smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCP(=O)(c1ccccc1)c1ccccc1 396178 AKTGKEBIBGSCLD-UHFFFAOYSA-N 230.247 3.020 50 50 BGGA biogenic O=C(Cl)c1cc(Cl)cc(Cl)c1 2166928 GGHLXLVPNZMBQR-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA COc1ccc(-c2ccc(CCl)cn2)cc1 3883857 GILJEKJFSNXZHJ-UHFFFAOYSA-N 233.698 3.496 50 50 BGGA CC(C)(C)[Si](C)(C)OCCCCC=O 169746719 YTNNMAIKEURUTO-UHFFFAOYSA-N 216.397 3.377 50 50 BGGA O=C(Cl)/C=C/c1ccc(Cl)cc1 34427962 ZFOVCSTVYYYRSU-ZZXKWVIFSA-N 201.052 3.119 50 50 BGGA in-vitro C[C@H](Oc1ccc(F)cc1Cl)C(=O)Cl 40451346 ATCGXBUVEUKHDO-YFKPBYRVSA-N 237.057 3.012 50 50 BGGA Fc1ccc(CBr)c(Cl)c1 2560065 GAUUDQVOPUKGJD-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro CC(C)(C)OC(=O)N/N=C\CCc1ccccc1 71773722 QQQKJUSLRSBVME-PTNGSMBKSA-N 248.326 3.130 50 50 BGGA Cc1ccc(C(F)(F)F)cc1C(=O)Cl 2382304 MXPJWWPYMSWHBS-UHFFFAOYSA-N 222.593 3.393 50 50 BGGA Cc1ccc(Br)cc1N=C=S 6846412 HNSJTLHUJVEKDQ-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA Fc1cccc(Cl)c1CN=C=S 36532681 BATGRUYLWCJYDZ-UHFFFAOYSA-N 201.653 3.082 50 50 BGGA O=C(CCl)C(F)(F)c1ccc(Cl)cc1 307516069 SIGYIWBGLRNUJL-UHFFFAOYSA-N 239.048 3.240 50 50 BGGA N#Cc1c(N=C=S)ccc(Cl)c1F 15443849 CRXLMUVHVPPSRF-UHFFFAOYSA-N 212.636 3.085 50 50 BGGA O=[N+]([O-])c1ccc(/C=C/CBr)cc1 71196135 IENMSXPRVAEDIW-OWOJBTEDSA-N 242.072 3.003 50 50 BGGA Cc1ccc(N=C=S)c(OC(F)F)c1 2537797 STGJWEVIDZOIID-UHFFFAOYSA-N 215.224 3.331 50 50 BGGA COc1ccc(CBr)cc1Cl 4204313 BDYJMOYDXJQHFS-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA in-vitro CC1=C(C#N)C(c2cccs2)C(C#N)=C(C)N1 19418551 RBKZPIRXHDMMBW-UHFFFAOYSA-N 241.319 3.030 50 50 BGGA C[C@@H](Oc1cccc2ccccc12)C(=O)Cl 40451345 RURKHEGTHHTXJT-SECBINFHSA-N 234.682 3.373 50 50 BGGA CCCCCCCI 59193046 LMHCYRULPLGEEZ-UHFFFAOYSA-N 226.101 3.392 50 50 BGGA CC[C@H](Br)[C@@H](Br)CC 100270610 VCQBYNRFLHNSKA-WDSKDSINSA-N 243.970 3.333 50 50 BGGA COc1c(CCl)cc(C)cc1CCl 2169684 FPINJQKIFFXGML-UHFFFAOYSA-N 219.111 3.481 50 50 BGGA Clc1ccc(OCCBr)cc1 1597125 YYFLBDSMQRWARK-UHFFFAOYSA-N 235.508 3.114 50 50 BGGA in-vitro CC(=O)[C@@H](Cl)Cc1ccccc1Cl 2161798 RXHBDEMLIIWNSA-JTQLQIEISA-N 217.095 3.079 50 50 BGGA Cc1ccc(C(=O)[C@H](C)Br)cc1C 34926241 INDOZXXMTNQGHR-VIFPVBQESA-N 241.128 3.270 50 50 BGGA C/C(=N\[Si](C)(C)C)O[Si](C)(C)C 169743036 SIOVKLKJSOKLIF-CMDGGOBGSA-N 203.434 3.091 50 50 BGGA in-vitro CCN(CC)c1ccc(/C=C/C#N)cc1 2149535 NPWFCIFHEOTMMN-AATRIKPKSA-N 200.285 3.070 50 50 BGGA Cc1ccc(F)c(C(=O)Cl)c1Cl 2574973 XJFKTIHKOKWAEF-UHFFFAOYSA-N 207.031 3.167 50 50 BGGA in-vitro O=C(Cl)c1cc(F)ccc1C(F)(F)F 2575060 VHTVVTDYYXQDHS-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro O=C(CCCl)Nc1ccc2ccccc2c1 5705168 VOAYIAPFTTXPSY-UHFFFAOYSA-N 233.698 3.407 50 50 BGGA Cc1ccc(OCCCBr)cc1C 12480293 CJDDDZNHLXWDEJ-UHFFFAOYSA-N 243.144 3.467 50 50 BGGA in-vitro CC(C)Oc1ccc(OCCCl)cc1 19094127 XCQOVLFPMAISDC-UHFFFAOYSA-N 214.692 3.091 50 50 BGGA in-vitro Cc1ccc(O[C@H](C(=O)Cl)C(C)C)cc1 33433808 UEFHSDRXLCGKST-NSHDSACASA-N 226.703 3.164 50 50 BGGA in-vitro CCCCCCC[C@@H](C)NC(=O)CCl 2159836 LQTKNVGPEBKFAP-SNVBAGLBSA-N 219.756 3.090 50 50 BGGA Cc1nc2ccccc2n1C(F)(F)[C@H](F)Cl 451619 SGTQURWMCRMXGV-VIFPVBQESA-N 248.635 3.428 50 50 BGGA C[C@H](Cl)OC(=O)Oc1ccc(Cl)cc1 3080910 UWHUGYPQDBEUNL-ZCFIWIBFSA-N 235.066 3.440 50 50 BGGA CCN(CC)c1ccc(/C=C\C#N)cc1 34919981 NPWFCIFHEOTMMN-WAYWQWQTSA-N 200.285 3.070 50 50 BGGA Fc1cc(CCl)ccc1Br 49840736 XHHWCSAEYOHMBG-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro OC[C@@H](Cl)c1ccc(Cl)c(Cl)c1 12649372 PUOBBPFPSVWGGQ-MRVPVSSYSA-N 225.502 3.266 50 50 BGGA in-vitro CCOc1ccc(CBr)c(F)c1 116050898 AGWRMDCHTHOCQJ-UHFFFAOYSA-N 233.080 3.119 50 50 BGGA OC[C@H](Cl)c1ccc(Cl)c(Cl)c1 12649377 PUOBBPFPSVWGGQ-QMMMGPOBSA-N 225.502 3.266 50 50 BGGA in-vitro CC(C)(C)OC(=O)c1ccc(CCl)cc1 37597633 UDAULNDFFKITRZ-UHFFFAOYSA-N 226.703 3.381 50 50 BGGA in-vitro O=C=NCCCCCCCCCCCC(=O)O 142986527 DNFCIMLONPUPDU-UHFFFAOYSA-N 241.331 3.308 50 50 BGGA COC(=C(C#N)C#N)c1cccc2ccccc12 2528521 XQWRQOZYYLGZMS-UHFFFAOYSA-N 234.258 3.244 50 50 BGGA in-vitro CSc1ccc(-c2noc(CCl)n2)cc1 12649268 ZJYKULKXAUPCTN-UHFFFAOYSA-N 240.715 3.197 50 50 BGGA CCCCCCCCS(=O)(=O)CCCl 2545674 FROTZJPMAKCYCF-UHFFFAOYSA-N 240.796 3.001 50 50 BGGA FC(F)(F)c1cnc(CCl)c(Cl)c1 2555786 NUSXEDNPFNWFDQ-UHFFFAOYSA-N 230.016 3.493 50 50 BGGA in-vitro CCCC/C(C)=N/NC(=O)C1[C@H]2CCCC[C@H]12 100315820 LFFGZUFRDXCPGM-ZQVVPALOSA-N 236.359 3.105 50 50 BGGA CC(C)(C)[Si](C)(C)OC1(CC=O)CC1 216391007 DHQHYAJJUXLKJM-UHFFFAOYSA-N 214.381 3.130 50 50 BGGA O=C(CCl)Nc1ccc(Cl)cc1Cl 161251 KRUAPYSYOURFRC-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA in-vitro CCc1cccc(C)c1NC(=O)CCCl 5477429 GAXIAWWBGISFDT-UHFFFAOYSA-N 225.719 3.125 50 50 BGGA in-vitro F[C@@H]([C@H](Cl)C(F)(F)F)C(F)(F)F 63457965 YCBUFAWATXHLGJ-LWMBPPNESA-N 218.499 3.057 50 50 BGGA in-vitro ClCc1ncc(Cl)cc1Br 91692952 OQXXOPQFDWXJOG-UHFFFAOYSA-N 240.915 3.236 50 50 BGGA N#CC(C#N)=Cc1cccc2ccccc12 282988 HNVAUTUJXUMGPH-UHFFFAOYSA-N 204.232 3.270 50 50 BGGA S=C=Nc1ccccc1CBr 19737456 RTIRHCXJRGZELP-UHFFFAOYSA-N 228.114 3.316 50 50 BGGA CC(C)(Oc1cccc(Cl)c1)C(=O)Cl 40451396 APIFOAYYAGFCQN-UHFFFAOYSA-N 233.094 3.263 50 50 BGGA N#C[C@@H]1[C@H]2C=C[C@H]1[C@@H](Cl)c1ccccc12 254487418 ISCVLTPNIFSFPS-SQNXGDPESA-N 215.683 3.389 50 50 BGGA S=C=Nc1ccn(Cc2ccccc2Cl)n1 2536526 FQSXESPDTDXRMO-UHFFFAOYSA-N 249.726 3.319 50 50 BGGA CC1=CC(=C(C#N)C#N)C=C(c2ccccc2)O1 289781 MUDHLZDDQIUVAD-UHFFFAOYSA-N 234.258 3.305 50 50 BGGA Cc1cc(Br)cc(CCl)c1 95762100 NKAXQEBCRBZOJQ-UHFFFAOYSA-N 219.509 3.496 50 50 BGGA in-vitro CC[C@H](Br)C(=O)c1ccccc1 1704903 NDHOJNYNXYLUCR-VIFPVBQESA-N 227.101 3.043 50 50 BGGA in-vitro Cc1ccc(CN(CCCl)CCCl)cc1 95749527 VUZQZEAXMQHUMJ-UHFFFAOYSA-N 246.181 3.275 50 50 BGGA c1cc(SSc2ccns2)sn1 98052699 MLRAMCAHIWHWRM-UHFFFAOYSA-N 232.380 3.399 50 50 BGGA in-vitro Fc1ccc(CCCBr)cc1 49651088 SCVWLBZEYMAAHN-UHFFFAOYSA-N 217.081 3.153 50 50 BGGA in-vitro FC(F)(F)C(CBr)C(F)(F)F 2525249 BQNGWIBVQDAJNJ-UHFFFAOYSA-N 244.960 3.122 50 50 BGGA in-vitro CCOC(=O)c1cc(CC)sc1N=C=S 2537448 BNICADDGDCDEQY-UHFFFAOYSA-N 241.337 3.222 50 50 BGGA COC(=O)c1cc(CCl)c(CCl)s1 2537409 XJYXRUSGVNNWHN-UHFFFAOYSA-N 239.123 3.012 50 50 BGGA CC(=O)CCCO[Si](C)(C)C(C)(C)C 196061353 HYMOZAQHSDGTIS-UHFFFAOYSA-N 216.397 3.377 50 50 BGGA Cc1cc(O[C@@H](C)C(=O)Cl)cc(C)c1Cl 33435069 GZCMIOVDMJERDM-QMMMGPOBSA-N 247.121 3.490 50 50 BGGA O=C(CBr)c1ccccc1C1CC1 307001545 CBBGDRMOYBJAIH-UHFFFAOYSA-N 239.112 3.142 50 50 BGGA CCCOc1ccc(C=O)cc1CCl 40350481 ZDDKUEAHJKSNKP-UHFFFAOYSA-N 212.676 3.027 50 50 BGGA C[C@@H](Br)C(=O)c1cccc(Cl)c1 2509748 OFNMQTRHMBQQEA-ZCFIWIBFSA-N 247.519 3.306 50 50 BGGA in-vitro CCCCCC(=O)N/N=C(/C)c1cccs1 4992220 ZAAJVZZJFMRMNQ-RAXLEYEMSA-N 238.356 3.169 50 50 BGGA C=C(CCl)COCc1ccc(OC)cc1 43199208 WTWCOPCCLYWPBX-UHFFFAOYSA-N 226.703 3.007 50 50 BGGA Fc1cc(F)c(CCBr)c(F)c1 199552785 CXIWXQWYAVIRCN-UHFFFAOYSA-N 239.034 3.041 50 50 BGGA Cc1cc(C)n(-c2ccccc2CCl)n1 19090357 RIMBRTNFUHAKOR-UHFFFAOYSA-N 220.703 3.228 50 50 BGGA in-vitro Cc1cccc(C(C)C)c1NC(=O)CCl 1616780 MELPBOXLVQNGPR-UHFFFAOYSA-N 225.719 3.296 50 50 BGGA in-vitro C=CCCCCCI 71786760 FAGSTZYMNCELHI-UHFFFAOYSA-N 224.085 3.168 50 50 BGGA CCCCCC/C(C)=C(\C#N)C(=O)OCC 2172014 WBEHYHSVLNHFFS-VAWYXSNFSA-N 223.316 3.360 50 50 BGGA Fc1cccc(CBr)c1Cl 59796716 AQQPRCFCKCXWGZ-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C 169747585 GBFVZTUQONJGSL-UHFFFAOYSA-N 226.348 3.301 50 50 BGGA O=C(CCl)Cc1cc(Cl)cc(Cl)c1 306837123 VBLUUYYCNBFWHS-UHFFFAOYSA-N 237.513 3.344 50 50 BGGA Cc1cc(C)c(NC(=O)CCCl)c(C)c1 6255224 QQSDUFSTDSMUBD-UHFFFAOYSA-N 225.719 3.179 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1 196320556 LRENCRSBPCQZAY-LLVKDONJSA-N 229.440 3.150 50 50 BGGA in-vitro N#CSCCCOc1ccc(Cl)cc1 2880636 ZZKBQDGVANPQEE-UHFFFAOYSA-N 227.716 3.323 50 50 BGGA CCCCC[Si](OCC)(OCC)OCC 169810939 FHVAUDREWWXPRW-UHFFFAOYSA-N 234.412 3.225 50 50 BGGA CC(C)COC(=O)C(C)(C)CCCCl 2507097 KPAZLWVDWUAYII-UHFFFAOYSA-N 220.740 3.231 50 50 BGGA in-vitro O=C(CCCl)c1ccc(Br)cc1 1668579 SYWQQEVHZPPLNQ-UHFFFAOYSA-N 247.519 3.261 50 50 BGGA in-vitro BrCc1ccc(Br)cc1 559395 YLRBJYMANQKEAW-UHFFFAOYSA-N 249.933 3.344 50 50 BGGA CCN1C(=C(C#N)C#N)C=Cc2cc(C)ccc21 3158782 XINHKNWFVWHDRL-UHFFFAOYSA-N 235.290 3.149 50 50 BGGA COC(=O)C(C)(C)CO[Si](C)(C)C(C)(C)C 196068022 ZIYMGGHOKXREEH-UHFFFAOYSA-N 246.423 3.207 50 50 BGGA O=C(Cl)[C@@H]1[C@H]2c3cccc4cccc(c34)[C@H]21 254898636 WGKLVCLRTYFFEQ-ITGUQSILSA-N 228.678 3.416 50 50 BGGA Cc1nc(-c2ccccc2)sc1N=C=O 4277313 FWBAVPZUNSTTRF-UHFFFAOYSA-N 216.265 3.086 50 50 BGGA N#Cc1ccc(N=C=S)c(Br)c1 15443843 TXSYSARBLBVCHQ-UHFFFAOYSA-N 239.097 3.055 50 50 BGGA I[C@H]1N=Nc2ccccc21 263623392 HBGLWXKQJTYUOF-ZETCQYMHSA-N 244.035 3.218 50 50 BGGA Fc1cc(F)c(CCl)c(Br)c1 263624372 PUZCQHLEHRUQSO-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA CC1(C)CC(CBr)CC(C)(C)O1 306900898 FSOOELPAFRDVFP-UHFFFAOYSA-N 235.165 3.365 50 50 BGGA Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@H]43)[C@@H]12 104279441 XHVCLSVMXDWLKI-LLUXQZEWSA-N 227.134 3.065 50 50 BGGA CC(C)c1ccc(NC(=O)[C@@H](C)Cl)cc1 3410636 RBSDGOJYCXDTEV-SECBINFHSA-N 225.719 3.376 50 50 BGGA in-vitro Fc1cc(Cl)cc(CBr)c1 732128 PKSAHOPFPPAUOD-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro O=C(CCl)Nc1cc(Cl)ccc1Cl 1586538 JFNUGEOTKCWVJW-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA in-vitro ClCc1nc2cc(Br)ccc2[nH]1 37441970 OWLMBJLZMJBNQJ-UHFFFAOYSA-N 245.507 3.064 50 50 BGGA in-vitro C[C@@H](COC(=O)Cl)c1ccccc1[N+](=O)[O-] 43199376 LRWLGGPRIFYAPO-ZETCQYMHSA-N 243.646 3.074 50 50 BGGA O=C=NCC(c1ccccc1)c1ccccc1 12957591 SANCUGBZSMVASH-UHFFFAOYSA-N 223.275 3.154 50 50 BGGA O=C(CCl)Nc1ccc(Cl)c(Cl)c1 166792 UOCOWKGCPPCUMT-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA O=C(CBr)c1cc2ccccc2o1 158630 NVRNCBWTEDOAQA-UHFFFAOYSA-N 239.068 3.010 50 50 BGGA in-vitro FC(F)(F)Oc1ccccc1CCl 153319 ZGXDTWNEZOBSBJ-UHFFFAOYSA-N 210.582 3.324 50 50 BGGA in-vitro CCc1cccc(C)c1NC(=O)[C@@H](C)Cl 19487098 SQRWOFAIQJTPLO-SECBINFHSA-N 225.719 3.123 50 50 BGGA CC(=O)[C@@H]1CCC=C(O[Si](C)(C)C)C1 169812879 ZESFOKNRBCCKRM-SNVBAGLBSA-N 212.365 3.111 50 50 BGGA CC(C)(C)[Si](C)(C)OCCBr 169743413 JBKINHFZTVLNEM-UHFFFAOYSA-N 239.229 3.403 50 50 BGGA in-vitro Cc1cc(Br)cc(C(=O)Cl)c1 67800141 VLMVTVHLPOCPAZ-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA O=Cc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 147214717 XSKIOFZCLKCLPM-MRVPVSSYSA-N 238.592 3.005 50 50 BGGA Fc1cc(CBr)c(F)c(F)c1F 2382106 WTKVWOHBTGWNEO-UHFFFAOYSA-N 242.997 3.138 50 50 BGGA C=C(C)C[S@@](=O)O[Si](CC)(CC)CC 170163404 IINRMKPFRWLCIW-ZDUSSCGKSA-N 234.437 3.248 50 50 BGGA Fc1cc(Cl)ccc1CBr 161640 UFCSSWZQROEFBZ-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro O=P1(CCl)Cc2ccccc2C1 2575553 IFROZTORLDDWBN-UHFFFAOYSA-N 200.605 3.260 50 50 BGGA BrCCCCOc1ccccc1 1758359 QBLISOIWPZSVIK-UHFFFAOYSA-N 229.117 3.241 50 50 BGGA in-vitro N#CSc1cc([N+](=O)[O-])c2cccccc1-2 3086326 YPYXEKNGAIHKJC-UHFFFAOYSA-N 230.248 3.273 50 50 BGGA Fc1c(F)c(F)c(N=C=S)c(F)c1F 4269631 NGNKMRBGZPDABE-UHFFFAOYSA-N 225.141 3.116 50 50 BGGA in-vitro O=C=Nc1ccc(C(F)(F)F)cc1Cl 2387318 NEURYOYRKPFLKH-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA in-vitro CC(=O)[C@H]1CCC=C(O[Si](C)(C)C)C1 169812882 ZESFOKNRBCCKRM-JTQLQIEISA-N 212.365 3.111 50 50 BGGA Cc1cc(C)c(C(=O)CSC#N)c(C)c1 4698055 YZXAAAGYIWNFLW-UHFFFAOYSA-N 219.309 3.009 50 50 BGGA BrCc1ccc2ncccc2c1 11535864 ZPTNKPYDDZEAPA-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro O=C(Cl)c1cc2c(s1)CCCCC2 20248559 YPRCPTYRZQKXEV-UHFFFAOYSA-N 214.717 3.396 50 50 BGGA CC(C)(C#N)c1ccc(CBr)cc1 82864462 VSTXAWAMUHWZBE-UHFFFAOYSA-N 238.128 3.383 50 50 BGGA in-vitro O=C(Cl)c1cc(Cl)ccc1Cl 4792487 RSINFFVFOTUDEC-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA in-vitro C[C@@H]1CCC/C(=N\NC(=O)Nc2ccccc2)C1 4947957 AXFUEEARSJFJTJ-IVDGFRAVSA-N 245.326 3.374 50 50 BGGA Cc1cc(C)c(NC(=O)C(Cl)Cl)c(C)c1 442384 SEERKYJROPJRCZ-UHFFFAOYSA-N 246.137 3.354 50 50 BGGA ClC(Cl)C(Cl)(Cl)Cl 40454302 BNIXVQGCZULYKV-UHFFFAOYSA-N 202.295 3.160 50 50 BGGA in-vitro CC1(C)[C@@H]2C[C@@H]1CC=C2CBr 100097993 SNAIDRDMHGKCAX-DTWKUNHWSA-N 215.134 3.374 50 50 BGGA COc1cc(CBr)ccc1Cl 34120115 PLBDOPBECRIDKT-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA CCCCCCI 1699881 ANOOTOPTCJRUPK-UHFFFAOYSA-N 212.074 3.002 50 50 BGGA in-vitro Fc1cc(CCl)cc(F)c1Br 238588763 JAGSVXRVXZVIGB-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA N#CC(C#N)=Cc1ccc(N2CCCCC2)cc1 885601 HLAGCEWHZAVNHG-UHFFFAOYSA-N 237.306 3.107 50 50 BGGA FC(F)Oc1ccccc1CBr 2556404 JSYYKHKAGPBIHF-UHFFFAOYSA-N 237.043 3.183 50 50 BGGA in-vitro BrCc1cccc2cccnc12 158600 IAAUGSYGHOFWEW-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA biogenic,in-vitro N=C(CCl)NCC12CC3CC(CC(C3)C1)C2 1731895 BHEVBOIHAIYALC-UHFFFAOYSA-N 240.778 3.008 50 50 BGGA Fc1ccccc1COCCCBr 44126914 IQMYFYCKVNRNOP-UHFFFAOYSA-N 247.107 3.127 50 50 BGGA N#CSc1cccc(F)c1Br 604221675 RXXCIYCQWDHMJI-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA Cc1cccc(CBr)c1F 159333 DCGWFNZSJBIAKE-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro Cc1ccc(OC(F)F)c(N=C=S)c1 2537798 VRVDSTNYPUVEPX-UHFFFAOYSA-N 215.224 3.331 50 50 BGGA O=C(Cl)C1(c2ccccc2)CCCC1 11833314 NOYKUYNVZHTPCI-UHFFFAOYSA-N 208.688 3.264 50 50 BGGA in-vitro FC(F)(F)c1cccc(N=C=S)c1 164702 GFEPANUKFYVALF-UHFFFAOYSA-N 203.188 3.440 50 50 BGGA in-vitro Cc1cccc(Cl)c1NC(=O)OCCCl 2172141 FKSQSMLNFHKEBJ-UHFFFAOYSA-N 248.109 3.436 50 50 BGGA O=C(Cl)Cc1cccc2ccccc12 2555904 DSVAZLXLRDXHKO-UHFFFAOYSA-N 204.656 3.148 50 50 BGGA in-vitro CCCC/C(C)=N/NC(=O)c1cc(C)oc1C 4964578 IKJBPUDMJTZZNQ-NTEUORMPSA-N 236.315 3.192 50 50 BGGA C[C@H](Br)C(=O)c1cccc(Cl)c1 3284958 OFNMQTRHMBQQEA-LURJTMIESA-N 247.519 3.306 50 50 BGGA in-vitro CCOC(=O)c1cc(N=C=S)ccc1Cl 31829477 PYFNFPMNERQSOK-UHFFFAOYSA-N 241.699 3.251 50 50 BGGA BrC1[C@]23CC=CC[C@@]12CCC3 101038063 KFRLLHBETPZOCF-NXEZZACHSA-N 213.118 3.270 50 50 BGGA CC(C)(C)OC(=O)N1CCCC[C@@H]1CCl 72194520 NJEQIEAONVBZAW-SECBINFHSA-N 233.739 3.015 50 50 BGGA COc1ccc(CCCCBr)cc1 32144523 ORLVTTVUPUULCW-UHFFFAOYSA-N 243.144 3.413 50 50 BGGA O=C(CCl)Nc1cccc2ccccc12 1561898 CVRUANQADYCNLO-UHFFFAOYSA-N 219.671 3.017 50 50 BGGA in-vitro Cc1ccc(N=C=S)c(Br)c1 2390065 DQXSCOWMTPPFCJ-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA in-vitro O=C=NCCc1ccc(-c2ccccc2)cc1 2509900 MNLXNPZLWAYHNL-UHFFFAOYSA-N 223.275 3.232 50 50 BGGA Fc1ccccc1CCCBr 49651086 VFAHCURDJBNWCN-UHFFFAOYSA-N 217.081 3.153 50 50 BGGA in-vitro CC(C)(C)c1ccc(CC(=O)CCl)cc1 220401460 SSOIZPBINWYPGB-UHFFFAOYSA-N 224.731 3.335 50 50 BGGA FC1(F)CCC[C@H]1CCBr 166627523 MLRUHYNGXBPAQE-LURJTMIESA-N 213.065 3.207 50 50 BGGA O=C(Cl)c1ccc(-c2ccccn2)s1 2576776 NAWHORNTKSFUCQ-UHFFFAOYSA-N 223.684 3.189 50 50 BGGA C=CCO[C@@H]1Oc2ccc(Cl)cc2C=C1C#N 71766192 HWTMSGJSLLHDQN-CYBMUJFWSA-N 247.681 3.168 50 50 BGGA Cc1oc(-c2cccs2)nc1CCl 215809 PLUQESCJPNWDFO-UHFFFAOYSA-N 213.689 3.450 50 50 BGGA in-vitro Cl[C@H]1[C@H]2C[C@@H](c3ccccc32)[C@H]1Cl 103851843 LSZRQYDYYAPANK-XWLWVQCSSA-N 213.107 3.486 50 50 BGGA C/C(CC(C)C)=N/NC(=O)Nc1ccccc1 4957629 CMDRPZWMFUXYRN-PTNGSMBKSA-N 233.315 3.230 50 50 BGGA BrCc1cc2ccccc2o1 26422714 ARJOJUQBOMFBDN-UHFFFAOYSA-N 211.058 3.328 50 50 BGGA in-vitro O=C(Cl)Oc1cccc(C(F)(F)F)c1 2389327 VOQHHELXYARECQ-UHFFFAOYSA-N 224.565 3.443 50 50 BGGA CO[Si](CC(C)C)(CC(C)C)OC 169806492 NHYFIJRXGOQNFS-UHFFFAOYSA-N 204.386 3.033 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CC2)CN1 1772820650 BBXUNNIXUWUZAY-NSHDSACASA-N 241.451 3.150 50 50 BGGA O=C(Cl)c1cc(OC(F)(F)F)ccc1F 2527811 DMQPJSTXNSFZCH-UHFFFAOYSA-N 242.555 3.103 50 50 BGGA CC(C)N(C(=O)CCl)C1CCCCCC1 1875369894 OVNCASKYPKNUAD-UHFFFAOYSA-N 231.767 3.185 50 50 BGGA C=CP(c1ccccc1)c1ccccc1 1761879 AJVBXLXLODZUME-UHFFFAOYSA-N 212.232 3.263 50 50 BGGA O=C(Cl)c1ccc(Cl)nc1C(F)(F)F 263623153 FDSXPEXYFTVJJX-UHFFFAOYSA-N 243.999 3.133 50 50 BGGA Cc1ccc(C(=O)Cl)cc1C(F)(F)F 2382308 KKGAVDJJVMSTSV-UHFFFAOYSA-N 222.593 3.393 50 50 BGGA in-vitro O[C@H](CCCl)c1ccc(Br)cc1 34484203 STJKBOMYDGMFKB-SECBINFHSA-N 249.535 3.111 50 50 BGGA O=C(Cl)c1ccccc1C(=O)c1ccccc1 33434990 GJJVTLOHDLKVFS-UHFFFAOYSA-N 244.677 3.297 50 50 BGGA ClCc1cc(Cl)cnc1Br 238516235 DAAMCMDAOIWBBN-UHFFFAOYSA-N 240.915 3.236 50 50 BGGA CC(C)(C)OC(=O)Nc1nc(CCl)cs1 39123751 NYMXQKNNEPFDPR-UHFFFAOYSA-N 248.735 3.229 50 50 BGGA CN(C(=S)Cl)c1ccccc1Cl 2506712 HXZBXLJQMMWKEN-UHFFFAOYSA-N 220.124 3.300 50 50 BGGA CCOC(=O)/C(C#N)=C(\CC)Cc1ccccc1 22015373 UAYIQAGIQQJSDX-BUHFOSPRSA-N 243.306 3.022 50 50 BGGA Clc1sccc1CBr 26893970 MEOQMCFEBDERJS-UHFFFAOYSA-N 211.511 3.296 50 50 BGGA in-vitro C=CCCCCCC[Si](OC)(OC)OC 170154986 RKLXSINPXIQKIB-UHFFFAOYSA-N 232.396 3.001 50 50 BGGA Cc1cc(O)c(C(C)C)cc1SC#N 165572 JCBPZRGUDJXNCD-UHFFFAOYSA-N 207.298 3.397 50 50 BGGA N#C/C(=C1/Nc2ccccc2C1=O)c1ccccc1 110767998 KMXPWAQWOVKAIV-SQFISAMPSA-N 246.269 3.230 50 50 BGGA O=C(CCCl)Nc1cc2c(s1)CCCC2 1775965120 VFGUXJVRGPNVJU-UHFFFAOYSA-N 243.759 3.194 50 50 BGGA O=C(Cl)c1csc(-c2ccccc2)n1 2582852 ZZFOIDMEHXGBKS-UHFFFAOYSA-N 223.684 3.189 50 50 BGGA in-vitro S=C(Cl)Oc1ccc(Cl)cc1 403296 BQIABQCJXBELMT-UHFFFAOYSA-N 207.081 3.243 50 50 BGGA in-vitro O=C(Cl)c1cccc(C(F)(F)F)c1F 2600074 RIKGRFSGIOOYEK-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA CCCCCC(=O)NN=C1CCCCCC1 4992121 FNXJAUIRDGWQFL-UHFFFAOYSA-N 224.348 3.393 50 50 BGGA N#CSc1ccc(F)c(Br)c1 604221681 UFQCMTVEHGLNNP-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA O=C(CCl)[C@H]1CC12CCC(F)(F)CC2 1857784596 ORRXQSIDWONCQI-SSDOTTSWSA-N 222.662 3.010 50 50 BGGA CC(C)(C)c1ccc(C(=O)N=C=S)cc1 164263 ISBLKWMZWUQAJN-UHFFFAOYSA-N 219.309 3.227 50 50 BGGA in-vitro C=CP(=O)(c1ccccc1)c1ccccc1 157921 CQCGPNRIAFVNBY-UHFFFAOYSA-N 228.231 3.144 50 50 BGGA biogenic,in-vitro COc1ccc(CBr)c(Cl)c1 12359133 UIOYCWAQKOLSMA-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA in-vitro O=CC1=C[C@@H]2C=Cc3ccccc3[C@@H]2S1 335882 JYFBWDRXXNFRDH-GXFFZTMASA-N 214.289 3.200 50 50 BGGA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Cl 40451347 ATCGXBUVEUKHDO-RXMQYKEDSA-N 237.057 3.012 50 50 BGGA Cc1ccc(NC(=O)C(Cl)Cl)c(C)c1 458024 NGDHPRNJFMJLSM-UHFFFAOYSA-N 232.110 3.046 50 50 BGGA CCO[Si](CCCN)(C(C)C)C(C)C 169808781 FSMHYZUFHYGNHS-UHFFFAOYSA-N 217.429 3.137 50 50 BGGA FC(F)(F)c1cnc(N=C=S)c(Cl)c1 238578943 SYNADKXYDGKEPG-UHFFFAOYSA-N 238.621 3.488 50 50 BGGA Fc1c(F)c(F)c(CCl)c(F)c1F 1845855 ZLNVRXFZTPRLIK-UHFFFAOYSA-N 216.536 3.121 50 50 BGGA in-vitro O=C(OC(=O)C1CCCCC1)C1CCCCC1 85930038 JOHUAELJNSBTGS-UHFFFAOYSA-N 238.327 3.217 50 50 BGGA in-vitro CCCCCCCCOC(=O)CCl 1584029 NNXMXUSTTDFBDE-UHFFFAOYSA-N 206.713 3.129 50 50 BGGA N#CC(C#N)=Cc1ccc(-c2ccccc2)o1 406409 GBXQNRXVJPVKJY-UHFFFAOYSA-N 220.231 3.377 50 50 BGGA CC(=O)[C@@H](Cl)Cc1cccc(Cl)c1 2161927 DSQMQTAIPYXOIB-JTQLQIEISA-N 217.095 3.079 50 50 BGGA O=C(Cl)c1cccc(SC(F)F)c1 2382197 RLWSFTJAJPGBMY-UHFFFAOYSA-N 222.643 3.380 50 50 BGGA Fc1ccc(CCBr)cc1Cl 81991206 GXTAPCZZZBYYPK-UHFFFAOYSA-N 237.499 3.417 50 50 BGGA in-vitro Cc1cccc(OCCCBr)c1C 4951311 WQJLOZXIOCMMJX-UHFFFAOYSA-N 243.144 3.467 50 50 BGGA C=C(CCBr)CCBr 952958940 MEEDPTGIFYLOQJ-UHFFFAOYSA-N 241.954 3.113 50 50 BGGA ClCc1nc2cc(Cl)ccc2o1 169840 SMGVJNOYBXYDFB-UHFFFAOYSA-N 202.040 3.220 50 50 BGGA in-vitro CC[C@@H](Oc1ccccc1Cl)C(=O)Cl 36720640 RKCZDSUAJYDITF-MRVPVSSYSA-N 233.094 3.263 50 50 BGGA CC(C)(C)[Si](C)(C)OC1CCC(N)CC1 197177701 ISXIKNULHMXZTR-UHFFFAOYSA-N 229.440 3.278 50 50 BGGA in-vitro Cn1cccc1/C=C(/C#N)c1ccccc1F 5028063 KNSBXNOQNZYLBI-LUAWRHEFSA-N 226.254 3.228 50 50 BGGA BrCCSc1ccccc1 5227326 UEFBOQYLXLEJSM-UHFFFAOYSA-N 217.131 3.174 50 50 BGGA FC(F)(F)C(F)(F)CCCBr 202049156 VGHJIMUCRCZUOV-UHFFFAOYSA-N 240.997 3.359 50 50 BGGA Cn1cccc1/C=C(/C#N)c1cccc(F)c1 4825842 PNRATKLIRYKAHP-XFXZXTDPSA-N 226.254 3.228 50 50 BGGA N#C[C@H]1[C@H]2C=C[C@H]1[C@@H](Cl)c1ccccc12 104286129 ISCVLTPNIFSFPS-RYDUCSDGSA-N 215.683 3.389 50 50 BGGA S=C=Nc1cnn(Cc2ccccc2Cl)c1 2536586 UTAURSNRCJNDDK-UHFFFAOYSA-N 249.726 3.319 50 50 BGGA Fc1cccc(N=C=S)c1Br 169170128 BIANPLKOXXZKJV-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA O=CC1=C[C@H]2C=Cc3ccccc3[C@H]2S1 335884 JYFBWDRXXNFRDH-MFKMUULPSA-N 214.289 3.200 50 50 BGGA Cc1cccc(C)c1NC(=O)C(Cl)Cl 1669886 ZBRUDTTYIRXMSM-UHFFFAOYSA-N 232.110 3.046 50 50 BGGA BrC(Br)c1ccccc1 1845957 VCJZTATVUDMNLU-UHFFFAOYSA-N 249.933 3.475 50 50 BGGA Cc1ccc(NC(=O)NCCCl)cc1Cl 8729971 JJAJCWGIDJCMPF-UHFFFAOYSA-N 247.125 3.009 50 50 BGGA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)Cl 33434580 GVWQBKJUJKANEE-UHFFFAOYSA-N 238.714 3.098 50 50 BGGA CC(C)c1ccc(CC(=O)CCl)cc1 1857781667 SHKBWUPXHSNJOC-UHFFFAOYSA-N 210.704 3.160 50 50 BGGA C[C@@H](Cl)C(=O)N[C@H](c1ccco1)C(C)(C)C 1875364249 KBFSKXRGMAUZAA-PSASIEDQSA-N 243.734 3.110 50 50 BGGA C[C@H](COC(=O)Cl)c1ccccc1[N+](=O)[O-] 43199377 LRWLGGPRIFYAPO-SSDOTTSWSA-N 243.646 3.074 50 50 BGGA CCOC(=O)c1ccc(C(C)(C)CCl)cc1 71776844 KZXSORINFFQBCQ-UHFFFAOYSA-N 240.730 3.380 50 50 BGGA Cc1ccc(CBr)cc1F 2382214 YOACSNDETIDTAY-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro FC(F)(F)c1ccccc1N=C=S 164694 FCEKLQPJGXIQRY-UHFFFAOYSA-N 203.188 3.440 50 50 BGGA in-vitro O[C@H](CCl)Cc1ccc(-c2ccccc2)cc1 201369694 SFHXNWGGDWFBBR-HNNXBMFYSA-N 246.737 3.496 50 50 BGGA N#CSCC(=O)c1ccc(Cl)cc1Cl 2507530 XYNNFKLKIQXPHS-UHFFFAOYSA-N 246.118 3.390 50 50 BGGA in-vitro N#CC1=C(N)C[C@]23CC=CC[C@]12CCCC3 45027796 VCZZHJSTGJXBAB-KGLIPLIRSA-N 214.312 3.023 50 50 BGGA C[C@@H]1[C@H]2C[C@@H](C[C@]23OC[C@@H](CCl)O3)C1(C)C 167348040 ARRMJBMUKXIDRB-UYNYGYNWSA-N 244.762 3.039 50 50 BGGA Cc1cccc(C(=O)NN=C2CCCCC2)c1 301540 IKGHARNWSOVCMO-UHFFFAOYSA-N 230.311 3.045 50 50 BGGA Cc1[nH]c2ccc(F)cc2c1C(=O)CCl 529529 PEVAKAZWPQUQQX-UHFFFAOYSA-N 225.650 3.037 50 50 BGGA in-vitro CCCOc1ccc(CCl)cc1[N+](=O)[O-] 2026163 ZIKJFHBRKDTXGE-UHFFFAOYSA-N 229.663 3.122 50 50 BGGA Cc1cccc(C)c1OCCCSC#N 2880585 FSDQDFFRIOXRLW-UHFFFAOYSA-N 221.325 3.287 50 50 BGGA Cc1ccc(Cl)c(OCCBr)c1 19093784 DGTRQYPWARXPLQ-UHFFFAOYSA-N 249.535 3.422 50 50 BGGA Cc1ccc(/C=C(\C#N)c2ccccn2)cc1 4547653 KEVAWTUYPHXEIQ-GXDHUFHOSA-N 220.275 3.454 50 50 BGGA Cc1c(Br)cccc1C(=O)Cl 16125053 JUNGKBUTMUFRGV-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA in-vitro CCc1ccc(/C=C(/C#N)C(=N)S)s1 30750766 LBSBSALAZSKZBQ-ALCCZGGFSA-N 222.338 3.125 50 50 BGGA Cc1nc2ccccc2n1C(F)(F)[C@@H](F)Cl 451618 SGTQURWMCRMXGV-SECBINFHSA-N 248.635 3.428 50 50 BGGA O=C=Nc1ccc(SC(F)(F)F)cc1 2243604 NYQSIHZNEJCZKX-UHFFFAOYSA-N 219.187 3.266 50 50 BGGA in-vitro CC(CCBr)CCBr 1641739 YDPZWUMQKMLLHC-UHFFFAOYSA-N 243.970 3.193 50 50 BGGA Fc1cc(Br)ccc1CCl 2389456 UDKQGFMDBMYVHI-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro BrCCCCOCc1ccccc1 2530753 ZQRVGYAMRJVUAK-UHFFFAOYSA-N 243.144 3.378 50 50 BGGA in-vitro C=C[C@@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C 169836193 RZMKWPFIUOJBNR-MNOVXSKESA-N 230.424 3.191 50 50 BGGA O=C=Nc1ccc(Cl)cc1C(F)(F)F 152293 SBDPJLJFODHSFF-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA COc1cc(N=C=S)c(OC)cc1Cl 164844 BQNKXQJYPPPUCN-UHFFFAOYSA-N 229.688 3.092 50 50 BGGA in-vitro Clc1cc(CBr)cc(Cl)n1 2510220 XDKGMGJZRFOZRV-UHFFFAOYSA-N 240.915 3.283 50 50 BGGA in-vitro N#CC(C#N)=Cc1ccc(Cl)cc1Cl 42529 RRVZSQGJZJMCAE-UHFFFAOYSA-N 223.062 3.424 50 50 BGGA in-vitro Fc1ccc(F)c(CCl)c1Br 143891982 MOMXVFHULHDBSC-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA O=C(CCl)Nc1c(Cl)cccc1Cl 1069418 CZAFLRAOEDDMCS-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA CC[C@H](C)c1ccc(NC(=O)CCl)cc1 3268033 VHCITOVVEMWCKN-VIFPVBQESA-N 225.719 3.377 50 50 BGGA in-vitro Cc1cccc(C(C)(C)C)c1NC(=O)CCl 1616349 JYNOTRFRRIKTHZ-UHFFFAOYSA-N 239.746 3.470 50 50 BGGA C[C@@H]1CCc2c(C(=O)Cl)csc2C1 40451415 RUZYUHUCGVUZGR-ZCFIWIBFSA-N 214.717 3.252 50 50 BGGA COc1cccc([C@@H](F)CBr)c1 257968508 JBXGRNGFEZIBDX-VIFPVBQESA-N 233.080 3.101 50 50 BGGA CC(C)(C)c1ccc(NC(=O)[C@@H](F)Cl)cc1 1875359007 QMEONYMIUSIQSF-SNVBAGLBSA-N 243.709 3.457 50 50 BGGA O=C=Nc1ccc(Oc2ccccc2)cc1 2560446 PNBUGOFIKAHZRW-UHFFFAOYSA-N 211.220 3.446 50 50 BGGA in-vitro CCOC(=O)CCCC[C@H](Cl)CCCl 2039989 RFYDWSNYTVVKBR-VIFPVBQESA-N 241.158 3.346 50 50 BGGA in-vitro I[C@@H]1N=Nc2ccccc21 263623391 HBGLWXKQJTYUOF-SSDOTTSWSA-N 244.035 3.218 50 50 BGGA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Cl)c1 40451332 SNGGCRDGXFFCJJ-ZETCQYMHSA-N 233.094 3.181 50 50 BGGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Cl 34139743 XZZVZSVCQGUKOJ-KXUCPTDWSA-N 202.725 3.460 50 50 BGGA Cc1cc(CBr)cc(F)c1F 223237267 VLHBFGSWDOSWFS-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA BrCc1cccc2ccncc12 35269687 HMNMLTSJDRYDLV-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro CCOC(=O)/C(C#N)=C\c1c(C)cc(C)cc1C 4947435 RJBWWXGYWGHFMC-JYRVWZFOSA-N 243.306 3.082 50 50 BGGA COc1ccc(CCCBr)cc1 12953799 CPHLODVMQBMDNC-UHFFFAOYSA-N 229.117 3.023 50 50 BGGA N#CSc1cnc(NC2CCCCC2)s1 372377 GKTKKZVFCLAHQX-UHFFFAOYSA-N 239.369 3.461 50 50 BGGA ClCc1nc(Cl)c2ccccc2n1 38540015 PMBABTLGYWFWBZ-UHFFFAOYSA-N 213.067 3.022 50 50 BGGA in-vitro C/C(=N\NC(=O)OC(C)(C)C)c1ccc(C)cc1 7947407 LLPNFQCJEFMGKK-RVDMUPIBSA-N 248.326 3.244 50 50 BGGA N#Cc1ccc(Cl)cc1CBr 39261977 FKNQHVPLFJLZEV-UHFFFAOYSA-N 230.492 3.107 50 50 BGGA c1ccc(SSc2ccccn2)nc1 2564040 HAXFWIACAGNFHA-UHFFFAOYSA-N 220.322 3.276 50 50 BGGA biogenic,in-vitro Fc1ccc(Cl)c(CBr)c1 2382065 AUVLFQDKJFSFIX-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro Cc1ccnc(-c2cc(CCl)ccn2)c1 79790476 UHTKTJKJDJOOKE-UHFFFAOYSA-N 218.687 3.191 50 50 BGGA in-vitro CC1(C)OB(/C=C\CCCCl)OC1(C)C 195879335 FYHBHADHHWPOFL-VURMDHGXSA-N 230.544 3.193 50 50 BGGA CC[C@@H](Br)C(=O)c1ccccc1 1995621 NDHOJNYNXYLUCR-SECBINFHSA-N 227.101 3.043 50 50 BGGA in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Cl 4977013 VNMCKLVHDJADEB-OUAUKWLOSA-N 232.751 3.229 50 50 BGGA C[C@@H](Br)c1ccccc1F 57214304 VYBHHNJUTAAMCG-ZCFIWIBFSA-N 203.054 3.282 50 50 BGGA in-vitro BrCc1cccc(C2CC2)c1 84193887 ZZNNBZHQOBXNPE-UHFFFAOYSA-N 211.102 3.459 50 50 BGGA in-vitro CCCCC(O)(CCCC)COCCCl 71773409 CIDAYQIKUKRYJQ-UHFFFAOYSA-N 236.783 3.353 50 50 BGGA CC(C)(C)OC(=O)N1CCCC[C@H]1CCl 72194521 NJEQIEAONVBZAW-VIFPVBQESA-N 233.739 3.015 50 50 BGGA C[C@@H](Br)c1ccc([N+](=O)[O-])cc1 37177242 LLTKPPRBFXTUKH-ZCFIWIBFSA-N 230.061 3.051 50 50 BGGA O=C(CCl)c1ccc(Cl)cc1Cl 155415 VYWPPRLJNVHPEU-UHFFFAOYSA-N 223.486 3.415 50 50 BGGA O=C(NN=C1CCCCC1)Nc1ccccc1 497990 ZGKWAFMEHBCUBN-UHFFFAOYSA-N 231.299 3.128 50 50 BGGA COc1cc(CCl)c(OC)cc1Cl 1673667 AZGPAIZCNKGNDP-UHFFFAOYSA-N 221.083 3.096 50 50 BGGA CCc1cccc(C)c1NC(=O)OCCCl 2162150 XCKVOYVARLDVPI-UHFFFAOYSA-N 241.718 3.345 50 50 BGGA FC(F)(F)Oc1ccccc1N=C=S 164750 ZFEJYPIWOGCCFS-UHFFFAOYSA-N 219.187 3.320 50 50 BGGA in-vitro FC(F)(F)C[C@H](Cl)C(F)(F)F 63148570 PREWBNUKNNTMHC-REOHCLBHSA-N 200.509 3.109 50 50 BGGA in-vitro BrCc1cccc2c1CCCC2 95828799 UHWOGTUHRSSIEO-UHFFFAOYSA-N 225.129 3.460 50 50 BGGA in-vitro Cc1cccc(NC(=O)C(Cl)Cl)c1C 2172833 USQDXPUFFLAJEB-UHFFFAOYSA-N 232.110 3.046 50 50 BGGA Clc1cccc(CCBr)c1 2529022 LKPWGXCMVLJRIK-UHFFFAOYSA-N 219.509 3.277 50 50 BGGA ICCCc1ccccc1 2566217 RGCKJSPKMTWLLX-UHFFFAOYSA-N 246.091 3.054 50 50 BGGA COc1ccc(-c2cc(CCl)on2)cc1 169506 UAVKQZLQYPVICE-UHFFFAOYSA-N 223.659 3.089 50 50 BGGA in-vitro Cc1oc(C(C)(C)C)cc1C(=O)Cl 2559284 QWHLGIQXPRQHQN-UHFFFAOYSA-N 200.665 3.265 50 50 BGGA in-vitro Cc1c(Cl)cccc1NC(=O)[C@H](C)Cl 12504896 WYZJPDWXOMIWMT-ZETCQYMHSA-N 232.110 3.214 50 50 BGGA CCCCCCCC/C=C/[C@H]1CC(=O)OC1=O 100013246 UWERUIGPWOVNGG-VMPCVLLUSA-N 238.327 3.383 50 50 BGGA in-vitro CCCCCCCC[C@@H](CCl)NC(C)=O 3121665 CPMNJWUFKRCDFS-LBPRGKRZSA-N 233.783 3.481 50 50 BGGA C[C@H](Cl)C(=O)N[C@H](c1ccco1)C(C)(C)C 1875364254 KBFSKXRGMAUZAA-WCBMZHEXSA-N 243.734 3.110 50 50 BGGA BrC[C@@H]1CCc2ccccc2C1 71786009 MUGPULGJDGEABF-SECBINFHSA-N 225.129 3.186 50 50 BGGA N#Cc1ccc(Cl)c(CBr)c1 113759080 PEUFAERJRRTSBW-UHFFFAOYSA-N 230.492 3.107 50 50 BGGA O=C(CCCCl)c1ccc(F)cc1 1561635 HXAOUYGZEOZTJO-UHFFFAOYSA-N 200.640 3.027 50 50 BGGA in-vitro CC(C)(C)OC(=O)c1cccc(N=C=S)c1 2507582 WUMCWUULWWVQGT-UHFFFAOYSA-N 235.308 3.376 50 50 BGGA O=C(F)c1ccc(C(F)(F)F)c(Cl)c1 2540212 WOWQBKFFFFXDJO-UHFFFAOYSA-N 226.556 3.469 50 50 BGGA CCCC/C(C)=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252320689 LFFGZUFRDXCPGM-WYTJHSDVSA-N 236.359 3.105 50 50 BGGA O=CC1=C[C@H]2C=Cc3ccccc3[C@@H]2S1 335885 JYFBWDRXXNFRDH-ZWNOBZJWSA-N 214.289 3.200 50 50 BGGA Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@@H]43)[C@@H]12 104279446 XHVCLSVMXDWLKI-OZUJPDTISA-N 227.134 3.065 50 50 BGGA O=C(CCl)n1c2c(c3ccccc31)CCCC2 506380 XXPWYQUDJSSRCP-UHFFFAOYSA-N 247.725 3.399 50 50 BGGA Fc1cc(CCl)cc(Br)c1F 263623712 JYFYEWDURNCDLY-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA Cc1ccc(C(=O)[C@@H](C)Br)cc1C 34926240 INDOZXXMTNQGHR-SECBINFHSA-N 241.128 3.270 50 50 BGGA O=C(CCCl)Nc1ccc(Cl)cc1F 6329731 FIXJACKSCVRNAK-UHFFFAOYSA-N 236.073 3.047 50 50 BGGA in-vitro O=C(Cl)c1ccc(-c2ccc(F)cc2)o1 4699581 LAICLIOPDMJLFC-UHFFFAOYSA-N 224.618 3.465 50 50 BGGA in-vitro Br[C@@H]1[C@@]23CC=CC[C@@]12CCC3 254301877 KFRLLHBETPZOCF-ILWJIGKKSA-N 213.118 3.270 50 50 BGGA BrCc1cccc(Br)c1 1845655 ZPCJPJQUVRIILS-UHFFFAOYSA-N 249.933 3.344 50 50 BGGA in-vitro CCCCOc1ccc(NC(=O)CCl)cc1 1648963 YNHCGDPOENMRSK-UHFFFAOYSA-N 241.718 3.043 50 50 BGGA N#CC(C#N)=CNc1ccc(Cl)c(Cl)c1 4541705 ZTEXQPDTYROPHT-UHFFFAOYSA-N 238.077 3.336 50 50 BGGA Fc1ccc(C(F)(F)CBr)cc1 71790018 BVIIGXXOEJRCEE-UHFFFAOYSA-N 239.034 3.312 50 50 BGGA CC(C)(C)[Si](C)(C)OCCCCCN 195925216 KDNASZJDCUBCQD-UHFFFAOYSA-N 217.429 3.137 50 50 BGGA O=C=Nc1cccc(Cc2ccccc2)c1 2526511 OUMFOCWUDYJGHI-UHFFFAOYSA-N 209.248 3.245 50 50 BGGA in-vitro ClCc1ccc(OCc2ccccc2)cn1 38540514 CTWNTPDUEZHHNW-UHFFFAOYSA-N 233.698 3.399 50 50 BGGA in-vitro CC/C(=N\NC(=O)OC(C)(C)C)C(C)(C)C 145487525 GBQCWTIAMWDUCH-UKTHLTGXSA-N 228.336 3.323 50 50 BGGA in-vitro CCN(CC)c1ccc(SC#N)cc1 402449 SVMDBXQNDZXPND-UHFFFAOYSA-N 206.314 3.106 50 50 BGGA CC(C)SC(=O)N[C@H]1CCCC[C@@H]1Cl 5381434 UVDJEJWHJILBRX-IUCAKERBSA-N 235.780 3.388 50 50 BGGA N#CC1=C(N)C[C@@]23CC=CC[C@]12CCCC3 101036475 VCZZHJSTGJXBAB-KBPBESRZSA-N 214.312 3.023 50 50 BGGA O=C(Cl)c1cc(F)cc(C(F)(F)F)c1 2600077 BGAKSLBTFLVNAH-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro CCO[Si](OCC)(OCC)C1CCCCC1 169877022 ATGKAFZFOALBOF-UHFFFAOYSA-N 246.423 3.369 50 50 BGGA O=C/C=C(\Cl)c1ccc(Cl)cc1 2019358 IWQMAUVMLFGNGU-UITAMQMPSA-N 201.052 3.119 50 50 BGGA in-vitro C[C@@H]1[C@H]2C[C@@H](C[C@@]23OC[C@H](CCl)O3)C1(C)C 239274793 ARRMJBMUKXIDRB-LNSPPBFMSA-N 244.762 3.039 50 50 BGGA O=C(CCl)Nc1ccc2ccccc2c1 1561899 WGOVKTOWGFKZED-UHFFFAOYSA-N 219.671 3.017 50 50 BGGA in-vitro C[Si](C)(C)C1(CBr)CC1 169829576 BUROLJIDYQAHIC-UHFFFAOYSA-N 207.187 3.254 50 50 BGGA CC(=O)[C@H](Cl)Cc1ccc(Cl)cc1 2162093 KKCOSJVILRLIBA-SNVBAGLBSA-N 217.095 3.079 50 50 BGGA ICC1CCCCC1 1621882 CXHHAWACKSPTFF-UHFFFAOYSA-N 224.085 3.002 50 50 BGGA in-vitro Cc1cc(Cl)ccc1NC(=O)OCCCl 2170863 HAHMMGNQWWXXBD-UHFFFAOYSA-N 248.109 3.436 50 50 BGGA Cc1ccc(Cl)c(O[C@H](C)C(=O)Cl)c1 40451333 SNGGCRDGXFFCJJ-SSDOTTSWSA-N 233.094 3.181 50 50 BGGA Cc1ccc(C)c(NC(=O)OCCCl)c1 2171549 SWEUILAIGJXZBV-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA O=C(Cl)Cc1ccc(Cl)cc1Cl 2382625 RYXAJKPGHHNCSO-UHFFFAOYSA-N 223.486 3.301 50 50 BGGA O=C=Nc1cc(Br)ccc1Cl 20283535 FPGDDXYUBBNEOC-UHFFFAOYSA-N 232.464 3.070 50 50 BGGA in-vitro CC[C@@H](Oc1cccc(Cl)c1)C(=O)Cl 36720644 ZTMRGMNBDJDUQD-SECBINFHSA-N 233.094 3.263 50 50 BGGA O=C(Cl)Oc1ccc(Br)cc1 389520 IKMNJYGTSSQNSE-UHFFFAOYSA-N 235.464 3.187 50 50 BGGA ClCc1ccccc1Br 2390016 DDVSFIUKWUTKES-UHFFFAOYSA-N 205.482 3.188 50 50 BGGA in-vitro N#C/C(=C\c1ccco1)c1cccc(C#N)c1 4821200 KCSQJPSVVLRPGD-MDWZMJQESA-N 220.231 3.215 50 50 BGGA CCCCOc1ccc(C(=O)Cl)cc1OC 33434876 UTEDXHLVHFRYSN-UHFFFAOYSA-N 242.702 3.253 50 50 BGGA CC(C)N(C(=O)CCl)[C@@H](C)c1ccsc1 1875369852 MDMVBNGOASIESF-VIFPVBQESA-N 245.775 3.285 50 50 BGGA O=C(Cl)C1[C@@H]2c3cccc4cccc(c34)[C@@H]12 101021432 WGKLVCLRTYFFEQ-VXGBXAGGSA-N 228.678 3.416 50 50 BGGA CCO[C@]1(O[Si](C)(C)C)CC1(C)C 169806698 MCXGHANREPGGGX-JTQLQIEISA-N 202.370 3.001 50 50 BGGA in-vitro Cc1cccc(OCCBr)c1C 19093754 QROMNSZEJTVAEQ-UHFFFAOYSA-N 229.117 3.077 50 50 BGGA Cc1ccccc1NC(=O)NNc1ccccc1 1599080 BZAHFGQJODYVQO-UHFFFAOYSA-N 241.294 3.144 50 50 BGGA N#CC(C#N)=Cc1ccc(NC2CCCCC2)o1 395946 YHQMCKKGSXWKPV-UHFFFAOYSA-N 241.294 3.455 50 50 BGGA O=C=Nc1cccc(COc2ccccc2)c1 12370745 CXYJFMVKSSTBDJ-UHFFFAOYSA-N 225.247 3.233 50 50 BGGA in-vitro O=N[C@H](Cl)Cc1c(Cl)cccc1[N+](=O)[O-] 71780447 NGERERQBVQSBEM-QMMMGPOBSA-N 249.053 3.122 50 50 BGGA Clc1ccc2nc(C(Cl)Cl)cn2c1 216716901 YAJOMTAXXZEXFF-UHFFFAOYSA-N 235.501 3.464 50 50 BGGA COc1ccc(Cl)c(CBr)c1 32914672 GHKLXXBWQJOXKB-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA CC(C)OP(=O)(Cl)OC(C)C 72399739 GUFGWNUUDBGEGH-UHFFFAOYSA-N 200.602 3.183 50 50 BGGA in-vitro CC(C)(C=O)CO[Si](C)(C)C(C)(C)C 169828679 PLPBSUJOMPJZJF-UHFFFAOYSA-N 216.397 3.233 50 50 BGGA Cc1cc(F)cc(CBr)c1F 263624459 QSDBINQLZGMDEK-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA O=C(Cl)c1cccc2c1-c1ccccc1C2=O 2166932 XKCGWCQMEUASJF-UHFFFAOYSA-N 242.661 3.277 50 50 BGGA CC(C)(C)c1ccc(C(=O)Cl)s1 2548207 RVDLHGSZWAELAU-UHFFFAOYSA-N 202.706 3.425 50 50 BGGA Cc1ccc(OCCCBr)cc1 1871247 QEBSDQBQKRVQHJ-UHFFFAOYSA-N 229.117 3.159 50 50 BGGA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Cl 36720648 LGEVIMQAAQJLEC-SECBINFHSA-N 233.094 3.263 50 50 BGGA ClC[C@H](Cl)C(Cl)(Cl)Cl 100111123 ZXPCCXXSNUIVNK-REOHCLBHSA-N 216.322 3.203 50 50 BGGA in-vitro N#C[C@H]1[C@H]2C=C[C@H]1[C@H](Cl)c1ccccc12 254487419 ISCVLTPNIFSFPS-ZBAXXZLZSA-N 215.683 3.389 50 50 BGGA CC1=C(C#N)C2(CCCCC2)C(C#N)=C(C)N1 19908289 SDROFXSJNCLDKS-UHFFFAOYSA-N 227.311 3.135 50 50 BGGA O=C(CBr)c1ccc2ccccc2c1 119264 YHXHHGDUANVQHE-UHFFFAOYSA-N 249.107 3.417 50 50 BGGA ClCc1ccc(Br)cc1 1846490 BSIIGUGKOPPTPZ-UHFFFAOYSA-N 205.482 3.188 50 50 BGGA in-vitro Fc1cccc(F)c1-c1ccc(CCl)nn1 143791055 BTWSUTRSRTVBHI-UHFFFAOYSA-N 240.640 3.161 50 50 BGGA FC(F)(F)Oc1cccc(CCl)c1 16158665 KUIGSVZJAYCTLN-UHFFFAOYSA-N 210.582 3.324 50 50 BGGA in-vitro ClCc1nc(Cl)c2sccc2n1 59072792 LZDCMEOZULXJHX-UHFFFAOYSA-N 219.096 3.084 50 50 BGGA in-vitro C[C@H](Cl)OC(=O)Oc1cc(F)ccc1F 1534067573 IIHHXJMFTJJBEA-RXMQYKEDSA-N 236.601 3.065 50 50 BGGA CCOC(=O)/C(C#N)=C(\C)c1cccc(Cl)c1 116507411 XVDQGRBZCSVHQH-FMIVXFBMSA-N 249.697 3.200 50 50 BGGA COc1cccc([C@H](F)CBr)c1 257968505 JBXGRNGFEZIBDX-SECBINFHSA-N 233.080 3.101 50 50 BGGA C[C@H](Br)C(=O)c1ccc(Cl)cc1 2162002 SAKMPXRILWVZEG-LURJTMIESA-N 247.519 3.306 50 50 BGGA in-vitro Cc1cccc(C)c1OCCCBr 36723860 OILQSIAPINGGQJ-UHFFFAOYSA-N 243.144 3.467 50 50 BGGA Fc1ccc(OCCCCBr)cc1 4291214 SESKDKZVNDEQBM-UHFFFAOYSA-N 247.107 3.380 50 50 BGGA BrC1CC(OCc2ccccc2)C1 85513636 UVNCCVPQXGEHGE-UHFFFAOYSA-N 241.128 3.129 50 50 BGGA in-vitro C/C=C(O[Si](C)(C)C)/C(C)=C/OC 170162349 SSGAQVOLXCOJGN-AZRUORMVSA-N 200.354 3.292 50 50 BGGA CC(=O)N(/N=C/c1ccccc1)c1ccccc1 4826039 SAQPQTJNTSEMJN-FOWTUZBSSA-N 238.290 3.074 50 50 BGGA C=C(C)[C@H]1CCC(C)=C1CC/C(C)=N/NC(N)=O 273098 YLEXIIDWHBFOPU-PILJQMSFSA-N 249.358 3.113 50 50 BGGA biogenic CCCOc1ccc(C(=O)Cl)cc1OCC 33434877 WCWRHEYSAIWEGD-UHFFFAOYSA-N 242.702 3.253 50 50 BGGA Fc1cc(Br)cc(CCl)c1 57403683 QNVSLUFLTUOQNT-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro O=C(Cl)c1c(Cl)cccc1Cl 2242595 JBLIDPPHFGWTKU-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA in-vitro S=C=Nc1cnn(Cc2ccc(Cl)cc2)c1 2536588 NANPICMJAIPQIY-UHFFFAOYSA-N 249.726 3.319 50 50 BGGA Fc1cc(N=C=S)ccc1Br 2506745 MKIPLYFZXZBXGO-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA CC[C@@H](Br)[C@H](Br)CC 2561337 VCQBYNRFLHNSKA-PHDIDXHHSA-N 243.970 3.333 50 50 BGGA F[C@H]([C@H](Cl)C(F)(F)F)C(F)(F)F 63457966 YCBUFAWATXHLGJ-NHYDCYSISA-N 218.499 3.057 50 50 BGGA in-vitro Cc1cc(CBr)cc(C)c1F 71867250 VWOKJGNBUPEMGW-UHFFFAOYSA-N 217.081 3.337 50 50 BGGA N#C/C(=C/c1cccnc1)c1ccccc1 5041176 OSDJNRJWFCHJNQ-ZROIWOOFSA-N 206.248 3.146 50 50 BGGA FC(F)(F)c1ccc(CBr)o1 161832 YNHVBNGRNNVEMD-UHFFFAOYSA-N 228.995 3.193 50 50 BGGA in-vitro CC(C)O[P@](C)(=O)O[Si](C)(C)C 195781388 SVOLQKHGSREJLY-NSHDSACASA-N 210.286 3.086 50 50 BGGA CCc1ccc(-c2nnc(CCl)o2)cc1 336012 BLUCZEFJZQABRS-UHFFFAOYSA-N 222.675 3.038 50 50 BGGA CC(C)(C)C(=O)C(C#N)=C(O)Nc1ccccc1 2049286314 VVDLDGLXRKPRQN-UHFFFAOYSA-N 244.294 3.007 50 50 BGGA Fc1c(Br)cccc1CCl 49135169 KQLBOTQKXUSZMJ-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro Cc1ccc2[nH]c(C)c(C(=O)CCl)c2c1 19725170 KJBYAQDNSRYUBO-UHFFFAOYSA-N 221.687 3.206 50 50 BGGA BrCc1ccc(-c2ncco2)cc1 66054962 WCQXLMNESIAZAA-UHFFFAOYSA-N 238.084 3.237 50 50 BGGA O=C(CCl)Oc1ccc(Cl)cc1Cl 71774052 QOJOYPCBUONELI-UHFFFAOYSA-N 239.485 3.138 50 50 BGGA CCCc1ccc([C@H](C)NC(=O)CCl)cc1 19094390 RJWMQYIQUROZOP-JTQLQIEISA-N 239.746 3.055 50 50 BGGA C=CCOc1ccccc1CBr 96024871 FVGKNGMMYQMREC-UHFFFAOYSA-N 227.101 3.146 50 50 BGGA in-vitro Cc1ccc(NC(=O)CCCl)cc1Cl 1671440 AYHNLFKWLFKEDB-UHFFFAOYSA-N 232.110 3.216 50 50 BGGA in-vitro Clc1ccccc1CCBr 2529021 AECBVDLERUETKG-UHFFFAOYSA-N 219.509 3.277 50 50 BGGA in-vitro Cc1cc(C(=O)CBr)ccc1Cl 152660 LUCPZLPBUCDKQE-UHFFFAOYSA-N 247.519 3.226 50 50 BGGA CCOC(=O)/C(C#N)=C(\C)c1ccc(Cl)cc1 32182012 ULFXBBFIXRQJBY-FMIVXFBMSA-N 249.697 3.200 50 50 BGGA in-vitro O=C(CCl)[C@@H]1CC12CCC(F)(F)CC2 1857784597 ORRXQSIDWONCQI-ZETCQYMHSA-N 222.662 3.010 50 50 BGGA O=C(Cl)c1ccc(C(F)(F)F)c(F)c1 2560178 DPDAEMNQJYDHRQ-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro C[C@H](Cl)C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 1875366969 SCKOWFWZZGAMOZ-KWBADKCTSA-N 249.741 3.075 50 50 BGGA Fc1ccc(Cl)cc1CBr 2382087 DJXBUSVMEONVRS-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro Cl[C@H]1C=C[C@@H](Cl)[C@@H]2[C@@H](Cl)[C@@H](Cl)[C@@H]12 257346710 OWAYRJCKLCVBJA-DPCUATEDSA-N 245.964 3.232 50 50 BGGA COc1c(C)c(C)c(OC)c(CCl)c1C 117824156 SMLUDDUGVGGKKX-UHFFFAOYSA-N 228.719 3.368 50 50 BGGA Cc1ccc(/C(C#N)=C\c2cccn2C)cc1 4501688 UCUFNOBLWDLCHK-UVTDQMKNSA-N 222.291 3.398 50 50 BGGA C=C[Si](C)(C=C)O[Si](C)(C=C)C=C 170153849 BKPKTOIGWIYKJZ-UHFFFAOYSA-N 210.425 3.054 50 50 BGGA O=C(Cl)c1ccc(Cl)c(Cl)c1 2140813 VTXNOVCTHUBABW-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA F[C@@H](CBr)c1ccccc1 77032199 UIXWOQZATLBVFH-QMMMGPOBSA-N 203.054 3.092 50 50 BGGA OCCCCCCCCCBr 2597012 USJDOLXCPFASNV-UHFFFAOYSA-N 223.154 3.104 50 50 BGGA in-vitro O=C(Nc1cccc(Cl)c1)C(Cl)Cl 138701 LCMVVAIGAFVRAL-UHFFFAOYSA-N 238.501 3.082 50 50 BGGA ClCc1cccn2c(C3CCCC3)nnc12 40449842 JVTYUCSBEUTLOC-UHFFFAOYSA-N 235.718 3.126 50 50 BGGA Cc1ccc(CN[C@H]2CC=C(C#N)CC2)cc1 1875288958 NFGJUKOMXLXOIX-HNNXBMFYSA-N 226.323 3.087 50 50 BGGA O=C(Cl)/C=C/c1ccc(Br)cc1 34511401 YLABICHHIYWLQM-ZZXKWVIFSA-N 245.503 3.228 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OC1=CCOCC1 169964499 DQIJILDZEDNAJS-UHFFFAOYSA-N 214.381 3.312 50 50 BGGA in-vitro CCOC(=O)[C@H](Cl)c1ccccc1Cl 50978558 NXKKNHRMRKOKRR-SECBINFHSA-N 233.094 3.183 50 50 BGGA O=C(Cl)Cc1ccc(F)c(C(F)(F)F)c1 147777194 YDPHTXVMOJQQQG-UHFFFAOYSA-N 240.583 3.152 50 50 BGGA O=C(Cl)CCCCCCCBr 113633632 JHGJURXAOMDIBR-UHFFFAOYSA-N 241.556 3.487 50 50 BGGA Cc1ccc(C(=O)NN=C2CCCCC2)cc1 231887 WMRFTCLBKFXSTG-UHFFFAOYSA-N 230.311 3.045 50 50 BGGA S=C=Nc1cccc(Br)c1 2504432 ZMGMGHNOACSMQN-UHFFFAOYSA-N 214.087 3.183 50 50 BGGA in-vitro Fc1c(Cl)cccc1CBr 159624 HYILLTADABKYHO-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro O=C(Cl)c1ccc(C(F)(F)F)cc1 1847577 OXZYBOLWRXENKT-UHFFFAOYSA-N 208.566 3.084 50 50 BGGA in-vitro Cc1cccc(F)c1CBr 71790254 LSAOKFGJYQSNFU-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro Cc1cccc(OC(C)(C)C(=O)Cl)c1C 33433797 SWIZSCQQZUXXIC-UHFFFAOYSA-N 226.703 3.226 50 50 BGGA CC(=C(C#N)C#N)c1ccc(Cl)cc1 125904 WJXJNOHGXBNAIV-UHFFFAOYSA-N 202.644 3.161 50 50 BGGA COc1ccc(C(C)=O)cc1C(Cl)Cl 238352232 ITZIVVGLRLOEDD-UHFFFAOYSA-N 233.094 3.374 50 50 BGGA O=C=Nc1ccccc1Cc1ccccc1 2583599 GLYMYAJKKMZFQT-UHFFFAOYSA-N 209.248 3.245 50 50 BGGA in-vitro Cc1ccc(-c2nc(CCl)co2)cc1 20281036 BDBSCLXNKPOINL-UHFFFAOYSA-N 207.660 3.389 50 50 BGGA Cc1ccc2nc(C(Cl)Cl)cn2c1 97971799 KIAVJOMMUUAJQI-UHFFFAOYSA-N 215.083 3.119 50 50 BGGA in-vitro BrCCCCc1ccccc1 1575647 XPBQQAHIVODAIC-UHFFFAOYSA-N 213.118 3.404 50 50 BGGA in-vitro ClCc1cc(Br)cs1 20475277 JOPVYZZZKLTMMD-UHFFFAOYSA-N 211.511 3.249 50 50 BGGA in-vitro O=C(CCl)C[C@H]1CCCCC12CC2 1857786777 ZCOIMZBLJWYMKW-SECBINFHSA-N 200.709 3.155 50 50 BGGA C=C(Br)CCCCBr 3070112 ZQYMDDGPWMLFGI-UHFFFAOYSA-N 241.954 3.460 50 50 BGGA OC(CCl)(c1ccccc1)c1ccccc1 1656331 OIWPMKVQRVMTQU-UHFFFAOYSA-N 232.710 3.161 50 50 BGGA Cc1cc(C)c2c(N)c(/C=C/C#N)sc2n1 2561473 NBUQJUKDIASGCB-ONEGZZNKSA-N 229.308 3.032 50 50 BGGA CN(C)c1ccc(/C=C/C=C/C=C(C#N)C#N)cc1 207583801 BFARWNGBCHXSTB-GGWOSOGESA-N 249.317 3.296 50 50 BGGA CCOP(c1ccccc1)c1ccccc1 155977 JCRCPEDXAHDCAJ-UHFFFAOYSA-N 230.247 3.071 50 50 BGGA in-vitro O=C(Cl)C1[C@H]2c3cccc4cccc(c34)[C@H]12 101021428 WGKLVCLRTYFFEQ-RYUDHWBXSA-N 228.678 3.416 50 50 BGGA CC(C)(C)OC(=O)c1cccc(CCl)c1 59796765 ZMCMVQWHGXGANS-UHFFFAOYSA-N 226.703 3.381 50 50 BGGA in-vitro N#C/C(=C\c1ccco1)c1ccc([N+](=O)[O-])cc1 70332 QOOKRZBIDISXKU-DHZHZOJOSA-N 240.218 3.252 50 50 BGGA Fc1ccc(N=C=S)c(Br)c1 2568150 SSLVXFSUADEZBQ-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA biogenic ClCc1cc(CCl)n([C@@H]2CCCCO2)n1 2518795 VBGWHOMQIHLKKL-JTQLQIEISA-N 249.141 3.060 50 50 BGGA O=C(Cl)/C=C/c1ccccc1Br 40457219 ZJYOGIMOIFDSAW-AATRIKPKSA-N 245.503 3.228 50 50 BGGA CC[C@@H](Oc1cccc(C)c1C)C(=O)Cl 36720632 UYBKYPLGCSVSQS-SNVBAGLBSA-N 226.703 3.226 50 50 BGGA Cc1cc(-c2ccccc2)nc(SC#N)n1 390792 ZPZBUBSDPGQQSZ-UHFFFAOYSA-N 227.292 3.025 50 50 BGGA ClCCCCCCI 2579155 QTJHNJCILMMRIQ-UHFFFAOYSA-N 246.519 3.221 50 50 BGGA in-vitro COC(=O)C(C#N)=C1CCC(C(C)(C)C)CC1 5976474 RSBMVIKIWODXGG-UHFFFAOYSA-N 235.327 3.216 50 50 BGGA CC(C)(C#N)CCCCBr 2556962 BBBNHHFFABZOEK-UHFFFAOYSA-N 204.111 3.101 50 50 BGGA Cc1cc(C)cc(OC(C)(C)C(=O)Cl)c1 33433794 KTZYBQFUJLPFMF-UHFFFAOYSA-N 226.703 3.226 50 50 BGGA CCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O 100013240 UWERUIGPWOVNGG-BZYZDCJZSA-N 238.327 3.383 50 50 BGGA in-vitro N#CC(C#N)=Cc1ccc(Nc2ccccc2)o1 395936 ZNNYZCLRPUUFEN-UHFFFAOYSA-N 235.246 3.454 50 50 BGGA O=C(NN=C1CCCCCC1)c1ccc(F)cc1 298479 RHHMOMMVILZLJL-UHFFFAOYSA-N 248.301 3.266 50 50 BGGA CCCCCC(=O)N/N=C/c1ccc(C)cc1 1956841 ODVNWITXNNFQND-RVDMUPIBSA-N 232.327 3.025 50 50 BGGA Cn1c(CCl)nc2cc(C(F)(F)F)ccc21 43179128 XWOBZZFDBNGPCI-UHFFFAOYSA-N 248.635 3.331 50 50 BGGA O[C@@H](CCl)Cc1ccc(-c2ccccc2)cc1 201369731 SFHXNWGGDWFBBR-OAHLLOKOSA-N 246.737 3.496 50 50 BGGA CCc1c(C)sc(N=C=S)c1C(=O)OC 2522244 WZQCDDFWOUZGLV-UHFFFAOYSA-N 241.337 3.140 50 50 BGGA O=C(Cl)COc1ccc(-c2ccccc2)cc1 26470275 HORIELQEHOGTBN-UHFFFAOYSA-N 246.693 3.498 50 50 BGGA Cc1cc(O[C@H](C)C(=O)Cl)ccc1Cl 33434250 DHGCYVPQCYVUJH-SSDOTTSWSA-N 233.094 3.181 50 50 BGGA Cc1cc(C(=O)Cl)ccc1Br 2572628 PVXGJCNXMPLCJU-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA O=C(Cl)c1cccc(Cl)c1Cl 5227143 YBONBWJSFMTXLE-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA in-vitro Br[C@H]1CCCC[C@H]1Br 100021116 CZNHKZKWKJNOTE-OLQVQODUSA-N 241.954 3.087 50 50 BGGA CCCOP(=O)(OCCC)/C(C#N)=C(/C)O 103278177 JSYKHUHQVANGBU-KTKRTIGZSA-N 247.231 3.346 50 50 BGGA Nc1ccccc1SC(F)(F)[C@@H](F)Cl 2166817 FCZIJASKFXRHTO-SSDOTTSWSA-N 241.665 3.488 50 50 BGGA N#C/C(=C/c1ccco1)c1ccc(F)cc1 2548306 MUWUPWITGWTNAK-FLIBITNWSA-N 213.211 3.483 50 50 BGGA C[C@H](Cl)C(=O)Nc1ccc(F)c(Cl)c1 9738273 YVPGRZXOVIMESQ-YFKPBYRVSA-N 236.073 3.045 50 50 BGGA ClCCOCc1ccc(Cl)cc1 1712821 YUAWIKOZQHFAOH-UHFFFAOYSA-N 205.084 3.095 50 50 BGGA Clc1cccc(OCCBr)c1 3389540 FUQNMWDFNCBVOK-UHFFFAOYSA-N 235.508 3.114 50 50 BGGA in-vitro Fc1cc(CCl)ccc1OC(F)(F)F 238589199 IYZZGWNRDAQWDZ-UHFFFAOYSA-N 228.572 3.463 50 50 BGGA CN(C(=S)Cl)c1cccc(Cl)c1 2506760 JUHCGHAWGWGFIN-UHFFFAOYSA-N 220.124 3.300 50 50 BGGA Cc1cc(Br)cc(Cl)c1N=C=O 15441986 MBFMISAQCUPLSD-UHFFFAOYSA-N 246.491 3.378 50 50 BGGA O=C(c1ccc(CCl)cc1)N1CCCCC1 17043846 WVQKALIRKRBPTC-UHFFFAOYSA-N 237.730 3.052 50 50 BGGA FC(F)(Cl)[C@](F)(Cl)CCCl 66322053 UTSMKNWCCZMNHL-VKHMYHEASA-N 215.429 3.352 50 50 BGGA in-vitro BrCc1cccc(-n2cccc2)c1 158960 YMWNCAQFJODGRZ-UHFFFAOYSA-N 236.112 3.372 50 50 BGGA in-vitro ClC(Cl)(Cl)CCBr 2561340 PUNXOOKBNWKKKR-UHFFFAOYSA-N 226.328 3.142 50 50 BGGA CCc1cccc(C)c1NC(=O)[C@H](C)Cl 19487100 SQRWOFAIQJTPLO-VIFPVBQESA-N 225.719 3.123 50 50 BGGA O=C(C1CC1)[C@@H](Cl)c1ccccc1F 67172327 PUSSGWBQJBLHJL-JTQLQIEISA-N 212.651 3.085 50 50 BGGA Clc1ccnc(Cl)c1CBr 95628488 BBQJTYGPSAEPTK-UHFFFAOYSA-N 240.915 3.283 50 50 BGGA C[Si](C)(C)O[C@@H](C#N)c1ccccc1 170172639 DTAFQWDNWAXRLX-NSHDSACASA-N 205.333 3.103 50 50 BGGA in-vitro CCC1(CC)Cc2ccccc2C(N)=C1C#N 4014055 QNRJXWDZXGVWST-UHFFFAOYSA-N 226.323 3.242 50 50 BGGA Cc1ccc(N=C=S)cc1Br 11802431 PWHHADPXZVVMNV-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA CCN(CCCl)Cc1ccc(Cl)cc1 1718313 DQVHBIDSEFMVEU-UHFFFAOYSA-N 232.154 3.401 50 50 BGGA CCCCOC(=O)N/N=C/C=C/c1ccccc1 2831346 FCGRHKAUONETBL-UNRYZTPYSA-N 246.310 3.212 50 50 BGGA CCOC(=O)[C@@H](Cl)c1ccccc1Cl 50978561 NXKKNHRMRKOKRR-VIFPVBQESA-N 233.094 3.183 50 50 BGGA Cc1c(Cl)cccc1NC(=O)[C@@H](C)Cl 12504895 WYZJPDWXOMIWMT-SSDOTTSWSA-N 232.110 3.214 50 50 BGGA [CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1 100009735 MIXNSZFGCWNEFM-UHFFFAOYSA-N 249.273 3.482 50 50 BGGA N#CSc1ccc(F)cc1Br 604221678 SBMSHBJELWAAAO-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA Fc1ccc(Br)cc1N=C=S 31829485 KALKCMPRIJRUBY-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA CCOc1ccc(Cl)cc1C(=O)Cl 33433466 BXINAIGLJUMHPW-UHFFFAOYSA-N 219.067 3.118 50 50 BGGA BrCc1ccc(-c2ccon2)cc1 59939276 BCOYXVWQKCZGFL-UHFFFAOYSA-N 238.084 3.237 50 50 BGGA CN(C)CCCCC/C=C(/C#N)c1ccncc1 4760230 XKDJTWHVVQJBCT-CHHVJCJISA-N 243.354 3.111 50 50 BGGA Fc1cc(F)c(CCBr)cc1F 167297852 OFRWPZBVOFARSI-UHFFFAOYSA-N 239.034 3.041 50 50 BGGA O=C(NNc1ccccc1)c1ccccc1Cl 299786 UZCKXLSCPMYOTG-UHFFFAOYSA-N 246.697 3.097 50 50 BGGA S=C=Nc1cnn(Cc2cccc(Cl)c2)c1 2536564 LOWHIAJORHFKRN-UHFFFAOYSA-N 249.726 3.319 50 50 BGGA Cc1ccc(Br)cc1C(=O)Cl 40571786 JOGHNBXDSOKTPG-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA N#CSCC(=O)c1cccc2ccccc12 2814055 VXWSXLFEJJRUIT-UHFFFAOYSA-N 227.288 3.237 50 50 BGGA Cc1ccc(OC(C)(C)C(=O)Cl)cc1C 33433798 RSBPOYLRKIXBDV-UHFFFAOYSA-N 226.703 3.226 50 50 BGGA BrCc1ccc2occc2c1 90627552 JRDOVDQMUHMTLN-UHFFFAOYSA-N 211.058 3.328 50 50 BGGA CC(C)(Oc1ccc(Cl)cc1)C(=O)Cl 2582020 OODRWLGKUBMFLZ-UHFFFAOYSA-N 233.094 3.263 50 50 BGGA in-vitro O=C1OCc2ccc(CCl)c3cccc1c23 11691566 RUKIAFYRUHSJCQ-UHFFFAOYSA-N 232.666 3.249 50 50 BGGA in-vitro Cc1ccc2c(C(=O)CCl)c(C)[nH]c2c1 532276 RLLUIXUUHFNSSO-UHFFFAOYSA-N 221.687 3.206 50 50 BGGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccc1 608988 GNNCFMBWTKSMJN-RIYZIHGNSA-N 249.269 3.479 50 50 BGGA ClCc1nc(-c2ccc(Cl)cc2)no1 159206 BJVYSQGEJHKTBW-UHFFFAOYSA-N 229.066 3.129 50 50 BGGA in-vitro N#CSCC(=O)c1ccc2ccccc2c1 1662392 FGMSBOSKVIWYEW-UHFFFAOYSA-N 227.288 3.237 50 50 BGGA in-vitro CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Cl 36720624 VAPXLXJCLXYCIX-LLVKDONJSA-N 226.703 3.226 50 50 BGGA N#CC(C#N)=CNc1cccc(C(F)(F)F)c1 2168646 FOOUMWWEKBCSNN-UHFFFAOYSA-N 237.184 3.048 50 50 BGGA Cc1ccc(OCCCSC#N)c(C)c1 2880630 BLVCGRAKAVFQQT-UHFFFAOYSA-N 221.325 3.287 50 50 BGGA COc1ccc(-c2nc(CCl)c(C)o2)cc1 3913597 LCZPNWWYXZSYJO-UHFFFAOYSA-N 237.686 3.397 50 50 BGGA in-vitro Cc1cc(C)c(N=C=O)c(Br)c1 2509907 WOURXNWXJAEYAZ-UHFFFAOYSA-N 226.073 3.033 50 50 BGGA NC(=O)NN=C1CCCCCCCCCCC1 4793629 DLKVWTOQZJQSAH-UHFFFAOYSA-N 239.363 3.315 50 50 BGGA Cc1ccc(F)c(CBr)c1 57366913 MYGZYGUNZCNJAU-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA CCN(CCCl)Cc1ccccc1Cl 1667475 KJWPBLUEGDTGPI-UHFFFAOYSA-N 232.154 3.401 50 50 BGGA Cc1ccc(F)cc1CBr 2382205 DRIYGEORZARQGO-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro CCOC(=O)/C(C#N)=C(\C)CCc1ccccc1 15635901 VJFAFMBOWHDXHU-WYMLVPIESA-N 243.306 3.022 50 50 BGGA FC(F)(F)COc1ccc(N=C=S)cc1 166297052 FOJARVCSYVSZHP-UHFFFAOYSA-N 233.214 3.362 50 50 BGGA Cl[C@@H]1[C@@H](Cl)[C@H]2[C@@H](Cl)C=C[C@@H](Cl)[C@@H]12 257346712 OWAYRJCKLCVBJA-QXFQYNETSA-N 245.964 3.232 50 50 BGGA FC(F)Oc1ccccc1N=C=S 558287 MMEYJNMZRUJHFR-UHFFFAOYSA-N 201.197 3.022 50 50 BGGA Fc1ccc2c(ccn2CCBr)c1 307347558 QISUTVLUPHJMDU-UHFFFAOYSA-N 242.091 3.175 50 50 BGGA ClCSc1ccc(Br)cn1 128626281 XVEGOYHHBXEIBA-UHFFFAOYSA-N 238.537 3.133 50 50 BGGA CC(C)(C)c1ccc(C(=O)CCl)cc1 153536 LTHPBRNHHJIQME-UHFFFAOYSA-N 210.704 3.406 50 50 BGGA in-vitro C[C@@H]1[C@H]2C[C@@H](C[C@@]23OC[C@@H](CCl)O3)C1(C)C 195415185 ARRMJBMUKXIDRB-TUTUZKQUSA-N 244.762 3.039 50 50 BGGA Cc1ccc(CBr)c(F)c1 2243231 SSDOQXRIONFILC-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro CCCCCC(=O)N/N=C1\CCc2ccccc21 4976259 HSCHFSAMRKLJPJ-JQIJEIRASA-N 244.338 3.033 50 50 BGGA CC1(C)CC(Br)CC(C)(C)O1 261509044 ZJGNZEMIUNTAIP-UHFFFAOYSA-N 221.138 3.118 50 50 BGGA O=C(Cl)c1ccc(C(F)(F)F)cc1F 2600075 OOAHPLWBUUTFMV-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro C[Si](C)(C)OCCCCBr 169828756 AEXPXGDAFHOTPW-UHFFFAOYSA-N 225.202 3.013 50 50 BGGA CCc1ccc(OC(C)(C)C(=O)Cl)cc1 33433793 GRUISNOXIMVRSY-UHFFFAOYSA-N 226.703 3.172 50 50 BGGA O=C(CBr)c1ccc(C2CC2)cc1 306696894 YIPSEYWLPHHHND-UHFFFAOYSA-N 239.112 3.142 50 50 BGGA O=C(Cl)/C=C/c1cccc(Cl)c1 26470509 SCNRDAIXZJFMEX-SNAWJCMRSA-N 201.052 3.119 50 50 BGGA in-vitro O=[N+]([O-])c1cc(CCl)ccc1CCl 1605844 AJBJABQEANMSMG-UHFFFAOYSA-N 220.055 3.072 50 50 BGGA O=CC=C(c1ccccc1)c1ccccc1 2003723 MWAFWBDWAWZJGK-UHFFFAOYSA-N 208.260 3.317 50 50 BGGA in-vitro O=C(Cl)/C=C/c1ccccc1Cl 2579130 ZAUFNZFFWDQKPL-AATRIKPKSA-N 201.052 3.119 50 50 BGGA in-vitro Clc1ccc(CCBr)cc1 2033896 YAFMYKFAUNCQPU-UHFFFAOYSA-N 219.509 3.277 50 50 BGGA in-vitro Cc1c(F)cc(CBr)cc1F 168359447 NIFRSMKTOICCJD-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA CC[C@H](Br)[C@H](Br)CC 100270607 VCQBYNRFLHNSKA-OLQVQODUSA-N 243.970 3.333 50 50 BGGA Cl[C@H]1[C@H]2CCCC[C@@H](S2)[C@H]1Cl 104282390 SDXOVOPMKQQVDQ-XUTVFYLZSA-N 211.157 3.259 50 50 BGGA S=C=Nc1ccc(Br)cc1 164892 XQACWEBGSZBLRG-UHFFFAOYSA-N 214.087 3.183 50 50 BGGA Cc1[nH]c2c(C)cccc2c1C(=O)CCl 34925362 NNYPMPAZLWMVJR-UHFFFAOYSA-N 221.687 3.206 50 50 BGGA CCOC(=O)CCCC[C@@H](Cl)CCCl 2039990 RFYDWSNYTVVKBR-SECBINFHSA-N 241.158 3.346 50 50 BGGA in-vitro CCCCOc1ccc(C(=O)Cl)cc1 2242599 KMGCTFHTBKBITO-UHFFFAOYSA-N 212.676 3.245 50 50 BGGA in-vitro Fc1cc(Br)ccc1N=C=S 2583615 PWOPDCSAVIMSPX-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA O=C(CCCl)Nc1cccc2ccccc12 5739900 ISEAPHXDUWABSS-UHFFFAOYSA-N 233.698 3.407 50 50 BGGA Fc1c(CCl)cccc1OC(F)(F)F 85477195 RXMSLJKBPIQURI-UHFFFAOYSA-N 228.572 3.463 50 50 BGGA in-vitro CC(C)(C)OC(=O)NCCCCCCCl 219193888 FGEJNYYOGISVFR-UHFFFAOYSA-N 235.755 3.310 50 50 BGGA CC(C)N(C(=O)CCl)[C@H](C)c1ccsc1 1875369851 MDMVBNGOASIESF-SECBINFHSA-N 245.775 3.285 50 50 BGGA Cc1ccccc1OCCCBr 1871248 KZZRSCSVGUOXKY-UHFFFAOYSA-N 229.117 3.159 50 50 BGGA in-vitro FC(F)Oc1ccc(CBr)cc1 2575171 IFNMJBFIRKAQBT-UHFFFAOYSA-N 237.043 3.183 50 50 BGGA in-vitro ClCc1nc(-c2ccccc2Cl)no1 3394464 PUZWQESMXKKSGC-UHFFFAOYSA-N 229.066 3.129 50 50 BGGA in-vitro Cc1ccc(C(=O)NN=C2CCC(C)CC2)cc1 231889 UNXRLZPGTKUMLR-UHFFFAOYSA-N 244.338 3.291 50 50 BGGA FC1(F)CCC[C@@H]1CCBr 166627399 MLRUHYNGXBPAQE-ZCFIWIBFSA-N 213.065 3.207 50 50 BGGA COc1ccc(C(=O)Cl)cc1C(F)(F)F 2382270 PBKYPTQBAQQVPT-UHFFFAOYSA-N 238.592 3.093 50 50 BGGA N#CSCCCCOc1ccccc1F 4951789 VNJHOWWKZOBNPT-UHFFFAOYSA-N 225.288 3.199 50 50 BGGA F[C@H](CBr)c1ccccc1 77032193 UIXWOQZATLBVFH-MRVPVSSYSA-N 203.054 3.092 50 50 BGGA FC(F)(F)c1coc(CBr)c1 115643897 FZFGCHRSCIKKOX-UHFFFAOYSA-N 228.995 3.193 50 50 BGGA in-vitro ClCSc1ncccc1Br 128626048 NGNKIPFLIOAKFV-UHFFFAOYSA-N 238.537 3.133 50 50 BGGA CC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)O1 169837371 CRKXBRYDYGZXKJ-JTQLQIEISA-N 244.407 3.104 50 50 BGGA O=C=Nc1ccccc1Oc1ccccc1 2568112 KCHQIPPONLLUGU-UHFFFAOYSA-N 211.220 3.446 50 50 BGGA in-vitro COc1ccc(-c2ccccc2)cc1N=C=O 2509910 HVVGPDSYJRMTFV-UHFFFAOYSA-N 225.247 3.330 50 50 BGGA O=[N+]([O-])c1cc2oc(CCl)nc2cc1Cl 238536526 SRPKCXKSPUIWAV-UHFFFAOYSA-N 247.037 3.128 50 50 BGGA in-vitro FC(F)Oc1cccc(CBr)c1 2560133 TZYKSTKEVLDYAP-UHFFFAOYSA-N 237.043 3.183 50 50 BGGA in-vitro O=C(Cl)c1ccncc1-c1ccccc1 238492097 LBZPBWHPSAZTLR-UHFFFAOYSA-N 217.655 3.128 50 50 BGGA O=C(CBr)c1coc2ccccc12 159054 WVHFTONHSRLBGL-UHFFFAOYSA-N 239.068 3.010 50 50 BGGA O=C(CBr)c1ccc2occc2c1 4277251 KRXJQVYCIGDILC-UHFFFAOYSA-N 239.068 3.010 50 50 BGGA N#Cc1ccc(N=C=S)cc1C(F)(F)F 31829459 TYXKOMAQTWRDCR-UHFFFAOYSA-N 228.198 3.311 50 50 BGGA in-vitro CCC[C@](C)(NC(=O)CCl)c1ccccc1 1336889111 PVRGEJRHCMHGBC-ZDUSSCGKSA-N 239.746 3.057 50 50 BGGA N#Cc1cccc(Cl)c1CBr 34414610 ZZBRTAXRIKBTMY-UHFFFAOYSA-N 230.492 3.107 50 50 BGGA in-vitro ClC(Cl)c1nc2ccccc2[nH]1 163653 XIIOQTJSDMWKQQ-UHFFFAOYSA-N 201.056 3.039 50 50 BGGA O=C=Nc1ccc(Cc2ccccc2)cc1 2583600 AGAYZDNGCFSGLT-UHFFFAOYSA-N 209.248 3.245 50 50 BGGA in-vitro CCCCCCCC[C@H](CCl)NC(C)=O 3121666 CPMNJWUFKRCDFS-GFCCVEGCSA-N 233.783 3.481 50 50 BGGA N#CC(C#N)=Cc1cccc(Cl)c1Cl 293094 BSYMXFWIKJGMQH-UHFFFAOYSA-N 223.062 3.424 50 50 BGGA O=C(Cl)c1cccc(C(F)(F)F)c1 1841347 RUJYJCANMOTJMO-UHFFFAOYSA-N 208.566 3.084 50 50 BGGA Cn1c(/C(C#N)=C/c2ccco2)nc2ccccc21 3899814 JHFMOZFZRFCFRA-PKNBQFBNSA-N 249.273 3.230 50 50 BGGA N#CSc1cc(F)ccc1Br 604221666 PJNAKNKTEPEXGJ-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA CC(C)COc1ccc(C(=O)Cl)cc1 5613896 IPNFCXXOIZDEPI-UHFFFAOYSA-N 212.676 3.100 50 50 BGGA in-vitro Cc1ccc(Br)c(N=C=S)c1 40571417 BTAYJZVIZXCLFR-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA N#C[C@@H]1[C@H]2C=C[C@H]1[C@H](Cl)c1ccccc12 104286008 ISCVLTPNIFSFPS-WKSBVSIWSA-N 215.683 3.389 50 50 BGGA ClCc1cccc(Br)c1 2390017 UDKGXKYEWBGQCG-UHFFFAOYSA-N 205.482 3.188 50 50 BGGA in-vitro CC1=C(C#N)C(C2CCCCC2)C(C#N)=C(C)N1 408675 PENCCMCNSCPXGL-UHFFFAOYSA-N 241.338 3.381 50 50 BGGA Cc1ccc(NC(=O)OCCCl)cc1Cl 2171364 ZKSZSXZTHZWEOH-UHFFFAOYSA-N 248.109 3.436 50 50 BGGA N#CC1=C(N)C[C@]23CC=CC[C@@]12CCCC3 101036472 VCZZHJSTGJXBAB-ZIAGYGMSSA-N 214.312 3.023 50 50 BGGA O=C(CCl)C[C@@H]1CCCCC12CC2 1857786778 ZCOIMZBLJWYMKW-VIFPVBQESA-N 200.709 3.155 50 50 BGGA Cc1cccc(NC(=O)NNc2ccccc2)c1 2170911 BJNJONGHABJTLZ-UHFFFAOYSA-N 241.294 3.144 50 50 BGGA Cc1cc(=O)oc2cc(O[Si](C)(C)C)ccc12 195969144 QHQOZLBDGGWMFA-UHFFFAOYSA-N 248.354 3.315 50 50 BGGA in-vitro O=CC1=C(c2ccccc2)Oc2ccccc2O1 41690 BQFFKKHQXOJXBD-UHFFFAOYSA-N 238.242 3.026 50 50 BGGA N#CC(C#N)=Cc1cccc(C(F)(F)F)c1 293164 IAGXCFRBKLIQIR-UHFFFAOYSA-N 222.169 3.136 50 50 BGGA O=C(CCCCCl)c1cccs1 4343281 MEJWQQQVERMVQS-UHFFFAOYSA-N 202.706 3.340 50 50 BGGA FC1(F)CCC(CBr)CC1 67176126 VVBAHFKQTKRMAS-UHFFFAOYSA-N 213.065 3.207 50 50 BGGA in-vitro CC(C)(C)C1CCC2(CC1)CC(=O)OC(=O)C2 101367889 KGOOZLLOQNXAJR-UHFFFAOYSA-N 238.327 3.073 50 50 BGGA Cc1ccc(OCCCSC#N)cc1C 2880602 CBIYIIVKBWTTSX-UHFFFAOYSA-N 221.325 3.287 50 50 BGGA CC(C)c1ccc(C(=O)CBr)cc1 19843010 ZSCDQVYYLJSTFU-UHFFFAOYSA-N 241.128 3.388 50 50 BGGA in-vitro BrP1Oc2ccccc2O1 100882690 ZWIZXKBPVIKGJZ-UHFFFAOYSA-N 218.974 3.080 50 50 BGGA ClCc1nc2ccc(Cl)cc2o1 14987607 LWFVLQNVCIBMRB-UHFFFAOYSA-N 202.040 3.220 50 50 BGGA in-vitro Cc1c(Br)csc1C(=O)Cl 2507128 LQDVGTOWGBSXPJ-UHFFFAOYSA-N 239.521 3.198 50 50 BGGA ClCc1cc2ncc(Br)cc2o1 38534105 URCGPXXHAADRJJ-UHFFFAOYSA-N 246.491 3.329 50 50 BGGA in-vitro Cc1cc(F)c(F)c(CBr)c1 263624259 OUDWOEBVMUKULY-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA Cc1ccc(NC(=O)C(C)(C)CCl)cc1 20206199 UBFPHQBTPIQTCH-UHFFFAOYSA-N 225.719 3.199 50 50 BGGA C[Si](C)(C)NCCCCO[Si](C)(C)C 169819843 LQFRKLIJRBPTAT-UHFFFAOYSA-N 233.504 3.043 50 50 BGGA O=C(Cl)c1ccc(F)cc1C(F)(F)F 2600078 OEYHURRIOWWRMD-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OCc1ccnc(N)c1 169794028 JMNHDECXCXSHHT-UHFFFAOYSA-N 238.407 3.186 50 50 BGGA O=C(Cl)c1ccccc1C(F)(F)F 1847593 MXIUWSYTQJLIKE-UHFFFAOYSA-N 208.566 3.084 50 50 BGGA CCc1ccc(O[C@H](CC)C(=O)Cl)cc1 40451371 VFIMOGXIYHQWPS-LLVKDONJSA-N 226.703 3.172 50 50 BGGA Cc1cccc(Br)c1N=C=S 40571405 PEZNFXNSTZAION-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA O=C(Cl)CCc1ccc(Br)cc1 114174174 QDDFDICITFVSCB-UHFFFAOYSA-N 247.519 3.147 50 50 BGGA C[C@@H](Cl)C(=O)Nc1cccc2ccccc12 3886976 HZEXEFBFZFWVOD-SECBINFHSA-N 233.698 3.406 50 50 BGGA CCCC/C(C)=N/NC(=O)Nc1ccccc1 4595405 DSTHZOADCKMQDL-RVDMUPIBSA-N 233.315 3.374 50 50 BGGA N#CC1=C(N)c2ccccc2CC12CCCCC2 19535556 BQFBUBHGZRINAO-UHFFFAOYSA-N 238.334 3.387 50 50 BGGA CCOc1ccc(N=C=S)cc1OCC 12412227 PLTVHLUAEIEQKO-UHFFFAOYSA-N 223.297 3.218 50 50 BGGA O=C(Cl)COc1cccc(Cl)c1Cl 33434604 IBWNIKAAWMVQCL-UHFFFAOYSA-N 239.485 3.138 50 50 BGGA Cc1cc(N=C=S)ccc1Br 2168966 RXWYFLRAEYPAIV-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA in-vitro Cc1cccc(/C(C#N)=C\c2cccn2C)c1 4840640 UURXGSIRWVVYEJ-UVTDQMKNSA-N 222.291 3.398 50 50 BGGA O=C(Cl)c1cc2ccccc2nc1Cl 4287382 QZUMFCDPDBLWBV-UHFFFAOYSA-N 226.062 3.267 50 50 BGGA in-vitro C[C@H](Cl)C(=O)Nc1ccc2ccccc2c1 6566690 VQEZZXHQBPMGBK-VIFPVBQESA-N 233.698 3.406 50 50 BGGA C[C@@H](Cl)C(=O)NCCC1=CCCCCC1 1875378209 XJCLKAQJNVTCTP-SNVBAGLBSA-N 229.751 3.011 50 50 BGGA O=C(CCl)Nc1cc(Cl)cc(Cl)c1 166526 ZRTPLHDJASYNPE-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA in-vitro BrCCc1c[nH]c2ccccc12 160295 NTLAICDKHHQUGC-UHFFFAOYSA-N 224.101 3.105 50 50 BGGA in-vitro Cc1c(Cl)cccc1NC(=O)CCCl 1669856 QWRHSZJKNGKNEJ-UHFFFAOYSA-N 232.110 3.216 50 50 BGGA in-vitro COc1cc(C(=O)Cl)ccc1OCC(C)C 40451437 OVBPTZYJKFNNSL-UHFFFAOYSA-N 242.702 3.109 50 50 BGGA ClCc1ccc(-c2ccccn2)cc1 95093324 ICISSZBYTVZMRU-UHFFFAOYSA-N 203.672 3.487 50 50 BGGA Cl[C@@H](CCN1CCCC1)c1ccccc1 95887587 DLUHIPWNCQJRJT-ZDUSSCGKSA-N 223.747 3.452 50 50 BGGA C[C@H]1CCc2sc(C(=O)Cl)cc2C1 2536632 RAQMTDUDQJTUHH-LURJTMIESA-N 214.717 3.252 50 50 BGGA CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Cl 40451388 XJQASKFMNXNLIB-GFCCVEGCSA-N 238.714 3.098 50 50 BGGA ClCCCCCCO[C@@H]1CCCCO1 2387295 XOLOZSPDGPUSFV-NSHDSACASA-N 220.740 3.329 50 50 BGGA CCCCc1ccc(NC(=O)CCl)cc1 3270811 NLIULGTVNKLYBM-UHFFFAOYSA-N 225.719 3.207 50 50 BGGA in-vitro C[C@@H](Cl)C(=O)N[C@@H](c1ccco1)C(C)(C)C 1875364252 KBFSKXRGMAUZAA-SCZZXKLOSA-N 243.734 3.110 50 50 BGGA Fc1ccc(CCBr)c(F)c1F 60008489 ODZDQVMPZAEHOG-UHFFFAOYSA-N 239.034 3.041 50 50 BGGA N#CC1=C(N)C[C@@]23CC=CC[C@@]12CCCC3 45027797 VCZZHJSTGJXBAB-UONOGXRCSA-N 214.312 3.023 50 50 BGGA C[C@@H]1[C@H]2C[C@@H](C[C@]23OC[C@H](CCl)O3)C1(C)C 239274794 ARRMJBMUKXIDRB-VFZGUZRASA-N 244.762 3.039 50 50 BGGA Cl[C@@H]1[C@H]2C[C@@H](c3ccccc32)[C@H]1Cl 254288062 LSZRQYDYYAPANK-UKKRHICBSA-N 213.107 3.486 50 50 BGGA C[C@H](Br)C(=O)c1ccccc1Cl 38634140 QXBPNBFQCNGDTQ-LURJTMIESA-N 247.519 3.306 50 50 BGGA in-vitro O=C(Nc1ccccc1)OC(CCl)CCl 2571662 OCBACPSEPLNGDR-UHFFFAOYSA-N 248.109 3.081 50 50 BGGA F[C@@H]([C@@H](Cl)C(F)(F)F)C(F)(F)F 63457967 YCBUFAWATXHLGJ-NCGGTJAESA-N 218.499 3.057 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OC1(C=O)CCC1 723162253 PEQKDDGZTNLGSI-UHFFFAOYSA-N 214.381 3.130 50 50 BGGA N#CSCc1ccc(Br)cc1 2532481 BITPFECHCVOXNN-UHFFFAOYSA-N 228.114 3.163 50 50 BGGA O=C(Cl)c1csc(-c2cccs2)n1 2582861 XSEVQABMEAUTLT-UHFFFAOYSA-N 229.713 3.251 50 50 BGGA in-vitro CC[C@H](Oc1cccc(C)c1C)C(=O)Cl 36720630 UYBKYPLGCSVSQS-JTQLQIEISA-N 226.703 3.226 50 50 BGGA O=C(Cl)Oc1ccc2c(c1)CCCC2 167071562 ACODUOARMQEISS-UHFFFAOYSA-N 210.660 3.303 50 50 BGGA in-vitro C[Si](C)(C)C#CCCCBr 195896428 FFLKDORTBUTNJU-UHFFFAOYSA-N 219.198 3.042 50 50 BGGA O=CC1=CS[C@H]2c3ccccc3C=C[C@@H]12 335890 TWECZXHHGHCOOH-STQMWFEESA-N 214.289 3.200 50 50 BGGA CC(C)Oc1ccccc1OCCCl 19094370 HDUDGONCMKFTKW-UHFFFAOYSA-N 214.692 3.091 50 50 BGGA in-vitro N#CSc1ccc(N)c(Cl)c1Cl 22124771 HHYXNAYEWINMOA-UHFFFAOYSA-N 219.096 3.149 50 50 BGGA in-vitro Fc1cc(F)c(N=C=S)c(Cl)c1 96024794 SZNMZBGPFVULMW-UHFFFAOYSA-N 205.616 3.353 50 50 BGGA c1cncc(SSc2cccnc2)c1 5161991 YURPISYZTZHYBW-UHFFFAOYSA-N 220.322 3.276 50 50 BGGA in-vitro O=C=Nc1c(Cl)cccc1C(F)(F)F 2387319 OCBLPDGFTQNTBD-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA in-vitro Cc1cc(C)cc(N(C)C(=S)Cl)c1 2506763 AJSUMYQXBHXRRT-UHFFFAOYSA-N 213.733 3.263 50 50 BGGA O=C/C=C(/Cl)c1ccc(Br)cc1 19093564 BMEIVZSKOZFHRN-WEVVVXLNSA-N 245.503 3.228 50 50 BGGA in-vitro C/C(C=O)=C(\Cl)c1ccc(C)cc1C 45796114 DKKHUCWXJYVESE-ZRDIBKRKSA-N 208.688 3.472 50 50 BGGA CCC[C@H](Br)C(F)(F)F 71791951 BYONFWPKUXLTAG-BYPYZUCNSA-N 205.017 3.112 50 50 BGGA Fc1cccc(Br)c1CCl 75898750 JNEFYNWPEMTPEB-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro [C-]#[N+]Cc1ccc(OC(F)(F)F)cc1 95696983 ZTTNVVDDNYFUHA-UHFFFAOYSA-N 201.147 3.004 50 50 BGGA C[C@@H](Cl)C(=O)Nc1ccc2ccccc2c1 6587108 VQEZZXHQBPMGBK-SECBINFHSA-N 233.698 3.406 50 50 BGGA CCC1CCC(N(C(=O)CCl)C2CC2)CC1 308864866 GMYQMMHZAHZOSI-UHFFFAOYSA-N 243.778 3.185 50 50 BGGA N#CC(C(=O)Nc1ccccc1)=C1CCCCC1 84248 NMTYYPKUZCOLFB-UHFFFAOYSA-N 240.306 3.409 50 50 BGGA CCCC/C(C)=N/NC(=O)c1cccs1 5417499 FWOORLSCWGBDRZ-FMIVXFBMSA-N 224.329 3.044 50 50 BGGA O=[N+]([O-])c1ccc(N=C=S)cc1C(F)(F)F 15444468 ZOYAODGOWYSYFN-UHFFFAOYSA-N 248.185 3.348 50 50 BGGA N#CSc1c(F)cccc1Br 604221511 FCMWQEDSYWHYTM-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA S=C=Nc1ccccc1Br 164245 PAFORXDSYWMYGP-UHFFFAOYSA-N 214.087 3.183 50 50 BGGA in-vitro FC(F)(F)Oc1ccc(N=C=S)cc1 167162 JKSZUQPHKOPVHF-UHFFFAOYSA-N 219.187 3.320 50 50 BGGA C[C@H](CBr)COCc1ccccc1 2572569 QVIBBFFDRDHFSJ-SNVBAGLBSA-N 243.144 3.234 50 50 BGGA CCCC/C(C)=N/NC(=O)C1[C@@H]2CCCC[C@@H]12 100315825 LFFGZUFRDXCPGM-SJIAUZAASA-N 236.359 3.105 50 50 BGGA Cn1nc(-c2ccccc2)c(CCl)c1Cl 168328 CNCQDVYHESLDLK-UHFFFAOYSA-N 241.121 3.479 50 50 BGGA COc1cc(CCl)ccc1OC(C)C 20547800 WFMQREQRKYROEM-UHFFFAOYSA-N 214.692 3.221 50 50 BGGA CN(C)/C=C(\C#N)c1cccc(C(F)(F)F)c1 66240 BGTHQANSTMIOOQ-CSKARUKUSA-N 240.228 3.131 50 50 BGGA Cc1ccc(OCCBr)cc1C 1719912 ISCXPRVQNSOSNL-UHFFFAOYSA-N 229.117 3.077 50 50 BGGA in-vitro BrCc1cccc2cnccc12 35269680 YDGUDRWCJOVQRC-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro CCC[C@@H](SC#N)C(=O)c1ccccc1 406199 CAXBWNRYCXESAV-LLVKDONJSA-N 219.309 3.252 50 50 BGGA Cc1ccc(NNC(=O)Nc2ccccc2)cc1 2141679 PTPUGNZEEMRUKX-UHFFFAOYSA-N 241.294 3.144 50 50 BGGA CCN(C(=O)O[C@@H](C)Cl)c1ccccc1 3086165 WWBLFONEJCQIBS-VIFPVBQESA-N 227.691 3.234 50 50 BGGA in-vitro CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O 4098293 AZJUJOFIHHNCSV-KCQAQPDRSA-N 234.339 3.163 50 50 BGGA biogenic,in-vitro Cc1ccc(CBr)c(F)c1F 2382368 YAPOYZMZHWXAOX-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA in-vitro Fc1ccc(N=C=S)c(F)c1Cl 96024792 KUANXYWNTJSWCD-UHFFFAOYSA-N 205.616 3.353 50 50 BGGA BrC1[C@]23C=CC=C[C@@]12CCC3 101038024 CPVKCUKTNFWZFN-NXEZZACHSA-N 211.102 3.046 50 50 BGGA [N-]=[N+]=Nc1ccc(C(=O)CBr)cc1 12953785 LZJPDRANSVSGOR-UHFFFAOYSA-N 240.060 3.206 50 50 BGGA in-vitro O=C(Cl)CC12CC3CC(CC(C3)C1)C2 2565083 HLQSEJBREPQBRW-UHFFFAOYSA-N 212.720 3.358 50 50 BGGA in-vitro Clc1cc2c(cn1)[C@H]1C[C@H]2C[C@@H]1Cl 101053190 LVICBBKQWQAMIJ-KWPFTWCOSA-N 214.095 3.317 50 50 BGGA C=C(C)C[S@](=O)O[Si](C)(C)C(C)(C)C 170163409 GPBFOXFZOXHPIC-CYBMUJFWSA-N 234.437 3.248 50 50 BGGA FC(F)(F)Oc1ccc(CCl)cc1 167139 LBMKFQMJURUPKC-UHFFFAOYSA-N 210.582 3.324 50 50 BGGA in-vitro O=C(Cl)c1cc(Cl)sc1Cl 2168547 YGDFSMANOSKQRU-UHFFFAOYSA-N 215.488 3.434 50 50 BGGA COc1cc(Cl)cc(CBr)c1 90627516 NOYAZORDAAINEF-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA Cc1oc(-c2ccc(F)cc2)cc1N=C=O 255189711 ROQIRGFKIKGSMD-UHFFFAOYSA-N 217.199 3.361 50 50 BGGA C[C@H]1C[C@@H](C)C[C@H](CBr)C1 252205568 XCIZWQDVIMXDGQ-BRPSZJMVSA-N 205.139 3.454 50 50 BGGA Br[C@@H]1CCCC[C@H]1Br 1591802 CZNHKZKWKJNOTE-PHDIDXHHSA-N 241.954 3.087 50 50 BGGA Fc1ccc(CCl)c(Br)c1F 261508906 YCSLSTCFNJCPGF-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA c1cc(SSc2ccncc2)ccn1 520134 UHBAPGWWRFVTFS-UHFFFAOYSA-N 220.322 3.276 50 50 BGGA in-vivo O=P(c1ccccc1)(c1ccccc1)C1CC1 391704 BYEFXZPGXUOPMT-UHFFFAOYSA-N 242.258 3.163 50 50 BGGA O=C(Cl)c1ccc(-c2ccccc2F)o1 2578562 VKIMJQXHHBMFER-UHFFFAOYSA-N 224.618 3.465 50 50 BGGA CCCC[C@@H](Br)CBr 100011220 NUUUANNAZVEWHM-ZCFIWIBFSA-N 243.970 3.335 50 50 BGGA COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C 197409194 KTRLPYMGWJYOSH-SNVBAGLBSA-N 246.423 3.206 50 50 BGGA O=C(NC1CCCCCCC1)C(Cl)Cl 4755252 RUQGRWNAEXFCOE-UHFFFAOYSA-N 238.158 3.019 50 50 BGGA CC(C)SC(=O)N[C@@H]1CCCC[C@@H]1Cl 5381432 UVDJEJWHJILBRX-DTWKUNHWSA-N 235.780 3.388 50 50 BGGA ClCCn1c(CCl)nc2ccccc21 51012465 CGEFZNRPKOFNDD-UHFFFAOYSA-N 229.110 3.014 50 50 BGGA Fc1cc(Cl)c(N=C=S)cc1F 585681212 KCORWPNMYHBTJD-UHFFFAOYSA-N 205.616 3.353 50 50 BGGA Cc1ccc(O[C@@H](C(=O)Cl)C(C)C)cc1 33433807 UEFHSDRXLCGKST-LLVKDONJSA-N 226.703 3.164 50 50 BGGA in-vitro C[C@H](Oc1cccc2ccccc12)C(=O)Cl 40451344 RURKHEGTHHTXJT-VIFPVBQESA-N 234.682 3.373 50 50 BGGA ClCc1cc(Br)cnc1Cl 12336791 VRZYGANTKSIVBU-UHFFFAOYSA-N 240.915 3.236 50 50 BGGA BrCc1ccc2cccnc2c1 34239895 WBDJYELCKVSSGT-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA Cc1c(N=C=S)cccc1N=C=S 2541505 AZXFPXMWSWRZLF-UHFFFAOYSA-N 206.295 3.464 50 50 BGGA in-vitro OCCCCCCCCCCBr 2579245 LGZMUUBPTDRQQM-UHFFFAOYSA-N 237.181 3.494 50 50 BGGA in-vitro Cn1cccc1/C=C(\C#N)c1ccccc1 4568957 HSABJIWTNYRZHY-JLHYYAGUSA-N 208.264 3.089 50 50 BGGA Cl[C@@H](CN1CCCC1)c1ccccc1 23583894 YYBONZFZXURILK-LBPRGKRZSA-N 209.720 3.062 50 50 BGGA C/C(=N/[Si](C)(C)C)O[Si](C)(C)C 169808710 SIOVKLKJSOKLIF-HJWRWDBZSA-N 203.434 3.091 50 50 BGGA O=CC1=C[C@@H]2C=Cc3ccccc3[C@H]2S1 335881 JYFBWDRXXNFRDH-GWCFXTLKSA-N 214.289 3.200 50 50 BGGA CC(C)(C)[Si](C)(C)OC1CCC(O)CC1 169992102 XGCCUZRKNCUVJK-UHFFFAOYSA-N 230.424 3.312 50 50 BGGA in-vitro O=C(Nc1cccc(Cl)c1)OCCCl 1646522 GYJQWEIGUGMFMU-UHFFFAOYSA-N 234.082 3.127 50 50 BGGA biogenic Fc1ccc(Br)c(N=C=S)c1 164772 LPYALAIWRFVCHN-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA in-vitro Cc1ccc(P(C)(=O)c2ccc(C)cc2)cc1 52692 RIFSNJVUWJFVIA-UHFFFAOYSA-N 244.274 3.247 50 50 BGGA O=C(Cl)Cc1ccc(C(F)(F)F)cc1 12953094 MLMKUFMLPHQPFO-UHFFFAOYSA-N 222.593 3.013 50 50 BGGA in-vitro BrCc1ccc2ccccc2n1 15022143 NNAYPIDFVQLEDK-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro ClP(c1ccccc1)c1ccccc1 95738312 XGRJZXREYAXTGV-UHFFFAOYSA-N 220.639 3.273 50 50 BGGA O=C(F)c1ccc(-c2ccccc2)cc1 214828393 LBBFCPWRSLIXNI-UHFFFAOYSA-N 200.212 3.463 50 50 BGGA O=C(Nc1ccc(Cl)cc1)OCCCl 2014239 ZJFHLTWUBUCUGP-UHFFFAOYSA-N 234.082 3.127 50 50 BGGA O=C(c1ccc(Cl)cc1)C(Cl)Cl 2172394 BZOFRNRRMMEHOB-UHFFFAOYSA-N 223.486 3.326 50 50 BGGA in-vitro N#CC(C#N)=CNc1cccc2ccccc12 4541701 POZVXDRKRDCCHY-UHFFFAOYSA-N 219.247 3.183 50 50 BGGA C[C@@H](Cl)OC(=O)Oc1ccc(Cl)cc1 3080911 UWHUGYPQDBEUNL-LURJTMIESA-N 235.066 3.440 50 50 BGGA Cc1cc(F)ccc1CBr 2509692 DAKPIAWEPVZDNG-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro BrCCCCCCBr 1683470 SGRHVVLXEBNBDV-UHFFFAOYSA-N 243.970 3.337 50 50 BGGA biogenic Fc1ccc(CBr)cc1Cl 2382238 GGTQWWTYUKXFPP-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro Cc1cc(C)cc(NC(=O)OCCCl)c1 2165520 QIMYWNUAEKDRDY-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA Clc1cncc(Cl)c1CBr 88190225 VCZXDAITEVEASR-UHFFFAOYSA-N 240.915 3.283 50 50 BGGA N#C/C=C/c1ccc(Br)cc1F 43559226 VDJDPANLZFGYFX-OWOJBTEDSA-N 226.048 3.125 50 50 BGGA CC(C)(CO[Si](C)(C)C(C)(C)C)[C@H]1CO1 169838044 VMDQUMRAJILDNY-SNVBAGLBSA-N 230.424 3.433 50 50 BGGA CCC[C@@](C)(NC(=O)CCl)c1ccccc1 1336889110 PVRGEJRHCMHGBC-CYBMUJFWSA-N 239.746 3.057 50 50 BGGA O=C(Cl)c1cc(C(F)(F)F)cnc1Cl 30718790 CEQQAPUZEUIPCH-UHFFFAOYSA-N 243.999 3.133 50 50 BGGA in-vitro CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Cl 40451387 XJQASKFMNXNLIB-LBPRGKRZSA-N 238.714 3.098 50 50 BGGA Cc1ccc(OCCBr)c(C)c1 15014447 XFABTWHRMOSZRA-UHFFFAOYSA-N 229.117 3.077 50 50 BGGA in-vitro O=C(CCl)Nc1cccc(Cl)c1Cl 162846 NBGQBIFGVDDWKO-UHFFFAOYSA-N 238.501 3.171 50 50 BGGA in-vitro Nc1ccccc1SC(F)(F)[C@H](F)Cl 2166819 FCZIJASKFXRHTO-ZETCQYMHSA-N 241.665 3.488 50 50 BGGA O=C(Nc1ccccc1Cl)OCCCl 2162141 VRBJYIKZFMXHKJ-UHFFFAOYSA-N 234.082 3.127 50 50 BGGA O=C(NNc1ccccc1)c1ccc(Cl)cc1 1676303 FHLLMNAAJMLCIX-UHFFFAOYSA-N 246.697 3.097 50 50 BGGA CCC[C@@H](Br)C(F)(F)F 71791952 BYONFWPKUXLTAG-SCSAIBSYSA-N 205.017 3.112 50 50 BGGA O=C(Cl)[C@@H]1CC[C@H]2CCCC[C@H]2C1 250881284 VLDICQZVHFZVNO-KXUCPTDWSA-N 200.709 3.358 50 50 BGGA in-vitro CC1(C)CCC(C=O)=C(Br)C1 238196436 WCVVNAQKPNQJBW-UHFFFAOYSA-N 217.106 3.044 50 50 BGGA Cc1c(F)c(C)c(F)c(C(=O)Cl)c1F 2525724 HTIPFTSPYMRXQN-UHFFFAOYSA-N 222.593 3.100 50 50 BGGA in-vitro COC(=O)CCCCCCCCC(=O)Cl 2557050 ZUUUAAZQEMFVSN-UHFFFAOYSA-N 234.723 3.046 50 50 BGGA N#C/C(=C\c1ccco1)c1nc2ccccc2[nH]1 3998166 PINFVMBXAWOWAD-CSKARUKUSA-N 235.246 3.220 50 50 BGGA O=C(OCCCCCCl)c1ccccc1 1648960 XIOZPPYPTAEPGJ-UHFFFAOYSA-N 226.703 3.253 50 50 BGGA in-vitro CCc1ccccc1NC(=O)OCCCl 2162148 AZIMBFYXNIGIFJ-UHFFFAOYSA-N 227.691 3.036 50 50 BGGA C[Si](C)(C)C#CCCO[Si](C)(C)C 169828639 BNCJAUSXECJXHK-UHFFFAOYSA-N 214.457 3.109 50 50 BGGA CC[C@@H](C)c1ccc(NC(=O)CCl)cc1 3268032 VHCITOVVEMWCKN-SECBINFHSA-N 225.719 3.377 50 50 BGGA in-vitro O=C(c1ccc(CBr)cc1)C1CC1 33466542 RWDFDRURELYOOX-UHFFFAOYSA-N 239.112 3.174 50 50 BGGA O=C(CCCl)Nc1ccc(F)c(Cl)c1 5568129 VJQJGNHCAHOAMD-UHFFFAOYSA-N 236.073 3.047 50 50 BGGA in-vitro CCN(C(=O)O[C@H](C)Cl)c1ccccc1 3086166 WWBLFONEJCQIBS-SECBINFHSA-N 227.691 3.234 50 50 BGGA in-vitro O=C(Cl)C1(c2ccc(F)cc2)CCCC1 32267620 KPPZDQSWBOAHHQ-UHFFFAOYSA-N 226.678 3.403 50 50 BGGA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Cl 36720622 VAPXLXJCLXYCIX-NSHDSACASA-N 226.703 3.226 50 50 BGGA Cc1ccc(N=C=S)cc1N=C=S 1603516 NNMVCFPMIBOZCL-UHFFFAOYSA-N 206.295 3.464 50 50 BGGA in-vitro N#C/C(=C/c1ccco1)c1ccc(C#N)cc1 582319 WHDQCJUVAHDMCQ-JYRVWZFOSA-N 220.231 3.215 50 50 BGGA S=C=Nc1ccc(CBr)cc1 12429178 NSQGUALFBVTBHL-UHFFFAOYSA-N 228.114 3.316 50 50 BGGA O=C(Cl)COc1ccc(Cl)cc1Cl 1845695 FUJSJWRORKKPAI-UHFFFAOYSA-N 239.485 3.138 50 50 BGGA in-vitro O=C=Nc1ccc(Br)cc1Cl 2568113 QWWBEOZNMPWYQR-UHFFFAOYSA-N 232.464 3.070 50 50 BGGA CCCCCCC#CCBr 101369931 GWFWTZMLIQXBHZ-UHFFFAOYSA-N 203.123 3.355 50 50 BGGA BrCC[C@@H]1C[C@H]2CC[C@H]1C2 251458624 ULEUMUYIYXETME-XHNCKOQMSA-N 203.123 3.208 50 50 BGGA CSc1ccc(CBr)cc1 2563927 QDLKMRTVELBKFE-UHFFFAOYSA-N 217.131 3.303 50 50 BGGA O=C(Cl)c1cc(C(F)(F)F)ccc1F 2600076 OFVKAIZITGCCDN-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro O[C@H](CCl)c1ccc(Cl)c(Cl)c1 12506211 LKALNWLBXMXTJS-MRVPVSSYSA-N 225.502 3.266 50 50 BGGA in-vitro Cc1cc(CCl)ccc1Br 57939652 GHIUFUSYLQYGNS-UHFFFAOYSA-N 219.509 3.496 50 50 BGGA in-vitro Cc1ccc(C(=O)Cl)c(Br)c1 67800136 QYGFJEIQODJAQF-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA CC(=O)[C@@H](Cl)Cc1ccc(Cl)cc1 2162094 KKCOSJVILRLIBA-JTQLQIEISA-N 217.095 3.079 50 50 BGGA Cl[C@H](C1CCCCC1)[C@H]1CCCCN1 96027232 OLPWQLDKSWSWEZ-VXGBXAGGSA-N 215.768 3.316 50 50 BGGA O=C=Nc1cccc(C(F)(F)F)c1Cl 116406346 UHXHJYYNTMWKMG-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA BrCc1cc(-c2ccccc2)no1 3091283 ANRMBFFXQKJEIS-UHFFFAOYSA-N 238.084 3.237 50 50 BGGA biogenic,in-vitro N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccccc1 4566112 XQFXOOJZDABETG-GXDHUFHOSA-N 249.269 3.182 50 50 BGGA C[Si](C)(C)OCCCO[Si](C)(C)C 169794907 DWHYMKOUICVFHL-UHFFFAOYSA-N 220.461 3.080 50 50 BGGA in-vitro C=C(C)C[S@@](=O)O[Si](C)(C)C(C)(C)C 170163407 GPBFOXFZOXHPIC-ZDUSSCGKSA-N 234.437 3.248 50 50 BGGA N#CC(C#N)=CNc1cccc(Cl)c1Cl 388882 WJRBXLOLWQJRIG-UHFFFAOYSA-N 238.077 3.336 50 50 BGGA O=C(Cl)c1cccnc1Oc1ccccc1 2510223 ILBAQNFTHRLAEH-UHFFFAOYSA-N 233.654 3.253 50 50 BGGA O[C@@H](CCCl)c1ccc(Cl)cc1 36157686 AGUYFKWDURVWJS-VIFPVBQESA-N 205.084 3.002 50 50 BGGA O=C(NC1CCCC1)c1cccc(CCl)c1 36929927 IWLRUDMDYATWTR-UHFFFAOYSA-N 237.730 3.098 50 50 BGGA N#CSc1ccc(Br)c(F)c1 604221502 CWGXLXVGEZLDJH-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA C=CCP(=O)(c1ccccc1)c1ccccc1 403230 PGPAPANRSWMTQO-UHFFFAOYSA-N 242.258 3.187 50 50 BGGA in-vitro Cc1c(Br)cccc1N=C=S 40571402 GSTDQYZNPIOQRP-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA CCP(c1ccccc1)c1ccccc1 1761878 WUOIAOOSKMHJOV-UHFFFAOYSA-N 214.248 3.139 50 50 BGGA in-vitro CC1(C)CC(=O)[C@@H](Br)C(C)(C)C1 169392558 SSUUZZPYKJHKEE-MRVPVSSYSA-N 233.149 3.165 50 50 BGGA C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C 169747808 CXQXSVUQTKDNFP-UHFFFAOYSA-N 236.536 3.391 50 50 BGGA in-vitro N#CC(C#N)=C(C#N)c1ccccc1C(F)(F)F 101512 UKABNLRSZQOYDF-UHFFFAOYSA-N 247.179 3.030 50 50 BGGA C[C@H]1CCc2c(C(=O)Cl)csc2C1 40451416 RUZYUHUCGVUZGR-LURJTMIESA-N 214.717 3.252 50 50 BGGA FC(F)(F)C[C@@H](Br)C(F)(F)F 85650643 VFDODVLSQUKPSN-UWTATZPHSA-N 244.960 3.265 50 50 BGGA CCN(CCBr)c1cccc(C)c1 153294 NJEAVSIRGMSSFC-UHFFFAOYSA-N 242.160 3.216 50 50 BGGA O=C(CCl)c1ccc2ccccc2c1 39055402 NYJAUILLKSDBMH-UHFFFAOYSA-N 204.656 3.261 50 50 BGGA N#CC1=C(C=Nc2ccccc2O)CCC1 252679735 QKFDBUSVSBMXRI-UHFFFAOYSA-N 212.252 3.099 50 50 BGGA BrCc1ccc2c(c1)CCC2 1571730 NTBYJOFMYKKLQE-UHFFFAOYSA-N 211.102 3.070 50 50 BGGA in-vitro O=C(Cl)c1cc2cc([N+](=O)[O-])ccc2s1 2527529 KOJDFXDLYGKDEK-UHFFFAOYSA-N 241.655 3.189 50 50 BGGA in-vitro CCCCCCCCCCCCB(O)O 169746991 UMJURJHHLVYBFY-UHFFFAOYSA-N 214.158 3.380 50 50 BGGA in-vitro CC(C)n1nccc1-c1ncccc1CCl 146513723 ATEDQANYWGMZND-UHFFFAOYSA-N 235.718 3.265 50 50 BGGA CCO[C@@]1(O[Si](C)(C)C)CC1(C)C 169806696 MCXGHANREPGGGX-SNVBAGLBSA-N 202.370 3.001 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OC[C@H](O)c1ccoc1 169837759 FSHVRCBKNRDPSS-NSHDSACASA-N 242.391 3.335 50 50 BGGA Cc1cc(C)cc(OCCCBr)c1 4207108 FGTRKEKWAVDNIK-UHFFFAOYSA-N 243.144 3.467 50 50 BGGA CCc1cccc(CC)c1NC(=O)CCCl 6125520 KGBSCAFXQQKLRJ-UHFFFAOYSA-N 239.746 3.379 50 50 BGGA CC(C)(C)[Si](C)(C)OCCC/C=C/C(=O)O 198554693 KSQLYBSZRJHZOF-VQHVLOKHSA-N 244.407 3.429 50 50 BGGA COc1ccc(Cl)cc1CBr 34560585 GWOYTRDTYUBKTJ-UHFFFAOYSA-N 235.508 3.244 50 50 BGGA FC(F)(F)c1cc(Cl)cnc1CCl 95761900 VETYBESERYLQPV-UHFFFAOYSA-N 230.016 3.493 50 50 BGGA C[C@H](Cl)C(=O)N[C@@H](c1ccco1)C(C)(C)C 1875364256 KBFSKXRGMAUZAA-WPRPVWTQSA-N 243.734 3.110 50 50 BGGA Cc1ccc(Br)c(C(=O)Cl)c1 22010873 LUBACRXXWHGOHK-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA CO[P@@](=O)(CCl)Oc1ccccc1 2963818 SLQUNKPBZFYTAD-ZDUSSCGKSA-N 220.592 3.101 50 50 BGGA biogenic Cc1ccc(C)c(OCCBr)c1 3887216 JBISLHJJABQJNR-UHFFFAOYSA-N 229.117 3.077 50 50 BGGA in-vitro CCOC(=O)c1ccc(Cl)c(SC#N)c1 221285590 RXHHQCIVMUFZRK-UHFFFAOYSA-N 241.699 3.090 50 50 BGGA Cc1oc(-c2ccccc2)nc1C(=O)Cl 1557452 RWVAPUPMWDZLGV-UHFFFAOYSA-N 221.643 3.029 50 50 BGGA C=C(C)c1cccc(C(C)(C)N=C=O)c1 2571948 ZVEMLYIXBCTVOF-UHFFFAOYSA-N 201.269 3.291 50 50 BGGA O=C1OC(=O)c2cc3cc4ccccc4cc3cc21 100022245 AJXNLGUENUIIRW-UHFFFAOYSA-N 248.237 3.304 50 50 BGGA O=C(Cl)c1cc2cc(Cl)ccc2[nH]1 36373162 LBBTVMUXRHWFQA-UHFFFAOYSA-N 214.051 3.200 50 50 BGGA BrC[C@H]1CCc2ccccc2C1 71786008 MUGPULGJDGEABF-VIFPVBQESA-N 225.129 3.186 50 50 BGGA C=CCOCCO[Si](C)(C)C(C)(C)C 230843182 FNGDGVXPWQRJRG-UHFFFAOYSA-N 216.397 3.211 50 50 BGGA CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 2516161 OLRXUEYZKCCEKK-UHFFFAOYSA-N 237.255 3.081 50 50 BGGA in-vitro CCCCCCC[C@H](C)NC(=O)CCl 2159838 LQTKNVGPEBKFAP-JTQLQIEISA-N 219.756 3.090 50 50 BGGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCl 3865134 XHQPKRVACXDVNV-OUAUKWLOSA-N 232.751 3.229 50 50 BGGA in-vitro COc1ccc(C=C(C#N)C(=O)C(C)(C)C)cc1 2049286313 OGLVYRPWGYOFAJ-UHFFFAOYSA-N 243.306 3.217 50 50 BGGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1O 169834091 IAKVQZKBAVMFAQ-GHMZBOCLSA-N 230.424 3.312 50 50 BGGA C[C@@H](Cl)C(=O)Nc1ccc(F)c(Cl)c1 9738279 YVPGRZXOVIMESQ-RXMQYKEDSA-N 236.073 3.045 50 50 BGGA Cc1cc(OC(F)(F)F)ccc1C(=O)Cl 2382229 DHBUFFOSJJREPU-UHFFFAOYSA-N 238.592 3.273 50 50 BGGA Br[C@H]1CCCC[C@@H]1Br 100021118 CZNHKZKWKJNOTE-WDSKDSINSA-N 241.954 3.087 50 50 BGGA in-vitro CSc1cccc(CBr)c1 164976798 KXQGNTFIGUJDAS-UHFFFAOYSA-N 217.131 3.303 50 50 BGGA in-vitro O=C(CCc1ccccc1)NN=C1CCCCC1 281280 ZZMJBAMEOJUUMU-UHFFFAOYSA-N 244.338 3.056 50 50 BGGA C[C@H]1CCC/C(=N\NC(=O)Nc2ccccc2)C1 4947959 AXFUEEARSJFJTJ-QRKKIEFCSA-N 245.326 3.374 50 50 BGGA Br[C@@H]1[C@@]23C=CC=C[C@@]12CCC3 254383868 CPVKCUKTNFWZFN-ILWJIGKKSA-N 211.102 3.046 50 50 BGGA Cl[C@@H](C1CCCCC1)[C@@H]1CCCCN1 96027229 OLPWQLDKSWSWEZ-RYUDHWBXSA-N 215.768 3.316 50 50 BGGA Cc1cc(C)c2[nH]cc(C=C(C#N)C#N)c2c1 406486 XOWBAWZIYNDFDW-UHFFFAOYSA-N 221.263 3.215 50 50 BGGA CC[C@H](Oc1ccc(Cl)cc1)C(=O)Cl 36720646 LGEVIMQAAQJLEC-VIFPVBQESA-N 233.094 3.263 50 50 BGGA Nc1nc(-c2ccccc2)c(CCCl)s1 2168143 JXPRHIHSMPFRKN-UHFFFAOYSA-N 238.743 3.174 50 50 BGGA CC(C)(C)c1ccc(OCC(=O)Cl)cc1 2569755 CFTNMBDQWVPSHI-UHFFFAOYSA-N 226.703 3.128 50 50 BGGA in-vitro O=C(Cl)c1c(F)cccc1C(F)(F)F 2600080 ZDRYDSJMVRRAAF-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro CCOC(=O)NNc1ccc(Cl)c(Cl)c1 39286302 JLVAIPOSBJQZGC-UHFFFAOYSA-N 249.097 3.066 50 50 BGGA Cc1cc2oc(=O)cc(CCl)c2cc1C 489177 CLYXXOOLIRDIPC-UHFFFAOYSA-N 222.671 3.149 50 50 BGGA biogenic,in-vitro O=P(Cl)(c1ccccc1)c1ccccc1 45331656 QPQGTZMAQRXCJW-UHFFFAOYSA-N 236.638 3.154 50 50 BGGA Cc1cc(C)c(C(=O)CBr)cc1C 65335465 LFQSLAQRWRZCLW-UHFFFAOYSA-N 241.128 3.189 50 50 BGGA FC(F)(F)C[C@H](Br)C(F)(F)F 85650642 VFDODVLSQUKPSN-REOHCLBHSA-N 244.960 3.265 50 50 BGGA CC[C@H](c1ccccc1)c1noc(CCl)n1 142508182 HNASPJSEZJTKEV-SNVBAGLBSA-N 236.702 3.350 50 50 BGGA C=C(C)[C@@H]1CCC(C)=C1CC/C(C)=N/NC(N)=O 273102 YLEXIIDWHBFOPU-JASJWYONSA-N 249.358 3.113 50 50 BGGA biogenic O=C(Cl)Cc1ccc2ccccc2c1 2577949 QEJGMKHQXSZCOS-UHFFFAOYSA-N 204.656 3.148 50 50 BGGA in-vitro COc1ccccc1CCCBr 1639572 OMTJHFBMYNREKV-UHFFFAOYSA-N 229.117 3.023 50 50 BGGA in-vitro CCOC(=O)/C(C#N)=C/c1c(C)cc(C)cc1C 62860 RJBWWXGYWGHFMC-MDWZMJQESA-N 243.306 3.082 50 50 BGGA CC(C)(C)[Si](C)(C)OCCCCCO 169804937 ZPADIAOSJBISTI-UHFFFAOYSA-N 218.413 3.171 50 50 BGGA in-vitro O=C(CCCl)c1ccc(Cl)cc1 1668582 AYFJBHFMQODYBC-UHFFFAOYSA-N 203.068 3.152 50 50 BGGA in-vitro ClC(Cl)C(Cl)C(Cl)Cl 2018935 PANVCEBTPSTUEL-UHFFFAOYSA-N 216.322 3.201 50 50 BGGA in-vitro BrCc1ncoc1-c1ccccc1 158677 WHYSMAZUGYWNJN-UHFFFAOYSA-N 238.084 3.237 50 50 BGGA in-vitro Cc1ccc(NC(=O)OCCCl)c(C)c1 2170913 WYJVSUHFDZHBCW-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA C=C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 169747829 MTNTUAHMWISEEF-UHFFFAOYSA-N 248.547 3.487 50 50 BGGA Cc1c(C(=O)Cl)cccc1C(F)(F)F 2382302 XZUTXPBRISPHPS-UHFFFAOYSA-N 222.593 3.393 50 50 BGGA Cc1ccc(Cl)cc1NC(=O)[C@H](C)Cl 12504918 HDAWNZAPFXTOIJ-ZETCQYMHSA-N 232.110 3.214 50 50 BGGA CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Cl 36720634 YQCBRBMIKOTNPC-NSHDSACASA-N 226.703 3.226 50 50 BGGA Cc1onc(-c2ccccc2)c1C(=O)Cl 2169254 HXEVQMXCHCDPSO-UHFFFAOYSA-N 221.643 3.029 50 50 BGGA N#CSc1ccccc1Br 4242107 YGLCJPXYKGCEIZ-UHFFFAOYSA-N 214.087 3.022 50 50 BGGA CC(C)Cc1cc(N=C=O)n(-c2ccccc2)n1 71792221 JONJAJQCWMCLTA-UHFFFAOYSA-N 241.294 3.038 50 50 BGGA Cc1ccc(C(C)C)cc1NC(=O)CCl 71772966 DWYWJNHDVNOMGN-UHFFFAOYSA-N 225.719 3.296 50 50 BGGA Cc1cc(F)cc(CBr)c1 2243220 PVDKNKUVHSULSN-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro Cc1c(F)cccc1CBr 2510747 KIVGYOYBHWKBSZ-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro Cc1ccc2cccnc2c1CBr 958528247 PFONUTPLVBXTCN-UHFFFAOYSA-N 236.112 3.438 50 50 BGGA CC(=O)N(Nc1ccccc1)c1ccccc1 154528 LFKFRELTJWUQLE-UHFFFAOYSA-N 226.279 3.067 50 50 BGGA BrCc1ccc2scnc2c1 144536466 UFTYANOJBDTHEE-UHFFFAOYSA-N 228.114 3.191 50 50 BGGA Cc1sc2nc([C@@H](F)Cl)nc(O)c2c1C 1616033154 MCHNRRGWVOTWNT-ZCFIWIBFSA-N 246.694 3.221 50 50 BGGA N#C/C(=C/c1ccco1)c1cccc(F)c1 4739834 RTPCMBMLBIFLCD-FLIBITNWSA-N 213.211 3.483 50 50 BGGA COc1ccc(Br)c(CCl)c1 37405165 XVDBQNMBIOIJLX-UHFFFAOYSA-N 235.508 3.197 50 50 BGGA O=C=Nc1cccc(Oc2ccccc2)c1 2387271 HOJSXCMKZBXNEN-UHFFFAOYSA-N 211.220 3.446 50 50 BGGA in-vitro COc1ccc(/C(C#N)=C\c2ccco2)cc1 4826482 UMUCNUCHSNXBSM-XFXZXTDPSA-N 225.247 3.352 50 50 BGGA BrCc1nccc2ccccc12 158611 WGMSTZBEMVJMCR-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro O=C(Cl)COc1cc(Cl)ccc1Cl 33434603 IKJGJWREUUKZMA-UHFFFAOYSA-N 239.485 3.138 50 50 BGGA Cc1cccc(Br)c1C(=O)Cl 67800139 RBIRCIDQTDWTRH-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA BrC1[C@@]23CC=CC[C@]12CCC3 101038064 KFRLLHBETPZOCF-UWVGGRQHSA-N 213.118 3.270 50 50 BGGA Cl[C@H](CN1CCCC1)c1ccccc1 23583897 YYBONZFZXURILK-GFCCVEGCSA-N 209.720 3.062 50 50 BGGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1 196320549 LRENCRSBPCQZAY-NSHDSACASA-N 229.440 3.150 50 50 BGGA in-vitro Cc1cc(C)n(-c2cccc(CCl)c2)n1 19090351 RXECFDHLQLJWMF-UHFFFAOYSA-N 220.703 3.228 50 50 BGGA C[Si](C)(C)C#CCCCO[Si](C)(C)C 169827573 CHCWSBPYUGPTGD-UHFFFAOYSA-N 228.484 3.499 50 50 BGGA O=C(Cl)/C=C/c1c(F)cccc1Cl 33433459 ZSKVLMSUGHVRRT-SNAWJCMRSA-N 219.042 3.258 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](O)CC1 575447791 XGCCUZRKNCUVJK-PHIMTYICSA-N 230.424 3.312 50 50 BGGA Cc1onc(-c2ccc(F)cc2)c1C(=O)Cl 2513524 QRMOQEHQPOIZGC-UHFFFAOYSA-N 239.633 3.168 50 50 BGGA Fc1ccc(Br)cc1CCl 55412822 JKXAKUDNMINKEU-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro Fc1ccc(Br)c(CCl)c1 57385887 OPMKPLUMLVBPET-UHFFFAOYSA-N 223.472 3.327 50 50 BGGA in-vitro Cc1cc(C)c2oc(=O)cc(CCl)c2c1 489403 MZLCPSTYZJGACT-UHFFFAOYSA-N 222.671 3.149 50 50 BGGA biogenic,in-vitro CC[C@@H](c1ccccc1)c1noc(CCl)n1 142508395 HNASPJSEZJTKEV-JTQLQIEISA-N 236.702 3.350 50 50 BGGA CC(C)(CO)CO[Si](C)(C)C(C)(C)C 169828682 GBLPMGGDCFBKAT-UHFFFAOYSA-N 218.413 3.027 50 50 BGGA ClCc1nc2sc(CCl)nc2s1 2518959 VKCWKZOYTRLECY-UHFFFAOYSA-N 239.152 3.230 50 50 BGGA Cc1ccc2c(c1)c(C(=O)CCl)c(C)n2C 34925360 FNQWKKOZUUPLFQ-UHFFFAOYSA-N 235.714 3.217 50 50 BGGA Cl[C@H](CCN1CCCC1)c1ccccc1 95887586 DLUHIPWNCQJRJT-CYBMUJFWSA-N 223.747 3.452 50 50 BGGA N#CC(C#N)=Cc1ccccc1C(F)(F)F 292536 FKIOQZZAWYYRFQ-UHFFFAOYSA-N 222.169 3.136 50 50 BGGA O=C(Cl)c1cc2c(s1)CCCC2 2536631 NDXZYCKYJSHECJ-UHFFFAOYSA-N 200.690 3.006 50 50 BGGA in-vitro CC1(C)OB(/C=C/CCCCl)OC1(C)C 170174450 FYHBHADHHWPOFL-SOFGYWHQSA-N 230.544 3.193 50 50 BGGA N#CC(C#N)=Cc1ccc(Cl)c(Cl)c1 99407 LHEPUPUAFKDYOB-UHFFFAOYSA-N 223.062 3.424 50 50 BGGA ClC[C@H]1CCCN(Cc2ccccc2)C1 34133364 SHRHCPIREAQQDY-CYBMUJFWSA-N 223.747 3.137 50 50 BGGA O[C@H](CCCl)c1ccc(Cl)cc1 34999623 AGUYFKWDURVWJS-SECBINFHSA-N 205.084 3.002 50 50 BGGA CCCc1c(C(=O)Cl)cnn1-c1ccccc1 2555791 WGSJOUNRMCLMHQ-UHFFFAOYSA-N 248.713 3.204 50 50 BGGA O=[N+]([O-])c1cccc(C(Cl)Cl)c1 139460 QLYKBXXWYGHMRB-UHFFFAOYSA-N 206.028 3.071 50 50 BGGA Fc1ccc(C2(CCCCl)OCCO2)cc1 2163841 FXFDJSQOCVDXBX-UHFFFAOYSA-N 244.693 3.044 50 50 BGGA in-vitro Cl[C@H]1C=C[C@@H](Cl)[C@H]2[C@@H](Cl)[C@@H](Cl)[C@@H]12 257346711 OWAYRJCKLCVBJA-FLMNKLAKSA-N 245.964 3.232 50 50 BGGA C[Si](C)(C)O[C@@H](C#N)c1cccs1 196750439 LTECKCSGCDETOR-QMMMGPOBSA-N 211.362 3.164 50 50 BGGA in-vitro CO[P@](=O)(CCl)Oc1ccccc1 2963820 SLQUNKPBZFYTAD-CYBMUJFWSA-N 220.592 3.101 50 50 BGGA biogenic ClCc1cc(CCl)n([C@H]2CCCCO2)n1 6862791 VBGWHOMQIHLKKL-SNVBAGLBSA-N 249.141 3.060 50 50 BGGA COC(=O)N(CCC(C)(C)C=C(C)C)N=O 45070345 QYJJBEDTVIWOCL-UHFFFAOYSA-N 228.292 3.119 50 50 BGGA ICCC1CCCC1 144753281 QMSCSRFFXLJBFU-UHFFFAOYSA-N 224.085 3.002 50 50 BGGA C=CCO[C@H]1Oc2ccc(Cl)cc2C=C1C#N 71766191 HWTMSGJSLLHDQN-ZDUSSCGKSA-N 247.681 3.168 50 50 BGGA CC(=O)/C=C/c1ccc(OCCCCl)cc1 12351464 MJDJGBZBAKOMCN-ONEGZZNKSA-N 238.714 3.297 50 50 BGGA Cl[C@@H]1[C@H]2CCCC[C@@H](S2)[C@H]1Cl 104282395 SDXOVOPMKQQVDQ-WCTZXXKLSA-N 211.157 3.259 50 50 BGGA CCC[C@H](SC#N)C(=O)c1ccccc1 406198 CAXBWNRYCXESAV-NSHDSACASA-N 219.309 3.252 50 50 BGGA O=C(Cl)c1ccc(Cl)cc1Cl 1848570 CEOCVKWBUWKBKA-UHFFFAOYSA-N 209.459 3.372 50 50 BGGA Cc1cc(Br)cc(C)c1N=C=O 2384716 XGBDVSJAHTYSBK-UHFFFAOYSA-N 226.073 3.033 50 50 BGGA O=C=Nc1ccc2c(c1)Cc1ccccc1-2 2387315 HJROCLJFUOYQNP-UHFFFAOYSA-N 207.232 3.225 50 50 BGGA FC(F)(F)[C@H](Cl)[C@H](Cl)C(F)(F)F 95682151 DRNMSWBRUAIIJO-XIXRPRMCSA-N 234.954 3.326 50 50 BGGA S=C=Nc1ccc(-c2ccccn2)cc1 71773259 XGSKDONFICBTBW-UHFFFAOYSA-N 212.277 3.483 50 50 BGGA CSc1ccccc1NC(=O)OCCCl 2026843 SEXKJFDMZAGBSZ-UHFFFAOYSA-N 245.731 3.196 50 50 BGGA O=C(CCl)Cc1ccccc1C(F)(F)F 238575061 YWWKERNCOXNURK-UHFFFAOYSA-N 236.620 3.056 50 50 BGGA C[C@H](Cl)C(=O)Nc1cccc2ccccc12 3886975 HZEXEFBFZFWVOD-VIFPVBQESA-N 233.698 3.406 50 50 BGGA C[C@H](Cl)OC(=O)OC1CCCCC1 21301187 ONZWFHWHTYZZLM-SSDOTTSWSA-N 206.669 3.057 50 50 BGGA CC(C)(C#N)c1ccccc1CBr 82162946 KQJPRRCCABIPBT-UHFFFAOYSA-N 238.128 3.383 50 50 BGGA in-vitro C[C@H](Cl)C(=O)NCCC1=CCCCCC1 1875378208 XJCLKAQJNVTCTP-JTQLQIEISA-N 229.751 3.011 50 50 BGGA N#CC(C#N)=Cc1c[nH]c2ccc(Cl)cc12 390484 HVDRVPASVUDZIE-UHFFFAOYSA-N 227.654 3.252 50 50 BGGA O=C(Cl)c1cncc(-c2cccs2)c1 2582862 KILXHIFMFLNWTA-UHFFFAOYSA-N 223.684 3.189 50 50 BGGA ClCc1ncccc1OCc1ccccc1 116557104 SAVDUNLFCYMROD-UHFFFAOYSA-N 233.698 3.399 50 50 BGGA O=[N+]([O-])c1cc(Cl)ccc1SCl 101368578 ZJYRTZGGVYCECG-UHFFFAOYSA-N 224.068 3.494 50 50 BGGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)Cl 33434305 HAAYQLGWWSPJJD-SECBINFHSA-N 234.682 3.373 50 50 BGGA CCOc1ccc(NC(=O)CCCCl)cc1 3080943 KSQUOJUACOQXFI-UHFFFAOYSA-N 241.718 3.043 50 50 BGGA COc1cc(CCl)cc(CCl)c1 3136782 AUYFWAXRXZYACV-UHFFFAOYSA-N 205.084 3.173 50 50 BGGA C/C(CC(C)C)=N\NC(=O)c1cc(C)oc1C 5679441 FSQGBOXBRFFMDO-NTEUORMPSA-N 236.315 3.048 50 50 BGGA CCOC(=O)c1ccc(N=C=S)c(Cl)c1 31829470 JMUQACIVVZTISD-UHFFFAOYSA-N 241.699 3.251 50 50 BGGA ClCc1nc2cc(Cl)cnc2s1 66054856 YPBUNWSZSDVNHI-UHFFFAOYSA-N 219.096 3.084 50 50 BGGA in-vitro COc1ccc(CC(C)(C)C(=O)Cl)cc1 263623673 JOXGMEIEOQCUGY-UHFFFAOYSA-N 226.703 3.029 50 50 BGGA CC1(C)Cc2ccccc2C(CCl)=N1 87206 DHSVZFOMFDMCRI-UHFFFAOYSA-N 207.704 3.049 50 50 BGGA in-vitro Cc1cc(Br)ccc1C(=O)Cl 36533250 JFRRHWPXPJGZLY-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA BrC1[C@@]23C=CC=C[C@]12CCC3 101038025 CPVKCUKTNFWZFN-UWVGGRQHSA-N 211.102 3.046 50 50 BGGA CC(C)c1ccccc1NC(=O)CCCl 4655648 DDVNYPWZRZDETF-UHFFFAOYSA-N 225.719 3.377 50 50 BGGA in-vitro Fc1cc(Cl)ccc1-c1nnc(CCl)o1 19402459 KOUMFDONMQMDRD-UHFFFAOYSA-N 247.056 3.268 50 50 BGGA N#C/C(=C(/N)c1ccccc1)c1ccccc1 19910502 KEKPTCUUOVEUNV-PFONDFGASA-N 220.275 3.037 50 50 BGGA COc1cc(CCl)ccc1SC 62151960 MOJDXRPMPVKFPC-UHFFFAOYSA-N 202.706 3.156 50 50 BGGA in-vitro ClCc1ncc2cc(Cl)ccc2n1 306712567 ZIFRKKQJRCDQRW-UHFFFAOYSA-N 213.067 3.022 50 50 BGGA O=CC1=CS[C@@H]2c3ccccc3C=C[C@@H]12 335888 TWECZXHHGHCOOH-QWHCGFSZSA-N 214.289 3.200 50 50 BGGA O[C@@H](CCl)c1ccc(Cl)cc1Cl 2140832 XHEPANNURIQWRM-QMMMGPOBSA-N 225.502 3.266 50 50 BGGA in-vitro FC(F)(CBr)c1ccccc1 54967619 MOAOYTRHHQMNAF-UHFFFAOYSA-N 221.044 3.173 50 50 BGGA C[Si](C)(C)O[C@H](C#N)c1cccs1 196750448 LTECKCSGCDETOR-MRVPVSSYSA-N 211.362 3.164 50 50 BGGA in-vitro Cl[C@@H](C1CCCCC1)[C@H]1CCCCN1 96027231 OLPWQLDKSWSWEZ-NEPJUHHUSA-N 215.768 3.316 50 50 BGGA CC/C(O)=C(\C#N)c1nc2ccccc2s1 100158148 POGWDZMDYWRHKY-NTMALXAHSA-N 230.292 3.499 50 50 BGGA C[Si](C)(C)O[C@H](C#N)c1ccccc1 170172641 DTAFQWDNWAXRLX-LLVKDONJSA-N 205.333 3.103 50 50 BGGA in-vitro O[C@@H](c1cccc(Cl)c1)C(Cl)Cl 2012333 INLMRTPMNPOFAV-ZETCQYMHSA-N 225.502 3.177 50 50 BGGA Cc1cccc(NC(=O)OCCCl)c1C 2171495 XVCSMLMQDSARPI-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA C[C@@H](Br)C(=O)c1ccc(Cl)cc1 2162003 SAKMPXRILWVZEG-ZCFIWIBFSA-N 247.519 3.306 50 50 BGGA in-vitro CC(C)(C)[Si](C)(C)OCCN=[N+]=[N-] 170009275 FWOURPSKAHEJOB-UHFFFAOYSA-N 201.346 3.319 50 50 BGGA FC(F)(Cl)[C@@](F)(Cl)CCCl 2555210 UTSMKNWCCZMNHL-GSVOUGTGSA-N 215.429 3.352 50 50 BGGA in-vitro C[C@H](Br)c1ccc([N+](=O)[O-])cc1 37177241 LLTKPPRBFXTUKH-LURJTMIESA-N 230.061 3.051 50 50 BGGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)CC1 710673639 XGCCUZRKNCUVJK-XYPYZODXSA-N 230.424 3.312 50 50 BGGA O=C(Cl)c1ccc(-c2ccccc2)o1 6242699 YUCYPPIIPWVJMM-UHFFFAOYSA-N 206.628 3.326 50 50 BGGA C[C@H](Br)c1ccccc1F 57214303 VYBHHNJUTAAMCG-LURJTMIESA-N 203.054 3.282 50 50 BGGA in-vitro O=CC1=CS[C@H]2c3ccccc3C=C[C@H]12 335893 TWECZXHHGHCOOH-OLZOCXBDSA-N 214.289 3.200 50 50 BGGA FC(F)(F)[C@H](Cl)[C@@H](Cl)C(F)(F)F 95682152 DRNMSWBRUAIIJO-JCYAYHJZSA-N 234.954 3.326 50 50 BGGA O=C(O)CCCCCCCCBr 2508033 XEGRKZRPTBNSMN-UHFFFAOYSA-N 237.137 3.197 50 50 BGGA O=C(Cl)c1cc(F)c(F)c(Cl)c1F 2525760 IEDMMCZBIKXEJP-UHFFFAOYSA-N 228.984 3.136 50 50 BGGA in-vitro N#C[C@@H](O)c1cccc(Oc2ccccc2)c1 59804125 GXUQMKBQDGPMKZ-CQSZACIVSA-N 225.247 3.036 50 50 BGGA in-vitro Cc1oc(-c2ccccc2)nc1CCl 2570169 VCTKYTBWZTZPHF-UHFFFAOYSA-N 207.660 3.389 50 50 BGGA in-vitro CCn1cc(C(=O)CCl)c2ccccc21 4414458 WNMHTYBLNYRIAH-UHFFFAOYSA-N 221.687 3.083 50 50 BGGA in-vitro BrCc1ccc2ccncc2c1 35269684 CIIDCMOAXHCLDK-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro Fc1cccc(CCCBr)c1 60712430 CDHMFRCDGRGHMA-UHFFFAOYSA-N 217.081 3.153 50 50 BGGA in-vitro CCN(CC)P(Cl)N(CC)CC 95719228 JVEHJSIFWIIFHM-UHFFFAOYSA-N 210.689 3.136 50 50 BGGA in-vitro CCCOc1ccc(OCCCl)cc1 19094262 LECGGZPJZOZRRE-UHFFFAOYSA-N 214.692 3.093 50 50 BGGA in-vitro O=C(NC1CCCC1)c1ccc(CCl)cc1 34975416 KVZQPMLXHYWPHF-UHFFFAOYSA-N 237.730 3.098 50 50 BGGA C/C(Br)=C\CCCBr 71784980 QJOBQKZKRBNEMC-GQCTYLIASA-N 241.954 3.460 50 50 BGGA ClCc1nc(-c2cccc(Cl)c2)no1 4206835 TWFGGYWZWDPXGT-UHFFFAOYSA-N 229.066 3.129 50 50 BGGA in-vitro ClCc1ccc(-c2ccccc2)nc1 3883855 GKDIPQQWMXERFU-UHFFFAOYSA-N 203.672 3.487 50 50 BGGA in-vitro ClCCCCCCO[C@H]1CCCCO1 1570816 XOLOZSPDGPUSFV-LLVKDONJSA-N 220.740 3.329 50 50 BGGA S=C=Nc1cc(C2CC2)nn1-c1ccccc1 71792209 VMXQOBCCAOMGMC-UHFFFAOYSA-N 241.319 3.484 50 50 BGGA FC(F)(F)c1ccc(N=C=S)cc1 167173 DQEVDFQAYLIBRD-UHFFFAOYSA-N 203.188 3.440 50 50 BGGA in-vitro CC(C)c1ccc(NC(=O)[C@H](C)Cl)cc1 3410638 RBSDGOJYCXDTEV-VIFPVBQESA-N 225.719 3.376 50 50 BGGA in-vitro Cc1cccc(C(C)C)c1CC(=O)CCl 601147059 VLDSFPBLAMJLQZ-UHFFFAOYSA-N 224.731 3.469 50 50 BGGA Cc1cc(F)c(F)cc1CBr 263625427 ZVYYXJSCXIAFGS-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA CC[C@H](Oc1cccc(Cl)c1)C(=O)Cl 36720642 ZTMRGMNBDJDUQD-VIFPVBQESA-N 233.094 3.263 50 50 BGGA Cc1cccc(C)c1NC(=O)OCCCl 2162146 NBUREZWYEVYFIH-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA in-vitro C[C@H](Oc1ccc2ccccc2c1)C(=O)Cl 33434306 HAAYQLGWWSPJJD-VIFPVBQESA-N 234.682 3.373 50 50 BGGA O=C=Nc1ccc(-c2ccccc2)s1 158689 HEDGSHFNFRGBDX-UHFFFAOYSA-N 201.250 3.382 50 50 BGGA Cc1cc(F)cc(F)c1CBr 263624164 OANHCRTYFDLKQB-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA Cc1ccc2nc(CCl)nc(Cl)c2c1 59072531 CTGWKVLYJSVSDC-UHFFFAOYSA-N 227.094 3.330 50 50 BGGA Cc1nn(Cc2ccccc2)c(C)c1N=C=S 2536599 RZHWVGHFZBUKRI-UHFFFAOYSA-N 243.335 3.283 50 50 BGGA CC(C)(Oc1ccccc1Cl)C(=O)Cl 33434253 XSVVKXORYQPBMD-UHFFFAOYSA-N 233.094 3.263 50 50 BGGA Cc1cc(C)c(C)c(C=C(C#N)C#N)c1C 42464 MMZPQUIYAGVSOM-UHFFFAOYSA-N 210.280 3.351 50 50 BGGA ClCc1ccc(CN2CCCC2)cc1 45205601 SHHLDUFMLLYCTD-UHFFFAOYSA-N 209.720 3.021 50 50 BGGA in-vitro Oc1c(Cl)cc(N=C=S)cc1Cl 336177 BVNXYDCEURLGRS-UHFFFAOYSA-N 220.080 3.433 50 50 BGGA FC(F)(F)C(Cl)(CCl)C(F)(F)F 2386464 BDDXNQXIECRUSQ-UHFFFAOYSA-N 234.954 3.327 50 50 BGGA in-vitro O[C@H](CCl)c1ccc(Cl)cc1Cl 2140830 XHEPANNURIQWRM-MRVPVSSYSA-N 225.502 3.266 50 50 BGGA in-vitro C[C@@H](Br)C(=O)c1ccccc1Cl 38634141 QXBPNBFQCNGDTQ-ZCFIWIBFSA-N 247.519 3.306 50 50 BGGA in-vitro Cc1cccc(N=C=S)c1Br 40571408 WPHXXQKNTKBKSF-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA Cl[C@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C=C[C@H]43)[C@H]2[C@H]1Cl 254439633 XHVCLSVMXDWLKI-MACVEKMSSA-N 227.134 3.065 50 50 BGGA Cc1ccc(C(=O)Cl)cc1Br 2574143 LQBIFQKBCLOXHC-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA C[C@@H]1CCc2sc(C(=O)Cl)cc2C1 6678377 RAQMTDUDQJTUHH-ZCFIWIBFSA-N 214.717 3.252 50 50 BGGA ICCC1CCCCC1 96891119 QQLSWNGYIUYOQV-UHFFFAOYSA-N 238.112 3.392 50 50 BGGA FC(F)(F)CCCCBr 71618457 BEQKYEJRVRVZNZ-UHFFFAOYSA-N 205.017 3.114 50 50 BGGA in-vitro Cc1nc(-c2cccc(C(=O)Cl)c2)cs1 4277289 HPNXILHANJPJMT-UHFFFAOYSA-N 237.711 3.498 50 50 BGGA CCn1cc(C=C(C#N)C#N)c2ccccc21 436112 DTRIYJIJTCGQIK-UHFFFAOYSA-N 221.263 3.092 50 50 BGGA Cc1cc(CCl)c(O)c(CCl)c1 1760431 NUSAOAJCGJSAIU-UHFFFAOYSA-N 205.084 3.178 50 50 BGGA N#C/C(=C/c1ccco1)c1cccc([N+](=O)[O-])c1 5028066 NSBPSDPEPDOQBW-FLIBITNWSA-N 240.218 3.252 50 50 BGGA COc1ccc(C[C@@H](C)Br)c(C)c1 3132730 FZWCPMZUOCFBRO-SECBINFHSA-N 243.144 3.330 50 50 BGGA CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)cc1 2040447128 OKNFSCQEZGLFOU-UHFFFAOYSA-N 231.270 3.348 50 50 BGGA Cc1ccc(F)c(CBr)c1F 2574951 IHFNXAURNLUMOH-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA in-vitro O=C(C1CC1)[C@H](Cl)c1ccccc1F 67172328 PUSSGWBQJBLHJL-SNVBAGLBSA-N 212.651 3.085 50 50 BGGA CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Cl 36720636 YQCBRBMIKOTNPC-LLVKDONJSA-N 226.703 3.226 50 50 BGGA Fc1cc(CCCl)ccc1Br 162579102 LVXYFXJLTFWKOM-UHFFFAOYSA-N 237.499 3.370 50 50 BGGA in-vitro CCN(CC)c1ccc(N=C=S)cc1 2390097 PGWXUTHWTCRUAM-UHFFFAOYSA-N 206.314 3.267 50 50 BGGA in-vitro Cc1ccc(CBr)c(C)c1F 306627731 IXULUCSCNNLEHW-UHFFFAOYSA-N 217.081 3.337 50 50 BGGA O=C=Nc1cc(C(F)(F)F)ccc1Cl 2384709 WEPYOPYMWSHRIW-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA in-vitro O=C=NC(c1ccccc1)c1ccccc1 2387327 BWLKKFSDKDJGDZ-UHFFFAOYSA-N 209.248 3.112 50 50 BGGA in-vitro Cc1cc(C)c(C)c(/C=C(/C#N)C(N)=S)c1C 42466 DKMNDHCKWPIRJA-SDQBBNPISA-N 244.363 3.113 50 50 BGGA O=C(CBr)c1cccc2ccccc12 8939698 OQLCVXVVASQZLX-UHFFFAOYSA-N 249.107 3.417 50 50 BGGA BrCc1nc2ccccc2s1 158624 WFLCAOGKZQTOIG-UHFFFAOYSA-N 228.114 3.191 50 50 BGGA in-vitro ClCc1nc2cc3ccccc3cc2[nH]1 333680 PTCZGPSLTIZSEH-UHFFFAOYSA-N 216.671 3.455 50 50 BGGA C[C@@H](Br)CC[C@@H](C)Br 2579097 MQYLGFBWOZXHHF-PHDIDXHHSA-N 243.970 3.333 50 50 BGGA Cc1cc(O[C@H](C)C(=O)Cl)cc(C)c1Cl 33435068 GZCMIOVDMJERDM-MRVPVSSYSA-N 247.121 3.490 50 50 BGGA Cc1c(OCC(F)(F)F)ccnc1CCl 58231 AENYCMZUDXQARW-UHFFFAOYSA-N 239.624 3.070 50 50 BGGA in-vitro N#CC(C#N)=CNc1cc(Cl)cc(Cl)c1 2508325 VYVLXCBTKLOFKO-UHFFFAOYSA-N 238.077 3.336 50 50 BGGA Fc1cc(CBr)ccc1Cl 2527782 CNUYBEIHDWMLSD-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro C[Si](C)(C)Oc1ccccc1[Si](C)(C)C 169807344 DDDPAJOITCAMJL-UHFFFAOYSA-N 238.479 3.446 50 50 BGGA Cc1cc(Br)ccc1N=C=S 2168493 YASXCQRGYJGIKD-UHFFFAOYSA-N 228.114 3.492 50 50 BGGA in-vitro FC(F)(F)[C@@H](Cl)[C@H](Cl)C(F)(F)F 2576911 DRNMSWBRUAIIJO-LWMBPPNESA-N 234.954 3.326 50 50 BGGA Cc1ccc(F)c(F)c1CBr 263623148 FCVNHLPILGIAFT-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA BrC1C2CC3CC(C2)CC1C3 2149500 RCXJARRRXOPXBC-UHFFFAOYSA-N 215.134 3.206 50 50 BGGA in-vitro N#CSCCCOc1ccccc1Cl 2875141 SWLAVLNHDBIYSY-UHFFFAOYSA-N 227.716 3.323 50 50 BGGA N#CC(C#N)=Cc1ccc2ccccc2c1 283009 UETSUBDMYFNYDL-UHFFFAOYSA-N 204.232 3.270 50 50 BGGA O=C(CCl)c1csc2ccccc12 2169497 OTWORIPHJRKXBR-UHFFFAOYSA-N 210.685 3.323 50 50 BGGA ClCC1CCN(Cc2ccccc2)CC1 1865794 JQRPAXCUPFDKRT-UHFFFAOYSA-N 223.747 3.137 50 50 BGGA N#Cc1ccc(N=C=S)c(C(F)(F)F)c1 31829457 JQJUBCSLYJYXFZ-UHFFFAOYSA-N 228.198 3.311 50 50 BGGA ClCc1nnc(-c2ccc(Cl)cc2)o1 1081481 AJKIAERFLWQLAM-UHFFFAOYSA-N 229.066 3.129 50 50 BGGA in-vitro Cc1ccc(NC(=O)[C@@H](C)Cl)cc1Cl 2048013 FUXOKPDZWMHPMC-SSDOTTSWSA-N 232.110 3.214 50 50 BGGA CCCCCCC[C@H](Br)C(=O)O 2524721 MELJYLJLJXTLGX-QMMMGPOBSA-N 237.137 3.195 50 50 BGGA C[C@@H](Cl)OC(=O)Oc1cc(F)ccc1F 1534067574 IIHHXJMFTJJBEA-YFKPBYRVSA-N 236.601 3.065 50 50 BGGA O=C(Cl)Cc1cc(Cl)ccc1Cl 16125384 JMYRSGUMKCHSRO-UHFFFAOYSA-N 223.486 3.301 50 50 BGGA in-vitro CC(C)O[P@@](C)(=O)O[Si](C)(C)C 195781389 SVOLQKHGSREJLY-LLVKDONJSA-N 210.286 3.086 50 50 BGGA CCOc1ccc(CCl)c(F)c1F 261508412 SDAOLASOGRDSRD-UHFFFAOYSA-N 206.619 3.102 50 50 BGGA CC[C@H](Oc1ccccc1Cl)C(=O)Cl 36720638 RKCZDSUAJYDITF-QMMMGPOBSA-N 233.094 3.263 50 50 BGGA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Cl 12504917 HDAWNZAPFXTOIJ-SSDOTTSWSA-N 232.110 3.214 50 50 BGGA Fc1cccc(Cl)c1CBr 54967622 IGUVNNXFTDCASP-UHFFFAOYSA-N 223.472 3.374 50 50 BGGA in-vitro O=C(CCl)c1ccc(Cl)c(Cl)c1 1764677 BYTZWANJVUAPNO-UHFFFAOYSA-N 223.486 3.415 50 50 BGGA in-vitro C=C(CCl)CCOC(=O)c1ccccc1 43214725 KVINIZKQJNIDPP-UHFFFAOYSA-N 224.687 3.029 50 50 BGGA Fc1cc(Br)cc(N=C=S)c1 307151814 FNTJGOMDKLKYMJ-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA Fc1cc(N=C=S)c(F)cc1Cl 67800008 FZICMKIORMLMJX-UHFFFAOYSA-N 205.616 3.353 50 50 BGGA O=C(Cl)c1ccc(Oc2ccccc2)nc1 2582848 GPRAVIOXVXPJHC-UHFFFAOYSA-N 233.654 3.253 50 50 BGGA FC(F)(F)Oc1cccc(N=C=S)c1 4344262 HMLWHJZZNJAFOM-UHFFFAOYSA-N 219.187 3.320 50 50 BGGA in-vitro O[C@@H](CCCl)c1ccc(Br)cc1 34484204 STJKBOMYDGMFKB-VIFPVBQESA-N 249.535 3.111 50 50 BGGA N#CSc1c(Cl)cc(N)cc1Cl 38537510 AUQLKWHRBNNOEH-UHFFFAOYSA-N 219.096 3.149 50 50 BGGA in-vitro O=C=Nc1ccc(Cl)c(C(F)(F)F)c1 152294 NBJZEUQTGLSUOB-UHFFFAOYSA-N 221.565 3.326 50 50 BGGA in-vitro O=C(Cl)OCc1ccccc1Cl 403277 GCCKNHYFOVQZRG-UHFFFAOYSA-N 205.040 3.215 50 50 BGGA in-vitro Fc1cnc(-c2ccc(CCl)cc2)nc1 201072224 CKTUHYGHPKNGLE-UHFFFAOYSA-N 222.650 3.022 50 50 BGGA in-vitro CC(C)c1ccc(NC(=O)CCCl)cc1 5384770 MEAPRSDUXBHXGD-UHFFFAOYSA-N 225.719 3.377 50 50 BGGA in-vitro Cc1cc(C)c(C(=O)CBr)c(C)c1 1587644 HRAZXKYOYNRVMU-UHFFFAOYSA-N 241.128 3.189 50 50 BGGA FC(F)(F)C[C@@H](Cl)C(F)(F)F 2379393 PREWBNUKNNTMHC-UWTATZPHSA-N 200.509 3.109 50 50 BGGA in-vitro Cc1cc(C)c(N=C=O)c(C)c1Br 2511688 PXIWEPBSGPAODI-UHFFFAOYSA-N 240.100 3.342 50 50 BGGA N#Cc1cc(Cl)ccc1CBr 39261975 CYBMZAPDOKDQJF-UHFFFAOYSA-N 230.492 3.107 50 50 BGGA in-vitro CCCCOc1cccc(C(=O)Cl)c1 33433265 GPWJITZVIMLMNX-UHFFFAOYSA-N 212.676 3.245 50 50 BGGA in-vitro Cc1ccc2c(C(=O)CCl)c(C)n(C)c2c1 529794 OMQZVNZNAUJTEN-UHFFFAOYSA-N 235.714 3.217 50 50 BGGA FC(F)Oc1ccc(N=C=S)cc1 2566584 WSXQLHDOWYXTMQ-UHFFFAOYSA-N 201.197 3.022 50 50 BGGA in-vitro Fc1cc(Br)cc(F)c1CCl 71257032 MIRBGKHXWLNQOC-UHFFFAOYSA-N 241.462 3.466 50 50 BGGA in-vitro CCCCN(C(=O)CCl)c1ccccc1 1586555 CWNLORRUNMOBMG-UHFFFAOYSA-N 225.719 3.059 50 50 BGGA O=C(Nc1ccc(Cl)cc1)C(Cl)Cl 1596280 PZDAVLWZYYLGOR-UHFFFAOYSA-N 238.501 3.082 50 50 BGGA FC(F)(F)Oc1ccc(CN=C=S)cc1 31829490 MCWUXZLJINGXET-UHFFFAOYSA-N 233.214 3.188 50 50 BGGA in-vitro O=C(Cl)c1cccc(F)c1C(F)(F)F 2382113 FHWMGBNKQOJFOJ-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro O=C(Cl)c1ccc2nc(Cl)ccc2c1 105642434 RHICTGVDWYLWMG-UHFFFAOYSA-N 226.062 3.267 50 50 BGGA CC(C)(C)[Si](C)(C)OCC1(CO)CCC1 196805300 AONWRCHOMRHIOU-UHFFFAOYSA-N 230.424 3.171 50 50 BGGA Cc1c(F)ccc(F)c1CBr 263623141 FAKXRCCPCBCWGE-UHFFFAOYSA-N 221.044 3.168 50 50 BGGA Cc1ccc(CN[C@@H]2CC=C(C#N)CC2)cc1 1875288959 NFGJUKOMXLXOIX-OAHLLOKOSA-N 226.323 3.087 50 50 BGGA Fc1cc(F)c(F)c(CBr)c1F 2560387 QHZBSXQCGIQSID-UHFFFAOYSA-N 242.997 3.138 50 50 BGGA CCCC[C@H](Br)CBr 2561334 NUUUANNAZVEWHM-LURJTMIESA-N 243.970 3.335 50 50 BGGA Cc1cccc(OCCCBr)c1 1586424 FANHQLQOKQMXSI-UHFFFAOYSA-N 229.117 3.159 50 50 BGGA c1ccc([P+]2(c3ccccc3)CCCC2)cc1 100696938 ACYZMUXTLVRIMK-UHFFFAOYSA-N 241.294 3.449 50 50 BGGA N#CSc1ccc(Br)cc1F 604221642 MYGLERGEYAOHMM-UHFFFAOYSA-N 232.077 3.161 50 50 BGGA FC(F)Oc1cccc(N=C=S)c1 15444586 WVUHUSMEEQIPKP-UHFFFAOYSA-N 201.197 3.022 50 50 BGGA CCCCCCCCCC1=CC(=O)OC1=O 147807362 BSJUTKXCEOHRAV-UHFFFAOYSA-N 224.300 3.137 50 50 BGGA COc1cccc(-c2nc(CCl)c(C)o2)c1 19088780 VWFGBAZRKXYFCO-UHFFFAOYSA-N 237.686 3.397 50 50 BGGA O=P(Cl)(Cl)C(Cl)Cl 100128927 BKNIHVRMZADYLF-UHFFFAOYSA-N 201.804 3.418 50 50 BGGA CC(C)Oc1cccc(OCCCl)c1 19094296 FFOCSJPZJHRUJL-UHFFFAOYSA-N 214.692 3.091 50 50 BGGA in-vitro O=C(Cl)c1csc2c1CCCC2 40451412 AUTYFGHABWCHOO-UHFFFAOYSA-N 200.690 3.006 50 50 BGGA COc1cc(OC)c(N=C=S)cc1Cl 2169693 BXJOFCAXBGIDIR-UHFFFAOYSA-N 229.688 3.092 50 50 BGGA in-vitro [C-]#[N+]CCc1c(Cl)cccc1Cl 95698205 QAHLCZIMISAKKA-UHFFFAOYSA-N 200.068 3.455 50 50 BGGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](N)CC1 261507449 ISXIKNULHMXZTR-XYPYZODXSA-N 229.440 3.278 50 50 BGGA C[C@@H](CBr)COCc1ccccc1 4293832 QVIBBFFDRDHFSJ-JTQLQIEISA-N 243.144 3.234 50 50 BGGA O=C(Cl)c1cc(Cl)nc2ccccc12 1841273 KTMXEEOPGLOPMJ-UHFFFAOYSA-N 226.062 3.267 50 50 BGGA in-vitro CCCc1ccc([C@@H](C)NC(=O)CCl)cc1 19094388 RJWMQYIQUROZOP-SNVBAGLBSA-N 239.746 3.055 50 50 BGGA O=N[C@@H](Cl)Cc1c(Cl)cccc1[N+](=O)[O-] 71780446 NGERERQBVQSBEM-MRVPVSSYSA-N 249.053 3.122 50 50 BGGA CCCCCCCC[Si](OC)(OC)OC 169745005 NMEPHPOFYLLFTK-UHFFFAOYSA-N 234.412 3.225 50 50 BGGA O[C@@H](CCl)c1ccc(Cl)c(Cl)c1 12506209 LKALNWLBXMXTJS-QMMMGPOBSA-N 225.502 3.266 50 50 BGGA in-vitro O=C(Cl)CCCCOc1ccc(F)cc1 263624802 UJFLZFTZQDMLCY-UHFFFAOYSA-N 230.666 3.140 50 50 BGGA CN(C)/C=C(\C#N)c1ccc(Cl)cc1Cl 169906 QTBMTYBKXIUHHH-BQYQJAHWSA-N 241.121 3.419 50 50 BGGA O=C(Cl)c1ccc(F)c(C(F)(F)F)c1 2600079 BUDISZQHCHGLJW-UHFFFAOYSA-N 226.556 3.224 50 50 BGGA in-vitro FC(F)(F)CC(F)(F)C(Cl)Cl 100045285 AMKQXWMMSDACQF-UHFFFAOYSA-N 216.964 3.378 50 50 BGGA in-vitro CCOC(=S)SSC(=S)OCC 1595003 FVIGODVHAVLZOO-UHFFFAOYSA-N 242.412 3.011 50 50 BGGA in-man CCc1ccc(O[C@@H](CC)C(=O)Cl)cc1 40451370 VFIMOGXIYHQWPS-NSHDSACASA-N 226.703 3.172 50 50 BGGA CC(C)(Oc1ccc(Cl)cc1)C(=O)CCl 675068358 XNPWJOJNKQPIBE-UHFFFAOYSA-N 247.121 3.305 50 50 BGGA FC(F)(F)c1ccc(Cl)c(CCl)n1 238571260 SELCIJMUQSQJQX-UHFFFAOYSA-N 230.016 3.493 50 50 BGGA Cc1cc(OCC(=O)Cl)cc(C)c1Cl 5697746 WPIRXCPYYIXJPS-UHFFFAOYSA-N 233.094 3.101 50 50 BGGA C[C@H](Cl)CNCCc1ccc(Cl)cc1 22016901 IMMGGYIXPZKRMM-VIFPVBQESA-N 232.154 3.099 50 50 BGGA in-vitro ClC[C@@H]1CCCN(Cc2ccccc2)C1 34133366 SHRHCPIREAQQDY-ZDUSSCGKSA-N 223.747 3.137 50 50 BGGA CCCOP(=O)(CCl)OCCC 1635579 YKMUHKQSUBZERU-UHFFFAOYSA-N 214.629 3.229 50 50 BGGA in-vitro Cc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 510955 OKTNZZHETSORPO-LFIBNONCSA-N 244.338 3.025 50 50 BGGA CSC(Nc1ccc(F)c(C)c1)=C(C#N)C#N 4110040 QTOWJXSMQFJBCQ-UHFFFAOYSA-N 247.298 3.168 50 50 BGGA F[C@H]([C@@H](Cl)C(F)(F)F)C(F)(F)F 2243395 YCBUFAWATXHLGJ-JCYAYHJZSA-N 218.499 3.057 50 50 BGGA in-vitro O=C=NC1c2ccccc2-c2ccccc21 2387317 ZCUDVRDYVSFUTC-UHFFFAOYSA-N 207.232 3.092 50 50 BGGA in-vitro Cc1nc(-c2ccccc2)sc1C(=O)Cl 2582821 ZQWZVEKZFVCSNY-UHFFFAOYSA-N 237.711 3.498 50 50 BGGA CC(C)(C)c1ccc(NC(=O)[C@H](F)Cl)cc1 1875359006 QMEONYMIUSIQSF-JTQLQIEISA-N 243.709 3.457 50 50 BGGA O=C(OCCl)c1ccc(Cl)cc1Cl 1755933 DOIDCVLQRFSVNF-UHFFFAOYSA-N 239.485 3.347 50 50 BGGA O=C(CBr)c1cccc(C2CC2)c1 146335358 AMCOONRENOMFCT-UHFFFAOYSA-N 239.112 3.142 50 50 BGGA ClCCCN(CCCCl)CCCCl 5113397 RLHMHUZPTLNGAJ-UHFFFAOYSA-N 246.609 3.175 50 50 BGGA CC(C)N(C(=O)CCl)c1ccc(Cl)cc1 33607535 VFRXXMHBPOPQKB-UHFFFAOYSA-N 246.137 3.320 50 50 BGGA CCOP(OCC)O[Si](C)(C)C 170159462 ATRMOIYYLVRRBZ-UHFFFAOYSA-N 210.286 3.138 50 50 BGGA Cc1ccc(Cl)c(C(=O)Cl)c1F 2574982 NWTPJKCARLIKFP-UHFFFAOYSA-N 207.031 3.167 50 50 BGGA in-vitro Cc1cc(CBr)ccc1F 2382073 ZZGGOSDHWXCOCA-UHFFFAOYSA-N 203.054 3.029 50 50 BGGA in-vitro C=Cc1ccc(C(=O)Cl)c(Cl)c1 263624609 RXPIPOCMBLDOTN-UHFFFAOYSA-N 201.052 3.362 50 50 BGGA CN1CCC(=C(C#N)c2ccc(Cl)cc2)CC1 169795027 DHDOCFAKJMLTLT-UHFFFAOYSA-N 246.741 3.343 50 50 BGGA O=C(Cl)c1c(F)c(F)c(F)c(Cl)c1F 2585576 GNXAQPALNSLOBK-UHFFFAOYSA-N 246.974 3.275 50 50 BGGA C[C@@H](Cl)CNCCc1ccc(Cl)cc1 22016897 IMMGGYIXPZKRMM-SECBINFHSA-N 232.154 3.099 50 50 BGGA in-vitro O=Cc1ccc(Cl)c(CBr)c1 147963621 CFNWYDAJHGKDQV-UHFFFAOYSA-N 233.492 3.047 50 50 BGGA O=C(Cl)CCCCCCCC(=O)Cl 17654961 HGEVGSTXQGZPCL-UHFFFAOYSA-N 225.115 3.248 50 50 BGGA in-vitro Cl[C@H]1[C@H]2C[C@@H](c3ccccc32)[C@@H]1Cl 105196480 LSZRQYDYYAPANK-NAKRPEOUSA-N 213.107 3.486 50 50 BGGA Cl[C@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C=C[C@@H]34)[C@H]2[C@H]1Cl 254439628 XHVCLSVMXDWLKI-KMFRLLODSA-N 227.134 3.065 50 50 BGGA CCc1ccc2oc(=O)cc(CCl)c2c1 542306 PVZSYMGPRXJWAB-UHFFFAOYSA-N 222.671 3.094 50 50 BGGA biogenic,in-vitro Fc1ccc(N=C=S)cc1Br 4290330 NBSZCFBECRGGJR-UHFFFAOYSA-N 232.077 3.323 50 50 BGGA Cc1cccc(C(=O)Cl)c1Br 34241474 WBNNEUYMRSYCRP-UHFFFAOYSA-N 233.492 3.137 50 50 BGGA Cc1ccsc1C(=O)CCCCl 87021375 BHDFZLRXPWTDAJ-UHFFFAOYSA-N 202.706 3.258 50 50 BGGA C[C@@H](Cl)C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 1875366970 SCKOWFWZZGAMOZ-NRUUGDAUSA-N 249.741 3.075 50 50 BGGA C/C(C#N)=C1\CCSc2ccccc2N1 336605 XZACBHKUOCUBKE-KTKRTIGZSA-N 216.309 3.392 50 50 BGGA C=CCP(c1ccccc1)c1ccccc1 1731049 PDDYFPPQDKRJTK-UHFFFAOYSA-N 226.259 3.305 50 50 BGGA N#CSCC12CC3CC(CC(C3)C1)C2 33946079 NLEDYBLPYRKRNY-UHFFFAOYSA-N 207.342 3.417 50 50 BGGA CCOC(=O)c1cc2ccccc2nc1CCl 1404718 FYNOJJRGRJQERN-UHFFFAOYSA-N 249.697 3.150 50 50 BGGA ClCCc1ccc(CCCl)cc1 68563205 GGMHFGIZPKYWGQ-UHFFFAOYSA-N 203.112 3.249 50 50 BGGA in-vitro CSc1ccc(Cl)c(C(=O)Cl)c1 39291377 SLKCFDMANLBROD-UHFFFAOYSA-N 221.108 3.441 50 50 BGGA ClCc1ccc(Br)c(Cl)n1 238517144 USBIKEYDQFFBHX-UHFFFAOYSA-N 240.915 3.236 50 50 BGGA in-vitro O=C(Cl)Oc1ccc(OC(=O)Cl)cc1 101021187 PVSUXIJGHWZIJA-UHFFFAOYSA-N 235.022 3.162 50 50 BGGA CC(=O)[C@H](Cl)Cc1cccc(Cl)c1 2161925 DSQMQTAIPYXOIB-SNVBAGLBSA-N 217.095 3.079 50 50 BGGA O=C(Cl)c1cc2cccc(F)c2s1 263624880 UWLFVSPZJOHPBF-UHFFFAOYSA-N 214.648 3.419 50 50 BGGA O=C(Cl)/C=C/c1cccc(C(F)(F)F)c1 2545379 HGQSKTQYEWJJRZ-SNAWJCMRSA-N 234.604 3.484 50 50 BGGA N#CC(C(=O)NC1CCCCC1)=C1CCCCC1 482985 SCRSKSPJJAAQPD-UHFFFAOYSA-N 246.354 3.220 50 50 BGGA Cc1nc(C(F)(F)F)ccc1CCl 90500372 ZQKHRMBSNRCFPL-UHFFFAOYSA-N 209.598 3.148 50 50 BGGA Cc1ccc(NC(=O)OCCCl)cc1C 2167856 YKJHEDPSJCIBOX-UHFFFAOYSA-N 227.691 3.091 50 50 BGGA COc1ccc(C[C@H](C)Br)c(C)c1 3132731 FZWCPMZUOCFBRO-VIFPVBQESA-N 243.144 3.330 50 50 BGGA BrCc1ccc2cnccc2c1 35269683 XVWDNBOPLFOYDZ-UHFFFAOYSA-N 222.085 3.130 50 50 BGGA in-vitro Cc1ccc(Cl)cc1NC(=O)OCCCl 1600118 YUPIXJUDRWJLGJ-UHFFFAOYSA-N 248.109 3.436 50 50 BGGA O[C@H](c1cccc(Cl)c1)C(Cl)Cl 2012334 INLMRTPMNPOFAV-SSDOTTSWSA-N 225.502 3.177 50 50 BGGA CC(C)c1ccc(O[C@@H](C)C(=O)Cl)cc1 33433775 MYALTZDEXDDCTL-VIFPVBQESA-N 226.703 3.343 50 50 BGGA CC1=C(C#N)C(c2ccc(C)cc2)C(C#N)=C(C)N1 19594388 DTNUMOKRHCFZTI-UHFFFAOYSA-N 249.317 3.277 50 50 BGGA Cl[C@@H]1[C@@H](Cl)[C@H]2CCCC[C@H]1S2 257346564 SDXOVOPMKQQVDQ-NGJRWZKOSA-N 211.157 3.259 50 50 BGGA Clc1cccc(CBr)c1 1690005 LZIYAIRGDHSVED-UHFFFAOYSA-N 205.482 3.235 50 50 BGGA in-vitro ClCCOc1ccc(Br)cc1 2140833 VRODDNARFBDTNM-UHFFFAOYSA-N 235.508 3.067 50 50 BGGA biogenic O=C(Cl)Cc1cccc(C(F)(F)F)c1 12953099 FEVJJJQOPGZSIG-UHFFFAOYSA-N 222.593 3.013 50 50 BGGA in-vitro Cl[C@H]1C=C[C@@H](Cl)[C@@H]2[C@H](Cl)[C@@H](Cl)[C@@H]12 257346713 OWAYRJCKLCVBJA-ZDJZFTHGSA-N 245.964 3.232 50 50 BGGA O=CC1=CS[C@@H]2c3ccccc3C=C[C@H]12 335891 TWECZXHHGHCOOH-CHWSQXEVSA-N 214.289 3.200 50 50 BGGA Clc1ccc(CBr)cc1 1845936 KQNBRMUBPRGXSL-UHFFFAOYSA-N 205.482 3.235 50 50 BGGA CC1=C(C#N)C(Cc2ccccc2)C(C#N)=C(C)N1 408680 HWOHTGCZVSOFTN-UHFFFAOYSA-N 249.317 3.044 50 50 BGGA CC(=O)[C@H](Cl)Cc1ccccc1Cl 2161796 RXHBDEMLIIWNSA-SNVBAGLBSA-N 217.095 3.079 50 50 BGGA CC(C)(C)OC(=O)c1ccc(N=C=S)cc1 2507583 LXVVKZRNRVNESX-UHFFFAOYSA-N 235.308 3.376 50 50 BGGA Cc1ccc(NC(=O)[C@H](C)Cl)cc1Cl 1672722 FUXOKPDZWMHPMC-ZETCQYMHSA-N 232.110 3.214 50 50 BGGA N#CSCc1ccc(CSC#N)cc1 2163461 ZMFLUYPLYCZQDR-UHFFFAOYSA-N 220.322 3.115 50 50 BGGA C[C@@H](Cl)OC(=O)OC1CCCCC1 2525182 ONZWFHWHTYZZLM-ZETCQYMHSA-N 206.669 3.057 50 50 BGGA CCCCCC(=O)OC(=O)CCCCC 85866217 PKHMTIRCAFTBDS-UHFFFAOYSA-N 214.305 3.217 50 50 BGGA CCCCCCC[C@@H](Br)C(=O)O 100138923 MELJYLJLJXTLGX-MRVPVSSYSA-N 237.137 3.195 50 50 BGGA N#CSc1sccc1Br 4776193 VCKYJQYWLVMAJT-UHFFFAOYSA-N 220.116 3.084 50 50 BGGA Cc1cc(O[C@@H](C)C(=O)Cl)ccc1Cl 33434251 DHGCYVPQCYVUJH-ZETCQYMHSA-N 233.094 3.181 50 50 BGGA C=C(C)C[S@](=O)O[Si](CC)(CC)CC 170163403 IINRMKPFRWLCIW-CYBMUJFWSA-N 234.437 3.248 50 50 BGGA COc1cc(CCl)c(OC)cc1CCl 164108 GEUWDCJVDLHSNQ-UHFFFAOYSA-N 235.110 3.181 50 50 BGGA COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C 195918515 KTRLPYMGWJYOSH-JTQLQIEISA-N 246.423 3.206 50 50 BGGA Clc1ccccc1CBr 2034437 PURSZYWBIQIANP-UHFFFAOYSA-N 205.482 3.235 50 50 BGGA in-vitro CCC(CC)=C(C#N)C(=O)NC1CCCCC1 374887 QCKUDKXJRAZRLQ-UHFFFAOYSA-N 234.343 3.075 50 50 BGGA ClC[C@@H](Cl)C(Cl)(Cl)Cl 100111126 ZXPCCXXSNUIVNK-UWTATZPHSA-N 216.322 3.203 50 50 BGGA in-vitro CC(C)c1ccc(O[C@H](C)C(=O)Cl)cc1 33433776 MYALTZDEXDDCTL-SECBINFHSA-N 226.703 3.343 50 50 BGGA Cl[C@H](C1CCCCC1)[C@@H]1CCCCN1 96027230 OLPWQLDKSWSWEZ-NWDGAFQWSA-N 215.768 3.316 50 50 BGGA CC(C)(C)NC1=CC(=C(C#N)C#N)c2ccccc21 685944281 AZLWCAITNWZNCN-UHFFFAOYSA-N 249.317 3.230 50 50 BGGA FC(F)(F)c1nc(CBr)cs1 147940741 UTQWFYRLOKDFEI-UHFFFAOYSA-N 246.051 3.057 50 50 BGGA CC(=O)Oc1c(CCl)cc(C)cc1CCl 2528048 KUMMZJSZVNWQLZ-UHFFFAOYSA-N 247.121 3.398 50 50 BGGA Cc1sc2nc([C@H](F)Cl)nc(O)c2c1C 1616033135 MCHNRRGWVOTWNT-LURJTMIESA-N 246.694 3.221 50 50 BGGA FC(F)(F)Oc1ccccc1CCN=C=S 31829491 MVKNCMWERUKUTI-UHFFFAOYSA-N 247.241 3.231 50 50 BGGA Cc1noc(-c2ccccc2)c1C(=O)Cl 2506129 YVFYIVAJRVFJHR-UHFFFAOYSA-N 221.643 3.029 50 50 BGGA in-vitro O=Cc1ccc(OC(F)(F)[C@H](F)Cl)cc1 147214914 XSKIOFZCLKCLPM-QMMMGPOBSA-N 238.592 3.005 50 50 BGGA O=C=Nc1ccc(OCc2ccccc2)cc1 164894 HFIHSWMJFCMLJE-UHFFFAOYSA-N 225.247 3.233 50 50 BGGA in-vitro BrCc1ccccc1Br 2140799 LZSYGJNFCREHMD-UHFFFAOYSA-N 249.933 3.344 50 50 BGGA in-vitro