smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1ccc([C@@H]2CCC(O)=N2)cc1 328579631 SPQPWQSSWSSRGT-VIFPVBQESA-N 259.714 2.406 70 30 CEIC N#Cc1ccc(S(=O)(=O)Cl)c(Br)c1 59145539 VQLXVSAILFHTBT-UHFFFAOYSA-N 280.530 2.248 70 30 CEIC N#Cc1ccc(S(=O)(=O)Cl)cc1Br 100559137 BCIQSKZDKOJPFW-UHFFFAOYSA-N 280.530 2.248 70 30 CEIC in-vitro COC(=O)c1cc2cc(S(=O)(=O)Cl)ccc2o1 218873687 SAFHZTUGXBKQAC-UHFFFAOYSA-N 274.681 2.147 70 30 CEIC O=S(=O)(Oc1cc2ccccc2cn1)C(F)(F)F 113179899 QAWFUCPQCHKVOO-UHFFFAOYSA-N 277.223 2.463 70 30 CEIC O=S(=O)(Cl)c1cc2c(Cl)nccc2o1 307598403 PFXOQWRJTGIVMI-UHFFFAOYSA-N 252.078 2.409 70 30 CEIC Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)Cl 100463192 GMDYJDXVZIMUFO-UHFFFAOYSA-N 269.105 2.274 70 30 CEIC in-vitro O=S(=O)(Cl)Cc1cccnc1C(F)(F)F 575470194 DWNJWGAVQDTXSY-UHFFFAOYSA-N 259.636 2.169 70 30 CEIC O=C(O)c1cc(S(=O)(=O)Cl)cc2ccccc12 100646704 JRFYPKSICGXQGM-UHFFFAOYSA-N 270.693 2.466 70 30 CEIC in-vitro O=S(=O)(Cl)c1c(O)cccc1OC(F)(F)F 390260941 ZGHLDCXTZXWITC-UHFFFAOYSA-N 276.619 2.218 70 30 CEIC O=S(=O)(Cl)c1cnn(-c2ccc(Cl)cc2)c1 59312406 XFPBCLZZJICDMF-UHFFFAOYSA-N 277.132 2.453 70 30 CEIC COc1ccc(S(=O)(=O)Cl)c2ncccc12 130250983 HVQGEXUGTNNNQU-UHFFFAOYSA-N 257.698 2.171 70 30 CEIC CCOC(=O)c1cc(S(=O)(=O)Cl)cnc1C(F)F 238855438 RTVVUUNFTCSDSC-UHFFFAOYSA-N 299.682 2.123 70 30 CEIC CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCNC1 218526440 DZTYUFHLEYKZKV-SECBINFHSA-N 264.316 2.241 70 30 CEIC O=S(=O)(Cl)C[C@@H]1CCC2(CCCCC2)O1 229255624 FNFSTJSTAYLPNQ-VIFPVBQESA-N 252.763 2.437 70 30 CEIC O=S(=O)(Cl)c1cc(O)cc(C(F)(F)F)c1 238728068 KALDIPLMNMJELE-UHFFFAOYSA-N 260.620 2.339 70 30 CEIC Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Cl)c1 59266837 VSCYJOGSJGGTSD-UHFFFAOYSA-N 270.093 2.484 70 30 CEIC O=S(=O)(Cl)c1ccc([C@H]2CCC(O)=N2)cc1 328579630 SPQPWQSSWSSRGT-SECBINFHSA-N 259.714 2.406 70 30 CEIC O=S(=O)(Cl)c1c[nH]c2ncc(Br)cc12 306304881 QSHKMZHQTJIDND-UHFFFAOYSA-N 295.545 2.253 70 30 CEIC N#Cc1cc(F)c(S(=O)(=O)Cl)cc1Br 238852640 GTGWABGHQYJZCT-UHFFFAOYSA-N 298.520 2.387 70 30 CEIC O=S(=O)(Cl)C[C@@H]1CCC[C@H](C(F)(F)F)O1 675050798 MUHVKJWKILBCDH-NTSWFWBYSA-N 266.668 2.055 70 30 CEIC C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Cl)ccc2S1 100104705 KOQPZJTYPVPIHW-LURJTMIESA-N 291.781 2.437 70 30 CEIC CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)Cl)C1 103597835 RENPBPBQYNJKOQ-VIFPVBQESA-N 297.804 2.202 70 30 CEIC O=S(=O)(Cl)C1(COCc2ccccc2)CC1 117384247 PIJBRIKYXKXSSU-UHFFFAOYSA-N 260.742 2.304 70 30 CEIC O=S(=O)(Cl)c1cc(F)cc(OC(F)F)c1 238525813 BVQUOGYVCGCDOX-UHFFFAOYSA-N 260.620 2.355 70 30 CEIC Cc1cc(C(F)(F)F)ncc1S(=O)(=O)Cl 306519797 JCCFTFRYPYKCFA-UHFFFAOYSA-N 259.636 2.336 70 30 CEIC O=S(=O)(Cl)C[C@@H]1CC2(CCCCC2)CO1 721837832 MFCMJHHUWDETBK-VIFPVBQESA-N 252.763 2.294 70 30 CEIC Cc1nc(Br)sc1S(=O)(=O)Cl 100440649 JAMLMXDGTIYZMH-UHFFFAOYSA-N 276.564 2.142 70 30 CEIC in-vitro O=S(=O)(Cl)c1ccc(OC(F)F)cc1F 306648609 DUTOWVHDIIXNHO-UHFFFAOYSA-N 260.620 2.355 70 30 CEIC Cc1c(S(=O)(=O)Cl)cnn1-c1ccc(F)cc1 100446165 VYPKESOOUFVRPQ-UHFFFAOYSA-N 274.704 2.247 70 30 CEIC in-vitro CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)F)cc1 313215475 YQBOGTSINVJZOU-UHFFFAOYSA-N 289.328 2.370 70 30 CEIC CN1C(=O)c2cccc3c(S(=O)(=O)Cl)ccc1c23 100459957 QCMJKMULXRHZKZ-UHFFFAOYSA-N 281.720 2.357 70 30 CEIC O=S(=O)(Cl)c1cnc(-c2ccccc2)nc1 100503965 XIZFXHJEWBQWMI-UHFFFAOYSA-N 254.698 2.071 70 30 CEIC CN(C)c1ccc(Br)c(S(=O)(=O)Cl)c1 100453894 ASGFPHYVJDMJGK-UHFFFAOYSA-N 298.589 2.443 70 30 CEIC in-vitro O=C1CCc2cc(Cl)c(S(=O)(=O)Cl)cc21 97956500 TUURWJRLUXOCDV-UHFFFAOYSA-N 265.117 2.396 70 30 CEIC COc1ccnc2c(S(=O)(=O)Cl)cccc12 97972575 TWJLTOPWNBZVAR-UHFFFAOYSA-N 257.698 2.171 70 30 CEIC N#Cc1ccc(OC(F)F)c(S(=O)(=O)Cl)c1 108297894 NRNMCVZQGSLMFL-UHFFFAOYSA-N 267.640 2.087 70 30 CEIC COCc1cc(Cl)cc(S(=O)(=O)Cl)c1 133889664 RHVUISRGWFLLIP-UHFFFAOYSA-N 255.122 2.414 70 30 CEIC CC(F)(F)C1(CS(=O)(=O)Cl)CCOCC1 950757579 WUQVMHJLLLAALS-UHFFFAOYSA-N 262.705 2.007 70 30 CEIC COC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C 105382366 MYLJFRKKFNLYEX-UHFFFAOYSA-N 263.702 2.101 70 30 CEIC O=S(=O)(Cl)c1ccc(OC2CCOCC2)cc1 111866083 ZOHSCBXEKHQRRV-UHFFFAOYSA-N 276.741 2.172 70 30 CEIC CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)Cl)C1 675050820 ONHLSOJMBVATKG-DTWKUNHWSA-N 297.804 2.248 70 30 CEIC COc1ccc2cc(S(=O)(=O)Cl)ccc2n1 108297285 BXAKLISSBDVISR-UHFFFAOYSA-N 257.698 2.171 70 30 CEIC O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Cl 218914181 CAYHXIQWBSUACG-UHFFFAOYSA-N 274.056 2.315 70 30 CEIC O=S(=O)(Cl)C[C@H]1CCC2(CCCCC2)O1 229255636 FNFSTJSTAYLPNQ-SECBINFHSA-N 252.763 2.437 70 30 CEIC O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1O 216659062 OYMPSPOAOKBAGC-UHFFFAOYSA-N 260.620 2.339 70 30 CEIC in-vitro CC(=O)N1C[C@H](C)c2ccc(S(=O)(=O)Cl)cc21 757070096 XAJGSPXTYMSAAK-ZETCQYMHSA-N 273.741 2.084 70 30 CEIC COc1ccc(OC(F)F)c(S(=O)(=O)Cl)c1 59266814 FGKMHFBDJBWSGH-UHFFFAOYSA-N 272.656 2.224 70 30 CEIC in-vitro O=S(=O)(Cl)C[C@H]1CC2(CCCCC2)CO1 721837830 MFCMJHHUWDETBK-SECBINFHSA-N 252.763 2.294 70 30 CEIC O=S(=O)(Cl)N1CCC(c2ccccc2)CC1 220432447 YHRJYALJKYVQCE-UHFFFAOYSA-N 259.758 2.350 70 30 CEIC O=S(=O)(Cl)c1ccc(Br)c(O)c1 218481840 TVDJJMXGNZPDNP-UHFFFAOYSA-N 271.519 2.082 70 30 CEIC in-vitro COc1cc(Br)ccc1N1CCOCC1 218765897 XOVWEFZHHBJOLD-UHFFFAOYSA-N 272.142 2.294 70 30 CEIC COC(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F 59261935 GZPNIXLNPHAXDS-UHFFFAOYSA-N 287.095 2.193 70 30 CEIC in-vitro O=S(=O)(F)c1c(Cl)cncc1Br 2265360059 PPQJGHQRDHLZKR-UHFFFAOYSA-N 274.498 2.156 70 30 CEIC Cc1c([N+](=O)[O-])cc(S(=O)(=O)Cl)c(C)c1[N+](=O)[O-] 100548369 TWOATHSLDFFDQE-UHFFFAOYSA-N 294.672 2.047 70 30 CEIC O=S(=O)(Cl)c1sc(Cl)nc1CCl 685945524 GCMPRSFOWMRWQJ-UHFFFAOYSA-N 266.558 2.463 70 30 CEIC Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1Cl 100461000 LNXKUHAQOFLUPW-UHFFFAOYSA-N 269.105 2.274 70 30 CEIC in-vitro CCCc1ccc(C(=O)O)cc1S(=O)(=O)Cl 225672243 DSJOMBVIOURQLS-UHFFFAOYSA-N 262.714 2.265 70 30 CEIC O=S(=O)(Cl)c1ccnn1CCc1ccccc1 521399129 MHVZATJLMKCQFY-UHFFFAOYSA-N 270.741 2.053 70 30 CEIC O=C(Nc1cccc(S(=O)(=O)Cl)c1)C(F)(F)F 105388021 TVDYJVNOPYGIRF-UHFFFAOYSA-N 287.646 2.115 70 30 CEIC Cc1cc(F)c(C(=O)Cl)cc1S(=O)(=O)Cl 675057691 IRWPQPXZFNRXLU-UHFFFAOYSA-N 271.096 2.441 70 30 CEIC COc1ccc2cccnc2c1S(=O)(=O)Cl 521400624 BOYGXUWPYKJSSH-UHFFFAOYSA-N 257.698 2.171 70 30 CEIC Cc1cccc(-n2cc(S(=O)(=O)Cl)cn2)c1 59312433 AVAVFOQPTYUITK-UHFFFAOYSA-N 256.714 2.108 70 30 CEIC OCC(CO)(CCl)COc1ccc2c(c1)CCCC2 3636486 MYGJMUNIOYFYCL-UHFFFAOYSA-N 284.783 2.154 70 30 CEIC COc1nccc(C(F)(F)F)c1S(=O)(=O)Cl 146959337 DMKFWTCEKLNOKK-UHFFFAOYSA-N 275.635 2.037 70 30 CEIC CC(=O)N1C[C@@H](C)c2ccc(S(=O)(=O)Cl)cc21 757070087 XAJGSPXTYMSAAK-SSDOTTSWSA-N 273.741 2.084 70 30 CEIC N#Cc1c(F)cc(Br)cc1S(=O)(=O)Cl 306920904 OEOHVHCTOUQDJD-UHFFFAOYSA-N 298.520 2.387 70 30 CEIC O=S(=O)(Cl)c1c[nH]c2ncc(Cl)cc12 685945610 FQCWCGBYUHIURW-UHFFFAOYSA-N 251.094 2.144 70 30 CEIC Cc1cc(S(=O)(=O)Cl)cnc1C(F)(F)F 950757269 NPVQFCSFNYLAIN-UHFFFAOYSA-N 259.636 2.336 70 30 CEIC O=S(=O)(Cl)c1ccc(F)c(OC(F)F)c1 238526165 VOTJGRDHBFBSCU-UHFFFAOYSA-N 260.620 2.355 70 30 CEIC COC(OC)[SiH2]OC(C)(C)[C@H]1CC=C(C)CC1 195766677 IGFMDUQDRALDQJ-NSHDSACASA-N 258.434 2.188 70 30 CEIC CO[Si](CC[Si](C)(C)O[SiH](C)C)(OC)OC 196069689 BFQCAXFSZDLJSN-UHFFFAOYSA-N 282.561 2.070 70 30 CEIC O=S(=O)(Cl)c1ccc(Cl)c2nsnc12 118865471 DSBXZVNDTFXOSS-UHFFFAOYSA-N 269.134 2.272 70 30 CEIC COCCOc1ccc(Cl)cc1S(=O)(=O)Cl 100467260 PHGSDMXKGWEPRZ-UHFFFAOYSA-N 285.148 2.293 70 30 CEIC CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](Cc2ccccc2)C1 218722936 FIGJQLHPEHGKCJ-UONOGXRCSA-N 276.380 2.423 70 30 CEIC O=S(=O)(Cl)c1cnc(C(F)(F)F)s1 236132754 YGIHILUSEZKMMC-UHFFFAOYSA-N 251.638 2.089 70 30 CEIC Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1CC(=O)O 97957411 UQDAOESMHOHCKA-UHFFFAOYSA-N 276.741 2.166 70 30 CEIC in-vitro O=S(=O)(Cl)c1c(Cl)ccc2c1OCCO2 218667072 BGEXXCZEPWWYSS-UHFFFAOYSA-N 269.105 2.039 70 30 CEIC COc1ccc(CCS(=O)(=O)Cl)cc1Cl 104673007 FYXZIOZXBBBFTB-UHFFFAOYSA-N 269.149 2.460 70 30 CEIC CC(C)(O)c1cc2c(cc1Br)OCO2 218322586 VYYPZUAQZZQOAN-UHFFFAOYSA-N 259.099 2.405 70 30 CEIC O=S(=O)(Cl)c1cnc2onc(C3CC3)c2c1 100459868 UOJGNCVZXPULDH-UHFFFAOYSA-N 258.686 2.028 70 30 CEIC in-vitro O=S(=O)(Cl)c1sc(Cl)nc1Cl 59245676 ZEZQYDKDJPFLNO-UHFFFAOYSA-N 252.531 2.377 70 30 CEIC in-vitro O=S(=O)(Cl)OC(F)(F)C(F)(F)Br 627281288 WSWXWAZXRZZZPI-UHFFFAOYSA-N 295.435 2.067 70 30 CEIC CCOc1ccc(C(C)=O)cc1S(=O)(=O)Cl 100863506 FWHHDDMOXZTIIL-UHFFFAOYSA-N 262.714 2.215 70 30 CEIC CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)Cl)C1 103597839 RENPBPBQYNJKOQ-SECBINFHSA-N 297.804 2.202 70 30 CEIC Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Cl 100100620 DBDYGJUVUJISSF-UHFFFAOYSA-N 269.105 2.274 70 30 CEIC in-vitro O=S(=O)(Cl)C[C@H]1CCC[C@H](C(F)(F)F)O1 675050799 MUHVKJWKILBCDH-PHDIDXHHSA-N 266.668 2.055 70 30 CEIC O=S(=O)(Oc1ccc2ccncc2c1)C(F)(F)F 59072270 PIWPQQGMFPDEON-UHFFFAOYSA-N 277.223 2.463 70 30 CEIC in-vitro COC(OC)[SiH2]OC(C)(C)[C@@H]1CC=C(C)CC1 195766679 IGFMDUQDRALDQJ-LLVKDONJSA-N 258.434 2.188 70 30 CEIC O=[N+]([O-])c1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1 328579345 BTNNGVAJVKAKAP-UHFFFAOYSA-N 288.668 2.177 70 30 CEIC COC(=O)c1c(Cl)cccc1S(=O)(=O)Cl 138558713 JCWPOAFRJQXRKG-UHFFFAOYSA-N 269.105 2.054 70 30 CEIC CCOC(=O)[C@H]1CC[C@@](F)(CS(=O)(=O)Cl)CC1 238853402 JQYBQMFDZDQZGN-CZMCAQCFSA-N 286.752 2.017 70 30 CEIC COc1cc(F)c(Cl)cc1S(=O)(=O)Cl 212610996 NIUYAGIYPKGILF-UHFFFAOYSA-N 259.085 2.415 70 30 CEIC N#CCc1ccc(S(=O)(=O)Cl)c(Cl)c1 133904125 BLQBCEZRDCNTOK-UHFFFAOYSA-N 250.106 2.334 70 30 CEIC C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Cl)ccc2S1 100104704 KOQPZJTYPVPIHW-ZCFIWIBFSA-N 291.781 2.437 70 30 CEIC CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)Cl)cc21 725343607 GCOYUAYUNJEZNS-MRVPVSSYSA-N 287.768 2.474 70 30 CEIC O=S(=O)(Cl)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 675050801 MUHVKJWKILBCDH-WDSKDSINSA-N 266.668 2.055 70 30 CEIC COC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1 59261963 SJINDARITXMCOD-UHFFFAOYSA-N 269.105 2.054 70 30 CEIC in-vitro COc1cc(Cl)c(S(=O)(=O)Cl)cc1OC 100645734 MDJHQHAIBSOFAM-UHFFFAOYSA-N 271.121 2.285 70 30 CEIC in-vitro CC(=O)N1CCc2cc(S(=O)(=O)Cl)c(Cl)cc21 100655741 LWFZBEXPTYKKMG-UHFFFAOYSA-N 294.159 2.177 70 30 CEIC in-vitro O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Cl)c1 59103391 BCBSUYNGKFZYTP-UHFFFAOYSA-N 274.056 2.315 70 30 CEIC in-vitro C[N+]1(CCN=C=N[C@H]2CC[C@@H](N=[N+]=[N-])CC2)CCOCC1 958538044 XLQKRUCWUMUMFU-OKILXGFUSA-N 293.395 2.259 70 30 CEIC Cc1c(Cl)cc(S(=O)(=O)Cl)cc1C(=O)O 216652649 JIHWMANJZOWREK-UHFFFAOYSA-N 269.105 2.274 70 30 CEIC O=[N+]([O-])c1cc(F)c(S(=O)(=O)Cl)cc1Cl 216656505 GLXIMRCHJALBHL-UHFFFAOYSA-N 274.056 2.315 70 30 CEIC COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Cl 97971464 WJXWQRAKSPMCOM-UHFFFAOYSA-N 298.147 2.235 70 30 CEIC in-vitro CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@@H](C2CC2)C1 217794386 OPPBYPZAECRLDS-NWDGAFQWSA-N 254.374 2.228 70 30 CEIC CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cl 100637216 QSKGCBCEKKUYPM-UHFFFAOYSA-N 254.138 2.255 70 30 CEIC in-vitro O=S(=O)(Cl)c1ccc(OC2CCOCC2)c(F)c1 100501840 FUBKPAAYHBWCKQ-UHFFFAOYSA-N 294.731 2.311 70 30 CEIC in-vitro Cc1sc(Br)nc1S(=O)(=O)Cl 584881103 LWMYESNUDKBXJB-UHFFFAOYSA-N 276.564 2.142 70 30 CEIC O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c2ncccc12 100489190 SYCSHDSCDLKMLC-UHFFFAOYSA-N 272.669 2.071 70 30 CEIC O=S(=O)(Cl)C[C@H]1CCC[C@@H](C(F)(F)F)O1 675050800 MUHVKJWKILBCDH-RITPCOANSA-N 266.668 2.055 70 30 CEIC COc1ccc(Cn2nc(C(=N)N)c3ccccc32)cc1 218703097 YHPZSFAPCRBNRU-UHFFFAOYSA-N 280.331 2.377 70 30 CEIC Cc1ccc(OC[C@H]2CCCO2)c(S(=O)(=O)Cl)c1 59108516 ZXIQBSIVKMBCMI-SNVBAGLBSA-N 290.768 2.480 70 30 CEIC in-vitro O=S(=O)(Cl)c1ccc(O)c(Br)c1 116932232 STKYSOLBHOVRHO-UHFFFAOYSA-N 271.519 2.082 70 30 CEIC O=[N+]([O-])c1ccc(Cl)c(CS(=O)(=O)Cl)c1 88251407 UZOYWZKZKRKZEU-UHFFFAOYSA-N 270.093 2.317 70 30 CEIC CCC[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C 199863499 AJQZSMPXBWLMPV-UHFFFAOYSA-N 296.664 2.335 70 30 CEIC C[C@@H]1CN(CCN=C=NC2CCCCC2)CCO1 34476841 YTRLWCFAHQZWNU-CYBMUJFWSA-N 251.374 2.214 70 30 CEIC COCOc1ccc(Cl)cc1S(=O)(=O)Cl 238852646 GUSJFLDNZNNXJF-UHFFFAOYSA-N 271.121 2.250 70 30 CEIC O=[N+]([O-])c1c(S(=O)(=O)Cl)ccc2ncccc12 105764463 BQSQILVPFIKOES-UHFFFAOYSA-N 272.669 2.071 70 30 CEIC O=S(=O)(Cl)CCSc1cnc2ccccc2n1 100457621 FTWCLTVKVJCHEK-UHFFFAOYSA-N 288.781 2.291 70 30 CEIC in-vitro CC1(C)OC(=O)c2cc(S(=O)(=O)Cl)ccc21 757120695 FGZBOCRJFCJTNB-UHFFFAOYSA-N 260.698 2.020 70 30 CEIC O=S(=O)(Cl)c1cc(Cl)cc2c1OCC2 97971336 QOCMCTGCKAMOPC-UHFFFAOYSA-N 253.106 2.202 70 30 CEIC in-vitro COC(=O)c1sc(S(=O)(=O)Cl)c(C)c1Cl 100549163 UCBROQXTHVRJEL-UHFFFAOYSA-N 289.161 2.424 70 30 CEIC COC(=O)C(C)(C)c1ccc(S(=O)(=O)Cl)cc1 100554137 NPFVNPWHDAQPEE-UHFFFAOYSA-N 276.741 2.065 70 30 CEIC COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Cl)c1 108297966 FQJPREUPYYUQSQ-UHFFFAOYSA-N 283.132 2.363 70 30 CEIC O=S(=O)(Cl)c1cc(F)ccc1OC(F)F 97972530 IWJHQWQEYHAZAC-UHFFFAOYSA-N 260.620 2.355 70 30 CEIC in-vitro Cc1cnn(-c2ccc(S(=O)(=O)Cl)cc2F)c1 100446655 KYUSOFYEUSLTIA-UHFFFAOYSA-N 274.704 2.247 70 30 CEIC in-vitro O=S(=O)(Cl)Cc1ccc(C(F)(F)F)nc1 101779999 SDURBVICPBSGGG-UHFFFAOYSA-N 259.636 2.169 70 30 CEIC CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCNC1 218526510 DZTYUFHLEYKZKV-VIFPVBQESA-N 264.316 2.241 70 30 CEIC Cc1ccc(-n2cc(S(=O)(=O)Cl)cn2)cc1 59312437 FMEKZRSGKWLBIX-UHFFFAOYSA-N 256.714 2.108 70 30 CEIC in-vitro COC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1OC 106460544 XJUBQEQOGYVOIN-UHFFFAOYSA-N 299.131 2.063 70 30 CEIC CCOC(=O)C1CCC(F)(CS(=O)(=O)Cl)CC1 238853403 JQYBQMFDZDQZGN-UHFFFAOYSA-N 286.752 2.017 70 30 CEIC O=S(=O)(Cl)c1csc(C(F)(F)F)n1 675075273 KGUUYWVJQUNXFK-UHFFFAOYSA-N 251.638 2.089 70 30 CEIC O=S(=O)(Cl)c1cccc2c1ccc1nnoc12 103820495 PEANXEYQMOELEQ-UHFFFAOYSA-N 268.681 2.304 70 30 CEIC CCOC(=O)[C@H]1CC[C@](F)(CS(=O)(=O)Cl)CC1 238853405 JQYBQMFDZDQZGN-WAAGHKOSSA-N 286.752 2.017 70 30 CEIC C[C@H]1CN(CCN=C=NC2CCCCC2)CCO1 34476842 YTRLWCFAHQZWNU-ZDUSSCGKSA-N 251.374 2.214 70 30 CEIC Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1Cl 100463189 GMMIWQVVPGTYHB-UHFFFAOYSA-N 269.105 2.274 70 30 CEIC COCc1cc(F)c(S(=O)(=O)Cl)c(F)c1 2265381432 XMACTZBBXSHYHN-UHFFFAOYSA-N 256.657 2.039 70 30 CEIC CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1 59262123 SUEZEBLIQMOCLB-UHFFFAOYSA-N 283.132 2.444 70 30 CEIC in-vitro COC(=O)c1c(C)sc(C)c1S(=O)(=O)Cl 958679811 XOOQSMSPHSEKEN-UHFFFAOYSA-N 268.743 2.079 70 30 CEIC N#Cc1cc(Cl)ccc1CS(=O)(=O)Cl 97945864 DBZUNKUCNWEEKB-UHFFFAOYSA-N 250.106 2.280 70 30 CEIC in-vitro COC(=O)CCc1ccc(Br)cc1N 218289879 CDIGEOBNNRLUSV-UHFFFAOYSA-N 258.115 2.137 70 30 CEIC Cc1ccc(OC[C@@H]2CCCO2)c(S(=O)(=O)Cl)c1 59108515 ZXIQBSIVKMBCMI-JTQLQIEISA-N 290.768 2.480 70 30 CEIC in-vitro O=S(=O)(Cl)c1c(Br)ccc2c1OCO2 958678175 GOKZUQQEUODVBQ-UHFFFAOYSA-N 299.529 2.105 70 30 CEIC O=S(=O)(Cl)c1ccc(OC[C@@H]2CCOC2)c(F)c1 100490023 HFOTUGCDSIFJEC-MRVPVSSYSA-N 294.731 2.169 70 30 CEIC in-vitro COc1c(Br)cccc1S(=O)(=O)Cl 106943428 JMNPYNBAUDBKPV-UHFFFAOYSA-N 285.546 2.385 70 30 CEIC O=C(O)c1ccc(S(=O)(=O)Cl)cc1Br 100654922 IYVCPLAPEBDDBD-UHFFFAOYSA-N 299.529 2.075 70 30 CEIC in-vitro CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cl)CC1 103594458 AYOXDBOOFYZYJD-UHFFFAOYSA-N 297.804 2.202 70 30 CEIC in-vitro CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 100560501 OCYJQXPEALAXAZ-UHFFFAOYSA-N 296.797 2.186 70 30 CEIC CC1(C)Cc2cc(S(=O)(=O)Cl)ccc2NC1=O 100464680 VUXLVVDLLQRTCD-UHFFFAOYSA-N 273.741 2.135 70 30 CEIC COc1ccc(Cl)c(OC)c1S(=O)(=O)Cl 149808499 JOJNRDCALXLXJY-UHFFFAOYSA-N 271.121 2.285 70 30 CEIC in-vitro O=S(=O)(Cl)c1ccc(OC[C@H]2CCOC2)c(F)c1 100490029 HFOTUGCDSIFJEC-QMMMGPOBSA-N 294.731 2.169 70 30 CEIC in-vitro CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)Cl 669371768 ZRYFAGVIHLEQJW-QWRGUYRKSA-N 260.742 2.258 70 30 CEIC COc1cccc(S(=O)(=O)Cl)c1Br 106943430 ORTNPHSZRKQVPB-UHFFFAOYSA-N 285.546 2.385 70 30 CEIC O=C(O)c1ccc(S(=O)(=O)Cl)c(Br)c1 100503839 GPWHRNMCQJYAAJ-UHFFFAOYSA-N 299.529 2.075 70 30 CEIC COc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)n1 135273634 SOFPUAGWEYFBAJ-UHFFFAOYSA-N 275.635 2.037 70 30 CEIC Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1Cl 59266838 XSAANHICTIQCKE-UHFFFAOYSA-N 270.093 2.484 70 30 CEIC in-vitro O=C(O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F 100461045 XLFHWFRZFVYVOF-UHFFFAOYSA-N 288.630 2.331 70 30 CEIC in-vitro O=S(=O)(Cl)C1CC(OCc2ccccc2)C1 117374691 AUYZABLHRWXAHI-UHFFFAOYSA-N 260.742 2.303 70 30 CEIC O=S(=O)(Cl)c1ccc2onc(Cl)c2c1 114408736 PPDYZUUVNYMHPJ-UHFFFAOYSA-N 252.078 2.409 70 30 CEIC O=S(=O)(Cl)c1c[nH]c2cc(Br)cnc12 714556255 IADHSLJSZSGSCK-UHFFFAOYSA-N 295.545 2.253 70 30 CEIC COC(=O)c1cc(C(=O)CBr)cs1 34426842 JONVBZSBGOIKNB-UHFFFAOYSA-N 263.112 2.112 70 30 CEIC O=C(O)c1cc(S(=O)(=O)Cl)c(F)c(Cl)c1F 97956516 KCGJIJAMKVYHPL-UHFFFAOYSA-N 291.058 2.244 70 30 CEIC in-vitro CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)Cl)cc21 725343608 GCOYUAYUNJEZNS-QMMMGPOBSA-N 287.768 2.474 70 30 CEIC