smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569822 MFZQLBZITXMKOM-QMXMUAKLSA-N 446.496 4.218 70 1 IIIF CCc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl 586927671 QEIMVHYKQYPTCG-UHFFFAOYSA-N 444.694 4.391 70 1 IIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/S(=O)(=O)Cl)cc1 587895270 DUKCXEXRRUKEGV-PKNBQFBNSA-N 442.751 4.243 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850610 QTSKOWBFJIXTTP-DYZYQPBXSA-N 432.742 4.313 70 1 IIIF C[C@@H](C(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587479 SNXBOCCELSHYNL-SSDOTTSWSA-N 448.366 4.133 70 1 IIIF N#Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586928040 WZNXBIZPPQXXNC-UHFFFAOYSA-N 431.098 4.445 70 1 IIIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)Cl)C2(C)C 587489616 VHMQISRKMZPKFU-HBUDHLSFSA-N 426.962 4.444 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587845994 CIOCPCICMFZXAY-DYZYQPBXSA-N 432.742 4.313 70 1 IIIF Cc1cc(S(=O)(=O)Cl)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587895716 HVEICRTWMHBFME-UHFFFAOYSA-N 444.767 4.248 70 1 IIIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c(S(=O)(=O)Cl)c1 587894946 AUWYCNOFYGMKLJ-UHFFFAOYSA-N 444.767 4.248 70 1 IIIF O=S(=O)(Cl)c1ccc2c(c1)[C@]1(CCO2)c2ccsc2CCN1Cc1ccco1 962707719 OBIZPGBLXYYWEN-FQEVSTJZSA-N 435.954 4.353 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586925340 OORAGERHTHQCHN-UHFFFAOYSA-N 437.207 4.141 70 1 IIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Cl 586926095 MHZFQHHUDWJWJA-UHFFFAOYSA-N 431.610 4.225 70 1 IIIF O=S(=O)(Cl)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Cl 586927569 HDEPLUPHDXYOQH-UHFFFAOYSA-N 431.610 4.225 70 1 IIIF COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 49771234 HEIXVPWXEKAWEG-SSTWWWIQSA-N 434.476 4.141 70 1 IIIF CCOC(=O)[C@@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 71329732 WSHFELKLJPLBJG-KRWDZBQOSA-N 445.459 4.167 70 1 IIIF Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1 218426771 ZRBIBMLFZDCZSU-MAUKXSAKSA-N 444.461 4.095 70 1 IIIF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(S(=O)(=O)Cl)cc12 587606636 IMWBEQOEDPQRDX-SIKLNZKXSA-N 442.876 4.123 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587848877 JBMHHLRNLXRCQM-XTZNXHDOSA-N 444.753 4.240 70 1 IIIF Cc1cc(F)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587893431 SSDKOKYKYXLQBI-UHFFFAOYSA-N 448.730 4.079 70 1 IIIF CCOc1ccc(-c2cc3oc(=O)cc(C)c3cc2OS(=O)(=O)C(F)(F)F)cc1 1772571740 ZYAYWBAAEHDVIG-UHFFFAOYSA-N 428.384 4.396 70 1 IIIF O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(F)c1Cl 217376603 DBHQTGWJHCEZNO-AWEZNQCLSA-N 431.817 4.228 70 1 IIIF COc1ccc(Cl)cc1C#Cc1sc(Br)cc1S(=O)(=O)Cl 587918456 SCRSQGGEBFNHMP-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850609 QTSKOWBFJIXTTP-BTDLBPIBSA-N 432.742 4.313 70 1 IIIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1C 587896246 NPLMBTUFRGWSGQ-UHFFFAOYSA-N 444.767 4.248 70 1 IIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569824 MFZQLBZITXMKOM-XLIBOJQPSA-N 446.496 4.218 70 1 IIIF C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332289 DAKZUDATGCOAQI-IFMALSPDSA-N 430.428 4.464 70 1 IIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(/C=C/S(=O)(=O)Cl)c1 587896167 LQEARZZOKNKHPK-CSKARUKUSA-N 442.751 4.243 70 1 IIIF Cc1cc(S(=O)(=O)Cl)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587897014 ZHSJCMQGWNEQAK-UHFFFAOYSA-N 436.769 4.001 70 1 IIIF O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1c(F)cccc1Cl 217376713 NEIYKUQZCAIFPQ-CYBMUJFWSA-N 431.817 4.228 70 1 IIIF CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1-3 36187806 VFZQJEHONJLING-MRXNPFEDSA-N 441.471 4.456 70 1 IIIF COc1cc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925590 TXCAMOXFPKUFLG-UHFFFAOYSA-N 435.716 4.405 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850608 QTSKOWBFJIXTTP-BMLIUANNSA-N 432.742 4.313 70 1 IIIF C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606262 GRUCNSZVFFWUCL-WIYYLYMNSA-N 430.865 4.197 70 1 IIIF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)[C@@H](C2)C3=O 587448895 MQMINJCZTIXTKW-FDDCHVKYSA-N 440.904 4.314 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)O2 587409741 OBZFYFXZAJGCKK-JOCHJYFZSA-N 427.909 4.414 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587851524 XAMCMFKBLPFIBR-BMLIUANNSA-N 432.742 4.313 70 1 IIIF O=S(=O)(Cl)c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl 586927970 UVHZDMQZXCTMDR-UHFFFAOYSA-N 431.610 4.225 70 1 IIIF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448469 JJHVGZQVSZDNIW-YJYMSZOUSA-N 427.305 4.329 70 1 IIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586926348 KRGRNXKLLDMLAJ-UHFFFAOYSA-N 446.113 4.450 70 1 IIIF CCOC(=O)[C@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 71329733 WSHFELKLJPLBJG-QGZVFWFLSA-N 445.459 4.167 70 1 IIIF CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586929161 QOPGIZWMBCKRJW-UHFFFAOYSA-N 427.309 4.225 70 1 IIIF COc1ccc2c(c1)[C@](c1cccc(S(=O)(=O)Cl)c1)(c1ccccn1)N[C@H]1CC[C@@H]21 962999413 YCKREPCXQFTBAG-IEIRFRATSA-N 440.952 4.159 70 1 IIIF COc1ccccc1N1CCN(CCCCc2cn(-c3ccc(SC)cc3)nn2)CC1 217346658 XZONNCQQDNOYMJ-UHFFFAOYSA-N 437.613 4.143 70 1 IIIF Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1 218426869 SJFIWVQBOPVOBS-MAUKXSAKSA-N 444.461 4.095 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587850611 QTSKOWBFJIXTTP-QGHHPUGFSA-N 432.742 4.313 70 1 IIIF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c21 587180816 NJTXAOGNZHLTOD-UHFFFAOYSA-N 440.839 4.317 70 1 IIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1Cl 586927309 WNMIRSBRVHEDSW-UHFFFAOYSA-N 428.341 4.060 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587739039 SLKJTLCLNJMDRO-GMBROJJHSA-N 448.373 4.443 70 1 IIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1 586925674 AHRABPCDXIAZFL-UHFFFAOYSA-N 425.066 4.107 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587848878 JBMHHLRNLXRCQM-YPMLDQLKSA-N 444.753 4.240 70 1 IIIF COc1ccc(-n2cnc3cc(OC)cc(OS(=O)(=O)C(F)(F)F)c3c2=S)cc1 14972385 FOXPGTILWFSLNN-UHFFFAOYSA-N 446.428 4.001 70 1 IIIF O=C(c1ccc(CN2C(=O)N[C@H]3CCCC[C@H]3C2=O)cc1)N1CC=C(c2ccccc2)CC1 217226341 NDVHJLSYCZFJOX-RPWUZVMVSA-N 443.547 4.227 70 1 IIIF COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)C[C@@H](C(=O)NC1CC1)CC3 218341024 SHVQJWCQJWHQOK-JTQLQIEISA-N 446.338 4.400 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849192 KAYULHDZWFOZSV-QGHHPUGFSA-N 432.742 4.313 70 1 IIIF COc1cccc2c3c(cnc12)CCN[C@@]31CCc2cc(Cl)c(S(=O)(=O)Cl)cc21 963027702 AIPUZJPLXXVJBQ-OAQYLSRUSA-N 449.359 4.160 70 1 IIIF CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl 587895348 FLTYWXNNMQVTMM-UHFFFAOYSA-N 444.767 4.194 70 1 IIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531757 LXPCHNBTDMQUHQ-QFIPXVFZSA-N 440.908 4.051 70 1 IIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Cl 586926760 POZODPKSWMQHQO-UHFFFAOYSA-N 425.272 4.444 70 1 IIIF O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(F)c1Cl 217376537 DBHQTGWJHCEZNO-CQSZACIVSA-N 431.817 4.228 70 1 IIIF CCOCCOc1ccc(C#Cc2cc(Cl)ccc2OC)cc1S(=O)(=O)Cl 587918252 JAOZRELWPLJIBX-UHFFFAOYSA-N 429.321 4.091 70 1 IIIF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)Cl)C2(C)C 587489643 VHMQISRKMZPKFU-UBWHGVKJSA-N 426.962 4.444 70 1 IIIF O=S(=O)(Cl)c1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1Cl 586928305 VLOYVEWSOFYAPY-UHFFFAOYSA-N 425.066 4.107 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586925701 VCBXKDIDZHKARD-UHFFFAOYSA-N 426.203 4.233 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587851527 XAMCMFKBLPFIBR-BTDLBPIBSA-N 432.742 4.313 70 1 IIIF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C 587489637 VHMQISRKMZPKFU-PZVFOTJXSA-N 426.962 4.444 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849188 KAYULHDZWFOZSV-BTDLBPIBSA-N 432.742 4.313 70 1 IIIF C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606012 FRNSRCFCGKMRLM-WIYYLYMNSA-N 430.865 4.197 70 1 IIIF C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606260 GRUCNSZVFFWUCL-NQIIRXRSSA-N 430.865 4.197 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)O2 587409584 MRJFJYXLFMKWJK-QGZVFWFLSA-N 444.734 4.148 70 1 IIIF COc1cc(OS(=O)(=O)C(F)(F)F)cc2c1CN(Cc1ccccc1)C(C)(C)C2 49877817 RUGNGEVRDNMXDL-UHFFFAOYSA-N 429.460 4.261 70 1 IIIF COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3c(c12)C[C@H](C(=O)NC1CC1)CC3 218341104 SHVQJWCQJWHQOK-SNVBAGLBSA-N 446.338 4.400 70 1 IIIF CCc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)Cl 586926783 FMIRHCQYSKSUSS-UHFFFAOYSA-N 443.706 4.181 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587739040 SLKJTLCLNJMDRO-PMWUCFBVSA-N 448.373 4.443 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587845992 CIOCPCICMFZXAY-BMLIUANNSA-N 432.742 4.313 70 1 IIIF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)[C@@H](C2)C3=O 587448896 MQMINJCZTIXTKW-MBSDFSHPSA-N 440.904 4.314 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586925692 USAZRQNKMGDWCS-UHFFFAOYSA-N 426.203 4.233 70 1 IIIF O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCOCC1)c1cccc(Cl)c1Cl 217370350 XVRIONFSORODKW-UHFFFAOYSA-N 434.245 4.280 70 1 IIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1 586926518 LWJYGNNBJVFJRE-UHFFFAOYSA-N 436.114 4.066 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586925740 VNGSHGIEMBEAKJ-UHFFFAOYSA-N 429.178 4.376 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587851901 YBZAUBDVEFUAJS-MLCYQJTMSA-N 444.753 4.240 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587851533 XAMCMFKBLPFIBR-QGHHPUGFSA-N 432.742 4.313 70 1 IIIF COc1ccc2c(c1)[C@](c1cccc(S(=O)(=O)Cl)c1)(c1ccccn1)N[C@@H]1CC[C@H]21 962999418 YCKREPCXQFTBAG-KJXAQDMKSA-N 440.952 4.159 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587848875 JBMHHLRNLXRCQM-MGNBDDOMSA-N 444.753 4.240 70 1 IIIF C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332298 DAKZUDATGCOAQI-RBBKRZOGSA-N 430.428 4.464 70 1 IIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(Br)s1 587918310 MDARUTFSYYTWDL-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF O=C(c1ccc(CN2C(=O)N[C@@H]3CCCC[C@H]3C2=O)cc1)N1CC=C(c2ccccc2)CC1 217226349 NDVHJLSYCZFJOX-DNQXCXABSA-N 443.547 4.227 70 1 IIIF N#Cc1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586928097 PVGNGNZJBXDGCU-UHFFFAOYSA-N 431.098 4.445 70 1 IIIF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(S(=O)(=O)Cl)cc12 587606634 IMWBEQOEDPQRDX-KNQAVFIVSA-N 442.876 4.123 70 1 IIIF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C)c1OS(=O)(=O)C(F)(F)F 587914453 FZGWIMSZKFQEEF-UHFFFAOYSA-N 449.790 4.193 70 1 IIIF C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606011 FRNSRCFCGKMRLM-RXVVDRJESA-N 430.865 4.197 70 1 IIIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)s1 587896187 MBIUEXOHUWTNMI-UHFFFAOYSA-N 436.769 4.001 70 1 IIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569821 MFZQLBZITXMKOM-KLLUNRAKSA-N 446.496 4.218 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849186 KAYULHDZWFOZSV-BMLIUANNSA-N 432.742 4.313 70 1 IIIF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C(OS(=O)(=O)C(F)(F)F)CC3 586985938 HPCXINHOLREHPB-UHFFFAOYSA-N 447.390 4.305 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1S(=O)(=O)Cl)O2 587409743 OBZFYFXZAJGCKK-QFIPXVFZSA-N 427.909 4.414 70 1 IIIF CN(C)C(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925675 IXVFDCIDXKGSSZ-UHFFFAOYSA-N 432.716 4.166 70 1 IIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(I)cc3[nH]2)c1 587178199 UZMFXIGZPFAQJI-UHFFFAOYSA-N 436.633 4.146 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)O2 587408738 IFZLMYANMSLTGB-QFIPXVFZSA-N 427.909 4.414 70 1 IIIF O[C@@H]1Cc2c(F)cc(F)cc2[C@H]1n1nc(-c2ccc(F)cc2)c2c1CCN(CC1CC1)C2 217901258 OQKLLUAGGCNFBT-ILBGXUMGSA-N 439.481 4.242 70 1 IIIF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C 587489605 VHMQISRKMZPKFU-DYXDTQHNSA-N 426.962 4.444 70 1 IIIF COc1ccc2c(c1)[C@](c1cccc(S(=O)(=O)Cl)c1)(c1ccccn1)N[C@@H]1CC[C@@H]21 962999424 YCKREPCXQFTBAG-XKCSPQBFSA-N 440.952 4.159 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587851530 XAMCMFKBLPFIBR-DYZYQPBXSA-N 432.742 4.313 70 1 IIIF C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606261 GRUCNSZVFFWUCL-RXVVDRJESA-N 430.865 4.197 70 1 IIIF COc1cc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925197 MVTDNYNJULBQSM-UHFFFAOYSA-N 434.823 4.117 70 1 IIIF Cc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587895860 KFTNBYCIAVGWGW-UHFFFAOYSA-N 436.769 4.001 70 1 IIIF O=C(O)COC/C=C\C[C@@H]1[C@@H](c2ccc([C@@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137014675 RNUFHJVSBQBJQC-GRSHZHGBSA-N 436.976 4.420 70 1 IIIF COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cncc(C)c4)ccc3C)cnc2[nH]1 217123199 PETXUEAQAAFDJC-UHFFFAOYSA-N 429.480 4.226 70 1 IIIF COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1 586928388 YZKIULQGARUGNH-UHFFFAOYSA-N 443.706 4.015 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587738001 JDZWHHBMOITWFJ-GMBROJJHSA-N 448.373 4.443 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587738002 JDZWHHBMOITWFJ-PMWUCFBVSA-N 448.373 4.443 70 1 IIIF C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606009 FRNSRCFCGKMRLM-GHTZIAJQSA-N 430.865 4.197 70 1 IIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)sc1Br 587918486 UEKCEGJZCCAMGZ-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF Cn1cc(-c2ccc(N3CCC(n4c(C(F)(F)F)nc5ccccc54)CC3)nn2)cn1 218759940 ZMGNXVRCIBVBIU-UHFFFAOYSA-N 427.434 4.087 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587739041 SLKJTLCLNJMDRO-ZPBHSWEXSA-N 448.373 4.443 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587738000 JDZWHHBMOITWFJ-DRJHQHNCSA-N 448.373 4.443 70 1 IIIF COc1cccc2c3c(cnc12)CCN[C@]31CCc2cc(Cl)c(S(=O)(=O)Cl)cc21 963027691 AIPUZJPLXXVJBQ-NRFANRHFSA-N 449.359 4.160 70 1 IIIF Cc1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)ccc1S(=O)(=O)Cl 586928341 XVMGFAYREQIHQS-UHFFFAOYSA-N 436.876 4.241 70 1 IIIF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 586924452 FACAIQYILYFJJQ-UHFFFAOYSA-N 449.699 4.259 70 1 IIIF O=C(O)c1cc(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587177797 ACNAJIYTVRMHEO-UHFFFAOYSA-N 433.642 4.002 70 1 IIIF O=C(c1ccc(CN2C(=O)N[C@H]3CCCC[C@@H]3C2=O)cc1)N1CC=C(c2ccccc2)CC1 217226345 NDVHJLSYCZFJOX-ZEQRLZLVSA-N 443.547 4.227 70 1 IIIF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587177809 ANTTYMGYPRUAEE-UHFFFAOYSA-N 434.630 4.212 70 1 IIIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1/C=C/S(=O)(=O)Cl 587895813 JNMUEHBVNSREDK-PKNBQFBNSA-N 442.751 4.243 70 1 IIIF C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332297 DAKZUDATGCOAQI-IRLDBZIGSA-N 430.428 4.464 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587851905 YBZAUBDVEFUAJS-YPMLDQLKSA-N 444.753 4.240 70 1 IIIF CCOC(=O)C(C(=O)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 96929990 PSHATOHCYFHHIK-UHFFFAOYSA-N 432.500 4.331 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586924458 FAYRBBYYILUIOX-UHFFFAOYSA-N 441.271 4.144 70 1 IIIF COc1ccc(-c2nc3ccccc3c(=Nc3cccc(S(=O)(=O)F)c3)[nH]2)cc1OC 1857636593 TVLUSQOSWMGZFO-UHFFFAOYSA-N 439.468 4.138 70 1 IIIF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587177865 DATAZETXDUQYEN-UHFFFAOYSA-N 434.630 4.212 70 1 IIIF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(S(=O)(=O)Cl)cc12 587606632 IMWBEQOEDPQRDX-DENIHFKCSA-N 442.876 4.123 70 1 IIIF N#Cc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926805 QHYFYMKOIKGPJL-UHFFFAOYSA-N 431.098 4.445 70 1 IIIF C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332300 DAKZUDATGCOAQI-UNMCSNQZSA-N 430.428 4.464 70 1 IIIF COc1cc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924718 HPRAGOXMGBLQSD-UHFFFAOYSA-N 435.716 4.405 70 1 IIIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531756 LXPCHNBTDMQUHQ-JOCHJYFZSA-N 440.908 4.051 70 1 IIIF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CC2=O 587463935 DMFCHOVMFKTBQE-IBGZPJMESA-N 444.427 4.454 70 1 IIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569823 MFZQLBZITXMKOM-XHJKUMLUSA-N 446.496 4.218 70 1 IIIF N#Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926722 OPWCLEPYIVFMHR-UHFFFAOYSA-N 431.098 4.445 70 1 IIIF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448468 JJHVGZQVSZDNIW-BFUOFWGJSA-N 427.305 4.329 70 1 IIIF CCc1ccc(-c2nc3cccc(I)c3[nH]2)cc1S(=O)(=O)Cl 586927830 SFDSNCRTPRHCGO-UHFFFAOYSA-N 446.697 4.324 70 1 IIIF NC1=N[C@](CF)(c2cc(Nc3nccc4cc(Cl)cnc34)cc(F)c2F)[C@H]2C[C@H]2O1 217609280 VZDXLWUBRGHQQW-VHPWJVAPSA-N 433.821 4.203 70 1 IIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587178091 PNIGIGAWPLQYLF-UHFFFAOYSA-N 425.066 4.352 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587845995 CIOCPCICMFZXAY-QGHHPUGFSA-N 432.742 4.313 70 1 IIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531175 IVJVFWRQCQLHTF-JOCHJYFZSA-N 440.908 4.020 70 1 IIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586924684 HGASGVYKCXPAFN-UHFFFAOYSA-N 436.660 4.381 70 1 IIIF Cc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587893464 UYJCAVWMCFQANZ-UHFFFAOYSA-N 448.730 4.079 70 1 IIIF CN(C)CCOc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925615 HQESSCBOHQZLEH-UHFFFAOYSA-N 448.759 4.405 70 1 IIIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587848876 JBMHHLRNLXRCQM-MLCYQJTMSA-N 444.753 4.240 70 1 IIIF COc1cc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925690 URXJZKMLOVVYGW-UHFFFAOYSA-N 434.823 4.117 70 1 IIIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#Cc2cc(Cl)ccc2OC)cc1Cl 587918552 WIPODRVYVZLWJU-UHFFFAOYSA-N 433.696 4.116 70 1 IIIF Cc1cc(-c2nc3cc(I)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928248 SFKJXOGRBVHJDP-UHFFFAOYSA-N 432.670 4.070 70 1 IIIF O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1c(F)cccc1Cl 217376797 NEIYKUQZCAIFPQ-ZDUSSCGKSA-N 431.817 4.228 70 1 IIIF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587448318 IEEFXIPJDYBXKA-CVDCTZTESA-N 440.904 4.314 70 1 IIIF Cc1cc(C)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896466 PKHGLYZPCAOBBL-UHFFFAOYSA-N 444.767 4.248 70 1 IIIF COC(=O)c1cc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2cc1OC 586925498 FMIAJJSJUXKLOK-UHFFFAOYSA-N 449.699 4.259 70 1 IIIF CCc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Cl 586927386 LXNICJYSJMDKCF-UHFFFAOYSA-N 444.694 4.391 70 1 IIIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1S(=O)(=O)Cl 587897015 ZHVFTTMOPUREOD-UHFFFAOYSA-N 444.767 4.248 70 1 IIIF COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Cl)cc1Br 587918226 HRUBIGRDDJNXKB-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF COc1ccc(Cl)cc1C#Cc1csc(S(=O)(=O)Cl)c1Br 587918326 NCISGKBATBFBDB-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532865 QBWIXNSZWCEFAM-QFIPXVFZSA-N 448.924 4.218 70 1 IIIF C[C@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1 218477033 OINBAOCGCFMUJR-WMLDXEAASA-N 436.903 4.167 70 1 IIIF COc1cc(C2=C(c3ccccc3)[C@@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC 195222271 IBRDZWZIICWWFP-SFHVURJKSA-N 426.585 4.283 70 1 IIIF O=C(c1ccc(CN2C(=O)N[C@@H]3CCCC[C@@H]3C2=O)cc1)N1CC=C(c2ccccc2)CC1 217226454 NDVHJLSYCZFJOX-BJKOFHAPSA-N 443.547 4.227 70 1 IIIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1 586926638 NOTSNYQFGVQJDP-UHFFFAOYSA-N 442.509 4.017 70 1 IIIF Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927983 NDGNNOPSOQSPFQ-UHFFFAOYSA-N 430.667 4.137 70 1 IIIF COc1cc(C2=C(c3ccccc3)[C@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC 195222278 IBRDZWZIICWWFP-GOSISDBHSA-N 426.585 4.283 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)O2 587409583 MRJFJYXLFMKWJK-KRWDZBQOSA-N 444.734 4.148 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)Cl)cc2)N1 587849190 KAYULHDZWFOZSV-DYZYQPBXSA-N 432.742 4.313 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587851903 YBZAUBDVEFUAJS-XTZNXHDOSA-N 444.753 4.240 70 1 IIIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531176 IVJVFWRQCQLHTF-QFIPXVFZSA-N 440.908 4.020 70 1 IIIF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)Cl)c2)N1 587845993 CIOCPCICMFZXAY-BTDLBPIBSA-N 432.742 4.313 70 1 IIIF Cc1cc(-c2nc3c(I)cccc3[nH]2)ccc1S(=O)(=O)Cl 586928289 UWCQXIVUQSZOAJ-UHFFFAOYSA-N 432.670 4.070 70 1 IIIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C 587489631 VHMQISRKMZPKFU-OBVPDXSSSA-N 426.962 4.444 70 1 IIIF COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178250 XEVAUKUMOMESNK-UHFFFAOYSA-N 447.669 4.091 70 1 IIIF CCOC(=O)C(C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 96929994 LQDKOEDWRVWZBJ-UHFFFAOYSA-N 442.451 4.192 70 1 IIIF C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606259 GRUCNSZVFFWUCL-GHTZIAJQSA-N 430.865 4.197 70 1 IIIF N[C@@H](CC(=O)N1CCNc2cc(C(F)(F)F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 218112308 CEWZVUVMVNRREY-KXBFYZLASA-N 439.428 4.185 70 1 IIIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C2(C)C 587489624 VHMQISRKMZPKFU-JDORSLCVSA-N 426.962 4.444 70 1 IIIF C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606010 FRNSRCFCGKMRLM-NQIIRXRSSA-N 430.865 4.197 70 1 IIIF O=C1CCc2cc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3cc2N1 586925323 DQXDWUBAIRMMRM-UHFFFAOYSA-N 430.700 4.349 70 1 IIIF COC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1OC 586926465 PIQNKNIOEIXURY-UHFFFAOYSA-N 449.699 4.259 70 1 IIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(I)c3[nH]2)c1 587177890 FAVGKGXMNUYZTG-UHFFFAOYSA-N 436.633 4.146 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587738003 JDZWHHBMOITWFJ-ZPBHSWEXSA-N 448.373 4.443 70 1 IIIF O=C(O)COC/C=C\C[C@@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137014636 RNUFHJVSBQBJQC-CHHZWTLRSA-N 436.976 4.420 70 1 IIIF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)O2 587408737 IFZLMYANMSLTGB-JOCHJYFZSA-N 427.909 4.414 70 1 IIIF COc1ccc(Cl)cc1C#Cc1cc2nc(O)oc2c(Cl)c1S(=O)(=O)Cl 587918209 GUTYOEYCNDWCPS-UHFFFAOYSA-N 432.668 4.176 70 1 IIIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)N1 587851900 YBZAUBDVEFUAJS-MGNBDDOMSA-N 444.753 4.240 70 1 IIIF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CC2=O 587463941 DMFCHOVMFKTBQE-LJQANCHMSA-N 444.427 4.454 70 1 IIIF COc1cc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925368 PANDRSVEFFESJR-UHFFFAOYSA-N 437.251 4.030 70 1 IIIF CCc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1S(=O)(=O)Cl 586926914 HBPHNTVQHJZECF-UHFFFAOYSA-N 425.219 4.134 70 1 IIIF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O 587448319 IEEFXIPJDYBXKA-WMZHIEFXSA-N 440.904 4.314 70 1 IIIF COc1ccc(Cl)cc1C#Cc1c(Br)csc1S(=O)(=O)Cl 587918305 LUECUOFLYGQRIP-UHFFFAOYSA-N 426.140 4.500 70 1 IIIF C[C@@H]1[C@H](Nc2nc3cc(Cl)ccc3o2)CCCN1C(=O)c1ccccc1-n1nccn1 218509276 OINBAOCGCFMUJR-RHSMWYFYSA-N 436.903 4.167 70 1 IIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1Cl 586926511 LUOVXBHPRKBUNG-UHFFFAOYSA-N 439.093 4.416 70 1 IIIF CCc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1S(=O)(=O)Cl 586926829 GEYZSNUJKKUOBV-UHFFFAOYSA-N 446.697 4.324 70 1 IIIF O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532859 QBWIXNSZWCEFAM-JOCHJYFZSA-N 448.924 4.218 70 1 IIIF Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586928013 NUNAPTQZFWVIAW-UHFFFAOYSA-N 430.667 4.137 70 1 IIIF O=S(=O)(Cl)c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl 586927819 SCIMNLCDJFQVOI-UHFFFAOYSA-N 425.066 4.107 70 1 IIIF COc1ccc2c(c1)[C@](c1cccc(S(=O)(=O)Cl)c1)(c1ccccn1)N[C@H]1CC[C@H]21 962999420 YCKREPCXQFTBAG-UNWVZKJWSA-N 440.952 4.159 70 1 IIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587177798 ADLGSFMWRKHEEL-UHFFFAOYSA-N 425.066 4.352 70 1 IIIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)F)C3(C)C)N1 587739038 SLKJTLCLNJMDRO-DRJHQHNCSA-N 448.373 4.443 70 1 IIIF COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccnc(C)c4)ccc3C)cnc2[nH]1 217125785 ATPCLUWFXFPEAP-UHFFFAOYSA-N 429.480 4.226 70 1 IIIF O=S(=O)(Cl)c1ccc2c(c1)[C@@]1(CCO2)c2ccsc2CCN1Cc1ccco1 962707732 OBIZPGBLXYYWEN-HXUWFJFHSA-N 435.954 4.353 70 1 IIIF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(S(=O)(=O)Cl)cc12 587606637 IMWBEQOEDPQRDX-UGKGYDQZSA-N 442.876 4.123 70 1 IIIF