smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C)cc2[nH]1 586925338 ONZYNCYZGQUBQX-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF O=S(=O)(Cl)c1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1Cl 586927840 KXAAOGCWJYOESP-UHFFFAOYSA-N 361.637 4.464 70 1 FIIF C=CCc1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 587180004 CZJHWYAPTAZFLJ-UHFFFAOYSA-N 350.802 4.270 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(C)s1 587918337 NJBZTEIKECNLIT-UHFFFAOYSA-N 361.271 4.046 70 1 FIIF COc1ccc(Cl)cc1C#Cc1ccccc1/C=C/S(=O)(=O)Cl 587918235 HXTYOFWXNSSKOQ-ZHACJKMWSA-N 367.253 4.288 70 1 FIIF COc1ccc(Cl)cc1C#Cc1ccc(/C=C/S(=O)(=O)Cl)cc1 587918215 HBFSRUJNJVXTKP-ZHACJKMWSA-N 367.253 4.288 70 1 FIIF CCc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586926553 BGIYZJXCSXYIJP-UHFFFAOYSA-N 355.246 4.373 70 1 FIIF N#Cc1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 587178261 XXAPITCXKKULJK-UHFFFAOYSA-N 370.192 4.067 70 1 FIIF Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1C 586928320 WMFVCWHDPAFYGN-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(F)cc1C 587915699 SVWFBMFPTSESTD-UHFFFAOYSA-N 373.232 4.123 70 1 FIIF O=S(=O)(Cl)c1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1Cl 586927266 JXUFALJGPZJMBO-UHFFFAOYSA-N 361.637 4.464 70 1 FIIF O=C(c1cccc(S(=O)(=O)Cl)c1)c1coc2ccc(Cl)cc12 587278722 JWDDKQSUVHUZDJ-UHFFFAOYSA-N 355.198 4.245 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(C)sc1S(=O)(=O)Cl 587918162 DQNCBXYKRMXLOC-UHFFFAOYSA-N 361.271 4.046 70 1 FIIF Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1F 586927640 PSNGWDUDSOVAJI-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF CC(C)Nc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[nH]1 216985029 ZMHFJWSLOAKLKY-UHFFFAOYSA-N 364.268 4.234 70 1 FIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 218478890 JCWYQRYUDAIGKI-SWLSCSKDSA-N 360.845 4.284 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(C)c(C)cc1S(=O)(=O)Cl 587918146 CTFWNFOCOCHLPS-UHFFFAOYSA-N 369.269 4.293 70 1 FIIF O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl 586927485 NQGHAQIFPDQMJM-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF COc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Cl 586927764 JZRGVWMNIBFHPD-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c1 587181103 SCDKHTZYRNCWQL-UHFFFAOYSA-N 361.785 4.090 70 1 FIIF CC(C)Oc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587181383 YFAIROBAYCGAPR-UHFFFAOYSA-N 368.817 4.329 70 1 FIIF CCc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1S(=O)(=O)Cl 586927794 RTSIVVROJMQAFF-UHFFFAOYSA-N 371.849 4.268 70 1 FIIF N#Cc1cc(Cl)cc(Oc2cc(OS(=O)(=O)F)ccc2Cl)c1 2382229665 BXIVOEVZOBHGRF-UHFFFAOYSA-N 362.165 4.250 70 1 FIIF Cc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928296 VBPAUCGZJWPMMV-UHFFFAOYSA-N 374.771 4.485 70 1 FIIF O=S(=O)(Cl)c1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl 586926800 FOCVSVMNUBPJGN-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF Cc1c(F)ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 586928085 PNZRCGWMCOINSZ-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(C)cc1C 587918335 NIPRTWUEVIEBIH-UHFFFAOYSA-N 369.269 4.293 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(C)c(S(=O)(=O)Cl)cc1C 587918166 DVGXTFYHFYMYSF-UHFFFAOYSA-N 369.269 4.293 70 1 FIIF CCc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927236 DXPGFPURFXSYEP-UHFFFAOYSA-N 355.246 4.373 70 1 FIIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 218478797 JCWYQRYUDAIGKI-IUODEOHRSA-N 360.845 4.284 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1 587918258 JFWPRYNDYQMTLA-UHFFFAOYSA-N 369.269 4.293 70 1 FIIF Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc32)n1 586928337 XLWCHXOQMLXXHB-UHFFFAOYSA-N 371.849 4.322 70 1 FIIF Cc1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl 586928083 PJXOCYYXZJLHMB-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587181124 TVATULRCCIPATJ-UHFFFAOYSA-N 364.829 4.420 70 1 FIIF Cc1cc(C)c(B(Nc2ccc(O)cc2)c2c(C)cc(C)cc2C)c(C)c1 195207492 IEAXVABBJOKMDV-UHFFFAOYSA-N 357.306 4.461 70 1 FIIF Cc1cc(F)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586926985 HQGDVBTWBXEZFH-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF Clc1ccc(OC2CCNCC2)c(-c2nc(Cc3ccccc3)no2)c1 218578611 LWKCSWLUAJAZQF-UHFFFAOYSA-N 369.852 4.112 70 1 FIIF Cc1cc(-c2nc3c(C)c(Cl)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928403 ZQIHTBMPSPHNMO-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc(C)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586927827 KSVMVGGUKQPHJN-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587177836 BQZDVYJTBOGFFC-UHFFFAOYSA-N 363.172 4.334 70 1 FIIF CC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927023 IEGMHQFUQSBELY-UHFFFAOYSA-N 369.229 4.013 70 1 FIIF Cc1cc(-c2nc3c(cnc4ccccc43)[nH]2)ccc1S(=O)(=O)Cl 586928301 VEPQBLSKHKAAEV-UHFFFAOYSA-N 357.822 4.014 70 1 FIIF CCc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1S(=O)(=O)Cl 586926882 GVLFXUBMPFDJLN-UHFFFAOYSA-N 352.818 4.167 70 1 FIIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1Cl 586926809 FYKGPNAVMVROMP-UHFFFAOYSA-N 361.637 4.464 70 1 FIIF O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1Cl 586928230 RRKVGVBFKLDIDT-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Cl 586927696 JGANFUPQRRCPSW-UHFFFAOYSA-N 361.637 4.464 70 1 FIIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1Cl 586928034 OCQHLWIYVYCWAT-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Cl 586927576 HIIABZUGIYOGLD-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1S(=O)(=O)Cl 586928370 YRXWFOHOYPRJGK-UHFFFAOYSA-N 360.866 4.345 70 1 FIIF CSc1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1 586928346 XZCPVLKMHGQOIT-UHFFFAOYSA-N 352.868 4.188 70 1 FIIF CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 587180549 KIOSECURYWHFQA-UHFFFAOYSA-N 367.833 4.234 70 1 FIIF Cc1cc(F)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 586927564 HBBBDILWIAENLU-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF Cc1ccc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 586928016 WGNUFPHLDSJCEU-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF COc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c12 586928554 CMRNAENZQQRTAW-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1F 586926788 AIALXJWSTQGZGN-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF C=CCc1cccc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c12 586927977 VHSSDPSFAKAHKB-UHFFFAOYSA-N 360.866 4.448 70 1 FIIF CCc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1S(=O)(=O)Cl 586927389 MBMATYGSTBWEAA-UHFFFAOYSA-N 352.818 4.167 70 1 FIIF Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1C 586927742 RBXUHGSVFIKTHB-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c(C)n1 586928948 MWPZESNNCHCHBO-UHFFFAOYSA-N 370.261 4.131 70 1 FIIF CCc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1S(=O)(=O)Cl 586926500 APXORCVLOPANGD-UHFFFAOYSA-N 374.771 4.137 70 1 FIIF Cc1cc(-c2nc3c(ccc4ncccc43)[nH]2)ccc1S(=O)(=O)Cl 586928270 SXJRBWNQNNZFHF-UHFFFAOYSA-N 357.822 4.014 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(C)cc(S(=O)(=O)Cl)c1C 587918318 MOMYECSMXVYIMC-UHFFFAOYSA-N 369.269 4.293 70 1 FIIF O=C(NC[C@H](c1ccccc1)c1ccnnc1)c1cccc(Cl)c1Cl 217381104 ZENCDVLDBAVBHY-MRXNPFEDSA-N 372.255 4.345 70 1 FIIF CCc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1S(=O)(=O)Cl 586926786 FNEVPGCDVAJHGA-UHFFFAOYSA-N 352.818 4.167 70 1 FIIF CCc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1S(=O)(=O)Cl 586927392 MCXJGXNDWQAXLN-UHFFFAOYSA-N 366.895 4.442 70 1 FIIF Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586929184 RAJKKVNACODKFY-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl 586928407 ZVUOGOWEDIFOHF-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF CCc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1S(=O)(=O)Cl 586927743 RBZGHBBBGOEVIC-UHFFFAOYSA-N 371.849 4.268 70 1 FIIF CC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586928400 ZMZGEVOBUGGZOK-UHFFFAOYSA-N 369.229 4.013 70 1 FIIF Cc1cc(-c2nc3c(C)cc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl 586926858 ATGRGFUMCPMLTI-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF O=S(=O)(F)c1cccc(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1 98207871 XFQASTJKVRWJHI-UHFFFAOYSA-N 373.192 4.369 70 1 FIIF in-vitro O=C(NC[C@@H](c1ccccc1)c1ccnnc1)c1ccc(Cl)cc1Cl 217381340 WWHRVRBFSIGTHY-KRWDZBQOSA-N 372.255 4.345 70 1 FIIF CSc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587181089 RIGFVTSIAYIQJA-UHFFFAOYSA-N 356.831 4.263 70 1 FIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587178258 XUIWMVWAWWRSNQ-UHFFFAOYSA-N 363.172 4.334 70 1 FIIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1Cl 586925300 DQGQFZBWYAMASF-UHFFFAOYSA-N 361.637 4.464 70 1 FIIF Cc1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CCN(C)CC2)c1 217358701 QZRSWVWXLOAFLM-UHFFFAOYSA-N 356.897 4.042 70 1 FIIF Cc1cc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 586927804 RYRMEWMIKDDHBC-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF O=C(NC[C@@H](c1ccccc1)c1ccnnc1)c1cccc(Cl)c1Cl 217381175 ZENCDVLDBAVBHY-INIZCTEOSA-N 372.255 4.345 70 1 FIIF COc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586928880 LDQZHQANYZMTJB-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1C 586926773 FKHPULHTPKLTNG-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(F)c3[nH]2)c1Cl 586927464 ZCOSVHFASAERIK-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF Cc1c(F)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 586928129 ZQCVTBGIEZPWFQ-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C)c2[nH]1 586924352 CEMTUOVFEIDBQU-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 587216773 LPXOIUWLWPIZAZ-DJJJIMSYSA-N 361.894 4.057 70 1 FIIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 587216772 LPXOIUWLWPIZAZ-BFUOFWGJSA-N 361.894 4.057 70 1 FIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(F)cc3[nH]2)c1Cl 586927316 WOPACOISBWIJRU-UHFFFAOYSA-N 359.209 4.258 70 1 FIIF O=S(=O)(Cl)c1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1Cl 586926544 BGDHRABKAYEVTI-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF C[C@@]1(c2ccc(S(=O)(=O)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510960 ZMJHPQLZZYYUGB-FQEVSTJZSA-N 374.433 4.104 70 1 FIIF COc1ccc(CCN2CC[C@@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1 217456236 CSFSJDAQGVFZGZ-UZFJHSOTSA-N 351.490 4.168 70 1 FIIF Cc1cc(-c2nc3c(C(F)(F)F)cccc3[nH]2)ccc1S(=O)(=O)Cl 586927253 DZIOZAODHCOYAV-UHFFFAOYSA-N 374.771 4.485 70 1 FIIF CCc1ccc(-c2nc3cc(OC)c(C)cc3[nH]2)cc1S(=O)(=O)Cl 586927479 NNCJIVPHVIQVMH-UHFFFAOYSA-N 364.854 4.037 70 1 FIIF O=S(=O)(Cl)c1ccc2c(c1)-c1nc3cccc4c3c(c1CC2)CC4 587216545 FETADOIIRDIMPE-UHFFFAOYSA-N 355.846 4.027 70 1 FIIF N#Cc1cc(Cl)cc(Oc2ccc(OS(=O)(=O)F)cc2Cl)c1 2382248614 DLUVVTPNKNETOS-UHFFFAOYSA-N 362.165 4.250 70 1 FIIF COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1C 586928179 QSSZROQDINFFKB-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF CCc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927584 ONLGXGHWTCFSFS-UHFFFAOYSA-N 355.246 4.373 70 1 FIIF COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Cl)cc1C 587918202 GKPLYLBNIGHEPL-UHFFFAOYSA-N 361.271 4.046 70 1 FIIF O=S(=O)(Cl)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1Cl 586928062 PCAIIDQJBQBYCS-UHFFFAOYSA-N 363.172 4.089 70 1 FIIF O=C(NC[C@H](c1ccccc1)c1ccnnc1)c1ccc(Cl)cc1Cl 217381273 WWHRVRBFSIGTHY-QGZVFWFLSA-N 372.255 4.345 70 1 FIIF CCc1cc(C#Cc2cc(Cl)ccc2OC)ccc1S(=O)(=O)Cl 587918301 LJAKZIDFQPXYKP-UHFFFAOYSA-N 369.269 4.238 70 1 FIIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C)c3[nH]2)c1Cl 586928775 IPFXTLQNPHFKMS-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1C 586927474 NBGZZHVZFFZORJ-UHFFFAOYSA-N 371.245 4.128 70 1 FIIF COc1ccc(Cl)cc1C#CCc1ccc(S(=O)(=O)Cl)c(F)c1 587916932 YVIUVGHIICTLKA-UHFFFAOYSA-N 373.232 4.009 70 1 FIIF COc1ccc(Cl)cc1C#CCc1ccc(F)cc1S(=O)(=O)Cl 587916997 VZXFEKPPKGAUIT-UHFFFAOYSA-N 373.232 4.009 70 1 FIIF CCc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586926983 HPSNQQHWADMCGL-UHFFFAOYSA-N 370.261 4.077 70 1 FIIF C[C@]1(c2ccc(S(=O)(=O)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510963 ZMJHPQLZZYYUGB-HXUWFJFHSA-N 374.433 4.104 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(C)cc1F 587915957 XSVVBPVFEFBEII-UHFFFAOYSA-N 373.232 4.123 70 1 FIIF COc1ccc(Cl)cc1C#Cc1cccc(/C=C/S(=O)(=O)Cl)c1 587918174 FHFPKBFSMBTUQB-MDZDMXLPSA-N 367.253 4.288 70 1 FIIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 587216774 LPXOIUWLWPIZAZ-ORAYPTAESA-N 361.894 4.057 70 1 FIIF CCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1S(=O)(=O)Cl 586928058 XONFRTZQTJNFNQ-UHFFFAOYSA-N 355.246 4.373 70 1 FIIF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)CCl)CC[C@@H]12 28536453 HJBLTJMKWABGPD-MNZDUMJDSA-N 367.961 4.114 70 1 FIIF biogenic Cc1cc(C)c(B(c2c(C)cc(C)cc2C)N(C)c2ccc(O)cc2)c(C)c1 195201228 SSZSUICYSUHCSW-UHFFFAOYSA-N 371.333 4.485 70 1 FIIF Cc1cc(-c2nc3cc(OC(C)C)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928303 VHAWYJWVPMSMEN-UHFFFAOYSA-N 364.854 4.253 70 1 FIIF Cc1ccc(C)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12 586928243 SAQFIVOCWVHCNE-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1C 586927985 NELVKZWRHLKKOB-UHFFFAOYSA-N 355.246 4.428 70 1 FIIF Cc1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928348 YAERGRAXVAEKLP-UHFFFAOYSA-N 363.870 4.158 70 1 FIIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c1 587179960 CBVMJPGCZYYABL-UHFFFAOYSA-N 361.785 4.090 70 1 FIIF