1cc(F)c(OS(=O)(=O)C(F)(F)F)c2F 1857523809 XSHHIFZGVZWRBI-UHFFFAOYSA-N 712.404 4.966 70 10 KJIE CC[C@H](C)OC1(O[C@H](C)CC)CC(O[C@H](C)CC)(O[C@H](C)CC)C([SiH2]O[SiH2]O[SiH3])C(O[C@H](C)CC)(O[C@H](C)CC)C1 1933295800 ZNXAVNAVFNOCBA-HRNKOIQYSA-N 639.108 4.944 70 10 KJIE Cc1c(S)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887522377 YJKOQQOEIHJVFP-UHFFFAOYSA-N 542.654 4.944 70 10 KJIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CS(=O)(=O)Cl)c1I 1952491226 QMOJZEOHYCIZMU-UHFFFAOYSA-N 683.471 4.916 70 10 KJIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1S(=O)(=O)F 1887515611 UYKBWQJYMJYYQG-UHFFFAOYSA-N 606.669 4.621 70 10 KJIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1S(=O)(=O)F 1887578287 AYWZBCLRJUBSJV-UHFFFAOYSA-N 523.630 4.611 70 10 KJIE CCOC(=O)/C(=N/Nc1ccc(C(C)=O)cc1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 102940081 TWFFQONNNTVKIO-WUVHBKSUSA-N 536.568 4.586 70 10 KJIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2269525194 FBOYSGQNTUNQJQ-HSZRJFAPSA-N 511.575 4.632 70 10 KJIE O=P(O)(O)OC(C[C@H](Br)CBr)(C[C@H](Br)CBr)[C@@H](Cl)CCl 118811122 CZJLSZSNYKEMIN-FXQIFTODSA-N 608.711 4.778 70 10 KJIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156382124 JMPOEKLUVLKHBN-DNQXCXABSA-N 501.048 4.920 70 10 KJIE CC[C@H](C)OC1(O[C@H](C)CC)C[C@](O[C@@H](C)CC)(O[C@H](C)CC)C([SiH2]O[SiH2]O[SiH3])[C@](O[C@@H](C)CC)(O[C@H](C)CC)C1 1933295802 ZNXAVNAVFNOCBA-SGYNCOQZSA-N 639.108 4.944 70 10 KJIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(N2CCNCC2)c(C)c1OS(=O)(=O)F 1887576992 WWQNCPRCSQZZLD-UHFFFAOYSA-N 553.656 4.653 70 10 KJIE CC(C)(C)c1ccc(OCCCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(Br)c1 216731955 IFJYQJXNBBYXPA-UHFFFAOYSA-N 507.391 4.823 70 10 KJIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887521281 VIXGFZHEKCVTPA-UHFFFAOYSA-N 539.629 4.545 70 10 KJIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156382123 JMPOEKLUVLKHBN-BJKOFHAPSA-N 501.048 4.920 70 10 KJIE COc1cc2c(cc1OC)[C@H](Cc1ccc(O[Cl+3](O)(O)O)c(Oc3cc4c(cc3OC)CCN(C)[C@H]4Cc3ccc(O)cc3)c1)N(C)CC2 1857789188 GLHIMYDAVKPUJH-CONSDPRKSA-N 696.217 4.926 70 10 KJIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(OS(=O)(=O)F)c1C 1887578944 FWKQXODHFQAHEM-UHFFFAOYSA-N 548.636 4.945 70 10 KJIE COC[C@H]1CC[C@@H](c2ncc(-c3ccc(OS(=O)(=O)C(F)(F)F)c4c3CCC4)[nH]2)N1C(=O)OC(C)(C)C 1857523671 UMHFNOHHRMRKRQ-KUHUBIRLSA-N 545.580 4.881 70 10 KJIE