smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(S(=O)(=O)Cl)c1 587896231 NCCRDCHKRCTFFS-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF CCOc1ccc(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896248 NQPWPXJWUCUVTQ-UHFFFAOYSA-N 460.766 4.030 70 1 JIIF Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192156 YMLKKJQKFUYYLE-KBXCAEBGSA-N 482.307 4.457 70 1 JIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850711 RRFAXFOSCRKRDD-JEOXALJRSA-N 490.778 4.158 70 1 JIIF COc1cccc(-c2ccn[nH]2)c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218364023 CTMWEIJXXSCTJH-OMWUSAIZSA-N 458.440 4.181 70 1 JIIF O=C(c1c(F)cccc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218537264 IGPUBGBQVDTOBH-FSPWUOQZSA-N 458.415 4.379 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586924340 BLCLGONUTQFCEQ-UHFFFAOYSA-N 489.280 4.113 70 1 JIIF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1OC 586926192 IRMQKCDPBHKYPG-UHFFFAOYSA-N 494.150 4.369 70 1 JIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Cl 586926867 RKFLLZUJHTYVGN-UHFFFAOYSA-N 464.334 4.179 70 1 JIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360526 OJZXZYPJCFJRAD-VWNXMTODSA-N 496.903 4.411 70 1 JIIF C/C=C/c1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 218378259 SOJZRDGJPVFUMA-DUXPYHPUSA-N 462.587 4.134 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O[SiH2]C(C)(C)C)C2)cc1 195223732 JNXBOMLFWSTREV-LJQANCHMSA-N 456.611 4.292 70 1 JIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849050 JGXAZWOVWYSSHQ-WLRWDXFRSA-N 490.778 4.158 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Cl)cccc1S(=O)(=O)Cl 587896496 QCHMSFVVMLJHLA-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF CN(C)C(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926507 LUJPMIJXQQYFDF-UHFFFAOYSA-N 477.167 4.275 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1 195166869 RDLSAYIDLSUAGR-IBGZPJMESA-N 456.611 4.292 70 1 JIIF Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1 218440116 WHHWZBWQEJZPKB-MAUKXSAKSA-N 456.472 4.366 70 1 JIIF O=C(O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926573 MQIURMIGGXZNKY-UHFFFAOYSA-N 450.097 4.272 70 1 JIIF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178147 RVVFERADPWCMLK-UHFFFAOYSA-N 461.696 4.481 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(C)nc2[nH]1 586924374 CZXBMMUAPCKBPQ-UHFFFAOYSA-N 451.129 4.285 70 1 JIIF COc1cc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925925 YZFUMDLZDMXIDK-UHFFFAOYSA-N 463.712 4.000 70 1 JIIF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC[C@H]2S(=O)(=O)Cl)N1C(=O)c1ccccc1 963449728 RXDXNVHLJHDEPN-ROKPMTFOSA-N 486.977 4.026 70 1 JIIF O=C(NS(=O)(=O)N1CC(F)(F)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F 218399536 ODMZUCMOJODESH-UHFFFAOYSA-N 498.567 4.224 70 1 JIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)n1 218484489 OUKKZLYARCWMFG-OXJNMPFZSA-N 455.534 4.396 70 1 JIIF O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607786 NYSFZUHMELKDGT-NFBKMPQASA-N 488.901 4.042 70 1 JIIF CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@@H]21 218148770 QBPJJWQYSRZQSP-JAXLGGSGSA-N 468.425 4.222 70 1 JIIF COc1ccc(Cl)cc1C#Cc1c(S(=O)(=O)Cl)cc(Cl)c(OC)c1[N+](=O)[O-] 587918380 PFFLWRJZICWTRX-UHFFFAOYSA-N 450.683 4.246 70 1 JIIF COc1cc(Cc2nc3cc(C)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925797 WCKCJDDJSRYEHP-UHFFFAOYSA-N 459.749 4.169 70 1 JIIF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586926745 DUIPQZTYJLGOKQ-UHFFFAOYSA-N 464.124 4.360 70 1 JIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1Cl 586925872 KLORHFNRANAPSK-UHFFFAOYSA-N 460.770 4.296 70 1 JIIF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928274 TZVJMAKELGZQIB-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 217620311 ZDHWRURKUSLOFY-UHFFFAOYSA-N 481.618 4.296 70 1 JIIF COc1cc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924865 KADLUNIWANEKQN-UHFFFAOYSA-N 452.813 4.256 70 1 JIIF Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192168 YMLKKJQKFUYYLE-RDTXWAMCSA-N 482.307 4.457 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)c(Br)cnc2[nH]1 586924591 FZTUZRAVBPMLHT-UHFFFAOYSA-N 451.129 4.285 70 1 JIIF O=C1CCc2cc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3cc2N1 586926196 ITWPGWGBWBIJGK-UHFFFAOYSA-N 475.151 4.458 70 1 JIIF COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)/C(F)=C\CN(C)C 217692405 DKOJJTJTHLDNCA-FRKPEAEDSA-N 474.334 4.498 70 1 JIIF Cc1sc2c(c1C)CCN[C@@]2(c1cc(S(=O)(=O)Cl)cn1C)C(Cl)(Cl)Cl 963011246 OSNIVTYPEHBXRW-CQSZACIVSA-N 462.251 4.390 70 1 JIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587719719 LPWFMRVJJWGNOK-PSLIRLAXSA-N 458.271 4.252 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(S(=O)(=O)Cl)cc1Cl 587893245 ORISCFUHWGHVLI-UHFFFAOYSA-N 469.148 4.424 70 1 JIIF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586928224 RPIJAGINSLMBRY-UHFFFAOYSA-N 464.124 4.360 70 1 JIIF C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553544 FQZXQHJBVHJIJL-WIYYLYMNSA-N 480.416 4.498 70 1 JIIF Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-c2ncccn2)c1 218452583 VFLUSJVJWQZBLK-MAUKXSAKSA-N 456.472 4.366 70 1 JIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1Cl 586926610 RQTYPSORDGQUKN-UHFFFAOYSA-N 488.521 4.464 70 1 JIIF COc1cc(/C=C/C(=O)/C=C/c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc(OC)c1OC 49763012 DZKBGNWZCUBMFN-FIFLTTCUSA-N 472.437 4.237 70 1 JIIF Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OS(=O)(=O)C(F)(F)F 587892000 JPTKDZQTZMFHMP-UHFFFAOYSA-N 480.291 4.241 70 1 JIIF COc1ccc(Cl)cc1C#Cc1cc(Br)c(S(=O)(=O)Cl)cc1C(=O)O 587918279 KCNLNPJFBPBDNX-UHFFFAOYSA-N 464.120 4.137 70 1 JIIF CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@H]21 218148946 QBPJJWQYSRZQSP-TUNNFDKTSA-N 468.425 4.222 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1S(=O)(=O)Cl 587895025 BQVUMYCQQJSLDH-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)cc1S(=O)(=O)Cl 587896169 LRMJJEYEKHJXBM-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF CC1=C(c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)NNC(=O)C1 586925029 BOCLORFMKAJLNM-UHFFFAOYSA-N 471.753 4.220 70 1 JIIF COc1cc2c(c(OC)c1OC)-c1c(OS(=O)(=O)C(F)(F)F)c(OC)cc3ccnc(c13)CC2 84670542 HOTWXGCTAURAJE-UHFFFAOYSA-N 499.463 4.263 70 1 JIIF COc1cc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924715 HMOWQCVVBLRFNO-UHFFFAOYSA-N 463.712 4.000 70 1 JIIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(I)cc3[nH]2)cc1Cl 586927604 HVCXBBREELUUFC-UHFFFAOYSA-N 453.088 4.415 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc2cccc(S(=O)(=O)Cl)c12 587896560 RRSZNZGPPVUHTR-UHFFFAOYSA-N 467.761 4.180 70 1 JIIF CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)CC1 217631477 SRGMWBGARPWYIE-UHFFFAOYSA-N 479.602 4.193 70 1 JIIF O=C(O)c1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586927586 HLLGRXYJDXJUBB-UHFFFAOYSA-N 450.097 4.272 70 1 JIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360522 OJZXZYPJCFJRAD-LADGPHEKSA-N 496.903 4.411 70 1 JIIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586928926 MPICQNLWPDGXIG-UHFFFAOYSA-N 476.407 4.150 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)c(F)cc1S(=O)(=O)Cl 587893212 NOXFTEZQTHDXIV-UHFFFAOYSA-N 469.148 4.424 70 1 JIIF O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(CC2CCC2)CC1 217618338 VCEJNFGXGCIPCF-UHFFFAOYSA-N 497.592 4.332 70 1 JIIF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC[C@@H]2S(=O)(=O)Cl)N1C(=O)c1ccccc1 963449727 RXDXNVHLJHDEPN-MZLICYQSSA-N 486.977 4.026 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)ccc1CS(=O)(=O)Cl 587896891 WEAOISCCNKTPOZ-UHFFFAOYSA-N 465.185 4.426 70 1 JIIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1Cl 586928262 SRKNHXQDXPGXMO-UHFFFAOYSA-N 459.254 4.104 70 1 JIIF COc1ccc(Cl)cc1C#Cc1cc(Br)c(C(=O)O)cc1S(=O)(=O)Cl 587918465 SIYNPVMOQUEYJJ-UHFFFAOYSA-N 464.120 4.137 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(S(=O)(=O)Cl)cc1Cl 587896322 OPQLKENKGGFAPO-UHFFFAOYSA-N 457.187 4.346 70 1 JIIF O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607793 NYSFZUHMELKDGT-NZQKXSOJSA-N 488.901 4.042 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1OC 195441160 KPAZEHZIWPYSEI-HXUWFJFHSA-N 486.637 4.301 70 1 JIIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608482 QXZCDFKHYCXIDU-WLMSZQSKSA-N 462.951 4.488 70 1 JIIF COc1cc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924700 HIMLIIVABFHKQH-UHFFFAOYSA-N 481.702 4.139 70 1 JIIF O=C(c1ccc(F)cc1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218537619 AXZNZGVQOXKZLA-UPRAQXHNSA-N 458.415 4.379 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)sc1S(=O)(=O)Cl 587896219 MXUSQVFJYJDROH-UHFFFAOYSA-N 457.187 4.346 70 1 JIIF C[C@]1(c2ccc(O)c(S(=O)(=O)Cl)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962948955 CFIDJGHCORNTHB-LJQANCHMSA-N 475.916 4.253 70 1 JIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361464 UNZICJLDGKLJTA-VWNXMTODSA-N 496.903 4.380 70 1 JIIF CCOc1ncc2ccccc2c1C(=O)N1C[C@H]2C[C@@H](Oc3cnc(C(F)(F)F)cn3)[C@H]1C2 218511377 VCKIIVINGOZJPM-KBRIMQKVSA-N 458.440 4.124 70 1 JIIF O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1[N+](=O)[O-] 586925090 CFMWQZTXTMDKOU-UHFFFAOYSA-N 451.631 4.281 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(S(=O)(=O)Cl)c1 587896792 UZNUDKNJKCDCNJ-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607797 NYSFZUHMELKDGT-REWPJTCUSA-N 488.901 4.042 70 1 JIIF CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 217725832 WXPYOZJMLRTXBF-UHFFFAOYSA-N 481.618 4.439 70 1 JIIF O=S(=O)(Cl)c1[nH]c([C@@]2(C(Cl)(Cl)Cl)NCCc3ccc(O)cc32)cc1Cl 963341633 NYUGWVGHTMAXSN-ZDUSSCGKSA-N 464.585 4.061 70 1 JIIF O=[N+]([O-])c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926102 GTPXEGIRFKWOBA-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF O=S(=O)(Cl)c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1Cl 586927150 CZQZOOIPJANRSE-UHFFFAOYSA-N 488.521 4.464 70 1 JIIF C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553541 FQZXQHJBVHJIJL-NQIIRXRSSA-N 480.416 4.498 70 1 JIIF O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(Br)cn3)[C@H]1C2 218374899 WHPVXNLPYOHPJB-FSPWUOQZSA-N 469.314 4.122 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 586924370 CXPJGZJAKWNEOA-UHFFFAOYSA-N 461.124 4.454 70 1 JIIF COc1cc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924856 JYJLIXLECGAODZ-UHFFFAOYSA-N 485.818 4.148 70 1 JIIF Cc1cc(-c2nc3c(Cl)ncc(I)c3[nH]2)ccc1S(=O)(=O)Cl 586928199 RECJYHVHJXUSBS-UHFFFAOYSA-N 468.103 4.119 70 1 JIIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608480 QXZCDFKHYCXIDU-SYZRHNAJSA-N 462.951 4.488 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(S(=O)(=O)Cl)c1 587896081 KVRJVKBRQCJMKY-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1 218440007 HSXKCWMBEOZEAA-SUMWQHHRSA-N 464.879 4.440 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c(O)c2[nH]1 586925543 SRDYORILLKWXQY-UHFFFAOYSA-N 452.113 4.288 70 1 JIIF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3c2)cc1 587180559 KUEFSLGOGWTTAZ-UHFFFAOYSA-N 495.941 4.351 70 1 JIIF N#Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C#N 586926303 JXDKAZXCXRYYGV-UHFFFAOYSA-N 456.108 4.317 70 1 JIIF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447557 CBJHJBSFDWJKRZ-UUOWRZLLSA-N 470.930 4.323 70 1 JIIF CCc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927132 JLJQDVAXADHXTB-UHFFFAOYSA-N 457.733 4.269 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1S(=O)(=O)Cl 587896928 XSMZTDHRKDMTMT-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586925640 AARMUULSUDMCBS-ZDUSSCGKSA-N 464.128 4.297 70 1 JIIF CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1S(=O)(=O)Cl 586927869 SVRSIUITMPVETO-UHFFFAOYSA-N 450.903 4.495 70 1 JIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849049 JGXAZWOVWYSSHQ-NSPYISDASA-N 490.778 4.158 70 1 JIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)OCc3ccccc3)CC2)n1 218482652 BANUYLNMDZAHQY-GHTZIAJQSA-N 467.570 4.307 70 1 JIIF O=C(c1cccc(F)c1-c1ncccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218524404 HUKWIAXQBOHZIX-FSPWUOQZSA-N 458.415 4.379 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1 586927411 YJQZBFUJRRNXOQ-UHFFFAOYSA-N 450.141 4.108 70 1 JIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849052 JGXAZWOVWYSSHQ-WYRIXSBYSA-N 490.778 4.158 70 1 JIIF O=C(O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F 586927369 XNLCQDHNBYOXEP-UHFFFAOYSA-N 468.087 4.411 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)c(F)cc(F)c1S(=O)(=O)Cl 587893586 YMZPXOQKSRQZOA-UHFFFAOYSA-N 470.683 4.049 70 1 JIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608484 QXZCDFKHYCXIDU-XLIBOJQPSA-N 462.951 4.488 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1 195166879 RDLSAYIDLSUAGR-LJQANCHMSA-N 456.611 4.292 70 1 JIIF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1[N+](=O)[O-] 586926243 JLCXASPTBLSDOE-UHFFFAOYSA-N 496.082 4.390 70 1 JIIF COc1cc2c3c(c1)O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H](C2)C3=O 587448698 LUQQQENYYHUKOG-UGSOOPFHSA-N 457.729 4.048 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1OC 195441155 KPAZEHZIWPYSEI-FQEVSTJZSA-N 486.637 4.301 70 1 JIIF CN1CCN(c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)CC1 586925179 CPKDUKCBIXOSEY-UHFFFAOYSA-N 459.786 4.216 70 1 JIIF CCS(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586924355 CGXHDMRQJDUTQF-UHFFFAOYSA-N 453.756 4.258 70 1 JIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361462 UNZICJLDGKLJTA-UPVQGACJSA-N 496.903 4.380 70 1 JIIF Cc1sc2c(c1C)CCN[C@]2(c1cc(S(=O)(=O)Cl)cn1C)C(Cl)(Cl)Cl 963011242 OSNIVTYPEHBXRW-AWEZNQCLSA-N 462.251 4.390 70 1 JIIF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587180890 PHBBQKWWIKMZLI-UHFFFAOYSA-N 495.941 4.351 70 1 JIIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608474 QXZCDFKHYCXIDU-DENKBBGASA-N 462.951 4.488 70 1 JIIF O=S(=O)(Cl)c1[nH]c([C@]2(C(Cl)(Cl)Cl)NCCc3ccc(O)cc32)cc1Cl 963341632 NYUGWVGHTMAXSN-CYBMUJFWSA-N 464.585 4.061 70 1 JIIF COc1cc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925451 PNAMUCMUXFCOGS-UHFFFAOYSA-N 468.922 4.195 70 1 JIIF O=C(O)Cc1c(-c2ccc(S(=O)(=O)Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994593 XVGQLROIIQDSSB-UHFFFAOYSA-N 479.897 4.373 70 1 JIIF COc1cc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925622 UICZFTQZJIYEDH-UHFFFAOYSA-N 463.712 4.000 70 1 JIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(I)cnc3[nH]2)c1Cl 586926825 QTYQKHGKXPCYGA-UHFFFAOYSA-N 468.103 4.119 70 1 JIIF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586928112 YZJYNKJAMNCCBW-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587848895 JGXAZWOVWYSSHQ-JEOXALJRSA-N 490.778 4.158 70 1 JIIF CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587895125 CQCKPNTYPKXRJJ-UHFFFAOYSA-N 460.766 4.030 70 1 JIIF Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192165 YMLKKJQKFUYYLE-KSSFIOAISA-N 482.307 4.457 70 1 JIIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CC2CCC2)CC1 217622408 BNMJCXUNQPUDMN-UHFFFAOYSA-N 485.631 4.254 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)F 587895051 KWXHMWQNBPRVQW-UHFFFAOYSA-N 468.255 4.381 70 1 JIIF O=S(=O)(Cl)c1ccc(-c2nc3cccc(I)c3[nH]2)cc1Cl 586927572 HENVYIGWEYTJQC-UHFFFAOYSA-N 453.088 4.415 70 1 JIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587723475 XFRKXLADHFQFNB-PSLIRLAXSA-N 458.271 4.252 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586924344 BSGILJDXQQSHQN-UHFFFAOYSA-N 461.636 4.233 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c([N+](=O)[O-])cc(Cl)cc1S(=O)(=O)Cl 587897061 ZUWYZTARWOWZMG-UHFFFAOYSA-N 496.155 4.193 70 1 JIIF N#Cc1nc(Cl)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926875 RKIQBFVTBSXGKF-UHFFFAOYSA-N 466.531 4.493 70 1 JIIF O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCC(Cl)(Cl)CC2)cc1F 218212315 REISFXFZVMMSLS-UHFFFAOYSA-N 479.401 4.126 70 1 JIIF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC[C@@H]2S(=O)(=O)Cl)N1C(=O)c1ccccc1 963449730 RXDXNVHLJHDEPN-SKPFHBQLSA-N 486.977 4.026 70 1 JIIF COc1cc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925133 MFLHLFJIPBRDIX-UHFFFAOYSA-N 470.934 4.329 70 1 JIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)O2 587381987 JTZUSQXEIJDOFO-QGZVFWFLSA-N 494.285 4.067 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1Cl 587894983 BKGBHODNFQYISO-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF COc1cccc(-c2ncccn2)c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218364374 YREUWZWUXFUQNJ-LSBZLQRGSA-N 470.451 4.248 70 1 JIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587723474 XFRKXLADHFQFNB-BJOHPYRUSA-N 458.271 4.252 70 1 JIIF CCS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926001 DDBJEGQZHKSDQA-UHFFFAOYSA-N 498.207 4.367 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1 587896898 WMWNCEFJHZGJKD-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1Cl 586926108 GXPASGFXTHHZJM-UHFFFAOYSA-N 473.281 4.413 70 1 JIIF COc1cc(Cc2nc3cc(C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925460 PWADTZNOLRFBRZ-UHFFFAOYSA-N 459.749 4.169 70 1 JIIF COc1cc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924325 AQTOYZHEWMCXJW-UHFFFAOYSA-N 473.776 4.478 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(S(=O)(=O)Cl)c1 587896940 YBKGJOVVYYLRHP-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(Cl)c1S(=O)(=O)Cl 587894283 XHIUSANQXPKPGP-UHFFFAOYSA-N 469.148 4.424 70 1 JIIF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586928977 NWLKAYJPTQHDOR-UHFFFAOYSA-N 476.407 4.198 70 1 JIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850713 RRFAXFOSCRKRDD-NSPYISDASA-N 490.778 4.158 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1Cl 587895498 GCKSGBWFLLHZJC-UHFFFAOYSA-N 496.155 4.193 70 1 JIIF COc1cc2c(cc1OC)[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N(C)[C@@H](C)C2 962629363 HODCMENXYDPKAM-RBZFPXEDSA-N 459.486 4.072 70 1 JIIF O=S(=O)(Cl)c1cc(-c2nc3ccc(I)cc3[nH]2)ccc1Cl 586927296 KKMCVAKXKXNSOC-UHFFFAOYSA-N 453.088 4.415 70 1 JIIF O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586927036 TWGVASUAIMZZPY-UHFFFAOYSA-N 450.097 4.272 70 1 JIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587719721 LPWFMRVJJWGNOK-RFAUZJTJSA-N 458.271 4.252 70 1 JIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608479 QXZCDFKHYCXIDU-QMXMUAKLSA-N 462.951 4.488 70 1 JIIF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587447556 CBJHJBSFDWJKRZ-MHECFPHRSA-N 470.930 4.323 70 1 JIIF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1Cl 587895040 BVKDFPGBHHJMLU-UHFFFAOYSA-N 481.184 4.293 70 1 JIIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925361 OTQSZFKBGCNNNB-UHFFFAOYSA-N 496.825 4.495 70 1 JIIF CCc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586928115 ZGEOCRSIFBLONI-UHFFFAOYSA-N 482.130 4.373 70 1 JIIF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1 586927607 HVNXIVPSHDNYJH-UHFFFAOYSA-N 491.978 4.275 70 1 JIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608483 QXZCDFKHYCXIDU-XHJKUMLUSA-N 462.951 4.488 70 1 JIIF O=C(O)c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586927898 TYXWCBFDGHLQKO-UHFFFAOYSA-N 450.097 4.272 70 1 JIIF C[C@@]1(c2ccc(O)c(S(=O)(=O)Cl)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962948943 CFIDJGHCORNTHB-IBGZPJMESA-N 475.916 4.253 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1Br 587896525 RGCFUPRHNCUBHK-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)CC1 217618085 HSHMWJVEVGESPJ-UHFFFAOYSA-N 485.631 4.254 70 1 JIIF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F 218212666 BGZNJEGXERCGGC-UHFFFAOYSA-N 475.504 4.264 70 1 JIIF COc1ccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-c2ncccn2)c1 218524745 DSTQNGFYZOHDRW-JSNMRZPZSA-N 470.451 4.248 70 1 JIIF COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 586924747 IGKFBQKARJGJEH-UHFFFAOYSA-N 494.150 4.369 70 1 JIIF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926033 FHSYPNSGWAENQL-UHFFFAOYSA-N 464.124 4.360 70 1 JIIF COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1S(=O)(=O)Cl 587896264 NXCRDKAZMOUVFO-UHFFFAOYSA-N 481.184 4.293 70 1 JIIF COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2cc1OC 586926668 NVDAFFRJHKGPTO-UHFFFAOYSA-N 494.150 4.369 70 1 JIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360524 OJZXZYPJCFJRAD-UPVQGACJSA-N 496.903 4.411 70 1 JIIF O=[N+]([O-])c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926326 KIWZKCWEPCQIAL-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF COc1cc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924647 GRQZFFVKXLPXKU-UHFFFAOYSA-N 459.749 4.169 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C=C(S(=O)(=O)Cl)CO2 587894940 AOCRFCXCONXHBB-UHFFFAOYSA-N 470.761 4.006 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)sc1Cl 587896186 LZOCJFLDUPTCFV-UHFFFAOYSA-N 457.187 4.346 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)ccc1S(=O)(=O)Cl 587897034 ZPMNZXJYXDVCJV-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cl)c1S(=O)(=O)Cl 587896527 RILXUILVIWXEIS-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 217635164 SYAPVLWLLPVWCI-UHFFFAOYSA-N 487.647 4.358 70 1 JIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361460 UNZICJLDGKLJTA-LADGPHEKSA-N 496.903 4.380 70 1 JIIF COc1cc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924367 CVGSAAKFBYRVTM-UHFFFAOYSA-N 452.813 4.256 70 1 JIIF Cc1cc(-c2nc3c(Br)ncc(Br)c3[nH]2)ccc1S(=O)(=O)Cl 586928174 QSGQFTKYWVBXPC-UHFFFAOYSA-N 465.554 4.386 70 1 JIIF COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)c1 195302619 ZXUKIIFWCGBCHG-HXUWFJFHSA-N 486.637 4.301 70 1 JIIF COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C)cnc2[nH]1 217031567 FWMUEYIPJVTZHQ-UHFFFAOYSA-N 458.474 4.251 70 1 JIIF C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553539 FQZXQHJBVHJIJL-GHTZIAJQSA-N 480.416 4.498 70 1 JIIF O=S(=O)(Cl)c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl 586927701 QMNURWQQYIYACE-UHFFFAOYSA-N 459.254 4.104 70 1 JIIF COc1cc(C(=O)N2CC[C@H]2c2nc(-c3cccc(Cl)c3C)no2)c(-n2nccn2)cc1C 218019223 XABSGZKQRPNJSC-SFHVURJKSA-N 464.913 4.183 70 1 JIIF COc1cc2c3c(c1)O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H](C2)C3=O 587448696 LUQQQENYYHUKOG-SCLBCKFNSA-N 457.729 4.048 70 1 JIIF COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)c1 195302607 ZXUKIIFWCGBCHG-FQEVSTJZSA-N 486.637 4.301 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(I)c2[nH]1 586925548 SSFXQEKSUSAXFI-UHFFFAOYSA-N 483.114 4.424 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 586926526 LWXIBWCTQJHYTO-UHFFFAOYSA-N 450.097 4.302 70 1 JIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850715 RRFAXFOSCRKRDD-WLRWDXFRSA-N 490.778 4.158 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c2ncccc2c1 587896273 ODFJPCPRSDWDLO-UHFFFAOYSA-N 467.761 4.180 70 1 JIIF COc1cc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925623 UIOZBVBNIGDZAM-UHFFFAOYSA-N 468.922 4.195 70 1 JIIF COc1cc2c(cc1OC)[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N(C)[C@H](C)C2 962629371 HODCMENXYDPKAM-ZUOKHONESA-N 459.486 4.072 70 1 JIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361458 UNZICJLDGKLJTA-ISKFKSNPSA-N 496.903 4.380 70 1 JIIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608477 QXZCDFKHYCXIDU-LAHPKLRZSA-N 462.951 4.488 70 1 JIIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O[SiH2]C(C)(C)C)C2)cc1 195223718 JNXBOMLFWSTREV-IBGZPJMESA-N 456.611 4.292 70 1 JIIF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(OS(=O)(=O)C(F)(F)F)c2c1 587649234 GINSNUMXQVRQGO-UHFFFAOYSA-N 498.298 4.229 70 1 JIIF O=S(=O)(Cl)c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl 586926743 DTNSLVGQHMNGNN-UHFFFAOYSA-N 488.521 4.464 70 1 JIIF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586926881 BBKKBYHUSXZWDQ-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587723476 XFRKXLADHFQFNB-RFAUZJTJSA-N 458.271 4.252 70 1 JIIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608485 QXZCDFKHYCXIDU-XNXHMXAWSA-N 462.951 4.488 70 1 JIIF COc1cc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925457 PSJOTDMMTCXBED-UHFFFAOYSA-N 463.712 4.000 70 1 JIIF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc3c2)cc1 586928357 YLDHENAZVKOURL-UHFFFAOYSA-N 491.978 4.275 70 1 JIIF COc1cc(Cc2nc3cc(Br)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925685 UQHDKVUEZOMWON-UHFFFAOYSA-N 463.712 4.000 70 1 JIIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608481 QXZCDFKHYCXIDU-VLCIQMGPSA-N 462.951 4.488 70 1 JIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587723477 XFRKXLADHFQFNB-VFZGTOFNSA-N 458.271 4.252 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(Cl)cc1S(=O)(=O)Cl 587893460 UWYGQRACGXZAKW-UHFFFAOYSA-N 469.148 4.424 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1Br 587896996 YUVQIFLNRTULPF-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF C[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1Cl)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 44069980 BKRDIDRNJIXOCB-SNVBAGLBSA-N 471.862 4.017 70 1 JIIF COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926088 GNNITJSGEQBPDN-UHFFFAOYSA-N 464.124 4.360 70 1 JIIF Cc1cc(N)c2c(c1)C(=O)C[C@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)O2 587381984 JTZUSQXEIJDOFO-KRWDZBQOSA-N 494.285 4.067 70 1 JIIF CCc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl 586927600 OTSMHMCRISWGFP-UHFFFAOYSA-N 452.863 4.013 70 1 JIIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608478 QXZCDFKHYCXIDU-LLMIVBOJSA-N 462.951 4.488 70 1 JIIF COc1cc(S(N)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCCC2)ccc1F 218113601 JPGTZVPDCMRYND-UHFFFAOYSA-N 467.526 4.071 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586926067 GEVGPHOFDPPBKV-UHFFFAOYSA-N 462.112 4.155 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(F)c(F)c1S(=O)(=O)Cl 587892289 PBAWTLOGSQIIOX-UHFFFAOYSA-N 470.683 4.049 70 1 JIIF N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586925634 AARMUULSUDMCBS-CYBMUJFWSA-N 464.128 4.297 70 1 JIIF Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192163 YMLKKJQKFUYYLE-KDOFPFPSSA-N 482.307 4.457 70 1 JIIF O=c1oc2cc(OCCCCN3CCN(c4ccccc4CO)CC3)ccc2c2c1CCCC2 218090281 HKXRQTMPTWDRPV-UHFFFAOYSA-N 462.590 4.145 70 1 JIIF C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553543 FQZXQHJBVHJIJL-RXVVDRJESA-N 480.416 4.498 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586927321 WWLNXJNJMNKYRH-UHFFFAOYSA-N 476.061 4.334 70 1 JIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850717 RRFAXFOSCRKRDD-WYRIXSBYSA-N 490.778 4.158 70 1 JIIF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2OS(=O)(=O)C(F)(F)F)c(OC)c1OC 1772645383 XQFYDAGHZYRANF-UHFFFAOYSA-N 474.409 4.023 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(I)cc2[nH]1 586925004 KKXZNAYNQBXAQW-UHFFFAOYSA-N 483.114 4.424 70 1 JIIF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC[C@H]2S(=O)(=O)Cl)N1C(=O)c1ccccc1 963449725 RXDXNVHLJHDEPN-DCLXLUIPSA-N 486.977 4.026 70 1 JIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587719725 LPWFMRVJJWGNOK-VFZGTOFNSA-N 458.271 4.252 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(Br)c1 587894920 AGVVCYXVDBBXLV-UHFFFAOYSA-N 495.609 4.394 70 1 JIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608476 QXZCDFKHYCXIDU-KLLUNRAKSA-N 462.951 4.488 70 1 JIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(OS(=O)(=O)C(F)(F)F)CCC2)N1 587719692 LPWFMRVJJWGNOK-BJOHPYRUSA-N 458.271 4.252 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(F)cnc(Br)c2[nH]1 586924330 AXYGGXVXMLZANN-UHFFFAOYSA-N 455.092 4.116 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c(F)cc1Cl 587893282 PNYMSSSEFQJUKF-UHFFFAOYSA-N 469.148 4.424 70 1 JIIF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586927736 QZWWYZFATLMQBX-UHFFFAOYSA-N 451.085 4.482 70 1 JIIF COc1cc2c(cc1OC)[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N(C)[C@@H](C)C2 962629364 HODCMENXYDPKAM-RNODOKPDSA-N 459.486 4.072 70 1 JIIF COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)Cl 587410367 RILBMPOJIXPKLA-HSZRJFAPSA-N 457.935 4.422 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1Cl 587895916 KMVRSTLECGCEMT-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360520 OJZXZYPJCFJRAD-ISKFKSNPSA-N 496.903 4.411 70 1 JIIF COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(Br)c1S(=O)(=O)Cl 587918343 NNFPHOCZLAAXSD-UHFFFAOYSA-N 464.120 4.137 70 1 JIIF O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607795 NYSFZUHMELKDGT-OFNKIYASSA-N 488.901 4.042 70 1 JIIF COc1cc2c(cc1OC)[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N(C)[C@H](C)C2 962629366 HODCMENXYDPKAM-XCLFUZPHSA-N 459.486 4.072 70 1 JIIF O=S(=O)(Cl)c1ccc(Nc2nnc(Sc3ccc(S(=O)(=O)Cl)cc3)s2)cc1 103294030 HJLVZOLPWQDYRX-UHFFFAOYSA-N 482.417 4.288 70 1 JIIF O=S(=O)(Cl)c1cc(-c2nc3cccc(I)c3[nH]2)ccc1Cl 586926632 CAPBCHNSWGUUDH-UHFFFAOYSA-N 453.088 4.415 70 1 JIIF O=C(O)c1cc(F)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926207 JAOCMRUJBZXPLH-UHFFFAOYSA-N 468.087 4.411 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)F)c(C(F)(F)F)c1 587894888 GGINMOCYKAQACJ-UHFFFAOYSA-N 468.255 4.381 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586925484 RNSJDBMQVGSRCJ-UHFFFAOYSA-N 480.123 4.280 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586924336 BHZJNSCVAKZFJA-UHFFFAOYSA-N 481.111 4.490 70 1 JIIF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1S(=O)(=O)Cl 587410368 RILBMPOJIXPKLA-QHCPKHFHSA-N 457.935 4.422 70 1 JIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587177921 GZVJZSNKPOYRPR-UHFFFAOYSA-N 472.066 4.195 70 1 JIIF COc1cc(Cc2nc3cc(Br)cc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925105 LQSMJIMYFRPKPH-UHFFFAOYSA-N 459.749 4.169 70 1 JIIF COc1cc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925971 ZTPQGRXSZUMWTR-UHFFFAOYSA-N 473.938 4.473 70 1 JIIF CCOC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1 586927590 HOAHMUKNTAWUFY-UHFFFAOYSA-N 457.733 4.405 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3nc(Br)c[nH]c-3n2)c1 586927230 VIMGVPALYDDCEM-UHFFFAOYSA-N 486.960 4.077 70 1 JIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586924802 ISOFYRNQKNMGPO-UHFFFAOYSA-N 481.111 4.490 70 1 JIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586926921 RXXUFVZPLRLINA-UHFFFAOYSA-N 464.124 4.345 70 1 JIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587178082 OYWWSZWNLBIZOY-UHFFFAOYSA-N 469.517 4.462 70 1 JIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Cl)c1Cl 587897011 ZFLUOXWGHZPWFH-UHFFFAOYSA-N 451.158 4.285 70 1 JIIF CC(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)cc1Cl 217905108 FTFVFAHJHJQWBC-UHFFFAOYSA-N 483.949 4.011 70 1 JIIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608475 QXZCDFKHYCXIDU-DVZBENKUSA-N 462.951 4.488 70 1 JIIF