smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1cccc(CC)c1NC(=O)CC(=N)N 217752301 YECKNJPIPNMESF-UHFFFAOYSA-N 233.315 2.076 70 40 BEIB O=S(=O)(Cl)c1ccc(-c2cc[nH]n2)s1 95707835 DUXZTTCOHYHPOL-UHFFFAOYSA-N 248.716 2.066 70 40 BEIB O=S(=O)(Cl)CCc1cccc(Cl)c1 95698266 PDUXISISBUJADZ-UHFFFAOYSA-N 239.123 2.451 70 40 BEIB O=C(C1CCC(F)(F)CC1)N1CCCC1 160984955 OQRARDIXBZCHNH-UHFFFAOYSA-N 217.259 2.434 70 40 BEIB NC(=S)[C@H]1CCC2(C1)SCCS2 217904795 RWPHBHHAORCXKU-LURJTMIESA-N 219.400 2.249 70 40 BEIB FC(F)c1nnc(SCc2cccnc2)[nH]1 216903141 UPYIDYNGDOKASZ-UHFFFAOYSA-N 242.254 2.430 70 40 BEIB O=S(=O)(Cl)c1ccnc2ccccc12 104845887 IXNGVZUFSMKRIO-UHFFFAOYSA-N 227.672 2.162 70 40 BEIB Cc1cc([N+](=O)[O-])c(S(=O)(=O)Cl)cc1C 100502672 NKGRHPNUVQGZST-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB CC(C)C(NC(=O)[C@H]1CCCN(C)C1)C(C)C 216906471 CWXYEBSTRCRCJN-LBPRGKRZSA-N 240.391 2.125 70 40 BEIB O=S(=O)(Cl)c1cccc2ncccc12 72400371 IGBMUOLGIDEIJH-UHFFFAOYSA-N 227.672 2.162 70 40 BEIB in-vitro O=S(=O)(Cl)c1ccccc1-c1ccno1 97945876 JMEYKLPFXXZHEE-UHFFFAOYSA-N 243.671 2.269 70 40 BEIB C=CCOc1cccc(S(=O)(=O)Cl)c1 101477805 RNZJXRGEAOCWKB-UHFFFAOYSA-N 232.688 2.179 70 40 BEIB COc1ccc2cc(C(=O)N=[N+]=[N-])c(=O)oc2c1 14983149 KIPIRQVNIGOHCO-UHFFFAOYSA-N 245.194 2.252 70 40 BEIB O=S(=O)(Cl)c1ccc2c(c1)CCCCO2 110768780 ISGWUMVGGQRCPM-UHFFFAOYSA-N 246.715 2.329 70 40 BEIB COC(=O)c1ccc(Cc2ccc(OC)cc2)[nH]1 217659498 ZEDPETBQEAPDHK-UHFFFAOYSA-N 245.278 2.401 70 40 BEIB CC[C@@H](C)NC(=O)Cc1cc(C)ccc1N 217783751 WHGSBJFKIWNALP-SNVBAGLBSA-N 220.316 2.034 70 40 BEIB CO[SiH](CCC1CCCCC1)OC 201109657 GPEAZEAMTYBLFY-UHFFFAOYSA-N 202.370 2.470 70 40 BEIB COc1c(C)ccc(S(=O)(=O)Cl)c1C 103604153 ZOHUIEAJDKEUPU-UHFFFAOYSA-N 234.704 2.240 70 40 BEIB O=S(=O)(Cl)C[C@H]1CCCC(F)(F)C1 238855212 QSPHSERFSNKLAW-LURJTMIESA-N 232.679 2.381 70 40 BEIB OC1=NN=C(c2ccc(F)c(F)c2)[C@H]2C[C@H]12 217830859 IZVHOLZPAYTUOM-BQBZGAKWSA-N 222.194 2.275 70 40 BEIB Cc1cc(S(=O)(=O)Cl)c(N)cc1Cl 100039842 MZNFQQLADSWLLV-UHFFFAOYSA-N 240.111 2.158 70 40 BEIB CCCOc1cccc(S(=O)(=O)Cl)c1 103603454 UHRNHVUYCHDKIQ-UHFFFAOYSA-N 234.704 2.403 70 40 BEIB Cc1cc(S(=O)(=O)Cl)n(C2CCCC2)n1 100804782 JJPKWCSOOOBIPT-UHFFFAOYSA-N 248.735 2.234 70 40 BEIB O=S(=O)(Cl)N1CCC[C@H]2CCCC[C@H]21 59389854 BNQYEMFKTOEOFX-RKDXNWHRSA-N 237.752 2.125 70 40 BEIB in-vitro Cc1cc(F)cc(C)c1S(=O)(=O)Cl 104537750 RVCGNZNOJBRAGG-UHFFFAOYSA-N 222.668 2.370 70 40 BEIB in-vitro CCC(=O)Nc1cccc([B-](F)(F)F)c1 216632344 REFMBDNYEIBTRO-UHFFFAOYSA-N 215.991 2.090 70 40 BEIB C[C@@H]1CCc2cc(C(=O)N(C)C)ccc2N1 217515678 AFAKWTKQRUPFFX-SECBINFHSA-N 218.300 2.135 70 40 BEIB COC(=O)c1ccc(F)c(OC(C)C)c1 217572409 YHDNPKZBEVEOCL-UHFFFAOYSA-N 212.220 2.400 70 40 BEIB Cc1ccc(N)c(CC(=O)OCC2CC2)c1 217786863 IOCVEHJHMGOBOP-UHFFFAOYSA-N 219.284 2.073 70 40 BEIB CC[C@@H](C)OC(=O)Cc1ccc(C)cc1N 217775694 SEIATQVWMJEJGP-SNVBAGLBSA-N 221.300 2.461 70 40 BEIB COCCCc1cc(O)nc(CCC(C)C)n1 217786578 YDMHKLCZNDLRGR-UHFFFAOYSA-N 238.331 2.350 70 40 BEIB CC(C)c1ccc(NS(=O)(=O)F)cc1 1776011219 QIUPDXIQBSWJOG-UHFFFAOYSA-N 217.265 2.436 70 40 BEIB Cc1cccc(F)c1S(=O)(=O)Cl 100006356 JFMJQYFCCNCOKQ-UHFFFAOYSA-N 208.641 2.062 70 40 BEIB in-vitro CCCCCNC(=O)Cc1ccc(C)cc1N 217777621 QXJUWDSINLTCGV-UHFFFAOYSA-N 234.343 2.426 70 40 BEIB CCOC(OCC)c1cnn(C(F)(F)F)c1 217571852 TVPQXQIWABOWAZ-UHFFFAOYSA-N 238.209 2.431 70 40 BEIB COCCCc1cc(O)nc(C2CCCC2)n1 217787334 ZBYQQBGYRGLTEF-UHFFFAOYSA-N 236.315 2.419 70 40 BEIB O=S(=O)(F)c1ccc(CCl)cc1 100037118 IDJRFBRURUINQC-UHFFFAOYSA-N 208.641 2.084 70 40 BEIB in-vitro COC(=O)c1ccc(Cc2cccc(OC)c2)[nH]1 217659383 YPXCFADWLSKUCH-UHFFFAOYSA-N 245.278 2.401 70 40 BEIB COc1cc2ccccc2cc1-c1nnc(N)o1 216746068 PXZQFPMRPKZXIB-UHFFFAOYSA-N 241.250 2.481 70 40 BEIB Cc1cc(C)c(S(=O)(=O)Cl)c(Cl)n1 130263002 OWTVNJBCNVAVAB-UHFFFAOYSA-N 240.111 2.279 70 40 BEIB Cl[Si](c1ccccc1)c1ccccc1 195814902 YCITZMJNBYYMJO-UHFFFAOYSA-N 217.751 2.031 70 40 BEIB O=S(=O)(Cl)c1ccc(CF)cc1 103701425 ZRUQPLDNVBXYAM-UHFFFAOYSA-N 208.641 2.084 70 40 BEIB O=S(=O)(Cl)c1cccc(C2CC2)c1 104538024 SOBFLTOURJYMBV-UHFFFAOYSA-N 216.689 2.492 70 40 BEIB Cc1ccc(S(=O)(=O)Cl)c(C)c1[N+](=O)[O-] 104549484 YDIBDPUZGPJXMX-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB O=S(=O)(Cl)c1cccc2cc[nH]c12 104549539 FHLRDOWXFBOLJW-UHFFFAOYSA-N 215.661 2.095 70 40 BEIB c1ccc(Cn2cc([C@H]3OCCS3)nn2)cc1 216749081 JHRDYISGNPISAA-LBPRGKRZSA-N 247.323 2.088 70 40 BEIB CN1CCC[C@H]1CCCNC(=O)OC(C)(C)C 218325060 DUZJVPAGCYBSSZ-LLVKDONJSA-N 242.363 2.386 70 40 BEIB CCOc1cccc(S(=O)(=O)Cl)c1 101477804 KRAMAYNJUAGJIC-UHFFFAOYSA-N 220.677 2.013 70 40 BEIB in-vitro Cl[Si](Cl)C[Si](Cl)Cl 196110261 MJDRMXBTLIZHHH-UHFFFAOYSA-N 212.011 2.457 70 40 BEIB Cc1cncc2c(S(=O)(=O)Cl)cccc12 101692010 HNKXDDMSVNPLTL-UHFFFAOYSA-N 241.699 2.471 70 40 BEIB Cc1ccc(N)c(CC(=O)OCC(F)(F)F)c1 217781681 PMMSTUPXRQLNNG-UHFFFAOYSA-N 247.216 2.225 70 40 BEIB O=S(=O)(Cl)[C@@H]1CCCC[C@@H]1Cl 100621619 ZBAQTFQTWCUZFN-NTSWFWBYSA-N 217.117 2.105 70 40 BEIB in-vitro CCCCOc1cccc(-c2nnc(N)o2)c1 216746200 AAAHJGDQBGTHHV-UHFFFAOYSA-N 233.271 2.498 70 40 BEIB O=S(=O)(Cl)c1cccnc1C(F)(F)F 97950195 IRINAFUPYRWEKL-UHFFFAOYSA-N 245.609 2.028 70 40 BEIB in-vitro O=S(=O)(Cl)c1nccc2ccccc12 104542601 MIGRFORREVIOBF-UHFFFAOYSA-N 227.672 2.162 70 40 BEIB [N-]=[N+]=NC(=O)c1ccc2nsnc2c1 57312103 VFEBBGPMTUBPKP-UHFFFAOYSA-N 205.202 2.142 70 40 BEIB CCCCCNC(=O)Cc1cc(C)ccc1N 217784061 CDUKVFDCEVESTA-UHFFFAOYSA-N 234.343 2.426 70 40 BEIB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Cl 100655293 WFFMIEOUCQAIPX-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB CCCn1cc(NC2=NCCCC2)cn1 217805952 OXRYVYXHVMENMT-UHFFFAOYSA-N 206.293 2.287 70 40 BEIB O=C(NCCOc1ccccc1Cl)C1CC1 159481313 ZZNKSKLTHKYMNY-UHFFFAOYSA-N 239.702 2.245 70 40 BEIB CC(C)c1ccc(NC(=O)CC(=N)N)cc1 217743324 HZCVFPIQNLUWFG-UHFFFAOYSA-N 219.288 2.075 70 40 BEIB N=C(N)CC(=O)Nc1cccc2ccccc12 217743437 UCQXGWVCFKPYPG-UHFFFAOYSA-N 227.267 2.104 70 40 BEIB COCCCc1cc(O)nc(-c2ccco2)n1 217789282 PXRMDPUSDMFGPP-UHFFFAOYSA-N 234.255 2.021 70 40 BEIB O=S(=O)(F)C[C@H]1C[C@@H]1Cc1ccccc1 1554693373 VNPHBLIEYSREHE-WDEREUQCSA-N 228.288 2.165 70 40 BEIB CC[C@H](C)OC(=O)Cc1cc(C)ccc1N 217781984 DLUSIHQXBYKJLI-JTQLQIEISA-N 221.300 2.461 70 40 BEIB c1coc(Cn2cc(NC3=NCCC3)cn2)c1 217805285 IZRBSEABQAUOAE-UHFFFAOYSA-N 230.271 2.129 70 40 BEIB Cc1cc(C)c([C@@H](C)NC(=O)CC(=N)N)cc1C 217755955 ORIPLPVVDNUBEM-LLVKDONJSA-N 247.342 2.115 70 40 BEIB CCS(=O)(=O)/C=C/c1c(C)coc1C 217754809 ZOLJWBJCKXTWCQ-AATRIKPKSA-N 214.286 2.302 70 40 BEIB O=S(=O)(Cl)C1=Cc2ccccc2OCC1 97972430 SIQCEPFBSLNZHE-UHFFFAOYSA-N 244.699 2.379 70 40 BEIB Cc1[nH]c2ccccc2c1S(=O)(=O)Cl 100132820 GKLKENIHDZVDFO-UHFFFAOYSA-N 229.688 2.404 70 40 BEIB Cc1cc(Cl)c(O)c(S(=O)(=O)Cl)c1 104537810 BCHGKXNAZQTZKB-UHFFFAOYSA-N 241.095 2.282 70 40 BEIB CC(=O)c1cc(S(=O)(=O)Cl)ccc1C 59079780 QPMOWRGOMJSUQJ-UHFFFAOYSA-N 232.688 2.125 70 40 BEIB in-vitro O=S(=O)(F)c1cc(Cl)c(O)cc1Cl 95850925 XMAAXWXIMDCKNS-UHFFFAOYSA-N 245.058 2.357 70 40 BEIB Cc1ccc(N)c(CC(=O)OC(C)C)c1 217781568 IPVUHXHZYIBFFV-UHFFFAOYSA-N 207.273 2.071 70 40 BEIB COc1ncccc1C(=O)N1[C@H]2C=CC[C@H]1CC2 218728258 SHIVYPMWVZBXMB-QWRGUYRKSA-N 244.294 2.023 70 40 BEIB CN1CCC[C@@H](C(=O)N(C)C2CCCCC2)C1 216916062 GSQQRAYESXJTKI-GFCCVEGCSA-N 238.375 2.119 70 40 BEIB Cc1ccc(N)c(CC(=O)N2CCC[C@@H](C)C2)c1 217784806 WGWNXIPLDWHMTJ-GFCCVEGCSA-N 246.354 2.378 70 40 BEIB COc1ccccc1-c1cc(N)nc(SC)n1 217367345 SNRLXKAHRFPRLB-UHFFFAOYSA-N 247.323 2.456 70 40 BEIB CC[C@H](C)NC(=O)Cc1ccc(C)cc1N 217777423 FUEPBQCWPXWMIC-JTQLQIEISA-N 220.316 2.034 70 40 BEIB CCCCOC(=O)Cc1cc(C)ccc1N 217781802 RLICIDPQGRUYHO-UHFFFAOYSA-N 221.300 2.463 70 40 BEIB CC(C)(C)OC(=O)c1cnn(C(F)(F)F)c1 217571281 FSNMOZQDBWGOQS-UHFFFAOYSA-N 236.193 2.315 70 40 BEIB O=S(=O)(Cl)CCc1ccccc1Cl 95698267 BRMWJQBTZLQTIP-UHFFFAOYSA-N 239.123 2.451 70 40 BEIB CCCCc1ccc(NC(=O)CC(=N)N)cc1 217751739 JSVAOMXGWKDZQX-UHFFFAOYSA-N 233.315 2.294 70 40 BEIB O=S(=O)(Cl)c1ccc2oc(=S)[nH]c2c1 104547671 QHPPTZPVBVUTMQ-UHFFFAOYSA-N 249.700 2.418 70 40 BEIB O=S(=O)(Cl)c1cc(-c2ccn[nH]2)cs1 100476806 FSHZUYQVKXWEDT-UHFFFAOYSA-N 248.716 2.066 70 40 BEIB FC(F)(F)CC[SiH2]C(Cl)Cl 201215211 SHYOPIJNYOSPFQ-UHFFFAOYSA-N 211.086 2.287 70 40 BEIB CN1O[C@@H](c2ccccn2)CC12CCC2 217725075 JJSPTWMCKRZJJJ-LLVKDONJSA-N 204.273 2.313 70 40 BEIB Cc1ccc(CC(=O)OCC(F)(F)F)c(N)c1 217775490 JIKZASJCULOZEW-UHFFFAOYSA-N 247.216 2.225 70 40 BEIB N=C(N)CC(=O)Nc1cc(Cl)ccc1Cl 217745309 BLUDFIOWUIYRCP-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB O=S(=O)(Cl)c1cnoc1-c1ccccc1 97952694 ANQFFSRQPNSEQA-UHFFFAOYSA-N 243.671 2.269 70 40 BEIB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCO1 160331493 FBMHBUSURNVTKX-LLVKDONJSA-N 241.237 2.472 70 40 BEIB OC1=NN=C(c2ccc(F)c(F)c2)[C@@H]2C[C@@H]12 217830618 IZVHOLZPAYTUOM-RNFRBKRXSA-N 222.194 2.275 70 40 BEIB COc1ccc([Si]2(Cl)CCC2)cc1 195836808 AAWBPQWOJOCPHO-UHFFFAOYSA-N 212.752 2.490 70 40 BEIB O=C(c1ccc(S(=O)(=O)Cl)cc1)C1CC1 100648092 CFGIAUNBGCWZFU-UHFFFAOYSA-N 244.699 2.207 70 40 BEIB N=C(N)CC(=O)Nc1cccc(Cl)c1Cl 217745090 AQGRQQDXOFXOBC-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB COc1ccc(B(C)N2CCCC[C@@H]2C)cc1 195752753 BOAUFQJNJHIQCE-LBPRGKRZSA-N 231.148 2.398 70 40 BEIB O=S(=O)(Cl)[C@@H]1CCCC[C@H]1Cl 100621621 ZBAQTFQTWCUZFN-PHDIDXHHSA-N 217.117 2.105 70 40 BEIB in-vitro CC[C@H](N)C(=O)N1CCCc2ccc(C)cc21 159749429 HFPWPEJIGOBOLD-LBPRGKRZSA-N 232.327 2.012 70 40 BEIB Cc1cc(C)cc(CS(=O)(=O)Cl)c1 103397130 JNFNDSLOAAYOLX-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB in-vitro Cc1ccc(S(=O)(=O)Cl)c(F)c1F 103625598 NYOZHVMXONVVSX-UHFFFAOYSA-N 226.631 2.201 70 40 BEIB in-vitro N#Cc1cc(Cl)cc(S(=O)(=O)Cl)c1 97971805 NNCVCCCUFMTMRO-UHFFFAOYSA-N 236.079 2.139 70 40 BEIB COC(=O)c1ccc(Cc2ccccc2OC)[nH]1 217659255 LYOXAIQYYOCXSS-UHFFFAOYSA-N 245.278 2.401 70 40 BEIB O=S(=O)(Cl)[C@H]1CCCC[C@@H]1Cl 100621623 ZBAQTFQTWCUZFN-WDSKDSINSA-N 217.117 2.105 70 40 BEIB in-vitro CCOCc1cccc(S(=O)(=O)Cl)c1 100908762 LZBJJNKGUOZJLT-UHFFFAOYSA-N 234.704 2.151 70 40 BEIB in-vitro C=CCOc1ccccc1S(=O)(=O)Cl 103603833 ATCIFGPSLPOFGV-UHFFFAOYSA-N 232.688 2.179 70 40 BEIB O=S(=O)(F)N1CCC(c2ccccc2)CC1 1776011246 VYZZRPMXFDBOTD-UHFFFAOYSA-N 243.303 2.080 70 40 BEIB CCOc1ccc(C)c2sc(NN)nc12 216876325 YUPPVFVCXNEJRC-UHFFFAOYSA-N 223.301 2.289 70 40 BEIB CC(C)Oc1cccc(S(=O)(=O)Cl)c1 103603449 HMCKEZVRRQHYFC-UHFFFAOYSA-N 234.704 2.401 70 40 BEIB O=S(=O)(Cl)c1ccc2[nH]ccc2c1 100446359 MZGMZFOGQIBZLB-UHFFFAOYSA-N 215.661 2.095 70 40 BEIB in-vitro CCOc1ccc(S(=O)(=O)Cl)c(F)c1 59107061 PJTWZVWKDFNTJR-UHFFFAOYSA-N 238.667 2.152 70 40 BEIB Cc1ccc(S(=O)(=O)F)c(Cl)c1 100250968 AUSPOLUREGIVQB-UHFFFAOYSA-N 208.641 2.307 70 40 BEIB O=S(=O)(Cl)c1ccc(F)c2cccnc12 100037909 YQQUPRGXCYWYBA-UHFFFAOYSA-N 245.662 2.301 70 40 BEIB in-vitro Cc1cccc(C)c1CS(=O)(=O)Cl 100038507 SLVJLZHMCFBLKO-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB in-vitro N#Cc1cc(Cl)ccc1S(=O)(=O)Cl 100650307 UJNSAHMCGIKGLS-UHFFFAOYSA-N 236.079 2.139 70 40 BEIB in-vitro N=C(N)CC(=O)Nc1c(Cl)cccc1Cl 217745441 HTQKHOWKBVFJBJ-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)Cl 100575229 HVHKOZMKZKNUAL-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB Cc1ccc(Cl)c(S(=O)(=O)F)c1 100251109 WDFLVNAFGWTULL-UHFFFAOYSA-N 208.641 2.307 70 40 BEIB COCCCc1cc(O)nc(-c2ccccc2)n1 217788027 QJDKWPPQCPAHGK-UHFFFAOYSA-N 244.294 2.428 70 40 BEIB O=S(=O)(Cl)c1cccc2scnc12 72399401 IAHKZUNYBBKBDO-UHFFFAOYSA-N 233.701 2.224 70 40 BEIB in-vitro CCCOC(=O)Cc1cc(C)ccc1N 217781469 FGUFFBCCMZHUOT-UHFFFAOYSA-N 207.273 2.073 70 40 BEIB CC[C@@H](C)c1nc(O)cc(CCCOC)n1 217787132 ZZUMQOJAHMBHHL-SECBINFHSA-N 224.304 2.275 70 40 BEIB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl 100265483 QRVLPRURSPBCKP-UHFFFAOYSA-N 249.675 2.085 70 40 BEIB CC(C)C(NC(=O)[C@@H]1CCCN(C)C1)C(C)C 216906438 CWXYEBSTRCRCJN-GFCCVEGCSA-N 240.391 2.125 70 40 BEIB O=S(=O)(Cl)[C@@H]1C[C@H]1c1ccccc1 103710370 FEPOIQPPYDWSBG-DTWKUNHWSA-N 216.689 2.111 70 40 BEIB CN(C)c1ncc(CNc2ccccc2)cn1 218774885 FMBROUHIQVJWQQ-UHFFFAOYSA-N 228.299 2.155 70 40 BEIB C=CCOc1ccc(S(=O)(=O)Cl)cc1C 103603586 YSYXRVSTRLJJFU-UHFFFAOYSA-N 246.715 2.487 70 40 BEIB Cc1ccc(N)c(CC(=O)Nc2nccs2)c1 217786980 KZWWHEHAQGMVHF-UHFFFAOYSA-N 247.323 2.215 70 40 BEIB O=S(=O)(Cl)c1c(F)ccc2cccnc12 104537639 JLDQKSWUOLQECM-UHFFFAOYSA-N 245.662 2.301 70 40 BEIB in-vitro OCC[SiH2]C(c1ccccc1)c1ccccc1 604970827 JUMXFOZJVSNVOS-UHFFFAOYSA-N 242.394 2.355 70 40 BEIB C=CCOc1ccc(S(=O)(=O)Cl)cc1 101646187 XKQVTVKOJUWARF-UHFFFAOYSA-N 232.688 2.179 70 40 BEIB O=S(=O)(Cl)c1c(Cl)ccnc1Cl 100469020 YGYLCSUIGQQRBL-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB CC1CC(C)(COS(=O)(=O)C(F)(F)F)C1 110753559 XSJJFQXDCDVIKW-UHFFFAOYSA-N 246.250 2.289 70 40 BEIB CCOC(=O)/C(F)=C(\C)CBr 145109637 UUAYNIXVPGGZAG-WAYWQWQTSA-N 225.057 2.188 70 40 BEIB CCC(C)(C)NC(=O)CC1CCN(C)CC1 216904101 MAZBZGIKIGJCBW-UHFFFAOYSA-N 226.364 2.023 70 40 BEIB Cc1cnc2ccccc2c1S(=O)(=O)F 1535473774 XYKLQMZJTCPOQZ-UHFFFAOYSA-N 225.244 2.201 70 40 BEIB O=S(=O)(Cl)c1cccc2c1CCCC2 100597881 WOJRSDINYVOLJK-UHFFFAOYSA-N 230.716 2.493 70 40 BEIB in-vitro CCc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 110764594 DVWSGISJCMITQO-UHFFFAOYSA-N 249.675 2.085 70 40 BEIB Cc1ccc(C[C@H](C)N(C)C(=O)CCCN)cc1 161157727 YAZYGHJUFURUOQ-ZDUSSCGKSA-N 248.370 2.123 70 40 BEIB Cc1ccc(C(=O)Cl)cc1S(=O)(=O)F 104154981 KNLIYWKLTHKSLW-UHFFFAOYSA-N 236.651 2.032 70 40 BEIB O=S(=O)(Cl)C[C@@H]1CCCC(F)(F)C1 238855213 QSPHSERFSNKLAW-ZCFIWIBFSA-N 232.679 2.381 70 40 BEIB O=S(=O)(F)c1ccc(C(F)(F)F)cc1 85576788 XSYRFOBVQLQWCO-UHFFFAOYSA-N 228.166 2.364 70 40 BEIB CCC(=O)n1c(C)c(C(N)=O)c2ccccc21 216949032 BUWPWYYTVGHRJW-UHFFFAOYSA-N 230.267 2.099 70 40 BEIB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](C)[C@@H]1[C@H]2C 217380884 XECHVXPHGHIOKX-FPYNETTCSA-N 210.317 2.232 70 40 BEIB O=S(=O)(Cl)c1cnc(Cl)cc1Cl 100468759 GJXYLMHEGDMQIS-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB in-vitro Cc1ccccc1CCS(=O)(=O)Cl 95696992 JHPDFMJTZDIMRJ-UHFFFAOYSA-N 218.705 2.106 70 40 BEIB Cc1ccc(N)c(CC(=O)NC(C)(C)C)c1 217783956 CWLLNOYOFDNHQM-UHFFFAOYSA-N 220.316 2.034 70 40 BEIB O=S(=O)(Cl)CCCOc1ccccc1 100495379 KQQXONXRBRPWRN-UHFFFAOYSA-N 234.704 2.024 70 40 BEIB Cc1cc(S(=O)(=O)Cl)cc(C)c1F 59281335 YHSLPTNUIVEZSI-UHFFFAOYSA-N 222.668 2.370 70 40 BEIB in-vitro O=S(=O)(Cl)c1cccc(CCl)c1 59523725 WWBINJHFPTVVII-UHFFFAOYSA-N 225.096 2.353 70 40 BEIB in-vitro Cc1ncc(-c2ncc(-c3cccnc3)[nH]2)cn1 216628500 QBHVJDVFIMFBAE-UHFFFAOYSA-N 237.266 2.237 70 40 BEIB CC(C)Nc1ncncc1C(F)(F)F 218729737 BVGPMQDAQBRUDZ-UHFFFAOYSA-N 205.183 2.316 70 40 BEIB O=S(=O)(Cl)c1cc(Cl)nc(Cl)c1 97945789 VUNOBXYWTQDDIR-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB CC(C)(C)C(=O)NCCSC1CCOCC1 217698668 VKVNAWZXIOVNIE-UHFFFAOYSA-N 245.388 2.061 70 40 BEIB COCCCc1cc(O)nc(CC2CCC2)n1 217787697 SCEIKEOTOJXJOP-UHFFFAOYSA-N 236.315 2.104 70 40 BEIB O=S(=O)(Cl)c1ccccc1OC(F)F 97949411 CSAHXQVUVOUPEY-UHFFFAOYSA-N 242.630 2.216 70 40 BEIB CCC[C@H](CCOC)CS(=O)(=O)Cl 103704377 VMYBFTCRAGUNJN-MRVPVSSYSA-N 228.741 2.008 70 40 BEIB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Cl)c1 104539071 UPYQIZCIGYABBD-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB Cc1ccc(N)c(CC(=O)N2CCC(C)CC2)c1 217785023 UXGWWSFFDGQZDB-UHFFFAOYSA-N 246.354 2.378 70 40 BEIB N=C(N)CC(=O)Nc1ccc(Cl)c(Cl)c1 217745553 RUXJCMVEJIBLOO-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB CC(C)n1cc(NC2=NCCCC2)cn1 217805826 WXMNVKLULDJGIJ-UHFFFAOYSA-N 206.293 2.458 70 40 BEIB Cc1ccc(C[C@@H](C)N(C)C(=O)CCCN)cc1 161157589 YAZYGHJUFURUOQ-CYBMUJFWSA-N 248.370 2.123 70 40 BEIB Cc1ccc(N)c(CC(=O)NC2CCCC2)c1 217786325 VYJNTHXDWDKFBL-UHFFFAOYSA-N 232.327 2.179 70 40 BEIB Cc1cccc(CS(=O)(=O)Cl)c1C 88251330 XTWCJAVFFNAZKY-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB CCn1cc(NC2=NCCCCC2)cn1 217812722 PQGFTGUJKBCBGI-UHFFFAOYSA-N 206.293 2.287 70 40 BEIB CC(C)Oc1ccc(S(=O)(=O)F)cc1 105402779 ZHAHEZQXHSOSEO-UHFFFAOYSA-N 218.249 2.132 70 40 BEIB Cc1ncn(CCCN2CCCCC2)c1C 161097615 CXFJFFSWADFLAN-UHFFFAOYSA-N 221.348 2.376 70 40 BEIB CCCCOC(=O)Cc1ccc(C)cc1N 217775595 JJMISXDJNBCADL-UHFFFAOYSA-N 221.300 2.463 70 40 BEIB CC(=O)OCCC[Si](C)(Cl)Cl 169748400 CNWZDXMFPRCFFL-UHFFFAOYSA-N 215.152 2.489 70 40 BEIB Cc1ccc(N)c(CC(=O)N2CCC[C@H](C)C2)c1 217784905 WGWNXIPLDWHMTJ-LBPRGKRZSA-N 246.354 2.378 70 40 BEIB O=S(=O)(Cl)c1cnccc1C(F)(F)F 97976190 VFJOQYGYBJRSJF-UHFFFAOYSA-N 245.609 2.028 70 40 BEIB O=S(=O)(Cl)c1cccc(-c2cnco2)c1 95749470 NVZBCBJNRFKVHB-UHFFFAOYSA-N 243.671 2.269 70 40 BEIB CCC1(COS(=O)(=O)C(F)(F)F)CCC1 110753529 BMBBAHJQWXWDQX-UHFFFAOYSA-N 246.250 2.433 70 40 BEIB O=S(=O)(Cl)c1cncc(C(F)(F)F)c1 101779612 RUURWHCYTYUNCM-UHFFFAOYSA-N 245.609 2.028 70 40 BEIB CCCCc1nc(O)cc(CCCOC)n1 217785946 WOFFMGXMNFKNRF-UHFFFAOYSA-N 224.304 2.104 70 40 BEIB COc1ccc(B(C)N2CCCC[C@H]2C)cc1 195752754 BOAUFQJNJHIQCE-GFCCVEGCSA-N 231.148 2.398 70 40 BEIB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCO1 160331373 FBMHBUSURNVTKX-NSHDSACASA-N 241.237 2.472 70 40 BEIB CCCCn1cc(NC2=NCCC2)cn1 217803051 IBTZVJFVANDFIW-UHFFFAOYSA-N 206.293 2.287 70 40 BEIB COc1ccc(S(=O)(=O)Cl)c(C)c1F 97957417 BELVUVMOPNDPCJ-UHFFFAOYSA-N 238.667 2.070 70 40 BEIB in-vitro O=S(=O)(F)Oc1cccc(C(F)(F)F)c1 97949991 KPMGDOAPTQZMJY-UHFFFAOYSA-N 244.165 2.299 70 40 BEIB in-vitro N#Cc1cc(S(=O)(=O)Cl)ccc1Cl 100137910 SOQHHZHDKJUUDQ-UHFFFAOYSA-N 236.079 2.139 70 40 BEIB O=S(=O)(Cl)N1CCC[C@@H]2CCCC[C@H]21 59389849 BNQYEMFKTOEOFX-DTWKUNHWSA-N 237.752 2.125 70 40 BEIB in-vitro O=S(=O)(Cl)N1CCC[C@@H]2CCCC[C@@H]21 59389851 BNQYEMFKTOEOFX-IUCAKERBSA-N 237.752 2.125 70 40 BEIB in-vitro O=S(=O)(F)C[C@@H]1C[C@@H]1Cc1ccccc1 1554693372 VNPHBLIEYSREHE-QWRGUYRKSA-N 228.288 2.165 70 40 BEIB FC(F)(F)c1cnc(NC2CC2)nc1 218730934 UQDDZBPWWICFNR-UHFFFAOYSA-N 203.167 2.070 70 40 BEIB CCOc1ccc(S(=O)(=O)Cl)cc1F 59112943 LYBSIGBOIHWSAN-UHFFFAOYSA-N 238.667 2.152 70 40 BEIB CCCOC(=O)Cc1ccc(C)cc1N 217775267 YLVXLAVCQCMESJ-UHFFFAOYSA-N 207.273 2.073 70 40 BEIB CCOc1ccc(S(=O)(=O)F)cc1C 105402774 PVQVLMXGJYHFET-UHFFFAOYSA-N 218.249 2.052 70 40 BEIB O=S(=O)(Cl)c1cc(F)cc2cccnc12 100585817 NBZCFXPRLZWBPM-UHFFFAOYSA-N 245.662 2.301 70 40 BEIB in-vitro O=S(=O)(Cl)c1cccc2cc(F)cnc12 104542199 UVLCXPFNQJYUMS-UHFFFAOYSA-N 245.662 2.301 70 40 BEIB in-vitro O=S(=O)(Cl)c1cccc2[nH]ccc12 104552613 XNBCZASPCQUCHZ-UHFFFAOYSA-N 215.661 2.095 70 40 BEIB Cc1csc(S(=O)(=O)Cl)c1C 100006853 CLMZIQOQEGJERQ-UHFFFAOYSA-N 210.707 2.292 70 40 BEIB Clc1nn2c(c1Br)OCCC2 217051995 LGGHWAGELZHWSW-UHFFFAOYSA-N 237.484 2.082 70 40 BEIB Cc1ccc(N)c(CC(=O)NCc2ccco2)c1 217786743 PYAPDYBOLZTVCI-UHFFFAOYSA-N 244.294 2.029 70 40 BEIB Cc1ccc(Cl)cc1S(=O)(=O)F 100357094 DTZFQAVQMFAOPO-UHFFFAOYSA-N 208.641 2.307 70 40 BEIB O[C@@]12C[C@H]3C[C@@H](C1)C[C@](NCc1ccco1)(C3)C2 217937845 WAHOWIWAUNTOQN-IKARSPCKSA-N 247.338 2.453 70 40 BEIB OC1=NN=C(c2ccc(F)c(F)c2)[C@H]2C[C@@H]12 217830701 IZVHOLZPAYTUOM-NKWVEPMBSA-N 222.194 2.275 70 40 BEIB O=S(=O)(Cl)c1[nH]ncc1-c1ccccc1 218815455 DSJVXOWFFUUBLJ-UHFFFAOYSA-N 242.687 2.004 70 40 BEIB O=S(=O)(Cl)c1cc(Cl)cnc1Cl 100221648 WVMVRXXYNPDVBK-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB in-vitro CC1=C[C@H](C)[C@@]2(CO)CO[C@H](C)[C@@H]1[C@H]2C 217380809 XECHVXPHGHIOKX-CKIKVBCHSA-N 210.317 2.232 70 40 BEIB CCCCNC(=O)Cc1cc(C)ccc1N 217783649 NDKDYMSNMSELFE-UHFFFAOYSA-N 220.316 2.036 70 40 BEIB Oc1nc(C(F)(F)F)nc(O)c1C1CCC1 217716882 WCTCECVJEVLTNK-UHFFFAOYSA-N 234.177 2.174 70 40 BEIB CC[C@@H](C)n1ncc(S(=O)(=O)Cl)c1C 100777574 YBMPEXKBYOFHFJ-ZCFIWIBFSA-N 236.724 2.090 70 40 BEIB O=S(=O)(Cl)c1ccc(CCCl)cc1 100371631 ZYIVPEJFZXDHRR-UHFFFAOYSA-N 239.123 2.395 70 40 BEIB N#Cc1ccc(S(=O)(=O)Cl)cc1Cl 100154133 HWCNCOCJCVWMBX-UHFFFAOYSA-N 236.079 2.139 70 40 BEIB COC(=O)c1cccc(OCC(F)F)c1 159526518 ZBRBPERFYQMSKP-UHFFFAOYSA-N 216.183 2.117 70 40 BEIB O=S(=O)(Cl)C[C@H]1CCC[C@@H](F)C1 221655532 HKPAIISMLXCQFG-NKWVEPMBSA-N 214.689 2.083 70 40 BEIB O=S(=O)(Cl)c1cc(Cl)ncc1Cl 104539766 FWUJWVJJFRKPHS-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB CC(C)Cn1cc(NC2=NCCC2)cn1 217802945 GRJOJCXPEFPFAU-UHFFFAOYSA-N 206.293 2.143 70 40 BEIB CC(=O)OCC[Si](C)(Cl)Cl 195764937 PQRDQYBXXDZDBY-UHFFFAOYSA-N 201.125 2.099 70 40 BEIB CCc1cccc(S(=O)(=O)Cl)c1 100441569 VIVGANIZOCUFFE-UHFFFAOYSA-N 204.678 2.177 70 40 BEIB CC(C)C(NC(=O)C1CCN(C)CC1)C(C)C 216919775 AZWLFNIOXGYHSL-UHFFFAOYSA-N 240.391 2.125 70 40 BEIB O=C1CCCc2ccc(S(=O)(=O)Cl)cc21 59079752 MMZRMUIHNXQIRT-UHFFFAOYSA-N 244.699 2.133 70 40 BEIB in-vitro O=S(=O)(Cl)c1nc2ccccc2s1 100272401 HSILAFDVJZUQPI-UHFFFAOYSA-N 233.701 2.224 70 40 BEIB O=S(=O)(Cl)c1ccc(-c2cocn2)cc1 97950270 UIPQZZJYCHEWEL-UHFFFAOYSA-N 243.671 2.269 70 40 BEIB CC[C@H](C)n1ncc(S(=O)(=O)Cl)c1C 100777571 YBMPEXKBYOFHFJ-LURJTMIESA-N 236.724 2.090 70 40 BEIB O=S(=O)(F)Cc1ccccc1Cl 100442671 AUDUPDRUYHEMHN-UHFFFAOYSA-N 208.641 2.139 70 40 BEIB in-vitro Cc1ccc(C)c(CS(=O)(=O)Cl)c1 100066718 HWMTXXADUWPFSI-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB CCOc1ccc(C)c(S(=O)(=O)Cl)c1 103581717 XPHCSEBGHIZXNE-UHFFFAOYSA-N 234.704 2.321 70 40 BEIB CCc1cc(S(=O)(=O)Cl)cs1 100804880 QRLCGDMZWNHXNN-UHFFFAOYSA-N 210.707 2.238 70 40 BEIB C[C@H]1CCc2cc(C(=O)N(C)C)ccc2N1 217515766 AFAKWTKQRUPFFX-VIFPVBQESA-N 218.300 2.135 70 40 BEIB O=S(=O)(Cl)c1cnc2ccccc2c1 72400374 VSAXLHSQUHPTCS-UHFFFAOYSA-N 227.672 2.162 70 40 BEIB in-vitro CC[C@@H](C)NC(=O)Cc1ccc(C)cc1N 217777357 FUEPBQCWPXWMIC-SNVBAGLBSA-N 220.316 2.034 70 40 BEIB Fc1cnc(NCC(F)(F)F)c(F)c1 160370282 QXIURRNFMOBGGT-UHFFFAOYSA-N 212.121 2.334 70 40 BEIB O=S(=O)(Cl)CCc1ccc(Cl)cc1 95698265 RDLOYHZHKDCZHO-UHFFFAOYSA-N 239.123 2.451 70 40 BEIB CCC(=O)c1cccc(S(=O)(=O)Cl)c1 59079743 VVGMPCDOSJNYLL-UHFFFAOYSA-N 232.688 2.207 70 40 BEIB in-vitro O=S(=O)(Cl)c1cnn(C2CCCCC2)c1 103116001 MRPCTQICMIZOMU-UHFFFAOYSA-N 248.735 2.316 70 40 BEIB COC(CN1CCC[C@@H]1CC(C)C)OC 160756249 JRPBZAHUZMDSMV-LLVKDONJSA-N 215.337 2.116 70 40 BEIB NC(=S)[C@@H]1CCC2(C1)SCCS2 217904722 RWPHBHHAORCXKU-ZCFIWIBFSA-N 219.400 2.249 70 40 BEIB O=S(=O)(Cl)c1cc(-c2ccccc2)n[nH]1 110753014 IBHNCBUMLPNXQE-UHFFFAOYSA-N 242.687 2.004 70 40 BEIB Cc1ccc(CC(=O)NC(C)(C)C)c(N)c1 217777533 RLBMXLMDJYXFKR-UHFFFAOYSA-N 220.316 2.034 70 40 BEIB CC[C@H](C)NC(=O)Cc1cc(C)ccc1N 217783832 WHGSBJFKIWNALP-JTQLQIEISA-N 220.316 2.034 70 40 BEIB CCC[C@@H](CCOC)CS(=O)(=O)Cl 103704372 VMYBFTCRAGUNJN-QMMMGPOBSA-N 228.741 2.008 70 40 BEIB O=S(=O)(Cl)[C@@H]1C[C@@H]1c1ccccc1 103710374 FEPOIQPPYDWSBG-RKDXNWHRSA-N 216.689 2.111 70 40 BEIB O=S(=O)(F)C[C@H]1C[C@H]1Cc1ccccc1 1554693370 VNPHBLIEYSREHE-GHMZBOCLSA-N 228.288 2.165 70 40 BEIB CCCCNC(=O)Cc1ccc(C)cc1N 217777250 XDTPIWNBFRRUTO-UHFFFAOYSA-N 220.316 2.036 70 40 BEIB Cc1cc(S(=O)(=O)Cl)nn1C1CCCC1 100805345 IPZQJARTBUROMN-UHFFFAOYSA-N 248.735 2.234 70 40 BEIB Cc1ccc2ncc(S(=O)(=O)Cl)cc2c1 218813868 RPAOZYXHRPNPDE-UHFFFAOYSA-N 241.699 2.471 70 40 BEIB CCOP(=O)(OCC)OCCl 115987444 FWAXWNOGOQKLTC-UHFFFAOYSA-N 202.574 2.380 70 40 BEIB O=S(=O)(Cl)[C@H]1C[C@H]1c1ccccc1 103710362 FEPOIQPPYDWSBG-IUCAKERBSA-N 216.689 2.111 70 40 BEIB COCC[C@@H](CC(C)C)CS(=O)(=O)Cl 103704320 WWPXFWMYBHTUAN-VIFPVBQESA-N 242.768 2.254 70 40 BEIB c1ccc(Cn2cc([C@@H]3OCCS3)nn2)cc1 216749034 JHRDYISGNPISAA-GFCCVEGCSA-N 247.323 2.088 70 40 BEIB Cc1ccc(CC(=O)Nc2nccs2)c(N)c1 217780562 WWDGXWJLCDQYMQ-UHFFFAOYSA-N 247.323 2.215 70 40 BEIB N#Cc1c(Cl)cccc1S(=O)(=O)Cl 100631836 FJRVDPLJNHWGSE-UHFFFAOYSA-N 236.079 2.139 70 40 BEIB O=S(=O)(Cl)c1ccc2ccccc2c1O 104543358 YNTWZNKNUFKRRN-UHFFFAOYSA-N 242.683 2.473 70 40 BEIB OC1=NN=C(c2ccc(F)c(F)c2)[C@@H]2C[C@H]12 217830776 IZVHOLZPAYTUOM-RQJHMYQMSA-N 222.194 2.275 70 40 BEIB Cc1ccc(CC(=O)OCC2CC2)c(N)c1 217780446 JNKCLUBYDWLDTK-UHFFFAOYSA-N 219.284 2.073 70 40 BEIB Cc1cc(S(=O)(=O)Cl)c(C)cc1[N+](=O)[O-] 104547621 MMIUAUMVOALSTJ-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB Cc1c(S(=O)(=O)Cl)cnn1C1CCCC1 100777585 KWBMXRFVPNXHRI-UHFFFAOYSA-N 248.735 2.234 70 40 BEIB CC[C@H](C)OC(=O)Cc1ccc(C)cc1N 217775778 SEIATQVWMJEJGP-JTQLQIEISA-N 221.300 2.461 70 40 BEIB Cc1nn(C)cc1NC1=NCCCCC1 217813658 NEGNFEUSTHDLNJ-UHFFFAOYSA-N 206.293 2.113 70 40 BEIB COc1ccc(Cl)cc1S(=O)(=O)F 105408193 DCTOGTYNLRSWAE-UHFFFAOYSA-N 224.640 2.007 70 40 BEIB CN1CCC[C@@H]1CCCNC(=O)OC(C)(C)C 218324990 DUZJVPAGCYBSSZ-NSHDSACASA-N 242.363 2.386 70 40 BEIB FC(F)(F)Cn1cc(NC2=NCCC2)cn1 217803362 UHOLVERNERTKFQ-UHFFFAOYSA-N 232.209 2.050 70 40 BEIB O=S(=O)(Cl)c1cnc2ccsc2c1 100633195 DKLRUJYGCUCEAK-UHFFFAOYSA-N 233.701 2.224 70 40 BEIB in-vitro O=S(=O)(Br)C1CCCCC1 103603602 ATMCCIFVSUJWBF-UHFFFAOYSA-N 227.123 2.044 70 40 BEIB CO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1 103670433 YFGWWXCXUYLFEF-ZETCQYMHSA-N 234.704 2.322 70 40 BEIB CN1CCC[C@H](C(=O)N(C)C2CCCCC2)C1 216916089 GSQQRAYESXJTKI-LBPRGKRZSA-N 238.375 2.119 70 40 BEIB O=S(=O)(Cl)c1cncc(Cl)c1Cl 100476942 RKXHGORYRFDXNN-UHFFFAOYSA-N 246.502 2.316 70 40 BEIB COC(=O)CC[Si](C)(Cl)Cl 195767091 LWCNCHYFFPUDIH-UHFFFAOYSA-N 201.125 2.099 70 40 BEIB COc1ccc2ccc(OC)c(CNO)c2c1 216825711 RHTNNPRLYYYBJE-UHFFFAOYSA-N 233.267 2.336 70 40 BEIB COc1ccc(-c2cc(N)nc(SC)n2)cc1 217367455 HVDZLPOJMYXGLG-UHFFFAOYSA-N 247.323 2.456 70 40 BEIB O=S(=O)(F)c1ccc(-n2cccc2)cc1 97971570 WVHMNUTWELGLOG-UHFFFAOYSA-N 225.244 2.136 70 40 BEIB in-vitro CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)F 104170517 SXGLQQOTTKYVKM-UHFFFAOYSA-N 246.259 2.166 70 40 BEIB C[C@@H]1CCc2cc(C(=O)NC3CC3)ccc2N1 217516252 JOCABGIGSWPXNC-SECBINFHSA-N 230.311 2.325 70 40 BEIB Cc1ccc(CC(=O)N2CCC[C@H](C)C2)c(N)c1 217778463 MMCBJXYGGXDOJM-LBPRGKRZSA-N 246.354 2.378 70 40 BEIB CCC(=O)c1ccc(OC(=O)OC)cc1 216749407 GGMKOKDLYCAPCJ-UHFFFAOYSA-N 208.213 2.425 70 40 BEIB Cc1c(S(=O)(=O)F)c2ccccc2n1C 105410462 VTKZLOKCDJNIEH-UHFFFAOYSA-N 227.260 2.145 70 40 BEIB CC(C)(C)[SiH2]OC(C)(C)c1ccnc(N)c1 226391243 YTVCDTJDTBZCGY-UHFFFAOYSA-N 238.407 2.218 70 40 BEIB Cc1cc(F)ccc1CS(=O)(=O)Cl 88294318 SDBXWNASKGTXCD-UHFFFAOYSA-N 222.668 2.203 70 40 BEIB in-vitro Cc1ccnc2c(S(=O)(=O)Cl)cccc12 100132510 PLMPTIQXJBKZAC-UHFFFAOYSA-N 241.699 2.471 70 40 BEIB in-vitro O=S(=O)(F)c1cc(Cl)c(O)c(Cl)c1 104158022 WTLHQLIPESCKIJ-UHFFFAOYSA-N 245.058 2.357 70 40 BEIB CSc1ccc(S(=O)(=O)F)cc1 105868884 QAVOFKLIBPKCOW-UHFFFAOYSA-N 206.263 2.067 70 40 BEIB OC1=NN=C(c2ccc(F)cc2F)[C@@H]2C[C@@H]12 217830977 NSJNIHXWVFDHPB-HTQZYQBOSA-N 222.194 2.275 70 40 BEIB O=S(=O)(F)CCNc1ccc(Cl)cc1 100812151 CGOLYKYEMVDHPM-UHFFFAOYSA-N 237.683 2.051 70 40 BEIB COc1cccc(-c2cc(N)nc(SC)n2)c1 217367570 ATPVZFLTFFFTOL-UHFFFAOYSA-N 247.323 2.456 70 40 BEIB CC(C)Nc1ncc(C(F)(F)F)cn1 218730754 OZQFEGPTTDDPSB-UHFFFAOYSA-N 205.183 2.316 70 40 BEIB OC1=NN=C(c2ccc(F)cc2F)[C@@H]2C[C@H]12 217831157 NSJNIHXWVFDHPB-SFYZADRCSA-N 222.194 2.275 70 40 BEIB Cc1ccc(-n2nnc(C(=O)N=[N+]=[N-])c2C)cc1 57477944 LUTUNGVSSQKTOO-UHFFFAOYSA-N 242.242 2.335 70 40 BEIB O=S(=O)(Cl)C[C@@H]1CCC[C@H](F)C1 221655670 HKPAIISMLXCQFG-RQJHMYQMSA-N 214.689 2.083 70 40 BEIB O=S(=O)(Cl)c1c[nH]c2cccc(F)c12 97972438 HCEDXJKFLXWKEL-UHFFFAOYSA-N 233.651 2.235 70 40 BEIB in-vitro O=S(=O)(Cl)c1cscc1Cl 100948447 RHKPSMIYICGGOH-UHFFFAOYSA-N 217.098 2.329 70 40 BEIB O=S(=O)(Cl)c1ccc2scnc2c1 79848967 LDHVFSWXNMEGPU-UHFFFAOYSA-N 233.701 2.224 70 40 BEIB CCCOCC1(c2nc(O)cc(CC)n2)CC1 217797143 BFTKJAVLQPMKCJ-UHFFFAOYSA-N 236.315 2.203 70 40 BEIB O=S(=O)(Cl)c1ccc2cc[nH]c2c1 104545976 XAVWTRDQHMLGOL-UHFFFAOYSA-N 215.661 2.095 70 40 BEIB [N-]=[N+]=NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 13403607 JGLVSQUIQSNVJN-AATRIKPKSA-N 218.172 2.445 70 40 BEIB O=S(=O)(F)c1ccc2c(c1)CCCC2 105401079 AXVFYSMGIXYXMB-UHFFFAOYSA-N 214.261 2.224 70 40 BEIB O=S(=O)(Cl)N1CCC[C@H]2CCCC[C@@H]21 59389857 BNQYEMFKTOEOFX-BDAKNGLRSA-N 237.752 2.125 70 40 BEIB in-vitro Cc1ccc(F)c(S(=O)(=O)Cl)c1F 103625601 HQOOWLCWDQIJIK-UHFFFAOYSA-N 226.631 2.201 70 40 BEIB Cc1ccc2cnccc2c1S(=O)(=O)Cl 100132494 RVCSCBOGKLGIDM-UHFFFAOYSA-N 241.699 2.471 70 40 BEIB CSCc1cccc(S(=O)(=O)Cl)c1 100892511 OEMJIVRPRBFYGP-UHFFFAOYSA-N 236.745 2.477 70 40 BEIB Cc1cc(S(=O)(=O)Cl)c(Cl)nc1C 256050012 CHQFVVSQZKWLLG-UHFFFAOYSA-N 240.111 2.279 70 40 BEIB N=C(N)CC(=O)Nc1cc(Cl)cc(Cl)c1 217745673 YKDWFNACHJJLDU-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB N=C(N)CC(=O)Nc1ccc(Cl)cc1Cl 217745193 BBRYIGQDQBFLOI-UHFFFAOYSA-N 246.097 2.258 70 40 BEIB CN1O[C@H](c2ccccn2)CC12CCC2 217724987 JJSPTWMCKRZJJJ-NSHDSACASA-N 204.273 2.313 70 40 BEIB Cc1cccc(C(C)C)c1NC(=O)CC(=N)N 217752422 OTRJTHZSGXFWLY-UHFFFAOYSA-N 233.315 2.383 70 40 BEIB COCC[C@H](CC(C)C)CS(=O)(=O)Cl 103704315 WWPXFWMYBHTUAN-SECBINFHSA-N 242.768 2.254 70 40 BEIB O=S(=O)(Cl)[C@H]1CCCC[C@H]1Cl 100621626 ZBAQTFQTWCUZFN-RITPCOANSA-N 217.117 2.105 70 40 BEIB in-vitro COCCCc1cc(O)nc(C(C)(C)C)n1 217786909 PYBBNGGNISJNLT-UHFFFAOYSA-N 224.304 2.059 70 40 BEIB CN1CCC(C(=O)N(C)C2CCCCC2)CC1 216923332 SAEIKAWEARQRQK-UHFFFAOYSA-N 238.375 2.119 70 40 BEIB CCc1cc(O)nc(C2(COCC3CC3)CC2)n1 217797480 MAECXRNKRHQIOW-UHFFFAOYSA-N 248.326 2.203 70 40 BEIB CCC[C@@H](C)NC(=O)CC1CCN(C)CC1 216895342 NRFHZLOHBFTYHB-LLVKDONJSA-N 226.364 2.023 70 40 BEIB O=S(=O)(Cl)c1cc(C(F)(F)F)ccn1 100063512 IIPALDGMMNCAEK-UHFFFAOYSA-N 245.609 2.028 70 40 BEIB OC1=NN=C(c2ccc(F)cc2F)[C@H]2C[C@H]12 217831231 NSJNIHXWVFDHPB-YUMQZZPRSA-N 222.194 2.275 70 40 BEIB Cc1ccc(CC(=O)OC(C)C)c(N)c1 217775371 IGYTYZRKMADURD-UHFFFAOYSA-N 207.273 2.071 70 40 BEIB O=S(=O)(Cl)c1ccccc1-c1ncco1 104589240 NZVZLOQJGCDXHS-UHFFFAOYSA-N 243.671 2.269 70 40 BEIB O=S(=O)(Cl)c1ccc(C(F)(F)F)cn1 72400666 MRIFFPWOMKLYKZ-UHFFFAOYSA-N 245.609 2.028 70 40 BEIB in-vitro O=S(=O)(Cl)C[C@H]1CCC[C@H](F)C1 221655618 HKPAIISMLXCQFG-BQBZGAKWSA-N 214.689 2.083 70 40 BEIB O=S(=O)(F)C[C@@H]1C[C@H]1Cc1ccccc1 1554693371 VNPHBLIEYSREHE-MNOVXSKESA-N 228.288 2.165 70 40 BEIB NC(=O)c1cc(-c2ccccn2)nc2ccccc12 216940072 GLEWYZYYIMWLSD-UHFFFAOYSA-N 249.273 2.396 70 40 BEIB CN(C)[SiH2]C(c1ccccc1)c1ccccc1 299754693 HRAMEXCEBWZUEN-UHFFFAOYSA-N 241.410 2.421 70 40 BEIB Cc1cc(S(=O)(=O)Cl)c(F)cc1F 100654677 UHQWNCRFCWGHEX-UHFFFAOYSA-N 226.631 2.201 70 40 BEIB in-vitro CCCCCc1nc(O)cc(CCCOC)n1 217787013 DTSHSMQXPYUZBS-UHFFFAOYSA-N 238.331 2.494 70 40 BEIB CCOCCc1ccc(S(=O)(=O)Cl)cc1 103633220 QJXBVKACYANMST-UHFFFAOYSA-N 248.731 2.193 70 40 BEIB Cc1ccc(CC(=O)N2CCCCC2)c(N)c1 217778067 BJHJEFDVXKPTTI-UHFFFAOYSA-N 232.327 2.132 70 40 BEIB COCCCc1cc(O)nc(C2CCC2)n1 217787460 FRQAEEKEFCUCKF-UHFFFAOYSA-N 222.288 2.029 70 40 BEIB Cc1cccc(CCS(=O)(=O)Cl)c1 95696991 XZSJPDHSGCVMSM-UHFFFAOYSA-N 218.705 2.106 70 40 BEIB CC(C)(C)C(=O)n1cc(C(N)=O)c2ccccc21 216949401 XYNWTQCQVOGGJR-UHFFFAOYSA-N 244.294 2.427 70 40 BEIB O=S(=O)(Cl)CCSc1ccccc1 100641746 DYFWWQKXVNIITC-UHFFFAOYSA-N 236.745 2.347 70 40 BEIB Cc1ccc(CS(=O)(=O)Cl)c(C)c1 103538128 MUAJPNZABACWPA-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB Cc1c(NC2=NCCCCC2)cnn1C 217813779 HFCAYVJMDZHAFJ-UHFFFAOYSA-N 206.293 2.113 70 40 BEIB O=S(=O)(Cl)c1c[nH]c2ccccc12 104534131 QGONQZDATSXDKK-UHFFFAOYSA-N 215.661 2.095 70 40 BEIB COC(=O)c1c(C)n(C(C)=O)c2ccccc12 216948845 BEQYUMDWIDLYCW-UHFFFAOYSA-N 231.251 2.396 70 40 BEIB C[C@H]1CCc2cc(C(=O)NC3CC3)ccc2N1 217516338 JOCABGIGSWPXNC-VIFPVBQESA-N 230.311 2.325 70 40 BEIB CC(C)=C(C)OS(=O)(=O)C(F)(F)F 100623822 ZOTJNLNOJYKPOI-UHFFFAOYSA-N 218.196 2.166 70 40 BEIB O=S(=O)(F)CC(F)(F)c1ccccc1 521398959 NPPNEHMWZPXVKI-UHFFFAOYSA-N 224.203 2.078 70 40 BEIB CC(C)(C)C1CCN(S(=O)(=O)Cl)CC1 88256363 YVFQNPFZUSXBEL-UHFFFAOYSA-N 239.768 2.228 70 40 BEIB in-vitro FC(F)(F)Cn1cc(NC2=NCCCC2)cn1 217806183 DMLBJLYIYMXPAF-UHFFFAOYSA-N 246.236 2.440 70 40 BEIB O=S(=O)(OC1CCCCC1)C(F)(F)F 97950113 VHLRUGZSAQKKLU-UHFFFAOYSA-N 232.223 2.185 70 40 BEIB Cc1ccc(CC(=O)NC2CCCC2)c(N)c1 217779924 IVNCOJYHVODORE-UHFFFAOYSA-N 232.327 2.179 70 40 BEIB Cc1cc(C)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] 100544116 WQYQATRTLGVNEA-UHFFFAOYSA-N 249.675 2.139 70 40 BEIB O=S(=O)(Cl)CC1CCC(F)CC1 221655250 ILFYSKWTAFJWNU-UHFFFAOYSA-N 214.689 2.083 70 40 BEIB O=S(=O)(Cl)c1c(F)c(F)cc(F)c1F 59222005 WQJDRBBQQXGDNZ-UHFFFAOYSA-N 248.584 2.171 70 40 BEIB O=S(=O)(F)c1cc(Cl)cc(Cl)c1O 95850924 ZLIQQQUQVHJBOH-UHFFFAOYSA-N 245.058 2.357 70 40 BEIB F[B-](F)(F)c1ccc(CN2CCCC2)s1 216312846 PPDSIIZNMUSXRU-UHFFFAOYSA-N 234.075 2.398 70 40 BEIB O=S(=O)(Cl)c1ccc(-c2ccon2)s1 95748083 XDOOPXTYGCQGOE-UHFFFAOYSA-N 249.700 2.331 70 40 BEIB Cc1ccc(CC(=O)NCc2ccco2)c(N)c1 217780326 QVXYVTBZDJKDQL-UHFFFAOYSA-N 244.294 2.029 70 40 BEIB COc1ccc(CNC[B-](F)(F)F)c(OC)c1 169808829 QGFGWZKQXFUBLD-UHFFFAOYSA-N 248.033 2.180 70 40 BEIB Cc1ccc(CC(=O)N2CCC(C)CC2)c(N)c1 217778570 FBAJUUOCMMVMLE-UHFFFAOYSA-N 246.354 2.378 70 40 BEIB O=S(=O)(Cl)C[C@@H]1CCC[C@@H](F)C1 221655581 HKPAIISMLXCQFG-RNFRBKRXSA-N 214.689 2.083 70 40 BEIB CCOc1ccc(S(=O)(=O)Cl)c(C)c1 100562993 YOBIIUNWEDKXHN-UHFFFAOYSA-N 234.704 2.321 70 40 BEIB Cc1cc(Cl)ccc1S(=O)(=O)F 104193203 OQXCXFBISRKCOG-UHFFFAOYSA-N 208.641 2.307 70 40 BEIB CCCOc1ccc(-n2cnnc2)cc1 216872422 BDRWIXRDXMZGDM-UHFFFAOYSA-N 203.245 2.056 70 40 BEIB Cc1ccc(N)c(CC(=O)OC(C)(C)C)c1 217782101 RCWJWDNFYTYMFT-UHFFFAOYSA-N 221.300 2.461 70 40 BEIB O=S(=O)(Cl)CCCSC(F)(F)F 97950204 FFJPZNJSVMARCH-UHFFFAOYSA-N 242.671 2.198 70 40 BEIB CC1(COS(=O)(=O)C(F)(F)F)CCC1 110753525 BQJKMJQRGNXKPM-UHFFFAOYSA-N 232.223 2.043 70 40 BEIB Cc1nn(C)c(Cl)c1/C=C/C(=O)N=[N+]=[N-] 15022783 UBYOQQOWGGPTKM-ONEGZZNKSA-N 225.639 2.232 70 40 BEIB Cc1cccc(C)c1S(=O)(=O)Cl 72399746 FKRXAOXJRNLGQK-UHFFFAOYSA-N 204.678 2.231 70 40 BEIB in-vitro CC[C@@H](C)OC(=O)Cc1cc(C)ccc1N 217781897 DLUSIHQXBYKJLI-SNVBAGLBSA-N 221.300 2.461 70 40 BEIB Cc1ccc2cccc(S(=O)(=O)Cl)c2n1 100132489 RPWDAINAYBADIO-UHFFFAOYSA-N 241.699 2.471 70 40 BEIB in-vitro OC1=NN=C(c2ccc(F)cc2F)[C@H]2C[C@@H]12 217831053 NSJNIHXWVFDHPB-JGVFFNPUSA-N 222.194 2.275 70 40 BEIB CCCCCn1cc(S(=O)(=O)Cl)cn1 103612685 RETQSHJGJWGEJB-UHFFFAOYSA-N 236.724 2.001 70 40 BEIB Cc1ccc(CS(=O)(=O)Cl)cc1C 59531207 TZWXEACSEOFCPJ-UHFFFAOYSA-N 218.705 2.372 70 40 BEIB in-vitro Cc1c(S(=O)(=O)Cl)c2ccccc2n1C 100656133 FUBNHHWNQJIKOA-UHFFFAOYSA-N 243.715 2.414 70 40 BEIB in-vitro O=S(=O)(Cl)[C@H]1C[C@@H]1c1ccccc1 103710367 FEPOIQPPYDWSBG-BDAKNGLRSA-N 216.689 2.111 70 40 BEIB COC(CN1CCC[C@H]1CC(C)C)OC 160756128 JRPBZAHUZMDSMV-NSHDSACASA-N 215.337 2.116 70 40 BEIB CC[C@H](C)c1nc(O)cc(CCCOC)n1 217787227 ZZUMQOJAHMBHHL-VIFPVBQESA-N 224.304 2.275 70 40 BEIB N#Cc1sc2ccccc2c1S(=O)(=O)F 101464282 OJBDPDMYENKCGJ-UHFFFAOYSA-N 241.268 2.431 70 40 BEIB CCOC(=O)c1ccc(SC)nc1C 218266152 AAQRRBYQKAZDSG-UHFFFAOYSA-N 211.286 2.289 70 40 BEIB CCC[C@H](C)NC(=O)CC1CCN(C)CC1 216895377 NRFHZLOHBFTYHB-NSHDSACASA-N 226.364 2.023 70 40 BEIB Cc1ccc(N)c(CC(=O)N2CCCCC2)c1 217784522 YBJBGXJNQBEXJN-UHFFFAOYSA-N 232.327 2.132 70 40 BEIB COc1ccc(S(=O)(=O)F)cc1Cl 105408190 XYVGHQCXTLVQCA-UHFFFAOYSA-N 224.640 2.007 70 40 BEIB CCn1nc(C)c(NC2=NCCC2)c1C 217803995 BKKKLXJTVRPKMS-UHFFFAOYSA-N 206.293 2.124 70 40 BEIB Cc1cc(C)c([C@H](C)NC(=O)CC(=N)N)cc1C 217756040 ORIPLPVVDNUBEM-NSHDSACASA-N 247.342 2.115 70 40 BEIB Cc1sc(C)c(S(=O)(=O)Cl)c1C=O 1536222002 UYFMJQGYRVKDHD-UHFFFAOYSA-N 238.717 2.105 70 40 BEIB Cc1ccc(CC(=O)N2CCC[C@@H](C)C2)c(N)c1 217778383 MMCBJXYGGXDOJM-GFCCVEGCSA-N 246.354 2.378 70 40 BEIB CCc1ccccc1S(=O)(=O)Cl 95707678 LIZNEYWXYFVEBF-UHFFFAOYSA-N 204.678 2.177 70 40 BEIB in-vitro CO[C@H](C)c1ccc(S(=O)(=O)Cl)cc1 103670435 YFGWWXCXUYLFEF-SSDOTTSWSA-N 234.704 2.322 70 40 BEIB