smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C(F)(F)F)ccc1CBr 2528363 WWAGWLZAZFSJRH-UHFFFAOYSA-N 269.060 3.609 50 50 CHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 16383010 FUXZMOLWJXJDMY-DHDCSXOGSA-N 275.267 3.531 50 50 CHGA C/C(=N\NC(N)=O)[C@]1(C)CC2=C(CCCC2(C)C)C[C@@H]1C 377470 YGNLIPKRIHPDIM-BBVKRUHISA-N 291.439 3.974 50 50 CHGA Cc1cccc2c(C(=O)Cl)cc(-c3cccnc3)nc12 40451306 ZUMBQJMNUYHBJE-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA Cc1cccc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387144 QVSGONMDHLKFLP-KRWDZBQOSA-N 299.801 3.708 50 50 CHGA O=C(c1ccccc1)c1cccc(CBr)c1 2584610 SZJQXQICJDHRJE-UHFFFAOYSA-N 275.145 3.813 50 50 CHGA in-vitro CC1(C)OC(c2ccccc2)=C/C(=C/C=C(C#N)C#N)O1 177505 MAEYNFAPKCZNQR-DHDCSXOGSA-N 278.311 3.668 50 50 CHGA Cc1ccccc1NC(=O)N/N=C/C=C/c1ccccc1 1875258931 CWEUPUXDRXAWLC-TYUKPDHWSA-N 279.343 3.816 50 50 CHGA C[C@@H]1CC(C)(C)N(C(=O)CSC#N)c2ccccc21 9939173 BUFYYHODUKCGCP-LLVKDONJSA-N 274.389 3.520 50 50 CHGA O=[N+]([O-])c1ccc(Cl)c(Cl)c1CBr 113466259 PNXFVIUEJUUQGZ-UHFFFAOYSA-N 284.924 3.797 50 50 CHGA BrCC1C2CC=CCC1C2CBr 101002684 JZTFCSCSMXJVEC-UHFFFAOYSA-N 294.030 3.605 50 50 CHGA O=C(CCl)c1cc(F)c(Cl)cc1Br 263624488 QZKZWMWLQLKDIM-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA Cc1cccc(-n2c(C)cc(C=C(C#N)C#N)c2C)c1 351333 PCAFKTMETIOXKS-UHFFFAOYSA-N 261.328 3.833 50 50 CHGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Cl 40451381 KOTKSYLMUZDZPX-QMMMGPOBSA-N 267.539 3.916 50 50 CHGA O=C(CBr)c1c(Cl)ccc(Cl)c1F 263624220 OLACFCFROVJPMB-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA O=C(CBr)c1ccc(Cl)c(Cl)c1 152659 PAKFHEFMTRCFAU-UHFFFAOYSA-N 267.937 3.571 50 50 CHGA N#CC(C(=O)NC1CCCCC1)=C1CCCCCCC1 1459487 OKCJAPSFIWNKAZ-UHFFFAOYSA-N 274.408 4.000 50 50 CHGA CS[C@]1(CO[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]1CC2=O 169829366 VEWZHFQFUIBMSB-HUBLWGQQSA-N 298.524 3.885 50 50 CHGA N#CC(C(=O)NCc1ccccc1)=C1CCCCCCC1 6885164 PRFPPMIGHKWMNO-UHFFFAOYSA-N 282.387 3.867 50 50 CHGA O=C(CSCc1ccccc1)N/N=C/C1CCCCC1 253470573 IHBHQABKEYHDFY-GZTJUZNOSA-N 290.432 3.602 50 50 CHGA COc1cccc(CBr)c1C(F)(F)F 91252076 SVMDPLGEPZKCEL-UHFFFAOYSA-N 269.060 3.609 50 50 CHGA in-vitro C[C@H](Cl)C(=O)NC(c1cccs1)c1cccs1 1875363762 YFFXHPAAEDAQQY-QMMMGPOBSA-N 285.821 3.643 50 50 CHGA O=C(Cl)c1cc(Cl)c(F)cc1Br 263625166 XICJIRFVACPVFF-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CC(C)c1ccc(NC(=O)[C@H](C)Br)cc1 41717073 OVXCRBPUWQANNN-VIFPVBQESA-N 270.170 3.532 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)c2cccs2)cc1 228135 TUDJYZHNMQJILC-MHWRWJLKSA-N 272.373 3.635 50 50 CHGA Fc1cc(Br)ccc1CCCBr 60712611 VXTDJSZETOWXRX-UHFFFAOYSA-N 295.977 3.916 50 50 CHGA in-vitro C[C@@H](Cl)C(=O)N(Cc1ccoc1)C1CCCCC1 1875364101 INZCUAHBAOPUIS-LLVKDONJSA-N 269.772 3.568 50 50 CHGA N=P(c1ccccc1)(c1ccccc1)c1ccccc1 59235618 DHOUOTPZYIKUDF-UHFFFAOYSA-N 277.307 3.743 50 50 CHGA COC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1 5660063 FDZOJAHXJKNRMS-UVTDQMKNSA-N 279.295 3.559 50 50 CHGA Cn1c(C=C(C#N)C#N)ccc1Sc1ccccc1 2532405 YLKJCRLCHXYLFG-UHFFFAOYSA-N 265.341 3.607 50 50 CHGA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CBr)O2 141111579 GCVRLXNOARFTDF-CQSZACIVSA-N 299.208 3.796 50 50 CHGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 105213566 GOOORYDGQVACNL-OTPMKWMYSA-N 295.386 3.710 50 50 CHGA COc1cccc(/C(C#N)=C/c2ccc(N(C)C)cc2)c1 401150 BZUZDZZKZGWRGD-LFIBNONCSA-N 278.355 3.825 50 50 CHGA Nc1nc(C(Cl)Cl)nc2sc3c(c12)CCCC3 100288616 JNBATZXQXSSLCT-UHFFFAOYSA-N 288.203 3.629 50 50 CHGA CC(C)(C)C1=CC(=O)[C@@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 1763050 JSACLUOJBWRMBY-FZMZJTMJSA-N 291.218 3.742 50 50 CHGA O=C(CCl)N1c2ccccc2CCc2ccccc21 308564 TXCPQCCKJNJBJU-UHFFFAOYSA-N 271.747 3.689 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)C1[C@@H]2CCCC[C@@H]12 100003733 PEJCEQQOXZKVLJ-MHENUPEQSA-N 292.382 3.726 50 50 CHGA COc1cccc(C(=O)Cl)c1OCc1ccccc1F 40451450 CWVZWEHPZJHEEU-UHFFFAOYSA-N 294.709 3.792 50 50 CHGA C[Si](C)(C)/N=C(\O[Si](C)(C)C)C(F)(F)F 169879183 XCOBLONWWXQEBS-GHXNOFRVSA-N 257.404 3.634 50 50 CHGA COc1ccc(/C(C#N)=C/c2ccccc2)cc1OC 438350 FXBALPNGWRQTOL-XNTDXEJSSA-N 265.312 3.768 50 50 CHGA C[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl 3257949 PSIZZOYREZKCCO-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl 33435438 IBENOOQTUVKWRF-RXMQYKEDSA-N 253.512 3.526 50 50 CHGA ClC(Cl)[C@@H](Cl)[C@H](Cl)C(Cl)Cl 100969275 SFLXALQSXXPXLU-LWMBPPNESA-N 264.794 3.809 50 50 CHGA [C-]#[N+][C@@H](c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 100192430 LQZNUAYEVVHGQW-OAHLLOKOSA-N 289.331 3.526 50 50 CHGA Br[C@@H]1CCc2ccccc2[C@H]1Br 101016572 LDIQOSRBJPAHHX-NXEZZACHSA-N 289.998 3.832 50 50 CHGA Cc1cc(C(=O)Nc2ccc(SC#N)cc2)c(C)o1 9764035 KAOSXXLCKCDHMK-UHFFFAOYSA-N 272.329 3.722 50 50 CHGA Fc1cccc(CBr)c1CBr 100031533 RFGAFUSDCBRIFT-UHFFFAOYSA-N 281.950 3.616 50 50 CHGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(C2CC2)cs1 4020328 BYXAYZLZNZLKQM-KPKJPENVSA-N 297.339 3.993 50 50 CHGA C[C@@H]1CC(C)(C)N(C(=O)CCl)c2ccccc21 308554 YPFUVGDVQKAHTE-SNVBAGLBSA-N 251.757 3.544 50 50 CHGA C[C@H](Cl)OC(=O)OCc1ccc(C(F)(F)F)cc1 263620200 WNGOWSCYCMJYEE-SSDOTTSWSA-N 282.645 3.943 50 50 CHGA BrCCCOc1ccc(Br)cc1 1599501 SBXHUNUKIBIOEC-UHFFFAOYSA-N 293.986 3.613 50 50 CHGA O=C(Cl)c1cc(Br)cc(C(F)(F)F)c1 72265790 JZCPDNRBSHJNMG-UHFFFAOYSA-N 287.462 3.847 50 50 CHGA N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1 446196 USQDQWJGTHFFJW-KPKJPENVSA-N 298.729 3.591 50 50 CHGA N#CC(C#N)=Cc1cc(-c2ccccc2)nn1-c1ccccc1 190158 UGWASKIGZRIKPS-UHFFFAOYSA-N 296.333 3.970 50 50 CHGA CCC[C@@H]1[C@@H]2C[C@H](CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954618 QPROQTLXKBZWIF-XNRPHZJLSA-N 294.402 3.549 50 50 CHGA O=C1ON=C(CCl)/C1=C\c1ccc(-c2ccccc2)cc1 34926726 PLPYHLURKPXZOF-XNTDXEJSSA-N 297.741 3.889 50 50 CHGA Fc1ccc(Br)c(CBr)c1F 238615858 XQOCUAMBAPDZOL-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA CCC[C@H](C)C[C@H](C)/C=C(\C)C[C@H]1CC(=O)OC1=O 257373235 RYDRJNGBRZDNMR-OTSPLWENSA-N 266.381 3.875 50 50 CHGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1 4372528 MCKKEQHMPIOLLY-LLVKDONJSA-N 294.782 3.544 50 50 CHGA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl 40451369 QCQPLNNBTMZBAE-MRVPVSSYSA-N 267.539 3.916 50 50 CHGA C[C@@H](Cl)C(=O)Nc1ccc2nc(C3CC3)sc2c1 1875364801 UPCUVSGGWOMDJK-SSDOTTSWSA-N 280.780 3.740 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CC=C[S@@]2=O 169835980 RXHSIINQQBLLBW-MRRJBJDNSA-N 286.513 3.966 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CCC(=O)O2 169836769 GUDITXHONUOLMK-BXUZGUMPSA-N 270.445 3.637 50 50 CHGA C[C@@H](C(=O)OC(=O)[C@H](C)c1ccccc1)c1ccccc1 100541971 XXVXJBZRUDZPSL-ZIAGYGMSSA-N 282.339 3.664 50 50 CHGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1 228363 GBOVFSNPNJNTQN-LICLKQGHSA-N 290.750 3.704 50 50 CHGA O=C(CCCl)N[C@H](Cc1ccccc1)c1ccccc1 2159916 GTRBEDTWVOHQDH-MRXNPFEDSA-N 287.790 3.716 50 50 CHGA C[C@H](NC(=O)/C(C#N)=C\c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 254521409 CKZLWYYYRWKWSJ-WZHCCYIZSA-N 294.398 3.534 50 50 CHGA Cc1cc(C)c2c(/N=C/N(C)C)c(/C=C/C#N)sc2n1 4052672 WOZKLBMYYBNGIH-ZUZMZGHOSA-N 284.388 3.671 50 50 CHGA COc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OC 12393069 GCKAJGCUMSTLKP-ZSOIEALJSA-N 283.302 3.907 50 50 CHGA CC(C)(C)[Si](C)(C)OCCCBr 169743531 QGMROEZDWJTIDW-UHFFFAOYSA-N 253.256 3.793 50 50 CHGA COc1cccc(/C=C(\C#N)c2ccccc2)c1OC 2518829 ZMBHVSJDRORNSL-RVDMUPIBSA-N 265.312 3.768 50 50 CHGA N#C/C(=C/c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 2860823 QREHJHRUOKCJKS-QPEQYQDCSA-N 288.306 3.961 50 50 CHGA O=P(Oc1ccccc1)(c1ccccc1)c1ccccc1 275478 CIJWIJSYZZLMGD-UHFFFAOYSA-N 294.290 3.995 50 50 CHGA biogenic CC(/C=N/NC(=O)c1ccccc1)=C\c1ccccc1 12362148 FDOQSNHPSDNSSO-FBRLRESOSA-N 264.328 3.506 50 50 CHGA O=C(Nc1ccccc1/C=C/C(F)(F)F)[C@H](F)Cl 2325897659 COCQPYKPSFXYLY-CYNONHLPSA-N 281.636 3.735 50 50 CHGA CCc1cc(Br)ccc1CBr 116580563 ZZTXSTDMMAAYCJ-UHFFFAOYSA-N 277.987 3.906 50 50 CHGA O=C(c1c(Cl)cccc1Cl)C(Cl)Cl 4105309 AQQDUAHWJYDXIZ-UHFFFAOYSA-N 257.931 3.980 50 50 CHGA CC(=O)c1ccccc1NC(=O)[C@H](Cl)c1ccccc1 336595 LSTJHAYXXUGICP-OAHLLOKOSA-N 287.746 3.808 50 50 CHGA Cc1ccc2[nH]c(/C(C#N)=C\[C@H]3C[C@H]4C=C[C@H]3C4)nc2c1 100139857 ZKASZTPBMXNUTO-WMXRIDLZSA-N 275.355 3.991 50 50 CHGA N#C[C@@H](c1ccccc1)N(C(=O)CCCl)c1ccccc1 2027540 OPJZMDBJVNGBNX-INIZCTEOSA-N 298.773 3.913 50 50 CHGA Cc1ccc2nc(-c3ccncc3)cc(C(=O)Cl)c2c1 40451297 WUZOXDGDOCQTFG-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA O=C(Cl)c1ccc(OCc2cccc(F)c2)cc1 40451502 YZEKOJOJCQVLHT-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA CC(C)COc1ccc(C(=O)[C@H](C)Br)cc1 82586583 LTNSLWFXCOVLLX-JTQLQIEISA-N 285.181 3.688 50 50 CHGA O=C(NN=C1C2CC3CC(C2)CC1C3)Nc1ccccc1 4529829 JWCOWQIJJTUSLZ-UHFFFAOYSA-N 283.375 3.620 50 50 CHGA Cc1c(CBr)cccc1C(F)(F)F 2382316 YSABBOPLIUMXKY-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA in-vitro C/C(=N/NC(=O)c1cccc(Cl)c1)c1cccs1 12342908 MDLXHMVCWLLFLT-DHDCSXOGSA-N 278.764 3.556 50 50 CHGA CC[C@H](Br)C(=O)Nc1ccc(C)c(Cl)c1 266493 MZLZUGVCVSLWEL-VIFPVBQESA-N 290.588 3.760 50 50 CHGA N#C/C(=C\c1cn(-c2ccccc2)c2ccccc12)C(=O)O 33953893 BIZNHCWFGNKBBZ-JLHYYAGUSA-N 288.306 3.622 50 50 CHGA in-vitro N#C/C(=C\c1ccc(Br)cc1)c1ccccn1 4547662 GJCKHMVIULODLW-FMIVXFBMSA-N 285.144 3.908 50 50 CHGA O=C(CCCCl)NCC1(c2ccccc2)CCCC1 2027529 LIAZVOWVBXXADT-UHFFFAOYSA-N 279.811 3.634 50 50 CHGA Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(N(C)C)cc1 241537 ZXRSZDHJOLPNSP-UHFFFAOYSA-N 290.370 3.591 50 50 CHGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)s2)cs1 2743808 GJAIKHJFVYOHGX-WLRTZDKTSA-N 284.793 3.535 50 50 CHGA CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])cc1 195791011 AQPYYGDGBSMJJI-UHFFFAOYSA-N 253.374 3.979 50 50 CHGA Cc1cc(C(=O)CBr)cc(Cl)c1Cl 263623351 GSSOXWVDYPRPDT-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA O=[N+]([O-])c1ccc(CBr)c2ccccc12 39278612 SJOQNSWOKVTGMG-UHFFFAOYSA-N 266.094 3.643 50 50 CHGA CC/C(Cc1ccccc1)=N/NC(=O)Cc1ccc(C)cc1 220983114 ZQLJDEJQAINUAO-ZZEZOPTASA-N 294.398 3.662 50 50 CHGA ClCc1ccnc(-c2cc(CCl)ccn2)c1 100008891 VZKSOWFFOHQARA-UHFFFAOYSA-N 253.132 3.621 50 50 CHGA in-vitro C[C@H](Cl)C(=O)Nc1ccc2nc(C3CC3)sc2c1 1875364802 UPCUVSGGWOMDJK-ZETCQYMHSA-N 280.780 3.740 50 50 CHGA Cc1ccccc1N(C)C(=O)[C@@H](Cl)c1ccccc1 4760483 KETNFRHXQNZVNO-HNNXBMFYSA-N 273.763 3.938 50 50 CHGA S=C=Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 2536597 TXWXMCANOKABKB-UHFFFAOYSA-N 284.171 3.973 50 50 CHGA ClCc1nc(C2(c3ccc(Cl)cc3)CC2)no1 95081426 NYJZGVZGPYKVGQ-UHFFFAOYSA-N 269.131 3.542 50 50 CHGA in-vitro CC(C)(C)c1ccc(/C=N/NC(=O)c2cccs2)cc1 228073 KTJJOLNWDBVQJD-GZTJUZNOSA-N 286.400 3.810 50 50 CHGA O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H](F)Cl 2325898692 VFLUTHRYRHUTCA-GFCCVEGCSA-N 299.729 3.591 50 50 CHGA N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccco1 201754 SDVGEZOOECNJRR-ZDUSSCGKSA-N 294.335 3.712 50 50 CHGA aggregator COc1ccc(/C=C(\C#N)c2ccccc2)c(OC)c1 621718 WOQZAGAVIJFVDX-XNTDXEJSSA-N 265.312 3.768 50 50 CHGA COc1cccc([C@H](Br)CBr)c1 101364532 WCXVMWVYEAZPJW-SECBINFHSA-N 293.986 3.526 50 50 CHGA N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1 128217 JTINQIRXDYENHE-UHFFFAOYSA-N 296.333 3.970 50 50 CHGA O=C(O)c1ccccc1SC(F)(F)[C@H](F)Cl 2163664 LMLDHWKPMRYAPE-QMMMGPOBSA-N 270.659 3.604 50 50 CHGA Br[C@H]1CCc2ccccc2[C@H]1Br 2170677 LDIQOSRBJPAHHX-VHSXEESVSA-N 289.998 3.832 50 50 CHGA O=C(Cl)c1c(C(F)(F)F)ccc(Cl)c1F 2574958 QRJJXSXDJDIRPI-UHFFFAOYSA-N 261.001 3.877 50 50 CHGA ClCC(Cl)(Cl)C(Cl)(Cl)CCl 2039426 FSRFCQHSPWVMPZ-UHFFFAOYSA-N 264.794 3.812 50 50 CHGA O=P(c1cccs1)(c1cccs1)c1cccs1 8021731 OKBJXDNWMXROFT-UHFFFAOYSA-N 296.378 3.511 50 50 CHGA CCC[C@H](C)C[C@@H](C)/C=C(\C)C[C@@H]1CC(=O)OC1=O 108961734 RYDRJNGBRZDNMR-IJJYDZAQSA-N 266.381 3.875 50 50 CHGA CC(C)[C@@H]1CC[C@]2(C)C[C@H](Br)C(=O)C[C@@H]12 71786631 IVZROOBBCNNYGU-MRBYEJRBSA-N 273.214 3.801 50 50 CHGA Cc1ccc2nc(-c3ccccn3)cc(C(=O)Cl)c2c1 40451311 MUTTZCSYHXTXNY-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 296447 XFDSKWJJZDYBBF-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA C[C@@H](Br)C(=O)Nc1cc(Cl)cc(Cl)c1 82238052 RVGYVOMJXYSEEX-RXMQYKEDSA-N 296.979 3.715 50 50 CHGA N#C/C(=C/c1cn(-c2ccccc2)c2ccccc12)C(=O)O 83325796 BIZNHCWFGNKBBZ-RAXLEYEMSA-N 288.306 3.622 50 50 CHGA Cc1cc(CBr)cc(CBr)c1 164079 AKDWRXXKHRUFMS-UHFFFAOYSA-N 277.987 3.785 50 50 CHGA COc1cc2c(cc1/C=C(/C#N)c1cccc(C)c1)OCO2 4867763 BZAVYDWEOWEXJC-CHHVJCJISA-N 293.322 3.797 50 50 CHGA CCOC(=O)N[C@@H](c1ccc(Cl)cc1)C(Cl)Cl 4957897 CWOZPHQKPKPKCC-VIFPVBQESA-N 296.581 3.931 50 50 CHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1cccnc1 223956 DYWJBZYZVVSBQZ-UHFFFAOYSA-N 293.370 3.525 50 50 CHGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Br 39046031 RNCGMTRWXSQKME-WISYIIOYSA-N 291.229 3.774 50 50 CHGA Cc1ccn2c(Br)c(C(Cl)Cl)nc2c1 97971803 UOEMGGABFAJHTG-UHFFFAOYSA-N 293.979 3.881 50 50 CHGA in-vitro COc1ccccc1/C=C(/C#N)c1nc2ccccc2[nH]1 16667624 IILGBLKLVZVLMJ-RAXLEYEMSA-N 275.311 3.636 50 50 CHGA CSC1=NC(CCl)=C(Sc2ccccc2)CN1 332452 POUDLPJAPDJPKX-UHFFFAOYSA-N 284.837 3.551 50 50 CHGA O=C(Nc1ccc2[nH]c3c(c2c1)CCCCC3)[C@@H](F)Cl 2325901659 RARDOWPJYLQHAW-CQSZACIVSA-N 294.757 3.910 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CC=C[S@]2=O 169835986 RXHSIINQQBLLBW-HACGYAERSA-N 286.513 3.966 50 50 CHGA Clc1ccc(-c2cc(CBr)on2)cc1 2037311 YGCXXYLQISERCR-UHFFFAOYSA-N 272.529 3.890 50 50 CHGA in-vitro C/C(=C\[C@H](C)C[C@H](C)CC(C)C)[C@@H]1CC(=O)OC1=O 38141457 WBRBLKRDTHYRRV-GTCDUDFRSA-N 266.381 3.731 50 50 CHGA C/C(=N\NC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 12343254 DMHRTVHWANXHKG-LZYBPNLTSA-N 297.141 3.740 50 50 CHGA COc1ccc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 1724548 HHUPEXFDDAOPGQ-NTEUORMPSA-N 280.283 3.668 50 50 CHGA O=C(Cl)c1cc(C2CC2)ccc1Br 263625002 VXYQONNVIMNNCE-UHFFFAOYSA-N 259.530 3.706 50 50 CHGA O=C(Cl)c1cc(Cl)c(Cl)cc1OC(F)F 263623570 IPABOMRECFPIEZ-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA Cc1nc2c(NC(=O)[C@H](F)Cl)c(Cl)ccc2s1 2325901678 SPTKBSIJMPBCGK-VIFPVBQESA-N 293.150 3.731 50 50 CHGA C[C@H]1CC(C)(C)N(C(=O)CCl)c2ccccc21 308551 YPFUVGDVQKAHTE-JTQLQIEISA-N 251.757 3.544 50 50 CHGA CCNC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 732098 WIIRXDHPWWXOSB-RVDMUPIBSA-N 292.338 3.522 50 50 CHGA COc1cc2sc(C(=O)Cl)c(Cl)c2cc1OC 57715337 FPOJTIOYSDDNKZ-UHFFFAOYSA-N 291.155 3.951 50 50 CHGA ClCC1=NC[C@@H](c2ccccc2)c2ccccc21 35287533 BISZUZSNQOOGOJ-HNNXBMFYSA-N 255.748 3.860 50 50 CHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)cc1 245226847 OJELTWDIHHRBQK-FHVBXRPFSA-N 290.794 3.616 50 50 CHGA COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@H](Cl)[C@H]12 254288747 VREJDJQVXUVOSX-JQCYMSOVSA-N 281.182 3.907 50 50 CHGA CCOc1ccc(NC(=O)C(C#N)=C2CCCCC2)cc1 127289 YAOFRDVIEXCKNG-UHFFFAOYSA-N 284.359 3.808 50 50 CHGA Cc1cccc(/C(C#N)=C\c2ccc(C(=O)O)cc2)c1 4850625 PQMMFRKWHIMTGU-YBEGLDIGSA-N 263.296 3.757 50 50 CHGA CCCCCCCCCCCCc1ccc(B(O)O)cc1 196352182 KCHSXQBUASGIPS-UHFFFAOYSA-N 290.256 3.830 50 50 CHGA C[Si](C)(C)P(c1ccccc1)c1ccccc1 169876403 WTWVGNUJAAOVSC-UHFFFAOYSA-N 258.377 3.954 50 50 CHGA in-vitro Cc1noc(-c2ccccc2)c1CBr 158941 KCGVZUOBUPWFJC-UHFFFAOYSA-N 252.111 3.545 50 50 CHGA in-vitro CCc1cccc(C)c1NC(=O)[C@H](Br)CC 32919699 FQEYEYMDNNCHGH-LLVKDONJSA-N 284.197 3.669 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 252320674 KUCIEBARWOMZNS-OUQRXAQVSA-N 284.403 3.696 50 50 CHGA ClCc1nn(Cc2ccccc2)c2ccccc12 90500510 WUUJVTQUZJCUSE-UHFFFAOYSA-N 256.736 3.823 50 50 CHGA in-vitro Cc1ccccc1/C(C#N)=C/c1ccc2c(c1)OCO2 401143 FXXFTZJUBJTBRE-RIYZIHGNSA-N 263.296 3.788 50 50 CHGA O=C(Nc1ccc(Cl)c(Cl)c1)C(Cl)Cl 1738579 KKFIMUBSUMZFNB-UHFFFAOYSA-N 272.946 3.736 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)/N=C1/O[C@@H](CCl)CS1 245312627 WOZMOUDIKWPRNW-NARUVKQGSA-N 287.856 3.928 50 50 CHGA BrCCCCCOCc1ccccc1 2392144 HGUZJKJSYSSVLK-UHFFFAOYSA-N 257.171 3.768 50 50 CHGA in-vitro C/C(=N\NC(=O)c1cccs1)c1ccc(Cl)cc1 4550897 RUWOYSVYFXHIJQ-OQLLNIDSSA-N 278.764 3.556 50 50 CHGA ClCc1cc(Br)ccc1Br 59566195 VUPAXZAOBJZEGA-UHFFFAOYSA-N 284.378 3.950 50 50 CHGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 1875364583 OUNLGHYMMZFCCH-NSHDSACASA-N 299.761 3.591 50 50 CHGA N#C/C(=C\c1ccccc1Br)c1ccccn1 4547676 YMDIKJAUIMSUCY-FMIVXFBMSA-N 285.144 3.908 50 50 CHGA CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(=O)C1CCCC1 170609257 DASSSPDCTLLELF-OCWYSPMKSA-N 264.413 3.741 50 50 CHGA N#C/C(=C/c1ccc2c(c1)OCO2)c1ccccc1F 5028056 VKCQKXRMYWTFCQ-GHXNOFRVSA-N 267.259 3.619 50 50 CHGA COc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1 5126297 IIHIUZKFBWYACL-GXDHUFHOSA-N 289.338 3.944 50 50 CHGA Cc1c(C(=O)CBr)sc2ccccc12 162028 PIQSJBQPXDKSHF-UHFFFAOYSA-N 269.163 3.787 50 50 CHGA in-vitro Cc1nc2c(NC(=O)[C@@H](F)Cl)c(Cl)ccc2s1 2325901677 SPTKBSIJMPBCGK-SECBINFHSA-N 293.150 3.731 50 50 CHGA CCCCOCP(=O)(c1ccccc1)c1ccccc1 59824149 VJAGTZGDTMBBAG-UHFFFAOYSA-N 288.327 3.775 50 50 CHGA C[C@H]1CCN(C(=O)CCl)c2cc(Cl)ccc2S1 1336910764 BMBRSIUELSEGIE-QMMMGPOBSA-N 290.215 3.796 50 50 CHGA Cc1ccc2[nH]c(/C(C#N)=C\[C@@H]3C[C@H]4C=C[C@H]3C4)nc2c1 100139855 ZKASZTPBMXNUTO-PYPFXAAZSA-N 275.355 3.991 50 50 CHGA CSC(SC)=C(C#N)c1ccc([N+](=O)[O-])cc1 4323865 YACWILKTPVROSZ-UHFFFAOYSA-N 266.347 3.513 50 50 CHGA N#CC(C#N)=Cc1ccc(COc2ccc(Cl)cc2)o1 2766568 URYUTYZQGHUTBG-UHFFFAOYSA-N 284.702 3.943 50 50 CHGA CN(CCCl)C(c1ccccc1)c1ccccc1 96026336 KKZUFROFKGBKKV-UHFFFAOYSA-N 259.780 3.947 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1 2704688 XUUIGFJJZXCQIH-GZTJUZNOSA-N 286.400 3.564 50 50 CHGA CCOc1ccc(-c2nc(CCl)c(C)o2)cc1 3913640 MKQGEIDJLCDZOB-UHFFFAOYSA-N 251.713 3.788 50 50 CHGA COc1cc(C)c(Br)c(CBr)c1 38439718 XBEAMDITEJRHPE-UHFFFAOYSA-N 293.986 3.661 50 50 CHGA O=C(CCCl)N(c1ccccc1)c1ccccc1 33431946 RZSJRNOPOVKTCM-UHFFFAOYSA-N 259.736 3.980 50 50 CHGA CCC[C@@H]1[C@H](C(C)=NNC(N)=O)C1(CCC)CCC 252383402 YUXVMBQTOSZKNO-OLZOCXBDSA-N 267.417 3.663 50 50 CHGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1CCC=CCCC1 219191163 FJMMADPCDJNXAH-ZDUSSCGKSA-N 291.303 3.999 50 50 CHGA in-vitro C[C@@H](Cl)C(=O)N(c1ccccc1)c1ccccc1 34403839 BWNUNGKNWBDEHB-GFCCVEGCSA-N 259.736 3.979 50 50 CHGA Oc1ccc(SSc2ccc(O)cc2)cc1 281112 XGKGITBBMXTKTE-UHFFFAOYSA-N 250.344 3.897 50 50 CHGA in-vitro O=C(Cl)c1cc(Cl)c(Cl)c(OC(F)F)c1 263623018 CWDIQPRPMBTLON-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(=O)C1CCCC1 170609254 DASSSPDCTLLELF-TVLZRCRESA-N 264.413 3.741 50 50 CHGA CCCCCCC[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 253470656 VNXSTQCUNXAJPQ-ZDUSSCGKSA-N 286.375 3.923 50 50 CHGA C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 585145836 CKZLWYYYRWKWSJ-NHUJRDAYSA-N 294.398 3.534 50 50 CHGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1F 3239515 PNIZVOZMPBNAPI-MDWFKHSNSA-N 282.318 3.645 50 50 CHGA CC1=CC[C@]23CCCCC[C@@]2(C1)CS(=O)(=O)[C@@H]3Cl 45072024 RFORAPGFPZYQCW-MJBXVCDLSA-N 288.840 3.657 50 50 CHGA N#C/C(=C/c1cccs1)c1ccc([N+](=O)[O-])cc1 260299 YSDXNFQTTIANHO-FLIBITNWSA-N 256.286 3.720 50 50 CHGA CCN(CCCl)Cc1ccccc1Br 57986448 SDJLVPMBBFRBLL-UHFFFAOYSA-N 276.605 3.510 50 50 CHGA in-vitro COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CCl 308549 URNUWVIPNDXJGL-JTQLQIEISA-N 281.783 3.553 50 50 CHGA C[C@@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl 3319096 COULVMXYHFANBM-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA CC[C@H](Br)C(=O)N(CC)c1cccc(C)c1 32919724 GGMWSELHDMGTAY-LBPRGKRZSA-N 284.197 3.521 50 50 CHGA CCC[C@@H](I)CC(F)(F)F 64370162 QFRQARUUKDNGBD-RXMQYKEDSA-N 266.044 3.543 50 50 CHGA in-vitro C=CCC/C(C)=N\NC(=O)c1cccc(Br)c1 4117785 OIXYYXHVCRMIAN-GDNBJRDFSA-N 295.180 3.521 50 50 CHGA O=C(N/N=C/c1ccccc1Cl)c1cccc(Cl)c1 298038 HKQRTOZTYULVGC-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA O=C(CBr)c1c(F)cc(Cl)cc1Cl 263622860 BMRLBHAPJOOWER-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA O=C(Cl)c1c(F)cc(Cl)cc1Br 263624754 TXXVTZUHSKWTHO-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA C[C@@H](Cl)C(=O)Nc1cccc(Cl)c1Cl 3281084 SXPVBALYORNQSR-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA O=C(Cl)c1cc2cc(Br)ccc2o1 4277335 FGPAEHRRVKLUHA-UHFFFAOYSA-N 259.486 3.574 50 50 CHGA CCOc1ccccc1-c1ccc(C=C(C#N)C#N)o1 4541838 UVARBDBTFVFUTE-UHFFFAOYSA-N 264.284 3.776 50 50 CHGA C/C(=N\NC(N)=O)[C@@]1(C)CC2=C(CCCC2(C)C)C[C@H]1C 5003893 YGNLIPKRIHPDIM-FERPRBIQSA-N 291.439 3.974 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1ccccc1F 40451536 CPUSPEJOKOCVFC-UHFFFAOYSA-N 294.709 3.792 50 50 CHGA CCC[C@@H]1[C@@H](C(C)=NNC(N)=O)C1(CCC)CCC 252383401 YUXVMBQTOSZKNO-CHWSQXEVSA-N 267.417 3.663 50 50 CHGA O=C(CCl)OC(c1ccccc1)c1ccccc1 167673453 PZHAYLDNAVHZCP-UHFFFAOYSA-N 260.720 3.558 50 50 CHGA N#CC1=C(NC2=CC(=O)CCC2)S[C@@H]2CCCCC[C@H]12 8643142 RSHLGBJZAINWFA-UKRRQHHQSA-N 288.416 3.644 50 50 CHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cl 40451291 IWZFTCOTMJBHFC-LLVKDONJSA-N 260.720 3.886 50 50 CHGA COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 151184 FJBBWHCHJAMHGD-GXDHUFHOSA-N 280.283 3.668 50 50 CHGA C[C@H](C(=O)OC(=O)[C@@H](C)c1ccccc1)c1ccccc1 80722903 XXVXJBZRUDZPSL-KBPBESRZSA-N 282.339 3.664 50 50 CHGA O=C(Cl)c1cc(F)c(Cl)cc1Br 263623627 JECANNDBCZFBOS-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1ccccc1C 40451473 LMXAWOGJURSJNB-UHFFFAOYSA-N 290.746 3.962 50 50 CHGA O=C(Cl)c1sc(C(=O)Cl)c(Cl)c1Cl 101019776 URRYDCMFOAUXHG-UHFFFAOYSA-N 277.943 3.813 50 50 CHGA CCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1 369509 JDNPMSMNSNOWTL-GIJQJNRQSA-N 297.383 3.556 50 50 CHGA CC1(C)CC[P@+](C)(c2ccccc2)c2ccccc21 100696765 GHEYNHYQYGWROH-LJQANCHMSA-N 269.348 3.966 50 50 CHGA Fc1ccccc1C1(c2noc(CCl)n2)CCCC1 526056070 OPUABVIDDODRDA-UHFFFAOYSA-N 280.730 3.808 50 50 CHGA O=C(CCCl)Nc1ccc(Cl)cc1C(F)(F)F 19277057 MHOIHCSSHTXOHX-UHFFFAOYSA-N 286.080 3.926 50 50 CHGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)s1 5019819 PHWWJGGCZGGIMG-WOJGMQOQSA-N 297.383 3.692 50 50 CHGA COC(=O)c1cc(Cc2ccccc2)sc1N=C=S 2537453 UPUGJYHYPFQXMG-UHFFFAOYSA-N 289.381 3.860 50 50 CHGA Cc1cc(N2CCCCCC2)ccc1NC(=O)CCl 1875377547 GTZONLLOJLHSHJ-UHFFFAOYSA-N 280.799 3.553 50 50 CHGA ClC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 342748 MTGKBVQFXBOSCH-HNNXBMFYSA-N 274.747 3.542 50 50 CHGA Cc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)o1 259507 ZMFHEUNIYVFZFB-FRKPEAEDSA-N 297.141 3.659 50 50 CHGA C/C(CCc1ccccc1)=N/NC(=O)Nc1ccccc1 12342876 QKLDIBOZNGUGHL-RGEXLXHISA-N 281.359 3.817 50 50 CHGA CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)CC#N 201324226 MBZKDLVMZGJBTA-UHFFFAOYSA-N 255.434 3.517 50 50 CHGA ClCc1nc(C(c2ccccc2)c2ccccc2)no1 6222831 QACSGRVQPYUCJT-UHFFFAOYSA-N 284.746 3.989 50 50 CHGA CC(C)(CCl)C(=O)Nc1ccc(C(F)(F)F)cc1 3104468 QCQZFHOGRCQNIH-UHFFFAOYSA-N 279.689 3.909 50 50 CHGA in-vivo BrCCc1ccccc1CCBr 97977008 CMBILWTXEXMRBX-UHFFFAOYSA-N 292.014 3.561 50 50 CHGA CC(C)(C)[Si](C)(C)Oc1cccc([N+](=O)[O-])c1 195938409 MCSGRWOMRNBFLE-UHFFFAOYSA-N 253.374 3.979 50 50 CHGA Cc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1 4262761 KTPSVTDRVNXDSR-GXDHUFHOSA-N 259.312 3.936 50 50 CHGA COc1ccc(/C=C(/C#N)c2ccccc2F)c(OC)c1 12393004 UQQXFEIPCRNEAU-LCYFTJDESA-N 283.302 3.907 50 50 CHGA O=C(Cl)c1ccc(Br)c(C(F)(F)F)c1 16159882 SMHDYUSXHFGSOR-UHFFFAOYSA-N 287.462 3.847 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 43135 BLOQCELCRSCRAK-RVDMUPIBSA-N 293.326 3.725 50 50 CHGA Cc1cc(C)cc(-n2c(CCl)nc3ccccc3c2=O)c1 5277023 GXARPXKXAUAAOE-UHFFFAOYSA-N 298.773 3.741 50 50 CHGA O=C(Nc1cccc2c1ccn2C(F)F)[C@H](F)Cl 2325898219 XJNZUWCNLTWDKC-VIFPVBQESA-N 276.645 3.509 50 50 CHGA O=C(N/N=C\c1ccccc1Cl)c1ccc(Cl)s1 4645990 MQCOWVDNXYVPAR-CHHVJCJISA-N 299.182 3.819 50 50 CHGA Oc1cc(CCl)nc(-c2ccccc2C(F)(F)F)n1 526055874 PTABORFMDMUUPW-UHFFFAOYSA-N 288.656 3.607 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)c2cccc(F)c2)cc1 401151 BXRRXWLGBINIFJ-XNTDXEJSSA-N 266.319 3.956 50 50 CHGA BrCCc1ccccc1CBr 330170 FWYHRXVCIWHPMO-UHFFFAOYSA-N 277.987 3.519 50 50 CHGA C[C@H](Br)c1ccc(Br)cc1 57368678 QQIOJAHQDFJQSJ-LURJTMIESA-N 263.960 3.905 50 50 CHGA CC(C)(C)[Si](C)(C)OCc1cc2ncc(CO)cc2o1 169794229 FABMDYUQZRCJAN-UHFFFAOYSA-N 293.439 3.842 50 50 CHGA in-vitro CC(C)CCOC(=O)[C@H](Br)c1ccccc1 1635616 CKPGTYLPMYKUDW-GFCCVEGCSA-N 285.181 3.712 50 50 CHGA COc1ccccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 16667502 GQVAZNSINIZADW-UVTDQMKNSA-N 289.338 3.944 50 50 CHGA Cc1ccccc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12 62482 OTSXMPWDHMRHSX-YBFXNURJSA-N 291.354 3.549 50 50 CHGA O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H](F)Cl 2325898693 VFLUTHRYRHUTCA-LBPRGKRZSA-N 299.729 3.591 50 50 CHGA Cc1ccc([C@@]2(C)O[C@H](CCl)CS2)c(C)c1 1766734 OIWKZJRHKUWGOS-YPMHNXCESA-N 256.798 3.847 50 50 CHGA Fc1cc(F)c(N=C=S)c(Br)c1F 15443792 GWJVRTBMXDLUHA-UHFFFAOYSA-N 268.057 3.601 50 50 CHGA ClC[C@H]1CN(c2ccccc2)[C@H](c2ccccc2)O1 71772666 ZPFDYYPRWQDRTQ-HOTGVXAUSA-N 273.763 3.829 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(Cl)c1 298034 NVMGABZMSOJPTH-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=CCCCCC1 222621784 XNTGBHHUEQUWSQ-CYBMUJFWSA-N 291.303 3.999 50 50 CHGA N#CSCCCCOc1ccccc1Br 2885529 DXBDGAVUUCSWIQ-UHFFFAOYSA-N 286.194 3.822 50 50 CHGA C[C@H](Cl)C(=O)N(C1CC1)[C@@H]1CCCOc2ccccc21 1875364341 LQQDEFYJQJDUQG-SMDDNHRTSA-N 293.794 3.519 50 50 CHGA O=C(Cl)c1cc(Cl)cc(OC(F)F)c1Cl 263624839 UPLXUTCZDKZWSL-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA N#C/C(=C(/O)c1ccco1)c1nc2ccccc2s1 100285184 FZMOVWVPQOHLKQ-LCYFTJDESA-N 268.297 3.839 50 50 CHGA Clc1ccc(OCCCCBr)cc1 2388627 DPTVPYBSBNIACI-UHFFFAOYSA-N 263.562 3.894 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 27650 SWHJISKQXOLDMI-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)Nc1ccccc1 65005 XGABJKBEUDNQML-CPNJWEJPSA-N 289.338 3.995 50 50 CHGA O=C(COc1cccc2ccccc12)NN=C1CCCCC1 260152 VAEFRBVEATYAGC-UHFFFAOYSA-N 296.370 3.655 50 50 CHGA CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 1711132 GGIDEJQGAZSTES-UHFFFAOYSA-N 265.309 3.861 50 50 CHGA O=C(Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 2028315 WROBEYCRCYOUQP-UHFFFAOYSA-N 284.698 3.839 50 50 CHGA O=C(CCl)N(Cc1ccccc1)c1ccc(F)cc1 32123316 ITJQOEIBHBGPPC-UHFFFAOYSA-N 277.726 3.598 50 50 CHGA N#CC(C#N)=Cc1ccc(Sc2ccccc2)o1 351332 FQRLBFXWYGCFKO-UHFFFAOYSA-N 252.298 3.861 50 50 CHGA Cc1c(Br)cccc1CBr 66325567 XVLACHXVYBTTPW-UHFFFAOYSA-N 263.960 3.652 50 50 CHGA in-vitro Cc1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 42588 RNXQHCQDESYTIQ-OVCLIPMQSA-N 263.296 3.788 50 50 CHGA C[C@H](Cl)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 1875363496 FEXTZUYHAKVRPU-GWCFXTLKSA-N 265.784 3.543 50 50 CHGA CC(=O)c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1 336596 LSTJHAYXXUGICP-HNNXBMFYSA-N 287.746 3.808 50 50 CHGA CCCCN(CCCC)CCCBr 40990526 JJMBVJRWKZZPFY-UHFFFAOYSA-N 250.224 3.674 50 50 CHGA in-vitro Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl 100076868 JLYXXMFPNIAWKQ-CDRYSYESSA-N 290.832 3.644 50 50 CHGA world COc1cccc(C=C(C#N)C#N)c1OCc1ccccc1 2747509 MMABSFOQPYVEMT-UHFFFAOYSA-N 290.322 3.705 50 50 CHGA O=C(CCCl)Nc1cc(Cl)ccc1Cl 5670740 BRZDYMZZUBDYCB-UHFFFAOYSA-N 252.528 3.561 50 50 CHGA CN(Cc1ccccc1)c1ccc(SC#N)cc1 402447 ASUUKBWZJZCZSC-UHFFFAOYSA-N 254.358 3.896 50 50 CHGA Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 609609 GFDRHQYXIHPSTK-GZTJUZNOSA-N 297.379 3.642 50 50 CHGA BrC[C@H](Br)c1ccccc1 1691157 SHKKTLSDGJRCTR-QMMMGPOBSA-N 263.960 3.518 50 50 CHGA FC(F)Oc1ccc(N=C=S)c(Br)c1 15444634 IFYYGGXUAKYACG-UHFFFAOYSA-N 280.093 3.785 50 50 CHGA N#CC(C#N)=Cc1ccc(COc2ccc(F)cc2F)o1 2766511 RJRWEVFGCXLPBX-UHFFFAOYSA-N 286.237 3.567 50 50 CHGA O=C(CCl)N1CCC(CCC2CCCCC2)CC1 71782211 HFXMBRSGBCIXSC-UHFFFAOYSA-N 271.832 3.824 50 50 CHGA Cc1occc1C(=O)N/N=C/c1cccc(Cl)c1Cl 228170 KPGSJTXJKREZOD-FRKPEAEDSA-N 297.141 3.659 50 50 CHGA COc1ccc(-c2noc(C)c2CBr)cc1 86012899 DUYZSLYBSMWSTC-UHFFFAOYSA-N 282.137 3.554 50 50 CHGA O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H](F)Cl 2325898638 PCEBDVVNUYINQH-SFYZADRCSA-N 287.615 3.732 50 50 CHGA O=C(N/N=C/c1cccc(Cl)c1)c1cccc(Cl)c1 95288 AILVDHJWAHVBGE-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA O=C1c2ccccc2-c2onc3ccc(NCCCl)c1c23 2895663 AQZAHWIIZXSSRR-UHFFFAOYSA-N 298.729 3.690 50 50 CHGA Fc1cc(CBr)ccc1C(F)(F)F 2560183 MOVSRIIBGRAUAF-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA in-vitro C[C@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl 3319094 COULVMXYHFANBM-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA O=C=Nc1cc(C(F)(F)F)ccc1C(F)(F)F 202226469 OBLGYXZSVKQXKH-UHFFFAOYSA-N 255.117 3.692 50 50 CHGA C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)CCl)C1 1875375135 RVNJPXSUWZOGIF-QMMMGPOBSA-N 290.215 3.654 50 50 CHGA COC(=O)c1ccccc1O[Si](C)(C)C(C)(C)C 169794891 PAJWOPJNPUYXFC-UHFFFAOYSA-N 266.413 3.857 50 50 CHGA O=C(CBr)c1cc(Cl)c(F)cc1Cl 263624135 NSYFHBPRUTWWDJ-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA CCOc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1 16361257 GSAPKNGZIGSISP-DHDCSXOGSA-N 293.322 3.878 50 50 CHGA CC[C@H](Br)C(=O)Nc1cc(Cl)ccc1C 19943827 AALXTCOCUCTGNU-VIFPVBQESA-N 290.588 3.760 50 50 CHGA S=C=Nc1cc(Br)ccc1Br 4254252 JYMRVQQSUHKIST-UHFFFAOYSA-N 292.983 3.946 50 50 CHGA in-vitro CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1 432023 DYRCSWRRAXWPLU-UDWIEESQSA-N 298.361 3.887 50 50 CHGA COC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 6179324 QNAKPDQJZWAQIR-DHZHZOJOSA-N 287.702 3.680 50 50 CHGA COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 12340273 HXEYXRLBHNWGHQ-JLHYYAGUSA-N 275.311 3.636 50 50 CHGA CCCCCOc1ccc(C(=O)Cl)cc1OC 33439285 BAVFWXHLBYMLRJ-UHFFFAOYSA-N 256.729 3.643 50 50 CHGA C/C(=N\NC(=O)c1ccoc1C)c1cccc2ccccc12 232455 UCHALWHCSSEORO-XDHOZWIPSA-N 292.338 3.895 50 50 CHGA CC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1 12384047 SOZKWXUUJPBYEB-OBGWFSINSA-N 267.332 3.622 50 50 CHGA N#CC(=CC=Cc1ccccc1)S(=O)(=O)c1ccccc1 2040751266 UWAWRDPLMNQNIH-UHFFFAOYSA-N 295.363 3.581 50 50 CHGA Clc1ccc(CBr)cc1Br 67794621 ZXIWBVSODJAUTC-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro Cc1cc(C(=O)CCl)c(C)n1-c1ccc(F)cc1 1465858 QNHMSVXIWDSTEP-UHFFFAOYSA-N 265.715 3.655 50 50 CHGA in-vitro C[C@H](Br)C(=O)C12CC3CC(CC(C3)C1)C2 3864722 XABYMCZQJXPCLR-RERGEOBBSA-N 271.198 3.555 50 50 CHGA BrCc1ccc2cnn([C@@H]3CCCCO3)c2c1 59637486 AWPVWONQUKCAJB-ZDUSSCGKSA-N 295.180 3.630 50 50 CHGA Cc1ccc2nc(C(Cl)Cl)c(Br)n2c1 97971802 DGLFPCAVDKQSNO-UHFFFAOYSA-N 293.979 3.881 50 50 CHGA in-vitro CC(C)(C)c1cc(SC#N)c(N)c(SC#N)c1 101748321 SDGZKDBHVGQLPV-UHFFFAOYSA-N 263.391 3.713 50 50 CHGA in-vitro C[C@H]1CSc2ccc(Cl)cc2N(C(=O)CCl)C1 1875375134 RVNJPXSUWZOGIF-MRVPVSSYSA-N 290.215 3.654 50 50 CHGA C/C(=N\NC(=O)Nc1ccccc1)c1ccc(Cl)cc1 4947954 CFGSJZCZQLSEPO-WOJGMQOQSA-N 287.750 3.886 50 50 CHGA CCc1c(C(=O)N/N=C/c2ccc(C)s2)csc1C 373859 STDDCSJOQGMTGN-VIZOYTHASA-N 292.429 3.753 50 50 CHGA O=C(NNc1ccccc1)Nc1cccc(C(F)(F)F)c1 2167818 IVFYCITXTDGXBW-UHFFFAOYSA-N 295.264 3.854 50 50 CHGA COc1ccc(/C=C(/C#N)c2ccc(F)cc2)c(OC)c1 5050721 QDDPJVVQPUBTKM-ZROIWOOFSA-N 283.302 3.907 50 50 CHGA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N(C)C(=O)CCl 1875374161 CUIRIMZUQXOBMC-CQSZACIVSA-N 290.794 3.551 50 50 CHGA COc1ccc([N+](=O)[O-])cc1O[Si](C)(C)C(C)(C)C 196045629 ZZKQYNAFDWPSPY-UHFFFAOYSA-N 283.400 3.987 50 50 CHGA O=C(N/N=C/c1ccccc1Cl)c1c[nH]c2ccccc12 431682 MVWFITONXLRUPF-DJKKODMXSA-N 297.745 3.585 50 50 CHGA COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@@H](Cl)[C@@H]12 254288742 VREJDJQVXUVOSX-IIHFTLBHSA-N 281.182 3.907 50 50 CHGA Cc1ccc(-c2cc(CBr)on2)cc1 32627313 FPRJQQSZPBCSGO-UHFFFAOYSA-N 252.111 3.545 50 50 CHGA in-vitro Cn1c(/C(C#N)=C\c2cccc(F)c2)nc2ccccc21 12374255 NPEQGIVYHKKNRO-LCYFTJDESA-N 277.302 3.777 50 50 CHGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 100178155 FNGKOKLERUIFCV-UHFFFAOYSA-N 283.692 3.529 50 50 CHGA ClCc1nnc(-c2ccc(Cl)c(Cl)c2)o1 3883520 NTJXILNOEFQNJR-UHFFFAOYSA-N 263.511 3.782 50 50 CHGA FC(F)(F)c1ccc(Cl)c(CBr)n1 238571184 LQIVRNZZOZZVIR-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA Cc1ccc2c(C(=O)[C@H](C)Br)c(C)[nH]c2c1 532339 JZURJGJLYVEGCA-QMMMGPOBSA-N 280.165 3.751 50 50 CHGA COc1ccc(/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1 4582577 XUPZQTOIODRVQV-GDNBJRDFSA-N 295.338 3.777 50 50 CHGA N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1 15685486 JHXPMUPRSMEJEM-WQLSENKSSA-N 298.729 3.591 50 50 CHGA Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)O)o2)cc1Cl 4541966 IUOJDAJVEVTSQK-IZZDOVSWSA-N 287.702 3.900 50 50 CHGA CC[C@H](Br)C(=O)Nc1cccc2ccccc12 61487521 VKSOBXXIMGPWDB-LBPRGKRZSA-N 292.176 3.952 50 50 CHGA Cc1ccc(COc2cccc(C(=O)Cl)c2)cc1 40451495 MYZFENYWGQQYBS-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA N#CC1=C(S)NC(c2ccccc2)=C[C@H]1c1ccco1 100314397 YXKDZBUFYYNKNN-GFCCVEGCSA-N 280.352 3.672 50 50 CHGA CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccccn2)cc1 21298542 PIYYEQIVVRRORO-XDHOZWIPSA-N 297.358 3.607 50 50 CHGA in-vitro CC1=CC[C@]23CCCCC[C@]2(C1)CS(=O)(=O)[C@H]3Cl 257358001 RFORAPGFPZYQCW-RDBSUJKOSA-N 288.840 3.657 50 50 CHGA COC(=O)c1cc(/C=C(\C#N)c2cccs2)oc1C 395876 JOZZVBNQDFGWPR-UXBLZVDNSA-N 273.313 3.500 50 50 CHGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1 5093894 NLYCLZBPTYRQHO-CHQLKWBASA-N 294.398 3.845 50 50 CHGA O=CC1=C[C@@H](c2ccc(F)cc2)Nc2ccccc21 332139 ODTMWUBBXJFJQJ-INIZCTEOSA-N 253.276 3.575 50 50 CHGA [C-]#[N+][C@H](C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 100000488 BGVZZOZWXDWACP-HNNXBMFYSA-N 277.389 3.594 50 50 CHGA CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 1404 IAJNXBNRYMEYAZ-UHFFFAOYSA-N 277.323 3.575 50 50 CHGA biogenic,in-man O=C(Cl)c1cc(Cl)c(Br)cc1F 263622917 CARATBJPSXDDPV-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Br 39046032 RNCGMTRWXSQKME-NOOOWODRSA-N 291.229 3.774 50 50 CHGA O=C(Cl)c1sc2cc3c(cc2c1Cl)OCO3 2511044 GSQHQQCOXOFRNW-UHFFFAOYSA-N 275.112 3.662 50 50 CHGA in-vitro Cc1cccc(C(=O)N/N=C/c2ccc3ccccc3c2)c1 292920 BBKWZICITQMOMU-DEDYPNTBSA-N 288.350 3.912 50 50 CHGA C[C@H](Cl)C(=O)N(C1CC1)[C@H]1CCCOc2ccccc21 1875364337 LQQDEFYJQJDUQG-FZMZJTMJSA-N 293.794 3.519 50 50 CHGA C#Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1 585079415 UKKUERLMIOJNFV-VBKFSLOCSA-N 283.334 3.619 50 50 CHGA CN(Cc1ccccc1)C1CCC(SC#N)CC1 392739 VMTJOJXWPPNTDR-UHFFFAOYSA-N 260.406 3.644 50 50 CHGA O=C(Oc1cccc(N=C=S)c1)c1ccccc1 2532490 YPRUUTYWPBBBGA-UHFFFAOYSA-N 255.298 3.640 50 50 CHGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(C)cc1 33385801 LCIXICMFEFQRGT-WAZQMIMHSA-N 278.355 3.814 50 50 CHGA FC(F)(F)c1cc(Br)cnc1CCl 238565787 MOZMKHLLYTXALM-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA CC(C)(C)C1CCC(=NNC(=O)c2ccc(O)cc2)CC1 5383600 ILLGLQWARUTSPP-UHFFFAOYSA-N 288.391 3.714 50 50 CHGA COc1ccc(/C=C(\C#N)c2ccccc2)cc1OC 14807475 PQQFKZSOPMQHDN-XNTDXEJSSA-N 265.312 3.768 50 50 CHGA ClC1(Cl)[C@H]2[C@H]3[C@H](C[C@H]21)[C@H]1C=C[C@H]3[C@@H]1Br 257355508 AZBHOWSCNFNOFZ-FNOZXDMGSA-N 294.019 3.622 50 50 CHGA Cc1ccc(C(C)C)cc1NC(=O)C(Cl)Cl 2167166 ALWANICDHPJTKF-UHFFFAOYSA-N 260.164 3.861 50 50 CHGA CCCCSc1ccc(NC(=O)CCl)cc1 6756987 HEFBPLZBQLSVHI-UHFFFAOYSA-N 257.786 3.756 50 50 CHGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1C 13402030 HCIXPKJBPURXRO-ZROIWOOFSA-N 276.343 3.582 50 50 CHGA CCOC(=O)c1c(N=C=S)sc2c1CCCC2 161819 UGKJYSQOLXXTJG-UHFFFAOYSA-N 267.375 3.538 50 50 CHGA ClC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 342747 MTGKBVQFXBOSCH-OAHLLOKOSA-N 274.747 3.542 50 50 CHGA Cc1ccc2c(C(=O)[C@@H](C)Br)c(C)[nH]c2c1 532338 JZURJGJLYVEGCA-MRVPVSSYSA-N 280.165 3.751 50 50 CHGA O=C(Cl)c1cc(Cl)cc(Br)c1F 263625424 ZVXGVWZXRFZGGW-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA Cc1ccc(COc2ccccc2C(=O)Cl)cc1 40451497 OIWSFCXGWJZNMK-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA ClC[C@@H]1CN(c2ccccc2)[C@@H](c2ccccc2)O1 101364638 ZPFDYYPRWQDRTQ-HZPDHXFCSA-N 273.763 3.829 50 50 CHGA COc1ccccc1N/C=C(\C#N)c1nc2ccccc2[nH]1 5883471 VKILAOPJBNOLEI-VAWYXSNFSA-N 290.326 3.548 50 50 CHGA O=C(Nc1cccc2nc(C(F)F)sc12)[C@@H](F)Cl 1875362016 MDSICNOPEXWDIT-SSDOTTSWSA-N 294.685 3.707 50 50 CHGA CC[C@@H](Br)C(=O)Nc1c(C)cccc1Cl 2161886 XJNXEWLGGWKBPT-MRVPVSSYSA-N 290.588 3.760 50 50 CHGA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCl)O2 139264274 UZNVMWBLRRJGFR-CQSZACIVSA-N 254.757 3.640 50 50 CHGA COc1ccc2cc(CBr)sc2c1 238373971 HOGRBWFDBYZIQV-UHFFFAOYSA-N 257.152 3.805 50 50 CHGA N#C/C(=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 16319794 NYPKWBVYOCDINT-JYRVWZFOSA-N 268.247 3.798 50 50 CHGA O=C(CCCl)Nc1ccc(Cl)c(Cl)c1 4290626 IVEAXRWEGVPLPF-UHFFFAOYSA-N 252.528 3.561 50 50 CHGA FC(F)(Br)[C@@](F)(Cl)[C@@H](Cl)CCl 95707912 GGKDLFPUVNFPNY-STHAYSLISA-N 294.325 3.725 50 50 CHGA FC(F)(F)c1cc(Cl)cc(CBr)n1 95803102 JOKJTLGPYAVRHT-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA in-vitro O=C(Cc1ccccc1)N/N=C/c1ccc2ccccc2c1 298611 QWKLDKTYYDJXGR-XSFVSMFZSA-N 288.350 3.533 50 50 CHGA O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCCCC1 2505920 WHEDYBJEZLLYMZ-VXLYETTFSA-N 298.308 3.736 50 50 CHGA O=C(CCCCl)c1ccc(Br)cc1 2140834 WJKPUMBLABGUCQ-UHFFFAOYSA-N 261.546 3.651 50 50 CHGA in-vitro COc1cccc(C(=O)N/N=C/C(C)=C\c2ccccc2)c1 6292618 YPDYRWMASZUHSA-OUIQLKCYSA-N 294.354 3.514 50 50 CHGA CCC[C@@H]1[C@@H]2C[C@@H](CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 106232044 QPROQTLXKBZWIF-JGGQBBKZSA-N 294.402 3.549 50 50 CHGA Fc1ccccc1CCCCI 136980209 AGWLHIZELJFVQW-UHFFFAOYSA-N 278.108 3.583 50 50 CHGA ClCC1=NC[C@H](c2ccccc2)c2ccccc21 35287534 BISZUZSNQOOGOJ-OAHLLOKOSA-N 255.748 3.860 50 50 CHGA Cc1nn(Cc2cccc(Cl)c2)c(C)c1N=C=S 2538889 ZSIUNILRJSJCBF-UHFFFAOYSA-N 277.780 3.936 50 50 CHGA COc1cnc2c(c1)c(CCl)cn2C(=O)OC(C)(C)C 95707675 RGFAAXKQVGVHDF-UHFFFAOYSA-N 296.754 3.567 50 50 CHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 2879047 RTMJTXBJMTZYRV-JYRVWZFOSA-N 268.247 3.798 50 50 CHGA CC(C)(C)OC(=O)Nc1ccc(N=C=S)cc1 57563 KMOFDGFIFPIQCT-UHFFFAOYSA-N 250.323 3.768 50 50 CHGA CCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O 822834985 SNVIRORNUMHKKC-CPNJWEJPSA-N 298.386 3.966 50 50 CHGA COc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1 70439 GGSJIARERFIGST-RVDMUPIBSA-N 265.312 3.768 50 50 CHGA in-vitro C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1 450758 NLYCLZBPTYRQHO-WPBYZKFFSA-N 294.398 3.845 50 50 CHGA Cc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C 373177 NQIKZDBIBZTCTC-LHHJGKSTSA-N 298.820 3.844 50 50 CHGA COc1c(Cl)cc(Cl)cc1C(=O)CBr 2576067 JLGKZBSXNAOYAG-UHFFFAOYSA-N 297.963 3.580 50 50 CHGA C[C@@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CCl 1875376234 PNZYDXYYMUCKNU-ZETCQYMHSA-N 297.679 3.603 50 50 CHGA ClC1(Cl)[C@H]2[C@@H]3[C@H](C[C@H]21)[C@H]1C=C[C@H]3[C@@H]1Br 257355507 AZBHOWSCNFNOFZ-DBMRJWAYSA-N 294.019 3.622 50 50 CHGA C[C@@H](NC(=O)CCl)c1ccccc1-c1ccc(F)cc1 1875379507 RRWROKSPFVHSCD-LLVKDONJSA-N 291.753 3.909 50 50 CHGA Cc1ccccc1N(C)C(=O)[C@H](Cl)c1ccccc1 4760482 KETNFRHXQNZVNO-OAHLLOKOSA-N 273.763 3.938 50 50 CHGA C/C(=N\NC(=O)c1csc(C)c1C)c1ccc(C)s1 373126 AXMQYGPILPWBAQ-XNTDXEJSSA-N 292.429 3.889 50 50 CHGA CC1=C(C#N)C(c2ccccc2Cl)C(C#N)=C(C)N1 19419636 MFINTCADTVFVSR-UHFFFAOYSA-N 269.735 3.622 50 50 CHGA Fc1cc(CBr)cc(Br)c1F 258834229 OPXUZZIAAWYKCU-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA FC(F)(F)C(F)(CCBr)C(F)(F)F 72265599 FUHVEPPHYBKPIV-UHFFFAOYSA-N 276.977 3.604 50 50 CHGA in-vitro Clc1cc(Br)cc(CBr)c1 88190246 JDJGQVIVJNGFPH-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1 175877 PELFDAIRBMAVCL-CPNJWEJPSA-N 274.323 3.604 50 50 CHGA [C-]#[N+][C@H](c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 100167401 LFYGLAKFGVOWQS-INIZCTEOSA-N 285.368 3.695 50 50 CHGA O=C(Cc1ccccc1)NNc1ccc2ccccc2c1 2809997 OHMQMUGTSYCFTJ-UHFFFAOYSA-N 276.339 3.526 50 50 CHGA biogenic C[Si](C)(C)Oc1cccc(I)c1 169746983 GJDJYHHPFQRAHK-UHFFFAOYSA-N 292.192 3.505 50 50 CHGA CCc1cccc(C)c1N(COC(C)C)C(=O)CCl 2382743 KZNDFYDURHAESM-UHFFFAOYSA-N 283.799 3.512 50 50 CHGA in-vitro Clc1cc(Br)ccc1CBr 54711046 DYPSDTOQOSPYOT-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro O=P(Cc1ccccn1)(c1ccccc1)c1ccccc1 273066 LSPLDENUOBBLOB-UHFFFAOYSA-N 293.306 3.596 50 50 CHGA Cc1ccc(-c2noc(C)c2C(=O)CBr)cc1 95100080 ZOIASHFMTFPZBO-UHFFFAOYSA-N 294.148 3.536 50 50 CHGA in-vitro CN(CCCl)c1oc(-c2ccc(Cl)cc2)nc1C#N 1857798718 CJZRKTDGHRNODA-UHFFFAOYSA-N 296.157 3.542 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1ccc(F)cc1 40451458 UMJSTYFZHZLRKQ-UHFFFAOYSA-N 294.709 3.792 50 50 CHGA CN(C)c1ccc(/C=C(/C#N)c2ccccc2F)cc1 16384019 NEUQMXUGYVPJNJ-KAMYIIQDSA-N 266.319 3.956 50 50 CHGA C[C@@H](Cl)C(=O)N(C1CC1)[C@H]1CCCOc2ccccc21 1875364339 LQQDEFYJQJDUQG-RISCZKNCSA-N 293.794 3.519 50 50 CHGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 74941463 OPGCHVJYXDQBRZ-VIFPVBQESA-N 296.823 3.845 50 50 CHGA CC(C)[C@@H](COC(=O)CCl)CSc1ccccc1 43198912 PTXDBLVVZKJJRQ-LBPRGKRZSA-N 286.824 3.833 50 50 CHGA CCn1c2ccccc2c2cc(NC(=O)CCl)ccc21 3136060 LUPBNOXHXIDWDW-UHFFFAOYSA-N 286.762 3.992 50 50 CHGA CC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccccc1 95298 SWOXBGQRICYKEA-SDXDJHTJSA-N 286.762 3.884 50 50 CHGA CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 1392237 QVCBWMQRUPMBFY-LBPRGKRZSA-N 288.778 3.767 50 50 CHGA N#C/C(=C\c1cc(Cl)ccc1O)c1nc2ccccc2[nH]1 4149412 KNFSRIOOKDRHFR-YRNVUSSQSA-N 295.729 3.986 50 50 CHGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(F)cc1 401137 ZKUZQSVUBZQMHT-NTUHNPAUSA-N 267.259 3.619 50 50 CHGA Cc1cccc2nc(C(Cl)Cl)c(Br)n12 97971798 DHOIJHWXUHDMPU-UHFFFAOYSA-N 293.979 3.881 50 50 CHGA in-vitro C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 585145835 CKZLWYYYRWKWSJ-CSOVLEBPSA-N 294.398 3.534 50 50 CHGA CC(=O)Nc1ccc(/C=C(/C#N)c2ccccc2)cc1 394885 YGAICZUVPXATMI-WJDWOHSUSA-N 262.312 3.709 50 50 CHGA O=C(N[C@@H](c1ccccc1)C(Cl)Cl)c1ccccc1 285955 HDVBJGQOFYHRNZ-ZDUSSCGKSA-N 294.181 3.961 50 50 CHGA Clc1cccc(OCCCCBr)c1 4291182 NFQQHXYGFYKMQL-UHFFFAOYSA-N 263.562 3.894 50 50 CHGA CC1=CC(C)(C)N(C(=O)CCl)c2ccc(F)cc21 223234216 FFKOKJLWOPBAPM-UHFFFAOYSA-N 267.731 3.593 50 50 CHGA N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1 16677480 FIECPCPSDPFGAI-XFXZXTDPSA-N 298.729 3.591 50 50 CHGA C[C@H](NC(=O)/C(C#N)=C/c1cccs1)c1ccccc1 732084 OTYUDKODAODTBH-LQELWAHVSA-N 282.368 3.532 50 50 CHGA O=C(Cl)c1cc(Cl)c(F)c(Br)c1 263624264 OUZYKZAFQONUGY-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CCc1cccc(CC)c1NC(=O)OCCCl 2167853 FYVCBVYIVBKRBK-UHFFFAOYSA-N 255.745 3.599 50 50 CHGA N#CC(C#N)=Cc1ccc(OCc2ccc(F)cc2)cc1 4118560 GFGWWUAETIGCNE-UHFFFAOYSA-N 278.286 3.835 50 50 CHGA N#C/C(=C/c1ccccc1)C(=O)Nc1ccccc1Cl 134967 RSUDQNHWTSDHLP-RAXLEYEMSA-N 282.730 3.886 50 50 CHGA CC(C)COc1ccc(C(=O)[C@@H](C)Br)cc1 82586582 LTNSLWFXCOVLLX-SNVBAGLBSA-N 285.181 3.688 50 50 CHGA ClC(Cl)c1cn2cccc(Br)c2n1 97971801 MEIKHJFXARBLAW-UHFFFAOYSA-N 279.952 3.573 50 50 CHGA in-vitro COc1ccc(/C(C#N)=C/c2ccc(NC(C)=O)cc2)cc1 70426 SCJOTXFZTGVSLS-LFIBNONCSA-N 292.338 3.718 50 50 CHGA Cc1ccccc1/C=C(/C#N)c1nc2ccccc2n1C 12374256 VCMSKKSDYWJPNH-PTNGSMBKSA-N 273.339 3.946 50 50 CHGA C[C@@H](NC(=O)[C@@H](F)Cl)c1nc(-c2ccccc2)cs1 1875361990 KUIQAJLKQXLKRF-LDYMZIIASA-N 298.770 3.522 50 50 CHGA CCN1/C(=C/C=C/C=C/C=O)Sc2ccccc21 13301556 BGYWFSARJQKRRJ-XXSVJMKSSA-N 257.358 3.771 50 50 CHGA N#C/C(=C\c1ccc(F)cc1)c1nc2ccccc2[nH]1 13109753 AOJIZTRFKUSXNB-FMIVXFBMSA-N 263.275 3.766 50 50 CHGA O=C(Nc1cccc(Cl)c1Cl)OCCCl 2170785 ZFGBWZDIXRWICD-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA CC(C)(C)[Si](C)(C)OC1=CCC[C@H]2CC(=O)O[C@@H]12 169835260 XXBPYEHIAIIGBC-GXFFZTMASA-N 268.429 3.618 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 4531729 ZDFLQGAJFFWSSF-FOWTUZBSSA-N 276.339 3.542 50 50 CHGA O=C(CCl)Nc1cc(C(F)(F)F)ccc1Cl 163395 YJUFYUGDUFBEDG-UHFFFAOYSA-N 272.053 3.536 50 50 CHGA O=C(CBr)c1cc(Cl)cc(Cl)c1F 2544771 MOMGBDKPHFILQZ-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA Cn1c(/C(C#N)=C(\O)c2cccc(F)c2)nc2ccccc21 100505350 ZYKSBMGLPBGJBF-SSZFMOIBSA-N 293.301 3.662 50 50 CHGA CC(C)(C)OC(=O)c1ccccc1CBr 113561334 CZZWLGQCYJDGCR-UHFFFAOYSA-N 271.154 3.537 50 50 CHGA O=C(CCl)c1cc(F)c(Br)c(Cl)c1 263623218 FREJJYQJWBWRTQ-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA COc1cc(CO[Si](C)(C)C(C)(C)C)cnc1OC 169794066 ZYKBLGKKUDQICY-UHFFFAOYSA-N 283.444 3.621 50 50 CHGA in-vitro N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 12375725 MHBAKHXIYJYROG-ZROIWOOFSA-N 250.257 3.659 50 50 CHGA O=C(CCl)N[C@@H]1C=C(c2ccc(Cl)cc2)CCC1 1875379874 YRGMYEXISQCPGF-ZDUSSCGKSA-N 284.186 3.631 50 50 CHGA CC(C)(C)c1ccc(OCCBr)cc1 1871245 FUKSVLFLNLWAFM-UHFFFAOYSA-N 257.171 3.758 50 50 CHGA C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 42784648 AZFQCTBZOPUVOW-UHFFFAOYSA-N 277.327 3.610 50 50 CHGA in-vitro N#C/C(=C\c1cccc(F)c1)c1nc2ccccc2[nH]1 3946905 FEMKUENBLGVFIX-XYOKQWHBSA-N 263.275 3.766 50 50 CHGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)[nH]1 4997696 AAKSBYRSZSQFNY-JYRVWZFOSA-N 262.316 3.572 50 50 CHGA FC(F)(Br)[C@](F)(Cl)[C@H](Cl)CCl 95707910 GGKDLFPUVNFPNY-GBXIJSLDSA-N 294.325 3.725 50 50 CHGA O=C(Cl)c1c(Cl)cc(F)cc1Br 263624305 PEAXFWGWPDXRQO-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA COc1ccc(/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 70460 XUPZQTOIODRVQV-XNTDXEJSSA-N 295.338 3.777 50 50 CHGA O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)[C@H](F)Cl 2325897994 OXZYLBPLIGWCNO-HOCLYGCPSA-N 295.785 3.606 50 50 CHGA Cc1ccc2nc(/C(C#N)=C/c3cccs3)[nH]c2c1 4725958 ZOLYOTQZGCPRSJ-DHZHZOJOSA-N 265.341 3.997 50 50 CHGA O=C(CCl)c1cc(Cl)cc(F)c1Br 263623289 GGAZZRVRNDMFMS-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA C[C@H](NC(=O)CCl)c1ccccc1-c1ccc(F)cc1 1875379508 RRWROKSPFVHSCD-NSHDSACASA-N 291.753 3.909 50 50 CHGA ClCc1ccc(Br)cc1CCl 116524984 ZKQPOAXHPHXHAO-UHFFFAOYSA-N 253.954 3.927 50 50 CHGA CCCc1cc(C(=O)N/N=C/c2ccsc2)cs1 2784858 ONMZFYJHOMJRJI-VGOFMYFVSA-N 278.402 3.526 50 50 CHGA COc1cccc(C(=O)Cl)c1OCc1cccc(C)c1 40451517 RQQWNYIUZOTGLY-UHFFFAOYSA-N 290.746 3.962 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)N=C1O[C@@H](CCl)CS1 2049286287 WOZMOUDIKWPRNW-AYGWYOGXSA-N 287.856 3.928 50 50 CHGA COc1cccc(NC(=O)[C@@H](Cl)c2ccccc2)c1 3157336 ZLMFVYKPWZYOHO-AWEZNQCLSA-N 275.735 3.614 50 50 CHGA CCOC(=O)N[C@H](c1ccc(Cl)cc1)C(Cl)Cl 4957898 CWOZPHQKPKPKCC-SECBINFHSA-N 296.581 3.931 50 50 CHGA O=C(Cl)c1cc(OC(F)F)cc(Cl)c1Cl 263624328 PJRAYCOQVOGVLE-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA Cc1ccc(S(=O)(=O)SCc2ccccc2)cc1 399337 AJHXMWXYVYOBQI-UHFFFAOYSA-N 278.398 3.617 50 50 CHGA CC(C)N(C(=O)[C@H](C)Cl)c1cnc2ccccc2c1 1875377341 CHWAIKGHHORINS-NSHDSACASA-N 276.767 3.604 50 50 CHGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1C=CCCCCC1 222621723 XNTGBHHUEQUWSQ-ZDUSSCGKSA-N 291.303 3.999 50 50 CHGA C[C@H]1CCCC[C@H]1C(=O)OC(=O)[C@H]1CCCC[C@H]1C 100541934 DUKADNFIUMKWIY-LVEBTZEWSA-N 266.381 3.709 50 50 CHGA FC(F)(CBr)c1ccc(Br)cc1 66312931 FTZXJTCNRQOEEE-UHFFFAOYSA-N 299.940 3.936 50 50 CHGA N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)O 6343823 BGAFXTJIFKFGRH-CLFYSBASSA-N 273.675 3.592 50 50 CHGA CC[C@@H](Br)C(=O)Nc1ccc2ccccc2c1 61487810 AONFVIPUDZZEDR-CYBMUJFWSA-N 292.176 3.952 50 50 CHGA CC[C@H](Br)C(=O)Nc1ccc2ccccc2c1 61487809 AONFVIPUDZZEDR-ZDUSSCGKSA-N 292.176 3.952 50 50 CHGA O=C(CCl)c1cccc(Cl)c1Br 238538497 XPIDETGXRMZWLL-UHFFFAOYSA-N 267.937 3.524 50 50 CHGA N#CC(=C=N)c1ccc(-c2ccc(C(=C=N)C#N)cc2)cc1 85483756 BNKOCGHSSIEVBU-UHFFFAOYSA-N 282.306 3.665 50 50 CHGA in-vitro CO[C@]1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1 116885526 WEKVUZKVUWJAFG-OAHLLOKOSA-N 264.752 3.882 50 50 CHGA CCC[C@H](I)CC(F)(F)F 64370161 QFRQARUUKDNGBD-YFKPBYRVSA-N 266.044 3.543 50 50 CHGA in-vitro O=C(Cl)c1cc2cc(Br)cc(F)c2o1 1772820780 PCXHTJXLRUAJIS-UHFFFAOYSA-N 277.476 3.713 50 50 CHGA COC(=O)c1c(N=C=S)sc2c1CCCCC2 8205563 VNBQHESWEMVAQR-UHFFFAOYSA-N 267.375 3.538 50 50 CHGA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@H](Cl)[C@@H]12 230116315 QYAXVGYQBFVYCK-OZOBKVMQSA-N 276.166 3.770 50 50 CHGA C[C@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 19737263 DAFPFECFVGRHLA-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA Cc1ccc(-c2nn3c(C)cc(C)nc3c2SC#N)cc1 408896407 YJBLXYNOMPBYBG-UHFFFAOYSA-N 294.383 3.895 50 50 CHGA CC(C)(C)C1=NC(=C(C#N)C#N)C2=C(CCCC2)O1 3107092 HDXVRADDSOXJRS-UHFFFAOYSA-N 255.321 3.591 50 50 CHGA O=C(O)[C@H](CCCBr)c1ccc(Cl)cc1 16697069 ZIXCXSPCIYPZKF-SNVBAGLBSA-N 291.572 3.683 50 50 CHGA in-vitro CC(C)(C)C1=CC(=O)[C@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 1763054 JSACLUOJBWRMBY-SMDDNHRTSA-N 291.218 3.742 50 50 CHGA CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Cl 33435530 NAABUGJBFBVHMI-UHFFFAOYSA-N 254.757 3.907 50 50 CHGA O=C(CBr)c1cc(F)cc(Cl)c1Cl 263625039 WFLVJWKPKYMMRF-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA Cc1ccccc1NC(=O)/C(C#N)=C\c1ccsc1 5073114 ZLXKFWKNGJTPKF-JYRVWZFOSA-N 268.341 3.602 50 50 CHGA O=C/C(=C\Nc1ccccn1)c1nc2cc(Cl)ccc2o1 16545939 OEVJPMIWESOQHV-CSKARUKUSA-N 299.717 3.528 50 50 CHGA Cc1ccc([C@]2(C)O[C@@H](CCl)CS2)c(C)c1 1766731 OIWKZJRHKUWGOS-WCQYABFASA-N 256.798 3.847 50 50 CHGA O=C(CCCl)Nc1ccc(OCc2ccccc2)cc1 3156528 LEPSISFBZXUROW-UHFFFAOYSA-N 289.762 3.833 50 50 CHGA CC(C)(C)C(=O)C(C#N)=Cc1c[nH]c2ccccc12 2040691857 CKVXXCCOLPKERT-UHFFFAOYSA-N 252.317 3.690 50 50 CHGA CC1(/C(CCc2ccccc2)=N/NC(N)=O)CCCCC1 4992080 SCBLJLVMYFEBGA-XDJHFCHBSA-N 287.407 3.614 50 50 CHGA N#CC1=C(Nc2ccc(Br)cc2)CCC1 241072 JZYWFBSSDYCXDG-UHFFFAOYSA-N 263.138 3.823 50 50 CHGA biogenic CCCCCCCC[C@@H](Br)C(=O)O 78239681 KNLOTZNPRIFUAR-SECBINFHSA-N 251.164 3.585 50 50 CHGA in-vitro CC(C)[C@H]1CC[C@H](C)C/C1=N\NC(=O)C1CCCC1 170609255 DASSSPDCTLLELF-NSERTSAKSA-N 264.413 3.741 50 50 CHGA O=C(Cl)c1cc(F)cc(Cl)c1Br 263622847 BJNAPORPNKLRHX-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CC1(C)CC[P@@+](C)(c2ccccc2)c2ccccc21 100696769 GHEYNHYQYGWROH-IBGZPJMESA-N 269.348 3.966 50 50 CHGA Fc1cc(N=C=S)c(Cl)cc1Br 15444526 BGOBMVOOKCFVHM-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA CCN1/C(=C/C=C(C#N)C#N)C=Cc2cc(C)ccc21 71775463 UEZYCOUVVQRHAM-FRKPEAEDSA-N 261.328 3.706 50 50 CHGA C[C@H](NC(=O)/C(C#N)=C\c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 254521404 CKZLWYYYRWKWSJ-AVDXCDHASA-N 294.398 3.534 50 50 CHGA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@H](Cl)[C@H]12 254841747 QYAXVGYQBFVYCK-MDUHGFIHSA-N 276.166 3.770 50 50 CHGA O=C(NNc1ccccc1)Nc1cccc2ccccc12 2143412 BCRTZNPFVYDIJS-UHFFFAOYSA-N 277.327 3.988 50 50 CHGA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H](Cl)C(=O)[C@@H]3C[C@@H]12 71786652 FDDVVWXZWWNTSO-WBWNACRCSA-N 254.801 3.891 50 50 CHGA CC[C@H](Br)C(=O)Nc1ccc(F)c(Cl)c1 32919927 HABHQHUFXFSFGI-ZETCQYMHSA-N 294.551 3.591 50 50 CHGA C[C@@H](Cl)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1875363499 FEXTZUYHAKVRPU-ZWNOBZJWSA-N 265.784 3.543 50 50 CHGA CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)Cc1ccccc1)C2 4985104 SROCZDHTWXKAGL-XKZZHMLESA-N 284.403 3.548 50 50 CHGA O=C1OC(=O)[C@]23CC=CC[C@@]12CCCCCCCCC3 101047865 WYJYJBYSQCUUHQ-IRXDYDNUSA-N 276.376 3.917 50 50 CHGA O=C(Cl)c1c(Cl)cc(OC(F)F)cc1Cl 263624400 QDKRACSJUSQTNJ-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA O=C(Cl)c1cc(Cl)cc(F)c1Br 263623884 LORWPUMANXVIQX-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA COc1ccccc1NC(=O)/C(C#N)=C/c1sccc1C 2744020 DWXXSQLBYYWACV-FMIVXFBMSA-N 298.367 3.611 50 50 CHGA Cc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 459631 FUFHYFCGXOFSAR-BRFSQIRFSA-N 290.366 3.779 50 50 CHGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1 5093889 NLYCLZBPTYRQHO-NCTDSOPZSA-N 294.398 3.845 50 50 CHGA Cc1cccc(/C(C#N)=C\c2ccc(OCC(=O)O)cc2)c1 4866683 CNWDEDUYEMCACI-YBEGLDIGSA-N 293.322 3.523 50 50 CHGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl 40451368 QCQPLNNBTMZBAE-QMMMGPOBSA-N 267.539 3.916 50 50 CHGA CCSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(O)=N1 8995052 KURIEOKOZGEUGI-JTQLQIEISA-N 275.377 3.535 50 50 CHGA CC(C)(C)OP(=O)(OCCl)OC(C)(C)C 38276862 LNJAJHJFSKUCIR-UHFFFAOYSA-N 258.682 3.938 50 50 CHGA in-vitro ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl 1621 JLYXXMFPNIAWKQ-UHFFFAOYSA-N 290.832 3.644 50 50 CHGA biogenic,in-vitro COc1ccc2nc(Cl)c(CCCl)cc2c1 260279 OTXMAJOCDCFNEA-UHFFFAOYSA-N 256.132 3.678 50 50 CHGA Cc1ccc(Br)cc1CBr 83689065 WUYNRJWPYQNBHI-UHFFFAOYSA-N 263.960 3.652 50 50 CHGA CC(C)(C)c1ccc(C(=O)CBr)cc1 3199619 GCJWEWNNECJKPG-UHFFFAOYSA-N 255.155 3.562 50 50 CHGA in-vitro O=C(Cl)c1ccc(Br)cc1Br 39648657 PCZHFYGRQWFUSL-UHFFFAOYSA-N 298.361 3.591 50 50 CHGA Cc1cc(OC(C)(C)C(=O)Cl)cc(C)c1Cl 40451407 PAESUTRXEQZHQR-UHFFFAOYSA-N 261.148 3.880 50 50 CHGA CCO/C(O[Si](C)(C)C)=C(/F)[Si](C)(C)C 197891171 WECXVMSWEVCFKZ-MDZDMXLPSA-N 250.462 3.890 50 50 CHGA CCc1ccc(NC(=O)C(C#N)=C2CCCCC2)cc1 5985134 JFVLXDZLXDOKOQ-UHFFFAOYSA-N 268.360 3.972 50 50 CHGA Cc1cc(C)c(OCCCBr)cc1C 41327696 YHCWHTWIDNKVJH-UHFFFAOYSA-N 257.171 3.776 50 50 CHGA C/C(=N\NC(=O)c1cccs1)c1ccccc1Cl 13688885 AHVXARGCKBFLLG-OQLLNIDSSA-N 278.764 3.556 50 50 CHGA C[Si](C)(C)OB(O[Si](C)(C)C)O[Si](C)(C)C 169743339 YZYKZHPNRDIPFA-UHFFFAOYSA-N 278.382 3.526 50 50 CHGA CCCCCCC[C@H](Br)C(=O)OCC 100295492 QARKIRQNOLQDFJ-JTQLQIEISA-N 265.191 3.674 50 50 CHGA FC(F)(F)c1ccc(CCBr)cc1 54711047 WTCVMJLGKMOROW-UHFFFAOYSA-N 253.061 3.643 50 50 CHGA CC(C)(Oc1cccc(C(F)(F)F)c1)C(=O)Cl 40451398 PSWMKDNDXYXGAX-UHFFFAOYSA-N 266.646 3.628 50 50 CHGA CCCC[C@H](Br)C(=O)c1ccc(OC)cc1 34573317 GAQLVKVMOILKSF-LBPRGKRZSA-N 285.181 3.832 50 50 CHGA CCOCc1c(C)cc(C)c(C=C(C#N)C#N)c1C 2495326 SSIDJPAXAZFQTK-UHFFFAOYSA-N 254.333 3.579 50 50 CHGA O=C1O[C@H](CCl)CN1Cc1c(Cl)cccc1Cl 334000 HTYLILILOVWHGS-SSDOTTSWSA-N 294.565 3.553 50 50 CHGA Cc1cc(Cl)c(C(=O)CBr)cc1Cl 263623322 GNGXBMBBHVFSEZ-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA CC[C@@H](Br)C(=O)Nc1cccc(Cl)c1C 2141586 ULVZKBBHUYBRTD-MRVPVSSYSA-N 290.588 3.760 50 50 CHGA Cc1ccc(SS(=O)(=O)c2ccc(C)cc2)cc1 399894 HSAROCRPZOYKGS-UHFFFAOYSA-N 278.398 3.784 50 50 CHGA C[C@H](Cl)OC(=O)Oc1cccc(C(F)(F)F)c1 3080897 IYGGZHHFTRUCMN-ZCFIWIBFSA-N 268.618 3.806 50 50 CHGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(N)=S 468397 LTIQSMFPELYSSQ-VQHVLOKHSA-N 288.759 3.793 50 50 CHGA C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1 4372527 MCKKEQHMPIOLLY-NSHDSACASA-N 294.782 3.544 50 50 CHGA COc1ccccc1C(=O)N/N=C/C(C)=C\c1ccccc1 4329554 AWXPBXXQWLHLCC-WROMKANLSA-N 294.354 3.514 50 50 CHGA CC(C)(C)OC(=O)n1c(CCl)nc2ccccc21 34750418 YNZUHDHIWWRGOR-UHFFFAOYSA-N 266.728 3.558 50 50 CHGA O=C(NN=C1CCCCC1)c1cc2ccccc2cc1O 299212 HEDXCCXRAATJCX-UHFFFAOYSA-N 282.343 3.595 50 50 CHGA Cc1ccc(CBr)cc1Br 85224862 LWQPVINTIOVYLW-UHFFFAOYSA-N 263.960 3.652 50 50 CHGA Cc1cc2nc(C(Cl)Cl)nc(-c3cccs3)n2n1 1775975661 JVLXRFOIVKSPTB-UHFFFAOYSA-N 299.186 3.637 50 50 CHGA CC(C)(c1ccc(N=C=O)cc1)c1ccc(N=C=O)cc1 101364750 PGKVHYTTXBKQQT-UHFFFAOYSA-N 278.311 3.947 50 50 CHGA C[C@H](Cl)C(=O)Nc1c(Cl)cccc1Cl 8264187 IBMAPKQNFTUQJD-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA in-vitro COCCN(CCCl)Cc1cccc2ccccc12 95742234 PHZFCAHQEUFBMQ-UHFFFAOYSA-N 277.795 3.527 50 50 CHGA COc1ccc(C=CC=C(C#N)C(=O)C(C)(C)C)cc1 2053542073 UYLYGFLKGRKDLI-UHFFFAOYSA-N 269.344 3.774 50 50 CHGA CCCCCCCCCCNC(=O)CBr 1576987 RZTGBAJAVREPOB-UHFFFAOYSA-N 278.234 3.638 50 50 CHGA CC(C)(C)c1cc(C(=O)Cl)n(Cc2ccccc2)n1 2150008 GXQKPPPBCMZVMB-UHFFFAOYSA-N 276.767 3.608 50 50 CHGA CCC[C@@H]1[C@H]2C[C@@H](CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 106232051 QPROQTLXKBZWIF-DUVNUKRYSA-N 294.402 3.549 50 50 CHGA CC(C)=CCCC1=CC[C@@H](/C(C)=N/NC(N)=O)CC1 4728566 WHFWQOLTYRCHGU-RFRKOGIWSA-N 263.385 3.504 50 50 CHGA C=CCSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(O)=N1 17028068 LZRLOWGNHYRGTI-NSHDSACASA-N 287.388 3.701 50 50 CHGA O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H](F)Cl 2325898636 PCEBDVVNUYINQH-HTQZYQBOSA-N 287.615 3.732 50 50 CHGA N#C/C(=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 256417 OKLONZWBFHWGCB-UKTHLTGXSA-N 268.247 3.798 50 50 CHGA N#Cc1ccc2[nH]cc(CCCCBr)c2c1 146926715 WNBYKRULTDENTP-UHFFFAOYSA-N 277.165 3.757 50 50 CHGA FC(F)(F)c1c(CCl)ccnc1Br 238563219 XPIGOLZFCUEPCF-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA COc1cc2c(cc1/C=C(/C#N)c1ccc(C)cc1)OCO2 12363033 ZMXIGICFTBZLOI-CHHVJCJISA-N 293.322 3.797 50 50 CHGA Cc1cc(CNC(=O)CCl)ccc1-c1ccccc1 1875374802 FNGGACOISJIDMA-UHFFFAOYSA-N 273.763 3.517 50 50 CHGA CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@H](Cl)CC[C@H]12 2172760 MBRKXOAKUNDRJZ-MGPQQGTHSA-N 276.763 3.793 50 50 CHGA Cc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 273676 MGFDCRMDGIVONA-GIJQJNRQSA-N 290.725 3.551 50 50 CHGA O=C(CCl)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 5446379 YGNXSJPOWXWYHU-INIZCTEOSA-N 298.773 3.603 50 50 CHGA C[C@H]1CC(O[Si](C)(C)C)=C[C@H]1CCC1(C)OCCO1 169833846 NYGMOPCUQBRRHE-QWHCGFSZSA-N 284.472 3.921 50 50 CHGA Cc1cccc(Oc2ccccc2CNC(=O)CCl)c1 1324707703 ZUGGAFVRSXTHRN-UHFFFAOYSA-N 289.762 3.642 50 50 CHGA Cc1cc(N=C=S)nn1Cc1c(F)cccc1Cl 2552516 BARMZCOMRCCNLP-UHFFFAOYSA-N 281.743 3.767 50 50 CHGA CC(C)[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 221753979 OLRHZBDMYHEVOK-HNNXBMFYSA-N 264.328 3.666 50 50 CHGA FC(F)(F)c1cnc(Cl)c(CBr)c1 238578737 NZXBBGPRCSGVCT-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA Cc1ccc(-c2noc(C)c2CBr)cc1 86012890 CXYOBHRMZYPNAF-UHFFFAOYSA-N 266.138 3.853 50 50 CHGA in-vitro CC(/C=N/NC(=O)c1csc(C)c1C)=C\c1ccco1 373168 CBMXJHKYZOMMKU-YHQUMQLZSA-N 288.372 3.777 50 50 CHGA COc1ccc(/C=C(/C#N)c2ccccc2)cc1OC 394354 PQQFKZSOPMQHDN-GDNBJRDFSA-N 265.312 3.768 50 50 CHGA Cc1ccc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 71038 PJJARSYRNWSUPJ-OQLLNIDSSA-N 264.284 3.967 50 50 CHGA in-vitro CC(C)=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 291265 MRUJWQMPYZTXOT-QGZVFWFLSA-N 292.382 3.505 50 50 CHGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 134334 UJSWYBPXFWRAOO-FMIVXFBMSA-N 285.274 3.556 50 50 CHGA O=C(Cc1ccccc1)N/N=C/C=C/c1ccccc1Cl 2854455 FCFQRSBYHBMRSJ-ATFGCDJJSA-N 298.773 3.698 50 50 CHGA C[C@@H](Br)c1ccc(Br)cc1 57368679 QQIOJAHQDFJQSJ-ZCFIWIBFSA-N 263.960 3.905 50 50 CHGA N#C/C(=C(/O)c1ccccc1)c1nc2ccccc2[nH]1 100285181 GXQPVXVUVULIJC-QINSGFPZSA-N 261.284 3.513 50 50 CHGA O=C(Nc1c(Cl)cccc1Cl)OCCCl 2170996 HEBZIURPRFBEGP-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA CC(C)(C)c1cn2c3ccccc3nc2n1CCCl 333596 OFDPEABUOIUTEQ-UHFFFAOYSA-N 275.783 3.825 50 50 CHGA Cc1cccc(-c2[nH]ncc2/C=C(\C#N)C(=O)C(C)C)c1 170621172 PYHQQFLEQMRNAM-RIYZIHGNSA-N 279.343 3.517 50 50 CHGA Clc1cccc(CBr)c1Br 97436564 WXOCIVQFRGGCER-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA [C-]#[N+][C@H](c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 100192699 QOEGZIMRMSXLIL-HNNXBMFYSA-N 289.331 3.526 50 50 CHGA in-vitro CSC1=C(C#N)[C@H](c2cccc3ccccc23)CC(=O)N1 198454 FGEXDYOILRPMTJ-AWEZNQCLSA-N 294.379 3.541 50 50 CHGA O=C(CCl)Nc1ccc2c(c1)oc1ccccc12 15109088 BKVOMTTWZLOIDK-UHFFFAOYSA-N 259.692 3.763 50 50 CHGA CCCCCCCC(=O)N/N=C/c1ccccc1OC 2795776 RAOYKFHVQKLUDN-GHRIWEEISA-N 276.380 3.506 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1ccc(C)cc1 40451496 KEKDUQFRHCZZJV-UHFFFAOYSA-N 290.746 3.962 50 50 CHGA CCCCC/C(=N\NC(=O)c1cccnc1)c1ccccc1 4948726 KYIXUXUVKLHSCX-LVZFUZTISA-N 295.386 3.796 50 50 CHGA CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1O 4599955 NJKAQFPRXWXQDH-XNTDXEJSSA-N 293.322 3.581 50 50 CHGA Cc1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 3267897 GTGODNLPJFFPBB-CQSZACIVSA-N 259.736 3.914 50 50 CHGA in-vitro O=C(Nc1cccc2c1ccn2C(F)F)[C@@H](F)Cl 2325898218 XJNZUWCNLTWDKC-SECBINFHSA-N 276.645 3.509 50 50 CHGA C[C@H](Cl)C(=O)N(c1ccccc1)c1ccccc1 34403837 BWNUNGKNWBDEHB-LBPRGKRZSA-N 259.736 3.979 50 50 CHGA N#C/C(=C\c1ccc(O)cc1)c1nc(C2CC2)cs1 3997980 MEQSIXDWQRZENU-KPKJPENVSA-N 268.341 3.790 50 50 CHGA O=C(Cl)c1cc(OC(F)F)c(Cl)cc1Cl 263623486 HVWVWRCMOFKUSR-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA O=C(Nc1ccc(Cl)cc1)ON=C(Cl)CCl 252430909 RRXVRWOXCZHJRE-UHFFFAOYSA-N 281.526 3.680 50 50 CHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1C 445553 OXYHFOBZWXMHLL-RVDMUPIBSA-N 292.338 3.549 50 50 CHGA Cc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1 355827 AJCONHUCCYVFNA-VCHYOVAHSA-N 298.411 3.699 50 50 CHGA O=C(Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1 2028318 CZXBKGCNMSYLQV-UHFFFAOYSA-N 284.698 3.839 50 50 CHGA N#C/C(=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 581057 LHERNHSFIPILFV-UVTDQMKNSA-N 250.257 3.659 50 50 CHGA Cc1cc(Br)cc(C(=O)Cl)c1Cl 67800131 KEXFUVHQRNSLPK-UHFFFAOYSA-N 267.937 3.790 50 50 CHGA CC1=CC[C@]23CCCCC[C@@]2(C1)CS(=O)(=O)[C@H]3Cl 257358000 RFORAPGFPZYQCW-MCIONIFRSA-N 288.840 3.657 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)c1cccc(F)c1 298759 KXMLXYZWQNWGFY-UDWIEESQSA-N 292.313 3.743 50 50 CHGA ClCc1c(Br)cccc1Br 330966 ZQXXGYGHMXZRRY-UHFFFAOYSA-N 284.378 3.950 50 50 CHGA O=C(NNc1nc(-c2ccccc2)cs1)c1ccccc1 1395223 BAAXTWGIWRHQSD-UHFFFAOYSA-N 295.367 3.567 50 50 CHGA aggregator O=C(CCl)Nc1ccc(Cl)c(Cl)c1Cl 3124326 SBKZGZXUOHBGOK-UHFFFAOYSA-N 272.946 3.824 50 50 CHGA C[C@@H](Br)C(=O)C12CC3CC(CC(C3)C1)C2 3864723 XABYMCZQJXPCLR-SEOMOHDOSA-N 271.198 3.555 50 50 CHGA COc1ccc(/C=C(/C#N)c2ccccc2F)cc1OC 16384015 ZCGNHYYIVZWSHI-LCYFTJDESA-N 283.302 3.907 50 50 CHGA COc1ccc(C(=O)[C@H](Cl)c2ccc(OC)cc2)cc1 3266454 SKMXKLIXWSDSGJ-OAHLLOKOSA-N 290.746 3.867 50 50 CHGA O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)ccc1O 100043509 YEHHRNDFXUQGET-UHFFFAOYSA-N 265.159 3.958 50 50 CHGA in-vitro Fc1ccc(CBr)c(F)c1OC(F)(F)F 604221518 HABVXRHERUPNTC-UHFFFAOYSA-N 291.013 3.758 50 50 CHGA O=C(CCl)Nc1nc(-c2ccc(Cl)cc2)cs1 162763 VZQNWGOICMITDH-UHFFFAOYSA-N 287.171 3.641 50 50 CHGA CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](CCl)O2)cc1 495093 YSVLBZCXZDBAJV-CABCVRRESA-N 282.811 3.897 50 50 CHGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccc1F 401135 VKCQKXRMYWTFCQ-KPKJPENVSA-N 267.259 3.619 50 50 CHGA O=C(CBr)c1cc(Cl)cc(Cl)c1 2576086 NVDAJLDRUMPXDY-UHFFFAOYSA-N 267.937 3.571 50 50 CHGA N#CC(=C=N)/C=C1\CCC(C=C(C#N)C#N)=C1c1ccccc1 685944588 CVHZHOCKGZKUQI-CAOOACKPSA-N 296.333 3.832 50 50 CHGA C[C@H]1CC(O[Si](C)(C)C)=C[C@@H]1CCC1(C)OCCO1 169833845 NYGMOPCUQBRRHE-STQMWFEESA-N 284.472 3.921 50 50 CHGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2F)cc1 436914 WTUIFAOSHKBYHZ-UDWIEESQSA-N 298.361 3.887 50 50 CHGA Cc1cc2nc(/C(C#N)=C/c3cccnc3)[nH]c2cc1C 4821304 RELRVNOQGMAFKO-RIYZIHGNSA-N 274.327 3.639 50 50 CHGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1 59230 DHSJROPFTIYQDU-DIZJOYMFSA-N 292.382 3.639 50 50 CHGA C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 273752 GFOIYFAXVSRWCL-LDADJPATSA-N 286.762 3.802 50 50 CHGA Cc1ccc(C)c(OCCCCBr)c1 36949679 OHPHBERMVIOTHU-UHFFFAOYSA-N 257.171 3.857 50 50 CHGA CC(C)(Oc1cc(Cl)ccc1Cl)C(=O)Cl 40451403 GJAJDJVWUDNMOZ-UHFFFAOYSA-N 267.539 3.916 50 50 CHGA in-vitro Cn1c2ccccc2c2cc(C(C#N)=C(C#N)C#N)ccc21 3123546 MQCJLWQPQIPGMU-UHFFFAOYSA-N 282.306 3.656 50 50 CHGA O=C(Cl)c1ccc(Cl)c(OC(F)F)c1Cl 263625169 XINYBYGXGBPWBD-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CCN1C(=C/C=C\C=C(C#N)C#N)N(CC)c2ccccc21 1082888970 ZULOWYAWCCAKRZ-YVMONPNESA-N 290.370 3.724 50 50 CHGA N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)O 190121 ARKRRTPKBQEWBJ-YFHOEESVSA-N 273.675 3.592 50 50 CHGA Fc1ccc(F)c(OC(F)(F)F)c1CBr 1083809812 MTFPSRAZEPEGFQ-UHFFFAOYSA-N 291.013 3.758 50 50 CHGA Cc1ccc([C@@]2(C)O[C@@H](CCl)CS2)c(C)c1 1766729 OIWKZJRHKUWGOS-AAEUAGOBSA-N 256.798 3.847 50 50 CHGA CC1=C(C#N)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 95628198 VLEZVELXWQAPHS-QGZVFWFLSA-N 292.382 3.814 50 50 CHGA O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2ccccc2o1 363395 SBZHSRVHNWQWKW-JXMROGBWSA-N 299.717 3.528 50 50 CHGA aggregator C[C@@H](Cl)OC(=O)Oc1cccc(C(F)(F)F)c1 3080898 IYGGZHHFTRUCMN-LURJTMIESA-N 268.618 3.806 50 50 CHGA Clc1ccc(CBr)c(Br)c1 66352290 KZIGUGMFQVNQFJ-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro CS[C@]1(O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]1CC2=O 169830135 UXMYRIPVSNRKFW-MJVIPROJSA-N 284.497 3.843 50 50 CHGA Cc1nn(-c2ccccc2)c2c1C(Cl)=C(C#N)CC2 2080385677 WZSXLZMJYVTSTC-UHFFFAOYSA-N 269.735 3.600 50 50 CHGA O=C(CCl)Nc1nc(-c2ccccc2Cl)cs1 1392096 SUXNSQAXQWMICL-UHFFFAOYSA-N 287.171 3.641 50 50 CHGA O=C(CCl)c1c[nH]c(/C=N/Nc2ccccc2Cl)c1 8873699 XRXQJMKAKRYOKW-CAOOACKPSA-N 296.157 3.536 50 50 CHGA CC[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Cl 40451355 ZLMHQAGTGONDPZ-SECBINFHSA-N 266.646 3.628 50 50 CHGA Cc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 12363834 IKXGGRKUYWOWSK-GDNBJRDFSA-N 264.284 3.967 50 50 CHGA O=C(Cl)c1cc(-c2cccnc2)nc2ccccc12 40451323 QTLVDUCHQAXSSY-UHFFFAOYSA-N 268.703 3.676 50 50 CHGA CCCc1sc(C(=O)Cl)cc1Br 40451426 QEMUVXWVKNPQJG-UHFFFAOYSA-N 267.575 3.842 50 50 CHGA CC1=CC[C@]23CCCCC[C@]2(C1)CS(=O)(=O)[C@@H]3Cl 101053825 RFORAPGFPZYQCW-IHRRRGAJSA-N 288.840 3.657 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@H]1C=C(Br)C(=O)C1 169837168 PIIFULRVBPPSJP-QMMMGPOBSA-N 291.261 3.628 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)N=C1O[C@H](CCl)CS1 2049286289 WOZMOUDIKWPRNW-KZWBYHQPSA-N 287.856 3.928 50 50 CHGA O=C(CBr)c1ccc(Cl)cc1Cl 336225 DASJDMQCPIDJIF-UHFFFAOYSA-N 267.937 3.571 50 50 CHGA in-vitro C[C@H](Br)C(=O)Nc1cc(Cl)cc(Cl)c1 82238051 RVGYVOMJXYSEEX-YFKPBYRVSA-N 296.979 3.715 50 50 CHGA Cc1ccccc1C(NC(=O)CCl)c1ccccc1C 1875377862 PMNCQZFYHLPIGE-UHFFFAOYSA-N 287.790 3.748 50 50 CHGA Cc1cccc(/C(C#N)=C/c2ccc3c(c2)OCO3)c1 401139 SCUFHCOWHJSFEG-OVCLIPMQSA-N 263.296 3.788 50 50 CHGA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Cl 33435439 IBENOOQTUVKWRF-YFKPBYRVSA-N 253.512 3.526 50 50 CHGA O=C(Cl)c1c(Cl)cc(Cl)cc1OC(F)F 263623794 KURATOCFKVFMAX-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CC(C)(C)OC(=O)Nc1cccc(CBr)c1 34310121 HQPYEVSQMSDBFG-UHFFFAOYSA-N 286.169 3.929 50 50 CHGA C/C(CCc1ccccc1)=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 245232486 WAUKWYJESPFVEF-NUFRWPQXSA-N 284.403 3.548 50 50 CHGA CN1C=CC(=CC2=CC(=C(C#N)C#N)c3ccccc32)C=C1 685944255 ACBLFKRPPIASKZ-UHFFFAOYSA-N 283.334 3.784 50 50 CHGA CCCCCCCC(=O)N/N=C/c1cccs1 2755996 DQFDDKOSLYHFRB-SDNWHVSQSA-N 252.383 3.559 50 50 CHGA CCCSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(O)=N1 4006022 ABNQOSOLNPDKTK-NSHDSACASA-N 289.404 3.925 50 50 CHGA CN(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 12339030 BLOQCELCRSCRAK-PTNGSMBKSA-N 293.326 3.725 50 50 CHGA CCCCCCC/C(C)=N/NC(=O)c1ccccc1O 102314186 DDKJYYXRWYGOHG-GHRIWEEISA-N 276.380 3.858 50 50 CHGA O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccccc1 32650063 SOMANLOUSXJWNX-DEKPZMAWSA-N 298.773 3.594 50 50 CHGA CC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@H]1SC#N 3172019 ADRROVQJQOYZMQ-OAHLLOKOSA-N 297.383 3.740 50 50 CHGA O=P(Cc1cccnc1)(c1ccccc1)c1ccccc1 106488817 ZHGWFCNILYXKSE-UHFFFAOYSA-N 293.306 3.596 50 50 CHGA C[C@@H](Cl)C(=O)N(Cc1ccccc1)c1ccccc1 37390974 FPPNEXHJXGEILG-CYBMUJFWSA-N 273.763 3.847 50 50 CHGA CCCCCCCCCC(=O)N/N=C/c1ccccc1O 1740016 MNLRFEJBPGQQGD-NBVRZTHBSA-N 290.407 3.983 50 50 CHGA CCN(/C=C(\C#N)C(=O)C(C)(C)C)c1ccccc1 2562122 VRQITRYTLRXCDT-OUKQBFOZSA-N 256.349 3.536 50 50 CHGA FC(F)(F)c1c(CBr)ccnc1Cl 238563851 SKHBTFHJDDJVCY-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA O=C(Cl)c1cc(Cl)c(OC(F)F)c(Cl)c1 263625401 ZOYPNOSPWLMOQO-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CC(C)(C)C(=O)C(C#N)=Cc1ccc(Cl)c([N+](=O)[O-])c1 2053515102 CPBYONAMSWENHC-UHFFFAOYSA-N 292.722 3.770 50 50 CHGA FC(F)(F)c1cccc(CCBr)c1 55230839 AZLYAPKPZBXCGX-UHFFFAOYSA-N 253.061 3.643 50 50 CHGA in-vitro BrCc1cccc(-c2noc(C3CCC3)n2)c1 725273524 JAQLWOBHVQUCTF-UHFFFAOYSA-N 293.164 3.899 50 50 CHGA Cc1cccc(COc2ccccc2C(=O)Cl)c1 40451505 XBCXZEBREXOXJN-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA [C-]#[N+][C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 100006688 UXCQPEDHCCJBNL-HNNXBMFYSA-N 289.331 3.526 50 50 CHGA in-vitro O=C(Cl)c1cc(F)c(Br)cc1Cl 2560289 IQFUAYKLNRHXJT-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA biogenic CC(C)(C)[Si](C)(C)O[C@H](C=O)c1ccccc1 195827750 YDSRFKLJZYYNOP-CYBMUJFWSA-N 250.414 3.948 50 50 CHGA Clc1ccc(CCBr)c(Cl)c1 57989243 BJTSTVKJPXWNIY-UHFFFAOYSA-N 253.954 3.931 50 50 CHGA N#C/C(=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 13546456 OKLONZWBFHWGCB-LCYFTJDESA-N 268.247 3.798 50 50 CHGA CCOC(=O)CC[C@H]1C=C(O[Si](C)(C)C)CCC1 169837282 ZDBIYPYXQWBGAN-LBPRGKRZSA-N 270.445 3.865 50 50 CHGA O=C(CNc1ccc(Cl)cc1)NN=C1CCCCCC1 225218 PSRLGVZFISHJIP-UHFFFAOYSA-N 293.798 3.578 50 50 CHGA FC(F)(F)c1nccc(CBr)c1Cl 238582467 NKIMMHKPCQMCBO-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA CC(/C=C/c1ccccc1F)=N/NC(=O)Cc1ccccc1 253470958 IXFPNVHDTROCNW-IICJTNPGSA-N 296.345 3.574 50 50 CHGA CCSC1=C(C#N)[C@H](CC(C)C)C2=C(CCCC2=O)N1 5110226 KUSDFDSYILOIIF-NSHDSACASA-N 290.432 3.747 50 50 CHGA Fc1ccc(C(F)(F)F)c(CBr)c1 2560184 MQZWBTRGSDOAIO-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA Cc1cc(C)c(C)c(OCCCBr)c1 34555081 SUCZVPOKKYPSET-UHFFFAOYSA-N 257.171 3.776 50 50 CHGA N#C/C(=C/c1ccccc1O)C(=O)Nc1ccc(Cl)cc1 16677429 OEZVPRVLOZGBCC-XFXZXTDPSA-N 298.729 3.591 50 50 CHGA Fc1cc(-c2nc(CCl)no2)cc(C(F)(F)F)c1 6667851 OVNSSFJPDBOWDE-UHFFFAOYSA-N 280.608 3.633 50 50 CHGA Cc1ccc(Cn2nc(C)c(N=C=S)c2C)cc1 2536596 MGFYGDCCYJWADQ-UHFFFAOYSA-N 257.362 3.591 50 50 CHGA Br[C@H]1c2ccccc2CC[C@H]1Br 2170673 LDIQOSRBJPAHHX-ZJUUUORDSA-N 289.998 3.832 50 50 CHGA Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 245204924 JLYXXMFPNIAWKQ-GNIYUCBRSA-N 290.832 3.644 50 50 CHGA fda C[C@H](Cl)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1875363497 FEXTZUYHAKVRPU-GXFFZTMASA-N 265.784 3.543 50 50 CHGA CC(C)COc1cc(OC(C)C)cc(C(=O)Cl)c1 526056048 IJPCPWLQHBEDOT-UHFFFAOYSA-N 270.756 3.888 50 50 CHGA CC(C)[Si](OC[C@@H]1CCC(=O)O1)(C(C)C)C(C)C 169834939 LJAJSNNKLUOKPV-ZDUSSCGKSA-N 272.461 3.884 50 50 CHGA COc1ccc(OCCCCCBr)cc1 2826135 VXKIFLBOJUNDGY-UHFFFAOYSA-N 273.170 3.639 50 50 CHGA N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1ccccc1 5515439 SBVGJXFYLSNMAI-GXDHUFHOSA-N 272.307 3.958 50 50 CHGA Cc1cc(Cl)c(C(=O)CBr)c(Cl)c1 263624544 RKBRMSWCYGURPE-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA O=C(CCl)Nc1cc(Cl)c(Cl)cc1Cl 1648953 GQRWKOPRUXSOBA-UHFFFAOYSA-N 272.946 3.824 50 50 CHGA Cc1cc(Cl)cc(C(=O)CBr)c1Cl 263622709 ADKLAHGVQGCVJA-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)Nc1ccccc1 63135 LXYULBFYHDEHCX-WOJGMQOQSA-N 292.342 3.632 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CC=C[S@]2=O 169835984 RXHSIINQQBLLBW-SUYBPPKGSA-N 286.513 3.966 50 50 CHGA N#CSCC(=O)N1c2ccccc2CCc2ccccc21 2287367 BWJPRMXKIWYPAB-UHFFFAOYSA-N 294.379 3.664 50 50 CHGA COc1ccc(-c2csc(C=C(C#N)C#N)c2)cc1 4541907 CNBCFSHSEAZEGG-UHFFFAOYSA-N 266.325 3.854 50 50 CHGA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CBr)O2 141111401 GCVRLXNOARFTDF-AWEZNQCLSA-N 299.208 3.796 50 50 CHGA CC1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(C)N1 19418540 JVBZMCLWKAGQDJ-UHFFFAOYSA-N 269.735 3.622 50 50 CHGA Cc1onc(-c2ccccc2Cl)c1C(=O)Cl 1574328 BPDBLWKFVXHGFT-UHFFFAOYSA-N 256.088 3.682 50 50 CHGA in-vitro Cc1cc2nc(/C(C#N)=C/c3ccncc3)[nH]c2cc1C 4809672 XUPIUNPCYNIZCO-NTEUORMPSA-N 274.327 3.639 50 50 CHGA Cc1ccc(C(F)(F)F)cc1CBr 2382318 ZQYDOVMTWZCBIH-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA CC(C)=CCCC1=CC[C@H](/C(C)=N/NC(N)=O)CC1 4728565 WHFWQOLTYRCHGU-IQGJIOQQSA-N 263.385 3.504 50 50 CHGA Fc1cc(Br)c(CBr)cc1F 71790082 GGZAHPYULZNIHT-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA N#C/C(=C\c1ccc2c(c1)OCO2)c1cccc(F)c1 401134 SBILMTRMWVYZQJ-AWNIVKPZSA-N 267.259 3.619 50 50 CHGA ClC(Cl)[C@H](Cl)[C@@H](Cl)C(Cl)Cl 1723225 SFLXALQSXXPXLU-JCYAYHJZSA-N 264.794 3.809 50 50 CHGA Cc1oc(-c2ccccc2)nc1CCCBr 38853895 YUMLAPYKZLJWFU-UHFFFAOYSA-N 280.165 3.978 50 50 CHGA O=C(c1ccc(Cl)cc1)[C@H](Br)C1CC1 498051113 SOTOZENXLQNZJM-SNVBAGLBSA-N 273.557 3.696 50 50 CHGA CO[C@@]1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1 116885524 WEKVUZKVUWJAFG-HNNXBMFYSA-N 264.752 3.882 50 50 CHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/C=C/c1ccccc1 245226926 SRCNOORJTMBYHL-VOGUFSGKSA-N 282.387 3.628 50 50 CHGA COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 6179331 PMXDXSCTVWQPEP-CSKARUKUSA-N 287.702 3.680 50 50 CHGA C[C@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CCl 1875376233 PNZYDXYYMUCKNU-SSDOTTSWSA-N 297.679 3.603 50 50 CHGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1 296584 XPLYMCMLTSOSBQ-UHFFFAOYSA-N 298.345 3.849 50 50 CHGA CCCCC1=N/C(=C\C#N)Sc2nc(C)ccc21 4996816 JXOIJRMWVMHMDH-MDWZMJQESA-N 257.362 3.840 50 50 CHGA CC(C)=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 291266 MRUJWQMPYZTXOT-KRWDZBQOSA-N 292.382 3.505 50 50 CHGA Cc1cc(N(CCCl)CCCl)ccc1N=O 4774343 JGHUXJOHWMMZFC-UHFFFAOYSA-N 261.152 3.677 50 50 CHGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cccc(F)c1 4702463 WDNILHOABAWSGD-LHBLNFFHSA-N 282.318 3.645 50 50 CHGA N#C/C(=C/c1ccc[nH]1)c1nc2ccccc2s1 4826025 ZOIYOOIRIOLEDZ-NTMALXAHSA-N 251.314 3.689 50 50 CHGA CC[C@H](Br)C(=O)Nc1ccc(C(C)C)cc1 2944788 IITUTNLTZIOBLZ-LBPRGKRZSA-N 284.197 3.922 50 50 CHGA CN(C)c1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1 16186315 LPBOIBXLODEIAU-BOPFTXTBSA-N 273.339 3.688 50 50 CHGA CN(C(=S)Cl)c1cc(Cl)cc(Cl)c1 2506766 AXLAYERKFWXJFD-UHFFFAOYSA-N 254.569 3.953 50 50 CHGA O=C(Cl)C(Cl)(c1ccccc1)c1ccccc1 1593283 NFHKZAUDRWRXMZ-UHFFFAOYSA-N 265.139 3.934 50 50 CHGA in-vitro COc1ccc(CO[Si](C)(C)C(C)(C)C)nc1OC 169794065 ANUDVRIMTVJPLR-UHFFFAOYSA-N 283.444 3.621 50 50 CHGA in-vitro Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)c(C)o1 228248 OHUJAFIHGAJYFM-YBFXNURJSA-N 292.338 3.814 50 50 CHGA CC(C)(C)OC(=O)c1cccc(CBr)c1 34327260 FWVVBSNKXPFYMT-UHFFFAOYSA-N 271.154 3.537 50 50 CHGA CC/C(C)=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1 5023696 LMOCRULTVNRWGI-CNOAHFENSA-N 284.812 3.723 50 50 CHGA CC(C)c1cc(C(=O)N/N=C/c2cccs2)cs1 2744010 XVGALJDEYANXFM-VGOFMYFVSA-N 278.402 3.697 50 50 CHGA O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1Cl 71772594 PKKHNGHTOLPCFK-RYUDHWBXSA-N 293.215 3.664 50 50 CHGA BrCCCCCCCBr 1686748 LVWSZGCVEZRFBT-UHFFFAOYSA-N 257.997 3.727 50 50 CHGA in-vitro Cc1ccc(C(=O)[C@@H](C)Br)cc1Cl 153246 RGMFWCVOMGKIJM-SSDOTTSWSA-N 261.546 3.615 50 50 CHGA CC(C)CCOC(=O)[C@@H](Br)c1ccccc1 2147154 CKPGTYLPMYKUDW-LBPRGKRZSA-N 285.181 3.712 50 50 CHGA O=C(c1cc(Cl)c(O)c(Cl)c1)C(Cl)Cl 101460873 OGUOATKKCBDMIN-UHFFFAOYSA-N 273.930 3.685 50 50 CHGA C[C@H](c1ccco1)N(Cc1ccccc1)C(=O)CCl 381480148 CQCSEKRGRRWDTB-GFCCVEGCSA-N 277.751 3.608 50 50 CHGA O=C(CCCl)Nc1cc(Cl)cc(Cl)c1 6505231 MKUPAZRVTYKCSF-UHFFFAOYSA-N 252.528 3.561 50 50 CHGA O=C(Cl)c1c(Cl)ccc(Cl)c1OC(F)F 263625310 YQGAXYJZZNCBCY-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA O=C(Oc1ccc(CBr)cc1)c1ccccc1 38981643 LQTUYTSNOWRKPB-UHFFFAOYSA-N 291.144 3.801 50 50 CHGA O=C=Nc1ccc(SC(F)(F)F)cc1Cl 2540223 VGVQCRCJNVYGKU-UHFFFAOYSA-N 253.632 3.919 50 50 CHGA CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@@H](Cl)CC[C@H]12 4765033 MBRKXOAKUNDRJZ-BFHYXJOUSA-N 276.763 3.793 50 50 CHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1Cl 245226623 GTJONIFXFDUNPR-BYKSNKSBSA-N 290.794 3.616 50 50 CHGA Cc1occc1C(=O)N/N=C/C(Cl)=C/c1ccccc1 228194 LGGYOCHHZUYXAR-HTJMLESZSA-N 288.734 3.584 50 50 CHGA ClCc1nc(Cc2ccc(Cl)c(Cl)c2)no1 50037942 NHDVUKIYOVWOLT-UHFFFAOYSA-N 277.538 3.706 50 50 CHGA Fc1ccc(CBr)c(F)c1C(F)(F)F 95836570 WXGJNEQJYXWCQZ-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA in-vitro Fc1c(N=C=S)ccc(Br)c1Cl 4313173 GQBMNHGUPIKZOP-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA N#CC(C#N)=C1C=C(Nc2ccccc2)c2ccccc21 685944602 PJDMYGOXTJFTNS-UHFFFAOYSA-N 269.307 3.954 50 50 CHGA C[C@H](/C=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1 5006371 CAIKMRQCYMFEBD-AYPRBGQRSA-N 291.354 3.687 50 50 CHGA Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@@H]12 104279471 JAAZITGSMWHCGF-DHRKEOQWSA-N 251.156 3.898 50 50 CHGA O=C(Cl)c1cc(F)c(Cl)c(Br)c1 263623520 IEVVWWQYTNQVEA-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA O=C(Cl)c1ccc(Br)cc1C(F)(F)F 34356358 SPIPCSMQAATVLA-UHFFFAOYSA-N 287.462 3.847 50 50 CHGA in-vitro C[C@H](Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3281057 DGGNMLQKEHSWQV-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA Cc1ccc(CBr)cc1C(F)(F)F 2382322 DEGVSFJBDJUTBP-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA COCc1ncc(CO[Si](C)(C)C(C)(C)C)s1 215985754 WGERGZDFSMHKGB-UHFFFAOYSA-N 273.474 3.811 50 50 CHGA CC1(C)OB(CCCCCBr)OC1(C)C 201136578 QDCZBOIUGIVTAR-UHFFFAOYSA-N 277.011 3.644 50 50 CHGA O=C(c1ccc(Cl)cc1Cl)C(Cl)Cl 1574317 LRXWJPURTZCTEH-UHFFFAOYSA-N 257.931 3.980 50 50 CHGA in-vitro N#C/C(=C\c1ccccn1)c1nc2ccccc2s1 4859565 GJGQVPXHUUNRPB-PKNBQFBNSA-N 263.325 3.755 50 50 CHGA Cc1ccc(/C=N/NC(=O)c2csc(C(C)C)c2)o1 2743407 SFTGZYOEHRNHNQ-VIZOYTHASA-N 276.361 3.537 50 50 CHGA O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1 63314 DLDRSMXMPCGGGU-CPNJWEJPSA-N 290.322 3.711 50 50 CHGA BrCCOCCOc1ccc2ccccc2c1 2380012 IGZPGSUGRAOKGD-UHFFFAOYSA-N 295.176 3.630 50 50 CHGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1 5093891 NLYCLZBPTYRQHO-JKCALDLGSA-N 294.398 3.845 50 50 CHGA Cc1c(F)cc(Cl)c(CBr)c1F 255188969 MWLGOHHQIMBNJX-UHFFFAOYSA-N 255.489 3.822 50 50 CHGA C[C@@H]1OC(C2(O)CCC2)=CC[C@H]1O[Si](C)(C)C(C)(C)C 169834000 KYVLAJFSGKCPRK-QWHCGFSZSA-N 298.499 3.985 50 50 CHGA S=c1[nH]nc(SSc2n[nH]c(=S)s2)s1 6505179 DJCISYVIXPWVHY-UHFFFAOYSA-N 298.490 3.514 50 50 CHGA Cc1cccc(C(F)(F)F)c1CBr 96029108 NAGHWPKWNMHIOT-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA O=C(CCCl)Nc1nc(-c2ccc(F)cc2)cs1 5676109 XCVNYEHTRQTOOB-UHFFFAOYSA-N 284.743 3.517 50 50 CHGA CC(C)(C)[Si](C)(C)OCCCCC#CCCO 169837230 LPOVWRRYOJAICF-UHFFFAOYSA-N 256.462 3.564 50 50 CHGA CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@H](Cl)CC[C@@H]12 58487224 MBRKXOAKUNDRJZ-HZSPNIEDSA-N 276.763 3.793 50 50 CHGA O=C(Cl)c1cc(C(F)(F)F)cc(Cl)c1F 2382179 WWXKIEVIKMYSCL-UHFFFAOYSA-N 261.001 3.877 50 50 CHGA in-vitro N#C/C(=C/c1ccc(Br)o1)c1ccc(C#N)cc1 16400527 AEVVKJUFRWKBOK-GHXNOFRVSA-N 299.127 3.978 50 50 CHGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(C)cc1 19833686 IWSAAYXMCJZICL-MRBSYODNSA-N 278.355 3.814 50 50 CHGA O=C(OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 100994421 NIHKFGMYMWGERR-UHFFFAOYSA-N 295.121 3.991 50 50 CHGA C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccnc1 4611173 WGBQYGMZXDCICU-DEDYPNTBSA-N 295.386 3.533 50 50 CHGA COc1ccc(C(=O)[C@H](Br)CC(C)C)cc1 71772361 LHNNMWLCWUEDOQ-GFCCVEGCSA-N 285.181 3.688 50 50 CHGA CC(C)(C)OC(=O)Nc1ccc(CBr)cc1 74938126 UOFFCPRGVVQWTL-UHFFFAOYSA-N 286.169 3.929 50 50 CHGA in-vitro O=C1OC(=O)[C@@]23CC=CC[C@]12CCCCCCCCC3 101047867 WYJYJBYSQCUUHQ-IAGOWNOFSA-N 276.376 3.917 50 50 CHGA COc1cncc(CO[Si](C)(C)C(C)(C)C)c1 169794055 QZZNOAMEUXEYKS-UHFFFAOYSA-N 253.418 3.612 50 50 CHGA in-vitro FC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 115774763 MKXYCTAVBJZNLQ-UHFFFAOYSA-N 295.317 3.908 50 50 CHGA O=C([C@H](F)Cl)N1CC2(CCCC2)c2cccc(F)c21 2325898478 FNHSMPCBTXMQOU-LBPRGKRZSA-N 285.721 3.519 50 50 CHGA CCOC(=O)[C@@H]1[C@H](C(C)C)CC[C@]1(C)CBr 43762246 VGNSFKOKZZHPSN-GMXVVIOVSA-N 291.229 3.633 50 50 CHGA Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)s1 4453110 JTYKDXRADVCINF-DHZHZOJOSA-N 265.341 3.997 50 50 CHGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)cs1 3997959 PZDYZOBOEJSNRW-KPKJPENVSA-N 297.339 3.993 50 50 CHGA Clc1ccc(OCCCI)cc1 2383457 HVVWUBWHLIPSCS-UHFFFAOYSA-N 296.535 3.544 50 50 CHGA in-vitro ClC[C@H]1CN(c2ccccc2)[C@@H](c2ccccc2)O1 71772665 ZPFDYYPRWQDRTQ-JKSUJKDBSA-N 273.763 3.829 50 50 CHGA CC(C)c1cccc(NC(=O)[C@@H](C)Br)c1 232749491 UBQZERXPULYOEH-SECBINFHSA-N 270.170 3.532 50 50 CHGA Cc1ccccc1P(c1ccccc1)c1ccccc1 100011287 MLBZLJCMHFCTQM-UHFFFAOYSA-N 276.319 3.753 50 50 CHGA C[C@H](Oc1ccc(Br)cc1Cl)C(=O)Cl 40451334 HHUKKTDKFVCCRU-YFKPBYRVSA-N 297.963 3.635 50 50 CHGA O=[N+]([O-])c1ccc(OCP(=O)(CCl)CCl)cc1 446935 BNLOCOUQGSLCEC-UHFFFAOYSA-N 298.062 3.687 50 50 CHGA Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1C 4825519 QIBQQWAAABRWCX-NVNXTCNLSA-N 254.308 3.845 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 4135531 SHZAKAMMDOHBMT-SDNWHVSQSA-N 288.354 3.693 50 50 CHGA Cc1ccc2nc(NC(=O)CCCCl)sc2c1 1777507 QJXUAWDVHBTVPF-UHFFFAOYSA-N 268.769 3.562 50 50 CHGA C=CCN(CC=C)C(=O)[C@H](Cl)c1ccccc1Cl 71772560 UJPBGMAZTYYBMI-CYBMUJFWSA-N 284.186 3.821 50 50 CHGA Clc1c(Br)cccc1CBr 114697475 FJJLMWJGHJAMKW-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro O=CC1=C(Sc2nc3ccccc3o2)CCCC1 3885097 LUKPJXMBISIERV-UHFFFAOYSA-N 259.330 3.947 50 50 CHGA O=C(CCl)c1cc(Cl)c(F)cc1Br 263624925 VFRAPITVLBYMQP-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA O=C(Cl)c1ccccc1OCCc1ccccc1 585662127 HLPUVXWFOMYREJ-UHFFFAOYSA-N 260.720 3.687 50 50 CHGA O=C(Nc1ccc(Cl)cc1Cl)OCCCl 2171703 WKOIMDVPGQZLRB-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA FC(F)(F)C(F)(F)C(F)(F)CCBr 80440240 GFUYTQGIFLALGN-UHFFFAOYSA-N 276.977 3.604 50 50 CHGA FC(F)(F)c1nc(Cl)ccc1CBr 238581353 XGCWHLNLMIWWNH-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA Cc1ccccc1COc1cccc(C(=O)Cl)c1 40451534 WPQJSQCTJKIFIS-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA N#C/C(=C\c1csc(-c2ccco2)n1)c1ccccn1 209231544 ZRBIIAPNBLKFLH-DHZHZOJOSA-N 279.324 3.862 50 50 CHGA O=C(NC1CCCCC1)c1cccc(CBr)c1 5816382 UBGUIQWHJGHALR-UHFFFAOYSA-N 296.208 3.644 50 50 CHGA CCOCN(C(=O)CCl)c1c(C)cc(CC)cc1CC 2332879101 QODNLCLWNUAAJX-UHFFFAOYSA-N 297.826 3.686 50 50 CHGA N#CC(NC(=O)c1cccc2ccccc12)=C(Cl)Cl 170623754 VEFAZJDZTWVYMZ-UHFFFAOYSA-N 291.137 3.740 50 50 CHGA C/[S+]=C1\SS[C@@H]2[C@H]1c1cc(C)ccc1NC2(C)C 4531893 JGEIKYVCGQCNAX-VXGBXAGGSA-N 296.506 3.889 50 50 CHGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 298742 URGURNRGRDMWSL-UDWIEESQSA-N 298.361 3.887 50 50 CHGA O=C(Cl)c1c(Cl)ccc(OC(F)F)c1Cl 263624186 ODOSCZIKGBTXAG-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CCCCCc1ccc(C(=O)CBr)cc1 2559152 AVYNDJWQMUOSJZ-UHFFFAOYSA-N 269.182 3.997 50 50 CHGA CCCCC/C(=N\NC(=O)c1ccncc1)c1ccccc1 4990196 SXFGWRXAAZVEHZ-LVZFUZTISA-N 295.386 3.796 50 50 CHGA N#CC1=C[C@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12 101048930 GJCULNQCRITVIK-IYSWYEEDSA-N 253.198 3.668 50 50 CHGA O=[S@](O)c1cccc(S(F)(F)(F)(F)F)c1 675062068 CDGADHHQHNGPKY-UHFFFAOYSA-N 268.228 3.925 50 50 CHGA CCCCOP(c1ccccc1)c1ccccc1 2146755 VMUAFIWZWXGPGP-UHFFFAOYSA-N 258.301 3.851 50 50 CHGA in-vitro ClCCN(Cc1ccccc1)Cc1ccccc1 55343161 GSLWSSUWNCJILM-UHFFFAOYSA-N 259.780 3.928 50 50 CHGA in-vitro CSC1=[S+]S[C@H]2[C@H]1c1cc(C)ccc1NC2(C)C 6267734 JGEIKYVCGQCNAX-NEPJUHHUSA-N 296.506 3.889 50 50 CHGA N#C/C(=C/c1ccc2c(c1)OCO2)c1cccc(F)c1 4826787 SBILMTRMWVYZQJ-MLPAPPSSSA-N 267.259 3.619 50 50 CHGA N#C/C(=C(/O)c1cccc(F)c1)c1nc2ccccc2[nH]1 100830973 DQXZLUJPLSXMPV-QINSGFPZSA-N 279.274 3.652 50 50 CHGA N#CC1=C(NC2=CC(=O)CCC2)S[C@H]2CCCCC[C@H]12 8643144 RSHLGBJZAINWFA-HIFRSBDPSA-N 288.416 3.644 50 50 CHGA CCOC(=O)/C(C#N)=C1\C(Cl)=C(Cl)c2ccccc21 12412158 ZYBQEGUGXAZEMY-KHPPLWFESA-N 294.137 3.687 50 50 CHGA O=C(Cl)c1cc(F)c(Br)c(Cl)c1 263625064 WKCIRDFKZKVNAA-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CC(C)[C@@H]1CC[C@]2(C)C[C@@H](Br)C(=O)C[C@@H]12 71786630 IVZROOBBCNNYGU-MEWQQHAOSA-N 273.214 3.801 50 50 CHGA FC(F)(F)Cc1ccc(CBr)cc1 72265655 ALCNRQAKSCIUHM-UHFFFAOYSA-N 253.061 3.686 50 50 CHGA in-vitro CC(C)(C)c1ccc(-c2noc(CCl)n2)cc1 162922 ZLQQUIHBQATFOP-UHFFFAOYSA-N 250.729 3.773 50 50 CHGA in-vitro CN1C=CC=C/C1=C\C1=CC(=C(C#N)C#N)CC(C)(C)C1 685944610 XMIMLBGEDUCDEJ-RQZCQDPDSA-N 277.371 3.976 50 50 CHGA Cc1ccc(OCCCCCBr)cc1 22780366 LHYNMTUJSGGSRK-UHFFFAOYSA-N 257.171 3.939 50 50 CHGA CCCCCCN1C=CC=C/C1=C\C=C(C#N)C#N 13119747 NAINCYHPYCPJEE-MHWRWJLKSA-N 253.349 3.810 50 50 CHGA O=C1C(CCl)(CCl)CCCC1(CCl)CCl 3130436 AQIAZQNYXUJNNC-UHFFFAOYSA-N 292.033 3.667 50 50 CHGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccs1 4525119 MDLXHMVCWLLFLT-OQLLNIDSSA-N 278.764 3.556 50 50 CHGA CCSC1=C(C#N)[C@@H](CC(C)C)C2=C(CCCC2=O)N1 5110441 KUSDFDSYILOIIF-LLVKDONJSA-N 290.432 3.747 50 50 CHGA Cc1ccc([N+](=O)[O-])c2c1[C@H](Br)C(C)(C)O2 4105240 BZSZGSHPPQPRBX-JTQLQIEISA-N 286.125 3.510 50 50 CHGA O=C(Cl)c1cc2ccccc2cc1C(=O)Cl 100106242 FRUFZAAMHBICBW-UHFFFAOYSA-N 253.084 3.598 50 50 CHGA BrCCOc1ccc2ccccc2c1 2024202 NKALVESVNGTFHZ-UHFFFAOYSA-N 251.123 3.614 50 50 CHGA in-vitro Br[C@H]1CCCCCC[C@H]1Br 1723677 BOESCCYXMLOHNO-OCAPTIKFSA-N 270.008 3.868 50 50 CHGA CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 63310 HWOTXRMPHUIYFC-NTCAYCPXSA-N 294.354 3.722 50 50 CHGA C[C@H]1CC(C)(C)N(C(=O)CSC#N)c2ccccc21 9939177 BUFYYHODUKCGCP-NSHDSACASA-N 274.389 3.520 50 50 CHGA O=C(Cl)c1ccc(Cl)c(OC(F)(F)F)c1 39712936 LDCDQZTVJVDRGB-UHFFFAOYSA-N 259.010 3.618 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2ccccc12 433230 OOKHSZQGFNODNE-DJKKODMXSA-N 297.745 3.585 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CCC(=O)O2 169836772 GUDITXHONUOLMK-RISCZKNCSA-N 270.445 3.637 50 50 CHGA C/C(=C\[C@H](C)C[C@@H](C)CC(C)C)[C@H]1CC(=O)OC1=O 256008334 WBRBLKRDTHYRRV-IJJYDZAQSA-N 266.381 3.731 50 50 CHGA O=C(CCCl)Nc1cccc(Cl)c1Cl 5670396 GNCQMOIXLVEQHF-UHFFFAOYSA-N 252.528 3.561 50 50 CHGA NC(=O)N/N=C1\CCCC[C@H]1c1ccc2ccccc2c1 4532637 LGTHDHCMZNCWKH-NXSRCCIVSA-N 281.359 3.522 50 50 CHGA ClC(Cl)C(Cl)(Cl)C(Cl)Cl 2579136 HVCSXHFGNRDDQR-UHFFFAOYSA-N 250.767 3.768 50 50 CHGA O=C(CCl)Nc1ccc(Oc2ccccc2)cc1 163091 PHUZNDQAFGNCRQ-UHFFFAOYSA-N 261.708 3.656 50 50 CHGA CCOC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 2550078 HUIIAGDFTJLEAY-RVDMUPIBSA-N 293.322 3.949 50 50 CHGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cccs1 232485 WUZLARIANLIRCO-CAOOACKPSA-N 298.289 3.531 50 50 CHGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)O 190118 ARKRRTPKBQEWBJ-JXMROGBWSA-N 273.675 3.592 50 50 CHGA CCCCOc1ccc(/C=C(/C#N)C(=N)S)cc1 2472055 RLZGDHAMHQNNAY-XFXZXTDPSA-N 260.362 3.680 50 50 CHGA N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 434418 VRZWEWXYPAZZOP-XFXZXTDPSA-N 298.729 3.591 50 50 CHGA Fc1cc(C(F)(F)F)ccc1CBr 2600090 MQUCRCQNRDHRPL-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA N#C/C(=C\c1cccc(Br)c1)c1ccccn1 4547679 RMIGKXADRCKCJN-XYOKQWHBSA-N 285.144 3.908 50 50 CHGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 74941465 OPGCHVJYXDQBRZ-SECBINFHSA-N 296.823 3.845 50 50 CHGA O=C(Cl)c1c(OC(F)F)ccc(Cl)c1Cl 263622966 CLSFEIKZRNXPRU-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA COc1ccc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1 4546358 SUWRPNIMTABAFN-UVTDQMKNSA-N 280.283 3.668 50 50 CHGA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N(C)C(=O)CCl 1875374160 CUIRIMZUQXOBMC-AWEZNQCLSA-N 290.794 3.551 50 50 CHGA O=C(NC[C@]1(Cc2ccccc2)C=CCCC1)[C@@H](F)Cl 2325897992 OXZYLBPLIGWCNO-GDBMZVCRSA-N 295.785 3.606 50 50 CHGA CCC[C@H](C)C[C@H](C)/C=C(\C)C[C@@H]1CC(=O)OC1=O 108961739 RYDRJNGBRZDNMR-OBVFRDKPSA-N 266.381 3.875 50 50 CHGA CC[C@H](Br)C(=O)c1ccc(C)cc1C 57665994 IVZRDASCYVLRFC-NSHDSACASA-N 255.155 3.660 50 50 CHGA in-vitro O=C(Cc1ccccc1)N/N=C/c1cccc2ccccc12 298585 YVVZBOVYCGFUMB-XSFVSMFZSA-N 288.350 3.533 50 50 CHGA CC1=C(C#N)CCC(=O)N1Cc1ccc(Cl)cc1Cl 169174 BMZDBVJWORRVFW-UHFFFAOYSA-N 295.169 3.913 50 50 CHGA C[C@H](NC(=O)[C@@H](F)Cl)c1nc(-c2ccccc2)cs1 1875361987 KUIQAJLKQXLKRF-GZMMTYOYSA-N 298.770 3.522 50 50 CHGA COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1Cl 25694794 BMIZEFROVJRODX-UHFFFAOYSA-N 299.761 3.631 50 50 CHGA Cc1ccc(C(F)(F)F)c(CBr)c1 71867252 DCECDRXXOHBVSH-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA CC(C)(C)[Si](C)(C)OCC1CCC(CO)CC1 195941488 DWUPTNCOHZJANV-UHFFFAOYSA-N 258.478 3.807 50 50 CHGA in-vitro CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@@H](C)Cl 1875364119 FBWXABDYZFYQLD-LLVKDONJSA-N 291.782 3.697 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12C=CCO2 169834337 YVNRTQQBMAJHIJ-OCCSQVGLSA-N 254.446 3.886 50 50 CHGA Cc1cccc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c1 4840388 HQLDAVYRSHXTAH-DHDCSXOGSA-N 264.284 3.967 50 50 CHGA Fc1ccc(OC(F)(F)F)cc1CBr 2527813 KOISGBFWQAPLFE-UHFFFAOYSA-N 273.023 3.619 50 50 CHGA in-vitro C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Cl 33435436 ONQSXERGNKDILF-RXMQYKEDSA-N 253.512 3.526 50 50 CHGA Cc1cc(Br)c(Cl)cc1NC(=O)CCl 606298711 ULULWNDVNYPOCZ-UHFFFAOYSA-N 296.979 3.588 50 50 CHGA CC(C)N(C(=O)[C@@H](C)Cl)c1cnc2ccccc2c1 1875377337 CHWAIKGHHORINS-LLVKDONJSA-N 276.767 3.604 50 50 CHGA CC(C)c1cc(Br)ccc1NC(=O)CCl 5911521 FUMHQYLGVPJCRL-UHFFFAOYSA-N 290.588 3.750 50 50 CHGA COc1cc2ccccc2cc1C(=O)NN=C1CCCCC1 4949064 UNJLDRRYTJAADF-UHFFFAOYSA-N 296.370 3.898 50 50 CHGA Cc1c(Cl)cc(C(=O)CBr)cc1Cl 263624053 NAHPMTBIEBZPEP-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA O=C(O)[C@@H](CCCBr)c1ccc(Cl)cc1 16697067 ZIXCXSPCIYPZKF-JTQLQIEISA-N 291.572 3.683 50 50 CHGA in-vitro O=C=NCCCCCCCCCCCCN=C=O 59451250 GFNDFCFPJQPVQL-UHFFFAOYSA-N 252.358 3.559 50 50 CHGA COc1cc(OC)c(Cl)c(CBr)c1Cl 307114967 TVJPTOKPOUDFGK-UHFFFAOYSA-N 299.979 3.906 50 50 CHGA C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Cl 33435440 MQZACNBEDMLXBQ-RXMQYKEDSA-N 253.512 3.526 50 50 CHGA O=C(Cl)Cc1ccc(OCc2ccccc2)cc1 2568302 GZAGJMNAVUCWGM-UHFFFAOYSA-N 260.720 3.574 50 50 CHGA in-vitro O=C(CBr)c1c(Cl)cc(F)cc1Cl 263622798 AYYMOCXFLUFYLQ-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA Cn1cccc1/C=C(/C#N)c1ccc(Br)cc1 16275575 FUSUYFKHHZKRQP-XFXZXTDPSA-N 287.160 3.852 50 50 CHGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1 4409259 DHSJROPFTIYQDU-TZGKDVFTSA-N 292.382 3.639 50 50 CHGA C[C@@H](Cl)C(=O)Nc1c(Cl)cccc1Cl 8264195 IBMAPKQNFTUQJD-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA in-vitro COc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1OC 16393279 GTDYCXZBLQQKEC-ZROIWOOFSA-N 283.302 3.907 50 50 CHGA C[C@H](Cl)C(=O)N(Cc1ccoc1)C1CCCCC1 1875364103 INZCUAHBAOPUIS-NSHDSACASA-N 269.772 3.568 50 50 CHGA COc1cccc(C(=O)Cl)c1OCc1ccccc1C 40451472 PSIWQPJZNFTUHS-UHFFFAOYSA-N 290.746 3.962 50 50 CHGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 4409254 DHSJROPFTIYQDU-JXOOJWAFSA-N 292.382 3.639 50 50 CHGA CCOC(=O)c1c(N=C=S)sc2c1CCCCC2 5979940 NZNGZPCQJQVDMS-UHFFFAOYSA-N 281.402 3.928 50 50 CHGA COc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1 342765 QZCCXTWDADOENP-UHFFFAOYSA-N 290.322 3.705 50 50 CHGA COc1cccc(/C=C(/C#N)c2ccc(F)cc2)c1 401120 OAUQHPCJAPBMOI-ZROIWOOFSA-N 253.276 3.898 50 50 CHGA N#CCC(=O)NN=C1CCCCCCCCCCC1 440630 WHVBRTLFSDWUFA-UHFFFAOYSA-N 263.385 3.677 50 50 CHGA N#CC(C#N)=Cc1ccc(OCc2ccccc2)cc1 104328 GBQGNEMSQIQFRK-UHFFFAOYSA-N 260.296 3.696 50 50 CHGA N#C/C(=C\c1ccco1)c1nc2ccccc2s1 4498340 DBIXCVADFDLNNY-CSKARUKUSA-N 252.298 3.953 50 50 CHGA COc1ccc(OC)c(/C=C(\C#N)c2ccccc2)c1 405846 WLAGJFNKKJZPFZ-XNTDXEJSSA-N 265.312 3.768 50 50 CHGA CC(=C\c1ccco1)/C=C(\C#N)C(=O)Nc1ccccc1 4652213 FMYWFXAEBJDPND-CKNIOMRDSA-N 278.311 3.772 50 50 CHGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(F)cc3)nc2c1 4755051 IWRPAPRYFKGKAY-WQLSENKSSA-N 293.301 3.775 50 50 CHGA CCCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1 6636251 BBXKFEVQAZHJEP-KAMYIIQDSA-N 271.360 3.998 50 50 CHGA Cc1ccc2nc(/C(C#N)=C/c3cccc(O)c3)[nH]c2c1 4150135 DTWVMZIOWGJAQU-MDWZMJQESA-N 275.311 3.641 50 50 CHGA O=C(Cl)c1cccc(OCc2cccc(F)c2)c1 40451535 QUSNUASSXBGNKO-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA BrCC1CCC(CBr)CC1 100172189 MYALOPJJAPLQSJ-UHFFFAOYSA-N 270.008 3.583 50 50 CHGA CC1=C(C#N)C(c2cccc(Cl)c2)C(C#N)=C(C)N1 19418542 XUMXCMKPKNRPAE-UHFFFAOYSA-N 269.735 3.622 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C=CCO2 169834317 YVNRTQQBMAJHIJ-JSGCOSHPSA-N 254.446 3.886 50 50 CHGA O=C(CCCCl)NOCc1ccc(Cl)cc1Cl 3128570 YPKKTHWOCGMPFL-UHFFFAOYSA-N 296.581 3.560 50 50 CHGA ClCc1ccc(OCCN2CCCCCC2)cc1 22016793 FGCIQSBZGOVNLI-UHFFFAOYSA-N 267.800 3.680 50 50 CHGA C=CCN(CC=C)C(=O)[C@@H](Cl)c1ccccc1Cl 71772562 UJPBGMAZTYYBMI-ZDUSSCGKSA-N 284.186 3.821 50 50 CHGA O=[N+]([O-])c1ccc(S(F)(F)(F)(F)F)cc1O 100641959 FVDVAGIMBHJLDU-UHFFFAOYSA-N 265.159 3.958 50 50 CHGA Cc1ccc(C(=O)[C@H](C)Br)cc1Cl 153247 RGMFWCVOMGKIJM-ZETCQYMHSA-N 261.546 3.615 50 50 CHGA O=C(CNc1cccc2ccccc12)NN=C1CCCCC1 4359521 ILWDMQWJKFNRNH-UHFFFAOYSA-N 295.386 3.688 50 50 CHGA CC(C)Cc1ccc(C(=O)[C@H](C)Br)cc1 163394 SVGMFVCPJFHTRE-JTQLQIEISA-N 269.182 3.851 50 50 CHGA in-vitro CC1=C(C#N)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19898973 PIYSWQNGPBJWPC-OAHLLOKOSA-N 298.411 3.876 50 50 CHGA COc1ccc(COc2ccc(C=C(C#N)C#N)cc2)cc1 409488 MMPMHXYAPNKZTI-UHFFFAOYSA-N 290.322 3.705 50 50 CHGA COC(=C(C#N)C#N)c1ccc(Oc2ccccc2)cc1 113299286 IRVRZQLHMPWLLY-UHFFFAOYSA-N 276.295 3.884 50 50 CHGA Cl[C@H]1[C@@H]2[C@H]([C@H]3C=C[C@H]2c2ccccc23)[C@H]1Cl 254790904 JAAZITGSMWHCGF-LQSBQDLSSA-N 251.156 3.898 50 50 CHGA Cc1cccc(-c2noc(C(C)(C)CCl)n2)c1 165921 UEOJXHYWZDQSGH-UHFFFAOYSA-N 250.729 3.561 50 50 CHGA CCCCCCCCC(=O)N/N=C(\C)c1ccco1 8385043 TWKOUHMHBVKVFO-DTQAZKPQSA-N 264.369 3.870 50 50 CHGA CCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1 102301044 ZAFHDVCBEQYVNL-NBVRZTHBSA-N 290.407 3.983 50 50 CHGA Fc1ccc(CBr)cc1C(F)(F)F 2600094 JVQDTRQMKZMBAU-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA in-vitro Cc1ccsc1/C=C(\C#N)c1nc2ccccc2[nH]1 3899705 QDQGWXRECGCOCE-DHZHZOJOSA-N 265.341 3.997 50 50 CHGA COc1ccc2cc(CCCl)c(Cl)nc2c1 4137096 PTQQTMBBFHOZTL-UHFFFAOYSA-N 256.132 3.678 50 50 CHGA CN(c1ccccc1)c1ccccc1NC(=O)[C@@H](F)Cl 2325898046 QOGCDTWXCKLIQL-CQSZACIVSA-N 292.741 3.927 50 50 CHGA N#CC(C#N)=Cc1cccn1-c1ccc(Br)cc1 1407069 CUWHAFGEFKQKAH-UHFFFAOYSA-N 298.143 3.670 50 50 CHGA Fc1ccc(CBr)c(C(F)(F)F)c1 2600093 JMNOONULDANZRZ-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 134338 VZZTVXVRLVXZDA-GXDHUFHOSA-N 281.311 3.725 50 50 CHGA Fc1cc(Cl)cc(Br)c1N=C=S 15444475 BVGUPECNNRDPLU-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA CC(C)(C)OC(=O)NCCO[Si](C)(C)C(C)(C)C 195920548 ONLZZERSZRZSOX-UHFFFAOYSA-N 275.465 3.533 50 50 CHGA O=C(NN=C1CCCCC1)Nc1ccccc1Cl 6040373 PGIKYBYPGWYCAC-UHFFFAOYSA-N 265.744 3.782 50 50 CHGA Fc1c(CBr)cccc1OC(F)(F)F 36533789 YCLRETLTIMECAI-UHFFFAOYSA-N 273.023 3.619 50 50 CHGA in-vitro N#C/C(=C\c1cccs1)c1nc2ccccc2[nH]1 4301938 MDVSLHGZTWHJMW-CSKARUKUSA-N 251.314 3.689 50 50 CHGA FC(F)(F)[C@@H](Cl)C(Cl)(Cl)C(F)(F)F 63148430 XBUDYFCAECAPKM-SFOWXEAESA-N 269.399 3.892 50 50 CHGA C/C(=N\NC(N)=O)[C@@]1(C)CC2=C(CCCC2(C)C)C[C@@H]1C 5003894 YGNLIPKRIHPDIM-RATOZPITSA-N 291.439 3.974 50 50 CHGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 12375724 WWCOVEKFRJZIDP-UVTDQMKNSA-N 250.257 3.659 50 50 CHGA O=C(F)c1ccc(Oc2ccc(C(=O)F)cc2)cc1 101011951 FWRBEVKUPQLBTC-UHFFFAOYSA-N 262.211 3.698 50 50 CHGA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](Cl)C(=O)[C@@H]3C[C@@H]12 71786651 FDDVVWXZWWNTSO-IROTVPAZSA-N 254.801 3.891 50 50 CHGA Cc1scc(C(=O)N/N=C/c2ccccc2Cl)c1C 372682 NNSTZPDRWVVGSF-FRKPEAEDSA-N 292.791 3.782 50 50 CHGA CCCCCCCC(=O)N/N=C(/C)c1cccs1 100382030 JPPYSXGYBIWKJI-QINSGFPZSA-N 266.410 3.949 50 50 CHGA FC(F)(F)c1ccc(Br)c(CCl)n1 238569553 PSMUAQQIOXVHAN-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA ClCc1nc(-c2cccnc2Oc2ccccc2)no1 526055977 QHNPDVWOJQIZSA-UHFFFAOYSA-N 287.706 3.663 50 50 CHGA Fc1cc(CBr)cc(C(F)(F)F)c1 2600092 LCVWAXYGYMZJER-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA in-vitro C/C(Nc1ccc(C)cc1)=C(\C#N)C(=O)NC1CCCCC1 4117473 MJGJVGBXRFICBS-VKAVYKQESA-N 297.402 3.653 50 50 CHGA N#CC(C#N)=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 274027 MZTVRMLKBLTTMY-UHFFFAOYSA-N 299.673 3.939 50 50 CHGA C/C(CC(C)C)=N\NC(=O)Nc1ccccc1Cl 17024648 PPPVJCGTSGQEMC-MHWRWJLKSA-N 267.760 3.884 50 50 CHGA O=C(CCl)c1cc2c(c3c1CCCC3)CCCC2 40546117 VCSVAEZFYZKSMS-UHFFFAOYSA-N 262.780 3.866 50 50 CHGA O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2CCCl 2870823 RXUWDAUVBMJFGZ-UHFFFAOYSA-N 274.707 3.942 50 50 CHGA C/[S+]=C1\SS[C@@H]2[C@@H]1c1cc(C)ccc1NC2(C)C 4531895 JGEIKYVCGQCNAX-NWDGAFQWSA-N 296.506 3.889 50 50 CHGA C[C@@H]1CCc2nc(/C(C#N)=C\c3ccco3)sc2C1 4754945 NSQMHCJFQLLVBO-UBYNWHESSA-N 270.357 3.925 50 50 CHGA Cc1cccc(C)c1NC(=O)NN=Cc1ccccc1F 252677934 BGTNAGJBMGGTLQ-UHFFFAOYSA-N 285.322 3.598 50 50 CHGA C[C@@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 58845024 ZXBPRRZJYAWFHW-RXMQYKEDSA-N 296.979 3.715 50 50 CHGA C[C@H](Br)C(=O)Nc1cc(Cl)ccc1Cl 58853879 LCHCVEXHWWFVNH-YFKPBYRVSA-N 296.979 3.715 50 50 CHGA COc1cccc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c1 4546342 KIQFLWURQBVMMI-ZSOIEALJSA-N 280.283 3.668 50 50 CHGA O=C(CCl)c1c(F)cc(Br)cc1Cl 263623583 ISLRVYHOLPMOPF-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA COc1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1 3157335 ZLMFVYKPWZYOHO-CQSZACIVSA-N 275.735 3.614 50 50 CHGA CC(C)(C)c1ccc(CC[C@H]2OC[C@H](CCl)O2)cc1 495095 YSVLBZCXZDBAJV-GJZGRUSLSA-N 282.811 3.897 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 498258 KUBURENDIYLFFZ-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)cc1 195849359 FOSJKFHVBPZYIE-UHFFFAOYSA-N 252.386 3.769 50 50 CHGA Fc1ccc(CBr)c(F)c1Br 258839626 WEDGOCNIGNBUFQ-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA O=C(NN=C1CCC(c2ccccc2)CC1)c1ccncc1 439859 SXRURQINUSFHGF-UHFFFAOYSA-N 293.370 3.525 50 50 CHGA Cc1cccc([C@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387145 QVSGONMDHLKFLP-QGZVFWFLSA-N 299.801 3.708 50 50 CHGA CC(C)c1ccccc1NC(=O)[C@H](C)Br 41672510 MQKWFWXREOIPHO-VIFPVBQESA-N 270.170 3.532 50 50 CHGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(N)=S 75916 ZWRLBTCGNQBLLV-JXMROGBWSA-N 288.759 3.793 50 50 CHGA Cc1cccc(C)c1OCCCCBr 22780388 PYLQSRCWHWIDEA-UHFFFAOYSA-N 257.171 3.857 50 50 CHGA CC(C)(C)OC(=O)c1ccc(CBr)cc1 2540669 GSIBTIUXYYFCPU-UHFFFAOYSA-N 271.154 3.537 50 50 CHGA in-vitro CCOc1ccc(CBr)cc1C(F)(F)F 70953409 GAZKSECNCUGHQP-UHFFFAOYSA-N 283.087 3.999 50 50 CHGA O=C(Cl)c1c(F)cc(Br)cc1Cl 263624138 NTQQAPBWEUSLKZ-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)O)cc2)cc1 5794258 CTTFFZFVIVRXNB-MHWRWJLKSA-N 293.322 3.566 50 50 CHGA Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 4454003 NRCCRFCRDDVDSV-GXDHUFHOSA-N 259.312 3.936 50 50 CHGA COc1ccc(C(=O)[C@@H](Br)CC(C)C)cc1 71772360 LHNNMWLCWUEDOQ-LBPRGKRZSA-N 285.181 3.688 50 50 CHGA COc1ccc(C(F)(F)F)c(CBr)c1 95831100 LHSPNSPWAGNDDW-UHFFFAOYSA-N 269.060 3.609 50 50 CHGA in-vitro C/C(=N\NC(=O)c1cc(C)oc1C)c1ccccc1Cl 231054 YHEKUFKJXNLQHF-LICLKQGHSA-N 290.750 3.704 50 50 CHGA O=C(N/N=C/c1cccc2ccccc12)C1CCCCC1 510993 HNCHAJABAQZZOL-CPNJWEJPSA-N 280.371 3.870 50 50 CHGA C/C(=N\NC(=O)c1cccs1)c1cc2ccccc2o1 372544 MBNHUYPQURAGQW-MHWRWJLKSA-N 284.340 3.648 50 50 CHGA O=C(COc1ccc2ccccc2c1)NN=C1CCCCC1 260162 SKWUXAXILUOAKN-UHFFFAOYSA-N 296.370 3.655 50 50 CHGA Cc1cc(Cc2ccc(N=C=O)c(C)c2)ccc1N=C=O 1736683 DTZHXCBUWSTOPO-UHFFFAOYSA-N 278.311 3.829 50 50 CHGA CCC/C(=N/NC(=O)c1ccc(OC)cc1)c1ccccc1 4829309 YJYSVESPJKJTFM-ZPHPHTNESA-N 296.370 3.629 50 50 CHGA CCc1nc(SCSC#N)c(C#N)c2c1CCCC2 5586081 NSPLQHMBYADGDR-UHFFFAOYSA-N 289.429 3.658 50 50 CHGA O=C(Cl)c1ccc(OCCc2ccccc2)cc1 40457177 KLLLZNAMDISNRS-UHFFFAOYSA-N 260.720 3.687 50 50 CHGA CCCCc1ccc(NC(=O)[C@@H](C)Br)cc1 58839138 WGBRXFHINNCRAC-SNVBAGLBSA-N 284.197 3.751 50 50 CHGA CC(C)(CCl)C(=O)Nc1cccc(Br)c1 2569402 XZXWKWMZGAXZAT-UHFFFAOYSA-N 290.588 3.653 50 50 CHGA [C-]#[N+][C@@H](c1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 100192695 QOEGZIMRMSXLIL-OAHLLOKOSA-N 289.331 3.526 50 50 CHGA in-vitro CCCC1CCC(N(C(=O)CCl)C(C)C)CC1 1323270367 XLBMWUVQLMDNQG-UHFFFAOYSA-N 259.821 3.821 50 50 CHGA CCOC(=O)c1ccc(-c2ccc(C(=O)Cl)o2)cc1 2578561 OPOPFTSILPZGEL-UHFFFAOYSA-N 278.691 3.502 50 50 CHGA Cc1cc(Cl)cc(Cl)c1C(=O)CBr 263623753 KLGPLPWGASQAON-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1C 5028076 YFNXXIKHBFKZME-NVNXTCNLSA-N 281.315 3.614 50 50 CHGA COc1ccc(/C=C(/C#N)c2ccc(OC)cc2)cc1 12367908 GGSJIARERFIGST-PTNGSMBKSA-N 265.312 3.768 50 50 CHGA C/C(=N\NC(=O)c1ccccc1Cl)c1cccs1 4567390 DRZNGBWMJWFFDA-OQLLNIDSSA-N 278.764 3.556 50 50 CHGA O=C(O)c1ccccc1SC(F)(F)[C@@H](F)Cl 2163663 LMLDHWKPMRYAPE-MRVPVSSYSA-N 270.659 3.604 50 50 CHGA CCc1ccc(/C=N/NC(=O)c2csc(C)c2C)s1 373153 UWUPXUARXFOMDU-VIZOYTHASA-N 292.429 3.753 50 50 CHGA CC(=C=CC(C)(C)/C=N/NC(N)=O)CCC=C(C)C 2106723 AVWYELAWIMYOIQ-GZTJUZNOSA-N 263.385 3.515 50 50 CHGA biogenic N#CC(C#N)=C(O)c1ccc(Oc2ccccc2)cc1 113303256 MWTPPIZIKZHMSK-UHFFFAOYSA-N 262.268 3.795 50 50 CHGA Fc1cc(Cl)c(N=C=S)c(Br)c1 15444477 RUHRYERCZVKHQJ-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA N#C/C(=C\c1ccc(F)cc1)c1nc(O)c2ccccc2n1 8665842 PDRKIOWUNKORCL-FMIVXFBMSA-N 291.285 3.539 50 50 CHGA CCCC[C@@H](Br)C(=O)c1ccc(OC)cc1 34573319 GAQLVKVMOILKSF-GFCCVEGCSA-N 285.181 3.832 50 50 CHGA N#CC(C(=O)NC1CCCCC1)=C1CCCCCC1 482969 WLNKMRBZQTUXJR-UHFFFAOYSA-N 260.381 3.610 50 50 CHGA O=C(Cl)c1ccccc1OCc1cccc(F)c1 40451500 PIUMOIIPLSBTSL-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA CC(C)(C)c1cc(N=C=S)n(-c2ccccc2)n1 73632025 WVSXENYLSBPBQE-UHFFFAOYSA-N 257.362 3.904 50 50 CHGA C[C@H]1C[C@@H]2[C@H](C=C1[C@@]1(O)C=CCC[C@@H]1Cl)C2(C)C 43762794 RKVQKDTUOCCBFJ-QDQIGWGISA-N 266.812 3.913 50 50 CHGA CC[C@@H](Br)C(=O)Nc1cccc2ccccc12 61487522 VKSOBXXIMGPWDB-GFCCVEGCSA-N 292.176 3.952 50 50 CHGA Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 3267900 GTGODNLPJFFPBB-AWEZNQCLSA-N 259.736 3.914 50 50 CHGA in-vitro Fc1cccc(CBr)c1C(F)(F)F 2382261 HTWOLWSZQAPKQA-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA COc1cccc2c(Cl)c(CCCl)c(C)nc12 4072880 SMBVDPXPBHJOGJ-UHFFFAOYSA-N 270.159 3.987 50 50 CHGA C[C@H](Cl)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1875364511 SZKVWEFGNLASLO-NOLJZWGESA-N 277.795 3.542 50 50 CHGA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl 2169435 XJCUKCOLGJDGGN-UHFFFAOYSA-N 274.078 3.822 50 50 CHGA in-vitro O=C1Cc2ccc(S(F)(F)(F)(F)F)cc2N1 103865826 PVWNUDFNSZUVMR-UHFFFAOYSA-N 259.199 3.839 50 50 CHGA CC(=O)N(c1ccc(C)cc1)c1nc(CCl)cs1 162511 HXAJBOJONYEPHY-UHFFFAOYSA-N 280.780 3.875 50 50 CHGA Cc1cccc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c1 4838126 XTZPFSQOXWJNOQ-GDNBJRDFSA-N 264.284 3.967 50 50 CHGA BrCc1ccc(-c2nccs2)cc1 114043098 JGCPJOLWXGXZNQ-UHFFFAOYSA-N 254.152 3.705 50 50 CHGA NC(=O)N/N=C1\CCCC[C@@H]1c1ccc2ccccc2c1 4532638 LGTHDHCMZNCWKH-ZBQKJFDRSA-N 281.359 3.522 50 50 CHGA N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 16393773 BQNJPDZWLINEAP-NVNXTCNLSA-N 275.267 3.531 50 50 CHGA COc1ccc(/C=C(/C#N)c2cccc(C)c2)cc1[N+](=O)[O-] 4840023 QMFHSIJSJIHRLE-DHDCSXOGSA-N 294.310 3.976 50 50 CHGA Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 100899052 JLYXXMFPNIAWKQ-SHFUYGGZSA-N 290.832 3.644 50 50 CHGA in-vitro O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1 297664 GFWJHBARCDITEQ-RQZCQDPDSA-N 293.153 3.757 50 50 CHGA CC(C)Cc1ccc(C(=O)[C@@H](C)Br)cc1 163392 SVGMFVCPJFHTRE-SNVBAGLBSA-N 269.182 3.851 50 50 CHGA in-vitro O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCCCC1 511001 VUEQRBPAMCJWEI-XDHOZWIPSA-N 296.370 3.576 50 50 CHGA Cc1cc(OC(F)(F)F)ccc1CBr 2382233 DIVAXDGCLDCEEX-UHFFFAOYSA-N 269.060 3.789 50 50 CHGA CC[C@@H](Br)C(=O)Nc1ccc(F)c(Cl)c1 32919926 HABHQHUFXFSFGI-SSDOTTSWSA-N 294.551 3.591 50 50 CHGA Cc1nc(C(Cl)Cl)nc2cc(-c3ccccc3)nn12 1775977381 YFSDDOAHAYRFMJ-UHFFFAOYSA-N 293.157 3.576 50 50 CHGA Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1 3998014 UGTDUEOTAMIIAD-IZZDOVSWSA-N 256.330 3.986 50 50 CHGA CCSc1ncc(/C=C(\C#N)c2ccc(OC)cc2)n1C 4002609 LEUTWQPBJCVGIX-UKTHLTGXSA-N 299.399 3.605 50 50 CHGA CCCCc1ccc(NC(=O)[C@H](C)Br)cc1 58839140 WGBRXFHINNCRAC-JTQLQIEISA-N 284.197 3.751 50 50 CHGA [C-]#[N+][C@@H](C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 100000489 BGVZZOZWXDWACP-OAHLLOKOSA-N 277.389 3.594 50 50 CHGA CC(C)Cc1cc(N=C=S)n(-c2ccccc2)n1 71792220 WPKLMADAQPOHJU-UHFFFAOYSA-N 257.362 3.805 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1 286661 ATTPIGIYGNSENT-PPDJXAKQSA-N 298.773 3.594 50 50 CHGA FC(F)(F)C1(c2ccc(CBr)cc2)N=N1 34510320 BCFUQXOZHPIAPS-UHFFFAOYSA-N 279.059 3.762 50 50 CHGA in-vitro CS[C@@]1(O[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]1CC2=O 169830137 UXMYRIPVSNRKFW-COPLHBTASA-N 284.497 3.843 50 50 CHGA Clc1ccc(Br)c(CBr)c1 59901768 UTKGZXVMMFBCJC-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro Fc1cc(F)c(C(F)(F)F)cc1CBr 259431630 LXQOUUTWBTWLAB-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA C[C@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl 3257948 PSIZZOYREZKCCO-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA CN(C)c1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1 16399965 RFEJMKDVVUJCAF-PTNGSMBKSA-N 266.319 3.956 50 50 CHGA O=C(Nc1ccc2[nH]c3c(c2c1)CCCCC3)[C@H](F)Cl 2325901658 RARDOWPJYLQHAW-AWEZNQCLSA-N 294.757 3.910 50 50 CHGA N#C/C(=C\C=C\c1ccccc1)c1nc2ccccc2c(=O)[nH]1 13424553 AVDMCGNSNMIEBS-UJHPFZFGSA-N 299.333 3.543 50 50 CHGA FC(F)(F)c1cc(CCl)c(Br)cn1 95616339 TXULUSKMHNQRTB-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA in-vitro O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccs1 40879 CGZLYDWQNPQBEA-CAOOACKPSA-N 298.289 3.531 50 50 CHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cl 40451290 IWZFTCOTMJBHFC-NSHDSACASA-N 260.720 3.886 50 50 CHGA Fc1ccc(C(F)(F)F)cc1CBr 2600091 BYRMZRWUEAESEZ-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA O=C(CCl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 5446381 YGNXSJPOWXWYHU-MRXNPFEDSA-N 298.773 3.603 50 50 CHGA CCOC(=O)C(C)(C)CCCCCBr 113275427 SYRIIFZUZOIRNU-UHFFFAOYSA-N 265.191 3.531 50 50 CHGA Cc1ccc2c(c1)c(C(=O)[C@H](C)Br)c(C)n2C 64038127 GINRVUQOFVPGKU-VIFPVBQESA-N 294.192 3.761 50 50 CHGA O=C(Cl)c1cc(Cl)c(OC(F)F)cc1Cl 263624201 OHWJZHMOIVUYBF-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CN(c1ccccc1)c1ccccc1NC(=O)[C@H](F)Cl 2325898045 QOGCDTWXCKLIQL-AWEZNQCLSA-N 292.741 3.927 50 50 CHGA CC[C@@H](Br)C(=O)Nc1ccc(C(C)C)cc1 266471 IITUTNLTZIOBLZ-GFCCVEGCSA-N 284.197 3.922 50 50 CHGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 105213573 GOOORYDGQVACNL-QYWJXTSOSA-N 295.386 3.710 50 50 CHGA C[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)CCl 381480154 CQCSEKRGRRWDTB-LBPRGKRZSA-N 277.751 3.608 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(F)cc1 253976 JLMXLPRUDUOIJS-UDWIEESQSA-N 292.313 3.743 50 50 CHGA CC1=C(C#N)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19898972 PIYSWQNGPBJWPC-HNNXBMFYSA-N 298.411 3.876 50 50 CHGA Cc1ccc(S(=O)(=O)Nc2ccccc2CCl)cc1 86614265 AFQARFNXLJBLFN-UHFFFAOYSA-N 295.791 3.535 50 50 CHGA Fc1cc(C(F)(F)F)cc(F)c1CBr 169795575 WZOUPBFISGAUPS-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA CCCCCCCC[C@H](Br)C(=O)O 1657282 KNLOTZNPRIFUAR-VIFPVBQESA-N 251.164 3.585 50 50 CHGA in-vitro Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2O)c1C 5028698 UHVWTYWMFJKJOF-GDNBJRDFSA-N 292.338 3.555 50 50 CHGA CCCCCC(=O)N/N=C/c1ccc(OCCCC)cc1 3001479 ILZDRJJBGWKYSO-NBVRZTHBSA-N 290.407 3.896 50 50 CHGA CN(C)c1ccc(/C=C(/C#N)c2cccc(F)c2)cc1 16425193 BXRRXWLGBINIFJ-GDNBJRDFSA-N 266.319 3.956 50 50 CHGA COc1ccccc1/C=C(/C#N)c1cccc(C#N)c1 16474894 QVDNTKRHBFGZMO-YBEGLDIGSA-N 260.296 3.631 50 50 CHGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccs1 228047 PMPNTQLDUQTGSX-VIZOYTHASA-N 299.182 3.819 50 50 CHGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccs1 253348 JHMIEBZNKSUSJX-VIZOYTHASA-N 299.182 3.819 50 50 CHGA O=C(Nc1cc(Cl)cc(Cl)c1)OCCCl 1590171 SVWSZECXBGWSPN-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1977548 AXUOAWQBOYGHIV-MDWZMJQESA-N 295.254 3.567 50 50 CHGA O=C1Cc2cc(S(F)(F)(F)(F)F)ccc2N1 103865353 UTJFKEQDICBPJF-UHFFFAOYSA-N 259.199 3.839 50 50 CHGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 4807806 OXXUNOOSDLLHBC-JYRVWZFOSA-N 268.247 3.798 50 50 CHGA CCCCCCC[C@@H](Br)C(=O)OCC 100295496 QARKIRQNOLQDFJ-SNVBAGLBSA-N 265.191 3.674 50 50 CHGA CC(C)c1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799764 ZWPXJNOUHGQGIC-UHFFFAOYSA-N 283.158 3.710 50 50 CHGA CC(C)Oc1ccc(Br)cc1C(=O)Cl 40451518 QKKMFJLBNVQRLA-UHFFFAOYSA-N 277.545 3.615 50 50 CHGA N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1 4498364 JESQZERTWSMDEP-VQHVLOKHSA-N 297.295 3.862 50 50 CHGA CC(C)=NNC(=O)c1sc2ccccc2c1Cl 175539 HYEMSURYONEQQO-UHFFFAOYSA-N 266.753 3.680 50 50 CHGA Cc1occc1C(=O)N/N=C/c1c(Cl)cccc1Cl 228186 FPULTYUJBNNMHE-FRKPEAEDSA-N 297.141 3.659 50 50 CHGA O=C(OCc1ccccc1)[C@H](Cl)c1ccccc1 2167174 MUVYSAMUJCAUPE-CQSZACIVSA-N 260.720 3.710 50 50 CHGA CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 442088 IKQDYQGUNZNQGO-LFIBNONCSA-N 294.354 3.564 50 50 CHGA Cc1occc1C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 67440 UPZGQEBQJIEBOI-WOJGMQOQSA-N 284.359 3.649 50 50 CHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1 260365 JBLZZOWNBREDHK-VXLYETTFSA-N 297.745 3.585 50 50 CHGA CCc1cc(C(=O)N/N=C/c2ccc(CC)s2)cs1 2755041 FQEITODSENAFPH-OVCLIPMQSA-N 292.429 3.698 50 50 CHGA O=C(Nc1ccccc1F)[C@H](Cl)c1ccccc1 36719900 CBSQOJIMCDSNKK-CYBMUJFWSA-N 263.699 3.744 50 50 CHGA BrCc1nc(-c2ccccc2)cs1 40442550 MYRGZTAFPPWJGI-UHFFFAOYSA-N 254.152 3.705 50 50 CHGA CCCC(CCC)=NNC(=O)c1ccc(C)c([N+](=O)[O-])c1 5456012 MRZVGIVRJAPNGM-UHFFFAOYSA-N 291.351 3.589 50 50 CHGA CCCc1cc(C(=O)N/N=C/C=C/c2ccco2)cs1 2785367 FIHFAWAREBNQDY-HLMILFRRSA-N 288.372 3.723 50 50 CHGA C[C@H](Cl)C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1875364507 SZKVWEFGNLASLO-DUVNUKRYSA-N 277.795 3.542 50 50 CHGA CC(/C=N/NC(=O)c1cc(C)oc1C)=C\c1ccccc1 72615 PLRWPXYXIJQSFV-SOWMPKKWSA-N 282.343 3.716 50 50 CHGA CC(C)c1cccc(NC(=O)[C@H](C)Br)c1 232749783 UBQZERXPULYOEH-VIFPVBQESA-N 270.170 3.532 50 50 CHGA O=C(CCl)Nc1ccc(Cl)c(C(F)(F)F)c1 3165707 SFFFBHOVGWZKNP-UHFFFAOYSA-N 272.053 3.536 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)N=C1O[C@@H](CCl)CS1 2049286290 WOZMOUDIKWPRNW-RMIALFOJSA-N 287.856 3.928 50 50 CHGA CC(C)c1cccc(C(C)C)c1NC(=O)NN(C)C 2172125 OJXLPZILRBJYGJ-UHFFFAOYSA-N 263.385 3.532 50 50 CHGA CC(=O)c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 37391188 OAZITOFUWOFKDO-OAHLLOKOSA-N 287.746 3.808 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1 100309858 KUCIEBARWOMZNS-DDMUGZQBSA-N 284.403 3.696 50 50 CHGA Cc1ccc(P(c2ccccc2)c2ccccc2)cc1 59904947 QJIMTLTYXBDJFC-UHFFFAOYSA-N 276.319 3.753 50 50 CHGA C[C@@H]([C]1[CH][CH][CH][CH]1)P(c1ccccc1)c1ccccc1 103673632 LUBDMUBLCGZGSP-INIZCTEOSA-N 277.327 3.913 50 50 CHGA O=C(N/N=C/c1ccccc1F)c1csc2ccccc12 355728 DEUSFRVOBIAPSE-GIJQJNRQSA-N 298.342 3.804 50 50 CHGA Cc1ccccc1COc1ccc(C(=O)Cl)cc1 40451486 OXHBRXKBKOSTJS-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA CCCCCCCCCC(=O)N/N=C/c1cccnc1 1739048 FYJMVCCIZUIZLG-NBVRZTHBSA-N 275.396 3.672 50 50 CHGA [C-]#[N+][C@H](c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 100192434 LQZNUAYEVVHGQW-HNNXBMFYSA-N 289.331 3.526 50 50 CHGA Clc1ccc(CC[C@@H](Cl)Cn2ccnc2)cc1 54967667 PJMMKIMXEKRAAT-CYBMUJFWSA-N 269.175 3.777 50 50 CHGA in-vitro COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 1095110 MLZHPXBSCIXIDP-DHZHZOJOSA-N 287.702 3.680 50 50 CHGA Cc1ccc2c(c1)c1c(n2CCCl)C(=O)CCC1 333610 DLABXIZAGHPRGS-UHFFFAOYSA-N 261.752 3.708 50 50 CHGA BrCc1ccc(OCc2ccccc2)cn1 86795003 MMYWCFNOYMDOQH-UHFFFAOYSA-N 278.149 3.556 50 50 CHGA Cc1cc(C(=O)CCl)c(C)n1-c1ccccc1F 3315926 OCOFOOWEECNXQQ-UHFFFAOYSA-N 265.715 3.655 50 50 CHGA in-vitro CCc1cccc(CC)c1NC(=O)C(Cl)Cl 75242 UWSSKYADLNGQSY-UHFFFAOYSA-N 260.164 3.554 50 50 CHGA C#CCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1 4809643 LSSPAVIZUVKSGH-RVDMUPIBSA-N 299.333 3.639 50 50 CHGA CCCCCCCCCC(=O)N/N=C/c1ccco1 1739043 ASRJAFUOYGYENZ-DTQAZKPQSA-N 264.369 3.870 50 50 CHGA Oc1cccc(SSc2cccc(O)c2)c1 2243468 XBNOMKROXZGMFW-UHFFFAOYSA-N 250.344 3.897 50 50 CHGA in-vitro C[C@H](Cl)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1875364505 SZKVWEFGNLASLO-BJJXKVORSA-N 277.795 3.542 50 50 CHGA ClC[C@@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1 13152566 WVLPOLIDXIHVBY-ABKIBANOSA-N 285.840 3.682 50 50 CHGA ClCc1cc(I)ccc1Cl 79069455 FTEZTINTXWCTDQ-UHFFFAOYSA-N 286.927 3.683 50 50 CHGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(Cl)cc1 1754208 OMJCWOSAEIQPHZ-ZTKKEOLVSA-N 284.746 3.769 50 50 CHGA Clc1cc(CBr)c2ccccc2n1 1766347 RHANOADKGPRUKT-UHFFFAOYSA-N 256.530 3.783 50 50 CHGA in-vitro CCCCCCCCCCOc1ccc(C(=O)NN)cc1 2571288 CWFQHMINPXLVER-UHFFFAOYSA-N 292.423 3.810 50 50 CHGA Fc1cccc(C(F)(F)F)c1CBr 2572147 RINUERVPFANASB-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA in-vitro Cc1cc2nc(C(Cl)Cl)nc(-c3ccccc3)n2n1 1775975667 JXJWFMAZCMOEGH-UHFFFAOYSA-N 293.157 3.576 50 50 CHGA O=C(O)CCCCCCCCCBr 2560494 PGVRSPIEZYGOAD-UHFFFAOYSA-N 251.164 3.587 50 50 CHGA in-vitro O=C(c1ccc(Cl)cc1)c1ccc(CCl)o1 1431525 YXCLIDOSACDVOL-UHFFFAOYSA-N 255.100 3.903 50 50 CHGA Cc1ccccc1/C=C(/C#N)c1nc(O)c2ccccc2n1 3947310 WAPREJGTTDUAIN-UVTDQMKNSA-N 287.322 3.708 50 50 CHGA C/C(=N\NC(N)=O)[C@]1(C)CC2=C(CCCC2(C)C)C[C@H]1C 5003892 YGNLIPKRIHPDIM-TZCGGTEVSA-N 291.439 3.974 50 50 CHGA COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(F)c1 5028278 DITWRZAUVSMNGX-XYOKQWHBSA-N 293.301 3.775 50 50 CHGA ClCc1nnc(-c2cccnc2Oc2ccccc2)o1 63772340 NUOGKNPHHBHKAV-UHFFFAOYSA-N 287.706 3.663 50 50 CHGA COc1cccc(NC(=O)C(C#N)=C2CCC(C)CC2)c1 6263599 IKAKGAJLAFNDPG-UHFFFAOYSA-N 284.359 3.664 50 50 CHGA CC(C)(C)OC(=O)NN=C1C[C@H]2CC[C@@]1(C)C2(C)C 252428737 XVMNNVQZLRQYIP-MEBBXXQBSA-N 266.385 3.713 50 50 CHGA O=C(c1ccc(Cl)cc1)[C@@H](Br)C1CC1 498051112 SOTOZENXLQNZJM-JTQLQIEISA-N 273.557 3.696 50 50 CHGA O=C(CBr)c1ccc(F)c2ccccc12 1628168 ZNXQKCHZJABDHO-UHFFFAOYSA-N 267.097 3.557 50 50 CHGA C[C@H](Cl)C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 1875364510 SZKVWEFGNLASLO-JGGQBBKZSA-N 277.795 3.542 50 50 CHGA CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Cl 40451375 JEPKCMXXWQNEFO-LBPRGKRZSA-N 254.757 3.907 50 50 CHGA O=C(Cl)CSc1ccnc2cc(Cl)ccc12 263624879 UWKUTFVTEXNUPB-UHFFFAOYSA-N 272.156 3.746 50 50 CHGA CC(/C=N/NC(=O)c1cccs1)=C\c1ccccc1 13556220 UZZQSMWNJQJJKG-SKZWUVKFSA-N 270.357 3.567 50 50 CHGA CC(C)(C)OC(=O)NCCCCCCCBr 34221180 VKBIPAHIGAUNSX-UHFFFAOYSA-N 294.233 3.857 50 50 CHGA in-vitro O=S(=O)(Cc1ccccc1)[C@H](Cl)c1ccccc1 1702023 SJMMZFZYGOFEGI-AWEZNQCLSA-N 280.776 3.539 50 50 CHGA C/C(CC(C)(C)c1ccc(C)o1)=N\NC(=O)c1ccco1 4949542 QDGBKPUUOMAOIO-GZTJUZNOSA-N 288.347 3.655 50 50 CHGA CC[C@@H](Br)C(=O)Nc1c(C)cc(C)cc1C 32919689 KDDUDDQUHKRRBN-LLVKDONJSA-N 284.197 3.724 50 50 CHGA O=C(CCl)c1cc(Br)c(Cl)cc1F 263624198 OHANJDBQBVDBAV-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA Cc1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1Cl 446158 NEWBBWSMUGOAND-NTUHNPAUSA-N 297.745 3.589 50 50 CHGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12 101820842 KFIUXNZZXXZIDB-VYDGDALYSA-N 292.382 3.992 50 50 CHGA N#C/C(=C\c1ccncc1)c1nc2ccccc2s1 3894036 FCXZLKYKVRYTIB-FMIVXFBMSA-N 263.325 3.755 50 50 CHGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccsc2)c1 5654394 HNAYWWUGFDXOOU-JYRVWZFOSA-N 298.367 3.692 50 50 CHGA COc1ccc(/C=C(/C#N)c2cccc(F)c2)c(OC)c1 16425327 JYZOHUVGNITMAA-ZSOIEALJSA-N 283.302 3.907 50 50 CHGA N#CC1=C(S)NC(c2ccccc2)=C[C@@H]1c1ccco1 100314392 YXKDZBUFYYNKNN-LBPRGKRZSA-N 280.352 3.672 50 50 CHGA CN1C=CC(=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)C=C1 685944318 JXSMOHVZVYHDDL-UHFFFAOYSA-N 277.371 3.976 50 50 CHGA O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 8585889 AUHHYELHRWCWEZ-UHFFFAOYSA-N 285.897 3.611 50 50 CHGA in-vitro CCOC(=O)/C(C#N)=C(\C)c1ccc(Cl)cc1Cl 186426 YKPQOEILZHVXET-DHZHZOJOSA-N 284.142 3.854 50 50 CHGA COCCn1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C 16425816 NDAUGNHXJMSJDM-YVLHZVERSA-N 298.361 3.955 50 50 CHGA O=P(c1ccccc1)(c1ccccc1)N1C=CC=CC=C1 101037876 GTCJOVYAIYRRCP-UHFFFAOYSA-N 293.306 3.815 50 50 CHGA COC(=O)c1c(N=C=S)sc2c1CCCCCC2 6145336 RWSOHHLCOWETST-UHFFFAOYSA-N 281.402 3.928 50 50 CHGA O=C(CCl)N[C@H]1C=C(c2ccc(Cl)cc2)CCC1 1875379873 YRGMYEXISQCPGF-CYBMUJFWSA-N 284.186 3.631 50 50 CHGA O=C(N[C@H](c1ccccc1)C(Cl)Cl)c1ccccc1 4957892 HDVBJGQOFYHRNZ-CYBMUJFWSA-N 294.181 3.961 50 50 CHGA N#C[C@H](c1ccccc1)N(C(=O)CCCl)c1ccccc1 2027537 OPJZMDBJVNGBNX-MRXNPFEDSA-N 298.773 3.913 50 50 CHGA Cn1c(/C(C#N)=C/c2ccc(F)cc2)nc2ccccc21 3899785 GKUGNGNRLZPHOB-JLHYYAGUSA-N 277.302 3.777 50 50 CHGA CCCc1c(C(=O)Cl)cnn1-c1ccc(Cl)cc1 2555789 YLYXUXZCBMWGQV-UHFFFAOYSA-N 283.158 3.857 50 50 CHGA CSc1ccc(/C=N/NC(=O)c2sccc2C)cc1 371397 HDJBACDAFGUXRA-OQLLNIDSSA-N 290.413 3.542 50 50 CHGA COc1ccc(Br)cc1C(C)(C)CCl 3106130 KFOOXLHRNQVOAX-UHFFFAOYSA-N 277.589 3.974 50 50 CHGA COC(=O)c1sc(C(C)(C)C)cc1N=C=S 526056079 OYIHEGLGTAQTKD-UHFFFAOYSA-N 255.364 3.567 50 50 CHGA O=[N+]([O-])c1ccc([C@@H](Br)C(F)(F)F)cc1 604221814 PCSJGOCYMGKERD-SSDOTTSWSA-N 284.031 3.593 50 50 CHGA Cc1cc(O)ccc1N/C=C(\C#N)c1nc2ccccc2o1 2026304 WHSLKNWOKZYCRQ-ZRDIBKRKSA-N 291.310 3.818 50 50 CHGA O=C(Cl)c1ccc(OCc2ccc(F)cc2)cc1 40451441 LHZZLEMRDYVKIM-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA C[C@H](Br)C(=O)Nc1ccc(Cl)cc1Cl 28226 BEXSXCPWORZLPN-YFKPBYRVSA-N 296.979 3.715 50 50 CHGA CCOc1cc(CCl)c(OCC)cc1CCl 1622053 PXKGXXCANCSLDC-UHFFFAOYSA-N 263.164 3.962 50 50 CHGA O=C(c1ccc(Cl)cc1)[C@H](Br)CCCl 6092737 FJDWOHFEUUFTDH-SECBINFHSA-N 295.991 3.915 50 50 CHGA OCCCCCCCCCCCBr 1672959 XFGANBYCJWQYBI-UHFFFAOYSA-N 251.208 3.885 50 50 CHGA O=C(C[C@H](Cl)C(=O)c1ccccc1)c1ccccc1 2146767 QIXMGGCRIXCOHY-AWEZNQCLSA-N 272.731 3.750 50 50 CHGA CC(C)(C)OC(=O)n1cc(CCl)c2cc(F)cnc21 95707204 FDMNDXALNSVBNJ-UHFFFAOYSA-N 284.718 3.697 50 50 CHGA Fc1cc(F)c(CBr)c(Br)c1 169795567 ILRBEZOMTPWAPY-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA CCCc1cc(C(=O)N/N=C/c2sccc2C)cs1 374112 WCWRHLZCMJXRNS-OVCLIPMQSA-N 292.429 3.834 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 130802 QLFZUBRIBYCDAI-LDADJPATSA-N 266.344 3.574 50 50 CHGA C/C(=N\NC(=O)Nc1ccccc1)c1ccc(C)cc1 294495 OOBSQOAYNWUUDX-QGOAFFKASA-N 267.332 3.541 50 50 CHGA O=[N+]([O-])c1cc(CBr)ccc1C(F)(F)F 94986225 SKRDWOWZDLGNCO-UHFFFAOYSA-N 284.031 3.509 50 50 CHGA in-vitro FC(F)(F)c1nccc(CCl)c1Br 238582541 GVHXVSREPPYQNG-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)Cl 40451405 VTYXCOYXRKCHHE-UHFFFAOYSA-N 267.539 3.916 50 50 CHGA C=CCCP(=O)(c1ccccc1)c1ccccc1 3124710 VVDZMIIKUNRIJW-UHFFFAOYSA-N 256.285 3.577 50 50 CHGA CC[C@H](Br)C(=O)c1ccc(Cl)cc1 34761075 BYOSXLUJIZHWMJ-VIFPVBQESA-N 261.546 3.696 50 50 CHGA in-vitro CCCOc1ccc(Br)cc1C(=O)Cl 39319149 FGCMHJFRMWGUMK-UHFFFAOYSA-N 277.545 3.617 50 50 CHGA CC(C)[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 253471178 NKPZZVDGWCCWHP-HNNXBMFYSA-N 264.328 3.666 50 50 CHGA O=C(N(Cc1ccccc1)Nc1ccccc1)C(F)(F)F 2080283127 HXKOFZOKIHMNPE-UHFFFAOYSA-N 294.276 3.605 50 50 CHGA C[C@@]12CC3CC([C@H](Cl)C(=O)O)(C1)C[C@](C)(C3)C2 4582983 RDDHNHANEPIBIO-HJCGLEBZSA-N 256.773 3.675 50 50 CHGA O=C(OCc1ccccc1)OC(=O)OCc1ccccc1 100014323 FHRRJZZGSJXPRQ-UHFFFAOYSA-N 286.283 3.677 50 50 CHGA in-vitro O=C(Cl)c1cc(Br)cc(F)c1Cl 263622945 CHTGVFHBIHORCA-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA Cc1ccc(-c2noc(C(C)(C)CCl)n2)cc1 38537226 WAZNIYBWXVNEDJ-UHFFFAOYSA-N 250.729 3.561 50 50 CHGA in-vitro CS[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H]2C=C[C@H]1CC2=O 169829368 VEWZHFQFUIBMSB-SLEUVZQESA-N 298.524 3.885 50 50 CHGA BrC[C@@H](Br)c1ccccc1 2041190 SHKKTLSDGJRCTR-MRVPVSSYSA-N 263.960 3.518 50 50 CHGA N#CCc1cc(S(F)(F)(F)(F)F)ccc1N 103855646 OXEGFVQRGGNJRD-UHFFFAOYSA-N 258.215 3.992 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)C1[C@H]2CCCC[C@H]12 100003730 PEJCEQQOXZKVLJ-YFGIWCPESA-N 292.382 3.726 50 50 CHGA ClC1(Cl)[C@@H]2C[C@@H]3[C@H]4C=C[C@H]([C@@H]3[C@H]21)[C@@H]4Br 257355506 AZBHOWSCNFNOFZ-BDJQNANKSA-N 294.019 3.622 50 50 CHGA O=C(Cl)c1cc(Cl)cc(Cl)c1OC(F)F 263625170 XIOKEOLRUVMKID-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 16474329 MOOONNJRDDVURG-DHDCSXOGSA-N 275.267 3.531 50 50 CHGA C/C(=C\[C@H](C)C[C@@H](C)CC(C)C)[C@@H]1CC(=O)OC1=O 38141458 WBRBLKRDTHYRRV-PIZHFXMOSA-N 266.381 3.731 50 50 CHGA COc1ccccc1/C=C(/C#N)c1ccc(C#N)cc1 16382970 HTVOYWIHFHVPBX-YBEGLDIGSA-N 260.296 3.631 50 50 CHGA CC[C@@H](Br)C(=O)Nc1cc(Cl)ccc1C 19943824 AALXTCOCUCTGNU-SECBINFHSA-N 290.588 3.760 50 50 CHGA O=C(CBr)c1c(Cl)cccc1Cl 2576083 TWZKNPCXINHGGZ-UHFFFAOYSA-N 267.937 3.571 50 50 CHGA in-vitro CCCCSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 2898813 MMDUOIUWEWNNQF-SNVBAGLBSA-N 292.429 3.620 50 50 CHGA Cc1cc(CBr)ccc1Br 64034005 CWOKZNRRLJXSAA-UHFFFAOYSA-N 263.960 3.652 50 50 CHGA in-vitro CCSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(O)=N1 8995050 KURIEOKOZGEUGI-SNVBAGLBSA-N 275.377 3.535 50 50 CHGA N#CC(C#N)=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 52004 FTWFGNUKZGEOKC-UHFFFAOYSA-N 298.685 3.729 50 50 CHGA CCCCc1ccc(OCCBr)cc1 1761738 KTTXTHGVBRJKBU-UHFFFAOYSA-N 257.171 3.803 50 50 CHGA O=C(CBr)c1ccc(-c2ccccc2)cc1 119246 KGHGZRVXCKCJGX-UHFFFAOYSA-N 275.145 3.931 50 50 CHGA Cc1noc(C)c1SSc1c(C)noc1C 71781824 OVNIQEVXUDDCTB-UHFFFAOYSA-N 256.352 3.696 50 50 CHGA CC(C)[C@H](NC(=O)CCl)c1ccc(Cl)cc1F 1328382072 YBFNSWAWSGYSNX-LBPRGKRZSA-N 278.154 3.531 50 50 CHGA C[C@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 58845023 ZXBPRRZJYAWFHW-YFKPBYRVSA-N 296.979 3.715 50 50 CHGA O=C(CCl)c1cc(Cl)c(F)c(Br)c1 263622940 CHCIRZYFRPITNS-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1 401145 RFEJMKDVVUJCAF-RVDMUPIBSA-N 266.319 3.956 50 50 CHGA COc1cccc(C(=O)Cl)c1OCc1ccccc1 40451451 CRXDUPQUSSFOPT-UHFFFAOYSA-N 276.719 3.653 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)/N=C1\O[C@@H](CCl)CS1 252680148 WOZMOUDIKWPRNW-KPKYJNBZSA-N 287.856 3.928 50 50 CHGA CCc1cccc(CC)c1NC(=O)[C@@H](Br)CC 32919711 MAESMPMXHGHIQV-LBPRGKRZSA-N 298.224 3.923 50 50 CHGA BrCCCOc1ccccc1Br 1578075 XREHAMWVAOBJBV-UHFFFAOYSA-N 293.986 3.613 50 50 CHGA in-vitro O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 4186741 ATTPIGIYGNSENT-PZRWJEIXSA-N 298.773 3.594 50 50 CHGA COc1ccc(C2(C(=O)Cl)CCCCC2)cc1 2574164 VPVMRAQKXMQQSY-UHFFFAOYSA-N 252.741 3.663 50 50 CHGA CCSc1ncc(/C=C(\C#N)c2ccccc2)n1C 4002610 VGTIRHAGJYWSDG-UKTHLTGXSA-N 269.373 3.596 50 50 CHGA Clc1cc(CBr)ccc1Br 67794619 XCJXYTFYKPVYMK-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA in-vitro CCC[C@H](C)C[C@@H](C)/C=C(\C)C[C@H]1CC(=O)OC1=O 257373236 RYDRJNGBRZDNMR-PIZHFXMOSA-N 266.381 3.875 50 50 CHGA Clc1cccc(Br)c1CBr 2525307 AHZWBOMWAKYLIS-UHFFFAOYSA-N 284.378 3.997 50 50 CHGA Br[C@H]1CCCCCC[C@@H]1Br 100065281 BOESCCYXMLOHNO-YUMQZZPRSA-N 270.008 3.868 50 50 CHGA CC(=O)c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 37391189 OAZITOFUWOFKDO-HNNXBMFYSA-N 287.746 3.808 50 50 CHGA N#C/C(=C\c1ccc2c(c1)OCO2)c1cccs1 69221 TWXWWHBHYBEYDV-IZZDOVSWSA-N 255.298 3.541 50 50 CHGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCC=CCCC1 223541007 FJMMADPCDJNXAH-CYBMUJFWSA-N 291.303 3.999 50 50 CHGA in-vitro CCCCP(=O)(c1ccccc1)c1ccccc1 3132864 ZEYULRWCONMDRY-UHFFFAOYSA-N 258.301 3.801 50 50 CHGA Cc1c(Cl)cc(Cl)cc1C(=O)CBr 263623423 HITIGNOXUSLDQX-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA Cc1cc(Cl)c(Cl)c(C(=O)CBr)c1 263623834 LDEABBCLVSKVSQ-UHFFFAOYSA-N 281.964 3.879 50 50 CHGA Fc1ccc(OCCCCCBr)cc1 2826132 GXTJCQHAPVWRHV-UHFFFAOYSA-N 261.134 3.770 50 50 CHGA CCCC/C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1 4963981 YFDRZOOWSFDKNY-ZPHPHTNESA-N 296.370 3.717 50 50 CHGA CC(C)[C@H](COC(=O)CCl)CSc1ccccc1 43198913 PTXDBLVVZKJJRQ-GFCCVEGCSA-N 286.824 3.833 50 50 CHGA N#C/C(=C\c1ccccc1F)c1nc2ccccc2[nH]1 4149748 VLHSQPSGJBEACR-FMIVXFBMSA-N 263.275 3.766 50 50 CHGA CC(/C=C/c1ccccc1)=N\NC(=O)Nc1ccccc1 4947979 GHYASIZGQZSKIH-OGMPJXADSA-N 279.343 3.897 50 50 CHGA O=C(N/N=C\c1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccccc1 32650066 SOMANLOUSXJWNX-KZZLEIPFSA-N 298.773 3.594 50 50 CHGA O=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 253476465 RBIYAJLOEXUPBA-IUCAKERBSA-N 297.185 3.899 50 50 CHGA Cc1occc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 228209 MZRNEZATYKTHKB-FRKPEAEDSA-N 297.141 3.659 50 50 CHGA O=C(Cl)c1ccccc1OCc1ccccc1F 40451445 MYFOIBOGLGLQRM-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA O=C(OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100005691 MWUSAETYTBNPDG-UHFFFAOYSA-N 295.121 3.991 50 50 CHGA in-vitro O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12 101820847 KFIUXNZZXXZIDB-BNEJZKKJSA-N 292.382 3.992 50 50 CHGA O=C(CCl)Nc1c(Cl)cc(Cl)cc1Cl 1610688 PXPBIOJVDMLMKK-UHFFFAOYSA-N 272.946 3.824 50 50 CHGA C/[S+]=C1\SS[C@H]2[C@@H]1c1cc(C)ccc1NC2(C)C 4531891 JGEIKYVCGQCNAX-RYUDHWBXSA-N 296.506 3.889 50 50 CHGA FC(F)(F)c1ccnc(Br)c1CCl 238576865 NDCXPPMWMXZBMD-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA O=C(OCc1ccccc1)[C@@H](Cl)c1ccccc1 2167176 MUVYSAMUJCAUPE-AWEZNQCLSA-N 260.720 3.710 50 50 CHGA Cc1ccc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 4582642 PJJARSYRNWSUPJ-DHDCSXOGSA-N 264.284 3.967 50 50 CHGA in-vitro C/C(=C\[C@H](C)C[C@H](C)CC(C)C)[C@H]1CC(=O)OC1=O 215579970 WBRBLKRDTHYRRV-WYUOYJLWSA-N 266.381 3.731 50 50 CHGA CCC[C@H]1[C@H](C(C)=NNC(N)=O)C1(CCC)CCC 252383404 YUXVMBQTOSZKNO-STQMWFEESA-N 267.417 3.663 50 50 CHGA O=C(C[C@@H](Cl)C(=O)c1ccccc1)c1ccccc1 2146770 QIXMGGCRIXCOHY-CQSZACIVSA-N 272.731 3.750 50 50 CHGA CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@@H](Cl)CC[C@@H]12 4765038 MBRKXOAKUNDRJZ-MELADBBJSA-N 276.763 3.793 50 50 CHGA Cc1cccc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])c1 4839441 PMHREDPHBRQFAB-GDNBJRDFSA-N 264.284 3.967 50 50 CHGA COc1cc2ccccc2cc1-c1nnc(CCl)o1 584880228 NJKBRJKOBPMPRU-UHFFFAOYSA-N 274.707 3.637 50 50 CHGA O=C(CCl)c1cc(F)c(Br)cc1Cl 263624256 OTSLDTGHSZEOEX-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA O=C(CBr)c1cc(Cl)ccc1Cl 2576085 JGILXRDUULAMPY-UHFFFAOYSA-N 267.937 3.571 50 50 CHGA in-vitro FC(F)(F)[C@H](Cl)C(Cl)(Cl)C(F)(F)F 63148431 XBUDYFCAECAPKM-PVQJCKRUSA-N 269.399 3.892 50 50 CHGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)O 5772176 BGAFXTJIFKFGRH-VQHVLOKHSA-N 273.675 3.592 50 50 CHGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Cl 33435437 ONQSXERGNKDILF-YFKPBYRVSA-N 253.512 3.526 50 50 CHGA C[C@H](Cl)C(=O)N(Cc1ccccc1)c1ccccc1 37390973 FPPNEXHJXGEILG-ZDUSSCGKSA-N 273.763 3.847 50 50 CHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/C=C/c1ccccc1 245226925 SRCNOORJTMBYHL-BBDDUUSGSA-N 282.387 3.628 50 50 CHGA CC(C)[C@@H](NC(=O)CCl)c1ccc(Cl)cc1F 1328382071 YBFNSWAWSGYSNX-GFCCVEGCSA-N 278.154 3.531 50 50 CHGA O=C(CCCCl)Nc1cccc(Cl)c1Cl 2141572 MCHSMQZMPJDCLZ-UHFFFAOYSA-N 266.555 3.951 50 50 CHGA CCC[C@@H]1[C@H]2C[C@H](CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954620 QPROQTLXKBZWIF-IVMMDQJWSA-N 294.402 3.549 50 50 CHGA Fc1ccc(CBr)c(Br)c1F 258837423 RSFLLNJCIHAWAB-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA O=C(CCl)c1c(F)cc(Cl)cc1Br 263623224 FRYHEVGFPSUOLW-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CCl 308557 GIEOIPYAFRVDON-NSHDSACASA-N 265.784 3.853 50 50 CHGA FC(F)(F)c1ccc(CCl)c(Br)n1 238570753 CXYBDMKVPRVKIQ-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)/C(C#N)=C\c1ccccc1 585145839 WEAUPOMAESHGAE-KLNXDOPLSA-N 282.387 3.534 50 50 CHGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 4135530 ZTVALRSSNNLXKO-FMIVXFBMSA-N 290.282 3.535 50 50 CHGA O=C(CCl)COc1c(Cl)cc(Cl)cc1Cl 163922649 QMISTDHJARLYIC-UHFFFAOYSA-N 287.957 3.834 50 50 CHGA Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O 1700076 ICLCCFKUSALICQ-UHFFFAOYSA-N 264.284 3.905 50 50 CHGA in-vitro COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CCl 308550 URNUWVIPNDXJGL-SNVBAGLBSA-N 281.783 3.553 50 50 CHGA COc1cc2c(cc1NC(=O)CCl)oc1ccccc12 3226918 SEBCXKSTMITXLV-UHFFFAOYSA-N 289.718 3.772 50 50 CHGA O=C(/C=C/c1ccccc1)N/N=C/c1ccccc1Cl 1741049 OXUFKZCQXWZJJP-RJXLRZCOSA-N 284.746 3.504 50 50 CHGA CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccccc1O 2832173 GLGUPBYNUGOLNV-JOEZZVDMSA-N 286.375 3.801 50 50 CHGA CC(C)(C)OC(=O)N1CCC(C#N)(CCCCl)CC1 238149887 ISILMCSLNHEKMN-UHFFFAOYSA-N 286.803 3.546 50 50 CHGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 4457790 YGLWLRRYYPGJDG-FMIVXFBMSA-N 290.282 3.535 50 50 CHGA N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 5051024 ZKUZQSVUBZQMHT-QPEQYQDCSA-N 267.259 3.619 50 50 CHGA COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@@H](Cl)[C@H]12 254288738 VREJDJQVXUVOSX-BOIGQIAZSA-N 281.182 3.907 50 50 CHGA O=C1O[C@@H](CCl)CN1Cc1c(Cl)cccc1Cl 334001 HTYLILILOVWHGS-ZETCQYMHSA-N 294.565 3.553 50 50 CHGA COC(=O)c1cc(-c2ccccc2)sc1N=C=S 2522257 JBSDRHIJAFAUQI-UHFFFAOYSA-N 275.354 3.936 50 50 CHGA COc1cccc([C@@H](Br)CBr)c1 101364528 WCXVMWVYEAZPJW-VIFPVBQESA-N 293.986 3.526 50 50 CHGA O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)cc1 100012678 NCPBESHYZRJICR-UHFFFAOYSA-N 255.981 3.559 50 50 CHGA in-vitro C[P+](c1cccs1)(c1cccs1)c1cccs1 97999430 UWGMCTRGMIQTDO-UHFFFAOYSA-N 295.414 3.795 50 50 CHGA O=C1OC(=O)[C@]23CC=CC[C@]12CCCCCCCCC3 101047863 WYJYJBYSQCUUHQ-CALCHBBNSA-N 276.376 3.917 50 50 CHGA CC(C)OC(=S)SSC(=S)OC(C)C 1576771 ZWWQICJTBOCQLA-UHFFFAOYSA-N 270.466 3.788 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1cccc(C)c1 40451501 JQIMZJUWGICQJM-UHFFFAOYSA-N 290.746 3.962 50 50 CHGA Cc1onc(-c2ccccc2)c1CBr 158496 UICMWXWMCOJBIQ-UHFFFAOYSA-N 252.111 3.545 50 50 CHGA CCN(CCCl)Cc1csc2ccccc12 332286 VNBKKQQMWUXKOW-UHFFFAOYSA-N 253.798 3.962 50 50 CHGA CC(C)(C)C1=CC(=O)[C@@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 1763052 JSACLUOJBWRMBY-RISCZKNCSA-N 291.218 3.742 50 50 CHGA O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 32650069 SOMANLOUSXJWNX-ZYTDBRAZSA-N 298.773 3.594 50 50 CHGA O=C(N/N=C/c1cccc2ccccc12)c1cccc(F)c1 298733 NYGBSKXUAIDKPT-UDWIEESQSA-N 292.313 3.743 50 50 CHGA N#CSCCCCOc1ccc(Br)cc1 2880395 QBGQCUWLGKNVQI-UHFFFAOYSA-N 286.194 3.822 50 50 CHGA COc1cc(C(=O)Cl)ccc1OCc1cccc(F)c1 40451456 LVYORBDKEWUXNK-UHFFFAOYSA-N 294.709 3.792 50 50 CHGA O=P(Cc1ccncc1)(c1ccccc1)c1ccccc1 273146 FRCMUVACWGXMKU-UHFFFAOYSA-N 293.306 3.596 50 50 CHGA C[C@@H]1CCN(C(=O)CCl)c2cc(Cl)ccc2S1 1336910763 BMBRSIUELSEGIE-MRVPVSSYSA-N 290.215 3.796 50 50 CHGA O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H](F)Cl 2325898639 PCEBDVVNUYINQH-YUMQZZPRSA-N 287.615 3.732 50 50 CHGA CN(C)c1ccc(/C=C(\C#N)c2ccccc2F)cc1 401153 NEUQMXUGYVPJNJ-SDNWHVSQSA-N 266.319 3.956 50 50 CHGA CC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@@H]1SC#N 3172020 ADRROVQJQOYZMQ-HNNXBMFYSA-N 297.383 3.740 50 50 CHGA FC(F)Oc1cc(Br)ccc1N=C=S 15444660 LLDIKQLRFKBXFA-UHFFFAOYSA-N 280.093 3.785 50 50 CHGA Cc1cc(Br)ccc1CBr 54711045 RRBOULIORCZELO-UHFFFAOYSA-N 263.960 3.652 50 50 CHGA CC(C)c1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100309863 KUCIEBARWOMZNS-QMBXGQNESA-N 284.403 3.696 50 50 CHGA Cc1cc(C(C)(C)C)cc(C)c1NC(=O)CCl 552245 ZRJFKLNNEJUMGI-UHFFFAOYSA-N 253.773 3.778 50 50 CHGA Cc1cc(Br)cc(Cl)c1OC(=O)CCl 32919595 BZFRORIICZAWCI-UHFFFAOYSA-N 297.963 3.555 50 50 CHGA COc1cc(CBr)c(OC)c2ccccc12 43199226 ZMCKHNBFZNFJSW-UHFFFAOYSA-N 281.149 3.752 50 50 CHGA CC(C)[C@@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21 221754042 OLRHZBDMYHEVOK-OAHLLOKOSA-N 264.328 3.666 50 50 CHGA COc1ccc(/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 1733626 KBOBWBOCWNTNSX-VBKFSLOCSA-N 278.355 3.825 50 50 CHGA O=C=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2560390 NRSSOFNMWSJECS-UHFFFAOYSA-N 255.117 3.692 50 50 CHGA in-vitro O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccccc1 4186737 ATTPIGIYGNSENT-DDMUGZQBSA-N 298.773 3.594 50 50 CHGA CC/C(=N\NC(=O)c1cccc(C)c1)c1ccccc1 4950228 VIKZQBGZCRCMBF-FBMGVBCBSA-N 266.344 3.539 50 50 CHGA CCCCC(CBr)(CCCC)C(=O)O 95080138 OBRLODQYQTZCSP-UHFFFAOYSA-N 265.191 3.833 50 50 CHGA in-vitro O=C(OCCCl)OCc1ccc(Cl)c(Cl)c1 71772522 RGYDKKSKQJQLCJ-UHFFFAOYSA-N 283.538 3.885 50 50 CHGA O=C(CCl)c1c(Cl)cc(F)cc1Br 263624616 RZGWTEKQUTXICJ-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA BrCc1ccc2cnn([C@H]3CCCCO3)c2c1 59637487 AWPVWONQUKCAJB-CYBMUJFWSA-N 295.180 3.630 50 50 CHGA O=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)Cl 1724347 SSDPYDABCUKLMX-UHFFFAOYSA-N 272.946 3.736 50 50 CHGA FC(F)(Br)[C@@](F)(Cl)[C@H](Cl)CCl 2584264 GGKDLFPUVNFPNY-PWNYCUMCSA-N 294.325 3.725 50 50 CHGA Cc1cccn2c(Br)c(C(Cl)Cl)nc12 97971800 JFFBBJLFUPJVLQ-UHFFFAOYSA-N 293.979 3.881 50 50 CHGA in-vitro CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)/N=C1/O[C@@H](CCl)CS1 169332433 WOZMOUDIKWPRNW-GDUOROTJSA-N 287.856 3.928 50 50 CHGA C[C@@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 19737262 DAFPFECFVGRHLA-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA O=C(N/N=C\c1cccc(Cl)c1)[C@H]1C[C@H]1c1ccccc1 32650072 SOMANLOUSXJWNX-BDLQZBCKSA-N 298.773 3.594 50 50 CHGA O=C(F)c1ccc(Br)c2ccccc12 4851391 SUYJUKIEPSLNMW-UHFFFAOYSA-N 253.070 3.712 50 50 CHGA CC[C@H](Br)C(=O)Nc1c(C)cccc1Cl 1649072 XJNXEWLGGWKBPT-QMMMGPOBSA-N 290.588 3.760 50 50 CHGA Cl[C@H]1[C@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@H]2[C@H]1Cl 254790901 JAAZITGSMWHCGF-ARFNZGECSA-N 251.156 3.898 50 50 CHGA O=C(Cl)c1cc(-c2ccncc2)nc2ccccc12 39172773 JGAJAUQPPHHLLU-UHFFFAOYSA-N 268.703 3.676 50 50 CHGA c1ccc(P(CCc2ccccn2)c2ccccc2)cc1 79979425 ARSGXAZDYSTSKI-UHFFFAOYSA-N 291.334 3.757 50 50 CHGA CC[C@@H](Br)C(=O)c1ccc(C)cc1C 57665997 IVZRDASCYVLRFC-LLVKDONJSA-N 255.155 3.660 50 50 CHGA in-vitro CC(C)(C)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 298590 CVIBLDFUXBEASE-XSFVSMFZSA-N 294.398 3.677 50 50 CHGA N#CSc1cc(SC#N)c2ccccc2c1N 402070 MUJSUITXGNCDIS-UHFFFAOYSA-N 257.343 3.568 50 50 CHGA O=S(=O)(Cc1ccccc1)[C@@H](Cl)c1ccccc1 8649495 SJMMZFZYGOFEGI-CQSZACIVSA-N 280.776 3.539 50 50 CHGA ClC[C@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1 13152567 WVLPOLIDXIHVBY-GWOVLTETSA-N 285.840 3.682 50 50 CHGA FC(F)(F)c1ccc(CBr)c(Cl)n1 146409758 GEASZNBTMLEEGX-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA Fc1cc(F)c(Br)c(CBr)c1 258830424 GJSJQGXOBIKLBO-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA C[C@@H](NC(=O)[C@H](F)Cl)c1nc(-c2ccccc2)cs1 1875361988 KUIQAJLKQXLKRF-KCJUWKMLSA-N 298.770 3.522 50 50 CHGA CC1=CC(C)(C)N(C(=O)CSC#N)c2cc(C)ccc21 9939180 REOHCBPHRMQRDB-UHFFFAOYSA-N 286.400 3.738 50 50 CHGA CC1CCC(C(=O)OC(=O)C2CCC(C)CC2)CC1 97950156 HFCIALJSVFVNGJ-UHFFFAOYSA-N 266.381 3.709 50 50 CHGA O=C=Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 12370482 GFEVPIXAPFROGH-UHFFFAOYSA-N 264.206 3.735 50 50 CHGA Cc1ccc([N+](=O)[O-])c2c1[C@@H](Br)C(C)(C)O2 4105241 BZSZGSHPPQPRBX-SNVBAGLBSA-N 286.125 3.510 50 50 CHGA O=C(NC[C@@]1(Cc2ccccc2)C=CCCC1)[C@@H](F)Cl 2325897995 OXZYLBPLIGWCNO-ZBFHGGJFSA-N 295.785 3.606 50 50 CHGA CCC[C@H]1[C@@H](C(C)=NNC(N)=O)C1(CCC)CCC 252383403 YUXVMBQTOSZKNO-QWHCGFSZSA-N 267.417 3.663 50 50 CHGA COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1Cl 25539848 DYKABXXKEBBQAM-UHFFFAOYSA-N 299.761 3.631 50 50 CHGA O=C(Nc1ccc(Cl)c(Cl)c1)OCCCl 1722105 COVIXHVKKNORKM-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA Cc1cc(C)cc(OCc2ccc(C=C(C#N)C#N)o2)c1 2766814 GMDRCCLGDAAIDJ-UHFFFAOYSA-N 278.311 3.906 50 50 CHGA c1ccc([PH](c2ccccc2)=c2cccc[cH-]2)cc1 1481400170 BRHPPIHXDFKNMT-UHFFFAOYSA-N 263.300 3.803 50 50 CHGA in-vitro Clc1ccccc1OCCCCBr 4291187 UTWADTJNQWXWIA-UHFFFAOYSA-N 263.562 3.894 50 50 CHGA CCCCCC(=O)N/N=C(/C)c1ccc(Cl)cc1 4992184 OPYPSSBAPSYFFS-WJDWOHSUSA-N 266.772 3.761 50 50 CHGA N#CC1=C(c2ccccc2)/C(=C/c2ccccc2)OC1=O 3027989 PEODVUVNVGIRIB-WJDWOHSUSA-N 273.291 3.562 50 50 CHGA CC[C@H](Br)C(=O)Nc1c(C)cc(C)cc1C 32919691 KDDUDDQUHKRRBN-NSHDSACASA-N 284.197 3.724 50 50 CHGA CC(C)c1ccc(NC(=O)[C@@H](C)Br)cc1 41717069 OVXCRBPUWQANNN-SECBINFHSA-N 270.170 3.532 50 50 CHGA C[Si](C)(C)/N=C(/O[Si](C)(C)C)C(F)(F)F 169743047 XCOBLONWWXQEBS-KPKJPENVSA-N 257.404 3.634 50 50 CHGA in-vitro COc1ccc(/C(C#N)=C\c2ccc(NC(C)=O)cc2)cc1 70428 SCJOTXFZTGVSLS-WJDWOHSUSA-N 292.338 3.718 50 50 CHGA Cc1cc(C(=O)CCl)c(C)n1-c1cccc(F)c1 90191 UMSNWZWJTFGFSJ-UHFFFAOYSA-N 265.715 3.655 50 50 CHGA in-vitro O=C(Cl)c1ccccc1OCc1ccc(F)cc1 40451457 DOFDTXAQCBJEKR-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA CC[C@@H](Br)C(=O)c1ccc(Cl)cc1 34761080 BYOSXLUJIZHWMJ-SECBINFHSA-N 261.546 3.696 50 50 CHGA in-vitro O=C(CCl)c1cc(F)c(Cl)c(Br)c1 263623966 MFTRVUHPQJUIJP-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA C[C@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3281086 GVZJPYFBHFOGLJ-YFKPBYRVSA-N 286.080 3.925 50 50 CHGA Cc1c(C)c(C=C(C#N)C#N)c(C)c(C)c1C=C(C#N)C#N 270565 AGMLSNJWYMRSSL-UHFFFAOYSA-N 286.338 3.781 50 50 CHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1 445249 XBETYBKGYSMCQT-RVDMUPIBSA-N 292.338 3.549 50 50 CHGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(F)cc1 4990458 NSINKVPQWBCXHG-LDTXJDIMSA-N 282.318 3.645 50 50 CHGA Cc1ccc(C(=O)Oc2cccc(N=C=S)c2)cc1 2532482 JTPZGXKBBHRXAJ-UHFFFAOYSA-N 269.325 3.949 50 50 CHGA CCCc1cc(C(=O)N/N=C/c2cccs2)cs1 2736074 XBRHNSDSHWUJET-RIYZIHGNSA-N 278.402 3.526 50 50 CHGA O=C(N/N=C/c1ccc2ccccc2c1)[C@@H]1[C@H]2CCCC[C@H]21 245232082 PEJCEQQOXZKVLJ-PLOZNXQZSA-N 292.382 3.726 50 50 CHGA ClC[C@@H]1CN(c2ccccc2)[C@H](c2ccccc2)O1 101364639 ZPFDYYPRWQDRTQ-CVEARBPZSA-N 273.763 3.829 50 50 CHGA O=C(CBr)c1cc(Cl)cc(F)c1Cl 263624743 TVSCRXOWEIMHFW-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA Cc1cc(C(=O)CCl)c(C)n1Cc1ccccc1 3327470 OXABFSIGNVGMCD-UHFFFAOYSA-N 261.752 3.575 50 50 CHGA ClCCCOc1ccc(CN2CCCCC2)cc1 6472184 ZFCVHEWMUKQJFF-UHFFFAOYSA-N 267.800 3.680 50 50 CHGA N#CC(C#N)=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 289735 RDMRBYSCFDHLSE-UHFFFAOYSA-N 299.673 3.939 50 50 CHGA COc1ccc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 4582574 HHUPEXFDDAOPGQ-ZROIWOOFSA-N 280.283 3.668 50 50 CHGA CC(=O)/C(C#N)=C1/Nc2ccccc2-c2ccccc21 3156951 QEOKWFDIDVDBJN-BMRADRMJSA-N 260.296 3.603 50 50 CHGA Fc1ccc(C(F)(F)F)cc1-c1nc(CCl)no1 6668009 CSIWLHRNWBWEQO-UHFFFAOYSA-N 280.608 3.633 50 50 CHGA Cc1c(Br)cc(C(=O)Cl)c(C)c1C 2506159 GYPCXFRCGBPFLQ-UHFFFAOYSA-N 261.546 3.753 50 50 CHGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1Cl 245226624 GTJONIFXFDUNPR-SVUHRWEISA-N 290.794 3.616 50 50 CHGA CN(C)c1ccc(/C=C/C(=C(C#N)C#N)C2CC2)cc1 353996 WIUXQXRXPGQQBV-BJMVGYQFSA-N 263.344 3.520 50 50 CHGA Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)o1 3945100 ZMINAZITWMRDEL-FMIVXFBMSA-N 263.300 3.539 50 50 CHGA Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)s1 1001908 ULSINQBDBKLYEL-LICLKQGHSA-N 286.400 3.944 50 50 CHGA C[C@H](Br)CCCCCCCCC(=O)O 4503133 GRTAZJUBVKWZPH-JTQLQIEISA-N 265.191 3.975 50 50 CHGA FC(F)(F)c1ccccc1CCBr 55234155 QECZMYGJNDGESU-UHFFFAOYSA-N 253.061 3.643 50 50 CHGA in-vitro CCOc1cc(C(=O)Cl)ccc1OC1CCCC1 40451439 HWZJYJRYGDAKNY-UHFFFAOYSA-N 268.740 3.786 50 50 CHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1Cl 231718 CWVGRHXUBKLZMC-VXLYETTFSA-N 297.745 3.585 50 50 CHGA S=C=Nc1ccn(Cc2c(Cl)cccc2Cl)n1 2536563 BNMNFTYKAMTEBJ-UHFFFAOYSA-N 284.171 3.973 50 50 CHGA ClC(Cl)c1nc2ccccn2c1Br 59059204 UXUMUASMZOWVAI-UHFFFAOYSA-N 279.952 3.573 50 50 CHGA Cc1ccc(Br)cc1OCCCCl 228331378 JWCXAPUGIMXRHS-UHFFFAOYSA-N 263.562 3.765 50 50 CHGA C[C@@H]1[C@@H](NC(=O)/C(C#N)=C\c2ccccc2)CCC[C@H]1C 254371696 WEAUPOMAESHGAE-CDBBBMIPSA-N 282.387 3.534 50 50 CHGA COc1ccc(C=C(C#N)C#N)cc1OCc1ccccc1 390490 KAHWBZGHJARINJ-UHFFFAOYSA-N 290.322 3.705 50 50 CHGA COc1cccc(C(=O)Cl)c1OCc1cccc(F)c1 40451499 CSDQGBGSUYSDBV-UHFFFAOYSA-N 294.709 3.792 50 50 CHGA O=C(Cl)c1ccc(OC(F)F)c(Cl)c1Cl 263625128 XAFTUTYPKNGUCW-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA Cc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cs1 2754920 HRZMGBNBQAILFZ-CAOOACKPSA-N 297.383 3.610 50 50 CHGA N#C/C(=C/c1ccc(F)cc1)c1ccc(C(=O)O)cc1 4811154 TZGIHPPVHIPVBE-ZROIWOOFSA-N 267.259 3.588 50 50 CHGA Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1C 15228954 ZCBVNVOSEBHOPX-DHDCSXOGSA-N 254.308 3.845 50 50 CHGA Cc1cccc(C(=O)/C(C#N)=C\c2ccsc2)c1 212121161 WHTHGZLBSROFTN-ZSOIEALJSA-N 253.326 3.846 50 50 CHGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Cl 40451382 KOTKSYLMUZDZPX-MRVPVSSYSA-N 267.539 3.916 50 50 CHGA O=C(c1ccc(Cl)cc1)[C@@H](Br)CCCl 6092742 FJDWOHFEUUFTDH-VIFPVBQESA-N 295.991 3.915 50 50 CHGA Cc1ccsc1C(=O)N/N=C/c1c(F)cccc1Cl 371289 GUPRQEUJWZVIKZ-FRKPEAEDSA-N 296.754 3.613 50 50 CHGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C 5028652 OVQQTMSLZURFHZ-GDNBJRDFSA-N 292.338 3.555 50 50 CHGA FC(F)(F)c1nc(Br)ccc1CCl 238580690 ZMBBNIINVYCEDV-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA C[C@@H](Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3281058 DGGNMLQKEHSWQV-RXMQYKEDSA-N 252.528 3.559 50 50 CHGA FC(F)(F)c1cnc(Br)cc1CCl 238578136 BXOIEXRWBDXOCV-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA O=C(CCl)c1cc(F)cc(Cl)c1Br 263622816 BDOQCSJKVCTRMY-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA CC[C@@H](Br)C(=O)Nc1ccc(C)c(Cl)c1 266497 MZLZUGVCVSLWEL-SECBINFHSA-N 290.588 3.760 50 50 CHGA O=C(Nc1cc(Cl)ccc1Cl)OCCCl 1676283 TXYKLEQALDFMBB-UHFFFAOYSA-N 268.527 3.781 50 50 CHGA Cc1cc(C)c(/C=N/NC(=O)c2sccc2C)c(C)c1 371443 YAURVMOKIVEHQS-RQZCQDPDSA-N 286.400 3.746 50 50 CHGA COc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1 19800379 YCSBMFDNBSKUKO-ZMYBKAFPSA-N 294.354 3.514 50 50 CHGA Cc1ccc(NC(=O)c2ccc(CCl)cc2)c(O)c1 152683 MGOAXFPMFQUXGF-UHFFFAOYSA-N 275.735 3.692 50 50 CHGA O=C(CCl)c1cc(Br)c(F)cc1Cl 263623863 LKDZFHQFMLRWFU-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA O=C(NC[C@]1(Cc2ccccc2)C=CCCC1)[C@H](F)Cl 2325897993 OXZYLBPLIGWCNO-GOEBONIOSA-N 295.785 3.606 50 50 CHGA O=C(Nc1cccc2nc(C(F)F)sc12)[C@H](F)Cl 1875362017 MDSICNOPEXWDIT-ZETCQYMHSA-N 294.685 3.707 50 50 CHGA C[Si](C)(C)OC1=C(Br)[C@H]2CC[C@H]1C2 169833877 HAGFHRWGRSVGLV-YUMQZZPRSA-N 261.235 3.874 50 50 CHGA Cc1cccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 264997 RGRLCAXBIBMERF-YBFXNURJSA-N 291.354 3.549 50 50 CHGA S=C=Nc1ccc(Br)cc1Br 2506729 DWFDCXAPHKAJHH-UHFFFAOYSA-N 292.983 3.946 50 50 CHGA O=C(CBr)c1ccc(-c2cccs2)cc1 4277262 QFHKNYPNLSJEQI-UHFFFAOYSA-N 281.174 3.993 50 50 CHGA in-vitro Fc1ccc([C@@H](Br)C(F)(F)F)cc1 58143297 DQCQFCZGHRBWOB-SSDOTTSWSA-N 257.024 3.824 50 50 CHGA C[C@@H](Br)C(=O)Nc1ccc(Cl)cc1Cl 28227 BEXSXCPWORZLPN-RXMQYKEDSA-N 296.979 3.715 50 50 CHGA Br[C@@H]1CCCCCC[C@H]1Br 1723678 BOESCCYXMLOHNO-HTQZYQBOSA-N 270.008 3.868 50 50 CHGA O=C(O)CCCCCCCCCCBr 1653226 IUDGNRWYNOEIKF-UHFFFAOYSA-N 265.191 3.977 50 50 CHGA biogenic,in-vitro C[C@H](NC(=O)[C@H](F)Cl)c1nc(-c2ccccc2)cs1 1875361989 KUIQAJLKQXLKRF-KWQFWETISA-N 298.770 3.522 50 50 CHGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 4149589 BMVPYKZTAYDWTM-XYOKQWHBSA-N 290.282 3.535 50 50 CHGA C[C@@H](Cl)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 1875363498 FEXTZUYHAKVRPU-MFKMUULPSA-N 265.784 3.543 50 50 CHGA CCc1cccc(CC)c1NC(=O)[C@H](Br)CC 32919709 MAESMPMXHGHIQV-GFCCVEGCSA-N 298.224 3.923 50 50 CHGA O=C(Cl)c1ccc(Cl)c(Cl)c1OC(F)F 263622821 BERHRXXHLJMMDU-UHFFFAOYSA-N 275.465 3.974 50 50 CHGA CCC(CC)=C(C#N)C(=O)Nc1cccc(Cl)c1 5977738 OETYVOISTPTCCG-UHFFFAOYSA-N 262.740 3.919 50 50 CHGA N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 16426784 QDQRQVDWCSIREQ-DHDCSXOGSA-N 275.267 3.531 50 50 CHGA CSc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 317834 UKMOKIRUIASGTB-LFIBNONCSA-N 285.372 3.564 50 50 CHGA CCOc1cc(-c2nc(CCl)c(C)o2)ccc1OC 1775973187 MXJVOOAYUDLYIS-UHFFFAOYSA-N 281.739 3.796 50 50 CHGA C[C@@H](Br)C(=O)Nc1cc(Cl)ccc1Cl 58853894 LCHCVEXHWWFVNH-RXMQYKEDSA-N 296.979 3.715 50 50 CHGA C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1 100035523 MUVPBAIVOHJDOC-VBKFSLOCSA-N 278.311 3.648 50 50 CHGA in-vivo CCCCCC(=O)N/N=C(\C)c1ccc(OCC)cc1 4992123 SDLYHRDYROICCW-GHRIWEEISA-N 276.380 3.506 50 50 CHGA O=C([C@@H](F)Cl)N1CC2(CCCC2)c2cccc(F)c21 2325898477 FNHSMPCBTXMQOU-GFCCVEGCSA-N 285.721 3.519 50 50 CHGA N#C/C(=C/C=C/c1ccco1)c1nc2ccccc2[nH]1 13425462 BNBXTLFGWRFVOP-OITAKYAHSA-N 261.284 3.776 50 50 CHGA Cl[C@@H]1[C@H](Cl)[C@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@@H]12 254790905 JAAZITGSMWHCGF-QQKNPXLJSA-N 251.156 3.898 50 50 CHGA Fc1cc(Br)c(Cl)cc1N=C=S 15444539 DAMRBWWEODJLGD-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA O=C(c1ccccc1)c1ccc(CBr)cc1 43845 RYULULVJWLRDQH-UHFFFAOYSA-N 275.145 3.813 50 50 CHGA O=C(Cl)CNc1ccccc1Oc1ccccc1 2024407 IHXYVRJWMNJOOB-UHFFFAOYSA-N 261.708 3.656 50 50 CHGA Fc1c(CBr)ccc(C(F)(F)F)c1F 2560158 CSCQGNZVBJMHGR-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA O=C(CCCl)Nc1ccc(Cl)cc1Cl 5943872 VFMXHMBRGBXZRJ-UHFFFAOYSA-N 252.528 3.561 50 50 CHGA CCn1ncc(/C=C(\C#N)c2nc3ccccc3s2)c1C 6490018 HOMYKNQNWFFANN-XYOKQWHBSA-N 294.383 3.885 50 50 CHGA Cc1ccccc1COc1ccccc1C(=O)Cl 40451471 DQKZFKHFISSNJZ-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA O=[N+]([O-])c1ccc([C@H](Br)C(F)(F)F)cc1 604221815 PCSJGOCYMGKERD-ZETCQYMHSA-N 284.031 3.593 50 50 CHGA CC(C)(C)C(=O)/C(C#N)=C\c1cccc(Br)c1 5292582 DJEOIKQFWVUVPA-XFFZJAGNSA-N 292.176 3.971 50 50 CHGA Cc1cccc(COc2ccc(C(=O)Cl)cc2)c1 40451507 OTAAADMJADFUPC-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA N#C[C@H](Cl)Cc1ccc(SC(F)(F)F)cc1 39967 BNTWKNKLCVTABE-MRVPVSSYSA-N 265.687 3.972 50 50 CHGA FC(F)(F)c1ccnc(Cl)c1CBr 238577054 QRMLHZICIGLUAQ-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA Clc1ccc(CC[C@H](Cl)Cn2ccnc2)cc1 54967665 PJMMKIMXEKRAAT-ZDUSSCGKSA-N 269.175 3.777 50 50 CHGA in-vitro CCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21 235699 OZGBGVISFVGPFW-UHFFFAOYSA-N 294.398 3.954 50 50 CHGA C=CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C 196631253 HLAIGQGXQXPMGT-LLVKDONJSA-N 258.434 3.516 50 50 CHGA C[C@@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3281087 GVZJPYFBHFOGLJ-RXMQYKEDSA-N 286.080 3.925 50 50 CHGA Cc1cccc2c(C(=O)Cl)cc(-c3ccccn3)nc12 40451313 OQAHZPJAZBDSSC-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@@H](Cl)[C@@H]12 230116304 QYAXVGYQBFVYCK-OOUOQMGZSA-N 276.166 3.770 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CC=C[S@@]2=O 169835982 RXHSIINQQBLLBW-IFIJOSMWSA-N 286.513 3.966 50 50 CHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(Cl)c1 254222 MVESHDQZRAXEOZ-VXLYETTFSA-N 297.745 3.585 50 50 CHGA C[C@@H](NC(=O)/C(C#N)=C/c1cccs1)c1ccccc1 732086 OTYUDKODAODTBH-HLVNSREUSA-N 282.368 3.532 50 50 CHGA C[C@H]1CCc2nc(/C(C#N)=C\c3ccco3)sc2C1 4754946 NSQMHCJFQLLVBO-DFYQSJSGSA-N 270.357 3.925 50 50 CHGA Cc1c(Cl)cccc1NC(=O)NN(C)c1ccccc1 4794919 OZHCCFTZZQNVQH-UHFFFAOYSA-N 289.766 3.821 50 50 CHGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 1875364581 OUNLGHYMMZFCCH-LLVKDONJSA-N 299.761 3.591 50 50 CHGA O=C(Oc1ccccc1)c1ccc(CBr)cc1 3130438 HJRJANAQRVHGKP-UHFFFAOYSA-N 291.144 3.801 50 50 CHGA Fc1ccc([C@H](Br)C(F)(F)F)cc1 58143290 DQCQFCZGHRBWOB-ZETCQYMHSA-N 257.024 3.824 50 50 CHGA CCCCCCCC[C@@H]1CCCC1=NNC(N)=O 245309785 GJRNBQHVMVQQSY-GFCCVEGCSA-N 253.390 3.561 50 50 CHGA CCc1c(C(=O)N/N=C/c2sccc2C)csc1C 373861 YLOHKRRRIHZEGY-VIZOYTHASA-N 292.429 3.753 50 50 CHGA O=C(CCCl)N[C@@H](Cc1ccccc1)c1ccccc1 1649104 GTRBEDTWVOHQDH-INIZCTEOSA-N 287.790 3.716 50 50 CHGA COC(=O)CCCCCCCCCBr 2561350 SHCRSWJVWSAMKQ-UHFFFAOYSA-N 265.191 3.675 50 50 CHGA CC(C)(CCl)C(=O)Nc1sc2c(c1C#N)CCCC2 5841158 KZECMHUMTOTRCE-UHFFFAOYSA-N 296.823 3.702 50 50 CHGA C[C@@H](Cl)OC(=O)OCc1ccc(C(F)(F)F)cc1 263620201 WNGOWSCYCMJYEE-ZETCQYMHSA-N 282.645 3.943 50 50 CHGA CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](CCl)O2)cc1 495096 YSVLBZCXZDBAJV-LSDHHAIUSA-N 282.811 3.897 50 50 CHGA C[C@@]12CC3CC([C@@H](Cl)C(=O)O)(C1)C[C@](C)(C3)C2 5211899 RDDHNHANEPIBIO-AJAKLICSSA-N 256.773 3.675 50 50 CHGA COc1ccc(/C(C#N)=C\c2c(OC)cccc2OC)cc1 4582618 GPBHLHXWXIKUPK-KAMYIIQDSA-N 295.338 3.777 50 50 CHGA O=C(Nc1cccc(Cl)c1)OC(CCl)CCl 1676289 MMZAOCRYHWKEGO-UHFFFAOYSA-N 282.554 3.735 50 50 CHGA BrCc1ccc(-c2cscn2)cc1 115684470 NYOFEKSKVCMICX-UHFFFAOYSA-N 254.152 3.705 50 50 CHGA O=C(O)Cc1cccc(S(F)(F)(F)(F)F)c1 97949954 MUXKXZMWGCIFAW-UHFFFAOYSA-N 262.199 3.971 50 50 CHGA CSC1=C(C#N)[C@@H](c2cccc3ccccc23)CC(=O)N1 198451 FGEXDYOILRPMTJ-CQSZACIVSA-N 294.379 3.541 50 50 CHGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(Cl)cc1 245226848 OJELTWDIHHRBQK-OLXINACNSA-N 290.794 3.616 50 50 CHGA CC(C)(C)C1=CC(=O)[C@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 1763056 JSACLUOJBWRMBY-BXUZGUMPSA-N 291.218 3.742 50 50 CHGA COc1ccc(CBr)cc1C(F)(F)F 2382273 FZICFAROPYFJMF-UHFFFAOYSA-N 269.060 3.609 50 50 CHGA CCN(CC)C(=S)SSC(=S)N(CC)CC 1529266 AUZONCFQVSMFAP-UHFFFAOYSA-N 296.552 3.621 50 50 CHGA aggregator,biogenic,fda O=C(CCl)c1cc(Br)cc(F)c1Cl 263624869 UUXSNVGNLAZJHM-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccccc1 468152 LSMYRSSSEFHZLX-NBVRZTHBSA-N 290.366 3.587 50 50 CHGA CCCCC(=O)c1cc(NC(=O)[C@@H](F)Cl)ccc1F 2325898736 XUFQWCRLASVSEB-GFCCVEGCSA-N 289.709 3.672 50 50 CHGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(C)c1O 4739785 PLFBKYCGJUTXTE-ZROIWOOFSA-N 289.338 3.950 50 50 CHGA O=C(CCl)Nc1cc(Cl)ccc1C(F)(F)F 35681298 HONOKFNCQHPQPF-UHFFFAOYSA-N 272.053 3.536 50 50 CHGA O=[S@](O)c1ccc(S(F)(F)(F)(F)F)cc1 675061446 HHBWMQGLIJUUAW-UHFFFAOYSA-N 268.228 3.925 50 50 CHGA C[C@@H](Cl)C(=O)Nc1ccc(-c2nccn2C(F)F)cc1 1875364489 NESGKOCHHOIOEA-MRVPVSSYSA-N 299.708 3.511 50 50 CHGA O=C(Cc1cccc2ccccc12)N/N=C/c1cccs1 238176 CZMYZIQKPUVNON-LDADJPATSA-N 294.379 3.594 50 50 CHGA O=[N+]([O-])c1cc(C(F)(F)F)ccc1CBr 2384173 XAEZZJSUMIHJQS-UHFFFAOYSA-N 284.031 3.509 50 50 CHGA in-vitro CC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1 231870 ORYQOCRMYVUITM-UHFFFAOYSA-N 264.756 3.636 50 50 CHGA Fc1cc(Br)cc(F)c1CBr 2243322 VSKMLLGUWKLTQV-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA CCCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12 2293458 WIYRRRDHYQWIPG-CPNJWEJPSA-N 285.391 3.979 50 50 CHGA N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccco1 201750 SDVGEZOOECNJRR-CYBMUJFWSA-N 294.335 3.712 50 50 CHGA aggregator Fc1c(CBr)cccc1C(F)(F)F 2600089 QBEHXDXQUVMEQX-UHFFFAOYSA-N 257.024 3.739 50 50 CHGA in-vitro O=C(Cl)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2785444 GHFFWMJYYLDQHG-UHFFFAOYSA-N 276.100 3.842 50 50 CHGA O=C(CBr)c1c(F)ccc(Cl)c1Cl 16158907 GJDPLKNLLDFOFE-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA BrCc1ccc(-c2noc(C3CCC3)n2)cc1 725273592 NAGDOFVBESXYIS-UHFFFAOYSA-N 293.164 3.899 50 50 CHGA COc1ccc(/C(C#N)=C/c2c(OC)cccc2OC)cc1 410098 GPBHLHXWXIKUPK-SDNWHVSQSA-N 295.338 3.777 50 50 CHGA Cc1cc(Cl)ccc1NC(=O)NNc1ccccc1 2170888 LZEHHDYPCAHIMH-UHFFFAOYSA-N 275.739 3.797 50 50 CHGA C[C@H](Cl)C(=O)Nc1ccc(-c2nccn2C(F)F)cc1 1875364490 NESGKOCHHOIOEA-QMMMGPOBSA-N 299.708 3.511 50 50 CHGA O=C(N/N=C/c1cccc2ccccc12)c1cccs1 228037 YJFIQKQWEALGTC-GZTJUZNOSA-N 280.352 3.665 50 50 CHGA CCCCCC(=O)N/N=C/c1c(F)cccc1Cl 2885768 RNUHFMWHQYQWML-CXUHLZMHSA-N 270.735 3.510 50 50 CHGA Cc1ccc([C@]2(C)O[C@H](CCl)CS2)c(C)c1 1766736 OIWKZJRHKUWGOS-DGCLKSJQSA-N 256.798 3.847 50 50 CHGA CC(C)c1cc(C(=O)N/N=C/c2ccsc2)cs1 2743425 JASXHFCDNIZGAE-MKMNVTDBSA-N 278.402 3.697 50 50 CHGA CC1=CC(=C(C#N)c2nc3ccccc3o2)C=C(C)O1 198006300 OXDWMGGWBWOCEC-UHFFFAOYSA-N 264.284 3.943 50 50 CHGA Cc1ccc(-c2csc(NC(=O)CCl)n2)cc1C 2569087 ZDPNZGLZYQVPDD-UHFFFAOYSA-N 280.780 3.604 50 50 CHGA CC(C)(C)[Si](C)(C)Oc1ncc(Br)cn1 169747744 GCALLZMACFTOPD-UHFFFAOYSA-N 289.249 3.623 50 50 CHGA O=C(C=C(Nc1ccccc1)Nc1ccccc1)CCl 433572 KGAJQEKSICAGAG-UHFFFAOYSA-N 286.762 3.860 50 50 CHGA Cc1cccc(/C(C#N)=C\c2ccc3c(c2)OCO3)c1 4866500 SCUFHCOWHJSFEG-NVNXTCNLSA-N 263.296 3.788 50 50 CHGA CCCCCC(=O)N/N=C/c1ccc2cc(OC)ccc2c1 4976253 ZVUJFHRHQFUWPN-CPNJWEJPSA-N 298.386 3.879 50 50 CHGA CCOC(=O)/C(C#N)=C\c1c(C)cc(C)c(CCl)c1C 22014483 KQSZBASFDDYWEZ-QPEQYQDCSA-N 291.778 3.821 50 50 CHGA C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)Cl 40451335 HHUKKTDKFVCCRU-RXMQYKEDSA-N 297.963 3.635 50 50 CHGA O=C(CCl)c1cc(F)cc(Br)c1Cl 263623574 IQAKLQKEIZVPCO-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA CC1=C(C#N)C(c2ccc(F)cc2Cl)C(C#N)=C(C)N1 25695354 FHFDIDYZRZIYNK-UHFFFAOYSA-N 287.725 3.761 50 50 CHGA CC(C)c1ccccc1NC(=O)[C@@H](C)Br 41672508 MQKWFWXREOIPHO-SECBINFHSA-N 270.170 3.532 50 50 CHGA CCCSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(O)=N1 4006021 ABNQOSOLNPDKTK-LLVKDONJSA-N 289.404 3.925 50 50 CHGA CC(C)(C)c1ccc(-c2nnc(CCl)o2)cc1 3883444 LKDRJSXAQNUYMR-UHFFFAOYSA-N 250.729 3.773 50 50 CHGA Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccccc2O)c1 5023498 ZEUZSTZEPOAOJQ-GDNBJRDFSA-N 292.338 3.555 50 50 CHGA O=C(Cl)c1ccc(OCc2ccccc2F)cc1 40451442 GXPIZKOLAIUYPN-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA Fc1ccc(C(F)(F)F)c(F)c1CBr 604221823 SWPSKNOJWNSFAT-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA CCCCOc1ccc(C(=O)Cl)cc1OCC 33439271 FMDLRTGKISBTSG-UHFFFAOYSA-N 256.729 3.643 50 50 CHGA Nc1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-] 103862212 WQGCKYATTUFNOD-UHFFFAOYSA-N 264.175 3.834 50 50 CHGA Fc1cc(OC(F)(F)F)cc(F)c1CBr 1083810958 CRCHKGDAUZCJDZ-UHFFFAOYSA-N 291.013 3.758 50 50 CHGA FC(F)(F)C(CCBr)C(F)(F)F 2560305 YYQXPSJUSBJZJI-UHFFFAOYSA-N 258.987 3.512 50 50 CHGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1077775 RXDKVYGZOZXDFA-LCYFTJDESA-N 268.247 3.798 50 50 CHGA C[C@H]1CCC[C@@H](C(=O)OC(=O)[C@H]2CCC[C@@H](C)C2)C1 100541918 KYKCBFSCRHKEOM-LVEBTZEWSA-N 266.381 3.709 50 50 CHGA COc1ccc(CCCCCBr)cc1 2572549 INBIEXZCBBDGHT-UHFFFAOYSA-N 257.171 3.803 50 50 CHGA in-vitro CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)Cl 39425570 JKCIJGYBSVRRHU-SNVBAGLBSA-N 261.148 3.880 50 50 CHGA FC(F)(F)c1cnc(CCl)c(Br)c1 238578590 AGOGRASJTIWXAN-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA CC(C)(C)[Si](C)(C)OCc1ccc(CC(=O)O)cc1 196876738 XQWYZOLEWPQRES-UHFFFAOYSA-N 280.440 3.836 50 50 CHGA ClCc1nc2ccccc2n1Cc1ccccc1 85279 AIEZSIAPQGBFRC-UHFFFAOYSA-N 256.736 3.823 50 50 CHGA C[C@@H](Br)CCCCCCCCC(=O)O 2387457 GRTAZJUBVKWZPH-SNVBAGLBSA-N 265.191 3.975 50 50 CHGA CC(C)(C)OC(=O)Nc1ccccc1CBr 38922376 RRLOJNBCMQJDHS-UHFFFAOYSA-N 286.169 3.929 50 50 CHGA CC1=C(C#N)C(c2c(F)cccc2Cl)C(C#N)=C(C)N1 407587 GUTDUOFDVFIWOW-UHFFFAOYSA-N 287.725 3.761 50 50 CHGA CCCCCCCC(=O)N/N=C/c1ccc(F)cc1 100382346 RIUOKJGUOJNRLT-SFQUDFHCSA-N 264.344 3.636 50 50 CHGA ClCc1nnc(-c2ccc(Cl)cc2Cl)o1 3883514 PRFJGLYRTYUAFU-UHFFFAOYSA-N 263.511 3.782 50 50 CHGA O=C(Cl)c1cc(-c2ccccn2)nc2ccccc12 40451322 IZGLDEHASPLXFF-UHFFFAOYSA-N 268.703 3.676 50 50 CHGA CCOC(=O)CC[C@@H]1C=C(O[Si](C)(C)C)CCC1 169837285 ZDBIYPYXQWBGAN-GFCCVEGCSA-N 270.445 3.865 50 50 CHGA CC(C)Oc1cccc(/C=N/NC(=O)C2CCCCC2)c1 371080 UGWGFTAVUXXRII-LDADJPATSA-N 288.391 3.504 50 50 CHGA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Cl)c2c1 40451304 LGIYPSISJHZWDP-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA Fc1ccc(F)c(CBr)c1Br 238638596 HKRYODVFJLLNAW-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA COC(=O)/C(C#N)=C/c1ccc(-c2cccs2)s1 5669499 JHZDFWBFJXXKPO-VQHVLOKHSA-N 275.354 3.557 50 50 CHGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1 12362523 RUGTZWGRVCCMKI-MEAXDALNSA-N 264.328 3.506 50 50 CHGA O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 100538915 RBIYAJLOEXUPBA-RVBOFKNWSA-N 297.185 3.899 50 50 CHGA C=CCSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(O)=N1 8973029 LZRLOWGNHYRGTI-LLVKDONJSA-N 287.388 3.701 50 50 CHGA CCCC/C(C)=N\NC(=O)c1cccc(Br)c1 16310291 DFYOBOPNLGGNOR-GDNBJRDFSA-N 297.196 3.745 50 50 CHGA CC(C)(C)[Si](C)(C)Oc1ccccc1[N+](=O)[O-] 195919005 ZZNSCZIZGCCETO-UHFFFAOYSA-N 253.374 3.979 50 50 CHGA Cc1cc2nc(/C(C#N)=C/c3ccco3)[nH]c2cc1C 4820973 VZWKULWMSLDYRD-XYOKQWHBSA-N 263.300 3.837 50 50 CHGA Cc1ccc(/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 4582643 RNXQHCQDESYTIQ-NVNXTCNLSA-N 263.296 3.788 50 50 CHGA Fc1cc(Br)c(N=C=S)c(F)c1F 15444497 NHOXMRPPKYDMQK-UHFFFAOYSA-N 268.057 3.601 50 50 CHGA ClCc1cccc(-c2ncc(Br)cn2)c1 72284427 KHSZEUJOVUJWKR-UHFFFAOYSA-N 283.556 3.645 50 50 CHGA in-vitro CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)/N=C1\O[C@H](CCl)CS1 252680149 WOZMOUDIKWPRNW-VHAWLJEISA-N 287.856 3.928 50 50 CHGA CCOC(=O)CCCCCCCCBr 44082628 KXZBPLOPBKIUTC-UHFFFAOYSA-N 265.191 3.675 50 50 CHGA Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1 15685658 UPXZHIQKJRJQCU-FLIBITNWSA-N 286.718 3.787 50 50 CHGA CCCCC(=O)c1cc(NC(=O)[C@H](F)Cl)ccc1F 2325898737 XUFQWCRLASVSEB-LBPRGKRZSA-N 289.709 3.672 50 50 CHGA Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CCl 308558 GIEOIPYAFRVDON-LLVKDONJSA-N 265.784 3.853 50 50 CHGA Cc1cc(CBr)cc(C(F)(F)F)c1 2382319 GZJBZDJGNUXMNN-UHFFFAOYSA-N 253.061 3.909 50 50 CHGA CC[C@@H](Br)C(=O)N(CC)c1cccc(C)c1 32919722 GGMWSELHDMGTAY-GFCCVEGCSA-N 284.197 3.521 50 50 CHGA FC(F)(F)CCCCCI 85650641 MFFLHHWQAYZAGJ-UHFFFAOYSA-N 266.044 3.544 50 50 CHGA [C-]#[N+][C@@H](c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 100167405 LFYGLAKFGVOWQS-MRXNPFEDSA-N 285.368 3.695 50 50 CHGA COC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1 196011743 QTPQDOOFCLYBBG-UHFFFAOYSA-N 266.413 3.857 50 50 CHGA CC1=C(C#N)CCC(=O)N1Cc1c(C)cc(C)cc1C 169175 YLGOXBMFCHMBED-UHFFFAOYSA-N 268.360 3.532 50 50 CHGA S=C=Nc1nn(Cc2ccccc2Cl)cc1Cl 2536535 ANDWQXYRQLKDIS-UHFFFAOYSA-N 284.171 3.973 50 50 CHGA CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1 33985624 CSWIKHNSBZVWNQ-UHFFFAOYSA-N 295.810 3.541 50 50 CHGA in-vitro Cc1cc(CBr)cc(OC(F)(F)F)c1 16158955 WRJCQRHFOGJLLM-UHFFFAOYSA-N 269.060 3.789 50 50 CHGA in-vitro CC1(C(/C=C/c2ccccc2)=N/NC(N)=O)CCCCC1 298420 BEZYDXQJHCKSFZ-MRBSYODNSA-N 285.391 3.695 50 50 CHGA CCCCSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 2898812 MMDUOIUWEWNNQF-JTQLQIEISA-N 292.429 3.620 50 50 CHGA O=[N+]([O-])c1ccc(Cl)c(CBr)c1Cl 90627490 KAPYAGOYHCUEBB-UHFFFAOYSA-N 284.924 3.797 50 50 CHGA N#CC(C#N)=Cc1ccn(-c2ccc(Br)cc2)c1 4049800 JWDGXHUVBTYXLI-UHFFFAOYSA-N 298.143 3.670 50 50 CHGA CCOC(=O)c1c(N=C=S)sc(C)c1CC 2522246 JTQFJGGAHHWOFV-UHFFFAOYSA-N 255.364 3.530 50 50 CHGA O=C(Cc1cccs1)N/N=C/c1cccc2ccccc12 2584660 YRFIGVXWJGZUED-LDADJPATSA-N 294.379 3.594 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)C(=O)C1 169834501 PIIFULRVBPPSJP-MRVPVSSYSA-N 291.261 3.628 50 50 CHGA ClCc1nc(-c2ccccc2)nc(-c2ccccc2)n1 3124992 CNVGLBUTPMEUDF-UHFFFAOYSA-N 281.746 3.944 50 50 CHGA Br[C@H]1CCc2ccccc2[C@@H]1Br 101016570 LDIQOSRBJPAHHX-UWVGGRQHSA-N 289.998 3.832 50 50 CHGA COc1ccc2c(Cl)c(C(=O)Cl)sc2c1 3160787 DTMXTCKEPQWRPO-UHFFFAOYSA-N 261.129 3.942 50 50 CHGA O=C(CCl)n1c2ccccc2c2cc([N+](=O)[O-])ccc21 2173437 JOLDSLHWXAKMDS-UHFFFAOYSA-N 288.690 3.582 50 50 CHGA Cc1onc(-c2ccc(F)cc2)c1CBr 44672034 NUNXCMWVHVCBMM-UHFFFAOYSA-N 270.101 3.684 50 50 CHGA CCOc1ccc(NC(=O)N/N=C(\C)CC(C)C)cc1 4829287 KEBJUNSBZHQIES-SFQUDFHCSA-N 277.368 3.629 50 50 CHGA Cc1ccc(COc2ccc(C(=O)Cl)cc2)cc1 40451494 YHSDRZQPMLLING-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA Cc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 459633 FUFHYFCGXOFSAR-GYZOOYGHSA-N 290.366 3.779 50 50 CHGA C[C@@H](Cl)C(=O)NC(c1cccs1)c1cccs1 1875363761 YFFXHPAAEDAQQY-MRVPVSSYSA-N 285.821 3.643 50 50 CHGA FC(F)(Br)[C@](F)(Cl)[C@@H](Cl)CCl 95707908 GGKDLFPUVNFPNY-HRFVKAFMSA-N 294.325 3.725 50 50 CHGA C[C@H](Cl)C(=O)Nc1cccc(Cl)c1Cl 3281082 SXPVBALYORNQSR-YFKPBYRVSA-N 252.528 3.559 50 50 CHGA CC1=C(C#N)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 95628197 VLEZVELXWQAPHS-KRWDZBQOSA-N 292.382 3.814 50 50 CHGA CC(C)(C)OC(=O)n1cc(C=C(C#N)C#N)c2ccccc21 1396180 PGELLOHWKPSLTQ-UHFFFAOYSA-N 293.326 3.855 50 50 CHGA C/C(=N\NC(=O)c1ccoc1C)c1ccc2ccccc2c1 232432 DUBHZPHFEVWLJJ-XDHOZWIPSA-N 292.338 3.895 50 50 CHGA CCCCCCCC(=O)NNc1ccc(F)cc1 192579711 UTOXGDPQTWGAGQ-UHFFFAOYSA-N 252.333 3.629 50 50 CHGA CCCCCCCC[C@H]1CCCC1=NNC(N)=O 245309786 GJRNBQHVMVQQSY-LBPRGKRZSA-N 253.390 3.561 50 50 CHGA CC(C)[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 253471180 NKPZZVDGWCCWHP-OAHLLOKOSA-N 264.328 3.666 50 50 CHGA O=C(NNc1ccccc1)c1cc2ccccc2s1 126856356 UVXZMCKKIDNCHA-UHFFFAOYSA-N 268.341 3.658 50 50 CHGA COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@H](Cl)[C@@H]12 254288750 VREJDJQVXUVOSX-RJOBCFILSA-N 281.182 3.907 50 50 CHGA CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)Cl 39425567 JKCIJGYBSVRRHU-JTQLQIEISA-N 261.148 3.880 50 50 CHGA Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl 100076865 JLYXXMFPNIAWKQ-GPIVLXJGSA-N 290.832 3.644 50 50 CHGA in-vitro COc1cccc(/C=C(/C#N)c2ccc(C#N)cc2)c1OC 16228164 RDZBAJULPZPDPQ-YBEGLDIGSA-N 290.322 3.640 50 50 CHGA O=CC1=C[C@H](c2ccc(F)cc2)Nc2ccccc21 332140 ODTMWUBBXJFJQJ-MRXNPFEDSA-N 253.276 3.575 50 50 CHGA CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 1392236 QVCBWMQRUPMBFY-GFCCVEGCSA-N 288.778 3.767 50 50 CHGA N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccccc1 241809 RBFPETVLDQZQBX-CRWKAAGYSA-N 274.323 3.788 50 50 CHGA Clc1ccc(OCCBr)c(Cl)c1 1694634 OEYZGSRLAGSENP-UHFFFAOYSA-N 269.953 3.767 50 50 CHGA C=C(Br)CO[Si](C)(C)C(C)(C)C 169837723 WWDAUNBDJWTZNX-UHFFFAOYSA-N 251.240 3.917 50 50 CHGA Nc1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-] 100042135 TWGHNGNESYMJOQ-UHFFFAOYSA-N 264.175 3.834 50 50 CHGA CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Cl 40451376 JEPKCMXXWQNEFO-GFCCVEGCSA-N 254.757 3.907 50 50 CHGA CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@H](C)Cl 1875364121 FBWXABDYZFYQLD-NSHDSACASA-N 291.782 3.697 50 50 CHGA C[C@H](C(=O)OC(=O)[C@H](C)c1ccccc1)c1ccccc1 80722912 XXVXJBZRUDZPSL-OKILXGFUSA-N 282.339 3.664 50 50 CHGA O=C(Oc1ccc(F)cc1F)c1ccc(CCl)cc1 152823 LEXMKVWCXKHIBU-UHFFFAOYSA-N 282.673 3.923 50 50 CHGA in-vitro ClC1(Cl)[C@@H]2C[C@@H]3[C@H]4C=C[C@@H]([C@@H]4Br)[C@H]3[C@H]21 101047283 AZBHOWSCNFNOFZ-RKSCPOPVSA-N 294.019 3.622 50 50 CHGA Fc1cc(Br)cc(Cl)c1N=C=S 15444535 PEZYIXYCLBLUQK-UHFFFAOYSA-N 266.522 3.976 50 50 CHGA C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Cl 33435441 MQZACNBEDMLXBQ-YFKPBYRVSA-N 253.512 3.526 50 50 CHGA O=C(CCl)COc1cc(Cl)c(Cl)cc1Cl 675068493 YYTJJWQVIBARMG-UHFFFAOYSA-N 287.957 3.834 50 50 CHGA C/C(=N\NC(=O)c1ccccc1Cl)c1cc(C)oc1C 5697635 SLXOPGJBJMQNBN-LICLKQGHSA-N 290.750 3.704 50 50 CHGA CC(C)C(=NNC(=O)Nc1ccccc1)c1ccccc1 252427747 DRIXUDKWBWZWDT-UHFFFAOYSA-N 281.359 3.868 50 50 CHGA Cn1nc(C(F)(F)F)c2cc(CBr)sc21 168343 MFYGUNWIOIAUJB-UHFFFAOYSA-N 299.115 3.549 50 50 CHGA Cc1ccccc1Cn1nc(C)c(N=C=S)c1C 2536604 ZJBFQDUNRKJWKR-UHFFFAOYSA-N 257.362 3.591 50 50 CHGA Cc1cc(NC(=O)CCCCCl)c2ccccc2n1 5783367 SYIXLANRXUNXDC-UHFFFAOYSA-N 276.767 3.891 50 50 CHGA biogenic CC(C)[C@@H]1CC[C@H](C)C/C1=N\NC(=O)C1CCCC1 170609258 DASSSPDCTLLELF-ZELHOUEFSA-N 264.413 3.741 50 50 CHGA O=C(Cl)c1ccc(OC(F)(F)F)c(Cl)c1 2382248 BAFYBTOKEKLGKH-UHFFFAOYSA-N 259.010 3.618 50 50 CHGA in-vitro Cc1ccc(CCC(=O)Nc2ccc(SC#N)cc2)o1 4487902 IAAIFGABEBVYHG-UHFFFAOYSA-N 286.356 3.733 50 50 CHGA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCl)O2 139264159 UZNVMWBLRRJGFR-AWEZNQCLSA-N 254.757 3.640 50 50 CHGA [C-]#[N+][C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 100006689 UXCQPEDHCCJBNL-OAHLLOKOSA-N 289.331 3.526 50 50 CHGA in-vitro C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 1051989 DHSJROPFTIYQDU-RDAAMTITSA-N 292.382 3.639 50 50 CHGA Cc1ccc2c(c1)c(C(=O)[C@@H](C)Br)c(C)n2C 64038124 GINRVUQOFVPGKU-SECBINFHSA-N 294.192 3.761 50 50 CHGA Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 498108 OIKMBMISSRYJKR-DEDYPNTBSA-N 288.350 3.912 50 50 CHGA ClC1CN(C(c2ccccc2)c2ccccc2)C1 32207152 YIYZKCLFOGVBNG-UHFFFAOYSA-N 257.764 3.699 50 50 CHGA in-vitro Cc1cc(C)n2nc(-c3ccccc3)c(SC#N)c2n1 408892681 IWUWIOYGVTYIFZ-UHFFFAOYSA-N 280.356 3.586 50 50 CHGA O=C(CCl)c1cc(Br)cc(Cl)c1F 263623514 IEKDXXJWFQLGNQ-UHFFFAOYSA-N 285.927 3.663 50 50 CHGA CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2)cc1 431645 IUXDBAQWXBKCIH-CPNJWEJPSA-N 280.371 3.748 50 50 CHGA O=C(Nc1cccc2ccccc12)OCCBr 1698070 DVYNYOIFPWKKHB-UHFFFAOYSA-N 294.148 3.783 50 50 CHGA Cc1cccc(COc2cccc(C(=O)Cl)c2)c1 40451539 SCHOJPOQBUDNRN-UHFFFAOYSA-N 260.720 3.953 50 50 CHGA Cc1c(F)c(C)c(F)c(CBr)c1F 1857783629 GTDMFWMMIAQLII-UHFFFAOYSA-N 253.061 3.616 50 50 CHGA Cc1cccc2c(C(=O)Cl)cc(-c3ccncc3)nc12 40451299 DVPYHXDIYZWASO-UHFFFAOYSA-N 282.730 3.984 50 50 CHGA CCCCc1ccc(NC(=O)C(Cl)Cl)cc1 3080946 MDSAORYVMIVTJB-UHFFFAOYSA-N 260.164 3.771 50 50 CHGA Fc1c(Br)ccc(CBr)c1F 91251911 GWRQHKDRZNGUFU-UHFFFAOYSA-N 285.913 3.622 50 50 CHGA ClC(Cl)[C@@H](Cl)[C@@H](Cl)C(Cl)Cl 1723222 SFLXALQSXXPXLU-XIXRPRMCSA-N 264.794 3.809 50 50 CHGA CCOC(=O)N[N+](=O)c1c(Cl)cc(Cl)cc1Cl 334157122 QRWOYCXSEHNGKM-UHFFFAOYSA-O 298.533 3.718 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)/N=C1/O[C@H](CCl)CS1 245312628 WOZMOUDIKWPRNW-SOYHLQOUSA-N 287.856 3.928 50 50 CHGA CC(C)(C)[Si](C)(C)O[C@@H](C=O)c1ccccc1 195827745 YDSRFKLJZYYNOP-ZDUSSCGKSA-N 250.414 3.948 50 50 CHGA O=C(O)c1cc(S(F)(F)(F)(F)F)ccc1O 1083818385 KVJDCMSIZPCNQP-UHFFFAOYSA-N 264.171 3.748 50 50 CHGA COc1ccc2ccccc2c1-c1noc(CCl)n1 66111219 PXNYJUVPFNNOGH-UHFFFAOYSA-N 274.707 3.637 50 50 CHGA N#CC1=C(NC2=CC(=O)CCC2)S[C@@H]2CCCCC[C@@H]12 8643143 RSHLGBJZAINWFA-DZGCQCFKSA-N 288.416 3.644 50 50 CHGA C[Si](C)(C)N(CCCBr)[Si](C)(C)C 169822237 NCITYJREKCYVGX-UHFFFAOYSA-N 282.374 3.743 50 50 CHGA COc1ccccc1COc1ccc(C=C(C#N)C#N)cc1 409489 OOPYFBGSFVYRNW-UHFFFAOYSA-N 290.322 3.705 50 50 CHGA CCc1cccc(C)c1NC(=O)[C@@H](Br)CC 32919701 FQEYEYMDNNCHGH-NSHDSACASA-N 284.197 3.669 50 50 CHGA O=C(NNc1ccccc1F)c1occc1-c1ccccc1 152885629 YWDFDVHCVYZBFH-UHFFFAOYSA-N 296.301 3.843 50 50 CHGA C[C@@H](/C=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1 5006367 CAIKMRQCYMFEBD-HSWQHBDASA-N 291.354 3.687 50 50 CHGA O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1 71256233 UOKRVPVMHIHVQM-UHFFFAOYSA-N 284.031 3.509 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)/N=C1/O[C@H](CCl)CS1 100717853 WOZMOUDIKWPRNW-IDGOGGSLSA-N 287.856 3.928 50 50 CHGA CC[C@H](Br)C(=O)Nc1cccc(Cl)c1C 2141584 ULVZKBBHUYBRTD-QMMMGPOBSA-N 290.588 3.760 50 50 CHGA COc1ccc(O)cc1O[Si](C)(C)C(C)(C)C 261493885 LIEJEYLFDVIGNF-UHFFFAOYSA-N 254.402 3.785 50 50 CHGA O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccccc1 4186742 ATTPIGIYGNSENT-QMBXGQNESA-N 298.773 3.594 50 50 CHGA CCC/C(=N\NC(=O)CCc1ccccc1)c1ccccc1 4954114 CCMRNSRXIMSKLE-CZIZESTLSA-N 294.398 3.940 50 50 CHGA COC(=O)/C(C#N)=C/c1ccc(Sc2ccccc2)o1 2546552 BPUCIIBJJNMVNE-PKNBQFBNSA-N 285.324 3.511 50 50 CHGA N#C/C(=C/c1ccc(C(=O)O)cc1)c1ccc(F)cc1 4748096 QXJYDWJQKVGXCR-ZROIWOOFSA-N 267.259 3.588 50 50 CHGA FC(F)(F)c1cnc(Br)c(CCl)c1 238577964 SIWHXBPXNSLVTM-UHFFFAOYSA-N 274.467 3.602 50 50 CHGA COc1ccc(C(F)(F)F)cc1CBr 39712971 ZGKOXCPOSPRGFQ-UHFFFAOYSA-N 269.060 3.609 50 50 CHGA N#C/C(=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 2866018 HZGBGMAHYKBNBC-ZROIWOOFSA-N 250.257 3.659 50 50 CHGA Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1 12363437 FYGFSTHYAOGHAI-WQLSENKSSA-N 254.245 3.560 50 50 CHGA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2[C@H](Cl)[C@@H](Cl)[C@H]12 254841750 QYAXVGYQBFVYCK-RXDVDPODSA-N 276.166 3.770 50 50 CHGA O=C(CBr)c1c(Cl)ccc(F)c1Cl 16159242 QFVUFUXFUVITSO-UHFFFAOYSA-N 285.927 3.710 50 50 CHGA in-vitro Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 13647045 KMNSBYJUTHMOPK-UVTDQMKNSA-N 259.312 3.936 50 50 CHGA O=C(Nc1ccccc1/C=C/C(F)(F)F)[C@@H](F)Cl 2325897660 COCQPYKPSFXYLY-VUHVRTRXSA-N 281.636 3.735 50 50 CHGA CCCCCCC[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 253470655 VNXSTQCUNXAJPQ-CYBMUJFWSA-N 286.375 3.923 50 50 CHGA COc1ccc2nc(/C(C#N)=C\c3ccc(C)o3)[nH]c2c1 4739917 IUZZQZWWWLBZLB-XFFZJAGNSA-N 279.299 3.537 50 50 CHGA FC(F)(F)c1cnc(Cl)cc1CBr 238578835 RFLQZVDOPPOOHL-UHFFFAOYSA-N 274.467 3.649 50 50 CHGA CCc1cccc(CC)c1NC(=O)NNc1ccccc1 2167654 PZERCKKAAFVZQO-UHFFFAOYSA-N 283.375 3.960 50 50 CHGA N#C[C@@H](Cl)Cc1ccc(SC(F)(F)F)cc1 39966 BNTWKNKLCVTABE-QMMMGPOBSA-N 265.687 3.972 50 50 CHGA N#CC1=C(NC(=O)c2ccc(Cl)c(Cl)c2)CCC1 1425239 DCHOWVFELGJUJY-UHFFFAOYSA-N 281.142 3.685 50 50 CHGA C[C@H]([C]1[CH][CH][CH][CH]1)P(c1ccccc1)c1ccccc1 103673637 LUBDMUBLCGZGSP-MRXNPFEDSA-N 277.327 3.913 50 50 CHGA O=C(Cl)c1cc(Br)c(F)cc1Cl 146952424 HPPVGYAOPDOQMB-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA CC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Cl 40451354 ZLMHQAGTGONDPZ-VIFPVBQESA-N 266.646 3.628 50 50 CHGA O=C(Cl)c1cccc(OCc2ccc(F)cc2)c1 40451529 RMDCMPMMODHFGY-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA COc1ccc(C(=O)[C@@H](Cl)c2ccc(OC)cc2)cc1 3266452 SKMXKLIXWSDSGJ-HNNXBMFYSA-N 290.746 3.867 50 50 CHGA S=C=Nc1ccc(Br)c(Br)c1 15444474 KEDOUGNCWCXGEC-UHFFFAOYSA-N 292.983 3.946 50 50 CHGA O=C(Cl)c1cccc(OCc2ccccc2F)c1 40451532 URFKJFVZBCYMSP-UHFFFAOYSA-N 264.683 3.784 50 50 CHGA Fc1cc(CBr)cc(C(F)(F)F)c1F 2560159 ARGQEGUGAFKWBO-UHFFFAOYSA-N 275.014 3.879 50 50 CHGA CC/C(C)=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 5023694 LMOCRULTVNRWGI-KXUVPBGPSA-N 284.812 3.723 50 50 CHGA O=C(Cl)c1cc(Br)cc(Br)c1 36533211 HLAJZZSBQMLRKM-UHFFFAOYSA-N 298.361 3.591 50 50 CHGA CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](CCl)O2)cc1 495094 YSVLBZCXZDBAJV-HUUCEWRRSA-N 282.811 3.897 50 50 CHGA Fc1cc(N=C=S)c(Br)c(F)c1F 15443796 FCCJBVNBBQITKQ-UHFFFAOYSA-N 268.057 3.601 50 50 CHGA N#CCc1ccc(S(F)(F)(F)(F)F)cc1N 103855643 ZWRCHQXBVCQWHL-UHFFFAOYSA-N 258.215 3.992 50 50 CHGA C[C@@H](Cl)C(=O)N(C1CC1)[C@@H]1CCCOc2ccccc21 1875364335 LQQDEFYJQJDUQG-BXUZGUMPSA-N 293.794 3.519 50 50 CHGA O=C(CCl)N(C1CCCCC1)C1CCCCC1 1586571 YMBSJQHEFLROIX-UHFFFAOYSA-N 257.805 3.719 50 50 CHGA N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc(F)cc1 5051534 BWTLXUNPOGRTJS-ZROIWOOFSA-N 281.286 3.661 50 50 CHGA CCC/C(=N/NC(=O)c1ccccc1)c1ccccc1 4829310 LIMYTIVNYGQDKY-VLGSPTGOSA-N 266.344 3.621 50 50 CHGA CC(/C=C\C=C\c1ccccc1)=N\NC(=O)c1ccoc1C 228913393 ZANXUFFYZXHDSP-BPGQALPASA-N 294.354 3.963 50 50 CHGA Cc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)o1 228341 VQHJRLYTYPZTAB-VCHYOVAHSA-N 284.359 3.784 50 50 CHGA Clc1ccc2ccc(CBr)nc2c1 38418994 WJOPLBNTJYROCF-UHFFFAOYSA-N 256.530 3.783 50 50 CHGA CC(=C/c1ccccc1)/C=N/NC(=O)C1CCCCC1 25725422 WUAYNSSCHHFRJL-FGFUYGETSA-N 270.376 3.772 50 50 CHGA O=C(Nc1ccccc1F)[C@@H](Cl)c1ccccc1 36719899 CBSQOJIMCDSNKK-ZDUSSCGKSA-N 263.699 3.744 50 50 CHGA CCCCCCCCC(=O)N/N=C(\C)c1ccccn1 100471301 QHMNVVXKTZIFGK-NBVRZTHBSA-N 275.396 3.672 50 50 CHGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)N=C1O[C@H](CCl)CS1 2049286288 WOZMOUDIKWPRNW-DYNIEEOBSA-N 287.856 3.928 50 50 CHGA O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H](F)Cl 2325898637 PCEBDVVNUYINQH-JGVFFNPUSA-N 287.615 3.732 50 50 CHGA CCC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cc1 373883 IYCQHBMMZVEZDZ-UHFFFAOYSA-N 262.740 3.919 50 50 CHGA O=C1OC(=O)c2c1cc1ccccc1c2-c1ccccc1 100055082 LZQGZQKISQRHJH-UHFFFAOYSA-N 274.275 3.817 50 50 CHGA CCCCCCCC(=O)N/N=C(\C)c1ccccc1O 100429435 BAVUNVGSNDPREP-GHRIWEEISA-N 276.380 3.593 50 50 CHGA O=C(Cl)c1cc(F)cc(Br)c1Cl 263622989 CSAAGUQTMRKSRB-UHFFFAOYSA-N 271.900 3.621 50 50 CHGA