smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)COC[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NN 2273344 SKRPZVHBBNAYNT-HUUCEWRRSA-N 294.395 1.259 50 50 CDGA O=C(N/N=C\c1cccnc1)c1cccc([N+](=O)[O-])c1 31729498 POBZYYJCIYXZTG-DHDCSXOGSA-N 270.248 1.754 50 50 CDGA CN(C[C@@H]1CCCN1c1cccnn1)C(=O)CCl 1875363552 IWAFYNZAEVRMRP-JTQLQIEISA-N 268.748 1.143 50 50 CDGA CC(C)(C)[Si](C)(C)OCCONC(=N)CCO 408525380 ZKKALJIOFQTLHF-UHFFFAOYSA-N 262.426 1.889 50 50 CDGA CC(C)COc1ccc(C(F)(F)F)cc1B(O)O 169934204 YYWZYPLOMFBKDT-UHFFFAOYSA-N 262.036 1.420 50 50 CDGA Cc1cc(C)cc(OCC(=O)NNC(=O)C2CC2)c1 491591 RGLCEAVXDMMLBL-UHFFFAOYSA-N 262.309 1.240 50 50 CDGA CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Br)C1 39173317 RGWGRRBHQUREDE-ZETCQYMHSA-N 278.146 1.960 50 50 CDGA in-vitro O=[n+]1c(CO)c(CBr)n(O)c2ccccc21 145019467 VIWXLZDTPROHQC-UHFFFAOYSA-N 286.105 1.180 50 50 CDGA CCc1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1 16662191 BFIZDCQZNHTKEB-AWEZNQCLSA-N 261.369 1.451 50 50 CDGA CCc1ccccc1NC(=O)c1cccc(B(O)O)c1F 169744714 AIXSXVSBVDHOEN-UHFFFAOYSA-N 287.099 1.320 50 50 CDGA C/C(=N\NC(=O)c1ccc(O)cc1O)c1ccccn1 5010303 KXAAZOQRVNKROS-CXUHLZMHSA-N 271.276 1.647 50 50 CDGA NC(=O)N/N=C1/CC[C@](C(=O)O)(c2ccccc2)C1 5019456 YZTPLWWUDDJENJ-NWFCWYBLSA-N 261.281 1.217 50 50 CDGA O=C(N/N=C/c1cccnc1)C(=O)Nc1ccc(F)cc1 2344703 FYEQWLOAENAJAP-RQZCQDPDSA-N 286.266 1.310 50 50 CDGA O=S(=O)(CCCCl)NC1CC(Cn2cccn2)C1 1875279517 RGSSSUHXUBVEID-UHFFFAOYSA-N 291.804 1.210 50 50 CDGA O=C(CNC(=O)c1ccco1)N/N=C/c1cccs1 2896809 RECLUEGHOCOHBX-VGOFMYFVSA-N 277.305 1.221 50 50 CDGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 4074210 WIQLLVBXSMNLAI-ZDUSSCGKSA-N 282.303 1.945 50 50 CDGA C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCl 8238945 KZIFNMASMYHZNV-ZETCQYMHSA-N 250.726 1.255 50 50 CDGA O=S1(=O)[C@H]2CCCCC[C@]2(N2CCOCC2)[C@H]1Cl 101042223 NWBMSCJUQNCYMC-SDDRHHMPSA-N 293.816 1.383 50 50 CDGA Cn1ncc(CNC(=O)CCl)c1-n1cccc1 34218969 DWSWSJQBLWXBJU-UHFFFAOYSA-N 252.705 1.066 50 50 CDGA O=C(CCCCBr)Nc1ncc(C(=O)O)o1 725256393 JDAOMDJCNJGQAJ-UHFFFAOYSA-N 291.101 1.877 50 50 CDGA C[C@H](Cl)C(=O)NC1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@H]12 1875364788 UGCCHFWDQCDJGE-FJBCUIFMSA-N 251.757 1.876 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(F)c1 4951074 QNLIQFGEINDSAO-UHFFFAOYSA-N 283.262 1.912 50 50 CDGA Cc1cc(C(=O)N/N=C\c2cc(Cl)ccc2O)[nH]n1 55444192 QGPIKZNYMFIVGT-NSIKDUERSA-N 278.699 1.841 50 50 CDGA N#CC(C#N)=Cc1ccc2c(c1)CCCN2CC(=O)O 12954533 LSKCTKMTYNICJW-UHFFFAOYSA-N 267.288 1.954 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 1875363738 WKIGFVQMKUJNOX-UWVGGRQHSA-N 270.764 1.132 50 50 CDGA Cc1cc(C)nc(/C(C#N)=C(\N)N2CCC(C)CC2)n1 221915010 ZFXWGQGGISWQKE-BUHFOSPRSA-N 271.368 1.976 50 50 CDGA COc1ccsc1S(=O)(=O)NCC(Cl)Cl 585114449 ATYMMKFSELIQNO-UHFFFAOYSA-N 290.193 1.839 50 50 CDGA O=C(NNC(=O)C(Cl)Cl)c1cccc(Cl)c1 298816 UBHPRBWFEJZUQS-UHFFFAOYSA-N 281.526 1.905 50 50 CDGA CC(C)NC(=O)CC(=O)N/N=C/c1ccc(F)cc1 2903429 RCQVKSYYLVUSLT-OVCLIPMQSA-N 265.288 1.191 50 50 CDGA COc1cc2c(cc1OC)[C@@H](NC(=O)CCl)CC2=O 1390597 SGESHEVKSUFROL-VIFPVBQESA-N 283.711 1.686 50 50 CDGA Br[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@@H]2[C@@H]3[C@H]4C12OCCO2 254556587 JCNSSYSVLNRDSQ-HFLDSXRCSA-N 269.138 1.491 50 50 CDGA OB(O)c1cccc2c1Sc1ccccc1S2 169747046 FZEWPLIHPXGNTB-UHFFFAOYSA-N 260.148 1.982 50 50 CDGA in-vitro NNC(=O)COc1ccc2c(c1Br)CCCC2 5023217 OTSXAJQBMQNKET-UHFFFAOYSA-N 299.168 1.697 50 50 CDGA CC(C)(C(=O)/C(C#N)=C/c1ccco1)n1cncn1 1391413 UKWMUBZAGRBDJZ-UXBLZVDNSA-N 256.265 1.782 50 50 CDGA Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1B(O)O 169934583 DBCMLDOLGISAAM-UHFFFAOYSA-N 265.118 1.330 50 50 CDGA in-vitro COC(=O)C(CBr)CBr 1615962 USXVPPOARMSYGY-UHFFFAOYSA-N 259.925 1.565 50 50 CDGA in-vitro Cc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)cc1 169744406 FVJGQGWUJRLPCU-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA OB(O)c1ccc(-c2noc(-c3ccccc3F)n2)cc1 170002300 BFMHERKYPCJKMO-UHFFFAOYSA-N 284.055 1.223 50 50 CDGA O=S1(=O)[C@H]2CCCCC[C@@]2(N2CCOCC2)[C@H]1Cl 216338311 NWBMSCJUQNCYMC-SRVKXCTJSA-N 293.816 1.383 50 50 CDGA Brc1nnc2n1CCOC[C@@H]2Br 536952026 BVDSQRIVRFWTPX-BYPYZUCNSA-N 296.950 1.507 50 50 CDGA CN(C)C(=O)c1cccc(CCNC(=O)CCl)c1 1336910145 OTEKITNESQMONZ-UHFFFAOYSA-N 268.744 1.286 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@H](c2cnn(C)c2)C1 1875380504 QZZXCKXOKDHKDE-UWVGGRQHSA-N 255.749 1.753 50 50 CDGA C[C@H](Cl)C(=O)NCCN(CC(F)F)C1CC1 1875364494 NHFGBSHUMHNOIJ-ZETCQYMHSA-N 254.708 1.459 50 50 CDGA CCC[C@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954491 SSQDKXBPYGPIAY-KGLIPLIRSA-N 281.363 1.674 50 50 CDGA O=C(CCl)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 1875378105 VTBWBTSFLIMNBW-WCQYABFASA-N 271.719 1.647 50 50 CDGA CN(C(=O)CCl)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1875370392 NJEKLAUTNPPYNL-JTQLQIEISA-N 290.791 1.987 50 50 CDGA C[C@@H](Cl)C(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1 1875377530 GKAPQGMSTYXGJJ-SKDRFNHKSA-N 266.728 1.613 50 50 CDGA O=C(NNc1nnc[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1F 253418712 GNQJCNCEKOCRLY-BQBZGAKWSA-N 279.250 1.330 50 50 CDGA C[C@@]12CC3CC(C(=O)NNC(N)=S)(C1)C[C@](C)(C3)C2 16809826 XHVNXXWAEFOJGE-HJHQOWQESA-N 281.425 1.847 50 50 CDGA CCCCCOc1cc(OC(F)(F)F)cc(B(O)O)c1 169934685 KPXIDLPMGPLNPS-UHFFFAOYSA-N 292.062 1.834 50 50 CDGA O=C1CC[C@H](NC(=O)Sc2ccccc2)C(=O)O1 101362958 LHSLJUXFXPFIGW-VIFPVBQESA-N 265.290 1.721 50 50 CDGA COc1ccc(OC)c(/C=N\NC(=O)c2cnccn2)c1 32617901 HBLIFNDCSCCGMX-IUXPMGMMSA-N 286.291 1.258 50 50 CDGA CC(C)OC(=O)NNC(=O)CNc1ccc(C#N)cc1 585089954 SCRVRFGHRNICBQ-UHFFFAOYSA-N 276.296 1.136 50 50 CDGA CCCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 169988620 BRWQBZOIHHLYAX-UHFFFAOYSA-N 279.145 1.518 50 50 CDGA CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@@H](C)Cl)C2 1875366954 DZYHUQQNJMZSAU-DTWKUNHWSA-N 299.758 1.418 50 50 CDGA O=C(NNC(=O)c1cccnc1)Nc1ccccc1 361755 XYKAUCVQKPRTFZ-UHFFFAOYSA-N 256.265 1.548 50 50 CDGA COC(=O)c1cc(NC(=O)CCl)cc(C(=O)OC)c1 2530995 ILALKWMZDWXQCV-UHFFFAOYSA-N 285.683 1.437 50 50 CDGA O=C(NCCc1ccccc1)C(=O)NN=C1CCCCC1 4697543 OFBJHBDVVQKWCF-UHFFFAOYSA-N 287.363 1.782 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 32511735 KQOOOOLBGCVJQD-VGOFMYFVSA-N 274.280 1.196 50 50 CDGA O=C(CCl)N1CC[C@H](c2nc(C3CC3)no2)C1 1875368976 UMLBWZYGJQSTIS-QMMMGPOBSA-N 255.705 1.502 50 50 CDGA Cc1ccc(C[C@H](CO)CNC(=O)CCl)cc1 1875377630 JBUSAHDTCWQLEP-LBPRGKRZSA-N 255.745 1.501 50 50 CDGA Cc1nccc(N2CCC(NC(=O)CCl)CC2)n1 1875364214 JSEWZZRSAWQKIT-UHFFFAOYSA-N 268.748 1.109 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccc(F)c1 8748081 VGBCDNBNPVWSLD-JTQLQIEISA-N 284.250 1.127 50 50 CDGA CC[C@@H]1[C@@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 804160 XOZDECPIZZEJAZ-ZIAGYGMSSA-N 295.346 1.201 50 50 CDGA O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1 2456505 BATOJIAFBGRSEQ-UHFFFAOYSA-N 266.728 1.210 50 50 CDGA CCOCCc1nnc(NC(=O)C(Cl)Cl)s1 2875720 BNTJFBIWCWDWTL-UHFFFAOYSA-N 284.168 1.859 50 50 CDGA COC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl 3129988 KHDSCYSLNOSEOR-QWWZWVQMSA-N 250.509 1.462 50 50 CDGA CC(C)CCOC(=O)/C(C#N)=C/C=C1/OCCN1C 4831626 GXCVKQQCQJXIMT-QGVJZHQLSA-N 264.325 1.829 50 50 CDGA CCc1[nH]nc2c1[C@@]1(CCO[C@H]1C)C(C#N)=C(N)O2 6530419 CIUPEIIWGDUNAE-WPPNPWJKSA-N 260.297 1.105 50 50 CDGA CCO[Si](CCCN1C=NCC1)(OCC)OCC 170159661 WBUSESIMOZDSHU-UHFFFAOYSA-N 274.437 1.769 50 50 CDGA CC[n+]1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 3064959 VOLXOQPOLIJOLM-RQZCQDPDSA-O 298.322 1.487 50 50 CDGA Cn1c(CCCNC(=O)CCl)nc2cc(F)ccc21 1875367807 OOMZYQKKBAGMAS-UHFFFAOYSA-N 283.734 2.000 50 50 CDGA CC(C)[C@@H](NC(=O)CCl)c1nnc2n1CCC2 1875363947 FNRPXKFJXBUCJD-SNVBAGLBSA-N 256.737 1.276 50 50 CDGA CCOc1cccc(N2CCN(C(=O)[C@H](C)Cl)CC2)n1 1875364900 XPSRCNRMJMPGQS-NSHDSACASA-N 297.786 1.756 50 50 CDGA CCNC(=O)NNC(=S)Nc1ccccc1C 2167574 VDWKTRWYIMOQAC-UHFFFAOYSA-N 252.343 1.516 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2O)C1 100191154 KFDZBIOHUZHVNU-UHFFFAOYSA-N 274.320 1.900 50 50 CDGA Cc1nn2c(C)c(C(=O)NN)nnc2c1-c1ccccc1 72406685 HVZBYHRVMCZSJL-UHFFFAOYSA-N 282.307 1.012 50 50 CDGA C[C@H](Cl)C(=O)NCCCc1nc(C2CC2)n[nH]1 1875364747 SFSLAZRFSDCBJT-ZETCQYMHSA-N 256.737 1.358 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)[C@@H]1n1cccn1 1875380770 ZFGPVKXHSOWMBC-MMWGEVLESA-N 271.748 1.345 50 50 CDGA C[C@H](Cl)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 1875363531 HOUJCUYHUBXTBK-NSHDSACASA-N 286.803 1.865 50 50 CDGA CC(C)OC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585089950 NWGITKKAZCBIQU-GARJFASQSA-N 254.330 1.979 50 50 CDGA CN(NC(=O)c1cn(C)nc1C1CCCC1)C1CC1 911295933 LQXOCMAJECNICE-UHFFFAOYSA-N 262.357 1.817 50 50 CDGA CCC(C)=NNC(=O)c1n[nH]c(=O)c2ccccc12 252680384 ZWVINXQEESFECH-UHFFFAOYSA-N 258.281 1.439 50 50 CDGA O=C(Nc1ccc(B(O)O)cc1F)OCc1ccccc1 169745620 WAIJUOHEXSJBQE-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA in-vitro COc1cc(/C=C(\C#N)C(N)=O)c([N+](=O)[O-])cc1OC 4825045 QXQNQUBSIXWOQB-FPYGCLRLSA-N 277.236 1.004 50 50 CDGA O=C(N/N=C\c1ccccc1O)c1ccc(O)cc1 22016992 KBVOYZBDPPDBHJ-DHDCSXOGSA-N 256.261 1.862 50 50 CDGA COC1([C@H](C)NC(=O)C(C)(C)CCl)CCOCC1 1875284101 LYWIDCGCLUYYFB-JTQLQIEISA-N 277.792 1.952 50 50 CDGA Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](C)Cl 1875364226 KQWIYGCQCLASGE-SECBINFHSA-N 272.732 1.451 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1ccc(B(O)O)c(F)c1 169744577 AJKOUFSAKKYIEG-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccncc2)c1 2209851 QSZLETGWRTXCSH-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA N=[S@]1(=O)CCN(C(=O)CCl)c2ccccc21 1875377239 BAHIXMNQIMFPID-INIZCTEOSA-N 258.730 1.678 50 50 CDGA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)CCl)C1 1875377556 HCLWRVBSCOFDPR-LLVKDONJSA-N 266.728 1.319 50 50 CDGA CCc1cnc(N2CCN(C(=O)[C@@H](C)Cl)CC2)s1 1875363910 DIKWIFMYFCELRD-SECBINFHSA-N 287.816 1.981 50 50 CDGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccc(O)c1 15018489 YWHLIOVDVZWVPJ-UHFFFAOYSA-N 295.298 1.787 50 50 CDGA CCCc1nnc(-c2ccc3cc(B(O)O)ccc3c2)o1 170002218 WQOPWIJZWOQFMT-UHFFFAOYSA-N 282.108 1.522 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(CNc3ccccc3)C=C[C@H]2O1 239433753 YKKQPWSHQGPICJ-ZAZJYDDPSA-N 271.272 1.122 50 50 CDGA C=CCc1cccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 229193 DRJKSBWFBPVOBB-CXUHLZMHSA-N 284.319 1.916 50 50 CDGA CCCCOc1cc(C(F)(F)F)ccc1B(O)O 169955314 ANPGTROEWQTIHP-UHFFFAOYSA-N 262.036 1.564 50 50 CDGA CCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1782789 YSAJKPJSWHWUBO-UHFFFAOYSA-N 251.242 1.156 50 50 CDGA O=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCC1 2892477 NPVOXPNWFBPJDS-OQLLNIDSSA-N 279.727 1.413 50 50 CDGA CCOC(=O)N1CCC(=O)[C@@H](Br)C1 12649805 DVJZXYGZKFZHQX-LURJTMIESA-N 250.092 1.181 50 50 CDGA in-vitro C[C@H](Cl)C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 1875366341 CFYRAUWBDJKJOU-OIBJUYFYSA-N 295.726 1.523 50 50 CDGA Cc1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1 169745023 KLHBTAWDTXMJLT-UHFFFAOYSA-N 275.113 1.413 50 50 CDGA in-vitro CC(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 2134298 QSRAYAAZCRUBBX-UHFFFAOYSA-N 277.324 1.189 50 50 CDGA Cc1ccc(-n2ncc(C(=O)NN)c2C(F)(F)F)cc1 2522131 JHHXEVPETPWJRU-UHFFFAOYSA-N 284.241 1.803 50 50 CDGA C/C(=N\NC(=O)c1ccnn1C)c1cccc([N+](=O)[O-])c1 4697395 HWMHWIWXKUCNRA-OQLLNIDSSA-N 287.279 1.482 50 50 CDGA O=C(NNC(=O)c1coc(C2CCC2)n1)c1ccoc1 767779761 VTWSXYDEIPSPOG-UHFFFAOYSA-N 275.264 1.610 50 50 CDGA CC(C)(C)c1ccc(C(=O)NNC(N)=S)cc1 5379942 YIFZFWGAJHIVHN-UHFFFAOYSA-N 251.355 1.462 50 50 CDGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cccnc1 381403 ZBONYXDQBSSYKN-RQZCQDPDSA-N 299.286 1.309 50 50 CDGA O=C(CCl)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1875375107 RDSWOQDBCBMWSF-YPMHNXCESA-N 271.719 1.552 50 50 CDGA Cn1nc(C2CCC2)cc1C(=O)NNC(=O)c1ccccn1 2325766150 GHFIWJRIIVHPFA-UHFFFAOYSA-N 299.334 1.157 50 50 CDGA COc1cc(/C=C(\C#N)c2n[nH]c(N)c2C#N)ccc1O 8566138 WCAKSXQRFBVWDG-RUDMXATFSA-N 281.275 1.642 50 50 CDGA CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Cl)CC2 1875364780 UCDKCBKCIBOGIU-IUCAKERBSA-N 270.764 1.460 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccnc1 227611 AZBPLNRNLLASGG-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA C/C(=N\NC(=O)Cc1cccn1C)c1ccccc1O 12362392 CVNPXYJWSSOPBX-LFIBNONCSA-N 271.320 1.814 50 50 CDGA COc1ccc(/C=C/C=N\C(C#N)=C(/N)C#N)cc1 169621096 DYOZTESMEPQUOP-UOMQUDCVSA-N 252.277 1.997 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccoc1 207706 QGNGQBYMCCGUSU-LBPRGKRZSA-N 274.276 1.924 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccc(O)cc2)cc1 2872939 HNLHCRDWTIDWDL-UHFFFAOYSA-N 270.288 1.775 50 50 CDGA CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@H](C)Cl)C2 1875366953 DZYHUQQNJMZSAU-BDAKNGLRSA-N 299.758 1.418 50 50 CDGA Cc1cccc(C)c1NC(=O)c1ccc(F)c(B(O)O)c1 169744120 CHJDUXDVLGUAJJ-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA OB(O)c1ccc(-c2csc(-c3cccnc3)n2)cc1 169744720 BRRUQLJIXNIGPZ-UHFFFAOYSA-N 282.133 1.552 50 50 CDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccnc1 43689 MGYBJMLMSYLMAK-LBPRGKRZSA-N 271.276 1.336 50 50 CDGA COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 17837060 FCXPBEPGSSNKLA-UHFFFAOYSA-N 295.298 1.781 50 50 CDGA CCCc1n[nH]c2c1C1(CCN(C)CC1)C(C#N)=C(N)O2 9320802 CKFQLBPVTOVOFU-UHFFFAOYSA-N 287.367 1.412 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccccc1 40934604 QRHZWNUTPGHNKT-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccc(C(=O)O)cc1 71742 VXSSDWZLWKFNRG-MHWRWJLKSA-N 285.303 1.416 50 50 CDGA C[C@H](Cl)C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1875367258 JKBPIOLBVRVMCS-CABZTGNLSA-N 271.748 1.169 50 50 CDGA CN(C[C@@H]1OCCN(C)[C@@H]1c1ccccc1)C(=O)CCl 1875377411 DJEDSSAZLASQGE-DZGCQCFKSA-N 296.798 1.756 50 50 CDGA Cn1c(CNC(=O)CCl)cc(=O)n1-c1ccccc1 1875367666 AZELOBKTTACNJF-UHFFFAOYSA-N 279.727 1.031 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 1875368197 YKNJWTDRHONKTR-MNOVXSKESA-N 280.755 1.783 50 50 CDGA OB(O)c1cccc(OCc2ccc(Cl)cc2)c1 169877241 TYILTVKJHDWCKU-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CC1(C)[C@@H](N)C[C@H]1NC(=O)[C@@]1(C)C[C@@H]1Br 1615002079 DJOWZQKTHWOEFL-SDCKUUTBSA-N 275.190 1.402 50 50 CDGA O=C(N/N=C1\CCCN1)c1ccc(Br)cc1 4070898 QKAHAXIACNFPOK-UHFFFAOYSA-N 282.141 1.876 50 50 CDGA in-vitro N#C/C(=C/c1cc2c(cc1Br)OCO2)C(N)=O 2493721 AUGCKRROZYJYHQ-XFSBKJJWSA-N 295.092 1.570 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 1875363996 GZZSGUPICUDYEC-MNOVXSKESA-N 286.759 1.085 50 50 CDGA CC(C)c1cc(O)nc(N2CC[C@@H](NC(=O)CCl)C2)n1 1875377175 ANXGADLORMZURW-SECBINFHSA-N 298.774 1.239 50 50 CDGA NS(=O)(=O)c1cc(C(=O)Cl)ccc1Cl 21299972 SCYSJFKWFQZRJW-UHFFFAOYSA-N 254.094 1.366 50 50 CDGA Cn1ncc(I)c1CCl 536952214 OFQPLRDUQFPMKC-UHFFFAOYSA-N 256.474 1.764 50 50 CDGA Cc1ccccc1NC(=O)c1cc(B(O)O)ccc1Cl 169744097 ZFESIGJSSXGOGK-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA C[C@]1(C(=O)NNc2nccnc2Cl)CCCO1 132957162 YYHMNFTYTDQSFH-SNVBAGLBSA-N 256.693 1.142 50 50 CDGA C[C@@H](Cl)C(=O)NCc1c2c(nn1C)CCCC2 1875366058 FGQVSBYUKMIBHN-MRVPVSSYSA-N 255.749 1.542 50 50 CDGA C[C@H](Cl)C(=O)NCCS(=O)(=O)c1cccs1 1875376105 MNFARYZOOLQXCY-ZETCQYMHSA-N 281.786 1.265 50 50 CDGA COc1ccc(NCC(=O)N/N=C/c2ccco2)cc1 584003 LURUZIMEFDNOFM-CXUHLZMHSA-N 273.292 1.850 50 50 CDGA NC(=O)N/N=C(/c1ccc2c(c1)OCCO2)C1CC1 433933 IVEVOIJHTQKILG-NTCAYCPXSA-N 261.281 1.240 50 50 CDGA CCOC(=O)[C@]1(CC)CCCN1C(=O)[C@H](C)Cl 1875377672 KPJGKCRHEYNQNC-CABZTGNLSA-N 261.749 1.948 50 50 CDGA COc1ccc(NC(C)=O)cc1CNC(=O)CCl 106664 OZTHUWPKFACMCT-UHFFFAOYSA-N 270.716 1.509 50 50 CDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1O 4786174 HFAHNBPEWVJWOU-CYBMUJFWSA-N 298.302 1.651 50 50 CDGA Cc1ccc2nc(C(F)(F)F)cc(B(O)O)c2c1 170002063 RCYBUGAHTLJORX-UHFFFAOYSA-N 255.004 1.242 50 50 CDGA Cc1[nH]nc2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2 585145667 TUIFNSAFXXDZGN-OAHLLOKOSA-N 292.302 1.076 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1cc(O)cc(O)c1 66183 IJAOYEXCQHKGJI-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA N#Cc1ccc(OCC(=O)N/N=C\c2ccncc2)cc1 34367002 ZSMNRESUKDKHAX-ZDLGFXPLSA-N 280.287 1.482 50 50 CDGA O=C(Cc1cccs1)N/N=C/c1ccc(O)c(O)c1 314505 OHDHQWUPMSEMMI-RIYZIHGNSA-N 276.317 1.852 50 50 CDGA COC(=O)c1cc(Cl)cc(CNC(=O)CCl)c1O 20220688 UNYVXHWUJZHFSA-UHFFFAOYSA-N 292.118 1.687 50 50 CDGA CC(C)(C)[Si](C)(C)OCCOC[C@@H](O)CO 585661712 QQJYWUHCQACCPA-JTQLQIEISA-N 250.411 1.378 50 50 CDGA Cc1nc(N(C)C)sc1CCNC(=O)[C@H](C)Cl 1875363438 AFISUERWOZXDDL-ZETCQYMHSA-N 275.805 1.804 50 50 CDGA CO[Si](OC)(OC)[C@@H](CNCCN)Cc1ccccc1 169747141 WVXRXDRLELTNIS-CQSZACIVSA-N 298.459 1.026 50 50 CDGA NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 34925085 OAPYNKXLVTWAOZ-UHFFFAOYSA-N 273.267 1.682 50 50 CDGA O=C(N/N=C/c1ccc[nH]1)c1ccccc1[N+](=O)[O-] 264991 NOQOQSPUJJMGBE-RIYZIHGNSA-N 258.237 1.687 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2F)cc1 169744665 ZXCVMLGANMYNOS-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA CN1CCN(CCNC(=O)CCl)[C@@H](c2ccccc2)C1 1875362970 JQRRPCMDCNNHQL-CQSZACIVSA-N 295.814 1.330 50 50 CDGA Cn1ccnc1[C@@H](NC(=O)CCl)C(F)(F)F 1875367793 NPMUBZUAQVGFEQ-ZCFIWIBFSA-N 255.627 1.379 50 50 CDGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 299511 SKYSCUNZRYTOHC-UHFFFAOYSA-N 299.286 1.599 50 50 CDGA COc1ccc(OC/C(N)=N/NC(=O)OC(C)(C)C)cc1 43769290 BBHMGDULNTXIJP-UHFFFAOYSA-N 295.339 1.871 50 50 CDGA O=C(CCl)NC[C@@H]1C=C(OCc2ccccc2)NO1 1875376795 IWLMMTCAFKYJKO-NSHDSACASA-N 282.727 1.303 50 50 CDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 32534144 IGGISYUBGOYLQH-ZDUSSCGKSA-N 282.303 1.945 50 50 CDGA O=C(NNc1ccccn1)c1ccc2cc[nH]c2n1 779545117 QIDHBRADDXKTLT-UHFFFAOYSA-N 253.265 1.715 50 50 CDGA N#Cc1ccc(NNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc1 926638696 KVDGQHQMPOBLNH-XQQFMLRXSA-N 299.334 1.170 50 50 CDGA CSc1ccc(/C=N\NC(=O)c2cnccn2)cc1 30718976 PKZNCNZLCKYXHY-PXNMLYILSA-N 272.333 1.962 50 50 CDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccncc1 61571 PIEWMLRJDLRRIA-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2)c1 4229707 LKWFWMUEUYNERI-YBFXNURJSA-N 295.342 1.875 50 50 CDGA O=C(Nc1cccc(F)c1)c1ccc(Cl)c(B(O)O)c1 169744609 WOQDYEKRZSZYHA-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cn1cccc1CC(=O)N/N=C/C=C/c1ccco1 1798757 JIZSWFPNBFZAJT-JFNDZESESA-N 257.293 1.976 50 50 CDGA CC[C@@H]1CN(C(=O)CCl)C[C@@]2(CCCOC2)O1 1875377525 GJPCEWHDOCVGJV-ZYHUDNBSSA-N 261.749 1.412 50 50 CDGA Cc1cc2c(c(=O)o1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 281032 YIZOUIBDVWBMDY-LBPRGKRZSA-N 281.271 1.561 50 50 CDGA CC[C@@H]1[C@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 804162 XOZDECPIZZEJAZ-UONOGXRCSA-N 295.346 1.201 50 50 CDGA O=C(NNC(=S)NC1CCCCC1)c1ccco1 373782 WOVORRMGEUQWEV-UHFFFAOYSA-N 267.354 1.721 50 50 CDGA CCOC(=O)NN=Cc1ccc(OC)cc1OC 254911758 OAZBAKPXSVIJCN-UHFFFAOYSA-N 252.270 1.784 50 50 CDGA NNC(=O)CSCC(=O)Nc1ccc(Cl)cc1 2506169 ORZAROFYNWNJAS-UHFFFAOYSA-N 273.745 1.002 50 50 CDGA COc1ccc(Cl)cc1NC(=O)NNC(=O)CC#N 3086254 IHJSTHIWBULXCL-UHFFFAOYSA-N 282.687 1.415 50 50 CDGA CCc1noc([C@H]2CC[C@@H](NC(=O)CCl)C2)n1 1354195474 YUISFOSWZVOXNH-JGVFFNPUSA-N 257.721 1.623 50 50 CDGA Cc1cccc(NC(=S)NNC(=O)C[C@H](C)O)c1C 8578521 AUSNOHVBJLPVPE-VIFPVBQESA-N 281.381 1.392 50 50 CDGA CC(C)c1nnc(CCNC(=O)[C@H](C)Cl)s1 1875366098 LPJYMJYOAROYRO-ZETCQYMHSA-N 261.778 1.948 50 50 CDGA CC(C)S(=O)(=O)C1CCN(C(=O)[C@@H](C)Cl)CC1 1875378210 XLQWMRAVVLDQMA-SECBINFHSA-N 281.805 1.428 50 50 CDGA COc1ccc(CC(=O)NN=C2CCN(C)CC2)cc1 55007641 OHCUFXXJOBIXLR-UHFFFAOYSA-N 275.352 1.436 50 50 CDGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1(C#N)C#N 1394429 YQTXKKOZSLZRBD-UHFFFAOYSA-N 290.238 1.164 50 50 CDGA C[C@@H](Cl)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 1875363550 IURSUPKJYJLOKG-RNFRBKRXSA-N 286.681 1.235 50 50 CDGA CCN1CCN(CC(=O)N/N=C/c2cccc(C)c2)CC1 19594914 XMUADXFGHQMTKW-SFQUDFHCSA-N 288.395 1.083 50 50 CDGA COc1ccc([C@@H](NC(=O)CCl)[C@H](C)O)cc1 1875374781 DYFROJLANVLJCB-UFBFGSQYSA-N 257.717 1.472 50 50 CDGA O=C(NNC(=S)Nc1ccccc1F)c1ccncc1 2166205 HSXYXPVXKLCRHE-UHFFFAOYSA-N 290.323 1.852 50 50 CDGA OB(O)c1cc(OC2CCCC2)c(Cl)cc1Cl 169934425 RFDLUZMLHLCHJL-UHFFFAOYSA-N 274.940 1.995 50 50 CDGA in-vitro COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 4360478 KGIWUCJAIXQAHU-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O 1875363905 DEOBTTJJJFEDPT-NHCYSSNCSA-N 280.755 1.924 50 50 CDGA CCC[C@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954493 SSQDKXBPYGPIAY-KBPBESRZSA-N 281.363 1.674 50 50 CDGA CC(C(=O)NCCSS(C)(=O)=O)=C1CCCC1 1558071259 CEGMEHSLCHRGRX-UHFFFAOYSA-N 277.411 1.686 50 50 CDGA COc1ccc([C@@H](O)[C@@H]2CCCN2C(=O)CCl)cc1 1875378170 WQQWSLHSPOURIW-GXTWGEPZSA-N 283.755 1.958 50 50 CDGA O=C(CCl)N[C@]1(CO)CCCN(Cc2ccccc2)C1 1875374962 LYFPDUHWDIZOEA-OAHLLOKOSA-N 296.798 1.369 50 50 CDGA O=C(CCl)NCC1CCN(C(=O)c2ccccc2)CC1 1875364615 ZJHGPTRWDIKCQZ-UHFFFAOYSA-N 294.782 1.894 50 50 CDGA C=CCCC(=O)N(CC=C)S(=O)(=O)CBr 43199288 OMWZMFRHKPEGOE-UHFFFAOYSA-N 296.186 1.649 50 50 CDGA CCOc1ccc(Br)c(B(O)O)c1Cl 169748004 KRYOSFPUNATDPK-UHFFFAOYSA-N 279.326 1.181 50 50 CDGA in-vitro O=C(N/N=C/c1cccnc1)[C@@H]1COc2ccccc2O1 291147 CCTCXJGFYPCIBK-VEJKBTLKSA-N 283.287 1.372 50 50 CDGA Cn1cccc1CC(=O)NNC(=S)NC1CCCCC1 609788 NQBFLBSMXMOALO-UHFFFAOYSA-N 294.424 1.396 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccco1 100368410 CJOPVJZRSRWIME-UHFFFAOYSA-N 255.233 1.366 50 50 CDGA O=C1OC(=O)[C@H]2[C@H]1[C@H]1OC[C@H]2c2c1cccc2[N+](=O)[O-] 104257994 AEKDKATZWIHCHJ-AOCCWBLSSA-N 275.216 1.079 50 50 CDGA OB(O)c1cc2cc(Br)ccc2s1 169747453 RUQKSUMPFAJLNQ-UHFFFAOYSA-N 256.917 1.344 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1O 256886 AGGRVUVLUGVNPX-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccncc2)c1 2098641 QUHVDGTWKKLWCM-LICLKQGHSA-N 282.303 1.479 50 50 CDGA NNC(=O)c1cccc(NC(=O)c2ccccc2)c1 311282 BAUKLLQHOKRVCO-UHFFFAOYSA-N 255.277 1.542 50 50 CDGA O=C(COc1ccccc1)N/N=C1/C(=O)Nc2ccccc21 6581438 NYYPBTRDNIAYIB-UHFFFAOYSA-N 295.298 1.538 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccncc2)c1O 61589 VWLOTRPSIVIFDW-CXUHLZMHSA-N 271.276 1.560 50 50 CDGA in-vitro N#CC1=C(N)Oc2ccc([N+](=O)[O-])cc2[C@@H]1C(C#N)C#N 15636473 CJCUIGZMAFKOEK-LBPRGKRZSA-N 281.231 1.428 50 50 CDGA COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)CCl 1875374952 LMWIQBTWMFMVHT-JQWIXIFHSA-N 283.755 1.762 50 50 CDGA CCOC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 61913 BDZOKVLURQFWED-YCRREMRBSA-N 290.231 1.794 50 50 CDGA CC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 1754170 MGCPWLJGFPEECI-UHFFFAOYSA-N 261.203 1.878 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2sccc2C1=O 1875378160 WPOQYNDFTMFQPL-HTRCEHHLSA-N 257.742 1.989 50 50 CDGA CCOC(=O)[C@@H]1C(O)=C(C#N)C(=O)[C@H]2CCCC[C@@H]21 101022129 AYTDRHDKHKNQHE-QXEWZRGKSA-N 263.293 1.890 50 50 CDGA NNC(=O)c1cc(C(F)(F)F)c2ccccc2n1 66322679 FSXUUZNRIABWCE-UHFFFAOYSA-N 255.199 1.857 50 50 CDGA C[C@]1(CNC(=O)CCl)OCCc2ccccc21 1337601419 HQDZJTIOVLQSGN-CYBMUJFWSA-N 253.729 1.830 50 50 CDGA O=C(N/N=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 254371 POBZYYJCIYXZTG-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA OB(O)c1ccccc1OCc1ccc(C(F)(F)F)cc1 203102071 JMJOAUMIIUYJOC-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA CN(Cc1ccc(F)c(B(O)O)c1)c1ccccc1 203193438 XNNOIVXBOXYBFW-UHFFFAOYSA-N 259.089 1.142 50 50 CDGA C[C@@H](NC(=O)CCl)c1nc(C(F)(F)F)no1 1875365840 VXXUCECMIPNTBQ-GSVOUGTGSA-N 257.599 1.504 50 50 CDGA CN1CC[C@@H](NC(=O)CCl)[C@@H]1c1ccc(F)cc1 1875377941 RUAQENMXMRUEHF-YPMHNXCESA-N 270.735 1.926 50 50 CDGA CCOC(=O)[C@@H](Br)CBr 2044154 OENICUBCLXKLJQ-BYPYZUCNSA-N 259.925 1.708 50 50 CDGA CCCC(=O)NNC(=O)COc1ccc(Cl)cc1 2865044 KDSHQNFJLQEQNS-UHFFFAOYSA-N 270.716 1.666 50 50 CDGA O=C(N/N=C/c1ccncc1)C(=O)Nc1ccccc1 25757501 WVOGUKWMGRZONX-MHWRWJLKSA-N 268.276 1.170 50 50 CDGA CC(=O)OCc1c(C)cc(C)c(/C=N/NC(N)=O)c1C 285985 ZHVSAQHDQZEFND-OMCISZLKSA-N 277.324 1.677 50 50 CDGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccco1 12343109 CZWGYOHMBRFRJN-DWKHYPNZSA-N 286.287 1.960 50 50 CDGA C[C@H](Cl)C(=O)N1CCn2c(C#N)ccc2[C@H]1C 1875374196 FDFUCPCOBMBNEE-DTWKUNHWSA-N 251.717 1.890 50 50 CDGA O=C(CCl)N1CCN2C(=O)CC[C@@]12c1ccccc1 1875378012 UBFHQQQOEMCMJZ-AWEZNQCLSA-N 278.739 1.543 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cccc(N2CCOCC2)n1 1875366542 UXJGCOWYKUPZKI-SNVBAGLBSA-N 283.759 1.162 50 50 CDGA O=C(NNC(=O)C1CCCCC1)C(=O)NC1CCCCC1 2956702 BEOGKTQAUXGMOH-UHFFFAOYSA-N 295.383 1.163 50 50 CDGA O=S1(=O)[C@H](Cl)[C@]2(N3CCOCC3)CCCCC[C@H]21 254836157 NWBMSCJUQNCYMC-WOPDTQHZSA-N 293.816 1.383 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@@H]1OCC[C@H](O)[C@H]1O 1501018229 KKFGQPZYDWCKRC-GARJFASQSA-N 262.422 1.519 50 50 CDGA O=C(CCl)N[C@@H]1CCS(=O)(=O)c2ccccc21 1875363625 OCYPHLPRTQZWGO-SECBINFHSA-N 273.741 1.260 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 1875367156 SCDIODZOPPRASC-YGOYTEALSA-N 274.748 1.351 50 50 CDGA Cc1cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)[nH]n1 586858 SPRSVDGWWRZBFJ-UHFFFAOYSA-N 293.714 1.838 50 50 CDGA O=C(N[C@@H](O)C(Cl)(Cl)Cl)C(Cl)Cl 2674948 YOEMHTGJWPMTRK-VKHMYHEASA-N 275.346 1.595 50 50 CDGA CCCc1[nH]nc2c1[C@]1(CCO[C@H]1C)C(C#N)=C(N)O2 6529070 ZNSGXBZFMUKTOO-RTHLEPHNSA-N 274.324 1.495 50 50 CDGA Cc1ccccc1NC(=O)c1cccc(B(O)O)c1F 169744671 YMWVHPLQZTYHKQ-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA O=C(CCl)NC[C@H]1CC(=O)N(c2ccccc2)C1 1875368002 IDMGBDGWTLVQHZ-SNVBAGLBSA-N 266.728 1.395 50 50 CDGA CC(C)OCc1nnc([C@@H](C)NC(=O)CCl)s1 1875389890 HHXKFQOHDGLCLI-SSDOTTSWSA-N 277.777 1.879 50 50 CDGA CC(=O)N1Cc2ccc(NC(=O)CCl)cc2C1 1319786034 USTQHHJXQPQJHE-UHFFFAOYSA-N 252.701 1.726 50 50 CDGA Cc1ocnc1C(=O)NNC(=O)N1CCC[C@@H]2CC[C@@H]21 2325781044 FUPLPLSFNZPTMH-ZJUUUORDSA-N 278.312 1.212 50 50 CDGA O=C(NNC(=S)NCc1ccco1)c1cccs1 2222475 WTFWDCBUBGAVJV-UHFFFAOYSA-N 281.362 1.650 50 50 CDGA O=C1C2=C(SCCS2)C(=O)N1CBr 3130215 FKHRVXZMCFXXOB-UHFFFAOYSA-N 280.168 1.399 50 50 CDGA Cc1cnc(SCC(=O)NN)c(Br)c1 215963759 BCSWMXJFYMLTJS-UHFFFAOYSA-N 276.159 1.235 50 50 CDGA CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1O 5686463 OOXPRIHQCOXTLG-OVCLIPMQSA-N 288.307 1.586 50 50 CDGA CCn1nc(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1C 13136075 DHINARXJUHIUTC-CYBMUJFWSA-N 298.350 1.770 50 50 CDGA in-vitro Cn1ccc([C@@H](NC(=O)CCl)C(F)(F)F)c1 1875377446 DVAONAKRZYTHHE-MRVPVSSYSA-N 254.639 1.984 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccnc(N2CCC[C@H](O)C2)c1 1875377617 IWAQQQNTWILARV-JQWIXIFHSA-N 297.786 1.286 50 50 CDGA COC(=O)C[C@@H](NC(=O)CCl)C1CCCCC1 1875364156 GBAPKMBKMHRZEO-SNVBAGLBSA-N 261.749 1.853 50 50 CDGA O=C(N/N=C1\CC(=O)c2ccccc21)c1ccncc1 102300031 ACNJCDNDCYDXFY-GHRIWEEISA-N 265.272 1.802 50 50 CDGA CC(=O)N[C@H]1C(=O)N(CCBr)c2ccccc21 100709564 YKVWMQQFMVTYNZ-LLVKDONJSA-N 297.152 1.605 50 50 CDGA OB(O)c1cc(OC2CCCC2)cc(OC(F)(F)F)c1 169934226 HPSHUTQIASVROT-UHFFFAOYSA-N 290.046 1.586 50 50 CDGA in-vitro O=C(N/N=C/c1cccc(O)c1)c1cc(C2CC2)[nH]n1 5687349 JIRZZYHFXQUOHM-OVCLIPMQSA-N 270.292 1.757 50 50 CDGA CN(C(=O)c1cc(B(O)O)ccc1Cl)C1CCCCC1 169744023 QFKAIZXJNWXPER-UHFFFAOYSA-N 295.575 1.425 50 50 CDGA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@H](C)Cl)n2)c1 1875376280 RBIHUWJRRJYQQQ-IUCAKERBSA-N 293.758 1.980 50 50 CDGA N#CCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F 3086253 VDZJYEPGJKRYOF-UHFFFAOYSA-N 286.213 1.772 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O 1875375393 BBSROSRWUDARSK-CIUDSAMLSA-N 299.758 1.494 50 50 CDGA CCCCOc1ccc(/C(C#N)=C2\NC(N)=NC2=O)cc1 3900223 XKUOWUGXENWWJN-SEYXRHQNSA-N 284.319 1.545 50 50 CDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(O)c1 7813141 LEGSGICHQMWUSJ-LICLKQGHSA-N 297.314 1.789 50 50 CDGA O=C(N/N=C/c1cccs1)c1[nH]nc2c1CCC2 8690029 RHTNOJVNXRSZGT-NTUHNPAUSA-N 260.322 1.724 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@]2(CCCO2)[C@@]12CCCO2 257357712 PMWXIFKDHCXLAT-ZNNLQBODSA-N 290.315 1.216 50 50 CDGA C[n+]1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 333197 FCYLJRSWIJPRTF-UHFFFAOYSA-O 284.295 1.004 50 50 CDGA Cc1ccc(S(=O)(=O)[N@@]2C[C@]2(C)CCl)cc1 1857524772 WEBFWKRVIFRTOY-AAEUAGOBSA-N 259.758 1.997 50 50 CDGA CC(C)(C)C(=O)NNC(=O)Cn1ccc2ccccc21 14776064 DGQQHZINOFVTHO-UHFFFAOYSA-N 273.336 1.835 50 50 CDGA O=C(CC1OCCCO1)NNc1ccc(F)cc1 170607902 OPCNNBTWZYWXQI-UHFFFAOYSA-N 254.261 1.422 50 50 CDGA O=C(CC(=O)NN=C1CCCC1)NN=C1CCCC1 5289866 CNRHSSUEAWBCBG-UHFFFAOYSA-N 264.329 1.469 50 50 CDGA NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 18148544 LCYQGEZMQHCWLJ-UHFFFAOYSA-N 252.277 1.833 50 50 CDGA O=C(CCl)NCc1cccc(-c2ccccn2)n1 1875367757 KCDAESVVAXIULV-UHFFFAOYSA-N 261.712 1.999 50 50 CDGA C[C@H](Cl)C(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 1875376298 RSTLOWDRUZVHHN-JKOKRWQUSA-N 267.756 1.896 50 50 CDGA C[C@@H](Cl)C(=O)N1CC(=O)N(C)[C@H]1c1ccccc1 1875377527 GKAPQGMSTYXGJJ-BXKDBHETSA-N 266.728 1.613 50 50 CDGA Cc1occc1C(=O)N/N=C/c1ccc(O)c(O)c1 249445 JDHZHCKEHJIFNY-VGOFMYFVSA-N 260.249 1.763 50 50 CDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 32534142 IGGISYUBGOYLQH-CYBMUJFWSA-N 282.303 1.945 50 50 CDGA Cc1nc2ccccn2c(=O)c1CCBr 222969634 BGVUGXDAUFRSGJ-UHFFFAOYSA-N 267.126 1.940 50 50 CDGA CCCOc1cc(B(O)O)ccc1OC(F)(F)F 169964691 PRZBWPNYGNZDDJ-UHFFFAOYSA-N 264.008 1.054 50 50 CDGA OB(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 169988546 CUFCSCZISVFDAT-UHFFFAOYSA-N 282.026 1.932 50 50 CDGA C[C@H](Cl)C(=O)NCc1cccc(-n2cncn2)c1 1875364726 RRUWDPCYSOVRDP-VIFPVBQESA-N 264.716 1.511 50 50 CDGA O=C(CCl)N[C@H]1Cc2cc(Br)cnc2C1 1875378222 XUBSFHABDLEOED-QMMMGPOBSA-N 289.560 1.666 50 50 CDGA O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@H](F)Cl 2325898072 RIDXQGANYQWAJW-UWVGGRQHSA-N 276.739 1.428 50 50 CDGA N#C/C(N)=C(\C#N)NC(=O)Nc1ccc(Cl)cc1 1386498 JFUPPGJOKIIZBR-KTKRTIGZSA-N 261.672 1.679 50 50 CDGA O=C(N/N=C/c1ccco1)[C@@H]1CC(=O)N(c2ccccc2)C1 448633 OYNCGJBHRQUBMO-YXHQGMJNSA-N 297.314 1.783 50 50 CDGA CC(C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)N1CCCCC1 1875376325 SNNDNPOGMOVBCA-MNOVXSKESA-N 274.792 1.767 50 50 CDGA O=C1C[C@H]2C=CC[C@H]2[C@@H](CI)O1 71785999 BZZSVPLCVCXWDM-BWZBUEFSSA-N 278.089 1.929 50 50 CDGA CCCCCC[C@@H]1C[C@@H](C(C)=NNC(N)=O)OC1=O 252677985 BZWDETNHJPQLHP-MNOVXSKESA-N 269.345 1.933 50 50 CDGA CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CCl)C1 1320466000 BRXJLFSELBQBJB-JTQLQIEISA-N 260.765 1.236 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2cccc(O)c2)c2ccccc21 3183260 MLQQMLRUXLDNGF-VKAVYKQESA-N 295.298 1.503 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccc(N)cc2)cc1 15636549 SGYOVTMACFFCNS-UHFFFAOYSA-N 269.304 1.652 50 50 CDGA N#CC(C(N)=O)=C1CCC2(CC1)OCCCCO2 199620 AXSSDWMKFGXWOR-UHFFFAOYSA-N 250.298 1.389 50 50 CDGA O=S(=O)(O)SCCNCCCCCCCCCO 31570676 RFBZMIKSEGRCBT-UHFFFAOYSA-N 299.458 1.835 50 50 CDGA Cc1ccc(OCC(=O)NNC(=O)c2ccco2)c(C)c1 444970 XCRRQKQXDXLWID-UHFFFAOYSA-N 288.303 1.736 50 50 CDGA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCl 307653554 LLGZTABCADAUIW-DGCLKSJQSA-N 266.772 1.862 50 50 CDGA C[Si]1(C)CN(C(=O)CCl)C[Si](C)(C)O1 195791821 SXNIBDPVTHZOIN-UHFFFAOYSA-N 251.862 1.573 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccnc1 50200 IFTJSWBIMVIQBU-OVCLIPMQSA-N 270.248 1.754 50 50 CDGA O=C(Nc1cccc(B(O)O)c1F)OCc1ccccc1 169977969 GPYSCKJJXWJIPC-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA O=C(CCl)N[C@@H]1Cc2cc(Br)cnc2C1 1875378221 XUBSFHABDLEOED-MRVPVSSYSA-N 289.560 1.666 50 50 CDGA O=C(CCl)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 1875378316 ZKUKEAWIYMCQBM-ZIAGYGMSSA-N 296.798 1.224 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1 1875376504 ZDKLCCUZKVCUNF-KOLCDFICSA-N 278.743 1.680 50 50 CDGA O=C(Nc1ccccc1Cl)c1ccc(B(O)O)cc1 1587135207 XVMZTRLIHUGIFN-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA OB(O)c1ccc(OC(F)(F)F)c(OCC2CC2)c1 169964700 URWSCFHZPDJHPY-UHFFFAOYSA-N 276.019 1.054 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccn1 4598783 FNBDPHZLHPSQEP-UHFFFAOYSA-N 266.260 1.168 50 50 CDGA C[C@H](Cl)C(=O)N1CCNC(=O)[C@H]1c1cccs1 1875364296 NKHKJSZPMFRUKG-IONNQARKSA-N 272.757 1.375 50 50 CDGA O=C(Cl)[C@H]1CC(=O)N(CCc2ccccc2)C1 33435312 IQEQMBNXMBVLTQ-NSHDSACASA-N 251.713 1.843 50 50 CDGA COc1nccnc1NNC(=O)[C@]1(C)CC1(Cl)Cl 131751519 IELOHKZLSDKKOM-VIFPVBQESA-N 291.138 1.512 50 50 CDGA COc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 169743814 PZLVPMBCKHDVKT-UHFFFAOYSA-N 291.112 1.113 50 50 CDGA in-vitro OB(O)c1ccc(COCc2cccs2)c(F)c1 169926372 NDGQEZWBWVUOHS-UHFFFAOYSA-N 266.102 1.284 50 50 CDGA in-vitro CCOc1cccc(N2CCN(C(=O)[C@@H](C)Cl)CC2)n1 1875364899 XPSRCNRMJMPGQS-LLVKDONJSA-N 297.786 1.756 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cn(-c2ccccc2)nn1 1875364699 QTDUJMOIBRIZBJ-SECBINFHSA-N 264.716 1.511 50 50 CDGA NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 2576197 AMJPEVIUIHAAOF-UHFFFAOYSA-N 264.288 1.900 50 50 CDGA O=C(O[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccccc1 4158940 SZDZBVCLTQMPQC-NXEZZACHSA-N 274.725 1.248 50 50 CDGA CCOC(=O)C[C@@H](F)CI 96028540 WUUBUKVGTSSUEO-RXMQYKEDSA-N 260.046 1.713 50 50 CDGA CCOC(=O)[C@@]1(CC)CCCN1C(=O)[C@@H](C)Cl 1875377671 KPJGKCRHEYNQNC-BXKDBHETSA-N 261.749 1.948 50 50 CDGA O=C(CN1CCCCC1)N/N=C/c1ccccc1[N+](=O)[O-] 3153847 WHOOMGCIIBRMHK-XNTDXEJSSA-N 290.323 1.531 50 50 CDGA CN1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1 57415280 XHSFLZGUIWIGIJ-AWEZNQCLSA-N 289.335 1.024 50 50 CDGA O=C(Nc1cc(B(O)O)ccc1F)OCc1ccccc1 169746222 IKYWKFFZZURZER-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA in-vitro OB(O)c1ccc(Oc2ccc(Cl)cc2F)cc1 169935290 UQQJHJBZZCELBT-UHFFFAOYSA-N 266.464 1.951 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1 4335694 MCONCLXBKDXLJR-MHWRWJLKSA-N 283.287 1.481 50 50 CDGA CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](C)Cl)CC2 1875364779 UCDKCBKCIBOGIU-DTWKUNHWSA-N 270.764 1.460 50 50 CDGA CNC(=S)NNC(=O)CSCc1cccc(C)c1 2858397 INLOVXPEJHWWPC-UHFFFAOYSA-N 283.422 1.353 50 50 CDGA O=C1CC(CC(=O)N/N=C/c2ccccc2Cl)=NN1 100588785 NFLGJEXQDMYODY-VGOFMYFVSA-N 278.699 1.056 50 50 CDGA CCOC(=O)c1ccncc1NC(=O)NCCCl 526055991 JAKHQRYJMPXIFI-UHFFFAOYSA-N 271.704 1.619 50 50 CDGA COCC(=O)NNC(=O)Nc1ccc(F)c(Cl)c1 5060881 VGLZITIIHXRVGS-UHFFFAOYSA-N 275.667 1.278 50 50 CDGA Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C#N)=C(N)O2 18323489 SFAHAQRKBPVZJH-LLVKDONJSA-N 285.328 1.963 50 50 CDGA CC(C)N(C)C1CCN(CCNC(=O)CCl)CC1 1875379631 SJHPLRJCGIRZEK-UHFFFAOYSA-N 275.824 1.146 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)c1 4261049 FLDOUKQTFIWWPM-LICLKQGHSA-N 297.314 1.789 50 50 CDGA O=C(NN=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccncc1 100461464 WDXNIVZPQNBFLV-YWGVVOLTSA-N 285.347 1.738 50 50 CDGA O=C1OC(=O)C(Br)=C1Br 8100894 GEKJEMDSKURVLI-UHFFFAOYSA-N 255.849 1.071 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)C1[C@@H]2CCCC[C@@H]12 100300370 MVKOHWIZOLGASS-NXEZZACHSA-N 283.331 1.895 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 5072943 QLMGBRFLOCYLFD-NSHDSACASA-N 298.277 1.436 50 50 CDGA OB(O)c1c(F)ccc(OCc2ccccc2F)c1F 169877263 FZRDUMLPMRLTOK-UHFFFAOYSA-N 282.026 1.363 50 50 CDGA in-vitro Cc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 229172 OXHUKPHHBNZAJD-LZYBPNLTSA-N 267.292 1.963 50 50 CDGA Cc1nn(C)c(C)c1[C@H](NC(=O)CCl)C(F)(F)F 1875363529 HOHSFCDEYLHODQ-VIFPVBQESA-N 283.681 1.995 50 50 CDGA NNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 266234 DRDGWEUCSUKCAG-UHFFFAOYSA-N 281.113 1.443 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 1875363549 IURSUPKJYJLOKG-NKWVEPMBSA-N 286.681 1.235 50 50 CDGA O=C(CCl)NC[C@@H]1CC(=O)c2ccccc2O1 1335465118 LNOYPJYMHSOKEL-QMMMGPOBSA-N 253.685 1.375 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccs1 232479 YIPDMOCUDZGFOV-NTUHNPAUSA-N 262.290 1.923 50 50 CDGA CCCCCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744474 HYVGKJPPQYRNFJ-UHFFFAOYSA-N 297.591 1.720 50 50 CDGA COCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@H](C)Cl 1875366796 BGSWLKUCTPXKQU-YGOYTEALSA-N 295.770 1.839 50 50 CDGA C[C@@H](Cl)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1 1875363887 CTYRAIVCEVKGKG-LLVKDONJSA-N 289.851 1.535 50 50 CDGA CCOC(=O)[C@@H](Br)C(=O)c1ccccn1 136221611 NJQLMEKGVBIVIL-QMMMGPOBSA-N 272.098 1.591 50 50 CDGA NNC(=O)c1cc(-c2ccccc2Br)n[nH]1 40217067 KGLCXYFVOVDBLM-UHFFFAOYSA-N 281.113 1.443 50 50 CDGA Cc1cccc([C@H](CNC(=O)CCl)N2CCOCC2)c1 1116437575 IIBRYUPZBAWWPG-AWEZNQCLSA-N 296.798 1.723 50 50 CDGA O=C(CCl)N1C[C@@H](CO)[C@H](c2ccsc2)C1 1875375117 RLNGGHAMYBOTMS-UWVGGRQHSA-N 259.758 1.521 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccnc(N2CCC[C@H](O)C2)c1 1875377618 IWAQQQNTWILARV-PWSUYJOCSA-N 297.786 1.286 50 50 CDGA CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Cl)C[C@@]1(C)C(F)F 1875368572 AUVGZDQKCNZUFG-YVZVNANGSA-N 297.729 1.907 50 50 CDGA C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)Cl 1875378294 YWJTVTGVFJPNHW-UWVGGRQHSA-N 293.754 1.529 50 50 CDGA OB(O)c1cc(F)c(OCc2ccccc2)c(F)c1 169748193 YWUHRGQYLQMLHW-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA OB(O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 201297283 YOOCRETZGVJDBF-UHFFFAOYSA-N 289.943 1.656 50 50 CDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(Cl)cc1 100609597 XVAKTUNBZPUHLI-BXRZMRDGSA-N 292.726 1.302 50 50 CDGA O=C(N/N=C/c1ccco1)[C@H]1COc2ccccc2O1 147059 OPFBQGORAOGBAG-MGMWDDNKSA-N 272.260 1.570 50 50 CDGA COc1ccc(OCC(=O)N/N=C2\CCSC2)cc1 204680 FEZKLHOHWQENNZ-GXDHUFHOSA-N 280.349 1.683 50 50 CDGA NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 13154662 YMFKNGJOSASFBL-UHFFFAOYSA-N 260.341 1.481 50 50 CDGA COC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl 3129986 KHDSCYSLNOSEOR-DMTCNVIQSA-N 250.509 1.462 50 50 CDGA O/N=C1\[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 245237091 FLIVZDHPXLXDIL-LYTYXQEPSA-N 254.127 1.968 50 50 CDGA CS(=O)(=O)c1cc(C#N)cc(NC(=O)CCl)c1 1875377746 MQOMBYWLWXPWFC-UHFFFAOYSA-N 272.713 1.139 50 50 CDGA Cc1cc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[nH]n1 5687190 HZWNOJSOAKKNMU-VGOFMYFVSA-N 272.264 1.180 50 50 CDGA C#CCSc1nnc(NC(=O)CCCl)s1 407947186 AVZRCNAVHXYKHX-UHFFFAOYSA-N 261.759 1.831 50 50 CDGA CCC(=O)N1CC[C@H](NC(=O)CCl)[C@@H](CC)C1 1875379208 OFIXQWZUFQOLGJ-UWVGGRQHSA-N 260.765 1.379 50 50 CDGA CCOC(C)(OCC)C(=O)NNC(=O)CCC(C)C 170610610 FUMZUGPRYCWFII-UHFFFAOYSA-N 274.361 1.359 50 50 CDGA Cn1cnc(CCCNC(=O)C(C)(C)CCl)n1 1875284182 NZLLJLMCPALQRB-UHFFFAOYSA-N 258.753 1.129 50 50 CDGA O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CCCO1 1212402 APBJXYXKOLBZPA-LLVKDONJSA-N 298.726 1.045 50 50 CDGA C[C@H](NC(=O)CCl)C(=O)OCc1ccccc1 216129472 MCCDXIHDGQRDHN-VIFPVBQESA-N 255.701 1.473 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1cccc(B(O)O)c1F 169744695 XKXIXQLAZWDVNZ-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA CC(C)CN(C(=O)CCl)[C@H](C)CO[C@@H]1CCOC1 1875382502 DISURMDZFQEMRY-VXGBXAGGSA-N 277.792 1.904 50 50 CDGA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)Cl)n1 1875364450 MWASSTDTTLFXSF-MNOVXSKESA-N 295.770 1.947 50 50 CDGA O=C1C2=C(SCCS2)C(=O)N1CCBr 3130216 YBCKHWIFMWYBQK-UHFFFAOYSA-N 294.195 1.442 50 50 CDGA OB(O)c1ccc(-c2noc(Cc3ccccc3)n2)cc1 170002342 DALQPWLDIBISTH-UHFFFAOYSA-N 280.092 1.007 50 50 CDGA Cc1cc(Cl)c(B(O)O)cc1OCc1cccnc1 169955358 VCXPIUOLAHBTGX-UHFFFAOYSA-N 277.516 1.302 50 50 CDGA COCc1nc([C@@H]2CCCCN2C(=O)[C@H](C)Cl)n[nH]1 1875366173 XOABGMKDGYIYCM-IUCAKERBSA-N 286.763 1.632 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1ccc(B(O)O)cc1F 169744259 CTNSPBINUMQZFG-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA O/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 252497871 FLIVZDHPXLXDIL-WFQCXHGNSA-N 254.127 1.968 50 50 CDGA O=C1Cn2c(nc3ccccc32)[P@@](=O)(c2ccccc2)N1 407390 DLIRLFGOSLMGMU-NRFANRHFSA-N 297.254 1.395 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)c1ccc(F)cc1 583868 FHTXHSIKRWYHAX-UHFFFAOYSA-N 272.279 1.829 50 50 CDGA CCCCOCCC(=O)NNC(=O)CCc1ccccc1 22018549 NZAMEPMIUKLFMB-UHFFFAOYSA-N 292.379 1.973 50 50 CDGA CC(C)N(C(=O)c1ccc(Cl)c(B(O)O)c1)C(C)C 169744294 JMOGMRRAYYBPAT-UHFFFAOYSA-N 283.564 1.279 50 50 CDGA OB(O)c1cc(C(F)(F)F)ccc1C(F)(F)F 169747859 CVZMLRIREADJRS-UHFFFAOYSA-N 257.926 1.404 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2oc(=O)n(C)c2c1 1875363877 CFZFTGGJLVQYDO-ZCFIWIBFSA-N 254.673 1.697 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccccc1F 73513 BRWCXONPDJUABH-MHWRWJLKSA-N 259.284 1.857 50 50 CDGA COc1ccccc1C(=O)NNC(=O)C[C@@H](C)CN(C)C 1616037877 PXGRZRZEQJPVFC-LLVKDONJSA-N 293.367 1.044 50 50 CDGA N#C[C@@H]1CN(C(=O)CCl)C[C@]12C(=O)Nc1ccccc12 1875375168 SVRZHTOBCMDCHX-OTYXRUKQSA-N 289.722 1.097 50 50 CDGA O=C1c2ccccc2C(=O)N1OCCCBr 1668141 QCHIILZRVOHYGP-UHFFFAOYSA-N 284.109 1.999 50 50 CDGA CC[C@@H](Br)C(=O)Nc1ccc(C(N)=O)cc1 61487608 NBMWPHHNRLPZCX-SECBINFHSA-N 285.141 1.898 50 50 CDGA CC(C)COc1cc(B(O)O)c(Cl)cc1Cl 169934405 NIDCPTZXOXJCGW-UHFFFAOYSA-N 262.929 1.708 50 50 CDGA in-vitro C[C@@H](Cl)C(=O)NCC(=O)c1cccc2c1OCCO2 1875378140 WIKMSSXLOQDSTI-MRVPVSSYSA-N 283.711 1.384 50 50 CDGA CCN1C[C@@H](CN(C)C(=O)CCl)Oc2ccccc21 1116433764 FDRINZIPSDSMKJ-LLVKDONJSA-N 282.771 1.971 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccs1 2147490 YCDJPLGSMCQRMT-UHFFFAOYSA-N 260.347 1.966 50 50 CDGA O=C(CSS(=O)(=O)O)N1CCc2ccccc21 2835904 BIOZNKPTYMLSDL-UHFFFAOYSA-N 273.335 1.112 50 50 CDGA O=C(Nc1cc(F)cc(B(O)O)c1)OCc1ccccc1 169746582 NTWYMKQJTIUFRD-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA in-vitro CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(O)nc1 585136112 QTPVIQXNYMOGDQ-JYRVWZFOSA-N 289.335 1.625 50 50 CDGA O=C(CSc1ncccn1)N/N=C/c1ccccc1O 233703 MHKRVHWHEQHIGV-LZYBPNLTSA-N 288.332 1.425 50 50 CDGA O=C(CCl)NCc1ccc(OCC(F)(F)F)nn1 1875367687 DUGDEGGPRFDUNP-UHFFFAOYSA-N 283.637 1.273 50 50 CDGA COC(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl 3129987 KHDSCYSLNOSEOR-IUYQGCFVSA-N 250.509 1.462 50 50 CDGA O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 1713761 NOIIUHRQUVNIDD-UHFFFAOYSA-N 298.346 1.023 50 50 CDGA aggregator,world Cc1c(C(=O)NN)cnn1-c1ccc(Br)cc1 2532537 RROILEAHRIKONR-UHFFFAOYSA-N 295.140 1.547 50 50 CDGA N#CCC(=O)NNC(=S)NCc1ccc(Cl)cc1 2852627 MRKHEIAZAUVMPT-UHFFFAOYSA-N 282.756 1.249 50 50 CDGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/N(C)C 254378658 XESZOAPVBXKBTH-BQYQJAHWSA-N 279.321 1.442 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cnccn2)c1 231066 WJLCDTYVDBIMIN-LZYBPNLTSA-N 256.265 1.249 50 50 CDGA C/C(=N/NC(=O)c1cccnc1)c1cc(O)ccc1O 246713 OKKVSWCQIQNTPK-SXGWCWSVSA-N 271.276 1.647 50 50 CDGA N#Cc1cc2c(nc1O)CC[C@@H](Br)C2=O 2075031 VOIOOSTYKDNWQI-SSDOTTSWSA-N 267.082 1.551 50 50 CDGA in-vitro COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5249173 ALLSFTOHZUKUHC-CXUHLZMHSA-N 284.319 1.671 50 50 CDGA COC(=O)N[C@@H]1CC=CC[C@H]1I 5049155 DNCIBAZYUKVQIF-RNFRBKRXSA-N 281.093 1.865 50 50 CDGA O=C(N/N=C/c1ccc2c(c1)OCCO2)c1cnccn1 5897153 UYQFUOKYMCJFES-CAOOACKPSA-N 284.275 1.012 50 50 CDGA CCN(CC(=O)N/N=C(/C)C(=O)O)c1ccccc1 4948764 FHJNNIRBCDTPJM-UVTDQMKNSA-N 263.297 1.090 50 50 CDGA Cc1cc(OCc2ccccc2)cc(C)c1B(O)O 170026978 CMCVDHBBWOUHOU-UHFFFAOYSA-N 256.110 1.562 50 50 CDGA NC(=O)c1cccc(NC(=O)CBr)c1 35605409 MHSIILLVTXLPBT-UHFFFAOYSA-N 257.087 1.119 50 50 CDGA Cc1cc(C)nc(NNC(=O)[C@]2(N)C[C@H]2c2ccccc2)n1 911883915 SFEIKWSNRYCJAG-BBRMVZONSA-N 297.362 1.422 50 50 CDGA Cc1ccc([C@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511205 YISIIJDKYGEHIN-NSHDSACASA-N 252.281 1.295 50 50 CDGA Cc1c(/C=N/NC(=O)c2ccc(F)cc2)cnn1C 371439 MDYBBNNUNVORBS-VIZOYTHASA-N 260.272 1.632 50 50 CDGA O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 299861 STZPEMQQGNHVKW-UHFFFAOYSA-N 286.247 1.065 50 50 CDGA COc1cccc(C(=O)NNC(=O)c2cccs2)c1 299467 KSJZLBSESIBQGM-UHFFFAOYSA-N 276.317 1.832 50 50 CDGA Cc1ocnc1C(=O)NNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2325783492 AHWOFTHJRDVIQE-HRDYMLBCSA-N 299.277 1.425 50 50 CDGA CCCNC(=O)/C(C#N)=C\c1cc(C(=O)OCC)no1 585135823 DGILUQINAJGWCM-TWGQIWQCSA-N 277.280 1.284 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 1875363998 GZZSGUPICUDYEC-WDEREUQCSA-N 286.759 1.085 50 50 CDGA COC(=O)[C@@H]1CCN(C(=O)CCl)[C@@H]1c1ccccc1 1875368841 ASEIULWBPWNSRM-DGCLKSJQSA-N 281.739 1.988 50 50 CDGA CCC(=O)N/N=C(\C)c1ccc(S(C)(=O)=O)c(OC)c1 222172022 SXZMJEYNKMBVCQ-NTEUORMPSA-N 298.364 1.349 50 50 CDGA Cc1cccc(C(=O)NNC(=O)Cc2ccccc2)c1 66155287 AYGMAKSYSXPXJG-UHFFFAOYSA-N 268.316 1.999 50 50 CDGA NNC(=O)CC(O)(c1ccccc1)c1ccccc1 1601976 SXTUVELWCHPJMA-UHFFFAOYSA-N 256.305 1.303 50 50 CDGA C#CCOCCOCCOCCOCCBr 258329721 BITLDNUKJCDASJ-UHFFFAOYSA-N 295.173 1.081 50 50 CDGA in-vitro C[C@@H](Cl)C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 1875366569 YBGSNKBLZGDPND-PWSUYJOCSA-N 274.792 1.183 50 50 CDGA Cc1cccc(N2CCN(C(=O)CCl)[C@@H](C)C2)n1 1875364852 WDIIADRCELIOKW-NSHDSACASA-N 267.760 1.666 50 50 CDGA C[C@H](Cl)C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 1875379970 ASDIRSJDMYTPSX-WDCWCFNPSA-N 261.749 1.409 50 50 CDGA C[C@H](NC(=O)CCl)c1ccc(N2CCOCC2)cc1 1320466874 SSUCMLUQHABHCP-NSHDSACASA-N 282.771 1.939 50 50 CDGA OB(O)c1ccccc1COc1cccc(Cl)c1 169926339 CZSNGGUCHUTFIJ-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CCCCCOCC(=O)NNC(=O)c1cccc(Cl)n1 585114248 RPWJNJMALBWEBY-UHFFFAOYSA-N 299.758 1.703 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccc(CO)nc2)cc1 354538 ZGTCLCUDLAUTQJ-CAOOACKPSA-N 285.303 1.346 50 50 CDGA O=C(CCl)NC1(c2nccc(C(F)(F)F)n2)CC1 1875370108 BTHGHBFEWYXTDV-UHFFFAOYSA-N 279.649 1.840 50 50 CDGA C[C@H](Cl)C(=O)NCC1(S(C)(=O)=O)CCCC1 1875366501 PXVBMCRRROPBMG-QMMMGPOBSA-N 267.778 1.087 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1ccoc1C 358404 NYIZEXHPNHZNDF-UHFFFAOYSA-N 258.277 1.971 50 50 CDGA COC(=O)c1ccccc1NC(=O)NCCCl 2557921 NUKAPQXOPXRWBX-UHFFFAOYSA-N 256.689 1.834 50 50 CDGA CC(C)(C)OC(=O)NNC(=S)NC[C@H]1CCCO1 2856147 CXPWLTZFOULNPZ-MRVPVSSYSA-N 275.374 1.069 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccn1 227864 XLEFYHMYRLRNSG-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1O 325534 LAJMOGSMIOFQKG-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA O=C(NNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 3958866 PBTMSHOIEFZUJB-UHFFFAOYSA-N 275.220 1.263 50 50 CDGA CC(C)OC(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585089949 NWGITKKAZCBIQU-DCAQKATOSA-N 254.330 1.979 50 50 CDGA O=C(CCl)OCn1c(=O)sc2ccccc21 5740030 CMQBBLLDQIJUOZ-UHFFFAOYSA-N 257.698 1.803 50 50 CDGA CO[C@H]1COc2ccccc2[C@H]1NC(=O)CCl 1875369015 MXDSRZNQUFSDEL-CMPLNLGQSA-N 255.701 1.490 50 50 CDGA NNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 136857 HCFAFCPATPSURI-UHFFFAOYSA-N 252.277 1.833 50 50 CDGA COC(=O)c1c(NC(=O)CCl)sc(C(N)=O)c1C 2569088 KNIKCCUYRNUKPD-UHFFFAOYSA-N 290.728 1.119 50 50 CDGA Cc1nn(Cc2ccc(C(=O)NN)cc2)c(C)c1[N+](=O)[O-] 375608 JWMSESWWXNCYIC-UHFFFAOYSA-N 289.295 1.060 50 50 CDGA O=C(NNC(=O)[C@H]1CCCS1)c1ccnc(C2CC2)n1 819661215 HHDASFBCDWWXRK-SNVBAGLBSA-N 292.364 1.011 50 50 CDGA N#C[C@H](NC(=O)CCl)c1cnn(-c2ccccc2)c1 1875251990 QRGZNUYEQZXHTK-LBPRGKRZSA-N 274.711 1.792 50 50 CDGA CCOC(=O)c1ccc2c(c1)C[C@@H](NC(=O)CCl)C2 1875369148 UFQGMACHHOKAHJ-LBPRGKRZSA-N 281.739 1.686 50 50 CDGA CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12 196111060 OGMYIGRGJGXLLH-UHFFFAOYSA-N 287.124 1.867 50 50 CDGA N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H]1CCCO1 265684 IDTDUTZKWVLQOU-CEFACKQISA-N 272.304 1.594 50 50 CDGA O=C(CCl)NCc1ncnn1-c1ccccc1 1875375233 VYOJCBBQIDESLY-UHFFFAOYSA-N 250.689 1.122 50 50 CDGA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)CCl)n1 1875364890 XIICDPKDZKDGOY-JTQLQIEISA-N 281.743 1.558 50 50 CDGA Cc1ccc(B(O)O)cc1OCCCN1CCC(C)CC1 230529120 YGBPXGSSMIZCEG-UHFFFAOYSA-N 291.200 1.176 50 50 CDGA C[C@]1(O)[C@@H]2[C@H]3[C@@H]4[C@H]5[C@H]3[C@@H]1[C@@H]5[C@@H]2[C@@H]4I 254839620 CLTFPOYVGDADLT-UKCFRDGXSA-N 288.128 1.539 50 50 CDGA O=C(CCl)N1CCO[C@H](c2cccc(F)c2)C1 1319682727 QUBXKTADQLVBGS-NSHDSACASA-N 257.692 1.964 50 50 CDGA Cc1ccc(C)c(NC(=O)c2ccc(B(O)O)c(F)c2)c1 169744528 OVDQAZNLQPFJPT-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@H](Cl)C(=O)N1CC[C@H](NC(=O)CC(F)(F)F)C1 1875378270 YMMMMFZVYNVUTC-BQBZGAKWSA-N 286.681 1.283 50 50 CDGA C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1cccs1 229981 AVRWYNGTECOBBE-RIYZIHGNSA-N 278.337 1.568 50 50 CDGA Cc1ccc(OCC(=O)NN)c(Br)c1 449199 XYHKDKZCSZQLNF-UHFFFAOYSA-N 259.103 1.126 50 50 CDGA CC[C@H](Br)C(=O)Nc1ccc(C(N)=O)cc1 61487607 NBMWPHHNRLPZCX-VIFPVBQESA-N 285.141 1.898 50 50 CDGA O=C1OC[C@@]23CC[C@@H](C[C@H]12)[C@@H](O)[C@@H]3Br 257357937 QVFNREKEGANANW-PLAGJLMLSA-N 261.115 1.084 50 50 CDGA O=C(CCl)NCC1(c2ccc3c(c2)OCO3)CC1 1875364811 URYJXWZHWSXNJK-UHFFFAOYSA-N 267.712 1.802 50 50 CDGA CCc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1 102310547 LWQHWJIAJLGCLW-BPKVKKHESA-N 286.335 1.211 50 50 CDGA CN(CC(Cl)Cl)C(=O)Cn1cc([N+](=O)[O-])cn1 408516696 PIXXEOLCXAJHLS-UHFFFAOYSA-N 281.099 1.053 50 50 CDGA O=C(CCl)N[C@H]1CC[C@H](Oc2ccncc2)C1 1875376821 JMZCYCFOPNLYKP-ONGXEEELSA-N 254.717 1.737 50 50 CDGA Nc1nc(N2CCSSCC2)ncc1[N+](=O)[O-] 888093092 OHDFXWADABDWTF-UHFFFAOYSA-N 273.343 1.168 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccco1 38794 ONXZBQSHSGQIFU-LBPRGKRZSA-N 274.276 1.924 50 50 CDGA O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@H]1C1CCCCC1 170638997 GCPODFBXNKWMFY-STQMWFEESA-N 295.383 1.276 50 50 CDGA O=C(Nc1cccc(Cl)c1)c1ccc(B(O)O)cc1 1135507857 OMWYHDFOYQPGPC-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA O=C(CCl)N[C@H](CCO)c1ccc2c(c1)OCO2 1875379458 QQTXLWWTISLYPK-SECBINFHSA-N 271.700 1.194 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1ccncc1 61577 UGMKEUQMBKSHCP-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(N)=O 160194 MEIGOGSKIWSGEW-XVNBXDOJSA-N 251.629 1.640 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2F)c(C)c1 169744673 FXGKGOLSAYOBRC-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 1875378132 WEHMZZNTKUQUCR-GXSJLCMTSA-N 283.759 1.611 50 50 CDGA O=C(CCl)NC[C@@H]1CCc2cc(F)ccc2O1 1875369932 QYQFQRCXDGWSIP-JTQLQIEISA-N 257.692 1.874 50 50 CDGA O=C(NNC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 259816 KRVFXWRRFLGDRY-SNVBAGLBSA-N 268.700 1.280 50 50 CDGA O=C(CCl)N1C(=O)OC[C@H]1Cc1ccccc1 2562268 DVPUBLCBQBQPOU-SNVBAGLBSA-N 253.685 1.815 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 115146 XMFBOTNBCGFJPK-DWKHYPNZSA-N 299.286 1.779 50 50 CDGA COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 265690 SZGWTNHJBDUMKP-BMQCOBNYSA-N 286.331 1.897 50 50 CDGA Cc1c(C(=O)N(C)C)sc(NC(=O)CCl)c1C#N 13323464 DKINPNZIIWKALF-UHFFFAOYSA-N 285.756 1.807 50 50 CDGA COC(=O)[C@H](NC(=O)[C@@H](F)Cl)c1cscn1 2325898544 JMMPJWRSPKLXEV-PHDIDXHHSA-N 266.681 1.008 50 50 CDGA O=C(CCc1ccccc1)NNC(=O)[C@H]1CC12CCC2 342709 DHKOSCJBHPIUTI-CYBMUJFWSA-N 272.348 1.957 50 50 CDGA O=C1c2ccccc2C(=O)N1C[C@@H](O)CBr 1683386 IXDOWFRZXKJMQE-ZETCQYMHSA-N 284.109 1.038 50 50 CDGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4726084 VBZJCCSKBXQPGX-CYBMUJFWSA-N 282.303 1.945 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1snnc1C 5792622 FLEQBUUPQLXVJI-NTUHNPAUSA-N 276.321 1.619 50 50 CDGA CCCOc1cc(OC(F)(F)F)cc(B(O)O)c1 169934216 CGLDYQGCSJGHME-UHFFFAOYSA-N 264.008 1.054 50 50 CDGA in-vitro O=C(NNC(=O)c1ccc(O)cc1)Nc1ccccc1F 2166034 BKCJXSPKQJHUQD-UHFFFAOYSA-N 289.266 1.998 50 50 CDGA COC(=O)C1CCN(C(=O)C(Cl)Cl)CC1 456233 WJHNILLQYLCRPX-UHFFFAOYSA-N 254.113 1.202 50 50 CDGA O/N=C1/[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5Br)[C@H]42 252497869 FLIVZDHPXLXDIL-QNEXONMZSA-N 254.127 1.968 50 50 CDGA O=C/C(=C\Nn1cnnc1)c1nc2ccccc2o1 621243 GPLWXNJCHQJLKT-WEVVVXLNSA-N 255.237 1.203 50 50 CDGA O=[N+]([O-])c1ccccc1Oc1ccc(B(O)O)cc1 169808855 COFSQPXQXYCXFW-UHFFFAOYSA-N 259.026 1.067 50 50 CDGA O=C(CCl)NCc1cccc(N2CCC2=O)c1 1875391658 QBLZZLNQXZEGPV-UHFFFAOYSA-N 252.701 1.278 50 50 CDGA CN1CCN(Cc2ccc(CNC(=O)CCl)cc2)CC1 1320467041 ZFTDRHSPUXCTRS-UHFFFAOYSA-N 295.814 1.289 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccco1 242600 MCVMAHPOLOHGDJ-MDWZMJQESA-N 259.221 1.952 50 50 CDGA O=C(Cn1ccc2ccccc21)NNC(=O)C1CC1 14775984 HJVULNHUCJMIEJ-UHFFFAOYSA-N 257.293 1.199 50 50 CDGA C[S@](=O)C[C@@H](NC(=O)[C@H](F)Cl)C(C)(C)C 2325820681 DVKKILPPNWZVMZ-NVZATHNXSA-N 257.758 1.430 50 50 CDGA O=C(NNC(=O)c1cccs1)c1ccnc(C2CC2)n1 1875257835 ZGQNRXNNSZVYBV-UHFFFAOYSA-N 288.332 1.490 50 50 CDGA NNC(=O)COc1ccc(Br)cc1Cl 2568655 HDFWXVTXLGVPLV-UHFFFAOYSA-N 279.521 1.471 50 50 CDGA CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)Cl)C12CCOCC2 1875377801 NVRGIESPPIKNPF-HBNTYKKESA-N 275.776 1.704 50 50 CDGA Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@H](C)Cl 1875375741 GYSGLNLQTIEWMI-CBAPKCEASA-N 269.732 1.461 50 50 CDGA OB(O)c1ccc(OCc2cccc(Cl)c2)cc1 169922475 DFIQBPGCTYISHA-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CC(C)(C)OC(=O)N1CC(C(=O)CBr)C1 222019423 UZVUBCSVTGJSBL-UHFFFAOYSA-N 278.146 1.817 50 50 CDGA in-vitro O=C(CCl)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 1875367967 DQQCQEMTFRXOGX-MNOVXSKESA-N 273.760 1.759 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2ncn(C)c(=O)c2c1 1875377623 IZXLIRVVUNCZDP-ZETCQYMHSA-N 265.700 1.499 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O)[C@@H]1O 169744753 HYSBQWOHQIVUQQ-MXWKQRLJSA-N 260.406 1.643 50 50 CDGA CC(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O 1204594 JXNOEOCQAHJRRL-UHFFFAOYSA-N 270.716 1.853 50 50 CDGA O=C(CBr)Cn1cnc2ccccc2c1=O 20533766 RCGNXOANLVGTST-UHFFFAOYSA-N 281.109 1.361 50 50 CDGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 32011000 QCTXRCZHQGETGX-NVNXTCNLSA-N 270.248 1.754 50 50 CDGA CCCCOc1ccc(B(O)O)cc1C(F)(F)F 169955507 MQDDISIDUFQESI-UHFFFAOYSA-N 262.036 1.564 50 50 CDGA Cc1nc(N(C)C)sc1CCNC(=O)[C@@H](C)Cl 1875363437 AFISUERWOZXDDL-SSDOTTSWSA-N 275.805 1.804 50 50 CDGA CCOc1ccccc1/C=N/NC(=O)c1cc(C)n[nH]1 5686532 HSAWZEJKVMSORB-OQLLNIDSSA-N 272.308 1.881 50 50 CDGA Cc1ccc(C)c(CN(CCO)C(=O)CCl)c1 1875382298 XJWDOCDZQSYMIB-UHFFFAOYSA-N 255.745 1.863 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(F)ccc21 169743860 TZHYEXHDCFQZGG-UHFFFAOYSA-N 279.076 1.243 50 50 CDGA in-vitro Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCCCl 583651879 UNTNHNYRIHFOAU-MRVPVSSYSA-N 294.804 1.771 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1cccs1 246693 UUMUCNFOCAPZFK-BJMVGYQFSA-N 252.324 1.672 50 50 CDGA NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)CCl 1253968374 OXZUZGNHSJPRLI-UHFFFAOYSA-N 295.770 1.953 50 50 CDGA Cc1n[nH]c2c1[C@H](c1cccs1)C(C#N)=C(N)O2 4114702 VIRJJLWLDNHMPB-JTQLQIEISA-N 258.306 1.998 50 50 CDGA C/C(=N\NC(=O)c1ccncc1)c1ccc(O)cc1 4616959 XLBBHANNLVSDIO-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA CSc1nc2n(n1)C(N)=C(C#N)[C@@H](c1ccccc1)N2 6757815 OHGUMVRUHHWZBZ-SNVBAGLBSA-N 284.348 1.818 50 50 CDGA O=[P@@]1(N(CCCl)CCCl)N[C@H](OO)CCO1 43226441 VPAWVRUHMJVRHU-QZTNRIJFSA-N 293.087 1.700 50 50 CDGA in-man O=C(CS(=O)(=O)NC/C=C/CCl)c1ccccc1 725375037 CFNJYCDHTGPSOX-SNAWJCMRSA-N 287.768 1.584 50 50 CDGA Cc1cccc(C)c1NC(=O)c1cc(F)cc(B(O)O)c1 169744291 OLDZXRPMUUYXQI-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA COC(=O)C[C@@H]1c2ccccc2CCN1C(=O)CCl 1875369199 ZSLSRZJENPQQHJ-GFCCVEGCSA-N 281.739 1.914 50 50 CDGA CC(C)[C@@H](Br)C(=O)N1CCOCC1 2044183 WRMJBKOESLCMKX-MRVPVSSYSA-N 250.136 1.265 50 50 CDGA Cc1cccc(OCC(=O)N/N=C/c2cccnc2)c1 431910 LGCABJIVCXBERH-LICLKQGHSA-N 269.304 1.919 50 50 CDGA O=C(N/N=C/c1ccccc1C(=O)O)c1ccccc1O 442987 LKWPYHCNFYQEAH-CXUHLZMHSA-N 284.271 1.854 50 50 CDGA O=C1C[C@@H](c2ccccc2)N(C(=O)CCl)CCN1 1319786111 ZFYUDAFHOSSWNL-NSHDSACASA-N 266.728 1.315 50 50 CDGA CCOc1cc(/C=N/NC(N)=O)c2c(c1)C[C@@H](C)O2 139747454 DCCOAEXPKUPCER-BQNBSLLUSA-N 263.297 1.411 50 50 CDGA C[C@@]12C[C@@H](OC1=O)[C@H](Br)C[C@@H]2C(=O)O 39419438 IXVHQBAAHQDSCF-JEMLMZEFSA-N 263.087 1.176 50 50 CDGA NCCOCCOCCOCCCCCCCl 653900948 RWQXYKFBNPVKHW-UHFFFAOYSA-N 267.797 1.794 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1 123989 QCTXRCZHQGETGX-OVCLIPMQSA-N 270.248 1.754 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)c1n[nH]c2c1CCCC2 186442 YINUSXMYVSVDGF-CXUHLZMHSA-N 284.319 1.758 50 50 CDGA CC1(C)Oc2ccsc2[C@@H](NC(=O)CCl)[C@@H]1O 1875375186 UGKIJIAOFIFLDW-SCZZXKLOSA-N 275.757 1.676 50 50 CDGA NNC(=O)CSCC(=O)Nc1cccc(Cl)c1 2506194 AGLUHHXUVWXOIO-UHFFFAOYSA-N 273.745 1.002 50 50 CDGA O=C(N/N=C/c1ccccc1Cl)c1cnccn1 228545 LNDUTWUPFXCQDD-FRKPEAEDSA-N 260.684 1.894 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(O)cc1 228832 MITVOPSSBOCFEA-GIJQJNRQSA-N 294.314 1.892 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1ccc(O)cc1O 253254 XCYIEEXSDJQDNG-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA biogenic C[C@H](Cl)C(=O)NCC(=O)Nc1ccc2c[nH]nc2c1 1875363937 DQTJEUFYZNVHLV-ZETCQYMHSA-N 280.715 1.245 50 50 CDGA C[C@@H]1[C@H](Cl)[C@@H]1CN1CC(=O)N[C@H]2CCCC[C@@H]21 891850203 OQXJJHCEQGVFMA-FBUUZDRASA-N 256.777 1.603 50 50 CDGA CN(c1ccccc1)S(=O)(=O)CBr 43199317 PZKGKRQGLXUSOG-UHFFFAOYSA-N 264.144 1.805 50 50 CDGA COc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1 4793365 YREKETNBAKLUHN-UHFFFAOYSA-N 289.085 1.937 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1 1808 YCWSUKQGVSGXJO-NTUHNPAUSA-N 275.220 1.657 50 50 CDGA world O=C(CSc1ncccn1)N/N=C/c1ccc(F)cc1 233693 WYJGMMDVQHASKS-CAOOACKPSA-N 290.323 1.858 50 50 CDGA Cc1ccc(NC(=O)c2cc(B(O)O)ccc2F)c(C)c1 169744247 NAGZPMGVPYUELX-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@@H](Cl)C(=O)NCCS(=O)(=O)c1cccs1 1875376104 MNFARYZOOLQXCY-SSDOTTSWSA-N 281.786 1.265 50 50 CDGA Cn1ccc(-c2nc(CNC(=O)CCl)cs2)n1 1875367700 FWSNPLHCDHONNO-UHFFFAOYSA-N 270.745 1.399 50 50 CDGA C#CCCNC(=O)c1ccc(F)cc1NC(=O)CCl 1875389416 NOYLBGWWDKYVDJ-UHFFFAOYSA-N 282.702 1.756 50 50 CDGA CCOC(=O)NNC(=O)c1csc(N2CCCCC2)n1 895511704 AXSAGSVQBGNTST-UHFFFAOYSA-N 298.368 1.524 50 50 CDGA COc1ccc(C(=O)NNC(=O)C(C)(C)C)c(OC)c1 441096 JKIFOKHZTIUWKA-UHFFFAOYSA-N 280.324 1.511 50 50 CDGA CCOC(=O)C(=N\O)/C(C)=N/NC(=O)c1ccccc1 4976306 BAXDZKFRYHFQSX-JTEUSPMESA-N 277.280 1.186 50 50 CDGA Cc1cc(-c2ccccc2)nc2c(C(=O)NN)cnn12 374002 PFIYTHCWYAOQOZ-UHFFFAOYSA-N 267.292 1.308 50 50 CDGA COC(=O)c1ccsc1NC(=O)CBr 1394197 AWBRULIUSXEIOR-UHFFFAOYSA-N 278.127 1.868 50 50 CDGA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@H](C)Cl 1875377358 CVJXAQCJAFBQPD-VHSXEESVSA-N 260.765 1.377 50 50 CDGA O=S(=O)(CBr)NCc1ccccc1 43199309 WTDLSSFNNNTAFR-UHFFFAOYSA-N 264.144 1.458 50 50 CDGA CCOc1ccc(NC(=S)NNC(=O)C[C@H](C)O)cc1 13497535 BQALPBYRWFHEOS-VIFPVBQESA-N 297.380 1.174 50 50 CDGA CCOC(=O)N1CCC(=O)[C@H](Br)C1 12649809 DVJZXYGZKFZHQX-ZCFIWIBFSA-N 250.092 1.181 50 50 CDGA in-vitro O=C(CCl)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 1875378106 VTBWBTSFLIMNBW-YPMHNXCESA-N 271.719 1.647 50 50 CDGA O=C(CCl)NCCNC(=O)c1cc2ccccc2[nH]1 1875374157 CPAPPPHIHGTGHW-UHFFFAOYSA-N 279.727 1.253 50 50 CDGA O=C(CCl)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 59013 MDZKSIJGAAFPGQ-NXEZZACHSA-N 252.701 1.176 50 50 CDGA CNC(=O)Oc1ccccc1O[C@H](CCl)OC 2005379 PITWUHDDNUVBPT-SNVBAGLBSA-N 259.689 1.995 50 50 CDGA in-vitro NC(=O)c1c(NC(=O)CCl)sc2c1CCCC2 78181 XRKRPMKJSPGFRD-UHFFFAOYSA-N 272.757 1.903 50 50 CDGA in-vitro CO[Si](CCCNCCCCCCN)(OC)OC 169945489 AMVXVPUHCLLJRE-UHFFFAOYSA-N 278.469 1.363 50 50 CDGA C[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 115391 HISMJRIIQSDFJO-SSDOTTSWSA-N 254.245 1.983 50 50 CDGA CCOC(=O)N1CCC([C@H](C)NC(=O)CCl)CC1 1875374601 AAWTZOLDHRVIMZ-VIFPVBQESA-N 276.764 1.598 50 50 CDGA Cc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1 66438 HYFQMHBEUZSLEH-VGOFMYFVSA-N 275.337 1.122 50 50 CDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccnc1 43690 MGYBJMLMSYLMAK-GFCCVEGCSA-N 271.276 1.336 50 50 CDGA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3OC[C@]4(C)C[C@@H]1[C@]32OO4 100078961 DJGUTYJDEZGRGH-VDMSBVICSA-N 284.352 1.839 50 50 CDGA in-vitro CC(C)Sc1ncc(C(F)(F)F)cc1B(O)O 169933816 ZOSAPDINOGIVGV-UHFFFAOYSA-N 265.065 1.281 50 50 CDGA in-vitro CCOC(=O)c1c2c(nn1C)CCN(C(=O)[C@@H](C)Cl)C2 170278091 CDWSWRZTUJRENZ-MRVPVSSYSA-N 299.758 1.109 50 50 CDGA CN(NC(=O)[C@@H]1CSCCS1)c1ccncc1 1615585908 HZLORGVUIOVGSC-JTQLQIEISA-N 269.395 1.398 50 50 CDGA O=C(Nc1cccc(Cl)c1)c1cccc(B(O)O)c1F 169744703 VLBPALNENANPHT-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA OB(O)c1ccc(OCc2ccccc2)c(F)c1F 169747865 SWMFGSPOFIKKMJ-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA COc1ccc([C@@H]2OCC[C@H]2NC(=O)[C@H](C)Cl)cn1 1875380277 KLEYPCVBFYCUGQ-XRNSZHNASA-N 284.743 1.664 50 50 CDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 50143 CXAUWNQUZMMPGF-INIZCTEOSA-N 295.298 1.464 50 50 CDGA CNC(=S)NNC(=O)Nc1cc(Cl)ccc1OC 2166098 SJSCFOWNRQCMRZ-UHFFFAOYSA-N 288.760 1.479 50 50 CDGA CN(c1ccn(C)n1)S(=O)(=O)c1cccc(CCl)c1 241644718 PSXCTVZCKNEXNF-UHFFFAOYSA-N 299.783 1.984 50 50 CDGA Cc1ccc(S(=O)(=O)[N@]2C[C@@]2(C)CCl)cc1 1857524773 WEBFWKRVIFRTOY-DGCLKSJQSA-N 259.758 1.997 50 50 CDGA O=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCCCC1 2892446 YMUIMGFMFLOLCG-MHWRWJLKSA-N 277.299 1.288 50 50 CDGA C[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O2)[C@@H]1O 257356741 JYRSAHCTGWKYOA-YGEZULPYSA-N 288.460 1.907 50 50 CDGA Brc1nnc2n1CCOC[C@H]2Br 536952028 BVDSQRIVRFWTPX-SCSAIBSYSA-N 296.950 1.507 50 50 CDGA CN(CCOCc1ccc(C#N)cc1)C(=O)CCl 1875378202 XEPYKPBJYRIQHT-UHFFFAOYSA-N 266.728 1.772 50 50 CDGA CCCCCC(=O)NN/C(C)=C1\C(=O)C=C(C)OC1=O 142327078 GGVDXDRKMVPRPY-JLHYYAGUSA-N 280.324 1.491 50 50 CDGA OB(O)c1cccc(COc2cccc(C(F)(F)F)c2)c1 169877260 TVFNNGHGIHZSDV-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA in-vitro O=C(NNc1cccnn1)c1ccc2cc[nH]c2n1 782853416 JWLRHAYOASEQCV-UHFFFAOYSA-N 254.253 1.110 50 50 CDGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccnc1 4229127 HDRDPFOOZAYMQV-VCHYOVAHSA-N 292.298 1.687 50 50 CDGA CCOc1ccccc1C(=O)Nc1ccc(C(=O)NN)cc1 1776111106 WIBDNGPTAHRJTR-UHFFFAOYSA-N 299.330 1.941 50 50 CDGA C[C@@H](Cl)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 1875366384 GDHLESDAGKHZBZ-MWLCHTKSSA-N 298.774 1.070 50 50 CDGA CC(C)C[C@H]1C(=O)NCCCN1C(=O)[C@H](C)Cl 1875377357 CVJXAQCJAFBQPD-UWVGGRQHSA-N 260.765 1.377 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccc(F)cc1 4990586 SFYVVYCDVKFBHP-OQLLNIDSSA-N 281.356 1.325 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1cccn1C)C(C#N)=C(N)O2 34325 VBGZVYQTKOPVIK-LLVKDONJSA-N 255.281 1.275 50 50 CDGA Cc1n[nH]c2c1[C@H](c1ccccc1O)C(C#N)=C(N)O2 4237596 SCIUEAMHFVWTIU-GFCCVEGCSA-N 268.276 1.642 50 50 CDGA C[C@@]1(C(=O)Nc2ccc(N)nc2)C[C@H]1Br 1616037883 CMWYDICIAGMYDD-GMSGAONNSA-N 270.130 1.776 50 50 CDGA Cn1cccc1/C=N/NC(=O)Cn1cnc2ccccc21 73129 IOOSUFLGGUEDHP-RQZCQDPDSA-N 281.319 1.525 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1ccc(F)c(B(O)O)c1 169904589 TYKUASQVDUTDEJ-UHFFFAOYSA-N 270.185 1.890 50 50 CDGA COCc1nc([C@H]2CCCCN2C(=O)[C@@H](C)Cl)n[nH]1 1875366174 XOABGMKDGYIYCM-RKDXNWHRSA-N 286.763 1.632 50 50 CDGA CCc1[nH]nc2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 4014279 DGABAVZGIZRFBI-LLVKDONJSA-N 267.292 1.585 50 50 CDGA CCCc1[nH]nc2c1[C@@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 6529069 ZNSGXBZFMUKTOO-XLKFXECMSA-N 274.324 1.495 50 50 CDGA CC(C)(C)OC(=O)N1CC[C@H](Br)C1=O 242548015 KYXFVRONPLZWTK-LURJTMIESA-N 264.119 1.917 50 50 CDGA CCOc1ccnc(N2CCCN(C(=O)CCl)CC2)n1 1323269601 NUNVBGMKZGMXTR-UHFFFAOYSA-N 298.774 1.153 50 50 CDGA C[C@H](Cl)C(=O)N1CC(=O)N(C)[C@H]1c1ccccc1 1875377529 GKAPQGMSTYXGJJ-JOYOIKCWSA-N 266.728 1.613 50 50 CDGA Nc1ncnc2sc3c(c12)CCN(C(=O)CCl)C3 1875377243 BBDKRHYIYPSMEP-UHFFFAOYSA-N 282.756 1.397 50 50 CDGA CN(C(=O)CCl)[C@H]1CCCN(c2ccccc2)C1=O 1320465413 JDAGLRZOONLHGB-LBPRGKRZSA-N 280.755 1.879 50 50 CDGA COc1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1 273383 BEDYAHSHDZRATA-LLVKDONJSA-N 274.320 1.813 50 50 CDGA O=C(N/N=C/c1ccncc1)c1cc([N+](=O)[O-])ccc1O 4989712 KTANMVWQSVMAIH-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA O=C1CC[C@@H](NC(=O)Sc2ccccc2)C(=O)O1 101362956 LHSLJUXFXPFIGW-SECBINFHSA-N 265.290 1.721 50 50 CDGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 372262 PLYDPSBFHBWKOI-CQSZACIVSA-N 298.346 1.852 50 50 CDGA Cc1cc(C(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])[nH]n1 32540527 NVEATUITXPEIOV-AWNIVKPZSA-N 289.251 1.096 50 50 CDGA O=C(NN=Cc1coc2ccccc2c1=O)c1cccnc1 254738594 DAVIKTBRCQWOGT-UHFFFAOYSA-N 293.282 1.952 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)c(C)c1 169744615 DKVWUTZCWQIILE-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@H](Cl)C(=O)NCCc1nc(-c2ccccc2)nn1C 1875377740 MKLAMMFLBANEOG-JTQLQIEISA-N 292.770 1.768 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)c1ccc(O)cc1O 43190491 XGIRJEUPMDWKLW-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA Cc1nonc1C(=O)N/N=C/c1ccc(N(C)C)cc1 196488 XYWGZJZNOCNMLU-RIYZIHGNSA-N 273.296 1.208 50 50 CDGA Nc1nonc1NC(=O)N/N=C\c1c[nH]c2ccccc12 22018973 OXGIKEKLLAMRJU-UUASQNMZSA-N 285.267 1.289 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1875380522 RLQWDFPRCLUOSO-KCJUWKMLSA-N 287.768 1.400 50 50 CDGA Cn1cnnc1-c1cncc(NC(=O)[C@@H](F)Cl)c1 2325898624 OITVGHIYBWQUFQ-MRVPVSSYSA-N 269.667 1.350 50 50 CDGA N#CCC(=O)NNC(=O)COc1cccc2ccccc12 2820688 UABFUIHNHLFPBE-UHFFFAOYSA-N 283.287 1.280 50 50 CDGA CCCc1[nH]nc2c1[C@@]1(CCO[C@H]1C)C(C#N)=C(N)O2 6529071 ZNSGXBZFMUKTOO-RMLUDKJBSA-N 274.324 1.495 50 50 CDGA OB(O)c1c(F)ccc(OCc2ccccc2Cl)c1F 169903666 VJXYERSPXBFRTA-UHFFFAOYSA-N 298.481 1.877 50 50 CDGA in-vitro C[C@@H](Cl)C(=O)N1CCOC2(CCOCC2)CC1 1875377625 JACRIJAXIUOCQA-SNVBAGLBSA-N 261.749 1.412 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)Cc1ccccc1 299652 ZSFYEUYTDSCHFG-UHFFFAOYSA-N 268.316 1.999 50 50 CDGA CCNC(=O)N/N=c1/sc2ccccc2n1C 3878967 BPGKCTZZDGOYRW-SDNWHVSQSA-N 250.327 1.375 50 50 CDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/C(C)=C/c1ccccc1 100508054 WSLXQYSLUCBUPJ-WGEFNLLVSA-N 298.346 1.704 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1cccc(Cl)c1 4832330 DESOZWQWANJSHU-OQLLNIDSSA-N 297.811 1.839 50 50 CDGA COC(=O)[C@@H](Br)CCBr 3192970 DQHIGEQXJBMKKY-BYPYZUCNSA-N 259.925 1.708 50 50 CDGA in-vitro CC(C)(C)c1cnc(C(=O)NNC(=O)c2ccccn2)o1 2325804278 AUDBPQYOZVBUFB-UHFFFAOYSA-N 288.307 1.442 50 50 CDGA C[C@@H](Cl)C(=O)NCC1=CS(=O)(=O)c2ccccc21 1875375416 BOQFRDNOYTXFDK-MRVPVSSYSA-N 285.752 1.558 50 50 CDGA CC(C)(C)OC(=O)NNC(=S)NCc1ccco1 2854983 VTSCZJZDQOREES-UHFFFAOYSA-N 271.342 1.683 50 50 CDGA COc1ccccc1/C=N\NC(=O)c1ccc(CO)nc1 4964401 VTQJJHNLOCSXAL-MFOYZWKCSA-N 285.303 1.346 50 50 CDGA O=C(CBr)c1ccc2c(c1)COC2=O 306550409 COTUUCUHJPVLCV-UHFFFAOYSA-N 255.067 1.935 50 50 CDGA Cc1ccc(OCc2ccccc2Cl)c(B(O)O)c1 197900982 YWQNHKCWUMKTSL-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA Cc1cc(C(=O)NNc2ncnc3ccccc23)n[nH]1 585139085 ZPAZERRWUXAYED-UHFFFAOYSA-N 268.280 1.418 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 18142256 OZVXMIBNQFMBMG-RIYZIHGNSA-N 258.281 1.491 50 50 CDGA CC(C)Oc1cc(B(O)O)ccc1OC(F)(F)F 169964697 GMSQFZIIBMNSRQ-UHFFFAOYSA-N 264.008 1.052 50 50 CDGA CC(C)COc1cc(OC(F)(F)F)cc(B(O)O)c1F 169964770 SULWZHRCZPFYDB-UHFFFAOYSA-N 296.025 1.439 50 50 CDGA O=C(CCl)NNC(=O)C1(c2ccc(Cl)cc2)CC1 952880497 VKNXSVSOQYIWAB-UHFFFAOYSA-N 287.146 1.758 50 50 CDGA O=C(CCl)N1CCN(c2ccccc2F)CC1 3888923 CIEYKEFONUZKEK-UHFFFAOYSA-N 256.708 1.713 50 50 CDGA NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 4136231 YJXUZKNPSALYEJ-UHFFFAOYSA-N 278.315 1.932 50 50 CDGA O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 101787743 HMQMKEJKFYVJIV-WCFLWFBJSA-N 258.321 1.884 50 50 CDGA Nc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 45693 YMEHJGVLABLNNL-CXUHLZMHSA-N 284.275 1.941 50 50 CDGA COc1ccc(O[Si](C)(C)C(C)(C)C)cc1B(O)O 169904598 NCHIYWZIGSNWFK-UHFFFAOYSA-N 282.221 1.759 50 50 CDGA C[C@H](Cl)C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 1875366567 YBGSNKBLZGDPND-CMPLNLGQSA-N 274.792 1.183 50 50 CDGA Cc1nc([C@@H](NC(=O)CCl)c2ccccc2)no1 1875367981 FWASQPFYJVBMFW-NSHDSACASA-N 265.700 1.822 50 50 CDGA CO[C@@H]1C[C@@H]2CN(C(=O)CCl)Cc3cccnc3N2C1 1875374801 FKHUXMYLDCSJAY-VXGBXAGGSA-N 295.770 1.256 50 50 CDGA COCc1n[nH]c2c1[C@H](c1cccs1)C(C#N)=C(N)O2 4453470 RQDLAKZEOIXFHO-JTQLQIEISA-N 288.332 1.836 50 50 CDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1 4327267 AIKKKDPINSFQCM-LICLKQGHSA-N 297.314 1.789 50 50 CDGA CC(C)(C)[Si](C)(C)OCc1cc(B(O)O)cs1 217045206 JANLOTPOEMISMG-UHFFFAOYSA-N 272.251 1.950 50 50 CDGA Cn1ncn(CCO[Si](C)(C)C(C)(C)C)c1=O 408518387 FDCBMQFEJZNXCS-UHFFFAOYSA-N 257.410 1.604 50 50 CDGA O=C(CCl)NC[C@@]1(CO)CCc2ccccc21 1875367894 WNAHETRTULQBAR-CYBMUJFWSA-N 253.729 1.218 50 50 CDGA Cc1c(N(C)C(=O)CCl)c(=O)n(-c2ccccc2)n1C 1443525 INONQMSJDQYKMV-UHFFFAOYSA-N 293.754 1.686 50 50 CDGA C=C(C)CNC(=S)NNC(=O)c1cccc(C)c1 2902470 HAJHYOKBZIIJSA-UHFFFAOYSA-N 263.366 1.680 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1CC12CCC2 22204614 HRJBSVJVBMYFRS-UXYFDLPDSA-N 260.293 1.738 50 50 CDGA CN(C)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 139380 VHJKEPPRAZSECY-DKGMDFAASA-N 299.374 1.955 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 2166249 ZSFBWBXPWTVDHL-KNGSKEOJSA-N 299.286 1.779 50 50 CDGA COC(=O)[C@@H](O)P(=O)(c1ccccc1)c1ccccc1 335223 AOGJPYRFILRTHL-HNNXBMFYSA-N 290.255 1.492 50 50 CDGA COc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 437731 ALVUNPXWGQINIP-VUVCFOEZSA-N 284.315 1.879 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1875375579 FCSZTHICRCBCDE-KOLCDFICSA-N 279.789 1.041 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1CCc2sccc2C1=O 1875378163 WPOQYNDFTMFQPL-XPUUQOCRSA-N 257.742 1.989 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1O 18284443 NWOWITLDFPZNGZ-VGOFMYFVSA-N 274.280 1.196 50 50 CDGA CCOc1ccc(/C=N/NC(=O)CC(=O)O)cc1 1233228 FLFKJVHUXYCPDJ-MDWZMJQESA-N 250.254 1.010 50 50 CDGA Cc1cccc(NC(=O)c2ccc(B(O)O)c(F)c2)c1C 169744612 FIYRLZJTTVPLBH-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA CN(C)C(=O)[C@@H](CNC(=O)CCl)c1ccccc1 1875379498 RKBOZEAWUJPUKF-NSHDSACASA-N 268.744 1.213 50 50 CDGA CCN(C(=O)CCl)[C@@H]1CCN(CC(F)(F)F)C1 1875367869 VHBHGVRTLANIAS-MRVPVSSYSA-N 272.698 1.710 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cc(Br)no1 718876261 CEQUIINVOMXUGT-SCSAIBSYSA-N 267.510 1.681 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccnn2C)cc1 301051 FCBZUSBGNVHICM-NTEUORMPSA-N 258.281 1.193 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1Cc1ccccc1 19641175 WBACZLOBGNBHKD-UHFFFAOYSA-N 268.345 1.980 50 50 CDGA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@H](C)Cl)n2)c1 1875376279 RBIHUWJRRJYQQQ-DTWKUNHWSA-N 293.758 1.980 50 50 CDGA CC1(CNS(=O)(=O)CBr)C=CCC=C1 43198596 GQDGXHOSMPKQAD-UHFFFAOYSA-N 280.187 1.781 50 50 CDGA COc1ccc(CNC(=O)CBr)c(OC)c1 82511226 BAKIPTNMLRVAOF-UHFFFAOYSA-N 288.141 1.715 50 50 CDGA COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 257359 LSZGMPAKWTZHKG-VUVCFOEZSA-N 284.315 1.879 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccsc1 12360697 WPNNGKZXVONXQN-QMMMGPOBSA-N 272.289 1.050 50 50 CDGA O=C(Nc1ccccc1Cl)c1ccc(B(O)O)cc1F 169744196 JSLLVXPNLMRSKP-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA COC(=O)[C@@H]1CCC(C=O)=CN1C(=O)OC(C)(C)C 950757574 WKOFRWBSSNQTAW-JTQLQIEISA-N 269.297 1.642 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccncc1 48732 BYRGSGBTBKENHA-ZDUSSCGKSA-N 285.303 1.726 50 50 CDGA CC(C)(C)OC(=O)N1CCC(=O)[C@H](Br)C1=O 100168864 ZWMOSQYRIUMWSQ-ZETCQYMHSA-N 292.129 1.486 50 50 CDGA O=C(CCl)NCC[C@H]1CN(Cc2ccccc2)CCO1 311660798 GFPSIJMAXOVCID-AWEZNQCLSA-N 296.798 1.633 50 50 CDGA CC(C)(C)OC(=O)N/N=C(\N)COc1ccccc1 43769281 NZZIRKJHGWHHKQ-UHFFFAOYSA-N 265.313 1.862 50 50 CDGA CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 252430931 UNAVIWIODDXNOP-NUJDXYNKSA-N 289.125 1.121 50 50 CDGA O=C(NNC(=O)C1CCCC1)c1cnc(C2CC2)o1 878207001 KTUSGPAUXVHPNF-UHFFFAOYSA-N 263.297 1.503 50 50 CDGA Cc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 8845764 JBJAWVQREDWYEK-LBPRGKRZSA-N 297.274 1.845 50 50 CDGA COc1ccc(S(=O)(=O)N2CCC=C(C=O)C2)cc1 45072261 IBVGBVLYVXVGMY-UHFFFAOYSA-N 281.333 1.215 50 50 CDGA CC(C)(C)OC(=O)N1CC(=O)[C@H](Br)C1 40448369 JLGDEUGSXALHGU-ZCFIWIBFSA-N 264.119 1.570 50 50 CDGA NNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 87489337 ULGPUXTZOOUIMA-LBPRGKRZSA-N 277.324 1.025 50 50 CDGA in-vitro CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)CCl 1352071980 HFTZYCUFKHUUSP-NSHDSACASA-N 282.727 1.709 50 50 CDGA C=CCNC(=S)NNC(=O)c1ccccc1OCC 13496955 GAHBXLANEIBKCR-UHFFFAOYSA-N 279.365 1.380 50 50 CDGA N#C[C@@H]1N(C(=O)CCl)CCC[C@@]12CCCCO2 1875303430 WWYUJFPCHQWCAQ-JQWIXIFHSA-N 256.733 1.679 50 50 CDGA O=C(CCl)Nc1cccc(N2CCSCC2)n1 1875368561 AJEQXRMTZFEVPJ-UHFFFAOYSA-N 271.773 1.812 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccc2cnn(C)c2c1 1875377902 QTRUZWSCGDPOMM-MRVPVSSYSA-N 251.717 1.817 50 50 CDGA C[C@H]1CN(C(=O)c2ccoc2)CCN1C(=O)[C@H](F)Cl 2325901377 BRBCQVXBSHPYSQ-WPRPVWTQSA-N 288.706 1.487 50 50 CDGA O=C(NNc1ncccc1Cl)c1ccc2nc[nH]c2n1 758162236 BDUJJDBJQCDIIC-UHFFFAOYSA-N 288.698 1.763 50 50 CDGA CCC(=O)NNC(=O)COc1cccc(C)c1C 14648792 ZQYNRRHUXIDOTC-UHFFFAOYSA-N 250.298 1.240 50 50 CDGA CC(=O)c1ccc(NC(=S)NNC(=O)CC#N)cc1 2855686 FEGWMSDCJKAUPQ-UHFFFAOYSA-N 276.321 1.120 50 50 CDGA O=C(NC1(CO)CCSCC1)C1CC(Cl)C1 585122137 OMCSWYAXJMBFJN-UHFFFAOYSA-N 263.790 1.378 50 50 CDGA OB(O)c1ccccc1COc1cccc2c1CCCC2 169877287 KTXSKKVFEAGKEZ-UHFFFAOYSA-N 282.148 1.824 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)[C@@H]1COc2ccccc2O1 177423 JKRDHPRXIMMUFU-ZUZCKIMGSA-N 298.298 1.682 50 50 CDGA CCOCCC(=O)NNC(=O)Nc1ccccc1 14663223 MHPMAIZWTOCLSO-UHFFFAOYSA-N 251.286 1.266 50 50 CDGA O=C(NNC(=S)Nc1ccccc1)c1ccco1 161553 GWUUETPFVSILLU-UHFFFAOYSA-N 261.306 1.911 50 50 CDGA CN(C)[C@H](CCC(=O)NNC(=O)C1CC1)c1ccccc1 408522521 ARCXIMDUNKNIBW-CQSZACIVSA-N 289.379 1.627 50 50 CDGA CO[C@@H]1COc2ccccc2[C@@H]1NC(=O)[C@H](C)Cl 1875380719 XMGVRDMDTKJSFR-AXTRIDKLSA-N 269.728 1.879 50 50 CDGA O=C(Nc1cccnc1)C1CCN(C(=O)CCl)CC1 2325890220 KTPMFYSNEOJKFC-UHFFFAOYSA-N 281.743 1.498 50 50 CDGA COc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O 234526 UNJFTVHPYNTOMB-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA biogenic O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H](c4cccc([N+](=O)[O-])c43)[C@@H]12 104257980 GJFSSZJTVUJQDH-LDDIKCJXSA-N 271.228 1.661 50 50 CDGA Cc1nc(OCc2ccccc2)c(B(O)O)cc1Cl 675050470 JXZOTWYHSJVMQD-UHFFFAOYSA-N 277.516 1.302 50 50 CDGA CCCc1n[nH]c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 5023794 VESHKJRJEWDPLQ-LBPRGKRZSA-N 281.319 1.975 50 50 CDGA O=C(O)c1cc(-c2ccc(B(O)O)cc2)nc2ccccc12 169809992 QSHXLXJUIBYXKH-UHFFFAOYSA-N 293.087 1.280 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1875376466 XVEZMHABIPMCND-ZYHUDNBSSA-N 289.803 1.688 50 50 CDGA Cc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2 31203 QEKHDXCAENVULX-UHFFFAOYSA-N 262.338 1.569 50 50 CDGA Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCO2)c(C)c1 195355 MMLAIVNEYNIVFO-CYBMUJFWSA-N 292.335 1.009 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccco2)c(OC)c1 260785 AWBCBELCHIRELH-UHFFFAOYSA-N 290.275 1.372 50 50 CDGA O=C(CCSS(=O)(=O)O)N1CCc2ccccc21 1951060 BEQDRHZOEWFWKM-UHFFFAOYSA-N 287.362 1.502 50 50 CDGA O=C(NNC(=S)NC(=O)C1CCCC1)c1ccccc1 1615630267 MCIXFHKSIMLJPQ-UHFFFAOYSA-N 291.376 1.512 50 50 CDGA OB(O)c1ccc(C(F)(F)F)cc1OCc1ccccc1 169964793 NMBJNPIUYMLHPK-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1875376205 OTSLFZPJCGGWSD-SSDOTTSWSA-N 252.701 1.771 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 286983 PTHJYNJWIGGMGS-UHFFFAOYSA-N 271.276 1.165 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cccc2c1N(C)C(=O)CO2 1875366946 BPVRLBXHBBEHLP-SSDOTTSWSA-N 268.700 1.608 50 50 CDGA CN(C(=O)c1ccc(B(O)O)c(Cl)c1)c1ccccc1 169744549 QWABIVICSRBYJT-UHFFFAOYSA-N 289.527 1.296 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 1875363740 WKIGFVQMKUJNOX-ZJUUUORDSA-N 270.764 1.132 50 50 CDGA C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)CCl 1875367746 JMRQFUNLFQIEDL-LBPRGKRZSA-N 259.708 1.474 50 50 CDGA O=C(CSc1ncccn1)N/N=C/c1ccncc1 233650 QXKXFKQCBGRLKV-LZYBPNLTSA-N 273.321 1.114 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(F)cc1 100557102 BDHLMZGPGPDRFZ-GGNJANJASA-N 290.298 1.178 50 50 CDGA O=C(CCl)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1331263414 VRDKMBSACQRARU-AOOOYVTPSA-N 282.731 1.022 50 50 CDGA CCCCOc1c(Br)cc(C)cc1B(O)O 169877059 AQZXOJQXDSSZCI-UHFFFAOYSA-N 286.962 1.616 50 50 CDGA in-vitro NC(=O)C1CCN(c2ccc(NC(=O)CCl)cc2)CC1 1319786060 WHACJXMPEFTVAI-UHFFFAOYSA-N 295.770 1.566 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccncc1 61326 HLPMEKJZGSAPBE-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCC2 18148701 ZFCDLCSYMWDRQI-OVCLIPMQSA-N 299.290 1.571 50 50 CDGA O=C(NNC(=O)c1cccnc1)c1ccc(Cl)cc1 54823 KORPVIOLXRTAED-UHFFFAOYSA-N 275.695 1.810 50 50 CDGA O=C1OC(=O)[C@]23CC[C@]12CN(Cc1ccccc1)C3 1535542759 YEGJEWMERVCFIW-GASCZTMLSA-N 257.289 1.352 50 50 CDGA CC(C)(C)O/C(O)=N/S(=O)(=O)CBr 43198616 CXYMAWTUCVJMOR-UHFFFAOYSA-N 274.136 1.398 50 50 CDGA O=C(CNC1CCCC1)N1CCC[C@@H]1Br 261494222 SDCSQHASNBRBKB-SNVBAGLBSA-N 275.190 1.862 50 50 CDGA Cc1n[nH]c2c1[C@]1(C[C@@H](C)N(C)C[C@H]1C)C(C#N)=C(N)O2 5092526 XOMRCAYPPKIJTK-XWRVAKJBSA-N 287.367 1.402 50 50 CDGA Cc1nn([C@@H](C)CC(=O)NN)c(C)c1Br 16625288 CXARVAOWVXGVMM-YFKPBYRVSA-N 275.150 1.203 50 50 CDGA OB(O)c1c(Br)cccc1OC(F)(F)F 169978196 XXGWXPRGFVBJKZ-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA CN(C(=O)CCl)[C@@H]1CCN(c2ccccc2F)C1=O 1253968659 RPMMZBLQOBKRNG-LLVKDONJSA-N 284.718 1.628 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 1875377832 OWTQIPIPOORJJW-GHMZBOCLSA-N 298.770 1.740 50 50 CDGA CNC(=O)c1ccc(-c2noc(CCl)n2)cc1 34924949 UHYKXGIATBITKD-UHFFFAOYSA-N 251.673 1.835 50 50 CDGA Cc1[nH]nc2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 18286722 HMUNAHGDBDCYKK-GFCCVEGCSA-N 268.276 1.642 50 50 CDGA biogenic,in-vitro OB(O)c1c(F)cc(OCc2ccccc2)cc1F 169745181 CDIXTACVWOYKES-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA CC(=O)N1CC[C@H](NC(=O)CCl)c2ccc(F)cc2C1 1875374763 DMHNIMGBPMSDSZ-ZDUSSCGKSA-N 298.745 1.974 50 50 CDGA CN(Cc1cnc(-n2cccn2)s1)C(=O)CCl 1875367970 DYYPHUWCZUGNJS-UHFFFAOYSA-N 270.745 1.526 50 50 CDGA O=C(CCl)OC[C@H](Br)CBr 2045594 NAXYSIZEOBNAHI-SCSAIBSYSA-N 294.370 1.927 50 50 CDGA Cc1nnsc1C(=O)N/N=C\c1cccs1 4737794 UUMUCNFOCAPZFK-YHYXMXQVSA-N 252.324 1.672 50 50 CDGA O=C(N/N=C/c1cccc(O)c1O)[C@@H]1[C@H]2CCCC[C@H]21 245231338 BRFSDZPVUKJWDB-DSLGKMGGSA-N 274.320 1.984 50 50 CDGA CC[C@@]1(CO)CO[C@H](CI)C1 521399535 ZICPUOILXZMYGJ-JGVFFNPUSA-N 270.110 1.599 50 50 CDGA CC(C)Oc1c(Br)cc(F)cc1B(O)O 169747921 QPUAAHCYYDGERH-UHFFFAOYSA-N 276.898 1.055 50 50 CDGA in-vitro OB(O)c1ccc(OCc2ccccc2)cc1C(F)(F)F 169794637 PFRQXVBDZOMJDK-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA COC(C)(C)CN1CCC(C)(NC(=O)CCl)CC1 1875376788 IQODMHBNHMRJPE-UHFFFAOYSA-N 276.808 1.621 50 50 CDGA C[C@H](Cl)C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 1875377823 OPNODQLFYGRTSP-VHSXEESVSA-N 285.727 1.707 50 50 CDGA Cc1ccoc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccn1 2325810150 BBQAMVUGXXUNIH-GHMZBOCLSA-N 285.303 1.548 50 50 CDGA CCOc1ccc(/C=N/NC(=O)C(=O)N(CC)CC)cc1 2899268 FZSYXDMIPQXCFE-LFIBNONCSA-N 291.351 1.404 50 50 CDGA NNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 257914 CXZMPXJTNZMSKQ-UHFFFAOYSA-N 267.292 1.267 50 50 CDGA CCC(=O)NNC(=O)COc1c(C)cccc1C 6263690 GVHQPGZVOQORQB-UHFFFAOYSA-N 250.298 1.240 50 50 CDGA O=C1CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O1 77319346 YIXAMRRMFCPXNC-SNVBAGLBSA-N 263.249 1.145 50 50 CDGA in-vitro Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 281627 MPRKIYOIZXMWLL-UHFFFAOYSA-N 289.722 1.997 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2ccc(O)cc2O)c1 446213 NTDVWNPNGHPTSY-UHFFFAOYSA-N 286.287 1.481 50 50 CDGA C#CCOCCSSCCOCCC(=O)O 230493379 OEMFYMUYWYWVRT-UHFFFAOYSA-N 264.368 1.509 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccn(C)n2)c(OC)c1 132303 RAPSZAYHJCNHGW-OQLLNIDSSA-N 288.307 1.201 50 50 CDGA COC(=O)[C@@H](NC(=O)[C@@H](F)Cl)c1cscn1 2325898543 JMMPJWRSPKLXEV-NTSWFWBYSA-N 266.681 1.008 50 50 CDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccnc1 58462 OLCPPWQRKZRYRS-CYBMUJFWSA-N 255.277 1.752 50 50 CDGA Cc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)o1 125182 PQXWMLILBGRAAS-VGOFMYFVSA-N 260.249 1.763 50 50 CDGA Cc1cccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)c1 169744616 GVIVFEXZCDUHPG-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H](F)Cl)c1 2325898064 RDONEQKMDFIUQU-VIFPVBQESA-N 294.735 1.839 50 50 CDGA CCCN1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@@H]2C#N 20026631 YIZCXSNPUQOUPP-JTQLQIEISA-N 290.392 1.413 50 50 CDGA Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2ncnc(O)c21 12463044 QIEOLQKZXJIYRY-LLVKDONJSA-N 280.287 1.709 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1875367043 QJGQEWOCHOPCOE-DTWKUNHWSA-N 279.789 1.230 50 50 CDGA CC(C)(C)[Si](C)(C)OCc1cc(B(O)O)ccn1 382570452 MEHGCABFJXCWSW-UHFFFAOYSA-N 267.210 1.283 50 50 CDGA COc1cccc(Nc2nc(N)nc(CCl)n2)c1 9330015 UTZXLUFZQFPMMN-UHFFFAOYSA-N 265.704 1.945 50 50 CDGA CC(C)(C)OC(=O)Nc1cc(Cl)cc(B(O)O)c1 228984079 YYIDKPOOUZOBBR-UHFFFAOYSA-N 271.509 1.367 50 50 CDGA O=C(N/N=C/c1ccccn1)c1cc(C2CC2)n[nH]1 13115168 XDRKYEOHGVUZQQ-OVCLIPMQSA-N 255.281 1.446 50 50 CDGA Cc1cc(C(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)[nH]n1 18325023 NJRPPCUYLXVFAW-DKBWTLBHSA-N 298.302 1.876 50 50 CDGA NNC(=O)COc1cccc(Oc2ccccc2)c1 260486 NNFAJYOINZSSRX-UHFFFAOYSA-N 258.277 1.848 50 50 CDGA CC[C@H]1[C@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 804161 XOZDECPIZZEJAZ-KBPBESRZSA-N 295.346 1.201 50 50 CDGA O=C(NNc1nnc[nH]1)c1ccc(C2CCC2)cc1 241644740 PTAQKOBZJIVVHC-UHFFFAOYSA-N 257.297 1.829 50 50 CDGA O=C(O)OC(=O)N1CCN(c2ccccc2F)CC1 334162873 FUYYUAOFRKHDNT-UHFFFAOYSA-N 268.244 1.762 50 50 CDGA Cc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 169743859 PEOOUPNYKOKTRH-UHFFFAOYSA-N 275.113 1.413 50 50 CDGA in-vitro O=C(N/N=C/c1ccccc1)[C@@H]1COc2ccccc2O1 291015 PENODHKOHNAVPA-ADFUCPMPSA-N 282.299 1.977 50 50 CDGA Cc1n[nH]c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 4674337 SSECTZQWGHOJHV-LLVKDONJSA-N 253.265 1.331 50 50 CDGA in-vitro N#C[C@H](Cl)CNS(=O)(=O)c1ccc(Cl)cc1 982312 UPRVAJNQWSDYRS-QMMMGPOBSA-N 279.148 1.749 50 50 CDGA Cc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 32511887 MMQUVWFVRTWNKN-LBPRGKRZSA-N 297.274 1.845 50 50 CDGA C[C@@H](Cl)C(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 1875375803 ITVJHJAFHQTSTM-MIMYLULJSA-N 273.785 1.910 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 1875375554 DKEDVBWFYOUVOK-SNVBAGLBSA-N 293.816 1.431 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1875376463 XVEZMHABIPMCND-CMPLNLGQSA-N 289.803 1.688 50 50 CDGA COCC(=O)N/N=C/c1ccc(OC/C=C/Cl)cc1 2943278 MWRJMQFPPJZPQS-CWBKEHAGSA-N 282.727 1.914 50 50 CDGA O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1CO[C@H]2OCC[C@@H]12 113208480 ULTSJNOQNKVDBM-SDDRHHMPSA-N 295.247 1.872 50 50 CDGA O=C(CBr)c1cnc(Br)cn1 215618461 YZBJIIFAKVKYLL-UHFFFAOYSA-N 279.919 1.817 50 50 CDGA O=C1c2ccccc2C(=O)N1C[C@H](O)CBr 16892760 IXDOWFRZXKJMQE-SSDOTTSWSA-N 284.109 1.038 50 50 CDGA O=C(NNC(=O)c1cccs1)c1cnc(C2CC2)o1 2325760994 HUAPZBWFEHHDEO-UHFFFAOYSA-N 277.305 1.688 50 50 CDGA N#CC(C#N)=C(N)/C(C#N)=C\C1=CCC2=NC=CC2=C1 64859329 XJZZAQSNEHXLFG-SDQBBNPISA-N 259.272 1.921 50 50 CDGA in-vitro O=C(NNC(=O)c1ccc[nH]1)c1coc(C2CCC2)n1 195325759 MGSCQFKITFFWQP-UHFFFAOYSA-N 274.280 1.345 50 50 CDGA O=C(CCl)N(C[C@H](O)c1ccccc1)C1CC1 1875364464 RGBSDSSKFCWHJO-LBPRGKRZSA-N 253.729 1.950 50 50 CDGA OB(O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 203096265 GSHNWRXALBFJMI-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA COC(=O)CNC1=C(C#N)C(=O)C[C@@H](c2ccc(C)o2)C1 100783094 VDFQWNNNRDUGJK-JTQLQIEISA-N 288.303 1.575 50 50 CDGA CC(C)[C@H](NC[C@H]1[C@@H](Cl)[C@@H]1C)c1nncn1C 585136374 CNLTYGNSFQNXTK-ZNSHCXBVSA-N 256.781 1.975 50 50 CDGA O=C(CCl)NCc1cc(Cl)c2c(c1)OCO2 1875364604 XRCIOTQPLZEJLC-UHFFFAOYSA-N 262.092 1.924 50 50 CDGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 4074211 WIQLLVBXSMNLAI-CYBMUJFWSA-N 282.303 1.945 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C\c1cccnc1 32614593 AYXYPDPDBKMXKK-NVMNQCDNSA-N 279.303 1.582 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cn3c(n2)CCCC3)cc1 43761224 SYGIORVLPXWNBQ-LICLKQGHSA-N 298.346 1.992 50 50 CDGA Cc1cc(C)cc(NC(=O)c2cccc(B(O)O)c2F)c1 169744718 WUOXZGCONLCUDT-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA Cc1ccc([C@@H](CN(C)C)NC(=O)CCl)cc1 1875367874 VLKACEDIVOKNKS-GFCCVEGCSA-N 254.761 1.953 50 50 CDGA O=C(CCl)N1C[C@@H]2C[C@H]1CN2c1ccccc1 230327274 OCPYMSYBZRYIBC-RYUDHWBXSA-N 250.729 1.715 50 50 CDGA NC(=O)N/N=C1\[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 257346621 WLDWXNQDVDIUJY-GIRQIXFBSA-N 296.168 1.162 50 50 CDGA O=C1OC[C@@]23CC[C@@H](C[C@H]12)[C@H](O)[C@H]3Br 257357936 QVFNREKEGANANW-BFYXEUSTSA-N 261.115 1.084 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2c2cccc([N+](=O)[O-])c21 254482862 GJFSSZJTVUJQDH-MMSPYSMKSA-N 271.228 1.661 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(C(=O)Nc2ccccc2)CC1 670432228 KTDXWUFTHSEOND-HTWFXAOOSA-N 297.310 1.907 50 50 CDGA CCCOc1c(Br)cc(C)cc1B(O)O 169877056 VRLCLUBYCOQMKY-UHFFFAOYSA-N 272.935 1.226 50 50 CDGA in-vitro CCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)n1C 585135937 JNVODLPZJTYYNW-CSKARUKUSA-N 275.308 1.245 50 50 CDGA OB(O)c1ccccc1COc1cc(F)cc(F)c1 169905165 HHJHWQLXFNFSHA-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA C[C@@H]1Cc2cc(CCNC(=O)CCl)ccc2O1 1875367261 JMQUTWPLUSKLHO-SECBINFHSA-N 253.729 1.908 50 50 CDGA COc1ccc([C@@H](NC(=O)CCl)[C@@H](C)O)cc1 1875374778 DYFROJLANVLJCB-PELKAZGASA-N 257.717 1.472 50 50 CDGA CCOC(=O)NNC(=O)Nc1cc(OC)ccc1OC 2141515 ILHHTRWCWYQXIT-UHFFFAOYSA-N 283.284 1.486 50 50 CDGA Cc1cc2nc(C(=O)NN)cn2cc1Br 97756692 XJEIQCSEMHNWGR-UHFFFAOYSA-N 269.102 1.009 50 50 CDGA O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1 68583652 WDBJHBRZTKCLOZ-UHFFFAOYSA-N 280.755 1.646 50 50 CDGA in-vitro CNC(=S)NNC(=O)c1cc2ccccc2cc1O 5668896 YJFIQELNLSVQAC-UHFFFAOYSA-N 275.333 1.284 50 50 CDGA OB(O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 170002349 NINLGARHPCDDQT-UHFFFAOYSA-N 284.055 1.223 50 50 CDGA O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1cccs1 1389955 LYIJHPGIQKJNOE-DTWKUNHWSA-N 294.332 1.176 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)c(C)c1 169744000 IOBVTQYGKMKSSL-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro Cc1ccc(C)c(NC(=O)c2ccc(B(O)O)cc2)c1 169745549 HCANATQAPBZHDY-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro OB(O)c1ccccc1OCc1ccccc1Cl 169856077 OOORTTOHYXWCDV-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(CCl)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 1262196140 YYYJLTGSMJLVDQ-BQBZGAKWSA-N 259.655 1.841 50 50 CDGA Cc1csc(C2(NC(=O)CCl)CCOCC2)n1 1875375132 RUIJWPZLWCEMGG-UHFFFAOYSA-N 274.773 1.812 50 50 CDGA N#C[C@@H]1CN(C(=O)CCl)C[C@@]12C(=O)Nc1ccccc12 1875375170 SVRZHTOBCMDCHX-YMTOWFKASA-N 289.722 1.097 50 50 CDGA Cn1nccc1[C@H](NC(=O)CCl)c1ccccc1 1875374892 IOXRWRTWESFAKG-CYBMUJFWSA-N 263.728 1.865 50 50 CDGA C/C(C#N)=C\CN1CCN(C(=O)c2ccc(O)cc2)CC1 1775985038 WOTCKDBXQYBJRN-AWNIVKPZSA-N 285.347 1.620 50 50 CDGA O=C(NCCc1nccn1C(F)F)[C@H](F)Cl 2325898604 NOOROIIUSCECEY-LURJTMIESA-N 255.627 1.471 50 50 CDGA CC1(C)[C@H](N)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1Br 1615002077 DJOWZQKTHWOEFL-NKIIXMILSA-N 275.190 1.402 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1ccncc1 61609 CKBWTRSIUARPEC-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA O=C(CCl)Nc1c(O)c2ccccc2[nH]c1=O 5687483 XTBAQYMHNXJQRE-UHFFFAOYSA-N 252.657 1.411 50 50 CDGA OB(O)c1ccccc1CN1CCCc2ccccc21 203194360 LNJHWRAUHQAXDP-UHFFFAOYSA-N 267.137 1.319 50 50 CDGA CC(C)CN(C(=O)CCl)[C@@H](C)CO[C@H]1CCOC1 1875382501 DISURMDZFQEMRY-RYUDHWBXSA-N 277.792 1.904 50 50 CDGA O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](F)Cl 2325898073 RIDXQGANYQWAJW-VHSXEESVSA-N 276.739 1.428 50 50 CDGA N#CC1=C(SCC(=O)O)NC(=O)[C@@H](C#N)C12CCCC2 192067 WNIFJSRDCGNVBQ-MRVPVSSYSA-N 291.332 1.369 50 50 CDGA CCC[C@@H](NC(=O)[C@@H](C)Br)C(=O)O 1699066 IHAIHVWQEFQBFU-PHDIDXHHSA-N 252.108 1.139 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)[C@@H]1COc2ccccc2O1 197781 AFRGDOJKJVDDIB-ZUZCKIMGSA-N 298.298 1.682 50 50 CDGA CCOc1ccc(OCC)c(/C=N/NC(N)=O)c1 347390 MAGHDMCOGODPHQ-RIYZIHGNSA-N 251.286 1.486 50 50 CDGA O=C(Cc1ccccc1Cl)NNC(=O)[C@H]1CCOC1 584906693 NMNKHVUCVDQBLR-JTQLQIEISA-N 282.727 1.066 50 50 CDGA COc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 261322 WBQUSZKOUNJIQJ-OQLLNIDSSA-N 274.276 1.817 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2cccnc2)C1 13685390 BBXPAYOSKFUHKB-UHFFFAOYSA-N 259.309 1.589 50 50 CDGA CCc1ccccc1NC(=O)c1ccc(F)c(B(O)O)c1 169744222 BZQKVNQNWRNRIB-UHFFFAOYSA-N 287.099 1.320 50 50 CDGA CC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 304971 UJGDSCZFTJZZFM-UHFFFAOYSA-N 268.316 1.986 50 50 CDGA O=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1 3885136 UXOOJOCKROBTEH-UHFFFAOYSA-N 284.362 1.442 50 50 CDGA O=C1OC[C@@]23CC[C@@H](C[C@H]12)[C@H](O)[C@@H]3Br 257357938 QVFNREKEGANANW-QOSZEMKLSA-N 261.115 1.084 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCC2 186461 FSPIBRZEBRVOPO-CXUHLZMHSA-N 284.319 1.671 50 50 CDGA CCCc1n[nH]c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 5023795 VESHKJRJEWDPLQ-GFCCVEGCSA-N 281.319 1.975 50 50 CDGA CCCC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1 512386 OCACURUMXQIDIJ-UHFFFAOYSA-N 289.335 1.596 50 50 CDGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN)CC1 95743363 QMPOWYLAZSUMOR-VIFPVBQESA-N 257.334 1.014 50 50 CDGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Cl)c1 19737264 MFEMBWXBVABUFJ-SSDOTTSWSA-N 299.710 1.826 50 50 CDGA Cc1c(C(=O)NNC(=O)CCl)oc2ccccc12 952850081 SXRFNWYWZLISEE-UHFFFAOYSA-N 266.684 1.741 50 50 CDGA CCOc1cccc(N2CCC(NC(=O)CCl)CC2)n1 1875367676 CXVOCFBEKXSFDN-UHFFFAOYSA-N 297.786 1.804 50 50 CDGA Cc1cccc(N2CC[C@@H](NC(=O)CCl)C2=O)c1 1875367668 BQNQRIMWKLJXFB-LLVKDONJSA-N 266.728 1.455 50 50 CDGA Cc1nn(C)c(C)c1[C@@H](NC(=O)CCl)C(F)(F)F 1875363528 HOHSFCDEYLHODQ-SECBINFHSA-N 283.681 1.995 50 50 CDGA C[C@H](NC(=S)NNC(=O)C[C@@H](C)O)c1ccccc1 2853054 FQQJDKFLCAMNTP-ZJUUUORDSA-N 281.381 1.014 50 50 CDGA OCCOc1ccccc1OCCBr 3121619 PWXJJOXCPOBYNT-UHFFFAOYSA-N 261.115 1.831 50 50 CDGA O=C(CBr)NCc1cc(F)cc(F)c1 584904505 BWFCNQHWQMGDQF-UHFFFAOYSA-N 264.069 1.976 50 50 CDGA Cc1ccc(C)c(NC(=O)c2cc(B(O)O)ccc2F)c1 169744086 ITTKZMHMESMYEV-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1875364411 METWDOOKMXSZMM-MRVPVSSYSA-N 266.728 1.881 50 50 CDGA O=C(CCl)NC1CCN(Cc2cscn2)CC1 1875364307 LDXQFEDSMBYSNB-UHFFFAOYSA-N 273.789 1.463 50 50 CDGA C[C@H](Nc1ccccc1Br)C(=O)NN 34925096 NWBOTOALGJGUII-LURJTMIESA-N 258.119 1.239 50 50 CDGA CC1(C)[C@H](N)C[C@H]1NC(=O)[C@@]1(C)C[C@@H]1Br 1615002078 DJOWZQKTHWOEFL-RFOGZPIASA-N 275.190 1.402 50 50 CDGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccn1 334764 ZNDIZMICVMIRHV-MHWRWJLKSA-N 284.275 1.683 50 50 CDGA O=C(NN=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccccn1 100452217 MPNGZQRYAILHPO-SLMGRZLQSA-N 285.347 1.738 50 50 CDGA Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@@H](C)Cl 1875375740 GYSGLNLQTIEWMI-APPZFPTMSA-N 269.732 1.461 50 50 CDGA OB(O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 197900767 GFWAXSZKGMQBDW-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccco1 2796089 KMMNUOJXJZBQME-RYUDHWBXSA-N 270.288 1.844 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1sccc1C 100109893 CVHQBTNDIHMTPG-FBWGLTFQSA-N 292.364 1.409 50 50 CDGA CC1CCN(c2cc(B(O)O)cc(C(F)(F)F)c2)CC1 230540269 UTQKLQUCWNPURS-UHFFFAOYSA-N 287.090 1.622 50 50 CDGA Cc1ccccc1NC(=O)c1cc(F)cc(B(O)O)c1 169744025 PRGVWEUEMQAIHX-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2566410 ZIWPFQJMIMCGEF-GZTJUZNOSA-N 297.314 1.784 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 298889 GMMIDNAMUDTWIS-UHFFFAOYSA-N 288.278 1.909 50 50 CDGA NNC(=O)c1ccc(COc2ccc(F)cc2)o1 115704 GXWZULSZOPXBEY-UHFFFAOYSA-N 250.229 1.601 50 50 CDGA CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 124637186 GRMLRRSJZNLDHJ-SECBINFHSA-N 291.351 1.435 50 50 CDGA OB(O)c1ccc(-c2csc(-c3ccncc3)n2)cc1 169744472 WPXUKBRXQWYSGF-UHFFFAOYSA-N 282.133 1.552 50 50 CDGA CCNC(=S)NNC(=O)c1ccc(OCC)cc1 4614458 FWPMIDNMAKQVAA-UHFFFAOYSA-N 267.354 1.214 50 50 CDGA Nc1nonc1C(=O)N/N=C/c1c(O)ccc2ccccc12 64331 LSUHRXAUIZGVJL-FRKPEAEDSA-N 297.274 1.275 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 171923 UPZUZADDSBPADJ-CZCYGEDCSA-N 298.302 1.765 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccccc1 4326637 HJANXSQBWDEMKW-CXUHLZMHSA-N 299.286 1.187 50 50 CDGA CCCCOc1cc(B(O)O)ccc1OC(F)(F)F 169964694 ZIZRMMLWHBEACN-UHFFFAOYSA-N 278.035 1.444 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1ccccc1O)C(C#N)=C(N)O2 4237595 SCIUEAMHFVWTIU-LBPRGKRZSA-N 268.276 1.642 50 50 CDGA O=C1C[C@H]2C=CC[C@H]2[C@H](CI)O1 71785998 BZZSVPLCVCXWDM-PRJMDXOYSA-N 278.089 1.929 50 50 CDGA C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)NN 16159258 BLWJFSQZXQFICN-LURJTMIESA-N 264.203 1.342 50 50 CDGA C[C@H](Cl)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 1875363578 KCOPLIMKZJACBU-WCBMZHEXSA-N 266.728 1.856 50 50 CDGA COc1ccc(N2Cc3ccc(C(=O)NN)cc3C2)cc1 442067 MCYRCHXMEPNWFQ-UHFFFAOYSA-N 283.331 1.819 50 50 CDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1 2568382 VNXUSDJHQLVNQJ-GZTJUZNOSA-N 297.314 1.784 50 50 CDGA OB(O)c1ccc(OCc2ccc(Cl)cc2)cc1 169877243 RONZDKNBNIRWIV-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CCCN(CCC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744441 FEPFOHMCXBQIEO-UHFFFAOYSA-N 283.564 1.282 50 50 CDGA C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCl 1116434619 YPQZRJNPHJXOCV-QMMMGPOBSA-N 290.772 1.092 50 50 CDGA O=C(CCl)NC[C@H]1CCN(C(=O)Cc2ccccc2)C1 1875364703 QVUIKUUGAZACDA-CYBMUJFWSA-N 294.782 1.433 50 50 CDGA Cc1cccn2cc(CCNC(=O)[C@@H](C)Cl)nc12 1875364131 FFEZVSWVXRTEJH-SNVBAGLBSA-N 265.744 1.929 50 50 CDGA Cc1cccc(C(=O)NNC(=S)NC(=O)CC(C)C)c1 2866278 DMJGWTASMSFDFS-UHFFFAOYSA-N 293.392 1.677 50 50 CDGA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NN)cs2)n1 1414040 GZHTVWFTWSVNFD-UHFFFAOYSA-N 291.258 1.260 50 50 CDGA Cc1nc(C2CC2)oc1C(=O)NNC(=O)c1ccc[nH]1 273566321 NUBGEWKSYDTWKQ-UHFFFAOYSA-N 274.280 1.263 50 50 CDGA Nc1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)n[nH]1 5173977 WTQJHDLMHPSTET-LNKIKWGQSA-N 299.121 1.458 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2c(=O)n(C)cnc2c1 1875369871 NFITZOQZGWOIGF-SSDOTTSWSA-N 265.700 1.499 50 50 CDGA C[C@@H](Cl)C(=O)NC1(CO)Cc2ccccc2C1 1875378231 XWVPMMNWGBOONM-SECBINFHSA-N 253.729 1.260 50 50 CDGA CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCl 1875367780 MQSHVAZJZKJLLX-LLVKDONJSA-N 252.701 1.289 50 50 CDGA COc1ccccc1C(=O)NNC(=O)c1ccccc1 290216 YIVBGQCRICXGCH-UHFFFAOYSA-N 270.288 1.770 50 50 CDGA NNC(=O)COc1cc(Cl)ccc1Br 242620156 PVIPCGJDRGXDDJ-UHFFFAOYSA-N 279.521 1.471 50 50 CDGA COc1ccc(CC(=O)NNC(=O)C(C)(C)C)cc1 5726554 BLONIYYILKBGNU-UHFFFAOYSA-N 264.325 1.431 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cccc(-n2cncn2)c1 1875364725 RRUWDPCYSOVRDP-SECBINFHSA-N 264.716 1.511 50 50 CDGA NC(=O)c1cc(C(=O)CBr)ccc1O 2569277 VXWSXLSUWGZOHD-UHFFFAOYSA-N 258.071 1.069 50 50 CDGA OB(O)c1cccc(-c2cccc(Br)c2)c1 261361492 ZRTBGGZPIUBZPG-UHFFFAOYSA-N 276.926 1.796 50 50 CDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccnc1 4698913 RMDCAYMHYAZECJ-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA C[C@H](Cl)C(=O)N1CCOC[C@@H]1c1cccn1C 1875377470 FGOYINDEEOCOTN-GXSJLCMTSA-N 256.733 1.552 50 50 CDGA C[C@@H](Cl)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 4226859 HXBIRCNCAWHVGU-SSDOTTSWSA-N 253.685 1.852 50 50 CDGA O=S(=O)(F)[C@H](Br)CBr 196689471 NIJDNCLEFCJVRL-REOHCLBHSA-N 269.917 1.402 50 50 CDGA Cc1c(C(=O)NN=Cc2cccnc2)sc(N)c1C#N 13111249 JMXNBXGKXHXHOK-UHFFFAOYSA-N 285.332 1.669 50 50 CDGA CN(C(=O)c1ccc(Cl)c(B(O)O)c1)C1CCCCC1 169744335 FGFRBHFCOKBVHM-UHFFFAOYSA-N 295.575 1.425 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 1875380023 CHAYJTXCNNJZGI-MEWQQHAOSA-N 275.776 1.392 50 50 CDGA CNC(=S)NNC(=O)c1ccc(C)c(Cl)c1 111466 KOTQGUAWXHRSES-UHFFFAOYSA-N 257.746 1.387 50 50 CDGA CCOC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 252430929 UNAVIWIODDXNOP-JTMCIWCCSA-N 289.125 1.121 50 50 CDGA CN(CCCNC(=O)[C@@H](F)Cl)c1ccccn1 2325898271 YQWYTRVWELZXDT-SNVBAGLBSA-N 259.712 1.559 50 50 CDGA COC(=O)NNC(=S)NCc1ccc(C)cc1 8682758 FYLWAFHZTJOUEO-UHFFFAOYSA-N 253.327 1.230 50 50 CDGA O=C(N/N=C/c1ccncc1)c1cc(C2CC2)n[nH]1 9271480 DPSVMYOPSWDRNS-OVCLIPMQSA-N 255.281 1.446 50 50 CDGA C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCl 307653552 LLGZTABCADAUIW-AAEUAGOBSA-N 266.772 1.862 50 50 CDGA O=C(NCc1ccccc1)C(=O)NNc1ccccc1 15768408 ZUGAAPPFYRNXBX-UHFFFAOYSA-N 269.304 1.446 50 50 CDGA NNC(=O)COc1ccc(C2SCCS2)cc1 118899 YTPFBADZNZQMCC-UHFFFAOYSA-N 270.379 1.534 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)C(=O)N1CCCCCC1 2918673 ZVLNSDXAOCZFQW-LFIBNONCSA-N 289.335 1.245 50 50 CDGA NC(=O)c1cc(NC(=O)CCl)c2ncccc2c1 1775988686 AARIXADXVCVEBQ-UHFFFAOYSA-N 263.684 1.511 50 50 CDGA C/C(=N\NC(=O)CNC(=O)c1ccncc1)c1ccccc1 4989897 OTAXIQRLDBRWQU-XDHOZWIPSA-N 296.330 1.352 50 50 CDGA Cc1n[nH]c(NNC(=O)c2ccccc2)c1[N+](=O)[O-] 8973153 WPALKMIPBZCECL-UHFFFAOYSA-N 261.241 1.383 50 50 CDGA O=C(CBr)NCc1ccc2c(c1)OCO2 41713566 IGZFZXURZMYSTA-UHFFFAOYSA-N 272.098 1.426 50 50 CDGA N#CC1=C(N)N=C(S)[C@@H](C(N)=O)C12CCCCC2 457550 AJLLZJJMIYYSEX-MRVPVSSYSA-N 264.354 1.074 50 50 CDGA CCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 2754302 OXQUFFIYFFARJH-UHFFFAOYSA-N 279.296 1.936 50 50 CDGA CCCCOc1ccc(C(=O)NNC(N)=S)cc1 1950439 DPIXELHKSLCTFO-UHFFFAOYSA-N 267.354 1.344 50 50 CDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1F 1952344 HNWACGOZXINQJT-VXLYETTFSA-N 299.305 1.706 50 50 CDGA O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21 97953845 WKDNYTOXBCRNPV-UHFFFAOYSA-N 294.218 1.975 50 50 CDGA in-vitro O=C(CCl)Nc1ccc(N2C(=O)C=CC2=O)cc1 2134791437 YQKRBMQNSLOHJW-UHFFFAOYSA-N 264.668 1.293 50 50 CDGA O=C1C=CC=C/C1=C/NNC(=O)c1ccccc1O 33844516 NCCJLHWEUIAECU-KTKRTIGZSA-N 256.261 1.206 50 50 CDGA in-vitro BrCCOCCOCCBr 97945822 UOWNEWCMPHICQH-UHFFFAOYSA-N 275.968 1.809 50 50 CDGA CCCSc1ncc(C(F)(F)F)cc1B(O)O 169933836 HODNOVPEGNYLMV-UHFFFAOYSA-N 265.065 1.282 50 50 CDGA in-vitro O=C(N=c1ccn([C@H]2CC2(F)F)[nH]1)[C@H](F)Cl 2325898436 CDYVKDAKJRRIDC-NJGYIYPDSA-N 253.611 1.358 50 50 CDGA Cc1c(B(O)O)cc(F)c(OC2CCCC2)c1F 169955293 BMKLLRBRMAQTHG-UHFFFAOYSA-N 256.057 1.274 50 50 CDGA O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1 5603233 RSFDIKYHALKQMF-LDADJPATSA-N 281.315 1.453 50 50 CDGA O=C(CCl)N[C@@H]1CCCN(Cc2ccccc2)C1=O 1875367701 FWSYJKMCOHQZHM-GFCCVEGCSA-N 280.755 1.533 50 50 CDGA CN1CCCc2cc(CNC(=O)CCl)ccc21 1320466791 PWASTYXKETYRSI-UHFFFAOYSA-N 252.745 1.924 50 50 CDGA CCCOc1ccccc1C(=O)NNC(=O)C1CC1 14026203 WXRKYDLFWSGKGN-UHFFFAOYSA-N 262.309 1.646 50 50 CDGA O=[P@@]1(N(CCCl)CCCl)N[C@@H](OO)CCO1 14278610 VPAWVRUHMJVRHU-GYKQLYQFSA-N 293.087 1.700 50 50 CDGA in-man O=C1CCN(C(=O)CCl)C[C@H]1Cc1ccccc1 1875374661 BWYCVLWOEDJXGV-GFCCVEGCSA-N 265.740 1.886 50 50 CDGA CCCNC(=O)/C(C#N)=C/c1n[nH]cc1C(=O)OCC 888096321 SQJJDVKVFGQSDX-RMKNXTFCSA-N 276.296 1.020 50 50 CDGA C[C@H](NC(=O)[C@H](F)Cl)C(=O)N1CCCC[C@@H]1C 2325898398 AOXNPUDBBQFSMT-CIUDSAMLSA-N 264.728 1.427 50 50 CDGA O=C(NNC(=O)c1ccc(O)cc1)Nc1ccc(F)cc1 2143630 QTARUMMSFZOVJX-UHFFFAOYSA-N 289.266 1.998 50 50 CDGA O/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 252497870 FLIVZDHPXLXDIL-RXJMRMHJSA-N 254.127 1.968 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H](O)c1ccccc1 437473 JMRMNRJOMDDHSK-ACLQVGRQSA-N 289.247 1.372 50 50 CDGA COc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1OC 12341084 UOXKUPAEYHOLNC-BJMVGYQFSA-N 295.302 1.945 50 50 CDGA O=C(Cl)CCCN1C(=O)c2ccccc2C1=O 2545698 STXHPGKNMJVJKL-UHFFFAOYSA-N 251.669 1.828 50 50 CDGA in-vitro COc1ccccc1CC(=O)NNC(=O)c1ccco1 2974421 HAIZGVCLPFFDSN-UHFFFAOYSA-N 274.276 1.292 50 50 CDGA CN1CCN(Cc2ccc(C(=O)Cl)cc2)CC1 22008571 KNBRFZWWCBSGDU-UHFFFAOYSA-N 252.745 1.813 50 50 CDGA in-vitro COc1ccc2c(c1)OC/C2=N\OC(=O)CCl 12371509 DEUZQWHYYIZTIJ-UKTHLTGXSA-N 255.657 1.574 50 50 CDGA CC(C)=NNC(=O)c1cccc(C(=O)NN=C(C)C)c1 4525411 WCMOUKYTJBDRQY-UHFFFAOYSA-N 274.324 1.938 50 50 CDGA CCO[Si](OCC)(OCC)c1ccc(OC)cc1 170160359 VIJXFDYNPXVYJQ-UHFFFAOYSA-N 270.401 1.951 50 50 CDGA COC(=O)N(C)NC(=O)Nc1cc(F)c(F)cc1OC 583650935 CZSIPIVCPDAPCF-UHFFFAOYSA-N 289.238 1.708 50 50 CDGA COc1cc(/C=N/NC(=O)c2cccnc2)cc2c1OCO2 246830 RVLDMOUPZDHPJS-REZTVBANSA-N 299.286 1.583 50 50 CDGA C=CCNC(=O)C(=O)N/N=C/c1ccccc1Cl 2902639 ALYQUPSDQNYFPE-OVCLIPMQSA-N 265.700 1.092 50 50 CDGA CCOC(=O)NC(NC(=O)OCC)C(Cl)Cl 1587793 JOCKHFIYFWFIEG-UHFFFAOYSA-N 273.116 1.608 50 50 CDGA Nc1cc(C(F)(F)F)ccc1Oc1cccc(B(O)O)c1 169977895 NSYBJNOSWRNVBT-UHFFFAOYSA-N 297.041 1.760 50 50 CDGA CCc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 6530416 CIUPEIIWGDUNAE-UHLUBPPHSA-N 260.297 1.105 50 50 CDGA CCN(CC(=O)NCc1cccs1)C(=O)[C@H](C)Cl 1875363802 AKKSJAVRNHPTSX-VIFPVBQESA-N 288.800 1.840 50 50 CDGA O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccco1 199742 VIMGAUWKCPSFGE-UHFFFAOYSA-N 284.268 1.042 50 50 CDGA CC(C)[C@H](NC[C@@H]1[C@@H](C)[C@H]1Cl)c1nncn1C 585136371 CNLTYGNSFQNXTK-DBIOUOCHSA-N 256.781 1.975 50 50 CDGA O=C(N/N=C/C=C/c1ccccc1)c1cnccn1 1825043 JCXNBBRWYGKTEL-AQHRCUNFSA-N 252.277 1.906 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1 4259387 XNCMYEWPOLVQDL-LICLKQGHSA-N 297.314 1.789 50 50 CDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1 100242370 AMHWLWFNLQCPGM-CYBMUJFWSA-N 296.282 1.350 50 50 CDGA Cc1noc(C23CC(CN2C(=O)[C@H](C)Cl)C3)n1 1875366859 NFSHHOFUPJJZDM-UVGIAHAJSA-N 255.705 1.453 50 50 CDGA CSc1ccc(NC(=O)NNC(N)=S)cc1 4793387 JHQLFEHMBFCOQT-UHFFFAOYSA-N 256.356 1.278 50 50 CDGA CC(=O)NC/C(C)=N\NC(=O)c1ccccc1Cl 4948117 UKTSNOIWDNVPIF-NVNXTCNLSA-N 267.716 1.582 50 50 CDGA C[C@H](Cl)C(=O)NCCc1c[nH]c2ncccc12 1875377651 KBSLNLDYCXGXQF-QMMMGPOBSA-N 251.717 1.849 50 50 CDGA OB(O)c1ccc([C@H](c2ccccc2)N2CCCC2)cc1 170002312 LQUWHFOJIGKLIX-KRWDZBQOSA-N 281.164 1.552 50 50 CDGA O=C(NNC(=S)NCc1ccccc1)c1cccnc1 2887685 BYEKKJACJDAUGN-UHFFFAOYSA-N 286.360 1.391 50 50 CDGA O=C(N/N=C/c1ccncc1)[C@H](O)c1ccccc1 4898875 AJSAVEBOMOLRGP-BVTUPMQUSA-N 255.277 1.265 50 50 CDGA NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 82475 HHPIIZJILLCOBV-UHFFFAOYSA-N 270.214 1.495 50 50 CDGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1 1875380091 DVCGDMHRQDZFQS-GARJFASQSA-N 272.776 1.521 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccco1 2796088 KMMNUOJXJZBQME-NEPJUHHUSA-N 270.288 1.844 50 50 CDGA CC1(C)C[C@H](C(=O)NCCN=C=S)C(C)(C)N1O 3051782 STWLEJYAXKWYSJ-SECBINFHSA-N 271.386 1.474 50 50 CDGA O[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430937 USSVIHRJYFGQCJ-KLVWXMOXSA-N 283.599 1.810 50 50 CDGA O=C(NNc1ccc(Cl)nn1)C1CC2(CCOCC2)C1 952885638 FIJSSPYVYACQBU-UHFFFAOYSA-N 296.758 1.780 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1875376464 XVEZMHABIPMCND-JQWIXIFHSA-N 289.803 1.688 50 50 CDGA Cc1cccc(OCC(=O)NNc2c(C#N)c(C)nn2C)c1 1875344525 GTOKTVQXOLMOLL-UHFFFAOYSA-N 299.334 1.431 50 50 CDGA CN(Cc1csc(C(C)(C)O)n1)C(=O)CCl 1875366066 HGWFYZNTQYWIAY-UHFFFAOYSA-N 262.762 1.568 50 50 CDGA CN(C)C(=O)N1CCN(C(=O)C(C)(C)CCl)CC1 110999362 RAOGWOUQJQAESW-UHFFFAOYSA-N 275.780 1.077 50 50 CDGA C=C1C(=O)O[C@@H]2[C@@H](O)[C@]3(C)CC[C@@H](OO)C(=CC[C@H]12)C3 101142356 JXXWNBNYEWOORY-ZHZXCYKASA-N 280.320 1.824 50 50 CDGA C[C@]1(O)[C@@H]2[C@H]3[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@@H]2[C@@H]4I 254839618 CLTFPOYVGDADLT-HOHQGMGESA-N 288.128 1.539 50 50 CDGA O=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 59569 DCUWHCJWLODERG-MDWZMJQESA-N 259.221 1.952 50 50 CDGA O=C(CCl)NCc1ccnc(OC2CCOCC2)c1 1319921834 OKCJXVVKBMUEII-UHFFFAOYSA-N 284.743 1.494 50 50 CDGA CNC(=O)CN1CCc2ccc(NC(=O)[C@@H](F)Cl)cc21 2325898773 ZVQWOCZTUUGPDV-GFCCVEGCSA-N 299.733 1.268 50 50 CDGA NNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 2732138 WDFVVZLFMBOXLU-LLVKDONJSA-N 267.760 1.542 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)cc1O 95680 CSWNACUPISDHAM-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA CO[C@@H]1COc2ccccc2[C@@H]1NC(=O)[C@@H](C)Cl 1875380720 XMGVRDMDTKJSFR-FXAINCCUSA-N 269.728 1.879 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 1875364056 HTVYHUGQOMKOQD-JMCQJSRRSA-N 289.162 1.784 50 50 CDGA CCOC(=O)NNC(=O)c1cc2cc(OC)ccc2[nH]1 189005515 VCLGBZRBDSFXIS-UHFFFAOYSA-N 277.280 1.567 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cccs1 96129732 DRDQAVPREDVABO-UHFFFAOYSA-N 271.301 1.834 50 50 CDGA COC(=O)C[C@H](NC(=O)CCl)c1cccc(C)c1 1335467560 XUKJLJBWBOWJCT-NSHDSACASA-N 269.728 1.954 50 50 CDGA CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1O 246854 UBRNPKYGXFJMTG-LICLKQGHSA-N 285.303 1.950 50 50 CDGA CN(C)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 139373 VHJKEPPRAZSECY-HFQYIWAZSA-N 299.374 1.955 50 50 CDGA O=C1C[C@H](Br)C(=O)C[C@@H]1Br 670418706 MGMVJOQHGGEIRG-IMJSIDKUSA-N 269.920 1.445 50 50 CDGA COC1(OC)CC2(CN(C(=O)CCl)[C@@H]2C(C)C)C1 1875374881 IKHOTNRCMKDRAV-LLVKDONJSA-N 275.776 1.861 50 50 CDGA C[C@@]1(O)NC(=C(C#N)C#N)C(C#N)=C1C(=O)c1ccccc1 1392749 LZVSYTLVFIOZCU-INIZCTEOSA-N 290.282 1.302 50 50 CDGA COc1ccc(C(=O)N/N=C/c2ccncc2)cc1OC 437790 MCGQCPGHHGPLGW-LICLKQGHSA-N 285.303 1.863 50 50 CDGA COCCN(CC1CCN(C)CC1)C(=O)CCl 1118920966 ZFQMOSXMSWMPSN-UHFFFAOYSA-N 262.781 1.042 50 50 CDGA O=C(CCl)N1CCOC[C@H]1C[C@H](O)c1cccs1 1116439193 MCPSXOBJZMOILZ-ZJUUUORDSA-N 289.784 1.638 50 50 CDGA Cc1ccc(C(=O)NS(=O)(=O)[C@@H](C)Cl)c(F)c1 888099692 UZOLYQYQRGUXGD-ZETCQYMHSA-N 279.720 1.779 50 50 CDGA COc1cc(OC)c(OC)cc1/C=C(\C#N)C(N)=S 377593 MOVGBOLFDPXJAS-RUDMXATFSA-N 278.333 1.905 50 50 CDGA Cc1nn(C)c(NNC(=O)Cc2ccccc2F)c1C#N 1875349985 VWLOUQLAEMIEEH-UHFFFAOYSA-N 287.298 1.425 50 50 CDGA O=C(NCc1ncn(-c2ccccc2)n1)[C@H](F)Cl 1875361904 HJUXLUOJPQEJOH-JTQLQIEISA-N 268.679 1.418 50 50 CDGA CN(C)c1ccc(NC=C(C#N)c2nn[nH]n2)cc1 2053539664 MXMPTJXXGXPLOD-UHFFFAOYSA-N 255.285 1.242 50 50 CDGA Cc1cccc(NC(=O)NNC(=O)c2cccnc2)c1 9875938 MUTYPUQDMUUIFK-UHFFFAOYSA-N 270.292 1.857 50 50 CDGA COc1cc(C(F)(F)F)cc(C(F)(F)F)c1B(O)O 209811500 BDKHHQLDEYHIEO-UHFFFAOYSA-N 287.952 1.413 50 50 CDGA in-vitro C[C@H](Cl)C(=O)NCc1nnc(C2CCC2)n1C 1875378082 VKZLDTCXKUVRCB-ZETCQYMHSA-N 256.737 1.326 50 50 CDGA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CCl)c1 1772715364 WYCGGLDGOPCPPN-FOWTUZBSSA-N 263.728 1.839 50 50 CDGA O=[P@@]1(N(CCCl)CCCl)NCCCO1 100008275 CMSMOCZEIVJLDB-AWEZNQCLSA-N 261.089 1.884 50 50 CDGA fda O=C1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)CBr 34401270 XSYQFXSFQTWSQU-OCAPTIKFSA-N 296.186 1.255 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCC2 109124 KUCUEDMYVLLALN-OVCLIPMQSA-N 299.290 1.571 50 50 CDGA C[C@H](Cl)C(=O)N(C)Cc1ncnn1CC(F)F 1875366564 XRWIGLRRZGYMNI-LURJTMIESA-N 266.679 1.129 50 50 CDGA CN(C(=O)[C@@H]1CCCN(C(=O)CCl)C1)c1ccccn1 1875370382 MTXIIOXGYREGEB-LLVKDONJSA-N 295.770 1.522 50 50 CDGA Cc1c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cnn1C 372045 TVSOJYDNJMVHQS-ZDUSSCGKSA-N 284.319 1.543 50 50 CDGA CN(NC(=O)NN)c1ncc(C(F)(F)F)cc1Cl 1395131 OXFUKJJHBDTOOT-UHFFFAOYSA-N 283.641 1.278 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1875367044 QJGQEWOCHOPCOE-IUCAKERBSA-N 279.789 1.230 50 50 CDGA O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccccc1O 273480 UWYTYVSPQBYBQP-SNVBAGLBSA-N 260.293 1.510 50 50 CDGA COC(=O)NNC(=O)COc1cc(C)ccc1C 1794841 IUOSGTKIHGGXGT-UHFFFAOYSA-N 252.270 1.069 50 50 CDGA C[C@@]1(Br)CS(=O)(=O)C[C@H]1Br 3865762 NRTPKWCCOPMHSN-RFZPGFLSSA-N 291.992 1.332 50 50 CDGA OB(O)c1cccc(OCc2ccc(F)cc2Cl)c1 169922512 IFDDLUOJDSKVCV-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA in-vitro O=C(NNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C21CC1)c1ccon1 2325807617 HJGGGZSZUOWUDF-BBBLOLIVSA-N 273.292 1.038 50 50 CDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1cccs1 2894841 OFXUXLFSHDRMJJ-CXUHLZMHSA-N 287.344 1.628 50 50 CDGA C/C(=N\NC(=O)c1ccncc1)c1ccccc1O 95481332 MAOCCGZSMYLPJX-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA O=C(Nc1ccc(F)cc1)c1ccc(B(O)O)c(Cl)c1 169744514 BUMJYYAXBZHXRZ-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA C[C@@H](Cl)C(=O)NCCCc1nc(C2CC2)n[nH]1 1875364746 SFSLAZRFSDCBJT-SSDOTTSWSA-N 256.737 1.358 50 50 CDGA Cc1cc(C)nc(NNC(=O)c2ccccc2[N+](=O)[O-])n1 234590 YLXDUMXZKZFPEF-UHFFFAOYSA-N 287.279 1.759 50 50 CDGA NNC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 2732057 PVGIRPPTPCFWKJ-LLVKDONJSA-N 267.760 1.542 50 50 CDGA OB(O)c1cc(OCC2CC2)c(Cl)cc1Cl 169934430 RGKQIQOCKXOOTN-UHFFFAOYSA-N 260.913 1.462 50 50 CDGA in-vitro Cc1nn(Cc2ccc(C(=O)NN)cc2)c(C)c1Cl 370122 WKCUCRZZLCCQMT-UHFFFAOYSA-N 278.743 1.805 50 50 CDGA O=C(N/N=C/c1ccc2nonc2c1)c1ccccc1O 1424741 CESHCKFNQBAEAV-OVCLIPMQSA-N 282.259 1.692 50 50 CDGA O=[P@](O)(c1ccccc1)c1nccn1-c1ccccn1 97976846 IBPZJUSZCUQTOG-UHFFFAOYSA-N 285.243 1.489 50 50 CDGA C[C@@H](Cl)C(=O)NCCN1C[C@H]2CCCCN2C1=O 1875366515 RBBFGFBFBQPNKR-NXEZZACHSA-N 273.764 1.020 50 50 CDGA CO[C@H]1C[C@H]2CN(C(=O)CCl)Cc3cccnc3N2C1 1875374800 FKHUXMYLDCSJAY-RYUDHWBXSA-N 295.770 1.256 50 50 CDGA Cc1occc1C(=O)NNC(=O)Cc1ccccc1 358489 PFJCQWNSEOWGBL-UHFFFAOYSA-N 258.277 1.592 50 50 CDGA COc1cc(NC(=O)CCl)ccc1NC(C)=O 3081006 LJWRDKRIXPJVSW-UHFFFAOYSA-N 256.689 1.831 50 50 CDGA CCN(CC)c1ccc(/C=N/NC(=O)CC#N)cc1 12411714 ZILTWWFTNFDWCP-LFIBNONCSA-N 258.325 1.897 50 50 CDGA Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)O)c1C 8578519 AUSNOHVBJLPVPE-SECBINFHSA-N 281.381 1.392 50 50 CDGA CC(/C=N/NC(=O)CC1=NNC(=O)C1)=C\c1ccccc1 102302398 PPVMGPMBDICZLA-PADWXVCOSA-N 284.319 1.458 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 5072944 QLMGBRFLOCYLFD-LLVKDONJSA-N 298.277 1.436 50 50 CDGA CS(=O)(=O)SCCNC(=O)CCCC1CC1 952882663 HOEYZUVQTGAXNT-UHFFFAOYSA-N 265.400 1.376 50 50 CDGA O=C(CCl)NCCc1ccn(C2CCCC2)n1 1875374243 GXDKHOSGDVSLCK-UHFFFAOYSA-N 255.749 1.896 50 50 CDGA Cc1ccc(N2CCN(C(=O)[C@H](C)Cl)CC2=O)o1 1875377871 PPTQARKMLIKVBI-VIFPVBQESA-N 270.716 1.391 50 50 CDGA CCC(=O)NNC(=O)COc1ccc(Cl)cc1 2859834 UFMPLWIQLPQSAD-UHFFFAOYSA-N 256.689 1.276 50 50 CDGA CC(=O)N[C@H](C(=O)O)C(C)(C)SSC(C)=O 3127895 GSMAUKTVMNVPNQ-SSDOTTSWSA-N 265.356 1.282 50 50 CDGA N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)NC(N)=O 221798603 NELSNSHKQQIQRP-YVMONPNESA-N 273.223 1.674 50 50 CDGA OB(O)c1ccc(OCc2c(F)cccc2F)cc1 228774345 MVUGISHBPKVKES-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA CCOC(=O)[C@@H]1C(O)=C(C#N)C(=O)[C@@H]2CCCC[C@@H]12 254765463 AYTDRHDKHKNQHE-KKZNHRDASA-N 263.293 1.890 50 50 CDGA CC(C)(C)OC(=O)n1cc(B(O)O)c2ccccc21 169746931 UAGJZZDMFOTJRN-UHFFFAOYSA-N 261.086 1.104 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cccc(Cl)c21 169989053 NXWDAFDCKRNQKL-UHFFFAOYSA-N 295.531 1.758 50 50 CDGA Cc1ccc(S(=O)(=O)NC(=O)C(Cl)Cl)cc1 457441 KGVPXIRGAZXKCJ-UHFFFAOYSA-N 282.148 1.604 50 50 CDGA Cc1cc(C(=O)NNC(=S)NCc2ccccc2)no1 370544 JQWSTBRLTXXYKH-UHFFFAOYSA-N 290.348 1.292 50 50 CDGA O=C(NNC(=O)[C@@H]1CCCS1)c1ccnc(C2CC2)n1 819661214 HHDASFBCDWWXRK-JTQLQIEISA-N 292.364 1.011 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1 435531 QCNKEFJIYGAKOV-UHFFFAOYSA-N 294.332 1.520 50 50 CDGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1cccnc1 1960368 VBPDNMVUZSLZHQ-LDADJPATSA-N 296.330 1.951 50 50 CDGA O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3885271 BJYSEWOCLXWPLH-UHFFFAOYSA-N 259.605 1.680 50 50 CDGA CCOC(=O)CC[C@@H](Br)C(=O)OCC 32155595 OXJSWZSWGJACGU-SSDOTTSWSA-N 267.119 1.656 50 50 CDGA OB(O)c1cc(OC(F)(F)F)ccc1Br 169748074 QSBIMKBCXNIDTI-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA Cn1c(CNC(=O)CCl)nnc1-c1cccs1 1875374446 QUAVKDZWCNHWJP-UHFFFAOYSA-N 270.745 1.399 50 50 CDGA Cc1cc2c(c(=O)o1)[C@H](c1ccco1)C(C#N)=C(N)O2 207751 OJKXNTQVANCZFL-NSHDSACASA-N 270.244 1.759 50 50 CDGA O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1cccs1 1389958 LYIJHPGIQKJNOE-BDAKNGLRSA-N 294.332 1.176 50 50 CDGA CCOC(=O)c1noc(C)c1C(=O)CBr 1401706 BCQBVLQEMIRZAZ-UHFFFAOYSA-N 276.086 1.737 50 50 CDGA in-vitro O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(CNc2ccccc2)O1 239433752 YKKQPWSHQGPICJ-YXMPFFBPSA-N 271.272 1.122 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1 227968 ICZZQTGHLHOMJR-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA C=CCNC(=S)NNC(=O)c1cccc(Cl)c1 4677339 QQXADVDJRUITGL-UHFFFAOYSA-N 269.757 1.635 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccccc1Cl 4990794 DWYFGMYDBMKOTQ-OQLLNIDSSA-N 297.811 1.839 50 50 CDGA CCCCNC(=O)/C(C#N)=C\c1ccc(O)c(C(=O)O)c1 275175464 FNYOYQUIYIWSEL-XFFZJAGNSA-N 288.303 1.914 50 50 CDGA Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(N)=S)ccc21 1067418 ROIDNEFPOXZELF-WEVVVXLNSA-N 272.333 1.070 50 50 CDGA Cc1cccc(C)c1OCC(=O)NNC(=O)C1CC1 5066430 IZXWNSGFTOMTRS-UHFFFAOYSA-N 262.309 1.240 50 50 CDGA Cc1[nH]nc2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 18190856 VYGIWUNRWYXGJY-LLVKDONJSA-N 253.265 1.331 50 50 CDGA CC1(C)[C@H]2C[C@H](C(=O)NNC(=O)c3ccon3)C[C@H]21 2325767725 JRSKUDJXVJJYFR-PSVAKVPMSA-N 263.297 1.118 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2cccnc2)cc1 123988 NFXQJHKPQIMGJF-UHFFFAOYSA-N 271.276 1.165 50 50 CDGA Cc1cc(C)nc(NNC(=O)[C@@]2(N)C[C@H]2c2ccccc2)n1 911883918 SFEIKWSNRYCJAG-XJKSGUPXSA-N 297.362 1.422 50 50 CDGA N#CCc1ccc(OCCNC(=O)CCl)cc1 1875364019 ABXGDARNNXRVAU-UHFFFAOYSA-N 252.701 1.486 50 50 CDGA O=C(NCCc1nccn1C(F)F)[C@@H](F)Cl 2325898605 NOOROIIUSCECEY-ZCFIWIBFSA-N 255.627 1.471 50 50 CDGA COC(=O)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 2325809577 KXYBOJDSTLKCGR-LICLKQGHSA-N 283.287 1.632 50 50 CDGA CC1=C(C(N)=O)[C@@H](C2CCCCC2)C(C#N)=C(N)O1 90061 HKILWYPIWXPKNE-LBPRGKRZSA-N 261.325 1.666 50 50 CDGA Cc1ccccc1NCC(=O)N/N=C\c1ccncc1 32606122 UARSDBIUIHWZIX-ZDLGFXPLSA-N 268.320 1.952 50 50 CDGA COC(=O)c1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@@H]12 254396024 FMXJBHKQHZUJOY-PNZRWIHMSA-N 284.267 1.540 50 50 CDGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1O 246851 PMGCFRMHNRKQMF-RQZCQDPDSA-N 285.303 1.950 50 50 CDGA Cc1cccc(C)c1NC(=O)c1ccc(B(O)O)cc1F 169744303 QQQJWRMGSCKWRL-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA Cc1ccccc1NC(=O)c1ccc(B(O)O)c(Cl)c1 169744564 WXDZHXMUXPQIDK-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA CCO[Si](C[C@@H](N)CCCCCN)(OCC)OCC 196906532 JAMDOQZGQPIDLE-ZDUSSCGKSA-N 292.496 1.881 50 50 CDGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1 244735024 NRRPJHNEWJWHFO-ITGUQSILSA-N 258.321 1.884 50 50 CDGA COc1cccc(/C=N/NC(=O)Cc2cccn2C)c1 230897 UPZPKJMDIQGBIS-LFIBNONCSA-N 271.320 1.727 50 50 CDGA O=C(CNc1ccccc1)N/N=C/c1ccccc1O 3155811 MJUMZJXENXJDKV-LICLKQGHSA-N 269.304 1.954 50 50 CDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1 18222916 AMHWLWFNLQCPGM-ZDUSSCGKSA-N 296.282 1.350 50 50 CDGA Cc1cccc(NC(=O)c2cccc(B(O)O)c2)c1C 169745528 YOBXXJGRRIXVDU-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1 4347256 RCBDYONQCGJJHH-LICLKQGHSA-N 297.314 1.789 50 50 CDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc(Cl)c1 100567819 IRHYNALULWRCEF-LBMJDHPKSA-N 292.726 1.302 50 50 CDGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1O 61573 QDODNKVJTNFMBK-LICLKQGHSA-N 285.303 1.950 50 50 CDGA O=C(N/N=C/c1ccco1)c1cccc([N+](=O)[O-])c1 262523 SKMJYCQEFOXGPG-MDWZMJQESA-N 259.221 1.952 50 50 CDGA COc1ccc(CC(=O)N/N=C/c2ccco2)cc1 432123 RZDNKSDZCVQZNO-XNTDXEJSSA-N 258.277 1.981 50 50 CDGA Cc1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)o1 278870 FUPKGLPDLTYEKD-QMMMGPOBSA-N 291.332 1.145 50 50 CDGA COC(=O)NNC(=O)Cc1cccc2ccccc12 142782 HONHEYAHVCHWRR-UHFFFAOYSA-N 258.277 1.770 50 50 CDGA COC1([C@@H](C)NC(=O)C(C)(C)CCl)CCOCC1 1875284102 LYWIDCGCLUYYFB-SNVBAGLBSA-N 277.792 1.952 50 50 CDGA O=C1C[C@H](c2ccccc2)N(C(=O)CCl)CCN1 1319786110 ZFYUDAFHOSSWNL-LLVKDONJSA-N 266.728 1.315 50 50 CDGA Cc1nc(=NC(=O)[C@@H](F)Cl)n(-c2ccc(C#N)cc2)[nH]1 2325901786 XXFFXGJDKLPMMQ-SNVBAGLBSA-N 293.689 1.342 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccn1 381633 UNBIHTCZGOPUJL-CXUHLZMHSA-N 271.324 1.504 50 50 CDGA CCCOc1ccccc1C(=O)NNC(=O)CC 14026140 MSYIFKZVTFVMNY-UHFFFAOYSA-N 250.298 1.646 50 50 CDGA COC(=O)NNC(=O)COc1ccc(Cl)cc1 2132459 NFVPURMPAKFSMA-UHFFFAOYSA-N 258.661 1.106 50 50 CDGA O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccco1 2894818 QZEBYGRERCECPK-CAOOACKPSA-N 289.266 1.299 50 50 CDGA O=C(NNC(=O)C1CC1)c1ccc2nc(S)oc2c1 170631938 FUCSGVMPLFWYSA-UHFFFAOYSA-N 277.305 1.288 50 50 CDGA CS(=O)(=O)SCCNC(=O)OCC1CCCCC1 1615057298 RMDVALHZBGLWBH-UHFFFAOYSA-N 295.426 1.986 50 50 CDGA O=C(COc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 175747 SOHFVLBRWVCXMR-RQZCQDPDSA-N 298.298 1.944 50 50 CDGA Cc1ccccc1NC(=O)c1cc(B(O)O)ccc1F 169744334 LGPFWFLEEZMXCV-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA O=C(CI)NC1CCCCC1 71772542 AOIWGBPSQWOEJO-UHFFFAOYSA-N 267.110 1.870 50 50 CDGA CC[C@]1(CO)CO[C@H](CI)C1 521399537 ZICPUOILXZMYGJ-YUMQZZPRSA-N 270.110 1.599 50 50 CDGA O=C(N/N=C/c1ccncc1)[C@H]1COc2ccccc2O1 291155 RPWBJAXMFQMTPY-IREQLNLFSA-N 283.287 1.372 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccc(O)cc2O)c1 4360476 JHIKLPOJVSCNND-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA O=C(NNC(=O)c1nc(C2CC2)cs1)c1ccon1 2325770141 IPYAPBKOBMERMH-UHFFFAOYSA-N 278.293 1.083 50 50 CDGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2)cc1 3150862 JKMPTVBNIJEIMV-LICLKQGHSA-N 298.298 1.914 50 50 CDGA O=C(Nc1cccc(Cl)c1)c1ccc(F)c(B(O)O)c1 169744452 OLJOGILHEQPBPK-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA C[C@@H](O)CNS(=O)(=O)c1cccc(CCl)c1 309132234 IIKDOZSCEFMUOI-MRVPVSSYSA-N 263.746 1.085 50 50 CDGA NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 408499 CXDVNAMCLHCSSW-UHFFFAOYSA-N 276.123 1.702 50 50 CDGA O=C(N/N=C/c1ccncc1)C(=O)Nc1ccc(F)cc1 4229634 CVIQCAPJZGBUJM-RQZCQDPDSA-N 286.266 1.310 50 50 CDGA COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 49938 QJOUOBNQMLXGNN-UHFFFAOYSA-N 284.344 1.913 50 50 CDGA C[C@@H]1CN(CCCCNC(=O)CCl)C[C@@H](C)O1 1253968782 TUSAWQYRSAMYGX-GHMZBOCLSA-N 262.781 1.231 50 50 CDGA Cc1n[nH]c2c1[C@]1(C[C@H](C)N(C)C[C@H]1C)C(C#N)=C(N)O2 5092521 XOMRCAYPPKIJTK-OLBFVZFUSA-N 287.367 1.402 50 50 CDGA CN(C(=O)c1ccc(B(O)O)c(Cl)c1)C1CCCCC1 169744162 JODWPZPKELBXFI-UHFFFAOYSA-N 295.575 1.425 50 50 CDGA CS(=O)(=O)c1ccc(/C(C=O)=C/O)c([N+](=O)[O-])c1 100260934 FYUADWBGBXPSBQ-FNORWQNLSA-N 271.250 1.096 50 50 CDGA COc1cc(B(O)O)cc(Cl)c1OCc1ccccc1 169794636 IFFSNNYWDSJWKE-UHFFFAOYSA-N 292.527 1.607 50 50 CDGA in-vitro OB(O)c1ccc(Br)cc1C(F)(F)F 169807597 CSIDLWXFPCSSOK-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA in-vitro O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(O)cc1O 16450851 LJHYMQSHTNNQGA-RMKNXTFCSA-N 298.298 1.572 50 50 CDGA OB(O)c1cc(F)c(OCc2ccccc2)cc1F 169901929 HLUICRYLUTUUEO-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA Cc1cc(Cl)c(OCc2cccnc2)cc1B(O)O 169955363 SYNHYQFOXOBFFB-UHFFFAOYSA-N 277.516 1.302 50 50 CDGA CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H](C)Cl)CCO2)o1 1875380026 CIKVSYPSNQLVKT-BDAKNGLRSA-N 287.747 1.720 50 50 CDGA CCc1cnc(N2CCN(C(=O)[C@H](C)Cl)CC2)s1 1875363911 DIKWIFMYFCELRD-VIFPVBQESA-N 287.816 1.981 50 50 CDGA CCCNC(=O)NNC(=S)Nc1ccccc1 3086241 WURYIMVORIIISY-UHFFFAOYSA-N 252.343 1.597 50 50 CDGA COCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1 115244465 PEBJXUZWQCMUAO-UHFFFAOYSA-N 285.252 1.773 50 50 CDGA Cc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 19898815 XWXMENKOCWBTAF-FOWTUZBSSA-N 299.374 1.350 50 50 CDGA O=C(N/N=C/c1ccccc1F)c1n[nH]c2c1CCC2 4517998 KPMSAIBZJPEJRI-LZYBPNLTSA-N 272.283 1.801 50 50 CDGA O=C(CCl)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1875377206 ATPVXXAABLTJCZ-LLVKDONJSA-N 296.754 1.021 50 50 CDGA O=C(CCl)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 1875378308 ZGVRZEJHIITVRT-LLVKDONJSA-N 294.738 1.470 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 18276962 FEFYJPJNZWKSKG-VKAVYKQESA-N 279.299 1.797 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)c1ccccc1F 5511712 IYMCCXARQXUSIY-UHFFFAOYSA-N 272.279 1.829 50 50 CDGA CC(C)c1nnc([C@H]2CN(C(=O)[C@@H](C)Cl)CCO2)o1 1875380029 CIKVSYPSNQLVKT-RKDXNWHRSA-N 287.747 1.720 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C 1875380280 KNFCFDULUCOEIN-NQMVMOMDSA-N 260.765 1.423 50 50 CDGA CCNC(=S)NNC(=O)COc1ccccc1Cl 6463147 YQGNSOCNVZXRKH-UHFFFAOYSA-N 287.772 1.234 50 50 CDGA COC(=O)C[C@@H](NC(=O)CCl)c1ccc(F)cc1F 1616016393 BLYDOGBEESMTSM-SNVBAGLBSA-N 291.681 1.924 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1875380523 RLQWDFPRCLUOSO-KWQFWETISA-N 287.768 1.400 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@]2(CNc2ccccc2)O1 239433751 YKKQPWSHQGPICJ-FJJYHAOUSA-N 271.272 1.122 50 50 CDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@@H]2C1 13471569 LKMRYQWWCVEQNG-MFKMUULPSA-N 267.336 1.284 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 1875378135 WEHMZZNTKUQUCR-ONGXEEELSA-N 283.759 1.611 50 50 CDGA Cc1nc(=NC(=O)[C@H](F)Cl)n(-c2ccc(C#N)cc2)[nH]1 2325901785 XXFFXGJDKLPMMQ-JTQLQIEISA-N 293.689 1.342 50 50 CDGA CC(C)(C)C(=O)NNC(=O)COc1ccccc1 8556080 VBCSTLHGONLQRM-UHFFFAOYSA-N 250.298 1.259 50 50 CDGA Cc1nn([C@H](C)CC(=O)NN)c(C)c1Br 16625291 CXARVAOWVXGVMM-RXMQYKEDSA-N 275.150 1.203 50 50 CDGA CN(C(=O)CCl)[C@H]1CCCC[C@H]1S(C)(=O)=O 1116433700 BXIUFCPPHGGDID-DTWKUNHWSA-N 267.778 1.039 50 50 CDGA Cc1cc(OCc2cccc(B(O)O)c2)ccc1Cl 169903712 MLTCJWUQGYLPLF-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA C[C@H](Cl)C(=O)Nc1cc(C#N)cc(S(C)(=O)=O)c1 1875369723 CPPJXRSVMPGRBA-ZETCQYMHSA-N 286.740 1.528 50 50 CDGA CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NN)c2C1 8996573 YAHBQFQHOVVECT-QMMMGPOBSA-N 250.346 1.554 50 50 CDGA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc(O)nc1 585127632 GBBKAQGLURNPGC-JBLDHEPKSA-N 289.335 1.375 50 50 CDGA OB(O)c1ccc(Cl)c(Br)c1Cl 1772572492 KXTREGNFOOCHHU-UHFFFAOYSA-N 269.718 1.436 50 50 CDGA Cc1cc(C)c(B(O)O)cc1NC(=O)OC(C)(C)C 1772572535 XWJLMCDUFFNXBS-UHFFFAOYSA-N 265.118 1.330 50 50 CDGA C/C(=N\NC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1 1875268715 RYKHNFWCMDRGNG-FNQVVVRFSA-N 279.727 1.459 50 50 CDGA CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCl)CC2 1875363902 DBHBIBFQASJNNA-QMMMGPOBSA-N 256.737 1.071 50 50 CDGA CCn1c(C)nc2cc(C(=O)NNC(=O)CCl)ccc21 1875378020 UEBQFXDBCCKTNZ-UHFFFAOYSA-N 294.742 1.364 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 4697392 NEMOWIIVRAMNQV-NTUHNPAUSA-N 259.225 1.082 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccccc1O 4957598 MBZRAPOEJRMZLP-XNTDXEJSSA-N 257.293 1.424 50 50 CDGA CN(C)/C=C(/C#N)n1cnc(C(F)(F)F)cc1=O 261494778 FZWVRKNPSCHGHF-ALCCZGGFSA-N 258.203 1.146 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1cc(C2CC2)n[nH]1 5687403 IFKFDSORDHPDEZ-OVCLIPMQSA-N 270.292 1.757 50 50 CDGA COc1cc(/C=N/NC(C)=O)cc(OC)c1OC 1606277 AAKWIXGHVQVGOS-NTUHNPAUSA-N 252.270 1.182 50 50 CDGA C[C@H](Cl)C(=O)NCc1nncn1-c1ccccc1 1875363943 FDUXANSVLVRFQD-VIFPVBQESA-N 264.716 1.511 50 50 CDGA CCOC(=O)[C@@H]1C(O)=C(C#N)C(=O)[C@H]2CCCC[C@H]21 101022128 AYTDRHDKHKNQHE-YWVKMMECSA-N 263.293 1.890 50 50 CDGA COc1cc(-c2cc(C(=O)NN)[nH]n2)ccc1OC(C)C 40217055 ZDEGVCVUSWXQPV-UHFFFAOYSA-N 290.323 1.476 50 50 CDGA CCOC(=O)c1c[nH]nc1/C=C(/C#N)C(=O)NC(C)C 585136032 NGFWHXKXXJTKSB-UITAMQMPSA-N 276.296 1.018 50 50 CDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1 2509130 ULACVUKTHCASRS-RQZCQDPDSA-N 285.303 1.468 50 50 CDGA CCN1C[C@H](CN(C)C(=O)CCl)Oc2ccccc21 1116433768 FDRINZIPSDSMKJ-NSHDSACASA-N 282.771 1.971 50 50 CDGA COC(=O)[C@](C)(Br)CBr 3074859 GVLXNUSEDDXIGJ-RXMQYKEDSA-N 259.925 1.708 50 50 CDGA CCc1n[nH]c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 6197587 RYEGTMJIWLVIJY-GFCCVEGCSA-N 282.303 1.896 50 50 CDGA O=[N+]([O-])c1ccc(/C=N/NP(=O)(N2CC2)N2CC2)cc1 101123811 HJJRJKXWGKJIAG-FMIVXFBMSA-N 295.239 1.258 50 50 CDGA O=C(CCl)NCCc1cnc(-c2ccccc2)[nH]1 1875374363 LZHKNPDEHNFZBG-UHFFFAOYSA-N 263.728 1.974 50 50 CDGA O=C(CCl)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 1262196143 YYYJLTGSMJLVDQ-RQJHMYQMSA-N 259.655 1.841 50 50 CDGA C[C@H](NC(=O)CCl)[C@H]1CCCN(C2CCC2)C1 1875377840 OZQWNUVGDHVQON-QWRGUYRKSA-N 258.793 1.994 50 50 CDGA Cc1ccc(NCC(=O)N/N=C\c2ccc[nH]2)cc1 31875875 XCVGPTVJJQFRFZ-MFOYZWKCSA-N 256.309 1.885 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)[nH]n1 5687359 NMQCRHSBZQRKSY-OVCLIPMQSA-N 299.290 1.959 50 50 CDGA OB(O)c1ccc(Br)cc1OC(F)(F)F 169955241 NXVYGJHJHNUQDB-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)o1 43682 JNZMCRYQOSFSRO-UHFFFAOYSA-N 258.306 1.806 50 50 CDGA aggregator CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnccn2)cc1 196358 VFSDKENSGHZWPE-UHFFFAOYSA-N 298.346 1.849 50 50 CDGA O=C(Cc1cccs1)NNC(=S)NCc1ccco1 609711 JBLKTVXMHMQTEL-UHFFFAOYSA-N 295.389 1.579 50 50 CDGA OB(O)c1ccc(COc2cccc(Cl)c2)cc1 169926341 ZSCHGAJACGHTSK-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1OCC[C@@H](O)[C@@H]1O 1501018231 KKFGQPZYDWCKRC-VWYCJHECSA-N 262.422 1.519 50 50 CDGA CCOc1ccc(Cl)c(Br)c1B(O)O 169901954 RJDIZLCTKGQGDI-UHFFFAOYSA-N 279.326 1.181 50 50 CDGA CC(C)(C)OC(=O)n1ccc2cc(B(O)O)ccc21 169951719 LMSHKSBYXDUUBM-UHFFFAOYSA-N 261.086 1.104 50 50 CDGA Nc1nc(CCl)nc(N2CCc3ccccc32)n1 541059 VZHSHXQDBWPZIK-UHFFFAOYSA-N 261.716 1.887 50 50 CDGA N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O 4829241 VYOPNXGNIPHHEB-XVNBXDOJSA-N 251.629 1.640 50 50 CDGA O=C1[C@@H]2[C@H]3[C@@H]4[C@H](I)[C@@H]5[C@H]3[C@@H]2[C@@H]5[C@@H]14 254852366 XCHONFDZXLJZCW-BOUNXGGFSA-N 272.085 1.357 50 50 CDGA O=C(N/N=C/c1cc2c([nH]1)CCCC2)c1n[nH]c2c1CCC2 46618 UIMIZNCMPUJXGP-RQZCQDPDSA-N 297.362 1.869 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cccnc2)c1OC 381405 BHVJQOOBDLPVOP-LICLKQGHSA-N 285.303 1.863 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1C1c3ccccc3C2(O)c2ccccc21 100814133 LNMNOCUGQYJRRK-DIODGJHASA-N 292.290 1.697 50 50 CDGA CC(=O)N/N=C/c1cccc(I)c1 301092 INPOZMJSFKSQKV-IZZDOVSWSA-N 288.088 1.761 50 50 CDGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccco1 323962 KEDSGLWJFRBSLM-UHFFFAOYSA-N 294.694 1.773 50 50 CDGA CCOC(=O)N/N=C/c1ccc(O)c(OCC)c1 231704 KQPFXDOBICBZAD-MDWZMJQESA-N 252.270 1.871 50 50 CDGA NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 373990 CEOWECABTHXXJU-UHFFFAOYSA-N 252.167 1.527 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)c1ccccc1C(=O)O 549703 YCCSXAOJIKLQSW-UHFFFAOYSA-N 298.298 1.389 50 50 CDGA O=C(N=c1ccn([C@@H]2CC2(F)F)[nH]1)[C@@H](F)Cl 2325898435 CDYVKDAKJRRIDC-INEUFUBQSA-N 253.611 1.358 50 50 CDGA COc1cccc(/C=N/NC(=O)c2snnc2C)c1 5792612 XYGNMYKPJUJHDA-NTUHNPAUSA-N 276.321 1.619 50 50 CDGA O=C(C[n+]1ccccc1)N/N=C/C=C/c1ccco1 1875638 AOVCBTMHJAZEFQ-PXNAYESVSA-O 256.285 1.383 50 50 CDGA C/C(=N/NC(=O)c1ccncc1)c1cc(O)ccc1O 100393672 OJQONEBFUXJRRE-SXGWCWSVSA-N 271.276 1.647 50 50 CDGA O=C1O[C@@H]2[C@@H](I)[C@H]3C[C@H]2[C@]1(Cl)C3 252427717 DBMISACUZNCQEU-YMPULBMMSA-N 298.507 1.733 50 50 CDGA CCN(C(=O)OC(C)(C)C)c1cccc(B(O)O)c1 169955545 RMQIBLZTYFLWIG-UHFFFAOYSA-N 265.118 1.128 50 50 CDGA C[C@H](Cl)C(=O)NCc1c2c(nn1C)CCCC2 1875366059 FGQVSBYUKMIBHN-QMMMGPOBSA-N 255.749 1.542 50 50 CDGA Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)CCl)cn1 1875367923 ZYBDGZQWYDOTSZ-MNOVXSKESA-N 255.749 1.486 50 50 CDGA O=C(CCl)N1CCO[C@@]2(CCc3ccccc32)C1 1875374949 LJJBZZSBUBXCSA-AWEZNQCLSA-N 265.740 1.926 50 50 CDGA CC(C)COC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NN 2273345 SKRPZVHBBNAYNT-CABCVRRESA-N 294.395 1.259 50 50 CDGA O=C(N/N=C/c1ccccc1)[C@H](O)c1ccccc1 174995 GSTNHGCERRYSOK-DSQDWWTGSA-N 254.289 1.870 50 50 CDGA Cc1nn(C)c(NNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1C#N 1875345401 ZGRDNEDTKIXOSU-QWHCGFSZSA-N 295.346 1.847 50 50 CDGA O=C(NNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cnn[nH]1 859231201 WKMCDEQUVNRQQN-VXGBXAGGSA-N 299.334 1.150 50 50 CDGA Cc1ccc(S(=O)(=O)NCCBr)cc1 4653675 GQAMLOAQALIPHC-UHFFFAOYSA-N 278.171 1.668 50 50 CDGA CCOc1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1 273302 CGWVTRYSVSKEEJ-CYBMUJFWSA-N 277.368 1.287 50 50 CDGA NNC(=O)C1(c2cccc(Br)c2)CC1 95495738 WEXUTMQOXTWMEQ-UHFFFAOYSA-N 255.115 1.471 50 50 CDGA COC(=O)c1cc(/C=C(\C#N)C(=O)OC(C)C)cnc1O 585138932 QONAQWMGQHEZCQ-ONNFQVAWSA-N 290.275 1.432 50 50 CDGA COc1ccc(C(=O)N/N=C2\CCCN2)cc1OC 142698 CICYDESIAXQVML-UHFFFAOYSA-N 263.297 1.131 50 50 CDGA NC(=O)c1cnc(O)c2cc(NC(=O)CCl)ccc12 2325890328 WCNOSDXLJFWRMR-UHFFFAOYSA-N 279.683 1.217 50 50 CDGA CCCC(=O)Nc1ccc(C(=O)NNC(C)=O)cc1 142094 JIQHAAZUSPFJHT-UHFFFAOYSA-N 263.297 1.206 50 50 CDGA C/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccccc1 408727276 DWCRNUCPCQNXAT-WOJGMQOQSA-N 282.303 1.826 50 50 CDGA CCc1[nH]nc2c1C1(CCN(C)CC1)C(C#N)=C(N)O2 5386447 QDGAHTQAJHOXFW-UHFFFAOYSA-N 273.340 1.022 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 13686254 DSHQVBSBEJSAJS-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA NNC(=O)CNc1ccc(Cl)cc1Br 300739 DHGNOPQZOHRXMX-UHFFFAOYSA-N 278.537 1.504 50 50 CDGA C/C(=N\NC(=O)c1ccncc1)c1ccccc1C(=O)O 4962472 SNJRLKPUYNNJHV-LICLKQGHSA-N 283.287 1.934 50 50 CDGA O=C1OC(=O)[C@H]2[C@H]3OC[C@@H](c4c3cccc4[N+](=O)[O-])[C@@H]12 254850455 AEKDKATZWIHCHJ-HCPDIIQCSA-N 275.216 1.079 50 50 CDGA Cc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)o1 197775 JTSLBIOVYPEZJE-UVYNJXETSA-N 286.287 1.878 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1c[nH]c2ncccc12 1875377650 KBSLNLDYCXGXQF-MRVPVSSYSA-N 251.717 1.849 50 50 CDGA O=C(CCl)NC[C@@H]1CSCCN1Cc1ccccc1 1875374838 GXBIHIFUFWOUHZ-CYBMUJFWSA-N 298.839 1.959 50 50 CDGA CCC(CC)=NNC(=O)C(=O)NC1CCCCC1 5008738 XULYOZUYNZUYMC-UHFFFAOYSA-N 253.346 1.728 50 50 CDGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(N)cc1 4964086 JVWJCNKXEBKKLC-MFOYZWKCSA-N 285.303 1.834 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccn[nH]2)c(OC)c1 301054 BBKCEWAHDUPHTA-OVCLIPMQSA-N 274.280 1.191 50 50 CDGA COC[C@H](NC(=O)CCl)c1cccc(C#N)c1 1875367142 PBCYJXQVXCDKBH-NSHDSACASA-N 252.701 1.601 50 50 CDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccco1 1754326 RZMKQWXRAXWHPP-CXUHLZMHSA-N 271.276 1.160 50 50 CDGA O=C(N/N=C/c1ccncc1)c1ccc([N+](=O)[O-])cc1 243455 QTZXVUIBUHQROD-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1ccccc1O 5731297 VXMBMURPHAXBDT-UHFFFAOYSA-N 299.261 1.618 50 50 CDGA COc1cccc(/C=N/NC(=O)Cc2cccn2C)c1O 5888477 IYLUUEGOYMVBHY-MHWRWJLKSA-N 287.319 1.432 50 50 CDGA Cc1ccccc1NCC(=O)N/N=C\c1cccnc1 32593035 FJJGWPQURHHADV-ZDLGFXPLSA-N 268.320 1.952 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@]2(CCCO2)[C@]12CCCO2 257357710 PMWXIFKDHCXLAT-RJSFJBSNSA-N 290.315 1.216 50 50 CDGA COc1ccccc1C(=O)NNC(=O)C[C@H](C)CN(C)C 1616037878 PXGRZRZEQJPVFC-NSHDSACASA-N 293.367 1.044 50 50 CDGA C[C@H](NC(=O)CCl)c1nc(C(F)(F)F)no1 1875365841 VXXUCECMIPNTBQ-VKHMYHEASA-N 257.599 1.504 50 50 CDGA O=C(CCl)N[C@@H]1CCC2(CCC1(F)F)OCCO2 1875368806 ACCGHIKKXKLNCR-MRVPVSSYSA-N 283.702 1.662 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cnccn2)cc1 228530 WFEYHZSIMPCAHM-LZYBPNLTSA-N 256.265 1.249 50 50 CDGA CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CCl 1875367678 DKDOQEUXRHUYFU-JTQLQIEISA-N 252.701 1.168 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O 1875363906 DEOBTTJJJFEDPT-SCVCMEIPSA-N 280.755 1.924 50 50 CDGA O=C(CCl)N(Cc1ccccc1)C[C@]1(O)CCOC1 309794032 XFCMUNJXWQETBV-CQSZACIVSA-N 283.755 1.405 50 50 CDGA COc1cc(C=C(C#N)C#N)cc(CN(C)C)c1O 1402286 JMIJUQNEJLTAPT-UHFFFAOYSA-N 257.293 1.893 50 50 CDGA CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1O 196709767 WFMIGOJEPFFIHE-UHFFFAOYSA-N 250.147 1.667 50 50 CDGA COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 265692 SZGWTNHJBDUMKP-GLNPCMGASA-N 286.331 1.897 50 50 CDGA Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C#N)=C(N)O2 18107388 RFKSFJCEGGRWFE-CYBMUJFWSA-N 279.299 1.902 50 50 CDGA COC[C@H](NC(=O)[C@H](C)Cl)c1cccc(C#N)c1 1875367163 UOJSCAFHAPMABC-CABZTGNLSA-N 266.728 1.989 50 50 CDGA Cc1ccccc1C(=O)Nc1ccc(C(=O)NN)cc1 588060 CBYYAWPFCWIPDL-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA O=C(N/N=C/c1ccco1)c1cc(=O)[nH]c2ccccc12 13520488 LTBIDTOXOVGGMC-CXUHLZMHSA-N 281.271 1.885 50 50 CDGA COc1cccc(C(=O)NNC(=O)c2ccccc2F)c1 299835 XDRCORQIIJIUOG-UHFFFAOYSA-N 288.278 1.909 50 50 CDGA C[C@H](Cl)C(=O)Nc1cccc2c1CCNC2=O 1875378213 XMRALYCGONLYBA-ZETCQYMHSA-N 252.701 1.538 50 50 CDGA NNC(=O)c1[nH]c2ccc(Br)cc2c1N 531037 ZNTPHTOWOXLHGC-UHFFFAOYSA-N 269.102 1.116 50 50 CDGA C[C@@]12C[C@@H](OC1=O)[C@@H](Br)C[C@H]2C(=O)O 254877839 IXVHQBAAHQDSCF-CRBZEHORSA-N 263.087 1.176 50 50 CDGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccco1 12343108 CZWGYOHMBRFRJN-KNGSKEOJSA-N 286.287 1.960 50 50 CDGA CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)Cl)C12CCOCC2 1875377800 NVRGIESPPIKNPF-GMTAPVOTSA-N 275.776 1.704 50 50 CDGA CN1C(=O)c2ccccc2[C@H]1CNC(=O)CCl 1875367679 DKDOQEUXRHUYFU-SNVBAGLBSA-N 252.701 1.168 50 50 CDGA Cn1cc(CNC(=O)CCl)c(-c2ccccn2)n1 1875377048 QOCZBBDSXSZAHV-UHFFFAOYSA-N 264.716 1.337 50 50 CDGA O=C(NNC(=O)c1ccco1)c1ccc(Cl)nc1 333996 KZHTYMXCJVWNFS-UHFFFAOYSA-N 265.656 1.403 50 50 CDGA COC(=O)CCC(=O)NNC(=O)c1cccc(Cl)c1 2131806 ADMPVIVWLMFZQN-UHFFFAOYSA-N 284.699 1.054 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccc(F)cc1F 4990408 BTYROALLDURIFD-LZYBPNLTSA-N 299.346 1.464 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 1875364791 UGCCHFWDQCDJGE-LHAQOSNKSA-N 251.757 1.876 50 50 CDGA NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2906114 GHYQNIYSCYPTOD-KAMYIIQDSA-N 281.315 1.447 50 50 CDGA Nc1nc2ccc(CBr)cc2c(=O)[nH]1 34099981 YIFNMGGSSMUALF-UHFFFAOYSA-N 254.087 1.400 50 50 CDGA O=[N+]([O-])c1ccc(Sc2ccc(B(O)O)cc2)cc1 252492188 MFISNFZDMQFLMW-UHFFFAOYSA-N 275.094 1.426 50 50 CDGA CCc1noc([C@@H]2CC[C@H](NC(=O)CCl)C2)n1 1354195475 YUISFOSWZVOXNH-SFYZADRCSA-N 257.721 1.623 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 73533 UPEPAEZZIKUYJM-GZTJUZNOSA-N 299.330 1.505 50 50 CDGA CCCc1n[nH]c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 5092566 ZAWHBVFQCAKSTI-LBPRGKRZSA-N 281.319 1.975 50 50 CDGA Cc1cccnc1C(=O)NNC(=O)c1cccnc1S 123172737 JTMFBGIJJGWGJU-UHFFFAOYSA-N 288.332 1.149 50 50 CDGA C[S@](=O)C[C@H](NC(=O)[C@@H](F)Cl)C(C)(C)C 2325820682 DVKKILPPNWZVMZ-SOBLTARESA-N 257.758 1.430 50 50 CDGA CCCCNC(=O)/C(C#N)=C/c1cnn(CCCl)c1 206206510 VIYYPOHWPJTPDO-KPKJPENVSA-N 280.759 1.945 50 50 CDGA Cc1cc(Br)c2c(c1)/C(=N/NC(N)=O)C(=O)N2 5730412 BWOTXOQOFPDSTH-UHFFFAOYSA-N 297.112 1.082 50 50 CDGA O=C(CCC(=O)NN=C1CCCC1)NN=C1CCCC1 5223940 ZZECDJKTYQLKAI-UHFFFAOYSA-N 278.356 1.859 50 50 CDGA O=C(Nc1ccccc1Cl)c1cccc(B(O)O)c1F 169744676 YQDLSLAWMCWVTD-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 1875368196 YKNJWTDRHONKTR-GHMZBOCLSA-N 280.755 1.783 50 50 CDGA C[C@@H](Cl)C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 1875368006 IFKLFZFCGANKDZ-SKDRFNHKSA-N 258.749 1.085 50 50 CDGA CSc1ncc(NC(=O)[C@@H](C)Br)cn1 3130168 MGUGNMPFNREELQ-RXMQYKEDSA-N 276.159 1.920 50 50 CDGA CC(C)(C(=O)CCl)N1C(=O)c2ccccc2C1=O 238852648 GVTQLRHQNFFQKA-UHFFFAOYSA-N 265.696 1.869 50 50 CDGA Cn1cc(CCNC(=O)CCl)c2cccnc21 1335463534 DAONOHDHWSKQAJ-UHFFFAOYSA-N 251.717 1.471 50 50 CDGA COc1ccc(/C=C(/C#N)C(N)=O)cc1Br 12366735 UWBFYSGLGROYSF-YWEYNIOJSA-N 281.109 1.850 50 50 CDGA O=C(Nc1ccccc1)c1cc(B(O)O)ccc1Cl 169744224 WWZLXBPDLXJEEU-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA CCCCOc1ccc(B(O)O)c(C(F)(F)F)c1 169955594 UXMSSDWRCUPUMP-UHFFFAOYSA-N 262.036 1.564 50 50 CDGA O=C(N/N=C(\C=N\O)c1ccccc1)c1ccco1 4567389 LVEWLTUZLLZZGL-YFVJMOTDSA-N 257.249 1.874 50 50 CDGA COCc1nc([C@H]2CCCCN2C(=O)[C@H](C)Cl)n[nH]1 1875366172 XOABGMKDGYIYCM-DTWKUNHWSA-N 286.763 1.632 50 50 CDGA NNC(=O)CSc1ccnc2cc(Cl)ccc12 161682 CSWAIRKDKKYBDU-UHFFFAOYSA-N 267.741 1.970 50 50 CDGA Cc1ccc(C(=O)NS(=O)(=O)[C@H](C)Cl)c(F)c1 888099689 UZOLYQYQRGUXGD-SSDOTTSWSA-N 279.720 1.779 50 50 CDGA O=C(N/N=C/c1ccccc1)[C@@H](O)c1ccccc1 175000 GSTNHGCERRYSOK-LUYJPIOASA-N 254.289 1.870 50 50 CDGA N#C/C(=C/c1cccs1)C(=O)NCCN1CCOCC1 19898706 PDNHOFZJPMSZKD-BENRWUELSA-N 291.376 1.103 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H](c2cnn(C)c2)C1 1875380505 QZZXCKXOKDHKDE-VHSXEESVSA-N 255.749 1.753 50 50 CDGA NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 293762 HNEHBLIAHGGOKX-UHFFFAOYSA-N 291.332 1.091 50 50 CDGA OB(O)c1c(F)ccc(OCc2ccccc2)c1F 169747982 MUKMMBLTLNKOAC-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 5631097 JWLZVDPJCOMQQO-PCPABOIYSA-N 292.379 1.529 50 50 CDGA COc1ccc([C@@H](C#N)NC(=O)CCl)c(OC)c1 1875255283 WIOWYIRFTIBJCR-SNVBAGLBSA-N 268.700 1.623 50 50 CDGA CC[C@H]1CN(CCn2cccn2)CCN1C(=O)[C@H](C)Cl 1875364287 KPKQYANYRFABDD-STQMWFEESA-N 298.818 1.433 50 50 CDGA CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cl)C[C@@]1(C)C(F)F 1875368570 AUVGZDQKCNZUFG-RGNHYFCHSA-N 297.729 1.907 50 50 CDGA COC[C@@H](NC(=O)CCl)c1cccc(C#N)c1 1875367141 PBCYJXQVXCDKBH-LLVKDONJSA-N 252.701 1.601 50 50 CDGA CCOC(=O)[C@]1(CC)CCCN1C(=O)[C@@H](C)Cl 1875377674 KPJGKCRHEYNQNC-SKDRFNHKSA-N 261.749 1.948 50 50 CDGA O=C(NNC(=O)c1ccncc1)Nc1ccccc1 347113 FISFUBWOMGVREQ-UHFFFAOYSA-N 256.265 1.548 50 50 CDGA biogenic Cc1ccc([C@@H](NCC(=O)NN)c2ccccc2)c(N)c1 170619402 PYISRLUPCGFXRN-INIZCTEOSA-N 284.363 1.246 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 1875363995 GZZSGUPICUDYEC-GHMZBOCLSA-N 286.759 1.085 50 50 CDGA OB(O)c1cc(OCc2cccnc2)c(Cl)cc1Cl 169951596 PWXWJXKJHPZREU-UHFFFAOYSA-N 297.934 1.647 50 50 CDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 4283389 XWBYSGDNVPEIFE-GZTJUZNOSA-N 297.314 1.784 50 50 CDGA N#C[C@@H](NC(=O)CCl)c1cnn(-c2ccccc2)c1 1875251989 QRGZNUYEQZXHTK-GFCCVEGCSA-N 274.711 1.792 50 50 CDGA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)[C@@H](C)Cl)C1 1875380532 RRMWQLVJJMLKMJ-QNSHHTMESA-N 298.774 1.598 50 50 CDGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1cccc(O)c1 4427036 YNPKKABXPLOXBA-OQLLNIDSSA-N 258.281 1.578 50 50 CDGA Cc1ccc(N)c([C@H](NCC(=O)NN)c2ccccc2)c1 55129596 WRURYPUGYZEBHB-MRXNPFEDSA-N 284.363 1.246 50 50 CDGA CCC(=CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)CC 152606162 FCAQLSDRAUYJPI-GFCCVEGCSA-N 288.413 1.225 50 50 CDGA COc1ccc(/C=N\NC(=O)c2ccn[nH]2)cc1OC 32609429 GOIVRNNNVKDZNA-NVNXTCNLSA-N 274.280 1.191 50 50 CDGA O=C(N/N=C/c1cccnc1)c1cc(C2CC2)[nH]n1 1239228 BLMCYLUTFIMPPE-OVCLIPMQSA-N 255.281 1.446 50 50 CDGA COc1cccc(C(=O)NNC(=O)c2ccco2)c1 299712 NWPNPDRFGFXGMW-UHFFFAOYSA-N 260.249 1.363 50 50 CDGA NC(=O)CP(=O)(c1ccccc1)c1ccccc1 300802 YXMKQDQNFRFINO-UHFFFAOYSA-N 259.245 1.486 50 50 CDGA Br[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@H]2[C@@H]3[C@H]4C12OCCO2 254556589 JCNSSYSVLNRDSQ-IITPBVAGSA-N 269.138 1.491 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccncc1 61324 GTORRVVNCWSJKS-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA COc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N 66813 KTCJWBXMBLYHNZ-UHFFFAOYSA-N 284.344 1.913 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1 432808 MBMRPWVKINZFLI-UHFFFAOYSA-N 286.287 1.476 50 50 CDGA O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1 847759 NRRPJHNEWJWHFO-RYUDHWBXSA-N 258.321 1.884 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc([N+](=O)[O-])cc1 2314791 BFNUGJIXTMHBIE-UHFFFAOYSA-N 299.315 1.813 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccncc1 61621 NXYCDDZNBGFGMD-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1875375578 FCSZTHICRCBCDE-GXSJLCMTSA-N 279.789 1.041 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1875376375 VCYFKCSVCAMVHZ-UWVGGRQHSA-N 286.763 1.025 50 50 CDGA CN(C(=O)CCl)[C@@H]1CCCN(c2ccccc2)C1=O 1320465412 JDAGLRZOONLHGB-GFCCVEGCSA-N 280.755 1.879 50 50 CDGA C/C(=N\NC(=O)[C@H]1CCCNC1=O)c1ccc(Cl)cc1 44018929 DOJIYVYQZAHJIL-UWONZBIMSA-N 293.754 1.706 50 50 CDGA OB(O)c1ccccc1COc1ccc(Cl)cc1 169926323 KYMMZJKTVPTAKX-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(N/N=C/c1ccncc1)c1n[nH]c2c1CCCC2 55641 PFSIKDMTNKYAHW-CXUHLZMHSA-N 269.308 1.447 50 50 CDGA CC1=CCCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NNC(N)=O 2981277 HODDEJOQCDTFPP-PWSUYJOCSA-N 267.373 1.890 50 50 CDGA OB(O)c1cccc(OCc2ccccc2)c1Cl 216699961 BASTYDMFDLBRGI-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccnc1 66886 GRDUOCQGQPFYBD-FRKPEAEDSA-N 269.260 1.574 50 50 CDGA O=C(Nc1cccc(F)c1)c1cc(B(O)O)ccc1Cl 169744364 RXVMIIKMBDHAPX-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA O=C(N=c1ccc(C2CC2)n[nH]1)NCC(Cl)Cl 583651022 FHTDBSPJOBGFDY-UHFFFAOYSA-N 275.139 1.701 50 50 CDGA CS(=O)(=O)c1ccc(C(=O)CBr)cn1 115010204 SXACKVTVLIPSDZ-UHFFFAOYSA-N 278.127 1.063 50 50 CDGA in-vitro CCOc1cccc(/C=N/NC(=O)c2ccncc2)c1O 437552 GIFOPBUVHUUYQO-LICLKQGHSA-N 285.303 1.950 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1513605 GLZKOJVPDFYNPF-WUXMJOGZSA-N 291.292 1.519 50 50 CDGA O=C(CCl)NCCCc1noc(C(F)(F)F)n1 1875367856 UAIIHGOPLWLUJG-UHFFFAOYSA-N 271.626 1.376 50 50 CDGA O=C(CCl)Nc1ccc(C(=O)N2CCOCC2)cc1 1442076 CFJICJMSSRZJEF-UHFFFAOYSA-N 282.727 1.336 50 50 CDGA CN(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4583065 PLNDZGSBUPZMGD-UHFFFAOYSA-N 258.665 1.846 50 50 CDGA CCOC(=O)/C(C#N)=C\c1[nH]c(C)c(C(=O)OCC)c1O 22146928 GAMKCRHUZJFNGW-TWGQIWQCSA-N 292.291 1.676 50 50 CDGA C[C@@H](CN1CCCCC1)NNC(=O)c1ccncc1 71772879 QVTJOZWJNPSWIG-LBPRGKRZSA-N 262.357 1.190 50 50 CDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccco1 433369 JPSYUWMFDWWYEK-RIYZIHGNSA-N 289.247 1.717 50 50 CDGA COc1ccccc1C(=O)NNC(=O)C(C)(C)C 5726562 KIHNIFGDKPHMFV-UHFFFAOYSA-N 250.298 1.502 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2ccccc21 18265991 AKJYXXFPVSJTON-JXAWBTAJSA-N 297.289 1.936 50 50 CDGA C[C@@H]1[C@H](O)O[C@H]2OC[C@@]3(C)C[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 390835873 DJGUTYJDEZGRGH-UFDWCNJSSA-N 284.352 1.839 50 50 CDGA biogenic,in-vitro CN1CCN(c2ccc(CCNC(=O)CCl)cc2)CC1 1875368188 XXSAAFIYFHRNBT-UHFFFAOYSA-N 295.814 1.336 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C12C(=O)Nc1ccccc12 2141458 RKVRPDNGOIQQHV-UHFFFAOYSA-N 295.327 1.011 50 50 CDGA O=C(CCl)N1C(=O)OC[C@@H]1Cc1ccccc1 2562267 DVPUBLCBQBQPOU-JTQLQIEISA-N 253.685 1.815 50 50 CDGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1 2902933 SSIKBDKVXUYVRN-GZTJUZNOSA-N 297.314 1.784 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccccc1F 4990751 ZMHBDZRAWDTXGC-OQLLNIDSSA-N 281.356 1.325 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(C)cc1 100608209 OZPHBTIWERMFLG-BPKVKKHESA-N 286.335 1.347 50 50 CDGA C[C@@H](Br)C(=O)Nc1cccc(C(N)=O)c1 41707450 XTMBCIRKFIILPZ-ZCFIWIBFSA-N 271.114 1.507 50 50 CDGA CN(C[C@H]1OCCN(C)[C@@H]1c1ccccc1)C(=O)CCl 1875377416 DJEDSSAZLASQGE-UKRRQHHQSA-N 296.798 1.756 50 50 CDGA NNC(=O)COc1ccc2ccccc2c1Br 143313 YVEYGZIYDZYEHJ-UHFFFAOYSA-N 295.136 1.971 50 50 CDGA O=C(CCl)N[C@@H]1CCN(C2CCCCC2)C1=O 1347178429 NZWNRPXSEFQPHH-SNVBAGLBSA-N 258.749 1.275 50 50 CDGA NNC(=O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 6863987 SAIIWCVQQFHADQ-RAXLEYEMSA-N 297.314 1.153 50 50 CDGA CC(C)c1nc([C@H]2CN(C(=O)[C@@H](C)Cl)CCO2)no1 1875380541 RRWDKZKHNNEDLC-RKDXNWHRSA-N 287.747 1.720 50 50 CDGA Cc1cc(C[C@H]2CCC[C@@H]2NC(=O)CCl)n(C)n1 1875366324 ACTXVQCWNHXYSK-PWSUYJOCSA-N 269.776 1.795 50 50 CDGA O=C(CCl)N[C@H](Cn1ccccc1=O)c1ccccc1 1875378310 ZHOZKJSBIKISLB-CYBMUJFWSA-N 290.750 1.945 50 50 CDGA O=C(CBr)NCc1ccc(F)cc1F 82511077 QFASOSRYKBQJCH-UHFFFAOYSA-N 264.069 1.976 50 50 CDGA CCN(CC)NC(=O)c1cc(Cl)c(N)cc1OC 95630520 GRCPYELUFNYDED-UHFFFAOYSA-N 271.748 1.917 50 50 CDGA OB(O)c1ccc(COc2cccc(C(F)(F)F)c2)cc1 169877251 IOZGRQTUNSRWBS-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA OB(O)c1ccccc1OCc1ccc(F)cc1Cl 169922428 FTSJBROJHPEWPI-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA CCCCOc1ccc(C(F)(F)F)cc1B(O)O 169934199 SZZLCARSUTXMQZ-UHFFFAOYSA-N 262.036 1.564 50 50 CDGA O=C(NNC(=O)c1cccc(Cl)c1)c1cccnc1 136734 UXCITMGUXWZDQG-UHFFFAOYSA-N 275.695 1.810 50 50 CDGA CC(C)COC[C@H](O)C[C@H](Cc1ccccc1)C(=O)NN 2273346 SKRPZVHBBNAYNT-LSDHHAIUSA-N 294.395 1.259 50 50 CDGA NC(=O)c1ccccc1N1CCC(NC(=O)CCl)CC1 1875364907 XYMOQGZZGZIUKY-UHFFFAOYSA-N 295.770 1.109 50 50 CDGA Cc1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[nH]n1 263787 HHSHWRWNZBPJLF-NTUHNPAUSA-N 273.252 1.390 50 50 CDGA O=C(CCl)Nc1ccc2c(c1F)CCNC2=O 1875377194 ARMJTUNRVSOOPD-UHFFFAOYSA-N 256.664 1.289 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1O 55655 MDULZJIXYLGUOP-CXUHLZMHSA-N 286.335 1.815 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1 275509 OBEDKDAIRJUHBX-UHFFFAOYSA-N 270.354 1.351 50 50 CDGA COc1ccccc1NN=C(C(=O)Cl)C(=O)Cl 101365203 QEYVIPLIXIISLD-UHFFFAOYSA-N 275.091 1.994 50 50 CDGA N#Cc1cccc(NNC(=O)c2cccnc2S)c1 152629204 SXOYWPLIOXZNKV-UHFFFAOYSA-N 270.317 1.999 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)c(Cl)c1 169743988 OLWULFVOADOJBR-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA in-vitro O=C(N/N=C/c1ccccn1)c1ccc(O)cc1O 431738 JSVGODKWRJICRI-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA O=C(NNS(=O)(=O)Cc1ccccc1)c1ccccc1 437936 DRWZDBSGTGSNQW-UHFFFAOYSA-N 290.344 1.451 50 50 CDGA Cc1nsc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c1C#N 1875376111 MQRVLVMLOCIYLM-MRVPVSSYSA-N 298.799 1.599 50 50 CDGA Cc1nn(C)c2ncc(CNC(=O)CCl)cc12 1875370092 BIFXQBWEOCVUCP-UHFFFAOYSA-N 252.705 1.132 50 50 CDGA O=C(CCl)NC12CC(N3CCCCC3=O)(C1)C2 1875378220 XTGUAMSXJIBIHN-UHFFFAOYSA-N 256.733 1.029 50 50 CDGA COc1ccc(C(=O)N[C@@H](O)C(Cl)Cl)cc1 977706 ZWXKEXVFHJDJFO-JTQLQIEISA-N 264.108 1.547 50 50 CDGA CN1C(=O)/C(=N\NC(=O)Cc2cccn2C)c2ccccc21 85859199 NMTQSZNRLVVBDH-SDXDJHTJSA-N 296.330 1.065 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1[C@@H]3[C@@H]4[C@H]2[C@]25CCCC[C@]12[C@H]3[C@@H]45 254381805 OCGKLAPJHREOCD-RQUSSEGBSA-N 256.301 1.614 50 50 CDGA CSc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1 170619848 YYDUTEKKSZSQHE-POHAHGRESA-N 254.336 1.561 50 50 CDGA CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1 291790 KMPKFKBTENQBOP-SDNWHVSQSA-N 285.347 1.518 50 50 CDGA N#CC1=C(N)Oc2cc(O)cc(O)c2[C@@H]1c1cccnc1 407982 CWAKHJLDVJYQIZ-CYBMUJFWSA-N 281.271 1.711 50 50 CDGA CCc1n[nH]c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 18106691 XWEIUABTJGEDGF-GFCCVEGCSA-N 298.302 1.601 50 50 CDGA O=C(Nc1ccccc1)c1ccc(Cl)c(B(O)O)c1 169744631 BUMZXWHGKKNBHB-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA Cc1ccc([C@@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511204 YISIIJDKYGEHIN-LLVKDONJSA-N 252.281 1.295 50 50 CDGA CCOC(=O)NNC(C)=C1C(=O)CC(C)(C)CC1=O 2080383890 AVDNVZHRUXYFSD-UHFFFAOYSA-N 268.313 1.469 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(O)cc1 55887 VIFXIEVUAGSVFB-CXUHLZMHSA-N 286.335 1.815 50 50 CDGA CCc1noc([C@H]2CC[C@H](NC(=O)CCl)C2)n1 1354195479 YUISFOSWZVOXNH-YUMQZZPRSA-N 257.721 1.623 50 50 CDGA N#CC(=C1NCCCN1)c1ccc(C(F)(F)F)cn1 170610661 WGYKTKQRUKACQJ-UHFFFAOYSA-N 268.242 1.875 50 50 CDGA OB(O)c1cc(OCc2ccccc2)c(F)cc1F 169934889 PRNFGNBWYJGOGS-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 360921 NAGSEOXZAYUEJX-RQZCQDPDSA-N 299.286 1.309 50 50 CDGA Cc1c(Cl)cccc1NC(=O)NNC(=O)C[C@H](C)O 5060172 LNDUTZPGRPJDNH-ZETCQYMHSA-N 285.731 1.572 50 50 CDGA O=C(NCc1ncn(-c2ccccc2)n1)[C@@H](F)Cl 1875361905 HJUXLUOJPQEJOH-SNVBAGLBSA-N 268.679 1.418 50 50 CDGA COc1ccc(/C(C#N)=C/N2CCOCC2)cc1OC 161934 CDRAPSAHVZZOKH-ACCUITESSA-N 274.320 1.900 50 50 CDGA O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccccc1 1276013 SZDZBVCLTQMPQC-VHSXEESVSA-N 274.725 1.248 50 50 CDGA CC(C)N(Cc1cc(B(O)O)ccc1F)C(C)C 230540468 PYYIDOBCANTITE-UHFFFAOYSA-N 253.126 1.124 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)[C@@H]1CC12CCC2 15636346 FOWFBELUTDSOFE-JTQLQIEISA-N 269.304 1.649 50 50 CDGA CC(C)N(C(=O)c1ccc(B(O)O)c(Cl)c1)C(C)C 169744227 GQDRLIXRWMCMEY-UHFFFAOYSA-N 283.564 1.279 50 50 CDGA NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1 2576740 NFDMIZYZTQEQAS-UHFFFAOYSA-N 285.750 1.681 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1ncccc1C 175016888 PSCDXVDIGCJQLY-UHFFFAOYSA-N 269.304 1.773 50 50 CDGA O=C(CCl)NC[C@@H]1C(F)(F)C12CCOCC2 1875368913 FIVXBJYPRCZNHT-ZETCQYMHSA-N 253.676 1.403 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 137707 MYCVFAAFKUCESD-MDWZMJQESA-N 259.221 1.952 50 50 CDGA NNC(=O)c1cc(Br)c(Br)s1 1001353 XYZOOBRFZARVRB-UHFFFAOYSA-N 299.975 1.877 50 50 CDGA in-vitro CCCN(C=O)/N=C/c1ccc([N+](=O)[O-])cc1O 432614 ZQYXAOOICICWDO-KPKJPENVSA-N 251.242 1.503 50 50 CDGA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](C)Cl 1875377356 CVJXAQCJAFBQPD-NXEZZACHSA-N 260.765 1.377 50 50 CDGA O=C(CCl)N1CCC(Oc2cncc(Cl)n2)CC1 1875377255 BBKWUDYHTDIQBB-UHFFFAOYSA-N 290.150 1.739 50 50 CDGA CC(=O)[C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 4530119 CYAUEWIEIHXKAI-SECBINFHSA-N 256.645 1.730 50 50 CDGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccn1 35989480 PITRHWYGNKOCIB-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA O=C(N/N=C/c1ccco1)[C@@H]1COc2ccccc2O1 147055 OPFBQGORAOGBAG-LIOBOASVSA-N 272.260 1.570 50 50 CDGA CC(C)(C)OC(=O)Nc1ccc(Cl)c(B(O)O)c1 169978182 FGNSNEPLTJACPZ-UHFFFAOYSA-N 271.509 1.367 50 50 CDGA O=C(CCl)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 1875378313 ZKUKEAWIYMCQBM-KBPBESRZSA-N 296.798 1.224 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 1875378134 WEHMZZNTKUQUCR-MWLCHTKSSA-N 283.759 1.611 50 50 CDGA CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)[C@@H](C)Cl 1875364281 KPKQYANYRFABDD-CHWSQXEVSA-N 298.818 1.433 50 50 CDGA O=C(CCl)N1CCC[S@](=O)c2ccccc21 1776007166 VJZSIBYVLWCUBH-INIZCTEOSA-N 257.742 1.770 50 50 CDGA Cc1ccc(NC(=O)NNC(=O)c2snnc2C)cc1 1383854 STDKJLMXYLSXDX-UHFFFAOYSA-N 291.336 1.621 50 50 CDGA C[Si](C)(C)CCOCn1c(B(O)O)cc2cccnc21 169989699 DQFVCHOOFJTJTA-UHFFFAOYSA-N 292.220 1.028 50 50 CDGA COC(=O)/C(C#N)=C/c1ccncc1Br 4542877 LAIDOHMXJXVMIN-XBXARRHUSA-N 267.082 1.924 50 50 CDGA C[C@H](NC(=O)CCl)C(=O)N1c2ccccc2C[C@@H]1C 1875375205 UXZBUQZAICTTBC-UWVGGRQHSA-N 280.755 1.708 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccncc1OC[C@H]1CCOC1 1875377834 OWTQIPIPOORJJW-QWRGUYRKSA-N 298.770 1.740 50 50 CDGA C[C@H](NC(=O)CCl)c1cn(-c2ccccc2)nn1 1875364111 IPBWYHXSKNFLHX-VIFPVBQESA-N 264.716 1.683 50 50 CDGA Cc1nn(-c2ccccc2)c2c1/C(=N/NC(N)=O)CCC2 2080385421 HKGLCUVINYCLEQ-SFQUDFHCSA-N 283.335 1.889 50 50 CDGA COC(=O)c1cc(C(=O)OC)n(CCCCl)n1 39000482 GEDQMBDLOWPXJS-UHFFFAOYSA-N 260.677 1.085 50 50 CDGA NC(=O)N/N=C/CCn1c(=O)sc2ccccc21 5519343 XZDLMNUAHHAIFH-AWNIVKPZSA-N 264.310 1.107 50 50 CDGA CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H](C)Cl)C1(C)C 1875376220 PGLGQILWVVMOTI-LNLATYFQSA-N 263.765 1.296 50 50 CDGA N#CCCN(CCC#N)C(=O)CN1CCSSCC1 888093037 GLFRFFZPCILBGY-UHFFFAOYSA-N 298.437 1.339 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC 61565 HPXIKMBHOXLFOR-LICLKQGHSA-N 285.303 1.863 50 50 CDGA in-man C[C@@H](Cl)C(=O)N(C)[C@@H]1CCCc2c1cnn2C 1875377967 SJJPAXPXCLGMEG-PSASIEDQSA-N 255.749 1.883 50 50 CDGA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H](C)Cl)n2)c1 1875376278 RBIHUWJRRJYQQQ-BDAKNGLRSA-N 293.758 1.980 50 50 CDGA CN(CCCNC(=O)[C@H](F)Cl)c1ccccn1 2325898270 YQWYTRVWELZXDT-JTQLQIEISA-N 259.712 1.559 50 50 CDGA O=C(Cl)[C@@H](Br)CBr 4521379 HWKWYDXHMQQDQJ-REOHCLBHSA-N 250.317 1.910 50 50 CDGA in-vitro OB(O)c1cccc(OCc2cccc(F)c2F)c1 169924046 HCKLCQNNWBHEBX-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro COc1ccc(CSc2ccc(B(O)O)cc2F)cc1 169903876 FUYZRHIGCBXJIX-UHFFFAOYSA-N 292.140 1.806 50 50 CDGA CC(C)C[C@H]1C(=O)NCCCN1C(=O)[C@@H](C)Cl 1875377360 CVJXAQCJAFBQPD-ZJUUUORDSA-N 260.765 1.377 50 50 CDGA Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)CCl 1875378059 VAMFZJNZNHEPMC-GFCCVEGCSA-N 296.754 1.782 50 50 CDGA C[C@@H](NC(=O)CCl)c1ccc2c(c1)CC(=O)N2C 1324707494 WNTPNDXUAJPFNU-MRVPVSSYSA-N 266.728 1.622 50 50 CDGA CC1=C(C#N)[C@@H](N(C)C)C2=C(CC(C)(C)CC2=O)N1 406451 NSAMZEKRQZERQN-CQSZACIVSA-N 259.353 1.961 50 50 CDGA O=C(CCl)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 4566421 VFWPACKJMNBZMF-UHFFFAOYSA-N 259.605 1.680 50 50 CDGA COc1ccc(OC)c(C(=O)N/N=C/c2ccccn2)c1 438394 KNCGGVGSVKXHKC-LICLKQGHSA-N 285.303 1.863 50 50 CDGA OB(O)c1cc(C(F)(F)F)ccc1Br 169747993 MMCSHRKBEOIKBX-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2oc(=O)n(C)c2c1 1875363876 CFZFTGGJLVQYDO-LURJTMIESA-N 254.673 1.697 50 50 CDGA C[C@H](Cl)C(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 1875364496 SNOGNAANIJPFCI-YUMQZZPRSA-N 267.778 1.038 50 50 CDGA O=C(COc1ccccc1Cl)NNC(=O)C1CC1 486487 MWVRWGJYDHLIQJ-UHFFFAOYSA-N 268.700 1.276 50 50 CDGA COc1ccc(Cc2ccc(F)cc2)cc1B(O)O 198056051 LPTLSSXSMLSLHR-UHFFFAOYSA-N 260.073 1.105 50 50 CDGA OB(O)c1ccc(F)cc1OCCc1ccccc1 211670903 YJPWTOOGOWDKRE-UHFFFAOYSA-N 260.073 1.127 50 50 CDGA CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1OC 2892302 DPYGAKWLBVDIQM-XNTDXEJSSA-N 277.324 1.014 50 50 CDGA CO[C@@H](C(=O)NN=C1CCN(C)CC1)c1ccccc1 55436412 LYNPUTCLBNYGHM-CQSZACIVSA-N 275.352 1.572 50 50 CDGA C[C@@H](I)CCSC(=N)N 45069821 RLGWDOMBEQDDLX-SCSAIBSYSA-N 258.128 1.827 50 50 CDGA O=C(CCl)N1CCOc2ccc([N+](=O)[O-])cc21 95644352 YFZPCWINCBLWBO-UHFFFAOYSA-N 256.645 1.559 50 50 CDGA O[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430938 USSVIHRJYFGQCJ-QTBDOELSSA-N 283.599 1.810 50 50 CDGA OB(O)c1c(Br)ccc(Br)c1F 169748125 KALJKPUYTUFGLI-UHFFFAOYSA-N 297.714 1.031 50 50 CDGA in-vitro OB(O)c1cc(OCc2ccccc2)cc(C(F)(F)F)c1 169995164 MHUAAZABXBWEPZ-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA in-vitro C/C(=N\NC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 12343258 CMUXVVKCOHKQTP-RIYZIHGNSA-N 273.252 1.472 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc(C(=O)N(C)C)nc1 1875377744 MMIYKTXAJZTJLN-SSDOTTSWSA-N 255.705 1.349 50 50 CDGA O=C(Cc1ccccc1Cl)NNC(=O)[C@@H]1CCOC1 584906694 NMNKHVUCVDQBLR-SNVBAGLBSA-N 282.727 1.066 50 50 CDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccncc1 2573367 RGJROWJIGZNVIZ-LICLKQGHSA-N 298.302 1.179 50 50 CDGA C[C@H](Cc1ccccc1)NC1=C(C#N)CCCNC1=O 27569839 JHCOTHWETKZXSU-GFCCVEGCSA-N 269.348 1.895 50 50 CDGA CC(C)Oc1cc(OC(F)(F)F)cc(B(O)O)c1 169934212 ZOSBEBVLVCKJTI-UHFFFAOYSA-N 264.008 1.052 50 50 CDGA Cc1cccc(C(=O)NNC(=S)NCc2ccco2)c1 45343 SHHPFQCDRYHQAN-UHFFFAOYSA-N 289.360 1.897 50 50 CDGA O=C1[C@@H]2[C@@H]3[C@@H]4[C@H](I)[C@@H]5[C@H]3[C@@H]2[C@@H]5[C@@H]14 254852376 XCHONFDZXLJZCW-RBIOMSOQSA-N 272.085 1.357 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(O)cc(O)c1 46045 WXHOQSADKZUVGB-VIZOYTHASA-N 288.259 1.273 50 50 CDGA C=CC(=O)OC[C@H](Br)CBr 5192875 MUKJDVAYJDKPAG-RXMQYKEDSA-N 271.936 1.874 50 50 CDGA in-vitro COc1ccc([C@H](O)[C@H]2CCCN2C(=O)CCl)cc1 1875378172 WQQWSLHSPOURIW-OCCSQVGLSA-N 283.755 1.958 50 50 CDGA Nc1nnc(CC(=O)N/N=C/c2cccc(Cl)c2)s1 66452 YUFBAEPBARRCAU-MKMNVTDBSA-N 295.755 1.467 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccco1 38795 ONXZBQSHSGQIFU-GFCCVEGCSA-N 274.276 1.924 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@H]1C[C@@H]3C[C@@H]2[C@@H]1C3 257356715 JWKGKWVATJJPBG-TXHNXNQSSA-N 256.301 1.924 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O 1875375399 BBSROSRWUDARSK-XHNCKOQMSA-N 299.758 1.494 50 50 CDGA C[C@H]1c2ccc(C#N)n2CCN1C(=O)[C@@H](C)Cl 1875374195 FDFUCPCOBMBNEE-BDAKNGLRSA-N 251.717 1.890 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1cccnc1 196356 BVWAJQGVTNGDHH-UHFFFAOYSA-N 255.277 1.465 50 50 CDGA NNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 87489338 ULGPUXTZOOUIMA-GFCCVEGCSA-N 277.324 1.025 50 50 CDGA in-vitro NNC(=O)C1(c2ccc(Br)cc2)CC1 37389483 JNCDEECWYKWYAS-UHFFFAOYSA-N 255.115 1.471 50 50 CDGA in-vitro Cc1c(C(=O)NN)cnn1-c1cccc(Cl)c1 2532538 MFDNABOMHGJFFI-UHFFFAOYSA-N 250.689 1.438 50 50 CDGA O=C(NCCc1ccccc1)C(=O)NN=C1CCCC1 4499485 PIIXHXYQSSMQCO-UHFFFAOYSA-N 273.336 1.392 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cccc(F)c21 169810362 AHFAZIPJGLAFSE-UHFFFAOYSA-N 279.076 1.243 50 50 CDGA in-vitro CCOC(=O)c1c2c(nn1C)CCN(C(=O)[C@H](C)Cl)C2 170278093 CDWSWRZTUJRENZ-QMMMGPOBSA-N 299.758 1.109 50 50 CDGA CC(C)(C)OC(=O)NNC(=O)[C@H]1CC12CCOCC2 170652182 GQDFICYCNPRRKD-SECBINFHSA-N 270.329 1.359 50 50 CDGA CCCCC(=O)NNC(=S)NCc1ccccc1 13518967 GITDZONIFMSREG-UHFFFAOYSA-N 265.382 1.872 50 50 CDGA COc1ccc([C@@H]2OCC[C@H]2NC(=O)[C@@H](C)Cl)cn1 1875380276 KLEYPCVBFYCUGQ-UISBYWKRSA-N 284.743 1.664 50 50 CDGA Cc1c(C(=O)CBr)sc2ncnn12 170010 CLTQEMWAQHHHBU-UHFFFAOYSA-N 260.116 1.677 50 50 CDGA C[C@H](NC(=O)CCl)c1nc2ccccc2n1C 32919533 JBFUETSETJUFKV-QMMMGPOBSA-N 251.717 1.989 50 50 CDGA O=C(CCl)NC1(c2ccc3c(c2)OCCO3)CC1 1334364998 MPNSWCDPKOOMPZ-UHFFFAOYSA-N 267.712 1.802 50 50 CDGA CC(C)Oc1ccc(OC(F)(F)F)cc1B(O)O 169806877 PJWXIRIEFGTCOH-UHFFFAOYSA-N 264.008 1.052 50 50 CDGA NNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 206603 CKTZAUGOCGFTHF-UHFFFAOYSA-N 267.292 1.088 50 50 CDGA CCCCNC(=O)NNS(=O)(=O)c1ccc(C)cc1 2101789 RXSUASVQBRBYFQ-UHFFFAOYSA-N 285.369 1.288 50 50 CDGA O=C(NN=C1CCCCC1)C(=O)NC1CCCCC1 4832397 DBUXEWSJWGXICI-UHFFFAOYSA-N 265.357 1.872 50 50 CDGA COc1c(C)cnc(CN(C)C(=O)CCl)c1C 1319923524 NSLCMFCIYFPFQA-UHFFFAOYSA-N 256.733 1.904 50 50 CDGA Cc1ccc([C@H]2CS(=O)(=O)CCN2C(=O)CCl)o1 1875368861 BEDAZKYQDLNMHS-SECBINFHSA-N 291.756 1.125 50 50 CDGA O=C1c2ccccc2S(=O)(=O)C[C@H]1Br 336682 DEGLAKGDZIPTAY-SSDOTTSWSA-N 275.123 1.420 50 50 CDGA C[C@H](Cl)C(=O)NCc1cc(C(F)F)nn1C 1875376287 RFHYKRBWBCUNEQ-YFKPBYRVSA-N 251.664 1.601 50 50 CDGA O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1ccccc1 4302543 IYJOWULNYPENPP-LICLKQGHSA-N 285.278 1.915 50 50 CDGA Cc1c(F)c(B(O)O)cc(Br)c1Cl 1772575843 SLLQNDQZNONIRM-UHFFFAOYSA-N 267.290 1.230 50 50 CDGA CC(C)(C)COC(=O)c1ccc(Cl)cc1B(O)O 197980713 YTWKNWCOCNXTEX-UHFFFAOYSA-N 270.521 1.223 50 50 CDGA CN(C[C@H](O)c1cc(O)ccc1Cl)C(=O)CCl 1875379650 SRGBPQJRKRXEDQ-JTQLQIEISA-N 278.135 1.776 50 50 CDGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1ccccn1 35337231 DYNFTDJOESOVEL-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA COc1ccc(/C=N/NC(=O)C2CC2)c(OC)c1OC 437406 ORLGSFDCWLFKNQ-OVCLIPMQSA-N 278.308 1.573 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccnc1 274721 KDKVQTKLWWJERB-UHFFFAOYSA-N 255.306 1.300 50 50 CDGA O=C(CNC(=O)c1cccs1)N/N=C/c1ccco1 2894390 VRFGXGBNKBZAAH-VGOFMYFVSA-N 277.305 1.221 50 50 CDGA CCc1[nH]nc2c1[C@@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 6530417 CIUPEIIWGDUNAE-FUXBKTLASA-N 260.297 1.105 50 50 CDGA O=c1c2ccccc2ncn1CCBr 20295892 COWCNNNWVPGRPF-UHFFFAOYSA-N 253.099 1.791 50 50 CDGA OB(O)c1ccc2c(c1)Sc1ccccc1S2 196442331 GCSOJZMPHLRBMJ-UHFFFAOYSA-N 260.148 1.982 50 50 CDGA COC(=O)/C(C#N)=C/c1cc(OC)c(O)c(OC)c1 439304 RIATTXRBOBWMME-RUDMXATFSA-N 263.249 1.489 50 50 CDGA N#Cc1cccc2c1-c1ccccc1/C2=N\NC(N)=O 13111358 VHLGTTQJSLOIFI-NBVRZTHBSA-N 262.272 1.959 50 50 CDGA CC(C)=NNC(=O)c1c(O)c2ccccc2[nH]c1=O 13638792 VJHYFWDCBMZLDV-UHFFFAOYSA-N 259.265 1.359 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1 18144190 APCVXKLCYHVYQW-RIYZIHGNSA-N 258.281 1.491 50 50 CDGA COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)CCl)C2 1875374985 MTZWSGQEGNMUQF-QWRGUYRKSA-N 274.792 1.325 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 58815 ROPBREOPNNIYEO-LICLKQGHSA-N 283.287 1.632 50 50 CDGA Cc1ccoc1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1CC2=O 2325810631 VHIBTVRNARMUII-GMTAPVOTSA-N 290.319 1.354 50 50 CDGA NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 116496 BERIITZPKWMYDS-CQSZACIVSA-N 252.317 1.983 50 50 CDGA O=S(=O)(NCCCl)c1ccc(Br)cc1 1610578 IQQUVNLTSMUXLK-UHFFFAOYSA-N 298.589 1.966 50 50 CDGA in-vitro N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1ccsc1 9110033 VRZOGQHRYBBYOJ-MRVPVSSYSA-N 293.373 1.305 50 50 CDGA O=S1(=O)[C@H](Cl)[C@@]2(N3CCOCC3)CCCCC[C@H]21 101042224 NWBMSCJUQNCYMC-GRYCIOLGSA-N 293.816 1.383 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2c2c1cccc2[N+](=O)[O-] 254482867 GJFSSZJTVUJQDH-RJVLYZLMSA-N 271.228 1.661 50 50 CDGA CCO[Si](CCCOC[C@@H]1CO1)(OCC)OCC 169808164 JXUKBNICSRJFAP-GFCCVEGCSA-N 278.421 1.840 50 50 CDGA in-vitro OB(O)c1cc(Br)cc(Oc2ccccc2)c1 169964610 AMTOJYMQDUXNJR-UHFFFAOYSA-N 292.925 1.921 50 50 CDGA C[C@H](Cl)C(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 1875376299 RSTLOWDRUZVHHN-SUHUHFCYSA-N 267.756 1.896 50 50 CDGA CCOC(=O)C1=C(N)OC(N)=C(C#N)[C@@H]1c1ccccc1 407996 MJFZKXTXVRVCKK-NSHDSACASA-N 285.303 1.228 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3C[C@H]5C[C@H]4[C@H]3C5)[C@@H]12 257356716 JWKGKWVATJJPBG-VVXRTTDDSA-N 256.301 1.924 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1cc(C)n[nH]1 257719 KONNAGQYNCPMDV-RIYZIHGNSA-N 258.281 1.491 50 50 CDGA OB(O)c1ccc(-c2csc(N3CCCCC3)n2)cc1 169744726 COIPGBLOSPNZJC-UHFFFAOYSA-N 288.181 1.480 50 50 CDGA CCO[Si](CCCNC(N)=O)(OCC)OCC 169808777 LVNLBBGBASVLLI-UHFFFAOYSA-N 264.398 1.093 50 50 CDGA Cc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1 66423 MAWOLPBZZAMIPJ-VGOFMYFVSA-N 275.337 1.122 50 50 CDGA O=C(COc1ccccc1)NNC(=O)[C@@H]1CC12CCC2 342712 WYDYUDUFGNWOLA-LBPRGKRZSA-N 274.320 1.403 50 50 CDGA COc1ccc(C=C(C#N)C#N)cc1CN1CCOCC1 19773000 ZSVAHHYUFFHEOM-UHFFFAOYSA-N 283.331 1.958 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 100260205 PEQLCEKHJMKZBY-VKAVYKQESA-N 295.298 1.503 50 50 CDGA CCOC(=O)/C(C#N)=C1/C=CC(Br)=CN1 100005652 BYOLLNBSJYJESH-HJWRWDBZSA-N 269.098 1.723 50 50 CDGA COc1ccc(/C=C/C=N/C(C#N)=C(\N)C#N)cc1 138125826 DYOZTESMEPQUOP-IEVDRQABSA-N 252.277 1.997 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)cc1 436526 GWPJZXYZSABWPG-CXUHLZMHSA-N 285.303 1.158 50 50 CDGA CC(C)COc1cc(B(O)O)ccc1C(F)(F)F 169964784 JEYNJBYXUIEAPH-UHFFFAOYSA-N 262.036 1.420 50 50 CDGA O=C(N/N=C1/CN2CCC1CC2)c1ccc(O)cc1 4737809 HUFGMLLWTSWEHV-SQFISAMPSA-N 259.309 1.204 50 50 CDGA Cc1ccccc1-n1nc(C(=O)NNC=O)c2c1CCC2 521394136 QUZZNDNMJFUKBE-UHFFFAOYSA-N 284.319 1.060 50 50 CDGA COc1cccc(C(=O)NNC(=O)CCCCCl)c1 242538930 JIGUIFUSEMAFLE-UHFFFAOYSA-N 284.743 1.865 50 50 CDGA Cc1ccc([C@H](NCC(=O)NN)c2ccccc2)c(N)c1 170619401 PYISRLUPCGFXRN-MRXNPFEDSA-N 284.363 1.246 50 50 CDGA O=S(=O)(NCCBr)c1ccc(Cl)nc1 1185698612 QDGPDGWYXSEOFF-UHFFFAOYSA-N 299.577 1.408 50 50 CDGA C[C@H](NNC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1 432776 KTYXGRPFRLHLAW-NHYWBVRUSA-N 299.330 1.545 50 50 CDGA O=C(NN=C1CCCC1)C(=O)Nc1ccc(F)cc1 4011366 RNPMBSHQTLODMV-UHFFFAOYSA-N 263.272 1.810 50 50 CDGA CC(=O)OCC1=C(C)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@H]43)[C@@H]12 254772250 VPXMMTSODBQIDG-IFLCCBJRSA-N 288.299 1.244 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccco1 227724 DHKDGBHLPYVLKK-MDWZMJQESA-N 259.221 1.952 50 50 CDGA CCOc1cccc(/C=N\NC(=O)c2cnccn2)c1O 13942168 ZVGGDAIRVRAWOL-IUXPMGMMSA-N 286.291 1.345 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1cc(B(O)O)ccc1F 169744054 OTIHECCPQBQBFO-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA OB(O)c1ccc(C(F)(F)F)cc1Br 169747950 WMKPVTIMXOLNHA-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)[C@@H](C)Cl)C2 1875377141 AESJYHMDBLQWIC-WOPDTQHZSA-N 288.819 1.714 50 50 CDGA C/C(=N\NC(=O)c1ccccc1O)c1ccncc1 4989884 VLTTUALATYPHNT-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA OB(O)c1cccc(OC(F)(F)F)c1Br 169901949 RIXLLVIGWOPVSW-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA C[C@@H](Cl)C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 1875377824 OPNODQLFYGRTSP-ZJUUUORDSA-N 285.727 1.707 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccn1 246700 ZTWGHFOIOBUKEQ-NTUHNPAUSA-N 276.277 1.815 50 50 CDGA N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@@H]1CCCO1 265686 IDTDUTZKWVLQOU-BCNIOPEESA-N 272.304 1.594 50 50 CDGA CCOC(=O)CNNC(=O)Nc1ccccc1C 1994345 ZEFFAGIWSCSALW-UHFFFAOYSA-N 251.286 1.184 50 50 CDGA O=C(CCl)NCc1ccc(N2CCCC2=O)cc1 1439605 XSHHGYIVPDNUMC-UHFFFAOYSA-N 266.728 1.668 50 50 CDGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 5631079 JWLZVDPJCOMQQO-RRHJKOLHSA-N 292.379 1.529 50 50 CDGA C[C@@H](Cl)C(=O)N(C)CCn1c(=O)oc2ccccc21 1875364929 YHKOGRBOYKONMN-SECBINFHSA-N 282.727 1.680 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1 58549 JAMKVNSBEKQPQS-UHFFFAOYSA-N 254.318 1.905 50 50 CDGA CC1=C(C(N)=O)[C@H](C2CCCCC2)C(C#N)=C(N)O1 90063 HKILWYPIWXPKNE-GFCCVEGCSA-N 261.325 1.666 50 50 CDGA C#CCOCCOCCOCCBr 221363428 UIGSOGCOFXYRNE-UHFFFAOYSA-N 251.120 1.064 50 50 CDGA COc1cc(/C=C(/C#N)C(N)=O)cc(OC)c1OC 12340148 SULXVPFOQLMBGA-WTKPLQERSA-N 262.265 1.105 50 50 CDGA OB(O)c1ccc(Cl)c(OCc2ccccc2)c1F 169934293 IPWQADAZCFOAPG-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA C[C@H](Cl)C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 1875366568 YBGSNKBLZGDPND-JQWIXIFHSA-N 274.792 1.183 50 50 CDGA CC1=C(C#N)[C@@](NC(=O)C2CC2)(C(F)(F)F)C(O)=N1 4127498 BPAVCFHQKIHUDI-JTQLQIEISA-N 273.214 1.581 50 50 CDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 2572282 LOUJOHIMTCRAMR-OQLLNIDSSA-N 287.275 1.377 50 50 CDGA N#CC(C#N)=C(c1ccc(O)cc1)N1CCOCC1 330025 MZNUMOWHZKOSEG-UHFFFAOYSA-N 255.277 1.483 50 50 CDGA C[C@H](Br)C(=O)Nc1cccc(C(N)=O)c1 41707447 XTMBCIRKFIILPZ-LURJTMIESA-N 271.114 1.507 50 50 CDGA CC(=O)C[C@@H]1C[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@@H]34)[C@@H]12 254556771 NSZMLCNSHZITQR-RYUAPSCTSA-N 260.289 1.349 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccnc1 231109 VAYBQAFIXQUNOU-VIZOYTHASA-N 257.249 1.257 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCCO[C@H]1c1nccn1C 1875380707 XFOVUSAVDOQURQ-IVZWLZJFSA-N 271.748 1.384 50 50 CDGA OB(O)c1cc(F)cc(COC2CCCCC2)c1 211657242 BBWDWGDQCXGMJP-UHFFFAOYSA-N 252.094 1.355 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccncc1 381635 FEEHRXXNOWHRFQ-CXUHLZMHSA-N 271.324 1.504 50 50 CDGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccco1 4994101 JKHCODLGWJBVLA-LFIBNONCSA-N 297.318 1.955 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 1875378296 YWJTVTGVFJPNHW-ZJUUUORDSA-N 293.754 1.529 50 50 CDGA N#C[C@H]1N(C(=O)CCl)CCC[C@@]12CCCCO2 1875303431 WWYUJFPCHQWCAQ-PWSUYJOCSA-N 256.733 1.679 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 1875366343 CFYRAUWBDJKJOU-XVKPBYJWSA-N 295.726 1.523 50 50 CDGA COC(=O)c1cc(C=C(C#N)C#N)c(OC)cc1OC 163694 CJLQPITWZYGOIG-UHFFFAOYSA-N 272.260 1.921 50 50 CDGA O=C1C=C(NNC(=O)c2ccncc2)C[C@@H](c2ccco2)C1 441185 ZISIMRXAQIECIF-GFCCVEGCSA-N 297.314 1.940 50 50 CDGA CCCOc1ccc(-c2cn(CC(=O)NN)cn2)cc1 2250646 ZLJRQUCOAQMBGM-UHFFFAOYSA-N 274.324 1.329 50 50 CDGA O=C(N/N=C/c1cccc(O)c1O)C1[C@H]2CCCC[C@H]12 100003650 BRFSDZPVUKJWDB-GZSWPZRASA-N 274.320 1.984 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cnccn2)c1OC 45356 BURIFANWPNGURI-CAOOACKPSA-N 286.291 1.258 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C2CC2)n[nH]1 5687352 NWGKWUTVFRRUIF-OVCLIPMQSA-N 299.290 1.959 50 50 CDGA O=C(CCl)Nc1ccc(Cn2cncn2)cc1 15424317 LMZPWSPEOWYDHK-UHFFFAOYSA-N 250.689 1.504 50 50 CDGA C[C@H](Cl)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 1875366385 GDHLESDAGKHZBZ-ONGXEEELSA-N 298.774 1.070 50 50 CDGA N#C/C(=C\C1CC1)C(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1875366997 GMZJZMQRUXHLHP-FEPLPGBKSA-N 298.342 1.705 50 50 CDGA CCN1CCN(c2ccc(CNC(=O)CCl)cn2)CC1 1319784761 KWUVCJXEEDVOKF-UHFFFAOYSA-N 296.802 1.079 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1F 100151721 CGEBYFDHIARVDQ-AXLKIAQESA-N 290.298 1.178 50 50 CDGA COc1ccc(/C(C#N)=C\N2CCOCC2)c(OC)c1 22064217 OWRGNALTHQWAKC-QXMHVHEDSA-N 274.320 1.900 50 50 CDGA Cc1ccc(C)c(/C=N/NC(=O)CN2CCSCC2)c1 4990672 KDEGPSUYTYMRTK-MHWRWJLKSA-N 291.420 1.802 50 50 CDGA O=C1OCCCN1CC[P@](=O)(Cl)N1CCOC1=O 101010332 NJCRVKARVHTSKK-SFHVURJKSA-N 296.647 1.713 50 50 CDGA O=C(N/N=C/c1ccccc1Cl)c1ccc(O)nn1 237823 GYQBJNCBCXEOAS-VGOFMYFVSA-N 276.683 1.600 50 50 CDGA C[C@H](Cl)C(=O)NCc1cn(-c2ccccc2)nn1 1875364700 QTDUJMOIBRIZBJ-VIFPVBQESA-N 264.716 1.511 50 50 CDGA CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cl)C[C@]1(C)C(F)F 1875368569 AUVGZDQKCNZUFG-LWINAJNOSA-N 297.729 1.907 50 50 CDGA C[C@@H]1[C@H](Cl)[C@@H]1CN1CC(=O)N[C@@H]2CCCC[C@H]21 891850204 OQXJJHCEQGVFMA-KSLZLVKMSA-N 256.777 1.603 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)c1cccs1 63250 UFLWIEYYYVLDOB-UHFFFAOYSA-N 260.318 1.752 50 50 CDGA O=C(N[C@@H]1CCOC1=O)c1ccc(N=C=S)cc1 2026027 WWUPAVIAPDIGCZ-SNVBAGLBSA-N 262.290 1.466 50 50 CDGA OB(O)c1cc(Br)cc(C(F)(F)F)c1 169745587 VBYUDGIATDPECY-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA in-vitro CC(C)(C)c1cc(Br)c(F)c(B(O)O)c1 169934972 KFIDBWNQEIABRB-UHFFFAOYSA-N 274.926 1.566 50 50 CDGA O=C(CCl)N1CCP(=O)(c2ccccc2)CC1 1875368847 SBUMOAYRVWRQIB-UHFFFAOYSA-N 271.684 1.756 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccco2)ccc1O 227787 KGDUCWUPEYQBHQ-RIYZIHGNSA-N 260.249 1.758 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 12416831 LCOXNTUQQVVXOM-LGMDPLHJSA-N 280.287 1.192 50 50 CDGA Cc1occc1C(=O)NNC(=O)c1ccccc1F 2870257 ISDRVUBSKPMAKN-UHFFFAOYSA-N 262.240 1.802 50 50 CDGA CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(N)nc1 864087841 ZFTNPRJQCYUWKB-JYRVWZFOSA-N 288.351 1.502 50 50 CDGA Cc1cc(C[C@@H]2CCC[C@@H]2NC(=O)CCl)n(C)n1 1875366323 ACTXVQCWNHXYSK-JQWIXIFHSA-N 269.776 1.795 50 50 CDGA CC(=O)[C@@H]1C=C[C@H](c2ccccc2)[C@@H]2C(=O)OC(=O)[C@@H]21 221539413 VVSZEDVVBWRLRF-DGAVXFQQSA-N 270.284 1.861 50 50 CDGA CCc1noc([C@@H]2CC[C@@H](NC(=O)CCl)C2)n1 1354195472 YUISFOSWZVOXNH-HTQZYQBOSA-N 257.721 1.623 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](c1nccn1C)C1CCOCC1 1875366486 NZRVKWKZDPMHGI-ONGXEEELSA-N 285.775 1.631 50 50 CDGA COC1(OC)CC(CI)C1 51971839 AGPKIHFLRJRIKP-UHFFFAOYSA-N 256.083 1.821 50 50 CDGA in-vitro OB(O)c1ccc(OCc2cccc(F)c2F)cc1 169924043 IGHRKMDUIARIJF-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro NS(=O)(=O)c1ccc(CBr)cc1 16678725 QNJHTLTUBNXLFS-UHFFFAOYSA-N 250.117 1.229 50 50 CDGA in-vitro Cc1cccc(NC(=O)c2cccc(B(O)O)c2F)c1 169744716 UJECHDNDYBCMON-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA O=C(NNC(=O)C(F)(F)F)OCc1ccccc1 37593783 ORLORBVOVFSZJZ-UHFFFAOYSA-N 262.187 1.506 50 50 CDGA O=C(O)[C@@H]1[C@@H]2C(=O)O[C@H]3[C@@H](Br)[C@H]1C1(CC1)[C@H]32 239231175 VBPDRWSGPODPHD-ZWDHIVPGSA-N 287.109 1.032 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2c(Cl)cccc21 169743857 HUWASNXIUPJIJH-UHFFFAOYSA-N 295.531 1.758 50 50 CDGA in-vitro COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 433008 YHJBAYHMBBMAOT-UHFFFAOYSA-N 286.287 1.476 50 50 CDGA Cc1ccc(C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875350078 ZTLFVXDYICCBCQ-UHFFFAOYSA-N 269.308 1.666 50 50 CDGA O=C(CCl)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1319785509 FHPVHVRSEFPAOT-NSHDSACASA-N 296.754 1.021 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@@H]1OCC[C@H](O)[C@@H]1O 1501018228 KKFGQPZYDWCKRC-DCAQKATOSA-N 262.422 1.519 50 50 CDGA Cc1c(NC(=O)CCl)c(=O)n(-c2ccccc2)n1C 40969 FFEHHJFDJVQCCX-UHFFFAOYSA-N 279.727 1.662 50 50 CDGA Cc1cc2c(c(=O)o1)[C@@H](c1ccco1)C(C#N)=C(N)O2 207749 OJKXNTQVANCZFL-LLVKDONJSA-N 270.244 1.759 50 50 CDGA COCC(=O)NNC(=O)Nc1cc(Cl)ccc1OC 2851793 MGOLPMNNTXYYCA-UHFFFAOYSA-N 287.703 1.148 50 50 CDGA Cc1nnsc1C(=O)NNC(=O)Nc1ccccc1 1406764 NBGUABQPIPJAPA-UHFFFAOYSA-N 277.309 1.313 50 50 CDGA O=C(N/N=C/c1ccccc1)[C@H]1COc2ccccc2O1 291012 PENODHKOHNAVPA-ZXMBATIKSA-N 282.299 1.977 50 50 CDGA O=C(N/N=C/c1ccccc1O)Nc1ccncc1 1398017 UCDUYUHBSRPAQF-OQLLNIDSSA-N 256.265 1.943 50 50 CDGA C[C@]1(CO)Cc2ccccc2N(C(=O)CCl)C1 1875377900 QMWQHAOWEYVKSG-ZDUSSCGKSA-N 253.729 1.813 50 50 CDGA C[C@@H](Cc1ccccc1)NC1=C(C#N)CCCNC1=O 27569835 JHCOTHWETKZXSU-LBPRGKRZSA-N 269.348 1.895 50 50 CDGA COc1cc(/C=N\NC(=O)c2cccnc2)ccc1O 39945538 VYXBDHYGMAUSCC-PXNMLYILSA-N 271.276 1.560 50 50 CDGA CCOc1ccc(/C=N/NC(=O)c2ccn[nH]2)cc1 362286 XAOHHRRXELOWTP-OQLLNIDSSA-N 258.281 1.572 50 50 CDGA O=C(Cl)[C@H](Br)CBr 2242603 HWKWYDXHMQQDQJ-UWTATZPHSA-N 250.317 1.910 50 50 CDGA in-vitro C[C@H](Cl)C(=O)NCc1cc2ccccc2n(C)c1=O 1875375746 HHDBXNDQORSYPG-VIFPVBQESA-N 278.739 1.782 50 50 CDGA CNC(=S)NNC(=O)c1ccc(Cl)cc1Cl 122498 CTMFVCZCHPSVBI-UHFFFAOYSA-N 278.164 1.732 50 50 CDGA COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 257354 LSZGMPAKWTZHKG-QAEAHILHSA-N 284.315 1.879 50 50 CDGA O=C(CCl)N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875367488 HSIOYYDBYWGUQF-CAHLUQPWSA-N 281.665 1.725 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2ncn(C)c(=O)c2c1 1875377622 IZXLIRVVUNCZDP-SSDOTTSWSA-N 265.700 1.499 50 50 CDGA CCC(=O)N/N=C(C)/C(=N/O)C(=O)Nc1ccccc1C 953082413 XMVNEPURTZHGTN-FHKCCDTASA-N 290.323 1.666 50 50 CDGA CN(C)/C=N/C(=O)/C(C#N)=C1\CCc2ccccc2N1 18067442 MZZQUNCFOIWVPC-BSHSYZMPSA-N 268.320 1.939 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1cccc(F)c1B(O)O 169955267 DCVKLQRUOVMPRL-UHFFFAOYSA-N 270.185 1.890 50 50 CDGA Cc1ccc(OCC(=O)N/N=C\c2cccnc2)cc1 32565765 CGENKYGCBPDXSD-YVLHZVERSA-N 269.304 1.919 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]1c1nc(N(C)C)no1 1875377433 DLYRHIWFVKRRLI-JGVFFNPUSA-N 272.736 1.426 50 50 CDGA C[C@@H](Cl)C(=O)NCc1conc1C(F)(F)F 1875367590 SLWFCKDVRHDHIK-SCSAIBSYSA-N 256.611 1.937 50 50 CDGA O=[P@]1(N(CCCl)CCCl)N[C@@H](OO)CCO1 100097741 VPAWVRUHMJVRHU-HYORBCNSSA-N 293.087 1.700 50 50 CDGA in-man Cc1ccc(/C=N/NC(=O)c2snnc2C)cc1 5793952 AGDWXRARBQFIKG-NTUHNPAUSA-N 260.322 1.919 50 50 CDGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)c1cccnc1 5730762 SQXMIVQIAYASSL-AQTBWJFISA-N 294.314 1.501 50 50 CDGA Cc1cccc(OCC(=O)NNC(=O)C2CC2)c1C 14648804 YHZVNPYPMNZUMD-UHFFFAOYSA-N 262.309 1.240 50 50 CDGA OB(O)c1ccc(Cl)c(OCc2ccccc2)c1 169844707 ZTFFXVLPGHNNKQ-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA O=C(CCl)NC[C@H]1CCS(=O)(=O)c2ccccc21 1875366892 USTMWFMFULBPGI-SECBINFHSA-N 287.768 1.303 50 50 CDGA O=C(COc1ccc(Cl)cc1)NNC(=O)C1CC1 512407 MGDLHIFZEKKWKL-UHFFFAOYSA-N 268.700 1.276 50 50 CDGA O=C1N(CCBr)c2ncccc2C12CC2 306145886 UTDSTGUAJMMWTF-UHFFFAOYSA-N 267.126 1.855 50 50 CDGA C[C@@H](Cl)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 1875364491 SNOGNAANIJPFCI-HTQZYQBOSA-N 267.778 1.038 50 50 CDGA O=C(CCl)N1CCN(c2nc3ccccc3o2)CC1 1875364880 XCNMUSFWCAGIPD-UHFFFAOYSA-N 279.727 1.715 50 50 CDGA CC1(C)[C@]2(C#N)C(=N)O[C@@]1(C)NC(Cl)=C2C#N 144196856 JSMOUHGDHOYZKE-MNOVXSKESA-N 250.689 1.823 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]2(CCCO2)[C@]12CCCO2 257357709 PMWXIFKDHCXLAT-KXOBMIPESA-N 290.315 1.216 50 50 CDGA CC(C)(N)CC(=O)NC[C@@]1(C)C[C@@H]1Br 857007506 MZWHCBYKNCLBLW-OIBJUYFYSA-N 263.179 1.404 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cc2ccccc2n(C)c1=O 1875375745 HHDBXNDQORSYPG-SECBINFHSA-N 278.739 1.782 50 50 CDGA CC(C)S(=O)(=O)C1CCN(C(=O)[C@H](C)Cl)CC1 1875378211 XLQWMRAVVLDQMA-VIFPVBQESA-N 281.805 1.428 50 50 CDGA NNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 106341 YQMYAOCZQUKNRE-UHFFFAOYSA-N 294.314 1.053 50 50 CDGA CO[C@@H](C(=O)NNC(=O)c1cccs1)c1ccccc1 4833052 FNJPEBLFMMLOKI-GFCCVEGCSA-N 290.344 1.897 50 50 CDGA C[C@@H](Cl)C(=O)N1CCc2cc(Cl)nnc2C1 1875303946 SWPVOMYKKVGHOT-ZCFIWIBFSA-N 260.124 1.642 50 50 CDGA COc1ccc(C(=O)NNC(=O)Cc2cccs2)cc1 195333 AHUBAXQFLXMEQQ-UHFFFAOYSA-N 290.344 1.760 50 50 CDGA CC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 4671749 JQSSXNAUMXMBPA-UHFFFAOYSA-N 297.742 1.534 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2)c(C)c1 169743945 ZVBRLWSDAGYMQQ-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro O=C(N/N=C/c1ccco1)c1n[nH]c2c1CCCC2 4312213 CYXUUKRWLUFZPB-RIYZIHGNSA-N 258.281 1.645 50 50 CDGA C/C(=N/NC(=O)c1ccco1)c1ccc(O)cc1O 16989964 PLIOYYRNVQUDIU-ZSOIEALJSA-N 260.249 1.845 50 50 CDGA Cc1cccc(NC(=O)c2ccc(B(O)O)cc2Cl)c1 169744102 OPKMMWZTZNPVMQ-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA CC[C@H]1CN(C(=O)CCl)C[C@@]2(CCCOC2)O1 1875377522 GJPCEWHDOCVGJV-CMPLNLGQSA-N 261.749 1.412 50 50 CDGA O=C(CCl)N(Cc1ccccc1)C[C@@]1(O)CCOC1 309794031 XFCMUNJXWQETBV-AWEZNQCLSA-N 283.755 1.405 50 50 CDGA Cc1nc2cc(B(O)O)c(F)cc2n1C1CCCCC1 170002038 FETOXVAVOYRZPU-UHFFFAOYSA-N 276.120 1.669 50 50 CDGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 372263 PLYDPSBFHBWKOI-AWEZNQCLSA-N 298.346 1.852 50 50 CDGA O=C(CBr)c1ccc2oc(=O)[nH]c2c1 196034584 IZDIYPMQPYXDNU-UHFFFAOYSA-N 256.055 1.699 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccccn2)ccc1O 227929 SFBZADSOQVAAOR-CXUHLZMHSA-N 271.276 1.560 50 50 CDGA CN(C)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 381193 QNHRWMGBUXJJHX-LFIBNONCSA-N 291.351 1.356 50 50 CDGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(O)cc1 12362386 ZESMBFJHHBKYGQ-LFIBNONCSA-N 271.320 1.814 50 50 CDGA O=C(CCl)N1CCS(=O)(=O)C[C@@H]1c1ccccc1 1857785066 JOKSSXWIHKGINJ-LLVKDONJSA-N 287.768 1.224 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 1875380022 CHAYJTXCNNJZGI-KQXIARHKSA-N 275.776 1.392 50 50 CDGA C[C@H](O)CC(=O)NNC(=S)N[C@@H](C)c1ccccc1 2853053 FQQJDKFLCAMNTP-UWVGGRQHSA-N 281.381 1.014 50 50 CDGA Cc1cccc(NC(=O)c2ccc(B(O)O)cc2)c1C 169745697 XMQJSFXFADVYRR-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O 247747 AFDVLSIRUVYOAF-NTUHNPAUSA-N 275.220 1.657 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](Cn1cncn1)c1ccccc1 1875363600 LOWSSQIIIADCMD-CMPLNLGQSA-N 278.743 1.763 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 1875378133 WEHMZZNTKUQUCR-KOLCDFICSA-N 283.759 1.611 50 50 CDGA CN(C)c1noc(C2CCN(C(=O)CCl)CC2)n1 1875367632 YMCBIKNIJJATTI-UHFFFAOYSA-N 272.736 1.080 50 50 CDGA O=C(CCl)N[C@H](Cc1ccccc1)C(=O)NC1CC1 1875364043 HPLVVURRUODBLK-GFCCVEGCSA-N 280.755 1.231 50 50 CDGA Cc1ccc([C@H](CN(C)C)NC(=O)CCl)cc1 1875367875 VLKACEDIVOKNKS-LBPRGKRZSA-N 254.761 1.953 50 50 CDGA NNC(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494734 BIWDSKONRIXMDF-UHFFFAOYSA-N 289.591 1.836 50 50 CDGA COc1cccc(C(=O)N/N=C/c2ccncc2)c1 299138 WLCVTYWMPLUKFB-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA COC(=O)c1cc(NC(=O)[C@H](C)Cl)cc(C(=O)OC)c1 19737267 YGPCOBCATAOLDP-ZETCQYMHSA-N 299.710 1.826 50 50 CDGA CCCCOc1cc(B(O)O)cc(Cl)c1OC(C)C 169964656 WYLGFMBTFBBDOZ-UHFFFAOYSA-N 286.564 1.986 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2ccc(O)cc2)C1 4576278 UWEOZMIFTSGHRY-UHFFFAOYSA-N 274.320 1.900 50 50 CDGA CC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 6189681 QEHXURSBWBHMJA-UHFFFAOYSA-N 277.324 1.189 50 50 CDGA C=CCNC(=S)NNC(=O)c1ccc(OC(C)C)cc1 8680970 JFYBHPBGAMLXFO-UHFFFAOYSA-N 293.392 1.769 50 50 CDGA CC/C(=N\NC(=O)C1CC1)c1ccc2c(c1)CC(=O)N2C 222114817 MGXBXSKBSJFMBN-GHRIWEEISA-N 285.347 1.846 50 50 CDGA OB(O)c1ccc(Br)c(C(F)(F)F)c1 169807599 CXINPDKNNNIGAH-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA in-vitro OB(O)c1ccccc1OCc1c(F)cccc1F 228774329 BVBAURUYYRWPIU-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA COC(=O)c1ccccc1NC(=O)CBr 5742964 BTRCQDXXRNYMAS-UHFFFAOYSA-N 272.098 1.807 50 50 CDGA CNC(=S)NNC(=O)Nc1cccc(C(F)(F)F)c1 4829000 CDEVKBDXJHWIIC-UHFFFAOYSA-N 292.286 1.836 50 50 CDGA CCOC(=O)/C(C#N)=C\c1[nH]c(C(=O)O)c(C)c1C 33679292 MJIOGQPUBYNXJA-UITAMQMPSA-N 262.265 1.800 50 50 CDGA CC1CCN(C(=O)CCC(=O)O/N=C(\N)CCl)CC1 34926231 WKGWYDXVZNKCJG-UHFFFAOYSA-N 289.763 1.079 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)C12CCOCC2 1875377799 NVRGIESPPIKNPF-GARJFASQSA-N 275.776 1.704 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccs1 8931936 XQHXUFTWMPGRPV-MRVPVSSYSA-N 272.289 1.050 50 50 CDGA CNC(=O)CN1CCc2ccc(NC(=O)[C@H](F)Cl)cc21 2325898774 ZVQWOCZTUUGPDV-LBPRGKRZSA-N 299.733 1.268 50 50 CDGA Cc1ccccc1OCC(=O)NNC(=O)C(F)(F)F 1801257 JWKGBCWUJWIYKE-UHFFFAOYSA-N 276.214 1.084 50 50 CDGA O=C(F)[C@]1(C(F)(F)F)OC(=O)[C@@](F)(C(F)(F)F)O1 100040878 NVLMRLQANVCTOG-IMJSIDKUSA-N 288.046 1.543 50 50 CDGA Cc1cc(OCc2cccc(Cl)c2)ccc1B(O)O 216050783 IQTKJCBCYXDWHU-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA OB(O)c1c(F)ccc(OCc2ccccc2)c1Cl 169747983 LXIZYHYNGUDZKO-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA in-vitro C[C@H](Cl)C(=O)NCc1cccc(N2CCOCC2)n1 1875366541 UXJGCOWYKUPZKI-JTQLQIEISA-N 283.759 1.162 50 50 CDGA N#C/C(=C/c1ccc(I)o1)C(=O)O 5716221 IIBXZDDZMCZHCW-HYXAFXHYSA-N 289.028 1.876 50 50 CDGA O=S(=O)(Cc1noc(CCl)n1)c1ccccn1 160913 MFEGTJBBLPXXDT-UHFFFAOYSA-N 273.701 1.177 50 50 CDGA CN(C)C=C(C(=O)Br)C(=O)Br 100698145 BIFDANDQPMTHOW-UHFFFAOYSA-N 284.935 1.275 50 50 CDGA COCCc1ccc(OCc2ccc(B(O)O)cc2)cc1 169877268 LZLHTPXZVHZUQB-UHFFFAOYSA-N 286.136 1.134 50 50 CDGA in-vitro CS(=O)(=O)c1ccc(C(=O)CBr)cc1 153498 JOCMYOUZIDSYFO-UHFFFAOYSA-N 277.139 1.668 50 50 CDGA in-vitro C[C@@H](Cl)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 1875366462 LNAJBVITHDJLGY-IYSWYEEDSA-N 269.654 1.767 50 50 CDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccco1 4327078 KQTRZCFFCWPYJE-RQZCQDPDSA-N 285.303 1.468 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)C1[C@@H]2CCCC[C@@H]12 100300275 YSLAVDGJVHQUCM-VIWCAORXSA-N 274.320 1.984 50 50 CDGA COc1ccc(C(=O)N/N=C/c2ccncc2)cc1 243835 NCCGSPXEETWRMJ-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA C[C@H](Cl)C(=O)NCC(C)(C)C(=O)N1CCCC1 1875366793 AMYWPEUDYVEHNZ-VIFPVBQESA-N 260.765 1.379 50 50 CDGA Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2ncnc(O)c21 8783424 QIEOLQKZXJIYRY-NSHDSACASA-N 280.287 1.709 50 50 CDGA CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCl 39284912 KVXZUPKFUDIZGN-NSHDSACASA-N 269.728 1.516 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1 297683 GJRUGAROKNDLDX-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1875380521 RLQWDFPRCLUOSO-GZMMTYOYSA-N 287.768 1.400 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(F)cc21 169745057 GARRUKBUEWVRCV-UHFFFAOYSA-N 279.076 1.243 50 50 CDGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N1CCCC1 2892318 WTUWXBFOECIUPZ-OQLLNIDSSA-N 279.727 1.413 50 50 CDGA O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1F 2898204 PUONFUKPIHASME-CAOOACKPSA-N 289.266 1.185 50 50 CDGA C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(Cl)c1 169744461 UIWKNFJVKYSRCH-SECBINFHSA-N 281.548 1.034 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1 299645 IOLLCLAHPGAEEZ-UHFFFAOYSA-N 288.278 1.909 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccccn2)c1O 227856 UXQJAGOTBSVQHB-CXUHLZMHSA-N 271.276 1.560 50 50 CDGA C/C(=N\NC(=O)c1cnccn1)c1ccc(F)cc1 19835439 HOKZDFPPWXGMOL-RQZCQDPDSA-N 258.256 1.770 50 50 CDGA COC[C@]1(CNC(=O)[C@@H](C)Cl)OCCc2ccccc21 1875376107 MPAXDRIWRWOPSP-ABAIWWIYSA-N 297.782 1.845 50 50 CDGA O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1 255849 QPANAFUOHONDFB-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccco1 2239528 FLYVPFMSLHBMEP-CAOOACKPSA-N 289.266 1.299 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1875377923 RJSPNPHTLJVVMH-MRVPVSSYSA-N 266.728 1.881 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccco1 381627 IQYLENRKQDIKRF-RIYZIHGNSA-N 260.297 1.702 50 50 CDGA NNC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 8973583 QHESSDWGWVTVRQ-UHFFFAOYSA-N 287.142 1.504 50 50 CDGA CCOC(=O)c1cn2c(n1)CC[C@H](Br)C2 43277629 HHUGAKXDINFJJB-ZETCQYMHSA-N 273.130 1.770 50 50 CDGA C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1Cl 169744427 FWAPMCYSTDCXBR-VIFPVBQESA-N 281.548 1.034 50 50 CDGA CN1C[C@@H](CO)O/C1=C(C#N)/C=C1/Nc2ccccc2C1=O 205627201 MIHHJPNELHZNIQ-HVYQILROSA-N 297.314 1.237 50 50 CDGA CNC(=S)NNC(=O)c1ccccc1Br 8682923 CIDIHZMCTVYKSO-UHFFFAOYSA-N 288.170 1.188 50 50 CDGA CN(CC(=O)NCc1ccccc1)C(=O)CCl 258947537 LHASHIJOTIRARV-UHFFFAOYSA-N 254.717 1.000 50 50 CDGA COC(=O)N/N=C(\C)c1ccc2c(c1)CCC(=O)N2 222098655 WLMBQYGKTRRARM-OVCLIPMQSA-N 261.281 1.651 50 50 CDGA O=C(N/N=C/c1cccs1)c1ccc(O)cc1O 436765 MVRWXKTXXAHGJN-NTUHNPAUSA-N 262.290 1.923 50 50 CDGA C[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 115395 HISMJRIIQSDFJO-ZETCQYMHSA-N 254.245 1.983 50 50 CDGA CC(C)C[C@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1 100237571 JLYJVSOKGRWLFG-NSHDSACASA-N 252.270 1.874 50 50 CDGA CC(C)(C)SCC(=O)NNC(=O)CC(F)(F)F 521402319 YJRGAJOFIFXLOU-UHFFFAOYSA-N 272.292 1.618 50 50 CDGA O=C(O)c1ccc2c3c(ccc(C(=O)O)c13)C(=O)OC2=O 98045663 YQXRNSHBINARCY-UHFFFAOYSA-N 286.195 1.547 50 50 CDGA in-vitro OB(O)c1ccccc1OCc1cccc(C(F)(F)F)c1 197900493 HWAZCPFSCLSHPR-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@@H](C)Cl 585115136 NWHSFQGTKQGXGW-RCOVLWMOSA-N 280.777 1.727 50 50 CDGA O=C(COc1ccccc1)N/N=C/c1ccccc1O 261265 OEXOEIWRQZZWQW-MHWRWJLKSA-N 270.288 1.921 50 50 CDGA O=C(CCl)N1CCOc2cc([N+](=O)[O-])ccc21 95644357 IQVWEUCVJPLEIF-UHFFFAOYSA-N 256.645 1.559 50 50 CDGA C=CCNC(=O)C/C(C)=N/NC(=O)c1ccoc1C 5034903 DELZDGQMYLAEGA-OQLLNIDSSA-N 263.297 1.386 50 50 CDGA OB(O)c1cccc(Cl)c1OCc1ccccc1 169746232 WRDFNKULHBAPKO-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2cccnc2)cc1 139424 OHQUVBAUMUZJBP-UHFFFAOYSA-N 255.277 1.465 50 50 CDGA Cc1nccn1CC(=O)NN=Cc1c[nH]c2ccccc12 252677970 BXIGELWZZXNISZ-UHFFFAOYSA-N 281.319 1.823 50 50 CDGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CCl)cc1 950733947 LNBGMCSMMHWQFN-WDEREUQCSA-N 266.728 1.485 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)c1ccccc1 1512086 UDESYCAVTRAXFY-UHFFFAOYSA-N 265.272 1.773 50 50 CDGA C[C@H](Cl)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1875377346 CILCJWKPGYAAEZ-VIFPVBQESA-N 264.712 1.775 50 50 CDGA C[C@H](Cl)C(=O)NC1CCN(Cc2cscn2)CC1 1875364017 HNZMJLBZFXDUJA-VIFPVBQESA-N 287.816 1.851 50 50 CDGA COc1ccccc1C(=O)NNC(=O)c1ccccc1F 290219 KSEWVNUTKZLBHA-UHFFFAOYSA-N 288.278 1.909 50 50 CDGA C[C@@H](O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2894584 QNWLTFBACLNEHB-TVNQGELYSA-N 265.269 1.206 50 50 CDGA CC(C)(C)OC(=O)N1CC[C@@H](Br)C1=O 242548016 KYXFVRONPLZWTK-ZCFIWIBFSA-N 264.119 1.917 50 50 CDGA COCCNC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1875390638 HSHXELDKDNTRCZ-GVYWTYNWSA-N 265.357 1.744 50 50 CDGA Cc1nn(C)c(C(=O)N/N=C/c2cccnc2)c1Cl 355753 GLMJHRXVQBXCEO-VIZOYTHASA-N 277.715 1.541 50 50 CDGA CC1CCN(/C(N)=C(\C#N)C(=O)NCc2ccccc2)CC1 221914529 RCUDPGDTUCOBMT-FOCLMDBBSA-N 298.390 1.729 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccncc1OC[C@H]1CCOC1 1875377833 OWTQIPIPOORJJW-MNOVXSKESA-N 298.770 1.740 50 50 CDGA CC(=O)n1c(=O)oc2cc(C(=O)CCl)ccc21 1775975750 FNAYOVGBWXIJCV-UHFFFAOYSA-N 253.641 1.676 50 50 CDGA C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCl 2519705 KZIFNMASMYHZNV-SSDOTTSWSA-N 250.726 1.255 50 50 CDGA CC(=O)c1ccc(NC(=O)NNC(=O)c2ccncc2)cc1 2853503 ISBLYEPGQBDZRE-UHFFFAOYSA-N 298.302 1.751 50 50 CDGA OB(O)c1cc2ncn(C3CCCCC3)c2c(F)c1F 170002025 BPERGKYLPINZIC-UHFFFAOYSA-N 280.083 1.500 50 50 CDGA c1ccc(P(c2ccccn2)c2ccccn2)nc1 114231447 LDSMXGPRCFQXSK-UHFFFAOYSA-N 265.256 1.630 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccnc(Cn2cccn2)c1 1875366944 BBVDZXPWLWOIKG-SECBINFHSA-N 264.716 1.892 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2c1CCCC2 186403 ROAXDUXKRQVSST-CXUHLZMHSA-N 284.319 1.758 50 50 CDGA O=C(CCl)Nc1ccc(N2C(=O)CCCC2=O)cc1 1253963012 ILPBXUFEOQCQSI-UHFFFAOYSA-N 280.711 1.907 50 50 CDGA C[C@H](Cl)C(=O)N1CCc2cc(Cl)nnc2C1 1875303945 SWPVOMYKKVGHOT-LURJTMIESA-N 260.124 1.642 50 50 CDGA CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Br)C1=O 100168866 ZWMOSQYRIUMWSQ-SSDOTTSWSA-N 292.129 1.486 50 50 CDGA OB(O)c1cccc(COc2ccccc2Cl)c1 169926315 BQZSATLDHKVMHT-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(O)cc1 4567495 GJHWJVALJUDHRO-CXUHLZMHSA-N 284.319 1.758 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1875366972 YSGDPPZTYZZSPU-IEBDPFPHSA-N 296.758 1.410 50 50 CDGA O=C1C[C@H](NCCCl)C(=O)N1Cc1ccccc1 138994802 ABTPOTUWHMQVEX-NSHDSACASA-N 266.728 1.143 50 50 CDGA CCOC(=O)CN(C)C(=O)C1CCC(Cl)CC1 1119555273 IDXHTHVEWUFRKY-UHFFFAOYSA-N 261.749 1.806 50 50 CDGA CCn1cc([C@H]2CN(C(=O)[C@@H](C)Cl)CCO2)cn1 1875380206 IMIVUBPQABOVDA-MWLCHTKSSA-N 271.748 1.430 50 50 CDGA NS(=O)(=O)c1ccc2cc(NC(=O)CCl)ccc2c1 2325890219 KBGBGRJVSOMADW-UHFFFAOYSA-N 298.751 1.665 50 50 CDGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccnc1 38809 RERQDENPVRSMPR-CQSZACIVSA-N 264.288 1.882 50 50 CDGA O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 121942 NRILHXUEHSTWTI-UHFFFAOYSA-N 275.220 1.263 50 50 CDGA NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 2389247 QHPOWUMRPBEPNV-UHFFFAOYSA-N 264.288 1.900 50 50 CDGA N#CCC(=O)NNC(=S)Nc1ccc(F)cc1F 2857680 XSTPVGLLNKNYOR-UHFFFAOYSA-N 270.264 1.196 50 50 CDGA O=S(=O)(NC[C@H]1CCCO1)c1ccc(N=C=S)cc1 19737328 CGCDDAVLIRTESD-LLVKDONJSA-N 298.389 1.878 50 50 CDGA O=C(CCl)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 1875375119 RMFHJMPUTQOUAY-SNVBAGLBSA-N 273.764 1.022 50 50 CDGA CCCCCCCC(=O)N/N=C(\C)CN1C(=O)CCC1=O 100321210 LBOPBTIJLIARDL-FOWTUZBSSA-N 295.383 1.988 50 50 CDGA Cc1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C 169746257 ZJNLBPIVJPNKSK-UHFFFAOYSA-N 275.113 1.413 50 50 CDGA in-vitro COC(=O)[C@@H](CBr)NC(=O)OC(C)(C)C 16697134 ODLDPRMMKCMNMD-ZCFIWIBFSA-N 282.134 1.448 50 50 CDGA in-vitro C[C@@H](Cl)C(=O)NCc1nnc2n1-c1ccccc1CC2 1875364910 XYWPJEZBRIYUCF-SECBINFHSA-N 290.754 1.609 50 50 CDGA O=C(CCCCCl)NNC(=O)c1ccc(F)cc1 252507888 WVYKHBKWSXVGMP-UHFFFAOYSA-N 272.707 1.996 50 50 CDGA OB(O)c1cccc2cccc(Br)c12 199686725 YPPQXIRIFYYANY-UHFFFAOYSA-N 250.888 1.282 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(O)cc1O 5731666 SOYFAEPQECZPIB-UHFFFAOYSA-N 297.270 1.184 50 50 CDGA COC(=O)C1(N(C(=O)[C@@H](C)Cl)C2CC2)CCC1 1875377985 SSLARKSHFQLYSL-MRVPVSSYSA-N 259.733 1.700 50 50 CDGA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCl 10021469 WXAFKBZLGNLNJT-SNVBAGLBSA-N 255.701 1.126 50 50 CDGA COC(=O)Nc1cc(CI)on1 39626170 GTKANIRNZKSMRK-UHFFFAOYSA-N 282.037 1.788 50 50 CDGA CCC(=O)NNC(=O)CSc1ccc2ccccc2n1 1956289 FKOHPJSBBHRCLX-UHFFFAOYSA-N 289.360 1.884 50 50 CDGA C[C@@H](NNC(=O)c1cccnc1)[C@H]1COc2ccccc2O1 2921214 KTYXGRPFRLHLAW-IAQYHMDHSA-N 299.330 1.545 50 50 CDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@@H]2C1 4452971 LKMRYQWWCVEQNG-GWCFXTLKSA-N 267.336 1.284 50 50 CDGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 8783423 PCOJTWPVDWTCTO-NSHDSACASA-N 280.287 1.297 50 50 CDGA CCCCC(=O)NNC(=O)COc1ccc(F)cc1 225489591 ZUFNCWPIXAGKMT-UHFFFAOYSA-N 268.288 1.542 50 50 CDGA OB(O)c1ccc(OC(F)(F)F)cc1OCCCF 230545106 LASZZVXQTQBUID-UHFFFAOYSA-N 281.998 1.003 50 50 CDGA C[C@@H](Cl)C(=O)N1CC[C@@H](NC(=O)CC(F)(F)F)C1 1875378272 YMMMMFZVYNVUTC-RNFRBKRXSA-N 286.681 1.283 50 50 CDGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc([N+](=O)[O-])cc1 229506 CQZAXEOMXHQQTE-OQLLNIDSSA-N 287.279 1.780 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccnc1 43692 VHDYCYWIIFERPA-ZDUSSCGKSA-N 285.303 1.726 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2cccs2)c1O 199695 UABIXYFPRSMLCV-UHFFFAOYSA-N 276.317 1.837 50 50 CDGA NNC(=O)CNc1ncc(C(F)(F)F)cc1Cl 20218707 CRVANXHJWKAGIZ-UHFFFAOYSA-N 268.626 1.156 50 50 CDGA O=C(CSc1ncccn1)N/N=C/c1ccc(O)cc1 233707 LEKVHXQAJRENEP-LZYBPNLTSA-N 288.332 1.425 50 50 CDGA O=C(CCl)N[C@H]1CCN(C(=O)C2CCCCC2)C1 1875364255 LVODABIOWPQFBP-NSHDSACASA-N 272.776 1.523 50 50 CDGA CC(C)=C(C)CC(=O)NNc1nnc(C)c(O)n1 895558992 YDLJCTABEKLQJY-UHFFFAOYSA-N 251.290 1.075 50 50 CDGA O=C1CC(CC(=O)N/N=C/c2c(F)cccc2Cl)=NN1 102302379 OGEJIAZNKDUUEG-GIDUJCDVSA-N 296.689 1.195 50 50 CDGA BrCCn1cnc(Br)n1 238853900 LQCUOJBBLKYAPD-UHFFFAOYSA-N 254.913 1.436 50 50 CDGA OB(O)c1cc(OCC(F)(F)F)cc(C(F)(F)F)c1 230543153 JZKSRPOAFLMVKF-UHFFFAOYSA-N 287.952 1.326 50 50 CDGA CC(C)(O)C(C)(C)OB(O)CI 196458079 AMTWQDRXNWJBQI-UHFFFAOYSA-N 285.918 1.007 50 50 CDGA in-vitro COC(=O)C[C@H](NC(=O)CCl)c1ccnc(Cl)c1 1616032560 FZVIYZADSLKTGC-QMMMGPOBSA-N 291.134 1.694 50 50 CDGA CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccco1 483918 QKFJKQATYZKZAQ-LLVKDONJSA-N 274.276 1.924 50 50 CDGA C=CCNC(=S)NNC(=O)/C=C/c1ccccc1C 169981679 RECYVISTZDQFPV-CMDGGOBGSA-N 275.377 1.690 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1cccnc1 227673 GHRIBYXAIFMVFK-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA CCc1ccccc1NC(=O)c1cc(F)cc(B(O)O)c1 169744238 DICPWLNONKRBIQ-UHFFFAOYSA-N 287.099 1.320 50 50 CDGA C[C@H](Cl)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 1875363556 JJQPMKXHNHDYAD-CMPLNLGQSA-N 280.755 1.704 50 50 CDGA CCn1cc([C@@H]2CN(C(=O)[C@H](C)Cl)CCO2)cn1 1875380207 IMIVUBPQABOVDA-ONGXEEELSA-N 271.748 1.430 50 50 CDGA O=C(CCl)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 1875378315 ZKUKEAWIYMCQBM-UONOGXRCSA-N 296.798 1.224 50 50 CDGA N#CC1=C(N)O[C@H](C(Cl)(Cl)Cl)C1(C#N)C#N 107825 MFUNLHIYTKWUNU-LURJTMIESA-N 277.498 1.483 50 50 CDGA Cc1cccc(C(=O)Nc2cccc(C(=O)NN)c2)c1 34925083 CVWOGFBYRMAIQV-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA OB(O)c1ccc(OCc2ccc(F)cc2Cl)cc1 169922469 KEFWTNCBALFSDI-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA in-vitro O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1 437519 MLHMJTNYCDGHND-MHWRWJLKSA-N 299.286 1.993 50 50 CDGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccnc1 16044942 GJGGKHPOYMJHMF-UHFFFAOYSA-N 280.287 1.476 50 50 CDGA C[C@@H](Cl)C(=O)NC1CCN(Cc2cscn2)CC1 1875364016 HNZMJLBZFXDUJA-SECBINFHSA-N 287.816 1.851 50 50 CDGA C[C@@H](Cl)C(=O)N(C)Cc1cnc(N(C)C)nc1 1875366477 NHCQNAOTWYWJCO-MRVPVSSYSA-N 256.737 1.128 50 50 CDGA O=C(CCl)N1CCO[C@@H](c2cccc(F)c2)C1 1319682725 QUBXKTADQLVBGS-LLVKDONJSA-N 257.692 1.964 50 50 CDGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccccc1 2571828 WTLPPABBYJNCHB-NTEUORMPSA-N 257.249 1.368 50 50 CDGA C[C@H](Br)CS(=O)(=O)C(F)(F)F 3075427 BUVKCLPACTYUQJ-VKHMYHEASA-N 255.055 1.704 50 50 CDGA O=C(Cl)[C@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc12 6862974 XBQYXPYABMCADZ-MRVPVSSYSA-N 296.670 1.865 50 50 CDGA OB(O)c1ccccc1-c1noc(Cc2ccccc2)n1 170002296 KVKQHTAQTGRFNR-UHFFFAOYSA-N 280.092 1.007 50 50 CDGA OB(O)c1ccc(C(F)(F)F)c(OCc2ccccc2)c1 169955369 HGYGXHGBCASPGE-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA COC(=O)C[C@@H](NC(=O)CCl)c1cccc(C)c1 1335467559 XUKJLJBWBOWJCT-LLVKDONJSA-N 269.728 1.954 50 50 CDGA CCCCOc1cc(OC(F)(F)F)cc(B(O)O)c1 169934186 LJAITWONDCKJGB-UHFFFAOYSA-N 278.035 1.444 50 50 CDGA in-vitro Cc1nnc(C[C@@H]2CC[C@H](NC(=O)CCl)C2)o1 1875367599 UHGZAFXVQXQQGL-BDAKNGLRSA-N 257.721 1.444 50 50 CDGA C[C@H](Cl)C(=O)Nc1cccc2c1CN(C)C2=O 1859535940 FKJQSEABGDDSIK-ZETCQYMHSA-N 252.701 1.838 50 50 CDGA O=C(NNC(=O)c1ccccc1O)c1ccccc1 1759775 YPAUORLPKIMOLZ-UHFFFAOYSA-N 256.261 1.467 50 50 CDGA CC(C)[C@@H](NC(=O)[C@H](C)Cl)C(=O)N1CCCCC1 1875376327 SNNDNPOGMOVBCA-WDEREUQCSA-N 274.792 1.767 50 50 CDGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1 253452 JHVADQUYMNAVRC-NTEUORMPSA-N 273.248 1.881 50 50 CDGA COc1cccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c12 169745075 JYRDIGLHLIDRNE-UHFFFAOYSA-N 291.112 1.113 50 50 CDGA in-vitro CC(C)(C)OC(=O)N1CC[C@H](Br)[C@@H](O)C1 2539842 KIWHIAGYBKVHMO-YUMQZZPRSA-N 280.162 1.752 50 50 CDGA Cn1cnc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1 585079752 GRADRODNHJZMAQ-NTEUORMPSA-N 280.331 1.686 50 50 CDGA COc1ccc(CC(=O)NNC(=O)c2cccs2)cc1 55640 GIJYDUHUFAYRDC-UHFFFAOYSA-N 290.344 1.760 50 50 CDGA COc1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1 273384 BEDYAHSHDZRATA-NSHDSACASA-N 274.320 1.813 50 50 CDGA O[C@H]1C[C@@H]2CCC[C@@H](I)[C@@H]2O1 43763204 SVGVWJUGYOXDOV-LXGUWJNJSA-N 268.094 1.697 50 50 CDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc[nH]1 431531 ICVODBYMYNZLJU-OVCLIPMQSA-N 288.263 1.452 50 50 CDGA Cc1ccc(OCc2ccccc2F)c(B(O)O)c1 169922544 QZJJXNYJXSFEGS-UHFFFAOYSA-N 260.073 1.393 50 50 CDGA COCc1nc([C@H]2CCCCCN2C(=O)CCl)no1 1875378146 WJMGLGDQJHXJME-SECBINFHSA-N 287.747 1.899 50 50 CDGA OB(O)c1cc(Cl)cc(OCc2ccccc2)c1 169934077 SWIWCFVJNUUJOG-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)c(O)c1)c1ccncc1 237978 FDFDWHTXHDGTDI-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA in-vitro C[C@H](Cl)C(=O)N1CCC(n2nnc3c2CCCC3)CC1 1875364937 YIUWTBOULWXSFQ-JTQLQIEISA-N 296.802 1.948 50 50 CDGA COc1ccc(OC)c(/C=N/NC(=O)c2cc[nH]n2)c1 17729730 UZDHPCXJVPHYIH-OVCLIPMQSA-N 274.280 1.191 50 50 CDGA CCCOc1cc(B(O)O)cc(C(F)(F)F)c1F 169964675 KABKCLSFCLORND-UHFFFAOYSA-N 265.999 1.313 50 50 CDGA N#Cc1cccc(C(=O)NNc2ncccc2Cl)n1 810405835 PKURTFPJHJJVBP-UHFFFAOYSA-N 273.683 1.759 50 50 CDGA Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 18107391 RFKSFJCEGGRWFE-ZDUSSCGKSA-N 279.299 1.902 50 50 CDGA O=C(Nc1ccc(F)c(B(O)O)c1)OCc1ccccc1 169746225 ZRPHZGSBDFAFOX-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA C[C@H](Cl)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 1875366382 GDHLESDAGKHZBZ-GXSJLCMTSA-N 298.774 1.070 50 50 CDGA O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3888610 QDSRPZLVNAXMTL-UHFFFAOYSA-N 283.715 1.482 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](C)c1nnc2n1CCCC2 1875377708 LPIBGJSGJHWLGY-HTQZYQBOSA-N 256.737 1.419 50 50 CDGA NNC(=O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 272628 YIXQPINCRBRCPI-UHFFFAOYSA-N 271.295 1.949 50 50 CDGA O=C1OC(=O)c2c(I)cccc21 100046747 SKHCDRLTAOLKHQ-UHFFFAOYSA-N 274.013 1.602 50 50 CDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1 2509119 SGNLNFVIQUVTKO-YBFXNURJSA-N 295.342 1.875 50 50 CDGA CCn1cc([C@H]2CN(C(=O)[C@H](C)Cl)CCO2)cn1 1875380204 IMIVUBPQABOVDA-GXSJLCMTSA-N 271.748 1.430 50 50 CDGA CC(=O)[C@@]1(O)C(=O)Cc2ccccc2N1CCCl 335873 VYGYDEAABFRCJA-CYBMUJFWSA-N 267.712 1.135 50 50 CDGA O=C([C@@H](F)Cl)N1CC(c2nccc(C(F)(F)F)n2)C1 2325898616 ODGGLZAPKLPZEQ-SSDOTTSWSA-N 297.639 1.956 50 50 CDGA CCn1nc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1C 13136074 DHINARXJUHIUTC-ZDUSSCGKSA-N 298.350 1.770 50 50 CDGA in-vitro CC(C)(C)[Si](C)(C)OCCOC[C@H](O)CO 585661713 QQJYWUHCQACCPA-SNVBAGLBSA-N 250.411 1.378 50 50 CDGA C#CCCCC(=O)NCCc1ccc(S(=O)(=O)F)cc1 206019171 HWSJGTCAHFQVSV-UHFFFAOYSA-N 297.351 1.807 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1F 169934640 LARMLYKSRWOEDJ-UHFFFAOYSA-N 270.185 1.890 50 50 CDGA Cc1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)o1 278872 FUPKGLPDLTYEKD-MRVPVSSYSA-N 291.332 1.145 50 50 CDGA O=C(CCl)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 952883145 UVHNDEKWBKFHRS-VHSXEESVSA-N 287.146 1.830 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O 1875363904 DEOBTTJJJFEDPT-JFGNBEQYSA-N 280.755 1.924 50 50 CDGA CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)cn1 355520 WWFLKMBHHGEHKV-VIZOYTHASA-N 260.272 1.806 50 50 CDGA CCO[Si](C[C@H](N)CCCCCN)(OCC)OCC 196906521 JAMDOQZGQPIDLE-CYBMUJFWSA-N 292.496 1.881 50 50 CDGA O=C(CCl)N1CCN(Cc2cscn2)CC1 1116437663 MOEJIUZWTOOEDX-UHFFFAOYSA-N 259.762 1.026 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2Cl)cc1 169744412 QPOVNZIDPRWLCA-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA O=C(N=c1[nH]onc1-c1ccccn1)[C@@H](F)Cl 2325901392 CCZNUBGIGDDCTI-SSDOTTSWSA-N 256.624 1.026 50 50 CDGA Cc1nc(NC(=O)C(Cl)Cl)sc1C(=O)N(C)C 473752 KOHMILAYNCXYHB-UHFFFAOYSA-N 296.179 1.896 50 50 CDGA CC[C@H](NC(=O)/C(C#N)=C\c1cn(C)nn1)c1ccccc1 490699060 SCPPZAPGYYDJBC-CTXBLAANSA-N 295.346 1.990 50 50 CDGA CC(C)(C)OC(=O)NCCSSCCN 78317375 XGHNLHVZHBSTHO-UHFFFAOYSA-N 252.405 1.851 50 50 CDGA in-vitro CNC(=O)C[C@H](NC(=O)CCl)c1ccc(F)cc1F 1615055664 KPULQZHZXBAPBR-JTQLQIEISA-N 290.697 1.497 50 50 CDGA C[C@H](Cl)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1875376376 VCYFKCSVCAMVHZ-VHSXEESVSA-N 286.763 1.025 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 2166252 ZSFBWBXPWTVDHL-DWKHYPNZSA-N 299.286 1.779 50 50 CDGA C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(Cl)c1 169744462 UIWKNFJVKYSRCH-VIFPVBQESA-N 281.548 1.034 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cc(C(F)F)nn1C 1875376286 RFHYKRBWBCUNEQ-RXMQYKEDSA-N 251.664 1.601 50 50 CDGA N#Cc1cccnc1O[C@H]1CC[C@H](NC(=O)CCl)CC1 1875380071 DIACGZPNHMIEKR-HAQNSBGRSA-N 293.754 1.998 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1n[nH]c2c1CCC2 9271185 NOPKZAWUTSKKSR-OVCLIPMQSA-N 270.292 1.368 50 50 CDGA CC(C)(C)[Si](C)(C)OCc1ccc(B(O)O)cc1 169855887 UMYBPELCCZPPOD-UHFFFAOYSA-N 266.222 1.888 50 50 CDGA in-vitro CCOc1ccc(/N=c2/nc(N)nc(CCl)[nH]2)cc1 18102979 GQUQMAJNMRIGRM-UHFFFAOYSA-N 279.731 1.757 50 50 CDGA O=S(=O)(NC[C@@H]1CCCO1)c1ccc(N=C=S)cc1 19737327 CGCDDAVLIRTESD-NSHDSACASA-N 298.389 1.878 50 50 CDGA OB(O)c1cc(F)c(OC2CCCC2)c(Cl)c1 169955336 IUFUIECEFIREMD-UHFFFAOYSA-N 258.485 1.480 50 50 CDGA COC[C@@]1(CNC(=O)[C@@H](C)Cl)OCCc2ccccc21 1875376108 MPAXDRIWRWOPSP-IAQYHMDHSA-N 297.782 1.845 50 50 CDGA CCC[C@@H](Oc1ccc(Br)cc1)C(=O)NN 260495 OCXWFKWBMAXHQR-SNVBAGLBSA-N 287.157 1.987 50 50 CDGA C[C@]1(O)[C@H]2[C@H]3[C@H](I)[C@H]4[C@@H]5[C@@H]3[C@H]1[C@H]5[C@@H]42 254839619 CLTFPOYVGDADLT-KODYVPBTSA-N 288.128 1.539 50 50 CDGA OB(O)c1ccc([C@@H]2CC(F)(F)C2(Cl)Cl)cc1 169955470 WWPQUVGSCMNRSV-QMMMGPOBSA-N 280.894 1.663 50 50 CDGA CCOC(=O)[C@@]1(CC)CCCN1C(=O)[C@H](C)Cl 1875377673 KPJGKCRHEYNQNC-JOYOIKCWSA-N 261.749 1.948 50 50 CDGA N#Cc1ccc(OCc2cccc(C(=O)NN)c2)cc1 374062 QSYJPYASJNFQTP-UHFFFAOYSA-N 267.288 1.741 50 50 CDGA C[C@H](Cl)C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 1875364062 HTVYHUGQOMKOQD-MADCSZMMSA-N 289.162 1.784 50 50 CDGA COc1ccccc1Nc1nc(N)nc(CCl)n1 18211732 UWNVVXSNBLERAQ-UHFFFAOYSA-N 265.704 1.945 50 50 CDGA CN1C(=O)C(=NNC(=O)c2cccnc2)c2ccccc21 254868151 LCOXNTUQQVVXOM-UHFFFAOYSA-N 280.287 1.192 50 50 CDGA CCN(C)NC(=O)CCc1ccc2c(c1)OCCCO2 253417383 SNNUELNSKBPHGL-UHFFFAOYSA-N 278.352 1.763 50 50 CDGA COc1cccc(NNC(=O)c2ccc3cc[nH]c3n2)n1 781023877 MAQVDNZLXBQVJN-UHFFFAOYSA-N 283.291 1.723 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5081001 UUGWDRPJELZORB-NSHDSACASA-N 298.277 1.436 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)[C@@H]1n1cccn1 1875380772 ZFGPVKXHSOWMBC-YTWAJWBKSA-N 271.748 1.345 50 50 CDGA O=C(CCl)N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875367489 HSIOYYDBYWGUQF-FSPLSTOPSA-N 281.665 1.725 50 50 CDGA O=C(CCl)NCCCc1c[nH]nc1C(F)(F)F 1875368978 UMRBZVJWHQJDBU-UHFFFAOYSA-N 269.654 1.716 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 1875363580 KMWIMEXLHIRFRW-MRVPVSSYSA-N 290.772 1.302 50 50 CDGA COc1ccc2c(c1)[C@](O)(CNC(=O)CCl)CCC2 1875375116 RLCQUJBRTHXDCI-CQSZACIVSA-N 283.755 1.574 50 50 CDGA Cc1ncc2c(n1)CCN(C(=O)[C@@H](C)Br)C2 1875388681 LVQDWZYKSKJMBA-SSDOTTSWSA-N 284.157 1.453 50 50 CDGA CC(=O)NC/C(C)=N\NC(=O)c1cccc(Cl)c1 4957053 TUGPGEMBPVEPAJ-NVNXTCNLSA-N 267.716 1.582 50 50 CDGA CSc1nc2c(B(O)O)cc(Cl)cc2s1 170001390 USUBVLOYOXIEQW-UHFFFAOYSA-N 259.548 1.351 50 50 CDGA CCCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1 5615503 BPGGUCNJEQUHSW-UHFFFAOYSA-N 260.297 1.469 50 50 CDGA C[C@@H](Cl)C(=O)N(C)CC(=O)Nc1nccs1 1875363555 JIZGUWLKKCPIPN-ZCFIWIBFSA-N 261.734 1.167 50 50 CDGA O=C(CCl)NC[C@H]1C(F)(F)C12CCOCC2 1875368912 FIVXBJYPRCZNHT-SSDOTTSWSA-N 253.676 1.403 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccccc1 100507958 DDEHJEMTOGTCDF-RKPNYOAGSA-N 286.335 1.429 50 50 CDGA CC(C)N1CCC(=NNC(=O)[C@@H](O)c2ccccc2)CC1 55072039 NIBPZIGWYYTKBE-HNNXBMFYSA-N 289.379 1.696 50 50 CDGA CCCC(CCC)=NNC(=O)C(=O)NC(C)(C)C 5016839 VCSCFVDKTILQEI-UHFFFAOYSA-N 255.362 1.974 50 50 CDGA C=CCNC(=S)NNC(=O)COc1ccc(Cl)cc1 5171612 DPCLXANSDAQJRB-UHFFFAOYSA-N 299.783 1.400 50 50 CDGA COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)c1 18148554 CYGSPJHVGNJQLA-CXUHLZMHSA-N 284.319 1.671 50 50 CDGA O=C(CCl)NC[C@H]1CCc2cc(F)ccc2O1 1875369933 QYQFQRCXDGWSIP-SNVBAGLBSA-N 257.692 1.874 50 50 CDGA NNC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 23115369 AMGHTLYTMGRZLS-NSHDSACASA-N 251.305 1.028 50 50 CDGA Cc1c(C(N)=O)sc(NC(=O)CCl)c1C#N 13324270 JPZHZEMEHBOHFX-UHFFFAOYSA-N 257.702 1.204 50 50 CDGA CC(C)Oc1ccc(F)c(B(O)O)c1Br 169748137 UVXVGFZUDLIHKI-UHFFFAOYSA-N 276.898 1.055 50 50 CDGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccs1 874891 SSNCPSUYCHDGAP-SSDOTTSWSA-N 293.373 1.305 50 50 CDGA C[C@@H](Br)CS(=O)(=O)C(F)(F)F 3075428 BUVKCLPACTYUQJ-GSVOUGTGSA-N 255.055 1.704 50 50 CDGA CC(C)c1nc([C@@H]2CN(C(=O)[C@@H](C)Cl)CCO2)no1 1875380538 RRWDKZKHNNEDLC-BDAKNGLRSA-N 287.747 1.720 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 127880 LRYLEJRKWIHXGC-UHFFFAOYSA-N 299.286 1.978 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2ccccc2C(=O)O)c1 280881 VNHDFWLZRNLOCE-UHFFFAOYSA-N 298.298 1.768 50 50 CDGA O=C(NNC(=O)c1ccccc1C(=O)O)c1ccccc1 3960362 IXLYQMAGQRBVFU-UHFFFAOYSA-N 284.271 1.460 50 50 CDGA C=CCNC(=S)NNC(=O)c1csc(C)c1C 8829904 MADCDISJWCEUNA-UHFFFAOYSA-N 269.395 1.660 50 50 CDGA OB(O)c1ccccc1-c1noc(-c2ccccc2)n1 170002327 LFQOWMMVVGOSIC-UHFFFAOYSA-N 266.065 1.083 50 50 CDGA Cc1cc(Br)c(OC(C)C)c(B(O)O)c1 169748159 VTDMHYFQQWORBC-UHFFFAOYSA-N 272.935 1.225 50 50 CDGA in-vitro N#Cc1cccc(N[C@H]2CCN(C(=O)CCl)C2)c1 1875375299 YBDVEVFFRJNVGP-LBPRGKRZSA-N 263.728 1.810 50 50 CDGA CN(CCc1ncc(Br)cn1)C(=O)CCl 1875377257 BCBQRMKJLDXUCU-UHFFFAOYSA-N 292.564 1.479 50 50 CDGA CCOc1cc(C(=O)NN)cc(OCC)c1OCC 2390389 VAJDYADVRMKUIC-UHFFFAOYSA-N 268.313 1.486 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1C1c3ccccc3C2(O)c2ccccc21 100814135 LNMNOCUGQYJRRK-QRHJNKNDSA-N 292.290 1.697 50 50 CDGA CC(C)(C)OC(=O)Nc1ccc(B(O)O)c(Cl)c1 170002503 TXTRMICCPSQYOU-UHFFFAOYSA-N 271.509 1.367 50 50 CDGA COc1cc([N+](=O)[O-])c(OC)cc1CNC(=O)CCl 20228079 WAMNESXIBUKSPC-UHFFFAOYSA-N 288.687 1.467 50 50 CDGA CCOC(=O)/C(=N/Nc1ccccc1OC)C(=O)CCl 169452100 VEUBAYVVADRODK-FOWTUZBSSA-N 298.726 1.834 50 50 CDGA CCO[Si](CCOC[C@@H]1CO1)(OCC)OCC 196538318 RWJUTPORTOUFDY-LLVKDONJSA-N 264.394 1.450 50 50 CDGA COc1cc(NC(=O)CCl)cc(OC)c1OC 2650143 VSRMXUOEQLPQSY-UHFFFAOYSA-N 259.689 1.890 50 50 CDGA in-vitro OB(O)c1cc(Br)cc(C(F)(F)F)c1F 169934810 WRIJOUMGMHQBFI-UHFFFAOYSA-N 286.815 1.287 50 50 CDGA O/N=C1\[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 245237090 FLIVZDHPXLXDIL-KLAAWUDNSA-N 254.127 1.968 50 50 CDGA COC(=O)[C@@](C)(Br)CBr 3074860 GVLXNUSEDDXIGJ-YFKPBYRVSA-N 259.925 1.708 50 50 CDGA CN1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1 55072005 NDRZPADEXBUXEK-UHFFFAOYSA-N 270.336 1.979 50 50 CDGA O=C(NN=Cc1cccnc1)c1ccccc1[N+](=O)[O-] 254833350 BXYKVVNZXJZQTH-UHFFFAOYSA-N 270.248 1.754 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1 675050335 AARGCEYGIOTKNF-UHFFFAOYSA-N 270.185 1.890 50 50 CDGA OB(O)c1ccccc1OCc1cccc(F)c1F 169924040 ALZGXXJMVCAYEJ-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro O=C(CCl)N1CCN(c2ccc(F)cc2)CC1 2215725 KOSFWARHNRKNOW-UHFFFAOYSA-N 256.708 1.713 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(F)cc1)c1n[nH]c2c1CCC2 4427624 VBHORVAZMUYCMN-LZYBPNLTSA-N 272.283 1.801 50 50 CDGA N#C/C(=C\c1cc2ccc(N3CCC3)cc2oc1=O)C(N)=O 936069041 ACUFSVRPYXSWCJ-KPKJPENVSA-N 295.298 1.395 50 50 CDGA CC(=O)NNC(=O)COc1cccc2ccccc12 510756 WUOUITFWEBWZCD-UHFFFAOYSA-N 258.277 1.386 50 50 CDGA CN1C(=O)/C(=C(\C#N)C(=O)N2CCCC2)c2ccccc21 1421051 MZEIOYDETCQSSN-WYMLVPIESA-N 281.315 1.563 50 50 CDGA CN(C(=O)CCl)C1CCN(CCc2ccccn2)CC1 1341509951 TYXBQAKIBZDCMU-UHFFFAOYSA-N 295.814 1.786 50 50 CDGA COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1O 16995799 KRVQXHXVRHKZHY-VGOFMYFVSA-N 274.280 1.196 50 50 CDGA N#C[C@H]1CN(C(=O)CCl)C[C@@]12C(=O)Nc1ccccc12 1875375167 SVRZHTOBCMDCHX-LKFCYVNXSA-N 289.722 1.097 50 50 CDGA COc1ccc(Cl)cc1[C@H](O)CNC(=O)CCl 1875366156 WIADGRBSXBDKDZ-SECBINFHSA-N 278.135 1.737 50 50 CDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@H]2C1 4452972 LKMRYQWWCVEQNG-GXFFZTMASA-N 267.336 1.284 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)c2cnccn2)cc1 45358 SIIWHUSDQNLVGO-CAOOACKPSA-N 284.275 1.027 50 50 CDGA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)[C@@H](C)Cl)o1 1875375982 LAVRMLKJSNKLMA-ZDMBXUJBSA-N 299.758 1.681 50 50 CDGA NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 2522133 MYRVUECGBOBAHP-UHFFFAOYSA-N 288.204 1.634 50 50 CDGA CCSCC(=O)NNC(=S)Nc1ccccc1 2597439 MGHJQPUKWMXKBO-UHFFFAOYSA-N 269.395 1.757 50 50 CDGA O=C(CCl)NC[C@@]1(c2ccccc2)COCCO1 1875367893 WIDLBOPAOSWQDG-ZDUSSCGKSA-N 269.728 1.284 50 50 CDGA O=CC(Br)=C(Br)C(=O)O 1857524356 NCNYEGJDGNOYJX-UHFFFAOYSA-N 257.865 1.271 50 50 CDGA C[C@H](Cl)C(=O)NCc1nnc2n1-c1ccccc1CC2 1875364911 XYWPJEZBRIYUCF-VIFPVBQESA-N 290.754 1.609 50 50 CDGA COc1ccc(/C=N\NC(=O)c2cccnc2)cc1 32010998 OGTOITILZHXBDL-SXGWCWSVSA-N 255.277 1.854 50 50 CDGA NC(=O)N/N=C1\[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5Br)[C@H]42 257346623 WLDWXNQDVDIUJY-IYNVZZFESA-N 296.168 1.162 50 50 CDGA NC(=O)N/N=C1/CC[C@@](C(=O)O)(c2ccccc2)C1 5019450 YZTPLWWUDDJENJ-OJNRTJSBSA-N 261.281 1.217 50 50 CDGA C[C@H](NC(=O)CCl)C(=O)N1c2ccccc2C[C@H]1C 1875375207 UXZBUQZAICTTBC-ZJUUUORDSA-N 280.755 1.708 50 50 CDGA O=C(CCl)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1C[C@H]2CC[C@H]1C2 1875379325 PXUXEBXCMXFJKD-MOUCOTEISA-N 284.787 1.425 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 101787750 HMQMKEJKFYVJIV-DRZSPHRISA-N 258.321 1.884 50 50 CDGA O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@@H]1C1CCCCC1 170638998 GCPODFBXNKWMFY-OLZOCXBDSA-N 295.383 1.276 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 1875380438 OYQRTRJMCKVFIC-UFGOTCBOSA-N 297.786 1.867 50 50 CDGA CC(/C=N/NC(=O)c1ccco1)=N\NC(=O)c1ccco1 4949513 YWCRWCLEKYOAAL-VOMDNODZSA-N 288.263 1.394 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/C=C/c1ccccc1 100507339 ROTIJYKTILTUKC-HXNPUCATSA-N 298.346 1.704 50 50 CDGA O=C(CCl)Nc1ccc(N2CCOCC2)cc1 379116 WNCPYARGOVXDAO-UHFFFAOYSA-N 254.717 1.701 50 50 CDGA in-vitro O=C(/C=C(\Cl)C(=O)OCCCl)OCCCl 5178728 XUQCASQMCKGRHJ-WAYWQWQTSA-N 275.515 1.673 50 50 CDGA CC(C)Oc1cc(B(O)O)cc(Cl)c1OC(C)C 169964659 XLBDNXHYKMPCQU-UHFFFAOYSA-N 272.537 1.594 50 50 CDGA COc1cccc(C(F)(F)CNC(=O)CCl)n1 1875377149 AHSCKYHNDMCWPV-UHFFFAOYSA-N 264.659 1.537 50 50 CDGA CC1=CCCC(C)(C)[C@H]1C(=O)C[C@H](C)NNC(N)=O 2981278 HODDEJOQCDTFPP-CMPLNLGQSA-N 267.373 1.890 50 50 CDGA CC(=O)[C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 4530118 CYAUEWIEIHXKAI-VIFPVBQESA-N 256.645 1.730 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1ccc(B(O)O)cc1 169743983 KQGSKPWDDNXYNQ-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA in-vitro O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccco1 254506 KQBUMZVZZXMZPB-VGOFMYFVSA-N 258.233 1.772 50 50 CDGA COC(=O)c1cccc2[nH]c(CCl)nc(=O)c12 202528876 GCCKDFROPZNSAC-UHFFFAOYSA-N 252.657 1.449 50 50 CDGA in-vitro CN(CC(=O)N1CCCc2ccccc21)C(=O)CCl 1875363468 BXPFXGKJLLUYJV-UHFFFAOYSA-N 280.755 1.663 50 50 CDGA CCC(=O)N1CC[C@@H](NC(=O)CCl)[C@H](CC)C1 1875379206 OFIXQWZUFQOLGJ-NXEZZACHSA-N 260.765 1.379 50 50 CDGA CCCCN(CCCC)C(=O)c1ccc(B(O)O)cc1 196015248 IPOSLHSSMGIXCM-UHFFFAOYSA-N 277.173 1.409 50 50 CDGA O=C(CCN1CCCCC1)N/N=C/c1cccnc1 5029276 UZNBUHXOBCPGNA-FOWTUZBSSA-N 260.341 1.408 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1 5818495 NKPNNSWEVAZHOU-UHFFFAOYSA-N 258.281 1.101 50 50 CDGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)N1CCCCC1 2913042 QHCXGDFPPUBTKD-MHWRWJLKSA-N 293.754 1.803 50 50 CDGA CCc1[nH]nc2c1[C@]1(CCO[C@H]1C)C(C#N)=C(N)O2 6530418 CIUPEIIWGDUNAE-CPFSXVBKSA-N 260.297 1.105 50 50 CDGA N#CSCCCNC(=O)c1ccc(C(N)=O)cc1 408516078 LEASNONHHHZJFX-UHFFFAOYSA-N 263.322 1.120 50 50 CDGA Cc1ccc(NC(=O)c2cc(B(O)O)ccc2Cl)cc1 169744160 JFTMFWPMCZEIFU-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA CCn1cc(CN(C(=O)CCl)C2CC2)c(C)n1 1875374143 CFENTQQHQYANBZ-UHFFFAOYSA-N 255.749 1.941 50 50 CDGA C[C@H](Cl)C(=O)Nc1cccc2c1N(C)C(=O)CO2 1875366947 BPVRLBXHBBEHLP-ZETCQYMHSA-N 268.700 1.608 50 50 CDGA CC(=O)C[C@@H]1C[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@@H]34)[C@H]12 254556768 NSZMLCNSHZITQR-BIYAMIEUSA-N 260.289 1.349 50 50 CDGA O=C(Cc1cccs1)N/N=C/c1ccc(O)cc1O 446821 BBXHNPOSACXMPT-RIYZIHGNSA-N 276.317 1.852 50 50 CDGA OB(O)c1ccc([C@H]2CC(F)(F)C2(Cl)Cl)cc1 169955472 WWPQUVGSCMNRSV-MRVPVSSYSA-N 280.894 1.663 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)c1ccncc1 4579041 BZRSOSSBMNQHDO-UHFFFAOYSA-N 266.260 1.168 50 50 CDGA C[C@@H](Cl)C(=O)N(C)[C@H]1CCN(c2ccncc2)C1 1875369915 PUERFTIAAWLAHC-PWSUYJOCSA-N 267.760 1.746 50 50 CDGA O=C(NNC(=O)c1ccc2cc[nH]c2n1)c1ccccn1 779379346 AOFHPQRDNCOOSM-UHFFFAOYSA-N 281.275 1.033 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 288579 URQZJORCINPMMO-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA N#C/C(=C\c1ccccn1)C(=O)NCc1cccnc1 253446976 NMNFPYFCSBSZSH-MDWZMJQESA-N 264.288 1.700 50 50 CDGA O=C(Cc1ccccc1)NNC(=S)NCc1ccccc1 2556308 DRXCVVFIAYUZCC-UHFFFAOYSA-N 299.399 1.925 50 50 CDGA Cc1cccc(/C=N/NC(=O)CN2CCSCC2)c1 4990407 YEIMZWOUFDYYNJ-XNTDXEJSSA-N 277.393 1.494 50 50 CDGA Cc1nc2cc(B(O)O)c(F)cc2n1C1CCCC1 170001997 WHOAHTWKCVMZMY-UHFFFAOYSA-N 262.093 1.279 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1 4354721 NUUIINAFMWYHJE-MHWRWJLKSA-N 283.287 1.481 50 50 CDGA Cc1cccc2nc(CCNC(=O)CCl)cn12 1875374897 IWVQXXFURQKCIB-UHFFFAOYSA-N 251.717 1.540 50 50 CDGA CCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)n1 4237597 ZQOFDJPUGZLHGT-GFCCVEGCSA-N 284.323 1.461 50 50 CDGA CC(C)(C)OC(=O)N1CC(O)(CBr)C1 575441146 HQQDJMWHMNPDOJ-UHFFFAOYSA-N 266.135 1.363 50 50 CDGA in-vitro COCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F 5041410 CUMYFSAFNKOWDZ-UHFFFAOYSA-N 291.229 1.505 50 50 CDGA O=C(CCl)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1875369899 PCUUZMNNQFLQEC-ZETCQYMHSA-N 286.681 1.142 50 50 CDGA C[C@H](Cl)C(=O)NCCn1cnc2sccc2c1=O 1875369896 OXOBNQQTNRZWBK-ZETCQYMHSA-N 285.756 1.202 50 50 CDGA CCOC(=O)Cc1[nH]nc2c1[C@H](C(C)C)C(C#N)=C(N)O2 523329 HYVVVFICTZQQKF-LLVKDONJSA-N 290.323 1.341 50 50 CDGA CC1(C)C[C@@]2(C)NC(=C(C#N)C#N)[C@]1(C#N)C(N)=C2C#N 59721947 LXVWROBAWPMJFS-CABCVRRESA-N 278.319 1.326 50 50 CDGA C[Si](C)(C)c1cc2cccc(B(O)O)c2s1 169934017 VXRYHMIXGDKPOJ-UHFFFAOYSA-N 250.204 1.126 50 50 CDGA in-vitro COc1cc(/C=N/NC(=O)CC[C@H](C)O)ccc1O 3105749 HYXAJALOTXIRBF-PFMRQGHBSA-N 266.297 1.012 50 50 CDGA CN(C(=O)CCl)[C@H]1CCN(c2ccccc2F)C1=O 1253968665 RPMMZBLQOBKRNG-NSHDSACASA-N 284.718 1.628 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 1875363548 IURSUPKJYJLOKG-BQBZGAKWSA-N 286.681 1.235 50 50 CDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccco1 559325 GGJJLHVXPDMUIH-LLVKDONJSA-N 260.249 1.534 50 50 CDGA C[C@H](Cl)C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 1875368004 IFKLFZFCGANKDZ-CABZTGNLSA-N 258.749 1.085 50 50 CDGA C[C@H](NC(=O)CCl)c1cc(C(F)(F)F)n[nH]1 1875377403 ZJUSRLPGMOATQI-BYPYZUCNSA-N 255.627 1.845 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@H]1CCN(c2ccncc2)C1 1875369914 PUERFTIAAWLAHC-JQWIXIFHSA-N 267.760 1.746 50 50 CDGA O=C(NCc1ccc2c(c1)OCO2)C(Cl)Cl 441614 JUTGSFBYRFTEOX-UHFFFAOYSA-N 262.092 1.835 50 50 CDGA O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccco1 2894386 CJDMPJYLLFDULC-OSVAPHAJSA-N 297.314 1.559 50 50 CDGA OCCOc1ccc(OCCBr)cc1 3123906 FNDRBOXNIJKFQX-UHFFFAOYSA-N 261.115 1.831 50 50 CDGA CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(C)CC2)cc1 4982675 KOHJFZKKIWWQGC-QINSGFPZSA-N 299.374 1.908 50 50 CDGA CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)[C@@H](C)Cl)C2 1875366956 DZYHUQQNJMZSAU-RKDXNWHRSA-N 299.758 1.418 50 50 CDGA Cc1cc(=NC(=O)CCl)nc2nc(C(F)(F)F)[nH]n12 1324707657 YMVUYPCNADBFCL-UHFFFAOYSA-N 293.636 1.051 50 50 CDGA CCC[C@H](NC(=O)[C@H](C)Br)C(=O)O 1699067 IHAIHVWQEFQBFU-WDSKDSINSA-N 252.108 1.139 50 50 CDGA CCOc1ccc(-c2[nH]nc(C(=O)NN)c2C)cc1 8683439 ZGKBOCHBQGGPCQ-UHFFFAOYSA-N 260.297 1.387 50 50 CDGA O=C(NNC(=O)c1ccco1)c1ccc2nccn2c1 675083028 PBAPIVMXPCDONG-UHFFFAOYSA-N 270.248 1.002 50 50 CDGA CCOc1ccc(NC(=S)NNC(=O)C[C@@H](C)O)cc1 13497533 BQALPBYRWFHEOS-SECBINFHSA-N 297.380 1.174 50 50 CDGA Cc1[nH]nc2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 18190859 VYGIWUNRWYXGJY-NSHDSACASA-N 253.265 1.331 50 50 CDGA CC[C@]1(C(Br)Br)NC(=O)NC1=O 2164297 FUDKLRUVLUCQPH-ZCFIWIBFSA-N 299.950 1.091 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@H]1c1nc(N(C)C)no1 1875377435 DLYRHIWFVKRRLI-YUMQZZPRSA-N 272.736 1.426 50 50 CDGA C[C@]1(Br)CS(=O)(=O)C[C@H]1Br 3865761 NRTPKWCCOPMHSN-UHNVWZDZSA-N 291.992 1.332 50 50 CDGA O=C(NNc1ncccc1Cl)c1cnsn1 114885356 ZTMNRBXWPOEZNB-UHFFFAOYSA-N 255.690 1.343 50 50 CDGA O=[P@]1(NCCCl)OCCCN1CCCl 1530660 HOMGKSMUEGBAAB-CQSZACIVSA-N 261.089 1.884 50 50 CDGA biogenic,fda CCNC(NCC)=C(C#N)c1nnc2n1CCCCC2 170602603 UBEYCENHZTWUBZ-UHFFFAOYSA-N 274.372 1.416 50 50 CDGA OB(O)c1cc(Br)ccc1OC(F)(F)F 169748111 GLPYFDWQKJBUGP-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA O=C(Cl)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc12 6862975 XBQYXPYABMCADZ-QMMMGPOBSA-N 296.670 1.865 50 50 CDGA in-vitro Cc1cccc(N2CCN(C(=O)CCl)[C@H](C)C2)n1 1875364851 WDIIADRCELIOKW-LLVKDONJSA-N 267.760 1.666 50 50 CDGA Cc1cc(C)cc(C(=O)NNc2c(C#N)c(C)nn2C)c1 1875344463 DHYSOQYWFKYLTJ-UHFFFAOYSA-N 283.335 1.974 50 50 CDGA Nc1ccccc1C(=O)NNC(=O)c1ccccc1 2156416 PRFZPINUJVSKGJ-UHFFFAOYSA-N 255.277 1.344 50 50 CDGA CC(C)(C)OC(=O)NC1CCN(C(=O)CCl)CC1 43828319 ULSBBPVLLBKLLQ-UHFFFAOYSA-N 276.764 1.741 50 50 CDGA in-vitro CN(C)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1 6659509 CENNJVZPQDMUNL-YRNVUSSQSA-N 278.319 1.994 50 50 CDGA CS(=O)(=O)c1ccc(CBr)c([N+](=O)[O-])c1 2525104 ZXOQKCSPENGHOG-UHFFFAOYSA-N 294.126 1.893 50 50 CDGA NNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 2571597 CUZIXAGEHDEXSU-NSHDSACASA-N 251.305 1.028 50 50 CDGA O=C(CCl)NCc1ccccc1Cn1cncn1 1344639229 FRBCWPIAWXTBRX-UHFFFAOYSA-N 264.716 1.181 50 50 CDGA C[C@@]1(CNC(=O)CCl)OCCc2sccc21 1875378155 WMYPIHBNDGRKRH-NSHDSACASA-N 259.758 1.891 50 50 CDGA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)Cl)n1 1875364452 MWASSTDTTLFXSF-QWRGUYRKSA-N 295.770 1.947 50 50 CDGA CC(C)[C@H](NC(=O)CCl)C(=O)NCc1ccccc1 1875378620 IACJGIQMMLYIGR-ZDUSSCGKSA-N 282.771 1.682 50 50 CDGA C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NN 6249391 RKNFXQJEWVQEOS-YFKPBYRVSA-N 293.548 1.860 50 50 CDGA CCCC(=O)NNC(=O)[C@H](C)Oc1ccccc1 8569453 APECFQYJKHETJC-JTQLQIEISA-N 250.298 1.401 50 50 CDGA O=C(NNc1nnc[nH]1)[C@@H]1C[C@H]1c1c(F)cccc1F 253418716 GNQJCNCEKOCRLY-RNFRBKRXSA-N 279.250 1.330 50 50 CDGA CN(C)/C=N/C1=NC2(CCCCC2)NC1=C(C#N)C#N 253470769 CWFOLHBNUJEGQS-LICLKQGHSA-N 270.340 1.540 50 50 CDGA O=C1OC(=O)[C@H]2[C@H]1[C@@]1(C(=O)Nc3ccccc3)C=C[C@H]2CC1 670432227 KTDXWUFTHSEOND-BMGIQWSVSA-N 297.310 1.907 50 50 CDGA C/C(=N\NC(=O)c1cnccn1)c1ccc(O)cc1 13563105 BIHBHCAOILKHHB-CXUHLZMHSA-N 256.265 1.336 50 50 CDGA O=C(CCl)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 1116439192 MCPSXOBJZMOILZ-VHSXEESVSA-N 289.784 1.638 50 50 CDGA O=C(CCl)NCc1ccc(-c2nc[nH]n2)cc1 1875375286 XIKOLJRPETWEIV-UHFFFAOYSA-N 250.689 1.327 50 50 CDGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 2892444 SOXHYDUVSHAWGR-OVCLIPMQSA-N 281.743 1.705 50 50 CDGA COc1c(B(O)O)ccc(OCc2ccccc2)c1F 170002153 YSHUUPVYIQQGMI-UHFFFAOYSA-N 276.072 1.093 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1Cl 169745030 IZMAVYDCXUROFV-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA in-vitro COC(=O)c1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 18241813 MEVOZRJMUZFHTE-OVCLIPMQSA-N 286.291 1.269 50 50 CDGA O=C(CCl)N1CC[C@@H](n2cnc3ccccc3c2=O)C1 1875368223 ZMUJQUNWQOCCGA-SNVBAGLBSA-N 291.738 1.409 50 50 CDGA C[C@@H](Cl)C(=O)N1CCOC[C@H]1c1cccn1C 1875377471 FGOYINDEEOCOTN-KOLCDFICSA-N 256.733 1.552 50 50 CDGA CC(C)(C)OC(=O)NC(C)(C)c1ccc(B(O)O)cc1 217044945 DCWIADJWBSDLGI-UHFFFAOYSA-N 279.145 1.126 50 50 CDGA O=C(CCl)N(C[C@@H](O)c1ccccc1)C1CC1 1875364461 RGBSDSSKFCWHJO-GFCCVEGCSA-N 253.729 1.950 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)[C@H]2O)c1cccs1 2325804918 CQOKQLCTGBJXNX-GOCCLTDMSA-N 294.376 1.306 50 50 CDGA CC(C)Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1 9374505 CUQPBIQBFVHTCG-UHFFFAOYSA-N 258.325 1.879 50 50 CDGA CCn1cc([C@@H]2CN(C(=O)[C@@H](C)Cl)CCO2)cn1 1875380205 IMIVUBPQABOVDA-KOLCDFICSA-N 271.748 1.430 50 50 CDGA CN(C)c1nc(Cl)c(CNC(=O)CCl)s1 1875375311 YUAPAEAHQFFPNL-UHFFFAOYSA-N 268.169 1.718 50 50 CDGA Cc1ccc(C(=O)Nc2ccccc2C(=O)NN)cc1 397588 BYVKPUGQFHJKPD-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA Cn1nccc1/C=C(/C#N)S(=O)(=O)c1ccccc1 13108940 UMLHPXCDAOMKEO-LCYFTJDESA-N 273.317 1.758 50 50 CDGA COc1ccc([C@H](NC(=O)CCl)[C@@H](C)O)cc1 1875374779 DYFROJLANVLJCB-PRHODGIISA-N 257.717 1.472 50 50 CDGA COCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@@H](C)Cl 1875366795 BGSWLKUCTPXKQU-KBVBSXBZSA-N 295.770 1.839 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 299900 UYUIDMVKAMWDNK-UHFFFAOYSA-N 299.286 1.978 50 50 CDGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC12CCC2 342710 DHKOSCJBHPIUTI-ZDUSSCGKSA-N 272.348 1.957 50 50 CDGA Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 4137027 KBSIKCVNXVVXMS-OAHLLOKOSA-N 293.286 1.043 50 50 CDGA COC(=O)c1cccc2c1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 254396025 FMXJBHKQHZUJOY-RQSQLSILSA-N 284.267 1.540 50 50 CDGA O=C(NNC(=O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 436183 WLJSBEFAZQSPHN-UHFFFAOYSA-N 291.307 1.936 50 50 CDGA C[C@@H](Cl)C(=O)N1CCc2nnc(N(C)C)cc2C1 1875363874 CDFXGCOGCVZRSP-MRVPVSSYSA-N 268.748 1.055 50 50 CDGA O=C(COc1ccccc1)NNC(=O)[C@H]1CC12CCC2 342711 WYDYUDUFGNWOLA-GFCCVEGCSA-N 274.320 1.403 50 50 CDGA COC(=O)[C@@H](CCc1ccc(OC)cc1)NC(=O)CCl 1875369923 QOUGWRKGZATRRG-GFCCVEGCSA-N 299.754 1.524 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1875366530 SNPQZJKWCPJKCP-IJLUTSLNSA-N 286.803 1.373 50 50 CDGA CC[C@H]1CN(CCn2cccn2)CCN1C(=O)[C@@H](C)Cl 1875364282 KPKQYANYRFABDD-OLZOCXBDSA-N 298.818 1.433 50 50 CDGA CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)[C@H](C)Cl)C2 1875366955 DZYHUQQNJMZSAU-IUCAKERBSA-N 299.758 1.418 50 50 CDGA C[C@H](NC(=O)[C@@H](F)Cl)C(=O)N1CCCC[C@@H]1C 2325898401 AOXNPUDBBQFSMT-XHNCKOQMSA-N 264.728 1.427 50 50 CDGA O=C(Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 3866572 YFGJTXSHQFLFGW-UHFFFAOYSA-N 273.741 1.850 50 50 CDGA N#Cc1cccc(N[C@@H]2CCN(C(=O)CCl)C2)c1 1875375298 YBDVEVFFRJNVGP-GFCCVEGCSA-N 263.728 1.810 50 50 CDGA O=C1C[C@@H](Br)C(=O)C[C@H]1Br 670418707 MGMVJOQHGGEIRG-QWWZWVQMSA-N 269.920 1.445 50 50 CDGA C[C@@H](Cl)C(=O)NCCn1cnc2sccc2c1=O 1875369895 OXOBNQQTNRZWBK-SSDOTTSWSA-N 285.756 1.202 50 50 CDGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccc(F)cc1 264814 WJMOSEDWJIMKKX-VIZOYTHASA-N 276.271 1.256 50 50 CDGA CN(C(=O)c1ccc(Cl)c(B(O)O)c1)c1ccccc1 169744619 USSXYGTYGPYQGM-UHFFFAOYSA-N 289.527 1.296 50 50 CDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 2571830 IMYDIOMTBQVJDD-OQLLNIDSSA-N 271.276 1.677 50 50 CDGA C[C@@H](c1ccccn1)N(C)CCNC(=O)CCl 1875368193 XYWWPVUHWBEIHQ-JTQLQIEISA-N 255.749 1.429 50 50 CDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc(Cl)c1 100567821 IRHYNALULWRCEF-BXRZMRDGSA-N 292.726 1.302 50 50 CDGA Cc1c(CBr)[n+](=O)c2ccccc2n1O 137797764 CDTXJEGCXHPTHZ-UHFFFAOYSA-N 270.106 1.996 50 50 CDGA O=C1OC(=O)c2ccc(S(=O)(=O)O)c3cccc1c23 60272385 HOMQUHGCYPKWEY-UHFFFAOYSA-N 278.241 1.397 50 50 CDGA in-vitro CCOc1ccccc1/C=N/NC(=O)c1cnccn1 45372 PLNXKVVLQGJAMY-RQZCQDPDSA-N 270.292 1.639 50 50 CDGA NS(=O)(=O)c1cccc(CBr)c1 16678726 HWNIOOLFFGHZMF-UHFFFAOYSA-N 250.117 1.229 50 50 CDGA in-vitro OB(O)c1cc(C(F)(F)F)cc(Br)c1F 169955388 VWFBSZFKKNFRJJ-UHFFFAOYSA-N 286.815 1.287 50 50 CDGA N#CC1=C(NCCc2ccccc2)C(=O)NCCC1 27569831 QSZDZNSBJFRLME-UHFFFAOYSA-N 255.321 1.506 50 50 CDGA Cc1cc(C(=O)NNC(=S)NC2CCCCC2)no1 1012038 CAHVLZVLRQFCNW-UHFFFAOYSA-N 282.369 1.425 50 50 CDGA CCOc1ccc(/C=N/NC(=O)C2CC2)cc1OC 438179 RFESFRFVCGTFFW-OQLLNIDSSA-N 262.309 1.954 50 50 CDGA Cc1cc(B(O)O)c(OCc2ccccc2)cc1F 169955306 YYDQCNDNFRBVGM-UHFFFAOYSA-N 260.073 1.393 50 50 CDGA C[C@H](Cl)C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 1875364057 HTVYHUGQOMKOQD-JVXZTZIISA-N 289.162 1.784 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H](c1nccn1C)C1CCOCC1 1875366485 NZRVKWKZDPMHGI-MWLCHTKSSA-N 285.775 1.631 50 50 CDGA CC(C)(C)OC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1702037 NJNCEVFMPQZBCO-UHFFFAOYSA-N 281.268 1.764 50 50 CDGA Cc1cc(B(O)O)ccc1OCc1cccc(Cl)c1 203381586 RCIACSLPHAPKNM-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA CCCCSc1ncc(C(F)(F)F)cc1B(O)O 169933820 ROCAGVUKVGNBMZ-UHFFFAOYSA-N 279.092 1.672 50 50 CDGA in-vitro C[C@H](Cl)C(=O)N(C)C1CCN(CCn2cccn2)CC1 1875363728 VURLORRHJIYYPE-LBPRGKRZSA-N 298.818 1.433 50 50 CDGA COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)CCl)cc1 1875378173 WQQWSLHSPOURIW-TZMCWYRMSA-N 283.755 1.958 50 50 CDGA O=C(CCl)N1CCO[C@H](COc2ccccc2)C1 2325885921 XMVRCLRVXVDJMT-LBPRGKRZSA-N 269.728 1.532 50 50 CDGA CC(C)(C)OC(=O)NNC(=S)NC[C@@H]1CCCO1 2856148 CXPWLTZFOULNPZ-QMMMGPOBSA-N 275.374 1.069 50 50 CDGA CCSc1ncc(NC(=O)NCCCl)c(=O)[nH]1 5349820 CMCIOVUFPDTWDD-UHFFFAOYSA-N 276.749 1.242 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H](O)c1ccccc1 432050 DZALWIUFFHFJAZ-FSEGOYHTSA-N 286.287 1.282 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 1875376300 RSTLOWDRUZVHHN-VHRBIJSZSA-N 267.756 1.896 50 50 CDGA NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1959484 YAXMQPNJKUPLAQ-UHFFFAOYSA-N 273.267 1.682 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@H]1CCCc2c1cnn2C 1875377970 SJJPAXPXCLGMEG-WPRPVWTQSA-N 255.749 1.883 50 50 CDGA O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1cccs1 1389957 LYIJHPGIQKJNOE-IUCAKERBSA-N 294.332 1.176 50 50 CDGA C[C@@]12C[C@@H](OC1=O)[C@@H](Br)C[C@@H]2C(=O)O 230111429 IXVHQBAAHQDSCF-HOCYRETQSA-N 263.087 1.176 50 50 CDGA Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)NN)cc1 448590 CINHQSGICMFTIA-NTEUORMPSA-N 296.330 1.151 50 50 CDGA O=C(NNC(=O)c1nccnc1Cl)NC1CCCCC1 905104593 UWQMOTQMXMMNJT-UHFFFAOYSA-N 297.746 1.407 50 50 CDGA CCNC(NCC)=C(C#N)C(=O)Nc1ccccc1 170602596 UPTILHYOGVYQBL-UHFFFAOYSA-N 258.325 1.579 50 50 CDGA O=C(NNC(=O)[C@@H]1CCCS1)c1coc(C2CCC2)n1 819669289 FYODNUBPJDOMGW-JTQLQIEISA-N 295.364 1.599 50 50 CDGA O=C(CCl)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 59015 MDZKSIJGAAFPGQ-ZJUUUORDSA-N 252.701 1.176 50 50 CDGA Cc1ocnc1C(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C21CC1 2325807758 QMTFRFVAQWIRFE-MXWKQRLJSA-N 287.319 1.346 50 50 CDGA CC(C)CNC(=O)CC(=O)N/N=C/c1ccccc1O 2902735 FRGSVONETFBTII-CXUHLZMHSA-N 277.324 1.005 50 50 CDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/C(C)=C/c1ccccc1 100508068 WSLXQYSLUCBUPJ-USKYHGAKSA-N 298.346 1.704 50 50 CDGA C[C@@]1(C(=O)NNc2nccnc2Cl)CCCO1 132957362 YYHMNFTYTDQSFH-JTQLQIEISA-N 256.693 1.142 50 50 CDGA O=C(NCCCl)c1cccc(C(=O)NCCCl)n1 196605718 QJZAOCYEAADFMR-UHFFFAOYSA-N 290.150 1.019 50 50 CDGA O=C1OC(=O)[C@@]23CC[C@]12CN(Cc1ccccc1)C3 1535542781 YEGJEWMERVCFIW-GJZGRUSLSA-N 257.289 1.352 50 50 CDGA COC(=O)[C@]1(NC(=O)CCl)CCc2ccccc2C1 1875368928 HHFGUPDMFCGXGZ-AWEZNQCLSA-N 281.739 1.442 50 50 CDGA CC/C(C)=N/NC(=O)c1c(O)c2ccccc2n(C)c1=O 100730589 ZROHGHGZXMIVHE-CXUHLZMHSA-N 287.319 1.760 50 50 CDGA CC[C@@H](Sc1ccccc1)C(=O)NN(C)C(N)=O 181084208 WCRWABYSBBTXLV-SNVBAGLBSA-N 267.354 1.599 50 50 CDGA C[C@@]1(CNC(=O)C2CCNCC2)C[C@@H]1Br 1328918405 KHTCQXONWQZKQE-ONGXEEELSA-N 275.190 1.276 50 50 CDGA Cc1ccc(-c2nc(/C=C(/C#N)S(N)(=O)=O)co2)cc1 170619846 ROWLGVGXJFEFOO-SDQBBNPISA-N 289.316 1.803 50 50 CDGA O=C(NNC(=O)c1coc(C2CCC2)n1)c1ccncc1 195308472 TUBXUAZAIFPROK-UHFFFAOYSA-N 286.291 1.412 50 50 CDGA Cc1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)[nH]n1 12289938 UANGHAJRGWKBBW-UHFFFAOYSA-N 293.714 1.838 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(B(O)O)c1 169744021 RLWSEMVWIKYUAE-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA O=[N+]([O-])c1ccc(N2CC[C@H](N=C=S)C2)c2nonc12 6862976 CHKCHHTYBXOUKH-ZETCQYMHSA-N 291.292 1.813 50 50 CDGA COc1ccc(B(O)O)cc1O[Si](C)(C)C(C)(C)C 169904609 YENCFJOVWUOWKV-UHFFFAOYSA-N 282.221 1.759 50 50 CDGA in-vitro Cc1nc(CC2CCN(C(=O)CCl)CC2)no1 1119621448 UUFGSKSHKQLKCL-UHFFFAOYSA-N 257.721 1.398 50 50 CDGA O=C(CCl)N1CCO[C@]2(CCc3ccccc32)C1 1875374950 LJJBZZSBUBXCSA-CQSZACIVSA-N 265.740 1.926 50 50 CDGA Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CCl)cn1 1875367924 ZYBDGZQWYDOTSZ-QWRGUYRKSA-N 255.749 1.486 50 50 CDGA NC(=S)NNC(=O)Nc1ccc(Cl)c(Cl)c1 8684587 YQLNXLZJSXZCFX-UHFFFAOYSA-N 279.152 1.863 50 50 CDGA aggregator NNC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 374044 HWOJNBMXKAITPQ-UHFFFAOYSA-N 277.236 1.370 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2c(=O)n(C)cnc2c1 1875369872 NFITZOQZGWOIGF-ZETCQYMHSA-N 265.700 1.499 50 50 CDGA C[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1Cl 169744076 XHZUNPLCZJWTBR-VIFPVBQESA-N 281.548 1.034 50 50 CDGA O=C(CCl)N[C@H]1CCCN(C(=O)N2CCCC2)C1 1875375118 RMFHJMPUTQOUAY-JTQLQIEISA-N 273.764 1.022 50 50 CDGA CSc1ncc(CCNC(=O)[C@@H](F)Cl)cn1 2325820832 LRFPYGIGKZNDLC-SSDOTTSWSA-N 263.725 1.392 50 50 CDGA Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)Cl)C2)n1 1875363443 AMKZVCUJTMZAMQ-GZMMTYOYSA-N 270.764 1.686 50 50 CDGA O=C(N/N=C/c1cccc(O)c1O)C1[C@@H]2CCCC[C@@H]12 100003651 BRFSDZPVUKJWDB-YAGJMYGCSA-N 274.320 1.984 50 50 CDGA Cc1oc(NC(=O)[C@H](F)Cl)c(S(C)(=O)=O)c1C 2325901548 KFWDFGJCNAJQON-ZETCQYMHSA-N 283.708 1.773 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@@H](c2cnn(C)c2)C1 1875380503 QZZXCKXOKDHKDE-NXEZZACHSA-N 255.749 1.753 50 50 CDGA O=C(CCl)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 1875378314 ZKUKEAWIYMCQBM-KGLIPLIRSA-N 296.798 1.224 50 50 CDGA Cc1ccccc1OCC(=O)NNC(=O)C(C)(C)C 1801258 RQTQXNSKNBBVFA-UHFFFAOYSA-N 264.325 1.567 50 50 CDGA CC(C)CSC[Si]12OCCN(CCO1)CCO2 195777766 WQDOWKKNZFZJMQ-UHFFFAOYSA-N 277.462 1.233 50 50 CDGA C/C(CCn1c(=O)sc2ccccc21)=N\NC(N)=O 5282478 YICZWXVUCWLQAP-RIYZIHGNSA-N 278.337 1.497 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccn(CC(F)F)n1 1875366163 XENHRUSPGBSWKU-LURJTMIESA-N 251.664 1.392 50 50 CDGA Cc1c(C)n2c(CBr)c(C)c(=O)n2c1=O 1610863 AHEWZZJEDQVLOP-UHFFFAOYSA-N 271.114 1.017 50 50 CDGA in-vitro Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 299765 AQGHEAFLSZVGEJ-CXUHLZMHSA-N 284.275 1.941 50 50 CDGA COc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 437729 ALVUNPXWGQINIP-QAEAHILHSA-N 284.315 1.879 50 50 CDGA C[C@H](Cl)C(=O)NCc1conc1C(F)(F)F 1875367589 SLWFCKDVRHDHIK-BYPYZUCNSA-N 256.611 1.937 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4898395 RTYSIEMHWCNVQI-XNTDXEJSSA-N 286.291 1.626 50 50 CDGA OB(O)c1cc(Br)c2ccccc2c1F 169745599 MIBHKCPNOCVGJI-UHFFFAOYSA-N 268.878 1.421 50 50 CDGA in-vitro OB(O)c1cc(F)ccc1OCc1ccc(F)cc1 169922550 GXCALMDRDMRRDL-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA C[C@H](Cl)C(=O)N1CC=C(c2ccnn2C)CC1 1875378079 VHZQMLVCZIDBPB-VIFPVBQESA-N 253.733 1.663 50 50 CDGA CS(=O)(=O)N1CCc2cc(C(=O)CCl)ccc21 3407312 AWJIBLWYVHZNLS-UHFFFAOYSA-N 273.741 1.430 50 50 CDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1 2571632 NZRUJEILYHVKFH-VXLYETTFSA-N 299.305 1.706 50 50 CDGA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)Cl)o1 1875380198 IBAPMIXETHLUPZ-XVYDVKMFSA-N 290.726 1.038 50 50 CDGA O=C(NNC(=O)c1ccco1)NC1CCCCC1 2752352 XNHVRMROKTVCFZ-UHFFFAOYSA-N 251.286 1.556 50 50 CDGA C=CCNC(=S)NNC(=O)c1ccc(C)c(Cl)c1 13518685 KQEPTWPTXMDLOC-UHFFFAOYSA-N 283.784 1.943 50 50 CDGA COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C=C1C=O 757175943 OABUGQDTCKJIOL-SNVBAGLBSA-N 269.297 1.499 50 50 CDGA NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O 2387180 WVGQCJDEFYSDJE-UHFFFAOYSA-N 295.383 1.412 50 50 CDGA in-vitro CC(C)NC(=O)NNC(=O)c1ccc(Cl)cc1 3086063 KIDCKXRIYSHQLL-UHFFFAOYSA-N 255.705 1.692 50 50 CDGA NC(=O)N/N=C1\C(=O)c2ccccc2-c2ccccc21 15772701 KCUYOPZUXIMJCI-LGMDPLHJSA-N 265.272 1.922 50 50 CDGA Cc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)cc1 169744169 XHGGMVNNASARLX-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA OB(O)c1c(F)cc(Br)cc1Br 169748126 HZNUDGYZJPJQTD-UHFFFAOYSA-N 297.714 1.031 50 50 CDGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1 437265 UEFXYQKBDYIIMA-MHWRWJLKSA-N 284.275 1.683 50 50 CDGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CC#N 100305668 HEEPQFTYTDOMAD-MHWRWJLKSA-N 258.281 1.421 50 50 CDGA CC(C)c1nnc(CCNC(=O)[C@@H](C)Cl)s1 1875366097 LPJYMJYOAROYRO-SSDOTTSWSA-N 261.778 1.948 50 50 CDGA O=C(CCl)NC1(CO)C2CC3CC(C2)CC1C3 1857785153 PXDLBYNVDQHJCD-UHFFFAOYSA-N 257.761 1.529 50 50 CDGA Cc1noc(C23CC(CN2C(=O)[C@@H](C)Cl)C3)n1 1875366858 NFSHHOFUPJJZDM-DPMICDPTSA-N 255.705 1.453 50 50 CDGA CCN1CCC2(CC1)C(C#N)=C(N)NC(S)=C2C#N 19817768 NZKUESPYXUYLQT-UHFFFAOYSA-N 275.381 1.051 50 50 CDGA NC(=S)NNC(=O)c1ccc(Cc2ccccc2)o1 3156372 BKHGPMAGQGFSBW-UHFFFAOYSA-N 275.333 1.348 50 50 CDGA COc1cc2c(cc1OC)[C@H](NC(=O)CCl)CC2=O 1390596 SGESHEVKSUFROL-SECBINFHSA-N 283.711 1.686 50 50 CDGA Cc1cccc(NC(=O)c2cc(B(O)O)ccc2F)c1C 169744117 MQQFGCROTQIBME-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 1875377696 LDBLECSYVBIZRG-SECBINFHSA-N 296.733 1.709 50 50 CDGA CNNC(=O)C(=O)c1cccc2c1NC(C)(C)C=C2C 2325809512 CZQJMCOJKXTCBT-UHFFFAOYSA-N 273.336 1.727 50 50 CDGA CC(C)COc1cc(OC(F)(F)F)cc(B(O)O)c1 169934221 CJDCUTJVSGONQM-UHFFFAOYSA-N 278.035 1.300 50 50 CDGA in-vitro O=C(Nc1ccccc1)c1ccc(B(O)O)cc1Cl 169744058 RSJUQMMJLXNNEU-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA CCCN(CCC)C(=O)c1ccc(B(O)O)cc1Cl 169744197 BHFGSTKWJKZXNK-UHFFFAOYSA-N 283.564 1.282 50 50 CDGA OB(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 169935294 ARLNSNRYOJMOCB-UHFFFAOYSA-N 283.014 1.573 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)[C@H]1n1cccn1 1875380771 ZFGPVKXHSOWMBC-UKKRHICBSA-N 271.748 1.345 50 50 CDGA OB(O)c1cccc(-c2nnc(-c3cccs3)o2)c1 170002222 JIRLSHYSJMQQDO-UHFFFAOYSA-N 272.094 1.145 50 50 CDGA CC(C)(C)OC(=O)n1ccc2c(B(O)O)cccc21 169748317 JFCFJRCULIWLNL-UHFFFAOYSA-N 261.086 1.104 50 50 CDGA CC(C)(C)OC(=O)N1CCCc2cc(B(O)O)ccc21 169746259 WCXMMFHVJAIPBW-UHFFFAOYSA-N 277.129 1.054 50 50 CDGA in-vitro C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 1875380025 CHAYJTXCNNJZGI-WGBDABJCSA-N 275.776 1.392 50 50 CDGA CN(C[C@]1(O)CCc2ccccc21)C(=O)CCl 1261636647 QWLOKCPWHMVMCY-CYBMUJFWSA-N 253.729 1.518 50 50 CDGA CCCCCCOc1ccc(B(O)O)c(F)c1F 169747864 RCHOIHOUIPPIJY-UHFFFAOYSA-N 258.073 1.604 50 50 CDGA OB(O)c1ccc(OC(F)(F)F)cc1Br 169807028 WRAOUQSLNOJJFK-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA COc1ccc(C=CC=NC(C#N)=C(N)C#N)cc1 2053541978 DYOZTESMEPQUOP-UHFFFAOYSA-N 252.277 1.997 50 50 CDGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccnc1 38808 RERQDENPVRSMPR-AWEZNQCLSA-N 264.288 1.882 50 50 CDGA COc1ccc(CCNC(=O)CCl)cc1OC 1448463 WWBJEBQJHYKQHM-UHFFFAOYSA-N 257.717 1.601 50 50 CDGA biogenic,in-vitro O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2c2c1cccc2[N+](=O)[O-] 254482865 GJFSSZJTVUJQDH-OSTYVCCYSA-N 271.228 1.661 50 50 CDGA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)CCl 1875374648 BQIWWXYOSRTYGC-UWVGGRQHSA-N 259.733 1.212 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccc(Cl)cc1 175456 YLBMXMIRAXVCPQ-OQLLNIDSSA-N 297.811 1.839 50 50 CDGA C[C@@H](NNC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1 432777 KTYXGRPFRLHLAW-ABAIWWIYSA-N 299.330 1.545 50 50 CDGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(F)cc1 2892450 UEODEXSERAXGRL-OVCLIPMQSA-N 265.288 1.191 50 50 CDGA OB(O)c1ccc(C(F)(F)F)c(F)c1Br 616567992 SIWFOEGCHJCANS-UHFFFAOYSA-N 286.815 1.287 50 50 CDGA CCN(Cc1nc(O)c2ccccc2n1)C(=O)CCl 1323270882 YXMSEIQYBKQVAS-UHFFFAOYSA-N 279.727 1.923 50 50 CDGA OB(O)c1cccc(-c2nnc(C3CCCCC3)o2)c1 170002172 DGJDXSAHZSPZNR-UHFFFAOYSA-N 272.113 1.464 50 50 CDGA COc1ccccc1OCc1ccc(C(=O)NN)cc1 370206 LZQWXZYLGVCOMB-UHFFFAOYSA-N 272.304 1.878 50 50 CDGA CCOCCOCCOC(=O)[C@H](C)Br 71783464 PMRVOXXBABVWRM-QMMMGPOBSA-N 269.135 1.366 50 50 CDGA CN(C[C@H]1OCCc2ccccc21)C(=O)CCl 1329863203 PQYCYSHYERHNHQ-GFCCVEGCSA-N 253.729 1.998 50 50 CDGA CCCCN(C(=O)OC(C)(C)C)c1cccc(B(O)O)c1 169988561 PWGLYYWIKQFCSS-UHFFFAOYSA-N 293.172 1.908 50 50 CDGA O=C(NNC(=O)C1CC1)c1ccccc1Br 358527 CCOCEUATQYFYAH-UHFFFAOYSA-N 283.125 1.620 50 50 CDGA Cc1cc(C(=O)NNC(=O)C2CCCCC2)[nH]n1 358717 LSWWGVNOMPICCW-UHFFFAOYSA-N 250.302 1.059 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O)[C@H]1O 170172429 HYSBQWOHQIVUQQ-GMTAPVOTSA-N 260.406 1.643 50 50 CDGA O=C(CCl)N[C@H]1CCCN(Cc2ccccc2)C1=O 1875367702 FWSYJKMCOHQZHM-LBPRGKRZSA-N 280.755 1.533 50 50 CDGA O=C(NCCI)C(F)(F)F 2390973 QFRHEHPVTSCSIH-UHFFFAOYSA-N 266.988 1.100 50 50 CDGA in-vitro COc1ccc(/C=N/NC(=O)c2cc(C)[nH]n2)cc1OC 9353678 PANHKAUKXFNJMQ-OVCLIPMQSA-N 288.307 1.499 50 50 CDGA CC(C)(C)OC(=O)N1CC(NC(=O)CCCCl)C1 72267092 XPXGQRYTYKTFHS-UHFFFAOYSA-N 276.764 1.741 50 50 CDGA O=C(CCl)NCc1cc(Cl)cc(C(=O)O)c1O 5756613 XKTSSODRPLWKRS-UHFFFAOYSA-N 278.091 1.599 50 50 CDGA Cc1ccccc1OCC(=O)N/N=C/c1cccnc1 257387 QGLHPAKUJGYVGU-LICLKQGHSA-N 269.304 1.919 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2 4114701 VIRJJLWLDNHMPB-SNVBAGLBSA-N 258.306 1.998 50 50 CDGA CC(=O)C[C@@H]1C[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@H]34)[C@H]12 254556770 NSZMLCNSHZITQR-LAFJZYIASA-N 260.289 1.349 50 50 CDGA CCCOc1cc(B(O)O)cc(Cl)c1OC(C)C 169964653 GGUNTVAELIRTON-UHFFFAOYSA-N 272.537 1.596 50 50 CDGA O=C(COc1ccccc1)NNC(=O)c1ccc(F)cc1 143350 ZZEOMAYWSHFHDC-UHFFFAOYSA-N 288.278 1.666 50 50 CDGA CCNC(=S)NNC(=O)c1cccc(OCC)c1 4614455 GNMSYSVXJRSNLE-UHFFFAOYSA-N 267.354 1.214 50 50 CDGA CNC(=O)NNC(=O)[C@@H](Nc1ccccc1)C(C)C 1875276375 TYISOTRZIGUCTM-NSHDSACASA-N 264.329 1.083 50 50 CDGA Cc1cc(C2(NC(=O)[C@H](C)Cl)CCOCC2)on1 1875366912 WVHRQZADYVMLLB-VIFPVBQESA-N 272.732 1.732 50 50 CDGA C[C@@H](NC(=O)CCl)C(=O)N1c2ccccc2C[C@H]1C 1875375204 UXZBUQZAICTTBC-NXEZZACHSA-N 280.755 1.708 50 50 CDGA OB(O)c1c(Br)cc(Cl)c(F)c1F 1857781957 YSNUCSVDNQLWNN-UHFFFAOYSA-N 271.253 1.061 50 50 CDGA COc1ccc(C(=O)NN=C2CCN(C)CC2)cc1 197717 KPLLCSGBDBDPDF-UHFFFAOYSA-N 261.325 1.507 50 50 CDGA O=C(CCl)N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875367490 HSIOYYDBYWGUQF-IYSWYEEDSA-N 281.665 1.725 50 50 CDGA COC(=O)[C@H](Br)CCBr 1660103 DQHIGEQXJBMKKY-SCSAIBSYSA-N 259.925 1.708 50 50 CDGA in-vitro COC(=O)[C@H](NC(=O)[C@H](F)Cl)c1cscn1 2325898545 JMMPJWRSPKLXEV-RITPCOANSA-N 266.681 1.008 50 50 CDGA Cn1c(SCC(=O)NN)nnc1-c1cccc(Cl)c1 66324324 RUZOBPXTUXAUNR-UHFFFAOYSA-N 297.771 1.218 50 50 CDGA CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccco1 483917 QKFJKQATYZKZAQ-NSHDSACASA-N 274.276 1.924 50 50 CDGA COc1cc2nc(CCl)[nH]c(=O)c2cc1OC 6476010 JPIPKVHFNPURHB-UHFFFAOYSA-N 254.673 1.679 50 50 CDGA CC(=O)n1cc([C@H]2CC(=O)OC2=O)c2ccccc21 101364748 LBSNTRNLRAPOTM-SNVBAGLBSA-N 257.245 1.859 50 50 CDGA O=C(CCl)N[C@H]1CCN(C2CCCCC2)C1=O 1347178428 NZWNRPXSEFQPHH-JTQLQIEISA-N 258.749 1.275 50 50 CDGA CCNC(=O)/C(C#N)=C/c1ccc(O)c(OCC)c1 289210 DXTDFWGZRUAPAR-YRNVUSSQSA-N 260.293 1.834 50 50 CDGA CN(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1 432907 PCBFIUXFHFMWGB-GZTJUZNOSA-N 268.320 1.912 50 50 CDGA CCOC(=O)C(=O)C(Br)Br 138852729 MNNLKNXLOUVIKS-UHFFFAOYSA-N 273.908 1.235 50 50 CDGA COC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 5679769 SHZTWVHGRXGROH-UHFFFAOYSA-N 256.170 1.957 50 50 CDGA COc1cc(O)ccc1/C=C1/C(=O)ON=C1CCl 34926736 CWWOMHDYWCFIGZ-RUDMXATFSA-N 267.668 1.936 50 50 CDGA O=[N+]([O-])c1cc(F)ccc1Oc1ccc(B(O)O)cc1 169746183 SAOPFWUHFIYTSV-UHFFFAOYSA-N 277.016 1.206 50 50 CDGA in-vitro O=C(N/N=C/c1cccc(O)c1)c1ccc(O)cc1 288575 GRKHMMYFUGCHJW-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA COC[C@@H](NC(=O)[C@@H](C)Cl)c1cccc(C#N)c1 1875367162 UOJSCAFHAPMABC-BXKDBHETSA-N 266.728 1.989 50 50 CDGA NNC(=O)C(Oc1ccccc1)Oc1ccccc1 4956185 MAIJJIZWWCLCSH-UHFFFAOYSA-N 258.277 1.460 50 50 CDGA O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1cccs1 1389956 LYIJHPGIQKJNOE-RKDXNWHRSA-N 294.332 1.176 50 50 CDGA O=C(CCl)NCc1cccc(CO[C@H]2CCOC2)n1 1875389875 DKWUDAYGEFHZQF-LBPRGKRZSA-N 284.743 1.242 50 50 CDGA C[C@@H](NC(=O)CCl)[C@H]1CCCN(C2CCC2)C1 1875377839 OZQWNUVGDHVQON-MNOVXSKESA-N 258.793 1.994 50 50 CDGA CCOC(=O)[C@@H]1C(=S)NC(N)=C(C#N)C12CCCCC2 32872 HNNBLTFWBWTBNH-JTQLQIEISA-N 293.392 1.741 50 50 CDGA CO[C@@H]1COc2ccccc2[C@H]1NC(=O)[C@H](C)Cl 1875380722 XMGVRDMDTKJSFR-XXILOJSOSA-N 269.728 1.879 50 50 CDGA Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@@H](C)Cl 1875363830 BCVPPEOSZAHIIR-ZCFIWIBFSA-N 282.731 1.295 50 50 CDGA COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1 5726557 MBVCXYULNCQUBC-UHFFFAOYSA-N 250.298 1.502 50 50 CDGA Cc1cccc(NC(=O)c2ccc(F)c(B(O)O)c2)c1C 169744336 DKTAYLQVQVKKFV-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA O=C(Nc1ccccc1F)c1ccc(Cl)c(B(O)O)c1 169744536 RTRGIIBASWEHPI-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA CC1(CC(=O)NNC(=O)Nc2ccccc2)OCCCO1 271461 AAQURUJTJUCVCP-UHFFFAOYSA-N 293.323 1.383 50 50 CDGA O=C(N/N=C\c1cccs1)c1n[nH]c2c1CCC2 4946986 RHTNOJVNXRSZGT-QPEQYQDCSA-N 260.322 1.724 50 50 CDGA Cc1nn(C)c(NNC(=O)/C=C/c2ccc(F)cc2)c1C#N 1875349804 NGSJXPYSOMQJRN-VMPITWQZSA-N 299.309 1.896 50 50 CDGA O=C(CCl)N[C@@H]1COc2c(F)cc(F)cc2C1 1120852935 XZVBTRYLUQMEGB-QMMMGPOBSA-N 261.655 1.623 50 50 CDGA O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cnccn1 5033859 WVMAGODKUKYCTR-CHHVJCJISA-N 271.236 1.149 50 50 CDGA CCCCOc1c(F)c(F)c(B(O)O)c(F)c1F 169806953 DXYUAQQPCWNJQX-UHFFFAOYSA-N 265.999 1.102 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccc(O)cc1 6452712 OJQDZTYXOYBNHS-XNTDXEJSSA-N 257.293 1.424 50 50 CDGA NC(=O)NN=C1C(=O)c2ccccc2-c2ccccc21 256304224 KCUYOPZUXIMJCI-UHFFFAOYSA-N 265.272 1.922 50 50 CDGA N#CC1=C(N)N=C(S)[C@H](C(N)=O)C12CCCCC2 457549 AJLLZJJMIYYSEX-QMMMGPOBSA-N 264.354 1.074 50 50 CDGA C[C@]1(C(=O)Nc2ccc(N)nc2)C[C@H]1Br 1616037899 CMWYDICIAGMYDD-XCBNKYQSSA-N 270.130 1.776 50 50 CDGA N#C/C(=C\c1ccc(F)cc1)c1nn(CCO)c(N)c1C#N 4156879 LZIGKAZJDMJQIG-YRNVUSSQSA-N 297.293 1.533 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(C2CC2)n[nH]1 5687491 CHFIHJOTXMMHKA-UHFFFAOYSA-N 295.302 1.373 50 50 CDGA O=C(CCl)OC[C@@H](Br)CBr 1676060 NAXYSIZEOBNAHI-BYPYZUCNSA-N 294.370 1.927 50 50 CDGA CCc1[nH]nc2c1[C@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39325432 MFPPGDLEHQARJH-HNNXBMFYSA-N 285.351 1.022 50 50 CDGA CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)OC(C)(C)C1 239351936 AAROSQYSFKLPQH-NWDGAFQWSA-N 299.415 1.068 50 50 CDGA C[C@H](Cl)C(=O)NC1(C(=O)Nc2ccccc2)CC1 1875378277 YRPYLGQZTVTVIF-VIFPVBQESA-N 266.728 1.901 50 50 CDGA O=C(CCl)NC1(Cn2cccn2)CC(F)(F)C1 1875377138 UBGLHZQSTVLODA-UHFFFAOYSA-N 263.675 1.406 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 146505 UQCXZTVFUKYNEI-UHFFFAOYSA-N 299.286 1.978 50 50 CDGA CCC[C@@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954490 SSQDKXBPYGPIAY-ZIAGYGMSSA-N 281.363 1.674 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1cccc(F)c1 4990389 XMKYMLCBFQZVKX-OQLLNIDSSA-N 281.356 1.325 50 50 CDGA CC(C)(C)[Si](C)(C)OCCOc1ccc(B(O)O)cc1 170019514 JTGHFGRXMHQTRH-UHFFFAOYSA-N 296.248 1.767 50 50 CDGA CO[C@@H](CNC(=O)[C@H](C)Cl)Cc1ccccc1 1875377661 KJCYIZXRPOHQFY-CMPLNLGQSA-N 255.745 1.988 50 50 CDGA O=C(N/N=C/C=N/NC(=O)c1ccco1)c1ccco1 100290655 ZOTVCMCRSPCJGL-ACFHMISVSA-N 274.236 1.004 50 50 CDGA O=C(NNc1nnc[nH]1)[C@H]1C[C@H]1c1c(F)cccc1F 253418718 GNQJCNCEKOCRLY-RQJHMYQMSA-N 279.250 1.330 50 50 CDGA CCO[Si](CCCN1CC=NC1)(OCC)OCC 195756134 NQUOMFKFPJKYPJ-UHFFFAOYSA-N 274.437 1.769 50 50 CDGA CN(C)C(=O)[C@H](CNC(=O)CCl)c1ccccc1 1875379497 RKBOZEAWUJPUKF-LLVKDONJSA-N 268.744 1.213 50 50 CDGA N#C/C(=C\c1cccc(O)c1)C(=O)NC[C@@H]1CCCO1 247131 WVPKVKNZVBVMLR-GMMCIKNFSA-N 272.304 1.594 50 50 CDGA C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCl 1116434610 YPQZRJNPHJXOCV-MRVPVSSYSA-N 290.772 1.092 50 50 CDGA CNC(=S)NNC(=O)c1ccc(C)cc1Cl 106792 OKZLSZWXONLBDX-UHFFFAOYSA-N 257.746 1.387 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)[C@H]1COc2ccccc2O1 197785 AFRGDOJKJVDDIB-GFHWABCWSA-N 298.298 1.682 50 50 CDGA CC/C(C)=N/NC(=O)c1c(O)[nH]c2ccccc2c1=O 5817497 KLZJRKVTJSDVTR-LZYBPNLTSA-N 273.292 1.749 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)C(Cl)(Cl)Cl 2141557 MPTIZHQJSLOLKT-UHFFFAOYSA-N 295.553 1.747 50 50 CDGA [N-]=[N+]=NCCOCCOCCOCCN=C=S 199302535 WGVGUDRBZOFJRC-UHFFFAOYSA-N 260.319 1.449 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 1875366340 CFYRAUWBDJKJOU-GMSGAONNSA-N 295.726 1.523 50 50 CDGA C[C@H](Cl)C(=O)N1CCn2c(C#N)ccc2[C@@H]1C 1875374197 FDFUCPCOBMBNEE-IUCAKERBSA-N 251.717 1.890 50 50 CDGA Cc1cc(B(O)O)cc(C)c1OCc1ccccc1 169747913 CJTSQFDAXDNKNQ-UHFFFAOYSA-N 256.110 1.562 50 50 CDGA in-vitro COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1O 271273 QOIJQHFVEIVOQM-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA CCCCN(CCCC)Cc1cccc(B(O)O)c1 203193174 YGJHHPMAIOOJOM-UHFFFAOYSA-N 263.190 1.769 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1C 569094 GWFMINDUMUFULD-UHFFFAOYSA-N 269.304 1.773 50 50 CDGA COC(=O)[C@H](Br)C(F)(F)Br 8698384 XXFZHIIUXZPTPM-REOHCLBHSA-N 281.878 1.911 50 50 CDGA CCn1ncc(/C=N/NC(=O)COc2ccccc2)c1C 1002234 WZNZPIXBEOUUJG-CXUHLZMHSA-N 286.335 1.741 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1875377204 ASSWVNRSMXEHSU-XVKPBYJWSA-N 257.692 1.873 50 50 CDGA C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 205370204 SXIZAWOJSBRZDS-GARJFASQSA-N 280.755 1.421 50 50 CDGA CN(C)C(=O)CN(C(=O)[C@@H](F)Cl)c1ccccc1 2325901349 AFQLWCNYIOWZPH-LLVKDONJSA-N 272.707 1.642 50 50 CDGA Cc1ccsc1/C=N/NC(=O)Cc1c(O)n[nH]c1C 9332922 IAZNWAFRPNRJIS-AWNIVKPZSA-N 278.337 1.486 50 50 CDGA CC(C)=NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100658374 GVTGAKWSEOPCKZ-UHFFFAOYSA-N 273.292 1.370 50 50 CDGA COC(=O)[C@H]1[C@@H]2C[C@@H](Br)[C@@H]1CC21OCCO1 257357653 PEARVLKVUHDRMM-RBXMUDONSA-N 291.141 1.322 50 50 CDGA C[C@@](NC(=O)CCl)(C(N)=O)c1cccc(Cl)c1 1336910753 ZWYIFCSOZLTFMU-NSHDSACASA-N 275.135 1.396 50 50 CDGA COC(=O)c1sc(NC(=O)CCl)c(C#N)c1C 5677930 HYXCGWYPQIJAHJ-UHFFFAOYSA-N 272.713 1.892 50 50 CDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@H]2C1 13471572 LKMRYQWWCVEQNG-ZWNOBZJWSA-N 267.336 1.284 50 50 CDGA Cc1ccccc1NC(=O)c1ccc(Cl)c(B(O)O)c1 169744580 FNBSKWAKHIKIJI-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)[C@@H]2O)c1cccs1 2325804919 CQOKQLCTGBJXNX-QUTAIBBBSA-N 294.376 1.306 50 50 CDGA Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCCO2)c1 199725 UGANQWZDGQKBRI-ZDUSSCGKSA-N 292.335 1.009 50 50 CDGA C/C(=N/NC(=O)c1ccncc1)c1ccc(O)c(C(N)=O)c1 254676 LXJJMEQWCCOXJL-NVMNQCDNSA-N 298.302 1.040 50 50 CDGA Cc1cc(C(=O)NN)n(Cc2ccc(Cl)cc2)n1 2520651 NVZRRRAETTVZMG-UHFFFAOYSA-N 264.716 1.497 50 50 CDGA NC(=O)NNc1ncc(C(F)(F)F)cc1Cl 1389314 HFIBUGKYTDFONQ-UHFFFAOYSA-N 254.599 1.749 50 50 CDGA C[C@@H](Cl)C(=O)N(C)[C@@H]1CCN(c2ccncc2)C1 1875369916 PUERFTIAAWLAHC-ZYHUDNBSSA-N 267.760 1.746 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccn1 232297 OIZIHGXUWCTGBP-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Cl)c1 19737265 MFEMBWXBVABUFJ-ZETCQYMHSA-N 299.710 1.826 50 50 CDGA O=C(CCCC[C@H]1CCSS1)N1CC(O)C1 156191619 HAGJQJBQVUTSFN-JTQLQIEISA-N 261.412 1.904 50 50 CDGA O=C(NNC(=O)C1CC1)c1nc(C2CC2)n2ccccc12 1875256309 CSKDWKBYTSTLFV-UHFFFAOYSA-N 284.319 1.383 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 1875376301 RSTLOWDRUZVHHN-ZKYQVNSYSA-N 267.756 1.896 50 50 CDGA O=C(CCl)N1CC[C@@H](c2nc(C3CC3)no2)C1 1875368975 UMLBWZYGJQSTIS-MRVPVSSYSA-N 255.705 1.502 50 50 CDGA CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)OCO2 84445 IYPIKAMTZQDLFB-VQHVLOKHSA-N 260.249 1.798 50 50 CDGA NNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 2571599 WDFVVZLFMBOXLU-NSHDSACASA-N 267.760 1.542 50 50 CDGA CCCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(F)c1 170002596 LGSARWFLWPUWNR-UHFFFAOYSA-N 297.135 1.657 50 50 CDGA CN(C)c1ccc(CNC(=O)CBr)cc1 82510893 APDCVMUYEWDRIT-UHFFFAOYSA-N 271.158 1.764 50 50 CDGA Cc1cccn2cc(CCNC(=O)[C@H](C)Cl)nc12 1875364126 FFEZVSWVXRTEJH-JTQLQIEISA-N 265.744 1.929 50 50 CDGA O=C1CCN(C(=O)CCl)C[C@@H]1Cc1ccccc1 1875374662 BWYCVLWOEDJXGV-LBPRGKRZSA-N 265.740 1.886 50 50 CDGA Cn1nnc(CN(C(=O)CCl)C2CCCCCCC2)n1 1875381758 GTOROXHERNKQBU-UHFFFAOYSA-N 299.806 1.890 50 50 CDGA O=C(CCl)NC[C@H]1CC(=O)c2ccccc2O1 1335465117 LNOYPJYMHSOKEL-MRVPVSSYSA-N 253.685 1.375 50 50 CDGA CCn1nnc(C)c1CN1CCSSCC1 1616027218 HMTZWXPCVPBMQV-UHFFFAOYSA-N 258.416 1.803 50 50 CDGA CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 16189234 JEMUXHVQJNSJRD-MNDPQUGUSA-N 293.326 1.726 50 50 CDGA C[C@@H]1CC[C@@H](CC(=O)NNC(=O)c2ccccn2)OC1 2325796241 CKGBXFQUHVNFGM-MNOVXSKESA-N 277.324 1.048 50 50 CDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccco1 436206 NPFBIORRXQEGRG-UHFFFAOYSA-N 278.695 1.937 50 50 CDGA NNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 2732107 CUZIXAGEHDEXSU-LLVKDONJSA-N 251.305 1.028 50 50 CDGA Cc1ccc(B(O)O)cc1NC(=O)OC(C)(C)C 169745384 RUPLVISWFCBMCR-UHFFFAOYSA-N 251.091 1.022 50 50 CDGA in-vitro O=C(Nc1cccc(Cl)c1)c1cc(B(O)O)ccc1F 169744234 QIBYAGMQWZOXEJ-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCC2 4518169 PVAGPCIYFIHUEG-OVCLIPMQSA-N 299.290 1.571 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(CC2CCCC2)C(=O)C1 1875377641 JOPKUTHHSVDLDT-JTQLQIEISA-N 272.776 1.475 50 50 CDGA Cc1ccc(OCC(=O)NNC(=O)C2CC2)c(C)c1 498539 GDQDROXXTPBHEA-UHFFFAOYSA-N 262.309 1.240 50 50 CDGA O=C1O[C@@H]2[C@H](I)[C@H]3C[C@H]2[C@]1(Cl)C3 197183481 DBMISACUZNCQEU-JDSYOCTRSA-N 298.507 1.733 50 50 CDGA O=C(CCl)N[C@H]1CCS(=O)(=O)c2ccccc21 1875363626 OCYPHLPRTQZWGO-VIFPVBQESA-N 273.741 1.260 50 50 CDGA O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)CCl 1875374650 BQIWWXYOSRTYGC-ZJUUUORDSA-N 259.733 1.212 50 50 CDGA CC(C)c1cc(O)nc(N2CC[C@H](NC(=O)CCl)C2)n1 1875377176 ANXGADLORMZURW-VIFPVBQESA-N 298.774 1.239 50 50 CDGA Cc1ccc(OCc2ccc(C(=O)NN)o2)c([N+](=O)[O-])c1 135540 BIJRFEXFCDQNRB-UHFFFAOYSA-N 291.263 1.679 50 50 CDGA CC(=O)[C@@H]1C=C[C@H](c2ccccc2)[C@@H]2C(=O)OC(=O)[C@H]21 252428252 VVSZEDVVBWRLRF-CRWXNKLISA-N 270.284 1.861 50 50 CDGA CC(C)[C@H](NC[C@@H]1[C@H](C)[C@@H]1Cl)c1nncn1C 585136372 CNLTYGNSFQNXTK-VLEAKVRGSA-N 256.781 1.975 50 50 CDGA C[C@H](Cl)C(=O)NCCc1nnc2n1CCCCC2 1875364217 JWGXSFMRSBILAA-VIFPVBQESA-N 270.764 1.291 50 50 CDGA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCCCl 583651880 UNTNHNYRIHFOAU-QMMMGPOBSA-N 294.804 1.771 50 50 CDGA CO[Si](OC)(OC)[C@H](CNCCN)Cc1ccccc1 169747142 WVXRXDRLELTNIS-AWEZNQCLSA-N 298.459 1.026 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 32551086 WNWHVQRUCQSWIO-LBPRGKRZSA-N 297.274 1.845 50 50 CDGA C[C@H](Cl)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1875366973 YSGDPPZTYZZSPU-INTQDDNPSA-N 296.758 1.410 50 50 CDGA O=C(CCl)N1CCC[S@@](=O)c2ccccc21 1776007167 VJZSIBYVLWCUBH-MRXNPFEDSA-N 257.742 1.770 50 50 CDGA Cc1ccc(N2CC[C@H](NC(=O)CCl)C2=O)cc1 1323269461 LVPADNQLOKFTNW-NSHDSACASA-N 266.728 1.455 50 50 CDGA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCl 1875377420 DJEDSSAZLASQGE-ZFWWWQNUSA-N 296.798 1.756 50 50 CDGA CCN(CC)C(=O)C(=O)N/N=C/c1cccs1 2892222 KZMLKMMGCXDMIM-XYOKQWHBSA-N 253.327 1.067 50 50 CDGA CSc1ncc(CCNC(=O)[C@H](F)Cl)cn1 2325820833 LRFPYGIGKZNDLC-ZETCQYMHSA-N 263.725 1.392 50 50 CDGA Cc1nnc([C@H](NC(=O)CCl)c2ccccc2)n1C 1875364701 QVNOWNVIXAEKGO-GFCCVEGCSA-N 278.743 1.568 50 50 CDGA CCOC(=O)C(C#N)=Cc1ccc2c(c1)OCCO2 1857777534 OTQYDABPNKJUFH-UHFFFAOYSA-N 259.261 1.928 50 50 CDGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccncc1 1960347 DROBBAOUJNKWAZ-LDADJPATSA-N 296.330 1.951 50 50 CDGA C[C@@H](Br)C(=O)NCc1ccc2c(c1)OCO2 41723598 HHIWRVIQPSDYKG-SSDOTTSWSA-N 286.125 1.815 50 50 CDGA O=C(CCl)N[C@H]1CCCS(=O)(=O)c2ccccc21 1875389752 OKWOIHBNUKFXPC-JTQLQIEISA-N 287.768 1.650 50 50 CDGA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cl 1875367493 HULRSFPWCHUDNA-JBLDHEPKSA-N 285.775 1.724 50 50 CDGA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cl 1875367494 HULRSFPWCHUDNA-JFGNBEQYSA-N 285.775 1.724 50 50 CDGA C[C@H](NC(=O)CCl)c1ccc2c(c1)CC(=O)N2C 1324707504 WNTPNDXUAJPFNU-QMMMGPOBSA-N 266.728 1.622 50 50 CDGA C[C@H](Cl)C(=O)NCc1cc(Br)no1 718876256 CEQUIINVOMXUGT-BYPYZUCNSA-N 267.510 1.681 50 50 CDGA Cc1cnc2[nH]cc(CCNC(=O)CCl)c2c1 1875367697 FMXHXBUOBDOIHK-UHFFFAOYSA-N 251.717 1.769 50 50 CDGA O=C(CNc1ccccc1)N/N=C/c1cccc(O)c1 434258 OYNQNQQDTSLYEG-LICLKQGHSA-N 269.304 1.954 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)c1cc(C2CC2)n[nH]1 9375080 GHOCOWBTHABFQD-OVCLIPMQSA-N 270.292 1.757 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1875376206 OTSLFZPJCGGWSD-ZETCQYMHSA-N 252.701 1.771 50 50 CDGA C[C@H](Cl)C(=O)NCCN1C[C@@H]2CCCCN2C1=O 1875366516 RBBFGFBFBQPNKR-UWVGGRQHSA-N 273.764 1.020 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1875367042 QJGQEWOCHOPCOE-BDAKNGLRSA-N 279.789 1.230 50 50 CDGA CC[C@@H](C(=O)NNc1ccc(F)cc1)C(=O)OC 276524440 FYZZWLOGXVWDOJ-JTQLQIEISA-N 254.261 1.468 50 50 CDGA Cn1c(=O)n(CCBr)c2ccccc21 233350 IKHNDEJDZBDUPM-UHFFFAOYSA-N 255.115 1.735 50 50 CDGA O=C(N/N=C/c1ccccn1)c1cccc([N+](=O)[O-])c1 262752 BDIPDGBKQLKZNG-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA Cc1c(NC=C(C#N)C#N)c(=O)n(-c2ccccc2)n1C 364302 OCMAGIOHDBXKIK-UHFFFAOYSA-N 279.303 1.827 50 50 CDGA CC(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 2551976 CCMBNHCSLOIAQG-UHFFFAOYSA-N 293.392 1.640 50 50 CDGA O=C(COc1ccccc1)N/N=C/c1ccc(O)cc1 175108 QZLMOWVYULJSJT-MHWRWJLKSA-N 270.288 1.921 50 50 CDGA [O-][n+]1ccccc1SSc1cccc[n+]1[O-] 1751811 ZHDBTKPXEJDTTQ-UHFFFAOYSA-N 252.320 1.753 50 50 CDGA world O=C(N/N=C/c1cccc(O)c1O)c1ccccc1O 65274 GZBFTEUFUFKVOD-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA CCOC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2851845 AHPIBRJZWAPWIT-UHFFFAOYSA-N 268.229 1.377 50 50 CDGA CCOC(=O)N/N=C1\C(=O)Nc2ccc(OC)cc21 6499497 JTGSINFTUZBSBC-UHFFFAOYSA-N 263.253 1.098 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(F)cc1 100557105 BDHLMZGPGPDRFZ-WIJRQFRKSA-N 290.298 1.178 50 50 CDGA OB(O)c1ccc(OCCCNC2CCCCC2)c(F)c1 514260580 ZJIBDEKSJARDAO-UHFFFAOYSA-N 295.163 1.197 50 50 CDGA O=C(CCl)N[C@@]1(CO)CCCN(Cc2ccccc2)C1 1875374961 LYFPDUHWDIZOEA-HNNXBMFYSA-N 296.798 1.369 50 50 CDGA C[C@@H](Oc1ccccc1Br)C(=O)NN 276170 UXLYTCHXUSOFKE-ZCFIWIBFSA-N 259.103 1.206 50 50 CDGA CCn1c(SCC(=O)NN)nc2ccccc21 445785 NRJNEXPSNGEEHN-UHFFFAOYSA-N 250.327 1.138 50 50 CDGA CCOC(=O)/C(C#N)=C\Nc1n[nH]c2ccccc12 217039440 VRJCKTVRFLEWSL-HJWRWDBZSA-N 256.265 1.945 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1[C@@H]3[C@H]4[C@H]5[C@H]3[C@@]13CCCC[C@]53[C@@H]24 254381806 OCGKLAPJHREOCD-XOBVJUJASA-N 256.301 1.614 50 50 CDGA CN(C[C@@]1(O)CCc2ccccc21)C(=O)CCl 1261636648 QWLOKCPWHMVMCY-ZDUSSCGKSA-N 253.729 1.518 50 50 CDGA CCOC(=O)C(C#N)=Cc1ccc(C(=O)OC)cc1 1857777522 BGVOMAWEAKULOV-UHFFFAOYSA-N 259.261 1.943 50 50 CDGA C[n+]1c(/C=N/NC(=O)c2ccc(N)cc2)cn2ccccc21 337563 FKMZSCKQPORJIN-VCHYOVAHSA-O 294.338 1.110 50 50 CDGA O=C(N/N=C/c1ccccc1O)C(=O)N1CCCCCC1 2915422 IOQRILSKLGDOTK-LFIBNONCSA-N 289.335 1.245 50 50 CDGA O=C1OC(=O)[C@@H]2C3c4ccccc4C(O)(c4ccccc43)[C@@H]12 100814137 LNMNOCUGQYJRRK-NWPKHEMWSA-N 292.290 1.697 50 50 CDGA CC(C)(C)OC(=O)NNC(=O)C(C)(C)CCCCN 263619724 GLCJRKMYOLWPLL-UHFFFAOYSA-N 273.377 1.698 50 50 CDGA C[C@@]12CC3CC(C(=O)NNC(N)=O)(C1)C[C@](C)(C3)C2 16134129 WXOVAVXCJROWQY-HJHQOWQESA-N 265.357 1.683 50 50 CDGA O=C(O)CNC(=O)[C@H](Br)Cc1ccccc1 1635535 FESBQYCWHVWWCV-SECBINFHSA-N 286.125 1.193 50 50 CDGA CCCNC(=O)NNC(=S)Nc1ccccc1C 2167680 QZQUOKSVZHWPEC-UHFFFAOYSA-N 266.370 1.906 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1CO[C@H]2c2cccc([N+](=O)[O-])c21 254850457 AEKDKATZWIHCHJ-HTCUVTCBSA-N 275.216 1.079 50 50 CDGA Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)Cl)C2)n1 1875363446 AMKZVCUJTMZAMQ-LDYMZIIASA-N 270.764 1.686 50 50 CDGA CCOc1c(Cl)cc(B(O)O)cc1OC(C)C 169964630 VYXJMDFAZNTZEA-UHFFFAOYSA-N 258.510 1.206 50 50 CDGA CCOC(=O)Cc1[nH]nc2c1[C@@H](C(C)C)C(C#N)=C(N)O2 523330 HYVVVFICTZQQKF-NSHDSACASA-N 290.323 1.341 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1O 2901830 IZHWUQGNICKCJL-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA CCCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4685291 GSBZMZQCPPJDRM-UHFFFAOYSA-N 268.229 1.746 50 50 CDGA CCOC(=O)/C(C#N)=C(\O)c1ccc([N+](=O)[O-])cc1 100499158 UVPZORDOIJHCPK-KHPPLWFESA-N 262.221 1.951 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2F)cc1F 169744686 IGVVWQKWYULEDD-UHFFFAOYSA-N 291.062 1.205 50 50 CDGA COC(=O)[C@@](O)(CBr)c1ccccc1 200193382 MUURPDGZFXFWQI-SNVBAGLBSA-N 259.099 1.442 50 50 CDGA O=C(CCl)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 95918043 CHFJCCPCGKVJHM-UHFFFAOYSA-N 275.604 1.386 50 50 CDGA CC1CCN(Cc2cc(B(O)O)ccc2Cl)CC1 230548131 ZXCAVYJGYISBPN-UHFFFAOYSA-N 267.565 1.252 50 50 CDGA Cc1cccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)c1 169744483 JLGOGKWJOYHMIM-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 536057 RGHBSQSJDPVKRN-UHFFFAOYSA-N 271.107 1.987 50 50 CDGA COc1ccc(/C=C\C=N\C(C#N)=C(/N)C#N)cc1 110982416 DYOZTESMEPQUOP-NCMACDFCSA-N 252.277 1.997 50 50 CDGA OB(O)c1ccccc1OCc1cccc(Cl)c1 169877182 CYKRFBRLRUNSDG-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CCCO1 1212403 APBJXYXKOLBZPA-NSHDSACASA-N 298.726 1.045 50 50 CDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(Cl)cc1 100609593 XVAKTUNBZPUHLI-LBMJDHPKSA-N 292.726 1.302 50 50 CDGA ClCc1nnc(C2CCN(c3ncccn3)CC2)o1 141836993 QSPQATBYDMGLSY-UHFFFAOYSA-N 279.731 1.982 50 50 CDGA O=C(CCl)NC[C@@H]1CC(=O)N(c2ccccc2)C1 1875368001 IDMGBDGWTLVQHZ-JTQLQIEISA-N 266.728 1.395 50 50 CDGA O=C(Nc1ccccc1Cl)c1cc(B(O)O)ccc1F 169744131 WVKIBWQZYSPCSY-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA in-vitro COc1ccc(/C=N\NC(=O)c2cc(C)n[nH]2)c(OC)c1 15636164 LKMJMLRVCDXJCB-NVNXTCNLSA-N 288.307 1.499 50 50 CDGA CC[C@@]1(C(Br)Br)NC(=O)NC1=O 2164299 FUDKLRUVLUCQPH-LURJTMIESA-N 299.950 1.091 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@]2(C(=O)Nc2ccccc2)CC1 670432229 KTDXWUFTHSEOND-JCKZUZKGSA-N 297.310 1.907 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1875377924 RJSPNPHTLJVVMH-QMMMGPOBSA-N 266.728 1.881 50 50 CDGA COc1ccc(OC)c(/C=N/NC(=O)c2ccccn2)c1 227881 BTVHXIMZMVXFTR-LICLKQGHSA-N 285.303 1.863 50 50 CDGA CCCCOc1ccc(B(O)O)c(OCCCC)c1 169747614 RZGMDQYKUFKOMM-UHFFFAOYSA-N 266.146 1.724 50 50 CDGA CC(C)(C)C(=O)NNC(=O)c1ccc2nc[nH]c2c1F 1262152928 LTCBQXHJTSMAPY-UHFFFAOYSA-N 278.287 1.509 50 50 CDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1O 2566317 HABQHAKOVWKEJI-LICLKQGHSA-N 297.314 1.789 50 50 CDGA CCc1ccc(/C=N/NC(=O)CN2CCSCC2)cc1 4832329 UFYZFJPOPOZWCT-LFIBNONCSA-N 291.420 1.748 50 50 CDGA CC(=O)Nc1ccc(CNC(=O)CCl)c(C)c1 104766333 WPNQPGBGRVIILG-UHFFFAOYSA-N 254.717 1.808 50 50 CDGA C[C@@H](Cl)C(=O)NC1(C(=O)Nc2ccccc2)CC1 1875378276 YRPYLGQZTVTVIF-SECBINFHSA-N 266.728 1.901 50 50 CDGA Cc1ocnc1C(=O)NNC(=O)C(C)(C)c1cnsc1 2325791976 OGXQXNLAMJXHRX-UHFFFAOYSA-N 294.336 1.178 50 50 CDGA CNC(=S)NNC(=O)Nc1ccc(C)c(Cl)c1 3086227 YZRMXSVRBGZEHQ-UHFFFAOYSA-N 272.761 1.779 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cn3ccncc3n2)cc1 43761222 AQNSUZDMFQWUMP-CAOOACKPSA-N 295.302 1.502 50 50 CDGA O=C(CCl)NC[C@@H]1CCS(=O)(=O)c2ccccc21 1875366893 USTMWFMFULBPGI-VIFPVBQESA-N 287.768 1.303 50 50 CDGA O=C1Nc2ccc(F)cc2/C1=N\NC(=O)c1cccnc1 16671734 CYAHRSASGLVWPD-UHFFFAOYSA-N 284.250 1.307 50 50 CDGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 290742 MDJVHOUBMQIQCS-UHFFFAOYSA-N 285.259 1.670 50 50 CDGA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN 1733335 GHSCWLGHLYTNJH-NSHDSACASA-N 279.340 1.112 50 50 CDGA COc1ccccc1N1CCN(C(=O)CCl)CC1 3888899 BEWLHPLOBQBASL-UHFFFAOYSA-N 268.744 1.583 50 50 CDGA O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(B(O)O)c1 169744592 ZAPGQKKPFLYJJR-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cc1[nH]nc2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2 585145666 TUIFNSAFXXDZGN-HNNXBMFYSA-N 292.302 1.076 50 50 CDGA O=C(NNC(=S)NC(=O)C1CCC1)c1ccccc1 1616032614 VISSAJNRXPQFOD-UHFFFAOYSA-N 277.349 1.122 50 50 CDGA COCc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2 19852405 WNXWUQRVNFZHIJ-UHFFFAOYSA-N 292.364 1.407 50 50 CDGA Cc1[nH]nc2c1[C@]1(C[C@@H](C)N(C)C[C@@H]1C)C(C#N)=C(N)O2 4453440 XOMRCAYPPKIJTK-QQXLSSBLSA-N 287.367 1.402 50 50 CDGA C[C@@]1(C(=O)Nc2ccc(N)nc2)C[C@@H]1Br 1616037898 CMWYDICIAGMYDD-OIBJUYFYSA-N 270.130 1.776 50 50 CDGA O=C(N[C@H](O)C(Cl)(Cl)Cl)C(Cl)Cl 2674947 YOEMHTGJWPMTRK-GSVOUGTGSA-N 275.346 1.595 50 50 CDGA OB(O)c1ccc(-c2noc(C3CCCCC3)n2)cc1 170002176 TUSIMSJLXSNUEI-UHFFFAOYSA-N 272.113 1.464 50 50 CDGA CCCN1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@H]2C#N 20026633 YIZCXSNPUQOUPP-SNVBAGLBSA-N 290.392 1.413 50 50 CDGA Cc1cccc2c1CCN2C(=O)C(=O)NNc1ccncc1 132470778 SQXKJRKWAVEPPU-UHFFFAOYSA-N 296.330 1.422 50 50 CDGA CCOc1cccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 5817680 LDFCYQTWTFCGOH-OVCLIPMQSA-N 288.307 1.586 50 50 CDGA OB(O)c1cc(Br)cc(OC(F)(F)F)c1 169748110 MRIQPQPZRLURMR-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA Cc1ccc(NC(=O)c2cc(B(O)O)ccc2F)cc1 169744401 ZBHFKQPACRWNAG-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA Cc1c(Cl)cccc1NC(=O)c1cccc(B(O)O)c1 169903799 DRMRZGMHJMZALJ-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA O=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCC1 2892226 FDXMQRNMJVMXBZ-LDADJPATSA-N 295.342 1.912 50 50 CDGA CC(C)(C)OC(=O)N1CCN(CCBr)CC1 21984961 IWSFZKCIZFXAFT-UHFFFAOYSA-N 293.205 1.934 50 50 CDGA O=C(NNc1ncccc1[N+](=O)[O-])c1ccc2cc[nH]c2n1 782850997 GQZWCJQYZXKBPQ-UHFFFAOYSA-N 298.262 1.623 50 50 CDGA COC(=O)N/N=C\c1cc2c(cc1Cl)OCO2 5092439 XDVYUOMMPQICBY-QCDXTXTGSA-N 256.645 1.759 50 50 CDGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(O)c1)C(C#N)=C(N)O2 187813 KADZEDCIHBQXHS-CYBMUJFWSA-N 296.282 1.872 50 50 CDGA COC(=O)c1ccc(CN(C)C(=O)CCl)nc1 1875389928 PXKNBFQWNBFWPF-UHFFFAOYSA-N 256.689 1.065 50 50 CDGA C[C@@H](Sc1nc2ccccc2s1)C(=O)NN 2390829 VOGBLLDTRYGTIG-ZCFIWIBFSA-N 253.352 1.767 50 50 CDGA O=C(Cl)C1=CN2C=CC=C(Br)[C@@H]2N1 255187742 GMWPQYIWUKYZPS-MRVPVSSYSA-N 261.506 1.631 50 50 CDGA O=C(CCl)NCCn1cc(Cl)c(C(F)(F)F)n1 1875374203 FKDDJOUUQYPZDP-UHFFFAOYSA-N 290.072 1.910 50 50 CDGA O=C(C[n+]1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1 31949269 RRQAPCJNZLITJQ-GDNBJRDFSA-O 285.283 1.033 50 50 CDGA CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]21 254429096 TUUZZRNQKSTHBQ-UCROKIRRSA-N 296.990 1.764 50 50 CDGA C[C@H](Cl)C(=O)N(C)Cc1cnc(N(C)C)nc1 1875366478 NHCQNAOTWYWJCO-QMMMGPOBSA-N 256.737 1.128 50 50 CDGA CC(=O)Oc1c(/C=C(\C#N)C(N)=O)[nH]c2ccccc12 448118 QFVXKZBTQCPOHP-RMKNXTFCSA-N 269.260 1.485 50 50 CDGA CC(=O)/C(C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 2325809479 ABRRBYQFUBFDQF-MDWZMJQESA-N 263.253 1.218 50 50 CDGA O=C(O[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccccc1 4158941 SZDZBVCLTQMPQC-ZJUUUORDSA-N 274.725 1.248 50 50 CDGA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCl 1324707044 UBNUXLZHCKMJNJ-SNVBAGLBSA-N 270.716 1.126 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(O)cc1 83936 AXKPKYGJWCOLJW-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA O=C(Nc1ccccc1F)c1ccc(B(O)O)c(Cl)c1 169744531 WVOJPUHNPHZCNF-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA O=C(CBr)Oc1ccc([N+](=O)[O-])cc1 1579448 HVNXGOPARVAZNX-UHFFFAOYSA-N 260.043 1.895 50 50 CDGA NNC(=O)COc1ccc2cc(Br)ccc2c1 2561784 NXMKDILUCRKBST-UHFFFAOYSA-N 295.136 1.971 50 50 CDGA O=C1Cn2c(nc3ccccc32)[P@](=O)(c2ccccc2)N1 100713391 DLIRLFGOSLMGMU-OAQYLSRUSA-N 297.254 1.395 50 50 CDGA Cc1cccc(N2CC[C@H](NC(=O)CCl)C2=O)c1 1875367669 BQNQRIMWKLJXFB-NSHDSACASA-N 266.728 1.455 50 50 CDGA C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)CCl 1875375023 OLBAAZMLNGZQFL-YFKPBYRVSA-N 282.653 1.439 50 50 CDGA C[C@@H](Cl)C(=O)N(C)Cc1ncnn1CC(F)F 1875366565 XRWIGLRRZGYMNI-ZCFIWIBFSA-N 266.679 1.129 50 50 CDGA C[C@H](Cl)C(=O)N1CCc2nnc(N(C)C)cc2C1 1875363875 CDFXGCOGCVZRSP-QMMMGPOBSA-N 268.748 1.055 50 50 CDGA CCOC(=O)/C(C#N)=C1/C=CC(N2CCCCC2)=NN1 191954 MUPZJTIRXMJJAV-QXMHVHEDSA-N 274.324 1.286 50 50 CDGA Cc1ccc(OCC(=O)N/N=C\c2ccc[nH]2)cc1 31870554 GPLHRZNOGBNCGI-SXGWCWSVSA-N 257.293 1.852 50 50 CDGA C[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)CCl 1875375022 OLBAAZMLNGZQFL-RXMQYKEDSA-N 282.653 1.439 50 50 CDGA CC(C)c1nc([C@@H]2CN(C(=O)[C@H](C)Cl)CCO2)no1 1875380540 RRWDKZKHNNEDLC-IUCAKERBSA-N 287.747 1.720 50 50 CDGA CCCCOc1cc(B(O)O)cc(Cl)c1OCC 169964637 ZTXOESSTRWYJPQ-UHFFFAOYSA-N 272.537 1.597 50 50 CDGA CC(C)(C)C(=O)NNC(=O)COc1ccc(Cl)cc1 4946045 FYVPSKRHNDVHGV-UHFFFAOYSA-N 284.743 1.912 50 50 CDGA CC(=O)NCc1ccc([C@H]2CCCN2C(=O)CCl)o1 1875377698 LDYNSOKOROAYNQ-LLVKDONJSA-N 284.743 1.818 50 50 CDGA C[C@H](Cl)C(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1 1875377528 GKAPQGMSTYXGJJ-CABZTGNLSA-N 266.728 1.613 50 50 CDGA CO[C@@H]1COc2ccccc2[C@@H]1NC(=O)CCl 1875369019 MXDSRZNQUFSDEL-PWSUYJOCSA-N 255.701 1.490 50 50 CDGA Cc1ccccc1-c1nc(CNC(=O)CCl)no1 1875378330 ZWXLBZPZXMQZSB-UHFFFAOYSA-N 265.700 1.900 50 50 CDGA C[C@@H](Cl)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 1875363577 KCOPLIMKZJACBU-SCZZXKLOSA-N 266.728 1.856 50 50 CDGA OB(O)c1ccc(OCc2ccccc2)cc1Cl 169844683 DSJZHUNYMXRAJG-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA O=C([C@H]1CSCN1C(=O)CCl)N1CCCCC1 1875363831 BGCPDCSOZYCHLJ-SECBINFHSA-N 276.789 1.139 50 50 CDGA C[C@H](Cl)C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 1875379969 ASDIRSJDMYTPSX-KLBPJQLPSA-N 261.749 1.409 50 50 CDGA C[C@H](Cl)C(=O)NCCc1noc(-c2ccccn2)n1 1875363917 DNHWYEMBICSINP-QMMMGPOBSA-N 280.715 1.418 50 50 CDGA O=C(N/N=C/c1cccnc1)c1ccccc1[N+](=O)[O-] 252812 BXYKVVNZXJZQTH-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA CCOC(=O)NNC(=O)Nc1ccc(C(C)=O)cc1 2855602 HDFXFDAHZVATMJ-UHFFFAOYSA-N 265.269 1.672 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2c1CCC2 8903697 LQPBEKLYWRMPRD-OVCLIPMQSA-N 270.292 1.368 50 50 CDGA CCO[Si](OCC)(OCC)c1ccc2c(c1)OCO2 195968944 LOHILPNONPGNRR-UHFFFAOYSA-N 284.384 1.671 50 50 CDGA CN1CCN(c2ccc(F)cc2CNC(=O)CCl)CC1 1875363589 KXWAABKNQDRGFA-UHFFFAOYSA-N 299.777 1.433 50 50 CDGA C[C@H](Cl)C(=O)Nc1cc(C(N)=O)cc2cccnc12 1875380462 PQMKXNHGPSULJQ-ZETCQYMHSA-N 277.711 1.900 50 50 CDGA Cc1ccccc1NC(=O)c1ccc(B(O)O)cc1Cl 169744113 XNIXICMNEGTKLY-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA O=C(N=c1ccn([C@@H]2CC2(F)F)[nH]1)[C@H](F)Cl 2325898438 CDYVKDAKJRRIDC-XINAWCOVSA-N 253.611 1.358 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)C1CCCCC1 512432 UTKPMBCQMBRMAC-UHFFFAOYSA-N 260.337 1.957 50 50 CDGA O=C(CCl)N[C@@H]1CC[C@H](Oc2ccncc2)C1 1875376819 JMZCYCFOPNLYKP-KOLCDFICSA-N 254.717 1.737 50 50 CDGA CN(CC(=O)Cl)c1ccc([N+](=O)[O-])c2nonc12 44075740 BLKGIXBLRWZLKS-UHFFFAOYSA-N 270.632 1.333 50 50 CDGA in-vitro O=C(Nc1cccc(Cl)c1)c1ccc(B(O)O)cc1F 169744105 RXQCOEZMULZGCQ-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cn1ncc(C2CCC2)c1/C=N/NC(=O)CC1CC1 2325756813 QLYGRBIZGOLUFO-OQLLNIDSSA-N 260.341 1.938 50 50 CDGA C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN(C)CC 253417389 WJEFZIGSAZAXDC-NSHDSACASA-N 273.336 1.485 50 50 CDGA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC(Cl)Cl 496564065 JZTKAMCYUIEHGB-SSDOTTSWSA-N 297.182 1.916 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1875364413 METWDOOKMXSZMM-QMMMGPOBSA-N 266.728 1.881 50 50 CDGA C[C@@H](Cl)C(=O)NCc1nc2cccnc2n1C 1875377694 LBEFNTGFPUCYNE-SSDOTTSWSA-N 252.705 1.212 50 50 CDGA O=C(N/N=C/c1ccc2nsnc2c1)c1ccncc1 175784 WSNZJRDQNOALKJ-OVCLIPMQSA-N 283.316 1.850 50 50 CDGA OB(O)c1cc(F)ccc1OCc1cccc(Cl)c1 169922575 MENHUHUJPYUZCH-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA CC(C)[C@H](Br)C(=O)N1CCOCC1 1690111 WRMJBKOESLCMKX-QMMMGPOBSA-N 250.136 1.265 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](c1nccn1C)C1CCOCC1 1875366483 NZRVKWKZDPMHGI-GXSJLCMTSA-N 285.775 1.631 50 50 CDGA O=C(N/N=C/c1ccco1)[C@H]1CC(=O)N(c2ccccc2)C1 448631 OYNCGJBHRQUBMO-VAKHEIKFSA-N 297.314 1.783 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1O 4360486 OIBNRMWHMHYUDP-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA COc1ccc(N2CCN(C(=O)CCl)CC2)cc1 3379383 ZEGOLGPYOZQVCA-UHFFFAOYSA-N 268.744 1.583 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](c1nccn1C)C1CCOCC1 1875366484 NZRVKWKZDPMHGI-KOLCDFICSA-N 285.775 1.631 50 50 CDGA CCNC(NCC)=C(C#N)C(=O)NCc1ccccc1 170602594 BURKHJUQSYUUTP-UHFFFAOYSA-N 272.352 1.257 50 50 CDGA O=C1C[C@@H](CI)CN1C1CC1 170609995 IMKRHOOENNGMIC-LURJTMIESA-N 265.094 1.432 50 50 CDGA Cc1ccc(/C=N/NC(=O)c2ccccn2)c(O)c1 175041 RTUBCACESKRALR-CXUHLZMHSA-N 255.277 1.860 50 50 CDGA CS(=O)(=O)C[C@H](NC(=O)CCl)c1ccccc1 1857785062 JDGMQCVENCDWLY-JTQLQIEISA-N 275.757 1.127 50 50 CDGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccco1 2796087 KMMNUOJXJZBQME-NWDGAFQWSA-N 270.288 1.844 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 2875081 FHYALCMLFMBYGH-ONNFQVAWSA-N 281.253 1.112 50 50 CDGA Cc1nn(C)c(NNC(=O)c2ccccc2)c1C#N 1875349848 PNVKUUGUMDQRBI-UHFFFAOYSA-N 255.281 1.357 50 50 CDGA OB(O)c1cccc(C(F)(F)F)c1Br 169978243 DGEDEAVZOHLRDU-UHFFFAOYSA-N 268.825 1.148 50 50 CDGA COc1cccc(/C(C)=N/NC(=O)c2cnccn2)c1 4530546 SNWKXHHHQBRYLJ-LICLKQGHSA-N 270.292 1.639 50 50 CDGA CC1(C)OB(c2ccc3c(c2)C(=O)OC3=O)OC1(C)C 198086095 BFZHKYHKEHKTDP-UHFFFAOYSA-N 274.081 1.296 50 50 CDGA C[C@@]1(CO)Cc2ccccc2N(C(=O)CCl)C1 1875377899 QMWQHAOWEYVKSG-CYBMUJFWSA-N 253.729 1.813 50 50 CDGA Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCl)no1 1335465356 NDXSROZWMCHGTA-PBINXNQUSA-N 269.732 1.854 50 50 CDGA COc1ccc(C(=O)N/N=C/c2cccnc2)cc1 41345 HUDQYVNEQZZAQY-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)N1CCCC1 1421055 SUJRBKKLLKWULT-UKTHLTGXSA-N 270.288 1.914 50 50 CDGA C[C@H](Cl)C(=O)N(C)CC(=O)Nc1nccs1 1875363554 JIZGUWLKKCPIPN-LURJTMIESA-N 261.734 1.167 50 50 CDGA O=[N+]([O-])c1cc(F)ccc1Oc1cccc(B(O)O)c1 169747495 PFNVDOGFMYGBQN-UHFFFAOYSA-N 277.016 1.206 50 50 CDGA O=C(Nc1ccnn1-c1ncccn1)[C@H](F)Cl 2325901405 DJPNCZQVTFEWCD-ZETCQYMHSA-N 255.640 1.135 50 50 CDGA O=C(CCl)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 1875378309 ZGVRZEJHIITVRT-NSHDSACASA-N 294.738 1.470 50 50 CDGA O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccc1F 434203 DDHDVARXZRONRN-RQZCQDPDSA-N 297.293 1.721 50 50 CDGA O=C(NCCCCl)c1c(O)[nH]c2ccccc2c1=O 18203408 CWNVCCZYWYALHV-UHFFFAOYSA-N 280.711 1.592 50 50 CDGA Cc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5295369 SVKHZVGNMJLGIJ-CXUHLZMHSA-N 268.320 1.971 50 50 CDGA Cc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 2901461 NEZDLRZPADIBSB-GZTJUZNOSA-N 287.363 1.894 50 50 CDGA O=C1[C@@H]2[C@H]3[C@@H]4[C@H](I)[C@@H]5[C@@H]3[C@@H]2[C@@H]5[C@@H]14 254852373 XCHONFDZXLJZCW-QLHXPXLRSA-N 272.085 1.357 50 50 CDGA COc1ccc(NC(=O)[C@@H](F)Cl)cc1-n1cnnn1 2325898741 YAKMQXFNFAYHTA-SECBINFHSA-N 285.666 1.144 50 50 CDGA C[C@@H](Cl)C(=O)NCC1(S(C)(=O)=O)CCCC1 1875366500 PXVBMCRRROPBMG-MRVPVSSYSA-N 267.778 1.087 50 50 CDGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(=O)[nH]n1 5314261 ZOBRFNBXTZWSAY-VGOFMYFVSA-N 276.683 1.187 50 50 CDGA Cc1[nH]nc(C(=O)NNC(=O)C2CCC2)c1C(F)(F)F 906643824 HVOUACJIFAGINH-UHFFFAOYSA-N 290.245 1.298 50 50 CDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccco1 2571845 WXSKTXWFPVDOCZ-OQLLNIDSSA-N 287.275 1.377 50 50 CDGA OB(O)c1cc(F)c(F)cc1OCc1ccccc1 310006039 HRHVFXMMMRJAAW-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA CC(C)=NNC(=O)C(=O)Nc1cccc(Cl)c1 5008685 QHXFRCBMLIZNPK-UHFFFAOYSA-N 253.689 1.791 50 50 CDGA O=C(CCl)N1CCS(=O)(=O)C[C@H]1c1ccccc1 1857785067 JOKSSXWIHKGINJ-NSHDSACASA-N 287.768 1.224 50 50 CDGA COc1ccc(/C=C(\C#N)C(N)=O)cc1Br 160918 UWBFYSGLGROYSF-XBXARRHUSA-N 281.109 1.850 50 50 CDGA C=CCNC(=S)NNC(=O)COc1ccccc1C 4694452 KNOVMMBQQVLZSB-UHFFFAOYSA-N 279.365 1.055 50 50 CDGA NNC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 58848557 OWPAJNNZKYAXSL-UHFFFAOYSA-N 275.230 1.414 50 50 CDGA C[C@H](Cl)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 1875364295 NKHKJSZPMFRUKG-CBAPKCEASA-N 272.757 1.375 50 50 CDGA COc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccccc21 5729872 HPIOUAWUYFUKCT-UHFFFAOYSA-N 295.298 1.781 50 50 CDGA O=C(Nc1ccccc1F)c1cc(B(O)O)ccc1Cl 169744070 RJHPNXLHWSRQRD-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cc1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)cc1 169744575 IHMDYBHUOKRJCH-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA CCOc1c(Br)cc(Cl)cc1B(O)O 169955150 WCTFRWVFKUJXPA-UHFFFAOYSA-N 279.326 1.181 50 50 CDGA COCC(=O)N/N=C/c1ccc(Sc2ccccn2)o1 446353 DJHQWDUFBYJJMI-OVCLIPMQSA-N 291.332 1.922 50 50 CDGA O=C(NC1CCCCC1)c1ccc(Cl)c(B(O)O)c1 169744236 YIIFOIAEUVSORY-UHFFFAOYSA-N 281.548 1.082 50 50 CDGA CC(C)(C)OC(=O)N1CCC(C)(C(=O)NN)CC1 113762569 SUGNMKNZPHTIFH-UHFFFAOYSA-N 257.334 1.014 50 50 CDGA in-vitro CCO[Si](CCCOC[C@H]1CO1)(OCC)OCC 169808166 JXUKBNICSRJFAP-LBPRGKRZSA-N 278.421 1.840 50 50 CDGA in-vitro COC(=O)c1ccc(/C=C(\C#N)C(=O)NC(C)C)n1C 585086294 MKIUILNUJFWPFU-JXMROGBWSA-N 275.308 1.243 50 50 CDGA Cc1sc(/C=N/NC(N)=O)cc1Br 43729 SXHWUVHPTLSPMB-XCVCLJGOSA-N 262.132 1.821 50 50 CDGA COc1ccc(OC)c(/C=N/NC(=O)c2cnccn2)c1 228505 HBLIFNDCSCCGMX-CAOOACKPSA-N 286.291 1.258 50 50 CDGA COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1O 5052084 DJTACERQBDYDTP-CYBMUJFWSA-N 298.302 1.651 50 50 CDGA biogenic,in-vitro CC1=CCCC(C)(C)[C@@H]1C(=O)C[C@H](C)NNC(N)=O 2981279 HODDEJOQCDTFPP-JQWIXIFHSA-N 267.373 1.890 50 50 CDGA CCCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1 8569450 APECFQYJKHETJC-SNVBAGLBSA-N 250.298 1.401 50 50 CDGA O=C(Cl)C1=CN2C=CC=C(Br)[C@H]2N1 255187743 GMWPQYIWUKYZPS-QMMMGPOBSA-N 261.506 1.631 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C)C(=O)N1CCc2ccccc21 1875363983 GPZREVQMRLBHBX-VHSXEESVSA-N 280.755 1.708 50 50 CDGA Cc1nsc(N2CCCN(C(=O)CCl)CC2)n1 1319675031 UCQJIFVIPHEWDB-UHFFFAOYSA-N 274.777 1.124 50 50 CDGA CC(C)C(=O)NN=C1CCC(=NNC(=O)C(C)C)CC1 276583 QWVSAFCKKTZOFE-UHFFFAOYSA-N 280.372 1.817 50 50 CDGA N#C/C(=C\c1ccc2c(c1)OCO2)c1n[nH]c(N)c1C#N 8553441 ZEYLBMZRBYXANQ-YCRREMRBSA-N 279.259 1.656 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]3C[C@@H](C4=C3[C@@H]3CC5CC3[C@H]4C5)[C@@H]12 104306143 JWKGKWVATJJPBG-PTPGNNCXSA-N 256.301 1.924 50 50 CDGA CC(C)(C)OC(=O)NCCOCCBr 82229544 DMOPZPBTLCZSGL-UHFFFAOYSA-N 268.151 1.923 50 50 CDGA CCCCCCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744638 GWPRDRJXWFTTKP-UHFFFAOYSA-N 283.564 1.330 50 50 CDGA O=C(NNC(=O)c1ccc(F)cc1)c1ccccc1 485325 KHQUUZWSHWTLKE-UHFFFAOYSA-N 258.252 1.901 50 50 CDGA O=C(NNC(=O)c1cccc(F)c1)c1ccccc1 1730681 OIDFJLFXFBBCDS-UHFFFAOYSA-N 258.252 1.901 50 50 CDGA NNC(=O)c1cc(Br)cc(Br)c1 3097268 SJCNZVWNUHGVOP-UHFFFAOYSA-N 293.946 1.815 50 50 CDGA CCOC(=O)NNC(=O)c1ccc(Cl)nc1OCC 225647275 ZIKAPWXAZJLCMR-UHFFFAOYSA-N 287.703 1.525 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccnc(Cn2cccn2)c1 1875366945 BBVDZXPWLWOIKG-VIFPVBQESA-N 264.716 1.892 50 50 CDGA Nc1nonc1C(=O)N/N=C/C=C/c1ccccc1 3043834 YYZYEAAQZXKMAK-CUJDEGIUSA-N 257.253 1.081 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2c(F)cccc21 169905149 GIHZCAVQMVZATP-UHFFFAOYSA-N 279.076 1.243 50 50 CDGA OB(O)c1cc2ccccc2cc1Br 203690499 MEZCZWDLMIBKID-UHFFFAOYSA-N 250.888 1.282 50 50 CDGA NNC(=O)C1CCN(Cc2cccc(F)c2)CC1 170051 MDMWRAMRJNBVRR-UHFFFAOYSA-N 251.305 1.028 50 50 CDGA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCl 2566266 HJNHMXKZIARYOR-NSHDSACASA-N 285.727 1.221 50 50 CDGA O=C(NN=C1CCCC1)C(=O)NN=C1CCCC1 4964993 BILIOYSWAURUQG-UHFFFAOYSA-N 250.302 1.079 50 50 CDGA OB(O)c1ccc(-c2nc3ccccc3s2)s1 199487809 CXDWUVFXUHCNPL-UHFFFAOYSA-N 261.136 1.705 50 50 CDGA N#C[C@@H]1N(C(=O)CCl)CCC[C@]12CCCCO2 1875303429 WWYUJFPCHQWCAQ-CMPLNLGQSA-N 256.733 1.679 50 50 CDGA CCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 169988636 DPZXYDZCHICUCN-UHFFFAOYSA-N 265.118 1.128 50 50 CDGA COC(=O)[C@](O)(CBr)c1ccccc1 200193417 MUURPDGZFXFWQI-JTQLQIEISA-N 259.099 1.442 50 50 CDGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccn1 438374 RRBXZXCHWSJSNV-LZYBPNLTSA-N 269.260 1.574 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1cc(Cl)ccc1O 5792576 FAAMEWJVUSNNKX-WLRTZDKTSA-N 296.739 1.969 50 50 CDGA Cc1cc(Cl)ccc1NC(=O)NNC(N)=S 2172264 JSCNYWFOFICHSS-UHFFFAOYSA-N 258.734 1.518 50 50 CDGA Cc1nocc1S(=O)(=O)N1CCSSCC1 952883916 SWRKBXAQDKZSPC-UHFFFAOYSA-N 280.396 1.369 50 50 CDGA O=C(CCl)N[C@@H](Cn1cncn1)c1ccccc1 1875363682 RPAHDXRGENGNSQ-NSHDSACASA-N 264.716 1.374 50 50 CDGA CCOC(=O)c1cc(C(=O)CBr)on1 166483 GUYZRQOTADGHII-UHFFFAOYSA-N 262.059 1.429 50 50 CDGA in-vitro Cc1cccc(NC(=O)c2cc(B(O)O)ccc2Cl)c1 169744099 VJELBFGEHAWNRK-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA OB(O)c1cc(F)cc(OCCOCc2ccccc2)c1 309670543 SMENQOLNTNMKGX-UHFFFAOYSA-N 290.099 1.101 50 50 CDGA OB(O)c1ccc(OC(F)(F)F)c(Br)c1 169807026 VSDRZDLYOYDPPU-UHFFFAOYSA-N 284.824 1.028 50 50 CDGA CC1(C)CC(=O)c2cnc(NC(=O)CCl)nc2C1 4680918 LLIQJOJOQXMOJR-UHFFFAOYSA-N 267.716 1.809 50 50 CDGA Cc1ccc(N)c([C@@H](NCC(=O)NN)c2ccccc2)c1 55129600 WRURYPUGYZEBHB-INIZCTEOSA-N 284.363 1.246 50 50 CDGA Cc1nc(N)sc1C(=O)N/N=C/c1ccco1 118988 PBCJAIHHKWJEBC-LFYBBSHMSA-N 250.283 1.391 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2F)c(C)c1 169744267 SBBJYTPHYGSPBT-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA O=C(NNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 242952 PPIPIDNPOOSYDM-UHFFFAOYSA-N 291.288 1.731 50 50 CDGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)cc1 2892573 SAZJHMSQAREPCW-OQLLNIDSSA-N 281.743 1.659 50 50 CDGA CCN(C(=O)CCl)[C@H]1CCN(CC(F)(F)F)C1 1875367870 VHBHGVRTLANIAS-QMMMGPOBSA-N 272.698 1.710 50 50 CDGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccncc1 36079828 RAOPHYMFJFYFON-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA CCOC(=O)/C(C#N)=C\Nn1cc(-c2ccccc2)nc1N 226855013 CVPALGVOFRIZGE-XFXZXTDPSA-N 297.318 1.646 50 50 CDGA N#C/C(=C\c1cc(O)ccc1Br)C(N)=O 178987071 HOZKGQSLFDVQKY-XVNBXDOJSA-N 267.082 1.547 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccnc1 55768 OUWHAJHXXUEOIJ-CXUHLZMHSA-N 271.324 1.504 50 50 CDGA CC(=O)OCC1=C(C)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@H]21 254772254 VPXMMTSODBQIDG-JOJVEKOVSA-N 288.299 1.244 50 50 CDGA COc1ccc(OC)c2c1CN(C(=O)[C@H](C)Cl)C[C@@H]2O 1875363586 KSRCNZMRVXYNLE-WPRPVWTQSA-N 299.754 1.707 50 50 CDGA OB(O)c1ccc(C(F)(F)F)cc1OC1CCCC1 169964684 ROLIANNTBQTQDQ-UHFFFAOYSA-N 274.047 1.707 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccccc1F 8733732 YGBKRIGXBXEXSO-SNVBAGLBSA-N 284.250 1.127 50 50 CDGA CC(C)(C)OC(=O)/C(C#N)=C1\C=CC([N+](=O)[O-])=CN1 65337538 GMFFWYZEYQEJDE-MDZDMXLPSA-N 263.253 1.383 50 50 CDGA Cn1c(Cc2ccccc2)cnc1CNC(=O)CCl 1875370226 GRHBDWRYDKYTQJ-UHFFFAOYSA-N 277.755 1.866 50 50 CDGA CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@@H]1C(N)=O 457669 BJEKFIDYUOLSGO-SECBINFHSA-N 278.381 1.507 50 50 CDGA O=C(NNC(=S)NCc1ccc(F)cc1)c1ccco1 610498 RSCUYIRHBGZMNS-UHFFFAOYSA-N 293.323 1.728 50 50 CDGA O=C(NNC(=O)[C@H]1[C@H]2CCC(F)(F)[C@@H]12)c1ccccn1 2325789210 DTQFRMBWVBUSKN-FKTZTGRPSA-N 281.262 1.134 50 50 CDGA O=C(CCl)N1CCO[C@@H](COc2ccccc2)C1 2325885920 XMVRCLRVXVDJMT-GFCCVEGCSA-N 269.728 1.532 50 50 CDGA CCC(=O)NNC(=O)COc1cccc2cccnc12 4821148 MWTHWVQLHKFMKQ-UHFFFAOYSA-N 273.292 1.171 50 50 CDGA Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)Cl)C2)n1 1875363444 AMKZVCUJTMZAMQ-KCJUWKMLSA-N 270.764 1.686 50 50 CDGA Cc1c(NC(=O)CCl)n[nH]c1-c1ccncc1 1775988426 IXNKPMAURYDLAI-UHFFFAOYSA-N 250.689 1.957 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1cc(F)cc(B(O)O)c1 169744288 DACNZDFPPCKZCR-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 8971266 WUWJNENIKBUUEP-ZDUSSCGKSA-N 296.286 1.665 50 50 CDGA CCc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1 102310551 LWQHWJIAJLGCLW-WFSQQTBHSA-N 286.335 1.211 50 50 CDGA C[C@]1(O)NC(=C(C#N)C#N)C(C#N)=C1C(=O)c1ccccc1 1392748 LZVSYTLVFIOZCU-MRXNPFEDSA-N 290.282 1.302 50 50 CDGA CC(C)(C)NC(=O)Nc1ccc(C(=O)NN)cc1 397519 FQNAXWLPTQGYCW-UHFFFAOYSA-N 250.302 1.210 50 50 CDGA CC[C@@H](Br)C(=O)NCCN(CC)CC 32919678 IVBJGHOEKYBOQK-SECBINFHSA-N 265.195 1.618 50 50 CDGA C[C@H](NC(=O)CCl)c1nc(-c2cccs2)n[nH]1 1875377321 CAIHAKIXTYTVPL-LURJTMIESA-N 270.745 1.949 50 50 CDGA O=C1O[C@H]2[C@@H]3C[C@H](C[C@H]13)[C@H]2I 100494812 HDHTTWLQAIUNEA-ZFYZTMLRSA-N 264.062 1.371 50 50 CDGA in-vitro COC(=O)c1cc(NC(=O)[C@@H](C)Cl)cc(C(=O)OC)c1 19737266 YGPCOBCATAOLDP-SSDOTTSWSA-N 299.710 1.826 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)[C@H]1COc2ccccc2O1 177424 JKRDHPRXIMMUFU-GFHWABCWSA-N 298.298 1.682 50 50 CDGA Cc1ccc(NC(=O)NNC(=O)CC#N)cc1Cl 3086260 MVLGPGNVCPXQEK-UHFFFAOYSA-N 266.688 1.715 50 50 CDGA CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 9007677 AVWWMYMXWTUPDB-LICLKQGHSA-N 297.362 1.728 50 50 CDGA CNC(=O)c1ccc(OC)c(-c2noc(CCl)n2)c1 34924951 MDCNSTWJLSWFQF-UHFFFAOYSA-N 281.699 1.844 50 50 CDGA Cc1ccccc1NNC(=O)c1ccc(=O)n(C)c1 127508798 OHQZQIJEHUJZJT-UHFFFAOYSA-N 257.293 1.451 50 50 CDGA C[C@H](I)CCSC(=N)N 45069818 RLGWDOMBEQDDLX-BYPYZUCNSA-N 258.128 1.827 50 50 CDGA O=S(=O)(CBr)N1CC=CCCC1 43199300 YJMMEYSKKHBDCM-UHFFFAOYSA-N 254.149 1.321 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1875366531 SNPQZJKWCPJKCP-QJPTWQEYSA-N 286.803 1.373 50 50 CDGA Cc1cccc(OC[C@H](O)CNC(=O)CCl)c1 1320465366 GPDWOKHZJVFPBP-SNVBAGLBSA-N 257.717 1.090 50 50 CDGA CCCCOc1ccc(F)c(B(O)O)c1Br 169748141 RMDWMUWZAKPUFW-UHFFFAOYSA-N 290.925 1.447 50 50 CDGA C/C(=N\NC(=O)c1ccc(O)cc1)c1ccccn1 5009985 SGBUGDYZFHACQP-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA O=C(N/N=C/c1cccs1)C(=O)N1CCCCC1 2892311 QACUNYORPJSGMT-UKTHLTGXSA-N 265.338 1.211 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 281791 PSUJEUSCHQUVEU-UHFFFAOYSA-N 291.332 1.013 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1F 100151715 CGEBYFDHIARVDQ-FNQVVVRFSA-N 290.298 1.178 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 1875363739 WKIGFVQMKUJNOX-VHSXEESVSA-N 270.764 1.132 50 50 CDGA C[C@H](Cl)C(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 1875368199 YKNJWTDRHONKTR-WDEREUQCSA-N 280.755 1.783 50 50 CDGA CN(C(=O)CCl)[C@H]1CCN(c2ccccc2)C1=O 1323269878 QVYRJPYFUZPCQU-NSHDSACASA-N 266.728 1.489 50 50 CDGA O=C(N/N=C/c1cccc(O)c1O)c1ccc(O)cc1 294071 GHIOMUXICFVSSJ-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA OB(O)c1cc(F)ccc1OCc1ccc(Cl)cc1 169922578 YAQSCXUKRKPCPM-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@H](F)Cl 2325898074 RIDXQGANYQWAJW-ZJUUUORDSA-N 276.739 1.428 50 50 CDGA O=C(N/N=C/c1ccccn1)c1n[nH]c2c1CCCC2 9007754 SKWUVEWRQHPUBE-CXUHLZMHSA-N 269.308 1.447 50 50 CDGA NNC(=O)[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 601012427 HJSPHTGCOBHFQS-CYBMUJFWSA-N 283.331 1.178 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 1875380348 MGXPUZCPFPJOLM-SCZZXKLOSA-N 298.774 1.389 50 50 CDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 115138 XMFBOTNBCGFJPK-KNGSKEOJSA-N 299.286 1.779 50 50 CDGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cnccn1 1746358 LPHKLEXVOYDEMO-GOBGXLLKSA-N 297.274 1.814 50 50 CDGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(F)cc1 2892412 PNHJXMZTXIIYSW-OQLLNIDSSA-N 265.288 1.144 50 50 CDGA O=C(CCl)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2022282 PGTJUXHMJYBSBW-LLVKDONJSA-N 280.711 1.519 50 50 CDGA CC(C)CNC(=O)C1(NC(=O)[C@@H](C)Cl)CCCC1 1875364333 NXQLECPRSIUMQI-SNVBAGLBSA-N 274.792 1.815 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1875363986 GSKCFOPKIIGHLX-ZETCQYMHSA-N 273.741 1.582 50 50 CDGA Cc1occc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 5005953 GMUQNJBFACIJBN-VGOFMYFVSA-N 289.247 1.966 50 50 CDGA C[C@H](NNC(=O)c1cccnc1)[C@H]1COc2ccccc2O1 432774 KTYXGRPFRLHLAW-XHDPSFHLSA-N 299.330 1.545 50 50 CDGA C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN(C)CC 253417388 WJEFZIGSAZAXDC-LLVKDONJSA-N 273.336 1.485 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)o1 584908367 IGZRXGJUZSFJBW-UHFFFAOYSA-N 274.342 1.334 50 50 CDGA COC(=O)C[C@H]1c2ccccc2CCN1C(=O)CCl 1875369200 ZSLSRZJENPQQHJ-LBPRGKRZSA-N 281.739 1.914 50 50 CDGA Cc1ccccc1NC(=O)c1ccc(B(O)O)cc1F 169744292 IBDXQBXDQWCNLR-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA CC1(CC(=O)N/N=C/C=C/c2ccccc2)OCCO1 2912554 HWJWHRKHUYWHHU-ZCPHBQKFSA-N 274.320 1.955 50 50 CDGA Cn1nc(C2CC2)cc1COCCNC(=O)CCl 1875374531 VLHDUTPBJAYUPP-UHFFFAOYSA-N 271.748 1.169 50 50 CDGA COC(=O)C[C@H](NC(=O)CCl)c1ccc(F)cc1F 1616016390 BLYDOGBEESMTSM-JTQLQIEISA-N 291.681 1.924 50 50 CDGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2cnccn2)cc1 19835436 RSDZIRVKIMNISI-VCHYOVAHSA-N 298.302 1.556 50 50 CDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccco1 2697903 GGJJLHVXPDMUIH-NSHDSACASA-N 260.249 1.534 50 50 CDGA Cc1ccc(N2CC[C@@H](NC(=O)CCl)C2=O)cc1 1323269458 LVPADNQLOKFTNW-LLVKDONJSA-N 266.728 1.455 50 50 CDGA OB(O)c1ccc(OCc2ccccc2F)c(Cl)c1 169877158 YDPXKZJRODTNBZ-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA in-vitro O=C(N/N=C/c1ccncc1)c1ccccc1[N+](=O)[O-] 252777 VNKPQKKXMUFBHH-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA CC(C)(N)CC(=O)NC[C@]1(C)C[C@@H]1Br 857007508 MZWHCBYKNCLBLW-XVKPBYJWSA-N 263.179 1.404 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O 1875380024 CHAYJTXCNNJZGI-SBFPOUOMSA-N 275.776 1.392 50 50 CDGA O=C(CBr)c1ccc(O)c([N+](=O)[O-])c1 2573859 ADFUHIYILOQDHG-UHFFFAOYSA-N 260.043 1.878 50 50 CDGA CCn1cc(S(=O)(=O)N2CCSSCC2)cn1 952962075 ZXFZFSMSPHPAKN-UHFFFAOYSA-N 293.439 1.289 50 50 CDGA CC(C)COC(=O)N1CCN(C(=O)[C@@H](C)Cl)CC1 1875364363 LWDSCAYPJGPOTQ-SNVBAGLBSA-N 276.764 1.551 50 50 CDGA C[C@H](Cl)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 1875377697 LDBLECSYVBIZRG-VIFPVBQESA-N 296.733 1.709 50 50 CDGA C[C@H](Cl)C(=O)N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 1875379967 ASDIRSJDMYTPSX-DTHBNOIPSA-N 261.749 1.409 50 50 CDGA O=C(Nc1ccc(B(O)O)cc1)OCc1ccccc1 169745489 KYCQBMOJDXVNIC-UHFFFAOYSA-N 271.081 1.115 50 50 CDGA in-vitro CN(C)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 1722952 FKMWGZIUAHMKRY-UHFFFAOYSA-N 276.745 1.114 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2C2=C1[C@@H]1C[C@@H]3C[C@@H]2[C@@H]1C3 257356714 JWKGKWVATJJPBG-PRPRYYMRSA-N 256.301 1.924 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccnc2)c1 5548148 SFARPDNPMIIQNT-LICLKQGHSA-N 282.303 1.479 50 50 CDGA C[C@@H]1[C@H](O)O[C@@H]2OC[C@@]3(C)C[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 390835870 DJGUTYJDEZGRGH-JUIPADMUSA-N 284.352 1.839 50 50 CDGA biogenic,in-vitro O=C1c2ccccc2S(=O)(=O)C[C@@H]1Br 336680 DEGLAKGDZIPTAY-ZETCQYMHSA-N 275.123 1.420 50 50 CDGA CC(C)(C)OC(=O)N1CC(=O)[C@@H](Br)C1 40448368 JLGDEUGSXALHGU-LURJTMIESA-N 264.119 1.570 50 50 CDGA CC(C)[C@@H](NC(=O)[C@@H](C)Cl)C(=O)N1CCCCC1 1875376324 SNNDNPOGMOVBCA-GHMZBOCLSA-N 274.792 1.767 50 50 CDGA O=C(CCl)NNC(=O)c1cccc2cccnc12 1875374614 AKJRIHXNOMNKIH-UHFFFAOYSA-N 263.684 1.235 50 50 CDGA COc1cccc(/C(C)=N/NC(=O)CC2(C)OCCO2)c1 5094344 LAKZOOPKXUAPCM-LFIBNONCSA-N 292.335 1.689 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cc2c(cc1F)CCNC2=O 1875378108 VTDCUZCZGANJDY-ZCFIWIBFSA-N 270.691 1.677 50 50 CDGA COC[C@H](NC(=O)[C@@H](C)Cl)c1cccc(C#N)c1 1875367165 UOJSCAFHAPMABC-SKDRFNHKSA-N 266.728 1.989 50 50 CDGA CCCOc1ccccc1-c1cc(C(=O)NN)[nH]n1 5615505 XYULLYCFISKSAG-UHFFFAOYSA-N 260.297 1.469 50 50 CDGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccccc1O 4964108 OJUYLHRFUKTIIN-SXGWCWSVSA-N 286.287 1.957 50 50 CDGA CC[C@H](Br)C(=O)NCCN(CC)CC 32919680 IVBJGHOEKYBOQK-VIFPVBQESA-N 265.195 1.618 50 50 CDGA C[C@H]1[C@H](NC(=O)CCl)CC(=O)N1Cc1ccccc1 1875375312 YURYSHMDHRQWEW-CMPLNLGQSA-N 280.755 1.531 50 50 CDGA Cc1ccc(S(=O)(=O)[N@@]2C[C@@]2(C)CCl)cc1 1857524775 WEBFWKRVIFRTOY-YPMHNXCESA-N 259.758 1.997 50 50 CDGA C[C@H](NC(=O)CCl)c1ccc(-n2ccnn2)cc1 1875375274 WYUPKLKQJYHHIG-VIFPVBQESA-N 264.716 1.683 50 50 CDGA COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1O 5335128 YLYFIMLDNIPYDO-VCHYOVAHSA-N 299.330 1.963 50 50 CDGA COC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)OC(C)(C)C 21987202 XNKQYQOTERJNHJ-YUMQZZPRSA-N 263.721 1.776 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1ccccn1 196357 YDQUVVFVNRMDIC-UHFFFAOYSA-N 255.277 1.465 50 50 CDGA C[C@@H](Cl)C(=O)NCCN(CC(F)F)C1CC1 1875364493 NHFGBSHUMHNOIJ-SSDOTTSWSA-N 254.708 1.459 50 50 CDGA CC(=O)N/N=C/c1cc(Br)ccc1O 39337 YTJMMCWCOHWNLC-VZUCSPMQSA-N 257.087 1.625 50 50 CDGA O=C(Cc1cccs1)NNC(=O)c1ccco1 260230 DIPNZGNKEUGPEC-UHFFFAOYSA-N 250.279 1.345 50 50 CDGA O=C1O[C@@H]2[C@H](Br)[C@@H]3[C@H](C(=O)O)[C@H]1[C@@H]2C31CC1 239231172 VBPDRWSGPODPHD-AHUORUEDSA-N 287.109 1.032 50 50 CDGA CC(C)Oc1ccc(-c2ccc(B(O)O)cc2)cc1 169748131 NBOVAIFWBASNLS-UHFFFAOYSA-N 256.110 1.821 50 50 CDGA in-vitro COC(=O)c1cc(N=C=S)cc(C(=O)OC)c1 4343372 SEFVBTNZOHDLLS-UHFFFAOYSA-N 251.263 1.994 50 50 CDGA O=C/C(Br)=C(/Br)C(=O)O 1724510 NCNYEGJDGNOYJX-IHWYPQMZSA-N 257.865 1.271 50 50 CDGA CC(C)(C)c1cc(Br)cc(B(O)O)c1 307383831 IYYXDZHRVBGUAG-UHFFFAOYSA-N 256.936 1.426 50 50 CDGA COC(=O)c1cc(C(=O)CBr)ccc1O 91688858 YRPHNSODVHXAOP-UHFFFAOYSA-N 273.082 1.756 50 50 CDGA O=C(NNC(=S)NCc1ccco1)c1ccccc1 16215192 YELAYLMDJDFLGH-UHFFFAOYSA-N 275.333 1.589 50 50 CDGA CCc1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1 16662189 BFIZDCQZNHTKEB-CQSZACIVSA-N 261.369 1.451 50 50 CDGA CCOC(=O)/C(C#N)=C/c1[nH]c(C(=O)O)c(C)c1C 2519459 MJIOGQPUBYNXJA-WEVVVXLNSA-N 262.265 1.800 50 50 CDGA O=C(CCl)N1CCOC[C@@H]1C[C@H](O)c1cccs1 1116439191 MCPSXOBJZMOILZ-UWVGGRQHSA-N 289.784 1.638 50 50 CDGA C[C@@H](Cl)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 1875363559 JJQPMKXHNHDYAD-ZYHUDNBSSA-N 280.755 1.704 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1875367257 JKBPIOLBVRVMCS-BXKDBHETSA-N 271.748 1.169 50 50 CDGA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)CCl 1324707038 UBNUXLZHCKMJNJ-JTQLQIEISA-N 270.716 1.126 50 50 CDGA Cc1ccc(C[C@@H](CO)CNC(=O)CCl)cc1 1875377629 JBUSAHDTCWQLEP-GFCCVEGCSA-N 255.745 1.501 50 50 CDGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1 2900485 PSOTWTAXUOXKCT-NTEUORMPSA-N 273.317 1.837 50 50 CDGA CNC(=O)[C@@H](Br)CCCBr 219242212 HPBOZZBEWRDXEC-YFKPBYRVSA-N 272.968 1.671 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1 1875376506 ZDKLCCUZKVCUNF-ONGXEEELSA-N 278.743 1.680 50 50 CDGA CNC(=O)c1cccc(N(C)C(=O)[C@H](C)Cl)c1 1875367132 MNOWNEWEMCUNMP-QMMMGPOBSA-N 254.717 1.636 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccncc1 237982 VUUFBVKBJGFAJS-NTUHNPAUSA-N 260.209 1.347 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1ccc2c(c1)OCO2 5792604 BFUKNNBJTJQVOE-WLRTZDKTSA-N 290.304 1.339 50 50 CDGA C/C(=N\NC(=O)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 12343268 WJTMMGRIXXQYDC-OQLLNIDSSA-N 287.279 1.482 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccco2)cc1 299182 GTIYUVMNCRNUQA-UHFFFAOYSA-N 260.249 1.363 50 50 CDGA Cc1nc(NC(=O)CCl)sc1C(=O)N(C)C 2513505 FZXQXMAUQGRMHB-UHFFFAOYSA-N 261.734 1.331 50 50 CDGA COc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1O 100323038 ZOJPGKLTFBBAET-SXGWCWSVSA-N 286.287 1.870 50 50 CDGA Cn1cccc1C1C(C#N)=C(N)SC(N)=C1C#N 83251957 VAPBFDLWQHXQIL-UHFFFAOYSA-N 257.322 1.243 50 50 CDGA C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)Cl 1875378293 YWJTVTGVFJPNHW-NXEZZACHSA-N 293.754 1.529 50 50 CDGA CO[C@H](CNC(=O)[C@H](C)Cl)Cc1ccccc1 1875377662 KJCYIZXRPOHQFY-JQWIXIFHSA-N 255.745 1.988 50 50 CDGA O=C(CCl)NC1CCN(c2ccncc2)CC1 1775991505 FMSRKXUEZBDQPP-UHFFFAOYSA-N 253.733 1.405 50 50 CDGA O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1 524537 NYEQVRPXDWMNHA-NTEUORMPSA-N 273.248 1.881 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O 288558 VXMXFOZQBCSQSX-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA Cc1cccc(NC(=O)c2cc(B(O)O)ccc2F)c1 169744429 KAEODVFXXIOTPP-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA CCOC(=O)N/N=c1/sc2ccccc2n1C 5568615 ZEDVLFMBPNIZSF-ZRDIBKRKSA-N 251.311 1.802 50 50 CDGA O=C(CCl)NC[C@H]1CCC[C@H](C(F)(F)F)O1 1262196142 YYYJLTGSMJLVDQ-RNFRBKRXSA-N 259.655 1.841 50 50 CDGA CC1=NN(C(=O)C(C)C)[C@](C)(NNC(=O)C(C)C)C1 432694 LASRJPWJWHGWEP-ZDUSSCGKSA-N 268.361 1.244 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 1875364153 FVDPUDDHQNKPAP-SSDOTTSWSA-N 290.688 1.658 50 50 CDGA C[C@@H](Cl)C(=O)N(C)Cc1ccc(Cn2cncn2)cc1 1875364218 JWLCMSMFRLQLNY-LLVKDONJSA-N 292.770 1.912 50 50 CDGA Cc1cc(CNC(=O)CCl)c(O)c([N+](=O)[O-])c1 16267626 RXNLROCNNZMAPW-UHFFFAOYSA-N 258.661 1.464 50 50 CDGA CC1(CC(=O)N/N=C/c2c[nH]c3ccccc23)OCCO1 62776 XBIQPIPDADCRLA-LICLKQGHSA-N 287.319 1.771 50 50 CDGA CCOc1ccc(S(=O)(=O)CCN=C=S)cc1 2532475 OYOMLXMSTYLITP-UHFFFAOYSA-N 271.363 1.962 50 50 CDGA CN(C)/C=C(\C=O)c1cc(Cl)ncc1[N+](=O)[O-] 34835203 PCWXJQLUHHOJBV-FNORWQNLSA-N 255.661 1.745 50 50 CDGA CCOC(=O)C12COC(CI)(C1)C2 1536219779 BBLQDUOYQYJQRA-UHFFFAOYSA-N 296.104 1.534 50 50 CDGA O=C(N/N=C/c1cccs1)[C@H](O)c1ccccc1 438336 YTINECYFWUFJNC-ZMTLZGASSA-N 260.318 1.932 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccc(O)cc1O 73573 XMANRGUACUKVKX-OQLLNIDSSA-N 273.292 1.129 50 50 CDGA CCOC(=O)c1c(NC(=O)NN)sc2c1CCCC2 80699 GJTFCNCFANQQAQ-UHFFFAOYSA-N 283.353 1.799 50 50 CDGA CC/C(=N\NC(=O)c1cnccn1)c1ccc(O)cc1 4530526 IMRKQFAAYSZLJO-SFQUDFHCSA-N 270.292 1.726 50 50 CDGA COc1ccc(Cl)cc1[C@@H](O)CNC(=O)CCl 1875366157 WIADGRBSXBDKDZ-VIFPVBQESA-N 278.135 1.737 50 50 CDGA O=C(CCl)NC[C@H]1CCCN(c2ncccn2)C1 1875377918 RFYJESWFGZJTGZ-SNVBAGLBSA-N 268.748 1.048 50 50 CDGA CN(c1cnn(C)c1)S(=O)(=O)CCCCCCl 585138731 NQBSXOUOXZGQFH-UHFFFAOYSA-N 279.793 1.595 50 50 CDGA COC(=O)c1ccc(C(=O)OC)c(N=C=S)c1 16973992 LJPZHMUMDQEGRB-UHFFFAOYSA-N 251.263 1.994 50 50 CDGA Cc1cc(Br)cn2cc(C(=O)NN)nc12 4024461 CWRXHRUXYCZKBV-UHFFFAOYSA-N 269.102 1.009 50 50 CDGA CCOc1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1 4950508 CGWVTRYSVSKEEJ-ZDUSSCGKSA-N 277.368 1.287 50 50 CDGA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NNc1ccccc1 1383682 PNTZFQUBRFJEGF-RYUDHWBXSA-N 260.293 1.797 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccncc2)c1OC 61579 PEDGLJHLSKSDOC-LICLKQGHSA-N 285.303 1.863 50 50 CDGA NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 160514 LEOZOCAJOPAGRO-FMIVXFBMSA-N 287.344 1.509 50 50 CDGA CCCOc1ccc(Br)c(B(O)O)c1F 169748139 NRFJKFUWHJKBRV-UHFFFAOYSA-N 276.898 1.057 50 50 CDGA CC1(C)C[C@@H](C(=O)NCCN=C=S)C(C)(C)N1O 3051780 STWLEJYAXKWYSJ-VIFPVBQESA-N 271.386 1.474 50 50 CDGA CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 124637441 GRMLRRSJZNLDHJ-VIFPVBQESA-N 291.351 1.435 50 50 CDGA O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H]1C1CCCCC1 170639000 GCPODFBXNKWMFY-CHWSQXEVSA-N 295.383 1.276 50 50 CDGA O=C(CCl)N[C@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875367491 HSIOYYDBYWGUQF-VDTYLAMSSA-N 281.665 1.725 50 50 CDGA O=C(NN=Cc1cccs1)c1n[nH]c(=O)c2ccccc12 252680232 XTUWTKWEAXCZIV-UHFFFAOYSA-N 298.327 1.749 50 50 CDGA CCC(=O)N1CC[C@H](NC(=O)CCl)[C@H](CC)C1 1875379212 OFIXQWZUFQOLGJ-ZJUUUORDSA-N 260.765 1.379 50 50 CDGA Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 103222 NKJDJXWRRISSHT-CXUHLZMHSA-N 255.277 1.738 50 50 CDGA O=C(NNC(=O)C(Cl)Cl)c1ccc(Cl)cc1 2143237 OPGGHIZPFNEHEQ-UHFFFAOYSA-N 281.526 1.905 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1O 1402329 SWOVWYVJAYNSBM-RQZCQDPDSA-N 285.303 1.868 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCCO[C@H]1c1nccn1C 1875380708 XFOVUSAVDOQURQ-OPRDCNLKSA-N 271.748 1.384 50 50 CDGA CCCCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744555 IFFROIJZJCDVEX-UHFFFAOYSA-N 283.564 1.330 50 50 CDGA O=C(O)c1ccc(/C=N/NC(=O)c2ccco2)cc1 4951469 BKADJUPEICAOHX-RIYZIHGNSA-N 258.233 1.742 50 50 CDGA CCOC(=O)c1ccc2c(c1)C[C@H](NC(=O)CCl)C2 1875369147 UFQGMACHHOKAHJ-GFCCVEGCSA-N 281.739 1.686 50 50 CDGA Cn1ccc([C@H](NC(=O)CCl)C(F)(F)F)c1 1875377447 DVAONAKRZYTHHE-QMMMGPOBSA-N 254.639 1.984 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1875367045 QJGQEWOCHOPCOE-RKDXNWHRSA-N 279.789 1.230 50 50 CDGA N=[S@@]1(=O)CCN(C(=O)CCl)c2ccccc21 1875377242 BAHIXMNQIMFPID-MRXNPFEDSA-N 258.730 1.678 50 50 CDGA COc1ccccc1/C(=N/NC(=O)c1ccncc1)C(=O)O 5676405 BCSZFBLNXUWCEW-LGMDPLHJSA-N 299.286 1.309 50 50 CDGA O=C(Nc1ccnn1-c1ncccn1)[C@@H](F)Cl 2325901404 DJPNCZQVTFEWCD-SSDOTTSWSA-N 255.640 1.135 50 50 CDGA O=[N+]([O-])c1ccccc1Oc1cccc(B(O)O)c1 169747444 VXKDGJZAMJMTPY-UHFFFAOYSA-N 259.026 1.067 50 50 CDGA in-vitro CCn1ncc(C(=O)NN(C)c2ccncc2)c1C 1615585646 FQRBCNBSYBUYKP-UHFFFAOYSA-N 259.313 1.388 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cccc2c1CN(C)C2=O 1859535939 FKJQSEABGDDSIK-SSDOTTSWSA-N 252.701 1.838 50 50 CDGA Cc1cc2c(c(=O)o1)[C@H](c1cccnc1)C(C#N)=C(N)O2 281034 YIZOUIBDVWBMDY-GFCCVEGCSA-N 281.271 1.561 50 50 CDGA Cc1cccc(C(=O)Nc2ccc(C(=O)NN)cc2)c1 4520332 PMYKOWXSAIQPNO-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA C[C@@H](Cl)C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 1875364060 HTVYHUGQOMKOQD-KRTXAFLBSA-N 289.162 1.784 50 50 CDGA CC(C)[C@H](NC(=O)[C@H](C)Cl)C(=O)N1CCCCC1 1875376326 SNNDNPOGMOVBCA-QWRGUYRKSA-N 274.792 1.767 50 50 CDGA Cc1cccc([C@@H](CNC(=O)CCl)N2CCOCC2)c1 1116437576 IIBRYUPZBAWWPG-CQSZACIVSA-N 296.798 1.723 50 50 CDGA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCl 160066 SRNHCPUGVKCQNI-UHFFFAOYSA-N 287.699 1.668 50 50 CDGA C[C@H](O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2894583 QNWLTFBACLNEHB-ITTMYVLYSA-N 265.269 1.206 50 50 CDGA CCc1c(C)sc(NC(=O)CCl)c1C(N)=O 6122942 ZFRLIKGRVLJSQK-UHFFFAOYSA-N 260.746 1.895 50 50 CDGA O=C1NC(=O)c2cc(NC(=O)C(Cl)Cl)ccc21 4813964 DFZAEAFQBGTEPE-UHFFFAOYSA-N 273.075 1.312 50 50 CDGA C[C@@H](NC(=O)CCl)c1cn(-c2ccccc2)nn1 1875364104 IPBWYHXSKNFLHX-SECBINFHSA-N 264.716 1.683 50 50 CDGA O=C(CCl)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1327533044 OPYVLMOVMAEJIW-CQSZACIVSA-N 285.746 1.818 50 50 CDGA Cc1occc1C(=O)NNC(=O)CCc1ccccc1 378960 CGUWNPSBUREKIL-UHFFFAOYSA-N 272.304 1.982 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccccc1 100507953 DDEHJEMTOGTCDF-BVTUPMQUSA-N 286.335 1.429 50 50 CDGA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc(O)nc1 585127633 GBBKAQGLURNPGC-NHCYSSNCSA-N 289.335 1.375 50 50 CDGA Cc1cc(C[C@H]2CCC[C@H]2NC(=O)CCl)n(C)n1 1875366325 ACTXVQCWNHXYSK-ZYHUDNBSSA-N 269.776 1.795 50 50 CDGA O=C(Nc1cccc(F)c1)c1ccc(B(O)O)cc1Cl 169744349 MYLHTVQNMVEHCV-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O 4602397 PSWOBQSIXLVPDV-CXUHLZMHSA-N 271.276 1.560 50 50 CDGA in-man N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 43696 GIIJAICGWYGVLW-CYBMUJFWSA-N 267.288 1.896 50 50 CDGA CCCCCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 2864887 WYIJTHIOQLEZLO-UHFFFAOYSA-N 279.296 1.936 50 50 CDGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 3153509 SUPPJSQLRTUWGW-LICLKQGHSA-N 285.278 1.915 50 50 CDGA C[C@@]12C[C@@H](OC1=O)[C@H](Br)C[C@H]2C(=O)O 5921134 IXVHQBAAHQDSCF-VODXULPGSA-N 263.087 1.176 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC(n2nnc3c2CCCC3)CC1 1875364938 YIUWTBOULWXSFQ-SNVBAGLBSA-N 296.802 1.948 50 50 CDGA CC[C@H](Oc1cccc(Br)c1)C(=O)NN 276175 BKKYAYQAHAKVLW-VIFPVBQESA-N 273.130 1.596 50 50 CDGA O=C(O)c1ccc(CNC(=O)C(Cl)Cl)cc1 612041 VKKCVMBWTPMRJH-UHFFFAOYSA-N 262.092 1.805 50 50 CDGA COc1ccc(C(=O)CCl)c(O)c1OC(=O)CCl 226864890 YLVDRSBTUKURAS-UHFFFAOYSA-N 293.102 1.967 50 50 CDGA C[C@@H](Cl)C(=O)N1CC[C@H](NC(=O)CC(F)(F)F)C1 1875378273 YMMMMFZVYNVUTC-RQJHMYQMSA-N 286.681 1.283 50 50 CDGA CCc1n[nH]c(C(=O)N/N=C/c2cccnc2)c1C 350655 MPOPPMWAPHTFBB-OVCLIPMQSA-N 257.297 1.439 50 50 CDGA OB(O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1 169746897 GIZQTQOXIWPFOA-UHFFFAOYSA-N 257.926 1.404 50 50 CDGA Cc1ccccc1OCC(=O)N/N=C/c1ccc[nH]1 433360 PIZYMGWTZKACDU-CXUHLZMHSA-N 257.293 1.852 50 50 CDGA CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1F 2897980 VMDKAQZNCKJBDB-LZYBPNLTSA-N 265.288 1.048 50 50 CDGA C[C@H](Cl)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 4226858 HXBIRCNCAWHVGU-ZETCQYMHSA-N 253.685 1.852 50 50 CDGA COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)CCl 1875374951 LMWIQBTWMFMVHT-CMPLNLGQSA-N 283.755 1.762 50 50 CDGA O=C(CCl)NCc1nnc(-c2ccncc2F)s1 1875377628 JBSHWIHTFCROKL-UHFFFAOYSA-N 286.719 1.594 50 50 CDGA COC(=O)c1cc(/C=C(\C#N)C(=O)O)c(OC)cc1OC 163691 MVFMPALMJCRNEZ-RUDMXATFSA-N 291.259 1.482 50 50 CDGA CCCCN(CCCC)Cc1ccccc1B(O)O 203194412 UYGOKYDZHFQKCV-UHFFFAOYSA-N 263.190 1.769 50 50 CDGA Cc1cc(C)nc(NNC(=O)[C@@]2(N)C[C@@H]2c2ccccc2)n1 911883917 SFEIKWSNRYCJAG-CZUORRHYSA-N 297.362 1.422 50 50 CDGA CC1=NN(C(=O)C(C)C)[C@@](C)(NNC(=O)C(C)C)C1 432695 LASRJPWJWHGWEP-CYBMUJFWSA-N 268.361 1.244 50 50 CDGA Cc1nn(Cc2ccc(C(=O)NN)o2)c(C)c1Cl 523540 PEVTUFBRMDVHAE-UHFFFAOYSA-N 268.704 1.398 50 50 CDGA O[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430936 USSVIHRJYFGQCJ-FCAWWPLPSA-N 283.599 1.810 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 1875366461 LNAJBVITHDJLGY-FSPLSTOPSA-N 269.654 1.767 50 50 CDGA CCNC(NCC)=C(C#N)c1nc2ccccc2n1C 170602598 AMMFEEDBUSFMLM-UHFFFAOYSA-N 269.352 1.984 50 50 CDGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1F 47789 ONZBXDLETRZAEB-RQZCQDPDSA-N 297.293 1.721 50 50 CDGA C[C@H](Cl)C(=O)N(C)Cc1ccc(Cn2cncn2)cc1 1875364220 JWLCMSMFRLQLNY-NSHDSACASA-N 292.770 1.912 50 50 CDGA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CCl 3346499 YCPNAYAAEMIXMZ-QMMMGPOBSA-N 252.701 1.989 50 50 CDGA OB(O)c1cc(Cl)c(Br)c(Cl)c1 642814330 FIIAWVYUPICPON-UHFFFAOYSA-N 269.718 1.436 50 50 CDGA C[C@@H](Cl)C(=O)N1CC=C(c2ccnn2C)CC1 1875378078 VHZQMLVCZIDBPB-SECBINFHSA-N 253.733 1.663 50 50 CDGA C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](C)Cl)C1CC1 1875364492 SNOGNAANIJPFCI-JGVFFNPUSA-N 267.778 1.038 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2O)c1 3008916 OEKFZXJAJKFJRN-LICLKQGHSA-N 297.314 1.789 50 50 CDGA CCOC(=O)C(CBr)CBr 1752915 GKSCTYSHDIGNGC-UHFFFAOYSA-N 273.952 1.956 50 50 CDGA in-vitro C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CCl 3346500 YCPNAYAAEMIXMZ-MRVPVSSYSA-N 252.701 1.989 50 50 CDGA N#C[C@H]1N(C(=O)CCl)CCC[C@]12CCCCO2 1875303432 WWYUJFPCHQWCAQ-ZYHUDNBSSA-N 256.733 1.679 50 50 CDGA O=C(Nc1ccc(Cl)cc1)c1cccc(B(O)O)c1 169808976 KBHSCCBYOWTUJD-UHFFFAOYSA-N 275.500 1.272 50 50 CDGA in-vitro C[C@H]1CN(CCCCNC(=O)CCl)C[C@H](C)O1 1253968785 TUSAWQYRSAMYGX-QWRGUYRKSA-N 262.781 1.231 50 50 CDGA CC(C)(C)Oc1ccc(B(O)O)cc1Br 169934807 ASHARAKWVAFYLC-UHFFFAOYSA-N 272.935 1.306 50 50 CDGA CC(C)(C)OC(=O)N1CC[C@@H](Br)[C@H](O)C1 74934353 KIWHIAGYBKVHMO-HTQZYQBOSA-N 280.162 1.752 50 50 CDGA CC[C@H](NC(=O)CCl)c1nnc2n1CCCCC2 1324705769 ASGVTVNDYUISHC-VIFPVBQESA-N 270.764 1.811 50 50 CDGA COCCNC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1875390636 HSHXELDKDNTRCZ-CCWJISBRSA-N 265.357 1.744 50 50 CDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 50144 CXAUWNQUZMMPGF-MRXNPFEDSA-N 295.298 1.464 50 50 CDGA CC1(C)C[C@](CC(=O)NN)(c2ccccc2)CCO1 288895 ZYDUNRSAXFSBTC-HNNXBMFYSA-N 262.353 1.893 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 1875363982 GPZREVQMRLBHBX-UWVGGRQHSA-N 280.755 1.708 50 50 CDGA OB(O)c1ccc(Oc2cc(F)cc(F)c2)cc1 169746445 LIKIWPBJKMQKEP-UHFFFAOYSA-N 250.009 1.437 50 50 CDGA in-vitro Cc1cc2nc(SCC(=O)NN)[nH]c2cc1C 31324 AYCXDQHIVYLKFI-UHFFFAOYSA-N 250.327 1.262 50 50 CDGA O=C(CCl)NCc1cc2oc(=O)[nH]c2cc1Cl 4783908 PHRIQDVLXFTRBL-UHFFFAOYSA-N 275.091 1.630 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2ccc(N)cc2)C1 100191143 HTETVHFZSGIYQT-UHFFFAOYSA-N 273.336 1.776 50 50 CDGA N#CC(C#N)=CNn1cc(-c2ccccc2)nc1N 226855002 SQPPJKZHNNCJGA-UHFFFAOYSA-N 250.265 1.607 50 50 CDGA C[C@@H](NC(=O)CCl)[C@@H]1CCCN(C2CCC2)C1 1875377838 OZQWNUVGDHVQON-GHMZBOCLSA-N 258.793 1.994 50 50 CDGA CN(C(=O)CCl)[C@@H]1CCN(c2ccccc2)C1=O 1323269876 QVYRJPYFUZPCQU-LLVKDONJSA-N 266.728 1.489 50 50 CDGA Cn1cc(C(=O)N/N=C/c2ccccc2)ccc1=O 436353 FLRJVIBCOKLMLW-OQLLNIDSSA-N 255.277 1.149 50 50 CDGA COc1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C 169919030 BEXQWPHMBFKSLF-UHFFFAOYSA-N 291.112 1.113 50 50 CDGA Nc1nonc1C(=O)N/N=C/c1c(F)cccc1Cl 275806 JLWORBCDSPNDBB-LNKIKWGQSA-N 283.650 1.208 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1875376377 VCYFKCSVCAMVHZ-ZJUUUORDSA-N 286.763 1.025 50 50 CDGA CC(=O)NNC(=O)Nc1cc2sc(=O)n(C)c2cc1C 585119569 LJBXTCUXRYWKLU-UHFFFAOYSA-N 294.336 1.081 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccccn2)cc1OC 227971 PBQLZYNSQIYWOY-LICLKQGHSA-N 285.303 1.863 50 50 CDGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1 8558738 QBDZHLUAYCGRJB-UHFFFAOYSA-N 289.335 1.452 50 50 CDGA CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](C)Cl)C1(C)C 1875376221 PGLGQILWVVMOTI-SBMIAAHKSA-N 263.765 1.296 50 50 CDGA O=C(CCl)NCc1nc(-c2ccccc2)n[nH]1 1319785887 NMCHYGGIBGBPJJ-UHFFFAOYSA-N 250.689 1.327 50 50 CDGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(N)=O 2493720 AUGCKRROZYJYHQ-LREOWRDNSA-N 295.092 1.570 50 50 CDGA N#CC1=C(N)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 1294999 MXKCTEAOEQNIOY-JTQLQIEISA-N 272.699 1.640 50 50 CDGA N#CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100639693 DQNCYYOHSXGOGR-SECBINFHSA-N 250.254 1.672 50 50 CDGA C[C@@H](C[C@H](C)C(=O)OC(=O)CCCC(=O)O)C(=O)O 100381941 ZOBBGSOYWMUTIM-YUMQZZPRSA-N 274.269 1.058 50 50 CDGA CCOc1ccc(/C=N\NC(=O)Nc2nonc2N)cc1 32609454 FKFUNBRUEKIFKU-AUWJEWJLSA-N 290.283 1.206 50 50 CDGA CO[C@H]1C[C@@H]2CN(C(=O)CCl)Cc3cccnc3N2C1 1875374798 FKHUXMYLDCSJAY-NEPJUHHUSA-N 295.770 1.256 50 50 CDGA O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 1875364045 HPLVVURRUODBLK-LBPRGKRZSA-N 280.755 1.231 50 50 CDGA Cn1nccc1CNS(=O)(=O)CCCCCCl 585139553 XOSKXPZSPPRYAQ-UHFFFAOYSA-N 279.793 1.249 50 50 CDGA O=C(N/N=C/c1ccncc1)[C@@H]1COc2ccccc2O1 291153 RPWBJAXMFQMTPY-VEJKBTLKSA-N 283.287 1.372 50 50 CDGA Cc1c(Cl)cccc1NC(=O)NNC(=O)C[C@@H](C)O 5060171 LNDUTZPGRPJDNH-SSDOTTSWSA-N 285.731 1.572 50 50 CDGA Cc1cc(B(O)O)c(C)cc1NC(=O)OC(C)(C)C 169955219 IRTMEXWRJSQXPE-UHFFFAOYSA-N 265.118 1.330 50 50 CDGA N#Cc1cccc2c1-c1ccccc1/C2=N/NC(N)=O 100422519 VHLGTTQJSLOIFI-JXAWBTAJSA-N 262.272 1.959 50 50 CDGA O=C1ON=C(CCl)/C1=C\c1ccc(O)c(O)c1 34926747 NIMYWFCBMPZRTE-XVNBXDOJSA-N 253.641 1.633 50 50 CDGA Cc1c(Br)ccc2nc(C(=O)NN)cn12 97756691 YZCPEDXGOPKYRC-UHFFFAOYSA-N 269.102 1.009 50 50 CDGA CC(C)OC(=O)/C(C#N)=C/c1ccc(C(=O)O)n1C 585135936 JLTDDKCTTCRVQE-RMKNXTFCSA-N 262.265 1.582 50 50 CDGA OB(O)c1cccc(OCc2ccccc2Cl)c1 169877120 XHGOCNFADOJUMW-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro Cc1ccc(O)c(/C=N\NC(=O)c2ccnn2C)c1 22019011 JJRIMVDHCUOERN-ZSOIEALJSA-N 258.281 1.198 50 50 CDGA O=C(CC[C@@H]1NC(=O)OC1=O)OCc1ccccc1 100023048 UGCBVSDSTGUPBC-JTQLQIEISA-N 263.249 1.145 50 50 CDGA in-vitro CCOC(=O)/C(C#N)=C/N=c1\ccc(Cl)cn1C 5591954 ROXMDCWCSDGSFD-WWLYHRSJSA-N 265.700 1.550 50 50 CDGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2 187808 KADZEDCIHBQXHS-ZDUSSCGKSA-N 296.282 1.872 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1cccc(F)c1 5792611 QMPZOGCZUULMBL-AWNIVKPZSA-N 264.285 1.750 50 50 CDGA CCCc1n[nH]c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 5092568 ZAWHBVFQCAKSTI-GFCCVEGCSA-N 281.319 1.975 50 50 CDGA COc1ccc(OC)c2c1CN(C(=O)[C@@H](C)Cl)C[C@H]2O 1875363583 KSRCNZMRVXYNLE-PSASIEDQSA-N 299.754 1.707 50 50 CDGA C[C@@H](Cl)C(=O)N(C)C1CCN(CCn2cccn2)CC1 1875363727 VURLORRHJIYYPE-GFCCVEGCSA-N 298.818 1.433 50 50 CDGA CCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1 169745638 JXQDQZJKWVFJKV-UHFFFAOYSA-N 283.136 1.029 50 50 CDGA in-vitro O=C(CCl)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 1875378104 VTBWBTSFLIMNBW-DGCLKSJQSA-N 271.719 1.647 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1O 95645 ZTQOQTRATCODQB-AWNIVKPZSA-N 291.219 1.363 50 50 CDGA O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1Cl 1212234 IZZMTICIQYLLMZ-JTQLQIEISA-N 268.700 1.280 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)C1[C@H]2CCCC[C@H]12 100300265 YSLAVDGJVHQUCM-HELSFGJNSA-N 274.320 1.984 50 50 CDGA Cc1cc(OCc2ccccc2)c(F)c(B(O)O)c1 169964618 KZEHWXNRIWYFKV-UHFFFAOYSA-N 260.073 1.393 50 50 CDGA OB(O)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 169978128 XVRJRYNJPKWODD-UHFFFAOYSA-N 283.014 1.573 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2ccco2)c1O 435969 GBRAAYIPWSKYJP-UHFFFAOYSA-N 260.249 1.368 50 50 CDGA C[C@H](c1ccccn1)N(C)CCNC(=O)CCl 1875368194 XYWWPVUHWBEIHQ-SNVBAGLBSA-N 255.749 1.429 50 50 CDGA C[C@@H]1[C@H](NC(=O)CCl)CC(=O)N1Cc1ccccc1 1875375315 YURYSHMDHRQWEW-ZYHUDNBSSA-N 280.755 1.531 50 50 CDGA CC(C)[C@H](NC(=O)CCl)c1nnc2n1CCC2 1875363946 FNRPXKFJXBUCJD-JTQLQIEISA-N 256.737 1.276 50 50 CDGA Cc1onc(-c2ccccc2Cl)c1C(=O)NN 93081 VECXHNOGNQTCGQ-UHFFFAOYSA-N 251.673 1.907 50 50 CDGA O=C1c2ccccc2C(=O)N1CCOCCCl 2557118 DCWWMFNXTOGDNJ-UHFFFAOYSA-N 253.685 1.538 50 50 CDGA CN(C)C(=O)c1cccc(CNC(=O)CCl)c1 521239059 KDJGVAWPRAMUMM-UHFFFAOYSA-N 254.717 1.243 50 50 CDGA CC(C)OC(=O)/C(C#N)=C\c1cc(C(=O)O)n(C)c1 585135988 LFHWHPODAXGVQO-WMZJFQQLSA-N 262.265 1.582 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)c2ccco2)cc1 227751 XNLVXAJGTRDQFB-OQLLNIDSSA-N 272.260 1.830 50 50 CDGA OB(O)c1cc(Cl)ccc1OCc1ccccc1 169745308 SLERXVFZNNSBIX-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA O=C(/C=C/C1CCC1)NN=c1cc[nH]cc1Cl 492638036 AHDFKYHICZFSIT-SNAWJCMRSA-N 251.717 1.956 50 50 CDGA O=C(Nc1nc2ccc(Cl)cn2n1)[C@H](F)Cl 2325901419 FANLSDFTNISUGE-LURJTMIESA-N 263.059 1.856 50 50 CDGA CC/C=C1/CCN(C(=O)NNC(=O)c2ccon2)C1 2325780686 HSXVSLXMMKWASY-OQFOIZHKSA-N 264.285 1.071 50 50 CDGA O=C(O)COc1ccc(C(=O)CBr)cc1 2572854 RLSUZPAAQRBGTM-UHFFFAOYSA-N 273.082 1.728 50 50 CDGA in-vitro COc1ccc(O)c(/C=N/NC(=O)CNc2ccccc2)c1 251797 WLPHEQGDKSQEGH-VCHYOVAHSA-N 299.330 1.963 50 50 CDGA COC(=O)c1cccc2c1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 101021405 FMXJBHKQHZUJOY-NRMKKVEVSA-N 284.267 1.540 50 50 CDGA CCC(=O)N1CC[C@@H](NC(=O)CCl)[C@@H](CC)C1 1875379210 OFIXQWZUFQOLGJ-VHSXEESVSA-N 260.765 1.379 50 50 CDGA CN(C)/C=N/NC(=O)c1cccc(Br)n1 953025717 ZECIQTNFCLSJLP-IZZDOVSWSA-N 271.118 1.079 50 50 CDGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cccc(O)c1)C(=O)N2 5730648 YKESLXCXKOIQIB-UHFFFAOYSA-N 295.298 1.787 50 50 CDGA C/C(=N\NC(=O)c1cccnc1)c1ccccc1O 13736770 XZBFPORYCXUBMI-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA C[C@@H](O)CN(C)NC(=O)c1csc(N2CCCCC2)n1 910146585 LBCLIIZFGSTRDK-SNVBAGLBSA-N 298.412 1.091 50 50 CDGA CC(C)N(Cc1ccc(F)cc1B(O)O)C(C)C 169934748 LJPSUMCMXGDHJI-UHFFFAOYSA-N 253.126 1.124 50 50 CDGA C/C(NC1CCCCCCC1)=C(\C#N)C(=O)NC(N)=O 252508386 XMMFBWFHYZYWBC-BENRWUELSA-N 278.356 1.681 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1875375972 KYFQAQGFJPWOTO-BHNWBGBOSA-N 253.676 1.544 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1cnc(C2CC2)nc1 1875377466 FFAZCMSRUAJIGD-MRVPVSSYSA-N 253.733 1.640 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 292981 JPZHOFSRNXIITG-UHFFFAOYSA-N 299.286 1.978 50 50 CDGA CCN(CC)C(=O)C(=O)N/N=C/c1cccc(OC)c1 2903584 DXOOVLKSCPNLDU-XNTDXEJSSA-N 277.324 1.014 50 50 CDGA CCCC(=O)NNC(=O)Cc1ccc(OC)cc1 4679827 WQJYQSKBXIOYIQ-UHFFFAOYSA-N 250.298 1.185 50 50 CDGA C[C@H](Cl)C(=O)N1CC[C@]2(CCCN(C)C2=O)C1 1875368005 IFKLFZFCGANKDZ-JOYOIKCWSA-N 258.749 1.085 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccccc21 169743856 SVIBPSNFXYUOFT-UHFFFAOYSA-N 261.086 1.104 50 50 CDGA in-vitro COC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 142559 KEEUWAUVDGQLBG-UHFFFAOYSA-N 250.298 1.985 50 50 CDGA COCCc1ccc(OCc2ccccc2B(O)O)cc1 169877347 AIHKULKLGCOJRY-UHFFFAOYSA-N 286.136 1.134 50 50 CDGA in-vitro CN(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 227926 IHOLPSNEPCVQJS-GZTJUZNOSA-N 268.320 1.912 50 50 CDGA NNC(=O)Cc1ncc(C(F)(F)F)cc1Cl 2576527 FTIUWFCVGODUIV-UHFFFAOYSA-N 253.611 1.286 50 50 CDGA CC1(C)CC(NC(=O)CBr)CC(C)(C)N1[O] 84466223 RAOLMQDPNYDCEF-UHFFFAOYSA-N 292.197 1.865 50 50 CDGA CC(C)c1nc([C@H]2CN(C(=O)[C@H](C)Cl)CCO2)no1 1875380539 RRWDKZKHNNEDLC-DTWKUNHWSA-N 287.747 1.720 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 295402 VFOAAIIORKZVIH-MDWZMJQESA-N 259.221 1.952 50 50 CDGA O=C(NNC(=O)c1ccncc1)NC1CCCCC1 245473 DFJRWKJKBJOFLT-UHFFFAOYSA-N 262.313 1.358 50 50 CDGA C#Cc1ccc([C@@H](CC(=O)OC)NC(=O)CCl)c(F)c1 1875390121 LUGCRXGJUAZQKQ-GFCCVEGCSA-N 297.713 1.766 50 50 CDGA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)Cl)o1 1875380199 IBAPMIXETHLUPZ-YEPSODPASA-N 290.726 1.038 50 50 CDGA CC(=O)NNC(=O)COc1ccc(Cl)cc1C 2711765 NCLJHDNUDJEYGB-UHFFFAOYSA-N 256.689 1.195 50 50 CDGA CN(C)C(=O)c1ccc(CNC(=O)CCl)cc1 238860564 ZYJYMDCXZLHUEK-UHFFFAOYSA-N 254.717 1.243 50 50 CDGA C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CCl 1875374862 HRBQAAGFBFGFNL-VIFPVBQESA-N 279.727 1.140 50 50 CDGA O=C1N[C@@]2(CI)CCC[C@H]1C2 1535543378 AFTLFASGCHYHNR-XPUUQOCRSA-N 265.094 1.480 50 50 CDGA COc1ccc(/C(C)=N/NC(=O)c2cc(C)n[nH]2)cc1 229510 UXPHPSUSSUXCSV-MHWRWJLKSA-N 272.308 1.881 50 50 CDGA CCOC(=O)/C(C#N)=C1/C=C(C)N=C(c2ccccc2O)N1 13130805 AUDYFCXXXXNXQM-SEYXRHQNSA-N 297.314 1.987 50 50 CDGA Cn1nccc1[C@@H](NC(=O)CCl)c1ccccc1 1875374893 IOXRWRTWESFAKG-ZDUSSCGKSA-N 263.728 1.865 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1O 228821 IOWSAUOULFUSPW-GIJQJNRQSA-N 294.314 1.892 50 50 CDGA CCC[C@H](NC(=O)[C@@H](C)Br)C(=O)O 1699065 IHAIHVWQEFQBFU-RITPCOANSA-N 252.108 1.139 50 50 CDGA Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1B(O)O 170016990 IUCOAYFXTMYEQP-UHFFFAOYSA-N 269.081 1.161 50 50 CDGA CN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(Cl)c1 170002508 LWLFKMPTLABYQZ-UHFFFAOYSA-N 285.536 1.391 50 50 CDGA O=C(CCl)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 1875369939 RVOUNXFMYZOWEG-SECBINFHSA-N 291.731 1.399 50 50 CDGA Cc1[nH]nc2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 18286725 HMUNAHGDBDCYKK-LBPRGKRZSA-N 268.276 1.642 50 50 CDGA biogenic,in-vitro C[C@H]1[C@H](O)[C@]2(CO)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257356739 JYRSAHCTGWKYOA-MPLKPFFPSA-N 288.460 1.907 50 50 CDGA COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)CCl)cc1 1875378171 WQQWSLHSPOURIW-JSGCOSHPSA-N 283.755 1.958 50 50 CDGA NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170590955 ILCMGVQELJAIKW-UHFFFAOYSA-N 272.186 1.359 50 50 CDGA CC(=O)OCC1=C(C)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)OC(=O)[C@@H]43)[C@@H]12 254772407 VPXMMTSODBQIDG-OEXQXWKBSA-N 288.299 1.244 50 50 CDGA OB(O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 169877191 GLLLLVYDIZNTKE-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA in-vitro Cc1nnc([C@@H](NC(=O)CCl)c2ccccc2)n1C 1875364702 QVNOWNVIXAEKGO-LBPRGKRZSA-N 278.743 1.568 50 50 CDGA CCOC(=O)C1=C(N)OC(N)=C(C#N)[C@H]1c1ccccc1 407995 MJFZKXTXVRVCKK-LLVKDONJSA-N 285.303 1.228 50 50 CDGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccs1 874888 SSNCPSUYCHDGAP-ZETCQYMHSA-N 293.373 1.305 50 50 CDGA Cc1ccc(OCC(=O)N/N=C\c2ccncc2)cc1 32565781 WAPVBNMWZLBBNI-YVLHZVERSA-N 269.304 1.919 50 50 CDGA COc1ccccc1OCC(=O)NNC(=O)C(C)(C)C 5044371 CYWTZILDDVPUMW-UHFFFAOYSA-N 280.324 1.268 50 50 CDGA CC(=O)[C@@H]1C=C[C@H](c2ccccc2)[C@H]2C(=O)OC(=O)[C@@H]12 252428253 VVSZEDVVBWRLRF-RFQIPJPRSA-N 270.284 1.861 50 50 CDGA O=C(NNc1ncnc2ccccc12)c1ccc[nH]1 585157888 DJSIVHDPGXQDCU-UHFFFAOYSA-N 253.265 1.715 50 50 CDGA C#Cc1ccc([C@H](CC(=O)OC)NC(=O)CCl)c(F)c1 1875390122 LUGCRXGJUAZQKQ-LBPRGKRZSA-N 297.713 1.766 50 50 CDGA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)CCl)C1 1875377557 HCLWRVBSCOFDPR-NSHDSACASA-N 266.728 1.319 50 50 CDGA C=C(C)C(=O)OC[Si](OCC)(OCC)OCC 169806720 UZIAQVMNAXPCJQ-UHFFFAOYSA-N 262.378 1.693 50 50 CDGA CCNC(=O)N(C)NC(=O)/C=C(\C)c1cccc(OC)c1 222241142 UKXUTAVUBAYFDM-PKNBQFBNSA-N 291.351 1.791 50 50 CDGA O=C(CBr)Nc1ccc([N+](=O)[O-])cc1 5513639 XSKCUIFGKBMFOW-UHFFFAOYSA-N 259.059 1.928 50 50 CDGA in-vitro COC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 2795824 YMKQWEVZPPOJHK-BJMVGYQFSA-N 277.276 1.792 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]1C1c3ccccc3C2(O)c2ccccc21 100814136 LNMNOCUGQYJRRK-DGSCNEQVSA-N 292.290 1.697 50 50 CDGA O=S(=O)(NCCBr)c1cccc(F)c1 15442754 UPIBQBRLHVEYEP-UHFFFAOYSA-N 282.134 1.499 50 50 CDGA O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@]2(C(=O)Nc2ccccc2)CC1 670432230 KTDXWUFTHSEOND-YRZLHWLASA-N 297.310 1.907 50 50 CDGA CC(C)C(=O)NC[C@H]1CCCN(C(=O)CCl)C1 1320466001 BRXJLFSELBQBJB-SNVBAGLBSA-N 260.765 1.236 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccco1 72984 QCTSYWUGMJRLFV-LZYBPNLTSA-N 268.276 1.780 50 50 CDGA Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 229170 MYXFVFKPUVVMAP-NTUHNPAUSA-N 273.252 1.390 50 50 CDGA Cc1ccccc1/C=N/NC(=O)Cc1nnc(N)s1 66402 WQJBCWVTKZNQMJ-VGOFMYFVSA-N 275.337 1.122 50 50 CDGA CC#CC[C@@H](CO)N(Cc1ccc(C)o1)C(=O)CCl 1875382690 MDNRJJAODJTPAM-LBPRGKRZSA-N 283.755 1.930 50 50 CDGA C[C@@H](Cl)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 1875363576 KCOPLIMKZJACBU-PSASIEDQSA-N 266.728 1.856 50 50 CDGA OB(O)c1ccc(COc2ccccc2Cl)cc1 169926319 IEBHOOOPDUHDCB-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(CCl)N1CCN(Cc2ccccc2)CC1 19229902 LIOGCDLRYPBMGH-UHFFFAOYSA-N 252.745 1.570 50 50 CDGA in-vitro C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCl 307653558 LLGZTABCADAUIW-YPMHNXCESA-N 266.772 1.862 50 50 CDGA COC(=O)[C@H](CBr)NC(=O)OC(C)(C)C 16697136 ODLDPRMMKCMNMD-LURJTMIESA-N 282.134 1.448 50 50 CDGA in-vitro CN(NC(=O)[C@H]1CSCCS1)c1ccncc1 1615585909 HZLORGVUIOVGSC-SNVBAGLBSA-N 269.395 1.398 50 50 CDGA CC(C)(C)[Si](C)(C)OCCc1ccccc1B(O)O 169743984 IYNGSWXPLWIRBQ-UHFFFAOYSA-N 280.249 1.931 50 50 CDGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1 2553787 INMSMJFLRVJIKX-WOJGMQOQSA-N 296.330 1.733 50 50 CDGA CCOC(=O)[C@H]1C(=S)NC(N)=C(C#N)C12CCCCC2 32871 HNNBLTFWBWTBNH-SNVBAGLBSA-N 293.392 1.741 50 50 CDGA C[C@@]1(CNC(=O)C2CCNCC2)C[C@H]1Br 1328918403 KHTCQXONWQZKQE-KOLCDFICSA-N 275.190 1.276 50 50 CDGA C=CC(=O)OC[C@@H](Br)CBr 5192880 MUKJDVAYJDKPAG-YFKPBYRVSA-N 271.936 1.874 50 50 CDGA in-vitro C[C@@H]1CN(C(=O)c2ccoc2)CCN1C(=O)[C@H](F)Cl 2325901375 BRBCQVXBSHPYSQ-SCZZXKLOSA-N 288.706 1.487 50 50 CDGA CO[Si](CCCI)(OC)OC 170159309 NILZGRNPRBIQOG-UHFFFAOYSA-N 290.173 1.690 50 50 CDGA O=S(=O)(OCCBr)c1ccccc1 2173392 CBSIEJGODQIOKA-UHFFFAOYSA-N 265.128 1.787 50 50 CDGA Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 32511886 MMQUVWFVRTWNKN-GFCCVEGCSA-N 297.274 1.845 50 50 CDGA CCOCCOCCOC(=O)[C@@H](C)Br 71783463 PMRVOXXBABVWRM-MRVPVSSYSA-N 269.135 1.366 50 50 CDGA O=C(NCCCCO)[C@]12CCC[C@H]1[C@@H]2Br 585121366 NJQYQETVCCOSFX-ATZCPNFKSA-N 276.174 1.439 50 50 CDGA O=C(CCl)NCCCC(=O)N1CCOc2ccccc21 1875364769 TTXYKQBDICVPLT-UHFFFAOYSA-N 296.754 1.547 50 50 CDGA OB(O)c1cccc(COc2ccc(Cl)cc2)c1 169926320 PCSYEFAEONRRRW-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro Cc1ccc(O)c(/C=N\NC(=O)c2cnccn2)c1 15658675 LIAZLFFBHWZLIC-APSNUPSMSA-N 256.265 1.255 50 50 CDGA Cc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)c(C)c1 169744347 ABZHIOWSYAKZNL-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccncc1 2379928 FACZRAUMFANPTB-LICLKQGHSA-N 282.303 1.479 50 50 CDGA O=C(CNC(=O)C(Cl)Cl)c1ccc([N+](=O)[O-])cc1 101362692 ZVLXQMXOFISFJJ-UHFFFAOYSA-N 291.090 1.697 50 50 CDGA OB(O)c1cc(Cl)cc(Br)c1Cl 725240009 UBPASQAXQSYNRH-UHFFFAOYSA-N 269.718 1.436 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1875375581 FCSZTHICRCBCDE-ONGXEEELSA-N 279.789 1.041 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1cccnc1 347922 YKUFPSNDHXRMFP-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Cl)cc21 169745727 AHUWHEZTYPWOCY-UHFFFAOYSA-N 295.531 1.758 50 50 CDGA in-vitro COc1cc(/C=N/NC(=O)CC#N)cc(OC)c1OC 143681 MMBHNFSBXKQTMZ-OVCLIPMQSA-N 277.280 1.076 50 50 CDGA COc1ccc(/C=N/NC(=O)c2nonc2C)cc1 265080 ZBBUFTYNLFVNRD-NTUHNPAUSA-N 260.253 1.151 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccc([N+](=O)[O-])c1 2271327 KQIBBFRZHGAINV-UHFFFAOYSA-N 299.315 1.813 50 50 CDGA C=CCNC(=S)NNC(=O)c1ccc(C)cc1Cl 4619146 SCMBMEVNRRCLNB-UHFFFAOYSA-N 283.784 1.943 50 50 CDGA Cc1cc(C)c2c(NC(=O)CCl)nn(C)c2n1 1399381 PXPTVPPDPSUFIP-UHFFFAOYSA-N 252.705 1.762 50 50 CDGA CN(C[C@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCl 1875377413 DJEDSSAZLASQGE-HIFRSBDPSA-N 296.798 1.756 50 50 CDGA O=C(O)/C(=N\NC(=O)c1ccncc1)c1ccc(O)cc1 5714513 DCJMXFLFENKPHL-VBKFSLOCSA-N 285.259 1.006 50 50 CDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccncc2)cc1 2553820 YCZYYIYNGGEZCJ-VXLYETTFSA-N 296.330 1.270 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccc(O)cc2O)cc1 446384 FMNDZPRNVUXDDY-UHFFFAOYSA-N 286.287 1.481 50 50 CDGA CCCCOc1cc(Br)cc(B(O)O)c1 169747452 OWWZXOTWNAQSTF-UHFFFAOYSA-N 272.935 1.308 50 50 CDGA in-vitro NC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 247421 PPJWLXQCNMOYAR-VGOFMYFVSA-N 274.236 1.857 50 50 CDGA CCOC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1C 2141509 GJHKTHRPYPXFFW-UHFFFAOYSA-N 282.256 1.686 50 50 CDGA O=C(CCl)NCCc1cnc2c(Cl)cnn2c1 1875374782 FAFJGFRRNQQURH-UHFFFAOYSA-N 273.123 1.280 50 50 CDGA O=C(CCl)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1319785508 FHPVHVRSEFPAOT-LLVKDONJSA-N 296.754 1.021 50 50 CDGA OB(O)c1cc(Cl)c(F)c(OCc2ccccc2)c1 169955399 UJLHRCGDOSEYSC-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA O=S(=O)(F)[C@@H](Br)CBr 196689455 NIJDNCLEFCJVRL-UWTATZPHSA-N 269.917 1.402 50 50 CDGA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCl 1875378264 YLCBBBNFFNVIAL-JTQLQIEISA-N 298.774 1.404 50 50 CDGA O=C(CCl)N1C[C@]23CCCC[C@]2(C1)CS(=O)(=O)C3 1875367607 VKKDVKACFZUYDJ-RYUDHWBXSA-N 291.800 1.043 50 50 CDGA O=C(CCl)NCC1=CS(=O)(=O)c2ccccc21 1875378148 WKIDXZUVHVZJEG-UHFFFAOYSA-N 271.725 1.170 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O 1875375395 BBSROSRWUDARSK-HRDYMLBCSA-N 299.758 1.494 50 50 CDGA N#Cc1cc2c(nc1O)CC[C@H](Br)C2=O 2075030 VOIOOSTYKDNWQI-ZETCQYMHSA-N 267.082 1.551 50 50 CDGA in-vitro NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 8683007 JVJZNULYJHOVPX-UHFFFAOYSA-N 253.371 1.067 50 50 CDGA C/C(=N\NC(=O)Cc1cccn1C)c1cccnc1 12362394 YKPLJJSXRDGBPD-LFIBNONCSA-N 256.309 1.503 50 50 CDGA O=C(CCl)N[C@H](Cn1cncn1)c1ccccc1 1875363681 RPAHDXRGENGNSQ-LLVKDONJSA-N 264.716 1.374 50 50 CDGA O=C(NC1CCCCC1)c1cc(B(O)O)ccc1Cl 169745049 OWOXUFCZVBAXMX-UHFFFAOYSA-N 281.548 1.082 50 50 CDGA in-vitro Cc1cc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C#N)=C(N)O2 18323485 SFAHAQRKBPVZJH-NSHDSACASA-N 285.328 1.963 50 50 CDGA CCCCOc1ccc(B(O)O)c(Cl)c1Cl 169964741 JXEAGLCIPVWOBY-UHFFFAOYSA-N 262.929 1.852 50 50 CDGA C[C@H](Sc1nc2ccccc2s1)C(=O)NN 6182826 VOGBLLDTRYGTIG-LURJTMIESA-N 253.352 1.767 50 50 CDGA NNC(=O)c1ccc(CSc2ncccn2)cc1 110606302 NXUFLXMBJVXILL-UHFFFAOYSA-N 260.322 1.372 50 50 CDGA C[C@@H](Cl)C(=O)N1CC[C@]2(CCCN(C)C2=O)C1 1875368003 IFKLFZFCGANKDZ-BXKDBHETSA-N 258.749 1.085 50 50 CDGA Cn1c(=O)oc2ccc(NC(=O)/C(C#N)=C\C3CC3)cc21 585079720 NBRALIJSVSORBC-POHAHGRESA-N 283.287 1.930 50 50 CDGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1O 227659 VYXBDHYGMAUSCC-LZYBPNLTSA-N 271.276 1.560 50 50 CDGA Cc1c(C(N)=C(C#N)C#N)c(=N)oc2ccccc12 13281264 WPIBDXDIVDEGJQ-UHFFFAOYSA-N 250.261 1.938 50 50 CDGA Cc1cc(C(=O)NN)c2cc(Br)ccc2n1 66777 LEBFGWOGYMQWIX-UHFFFAOYSA-N 280.125 1.909 50 50 CDGA CO[C@@H]1COc2ccccc2[C@H]1NC(=O)[C@@H](C)Cl 1875380721 XMGVRDMDTKJSFR-GGZOMVNGSA-N 269.728 1.879 50 50 CDGA COc1ccccc1C(=O)Nc1ccc(C(=O)NN)cc1 1776111105 RMECGMHVGKXYKD-UHFFFAOYSA-N 285.303 1.551 50 50 CDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccncc2)c1 4335675 IKYRZAKVTWAMDC-LICLKQGHSA-N 298.302 1.179 50 50 CDGA O=C(Nc1ccccc1F)c1ccc(B(O)O)cc1Cl 169744424 IAQODMHKBQEFHK-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA NC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 6557651 KHLQGYLFTKGVEN-JXAWBTAJSA-N 294.314 1.606 50 50 CDGA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)[C@H](C)Cl)C1 1875380533 RRMWQLVJJMLKMJ-SFGNSQDASA-N 298.774 1.598 50 50 CDGA C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC[C@]4(C)C[C@@H]1[C@]32OO4 100078964 DJGUTYJDEZGRGH-SSJFMPOTSA-N 284.352 1.839 50 50 CDGA in-vitro Cc1cccc(NC(=O)C(=O)N/N=C/c2ccco2)c1 4282149 QVXKMWBXBJPYIK-OQLLNIDSSA-N 271.276 1.677 50 50 CDGA Cc1ccc(NC(=O)NNC(=O)C(C)(C)O)cc1C 2857263 LITUCAVJEJZFBY-UHFFFAOYSA-N 265.313 1.227 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1 100575050 JRHWQKNPUJYUIA-DGGAMASNSA-N 272.308 1.039 50 50 CDGA COc1ccc(P(=O)(CO)c2ccc(OC)cc2)cc1 100365001 UAJBARZQKXIRGD-UHFFFAOYSA-N 292.271 1.968 50 50 CDGA NNC(=O)CSc1ncc(C(F)(F)F)cc1Cl 1388464 DCYVKTXECGLCER-UHFFFAOYSA-N 285.678 1.836 50 50 CDGA CC[C@H]1CN(C(=O)CCl)CCN1CC(F)F 1350354473 NUBSEQKKALUQIM-QMMMGPOBSA-N 254.708 1.413 50 50 CDGA CC(=O)C[C@@H]1C[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 254556769 NSZMLCNSHZITQR-KQWRFTCOSA-N 260.289 1.349 50 50 CDGA C[C@H](Cl)C(=O)NC1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@@H]12 1875364789 UGCCHFWDQCDJGE-JHECSXRSSA-N 251.757 1.876 50 50 CDGA C/C(=N/NC(=O)c1ccc(O)cc1O)c1ccco1 95670 QSPDOBDTCRIYSQ-ZSOIEALJSA-N 260.249 1.845 50 50 CDGA CO[C@@H]1COc2ccccc2[C@H]1NC(=O)CCl 1875369021 MXDSRZNQUFSDEL-ZYHUDNBSSA-N 255.701 1.490 50 50 CDGA NNC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 2571596 PVGIRPPTPCFWKJ-NSHDSACASA-N 267.760 1.542 50 50 CDGA C[C@H](CN1CCCCC1)NNC(=O)c1ccncc1 71772880 QVTJOZWJNPSWIG-GFCCVEGCSA-N 262.357 1.190 50 50 CDGA C[C@H](Cl)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 1875363579 KCOPLIMKZJACBU-WPRPVWTQSA-N 266.728 1.856 50 50 CDGA OB(O)c1cc(CN2CCCc3ccccc32)ccc1F 203194347 IBGVVPMWQGPQCK-UHFFFAOYSA-N 285.127 1.458 50 50 CDGA O=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCC2 9275714 QJTMTYSRGMXVMZ-OQLLNIDSSA-N 254.293 1.662 50 50 CDGA O=C1O[C@@](C(=O)F)(C(F)(F)F)O[C@@]1(F)C(F)(F)F 100040881 NVLMRLQANVCTOG-QWWZWVQMSA-N 288.046 1.543 50 50 CDGA Cc1cc(C)c(OCc2ccccc2)c(B(O)O)c1 238854570 OKJIARDHXVLZRP-UHFFFAOYSA-N 256.110 1.562 50 50 CDGA Cc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)o1 197777 JTSLBIOVYPEZJE-BRSWLGOBSA-N 286.287 1.878 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)c1cc(O)cc(O)c1 288650 BXGNDSRWKBJNIV-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA O=C(Nc1cccc(Cl)c1)c1cc(F)cc(B(O)O)c1 169744311 OZPDKJTXHADICB-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 2565374 ZOLIBOUPHQLGAH-MHWRWJLKSA-N 285.303 1.931 50 50 CDGA CCCCCC(=O)NNC(=O)Cc1ccc(OC)cc1 2729518 FSGSXHCQIKGSBF-UHFFFAOYSA-N 278.352 1.965 50 50 CDGA COC(=O)N/N=C\c1c(C)[nH]n(-c2ccccc2)c1=O 252523280 CGKURQOHSNPBEC-ZSOIEALJSA-N 274.280 1.164 50 50 CDGA CC(C)CN(C(=O)CCl)[C@H](C)CO[C@H]1CCOC1 1875382499 DISURMDZFQEMRY-NEPJUHHUSA-N 277.792 1.904 50 50 CDGA Cc1csc(CO[C@H]2CCN(C(=O)CCl)C2)n1 1875370684 ZAONEYQHIUCNLC-VIFPVBQESA-N 274.773 1.808 50 50 CDGA Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CCl)cn1 1875367925 ZYBDGZQWYDOTSZ-WDEREUQCSA-N 255.749 1.486 50 50 CDGA O=C(N/N=C/c1ccco1)c1ccc2[nH]cnc2c1 13635467 KJXUEPQGCHYEIG-FRKPEAEDSA-N 254.249 1.920 50 50 CDGA C[C@H](Cl)C(=O)NCCc1cnc2c(Cl)cnn2c1 1875375560 DNXLBGLPXDJBPC-ZETCQYMHSA-N 287.150 1.669 50 50 CDGA CCN(CC(=O)NCc1cccs1)C(=O)[C@@H](C)Cl 1875363801 AKKSJAVRNHPTSX-SECBINFHSA-N 288.800 1.840 50 50 CDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)c1 2870254 JKCAMEFSTRZBEU-CXUHLZMHSA-N 285.303 1.985 50 50 CDGA C[C@H](Oc1ccccc1Br)C(=O)NN 276168 UXLYTCHXUSOFKE-LURJTMIESA-N 259.103 1.206 50 50 CDGA C[C@@H](Cl)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1875377345 CILCJWKPGYAAEZ-SECBINFHSA-N 264.712 1.775 50 50 CDGA COc1cc(OC)cc(C(C)(C)OC(=O)NN)c1 133464 RDYVDEBOFNOSEU-UHFFFAOYSA-N 254.286 1.539 50 50 CDGA O=C(CSc1ncccn1)N/N=C/c1ccccc1 233655 RSYSDRWEGQGEEA-CXUHLZMHSA-N 272.333 1.719 50 50 CDGA NNC(=O)CSCc1ccc(Br)cc1 6829087 UWHWAALVWHRJSY-UHFFFAOYSA-N 275.171 1.672 50 50 CDGA Cc1ccc(NC(=O)C(=O)NN=C2CCN(C)CC2)cc1 55433570 URITZXWPKPKTAK-UHFFFAOYSA-N 288.351 1.131 50 50 CDGA CS(=O)(=O)Nc1cccc(CBr)c1 137103722 BAKNPKAJBUZOCT-UHFFFAOYSA-N 264.144 1.953 50 50 CDGA O=C(CCl)N[C@@H](CCO)c1ccc2c(c1)OCO2 1875379459 QQTXLWWTISLYPK-VIFPVBQESA-N 271.700 1.194 50 50 CDGA NC(=O)N/N=C1\[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 257346624 WLDWXNQDVDIUJY-PXKBQANLSA-N 296.168 1.162 50 50 CDGA Cc1ccc(NCc2ccc(F)c(B(O)O)c2)cc1 197861813 CEVNDBLSQXIRNX-UHFFFAOYSA-N 259.089 1.426 50 50 CDGA OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F 169746821 WLYPBMBWKYALCG-UHFFFAOYSA-N 257.926 1.404 50 50 CDGA Cc1cc(C)n(-c2oc(-c3ccccc3)nc2C(=O)NN)n1 2050024950 KHTPDQQDRCPIBW-UHFFFAOYSA-N 297.318 1.748 50 50 CDGA COc1ccc(COc2cc(Cl)ccc2B(O)O)cc1 606241621 IPLLLSWUSGOSLQ-UHFFFAOYSA-N 292.527 1.607 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1875375580 FCSZTHICRCBCDE-MWLCHTKSSA-N 279.789 1.041 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccnc(N2CCC[C@@H](O)C2)c1 1875377616 IWAQQQNTWILARV-CMPLNLGQSA-N 297.786 1.286 50 50 CDGA O=C1O[C@@H]2[C@H](I)[C@H]3C[C@@H]1[C@H]2C3 100494811 HDHTTWLQAIUNEA-GKHCUFPYSA-N 264.062 1.371 50 50 CDGA in-vitro Cc1ccccc1/C=N/NC(=O)Cn1nnc2ccccc21 434095 POJFLYNCTBZIGG-LICLKQGHSA-N 293.330 1.890 50 50 CDGA COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1O 5052083 DJTACERQBDYDTP-ZDUSSCGKSA-N 298.302 1.651 50 50 CDGA biogenic,in-vitro O=C(CI)N1CCCCC1 71772556 RUKSJTGZCRMMCJ-UHFFFAOYSA-N 253.083 1.434 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 1875363602 LOWSSQIIIADCMD-PWSUYJOCSA-N 278.743 1.763 50 50 CDGA Cc1cc(OCc2ccc(Cl)cc2)ccc1B(O)O 216046763 VATZTGIRZGYRJL-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA COc1ccc(OC)c(/C=N/NC(=O)c2ccncc2)c1 61561 JUWHWNWHOAFPMN-LICLKQGHSA-N 285.303 1.863 50 50 CDGA Cc1cccc(NC(=O)c2cccc(B(O)O)c2F)c1C 169744666 UUNGXPIRIMARAZ-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA COc1ccc2c(c1)[C@@](O)(CNC(=O)CCl)CCC2 1875375115 RLCQUJBRTHXDCI-AWEZNQCLSA-N 283.755 1.574 50 50 CDGA C[C@H](NC(=O)CCl)c1noc(C(F)(F)F)n1 1875375322 ZMHKWBLURLSLEF-VKHMYHEASA-N 257.599 1.504 50 50 CDGA O=C(N/N=C\c1ccc(O)cc1O)c1cccnc1 17062589 YKUFPSNDHXRMFP-NVNXTCNLSA-N 257.249 1.257 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1 169744467 LCCJHCMTWQKYGN-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA CC(C)COc1cc(B(O)O)cc(Cl)c1OC(C)C 169964650 PAHLCWMXKLRQCP-UHFFFAOYSA-N 286.564 1.842 50 50 CDGA CO[C@@H]1C[C@H]2CN(C(=O)CCl)Cc3cccnc3N2C1 1875374799 FKHUXMYLDCSJAY-NWDGAFQWSA-N 295.770 1.256 50 50 CDGA OB(O)c1cccc(COc2cccc(Cl)c2)c1 169926336 MNHIXOHXTULBIZ-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro COc1ccc(OC)c(/C=N/NC(=O)c2cc(C)n[nH]2)c1 229766 CQOMCEJCHKKHPA-OVCLIPMQSA-N 288.307 1.499 50 50 CDGA CCOc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)c(O)c1 6493500 XOMIMEMMMKVXGE-OVCLIPMQSA-N 288.307 1.586 50 50 CDGA Cc1cc(C(N)=O)c(NC(=O)[C@H](F)Cl)s1 2325901705 UTVLSKFOVISZED-YFKPBYRVSA-N 250.682 1.628 50 50 CDGA COc1cccc(C(=O)NNC(=O)c2ccccc2)c1 290278 QTNSAFOKEVLPEO-UHFFFAOYSA-N 270.288 1.770 50 50 CDGA O=C(CCl)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 1875375106 RDSWOQDBCBMWSF-WCQYABFASA-N 271.719 1.552 50 50 CDGA C[C@@H](Cl)C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 1875377821 OPNODQLFYGRTSP-NXEZZACHSA-N 285.727 1.707 50 50 CDGA O=C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 201406399 ZNVHTFSZTIFHDA-UHFFFAOYSA-N 264.237 1.759 50 50 CDGA O=C(NNC(=O)c1coc(C2CC2)n1)c1ccccc1 763233436 MGFKEVNUOYOHGU-UHFFFAOYSA-N 271.276 1.627 50 50 CDGA NC(=O)N/N=C1\c2ccccc2-c2c(C(N)=O)cccc21 12436504 UICDAVFGTSJZOJ-QGOAFFKASA-N 280.287 1.187 50 50 CDGA C[C@@H](O)CC(=O)NNC(=S)N[C@H](C)c1ccccc1 2853056 FQQJDKFLCAMNTP-NXEZZACHSA-N 281.381 1.014 50 50 CDGA O=C(Nc1ccccc1Cl)c1ccc(F)c(B(O)O)c1 169744257 XLAINFWLAVXHRA-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA CO[C@H]1COc2ccccc2[C@@H]1NC(=O)CCl 1875369017 MXDSRZNQUFSDEL-JQWIXIFHSA-N 255.701 1.490 50 50 CDGA O=C(N/N=C/c1coc2ccccc2c1=O)c1cccnc1 75032 DAVIKTBRCQWOGT-GIJQJNRQSA-N 293.282 1.952 50 50 CDGA in-vitro O=[P@]1(N(CCCl)CCCl)NCCCO1 155694 CMSMOCZEIVJLDB-CQSZACIVSA-N 261.089 1.884 50 50 CDGA biogenic,fda O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(F)c1 5905605 PUVRJGKJSYYEAS-RQZCQDPDSA-N 297.293 1.721 50 50 CDGA O=C(NNC(=O)[C@H]1CCCS1)c1coc(C2CCC2)n1 819669290 FYODNUBPJDOMGW-SNVBAGLBSA-N 295.364 1.599 50 50 CDGA C[C@H](Cl)C(=O)N1CC[C@@H](NC(=O)CC(F)(F)F)C1 1875378271 YMMMMFZVYNVUTC-NKWVEPMBSA-N 286.681 1.283 50 50 CDGA O=C(CCl)NC[C@@H](c1nccs1)N1CCCC1 1875378380 BIFRTPCEPONCQY-VIFPVBQESA-N 273.789 1.635 50 50 CDGA C[C@H](Cl)C(=O)NCc1cc2c(nc1O)CCC2 1875364713 RJAWEVUHCKTYNT-ZETCQYMHSA-N 254.717 1.519 50 50 CDGA Cc1ccccc1C(=O)Nc1cccc(C(=O)NN)c1 950733952 SVXIWRWXJJAECG-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccccc1O 9109801 LWDGRIUOFRARSZ-FBWGLTFQSA-N 274.280 1.195 50 50 CDGA O=C(CCl)NC[C@H](c1nccs1)N1CCCC1 1875378379 BIFRTPCEPONCQY-SECBINFHSA-N 273.789 1.635 50 50 CDGA Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](C)Cl)CC2)no1 1875364005 HHQRVDGKQWKOFN-SECBINFHSA-N 299.758 1.331 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccsc1 12360698 WPNNGKZXVONXQN-MRVPVSSYSA-N 272.289 1.050 50 50 CDGA C[C@H]1Cc2cc(CCNC(=O)CCl)ccc2O1 1875367262 JMQUTWPLUSKLHO-VIFPVBQESA-N 253.729 1.908 50 50 CDGA C[C@@H]1CN(C(=O)c2ccoc2)CCN1C(=O)[C@@H](F)Cl 2325901374 BRBCQVXBSHPYSQ-PSASIEDQSA-N 288.706 1.487 50 50 CDGA C[C@H](Cl)C(=O)N(C)CCn1c(=O)oc2ccccc21 1875364930 YHKOGRBOYKONMN-VIFPVBQESA-N 282.727 1.680 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccncc1 228795 NEXJNYOXJMGIKM-GIJQJNRQSA-N 279.303 1.582 50 50 CDGA O=C(CSc1ncccn1)NN=C1CCCC1 440191 WKJUGSAKXBEZTL-UHFFFAOYSA-N 250.327 1.615 50 50 CDGA CC(C)CNC(=O)CC(=O)N/N=C/c1cccc(Cl)c1 2913150 IRHBCOMDYSVVEW-RQZCQDPDSA-N 295.770 1.952 50 50 CDGA CC(C)c1nc2n(n1)C[C@H](NC(=O)CCl)CC2 1875363901 DBHBIBFQASJNNA-MRVPVSSYSA-N 256.737 1.071 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cc(C#N)cc(S(C)(=O)=O)c1 1875369722 CPPJXRSVMPGRBA-SSDOTTSWSA-N 286.740 1.528 50 50 CDGA O=C(CCl)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1875369898 PCUUZMNNQFLQEC-SSDOTTSWSA-N 286.681 1.142 50 50 CDGA O=C(NC[C@@H](O)CCl)c1ccnc(NC2CCC2)c1 950757406 ZMGZWHKONLEBFK-NSHDSACASA-N 283.759 1.376 50 50 CDGA O=C(N/N=C/c1ccc(Cl)cc1)c1cnccn1 228542 OJTWGUZBRJBKAY-FRKPEAEDSA-N 260.684 1.894 50 50 CDGA C[C@@H]1[C@H](O)O[C@@H]2OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 390835871 DJGUTYJDEZGRGH-JUTRXMEHSA-N 284.352 1.839 50 50 CDGA biogenic,in-vitro Cn1cccc1CC(=O)N/N=C/c1ccc(F)cc1 73501 FLLGMNFXHJEGDR-MHWRWJLKSA-N 259.284 1.857 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)COc1ccccc1 146455 TXZLFQXHOQHIAP-UHFFFAOYSA-N 284.315 1.835 50 50 CDGA O=C(O)CNC(=O)[C@@H](Br)Cc1ccccc1 2163704 FESBQYCWHVWWCV-VIFPVBQESA-N 286.125 1.193 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(C)cc1 100608212 OZPHBTIWERMFLG-WFSQQTBHSA-N 286.335 1.347 50 50 CDGA C/C(C#N)=C\CN1CCN(C(=O)c2ccco2)CC1 1775984992 DSXSWLRQEYUKOK-UUILKARUSA-N 259.309 1.507 50 50 CDGA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CB(O)O)C2 208352791 PPJNGJGUFCAZBZ-QWRGUYRKSA-N 269.150 1.637 50 50 CDGA CN1CCN(CC(=O)N/N=C\c2ccccc2Cl)CC1 32666321 BHDQJSPMYRUDIH-YBEGLDIGSA-N 294.786 1.038 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 1875367154 SCDIODZOPPRASC-HOTUBEGUSA-N 274.748 1.351 50 50 CDGA O=C(CCl)N1C[C@@]23CCCC[C@@]2(C1)CS(=O)(=O)C3 1875367609 VKKDVKACFZUYDJ-VXGBXAGGSA-N 291.800 1.043 50 50 CDGA COC(=O)c1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@H]12 216290177 FMXJBHKQHZUJOY-MNUQUWEESA-N 284.267 1.540 50 50 CDGA C/C(=N\NC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1 1875268714 RYKHNFWCMDRGNG-AXLKIAQESA-N 279.727 1.459 50 50 CDGA Cc1nc(N)sc1C(=O)N/N=C/c1cccc(O)c1 118976 MNPAATWZRUFUJM-MKMNVTDBSA-N 276.321 1.503 50 50 CDGA Cc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1 2890179 DETLAMRUGRFMJB-UHFFFAOYSA-N 270.292 1.857 50 50 CDGA CN(C)/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCO2 96032216 QFAQORDCDBJRON-VQHVLOKHSA-N 259.265 1.323 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1875363985 GSKCFOPKIIGHLX-SSDOTTSWSA-N 273.741 1.582 50 50 CDGA OB(O)c1cc(C(F)(F)F)cnc1OCc1ccccc1 169746262 OYAUWZJANZRGQV-UHFFFAOYSA-N 297.041 1.359 50 50 CDGA in-vitro CN(C)c1ccc(/C=C(/C#N)C(N)=O)cc1Br 16186546 YZJPFPYIEUYCKC-UITAMQMPSA-N 294.152 1.907 50 50 CDGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccncc1 334744 LESJQGREIFQTQL-MHWRWJLKSA-N 284.275 1.683 50 50 CDGA COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C=C1C=O 757175942 OABUGQDTCKJIOL-JTQLQIEISA-N 269.297 1.499 50 50 CDGA NNC(=O)CSCc1ccccc1Br 6528705 ZSMOFBHVXKKNBB-UHFFFAOYSA-N 275.171 1.672 50 50 CDGA COC(=O)N/N=C/c1cc(Br)ccc1O 491883 QMPIKPQSTFEMHD-VZUCSPMQSA-N 273.086 1.845 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1nc(-c2ccccc2)nn1C 1875377741 MKLAMMFLBANEOG-SNVBAGLBSA-N 292.770 1.768 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)[C@H]1n1cccn1 1875380769 ZFGPVKXHSOWMBC-LMLFDSFASA-N 271.748 1.345 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 28272 ADWSDEUNFBPVQU-UHFFFAOYSA-N 280.305 1.211 50 50 CDGA C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NN 2568664 RKNFXQJEWVQEOS-RXMQYKEDSA-N 293.548 1.860 50 50 CDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1 100575047 JRHWQKNPUJYUIA-KMHUVPDISA-N 272.308 1.039 50 50 CDGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2(C#N)C#N 128322 GJZDFWFEGWLQRT-UHFFFAOYSA-N 268.276 1.387 50 50 CDGA C[C@H](NC(=O)CCl)[C@@H]1CCCN(C2CCC2)C1 1875377841 OZQWNUVGDHVQON-WDEREUQCSA-N 258.793 1.994 50 50 CDGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(=O)[nH]n1 5314265 LHYQARMUGVFEHF-ZMZMSIHFSA-N 268.276 1.199 50 50 CDGA O=C(CNC(=O)c1ccco1)N/N=C/C=C/c1ccccc1 2894281 FMLFALUQTPJFRX-HGBXGJOCSA-N 297.314 1.825 50 50 CDGA C[C@H](Cl)C(=O)N1CCOC2(CCOCC2)CC1 1875377624 JACRIJAXIUOCQA-JTQLQIEISA-N 261.749 1.412 50 50 CDGA CCCCCCCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744489 OEMVSWBZUSMIRE-UHFFFAOYSA-N 297.591 1.720 50 50 CDGA OB(O)c1ccnc(OC2CCCCC2)c1Cl 169964721 KRARJIQQFDZYGL-UHFFFAOYSA-N 255.510 1.126 50 50 CDGA COC(=O)N(C)NS(=O)(=O)c1ccc(C)c(Cl)c1 241316909 LVXQDMDBQSOGNW-UHFFFAOYSA-N 292.744 1.540 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 1875364569 WIDTXDZKMVFDIA-OIBJUYFYSA-N 289.162 2.000 50 50 CDGA CCn1cnc2c1CCN(C(=O)CCl)C21CCOCC1 1875377438 DQBOZMLFOQQAEF-UHFFFAOYSA-N 297.786 1.532 50 50 CDGA CC(C)COc1ccc(B(O)O)c(Cl)c1Cl 169964754 DPYMREBBALMFOP-UHFFFAOYSA-N 262.929 1.708 50 50 CDGA COc1cccc(C(=O)NNC(=O)Cc2cccs2)c1 290062 RIWQGUABBJJOSS-UHFFFAOYSA-N 290.344 1.760 50 50 CDGA N#C[C@@H](Cl)CNS(=O)(=O)c1ccc(Cl)cc1 982311 UPRVAJNQWSDYRS-MRVPVSSYSA-N 279.148 1.749 50 50 CDGA COc1ccccc1NC(=O)C/C(C)=N/NC(N)=O 5494601 WGDBLXHGSKADMV-OVCLIPMQSA-N 264.285 1.068 50 50 CDGA COc1ccc(P(=O)(O)c2ccc(OC)cc2)cc1 156030 BFPBWJGVRNQWEK-UHFFFAOYSA-N 278.244 1.925 50 50 CDGA CC(C)(C)OC(=O)N1CCN(C(=O)CCl)CC1 8700972 PUGUQINMNYINPK-UHFFFAOYSA-N 262.737 1.305 50 50 CDGA COc1cc(/C(C)=N/NC(=O)c2ccncc2)ccc1O 55389402 WNCIVJGOERSJLE-LICLKQGHSA-N 285.303 1.950 50 50 CDGA O=C(CCl)NC1CCN(c2nc3ccccc3[nH]2)CC1 1875364322 LJTFYRCYHDZMAE-UHFFFAOYSA-N 292.770 1.887 50 50 CDGA COc1ccc(CCNC(=O)[C@@H](F)Cl)cc1OC 1875362181 UOWIEOYMTVGFOU-LLVKDONJSA-N 275.707 1.897 50 50 CDGA Cc1cc(C2(NC(=O)[C@@H](C)Cl)CCOCC2)on1 1875366911 WVHRQZADYVMLLB-SECBINFHSA-N 272.732 1.732 50 50 CDGA O=C(Cc1ccccc1)N/N=C/c1ccc(O)cc1O 245373 AJBANBQLDBAWDO-MHWRWJLKSA-N 270.288 1.791 50 50 CDGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)o1 5125964 LPBLQFLPCJJWIK-LLVKDONJSA-N 256.265 1.838 50 50 CDGA C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccnc1 100570536 AEBSHJMWJFCOTF-LICLKQGHSA-N 276.340 1.492 50 50 CDGA Cc1nc([C@H](NC(=O)CCl)c2ccccc2)no1 1875367980 FWASQPFYJVBMFW-LLVKDONJSA-N 265.700 1.822 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(CC2CCCC2)C(=O)C1 1875377642 JOPKUTHHSVDLDT-SNVBAGLBSA-N 272.776 1.475 50 50 CDGA OB(O)c1c(C(F)(F)F)cccc1C(F)(F)F 169747042 WAMPGNNEOZGBHR-UHFFFAOYSA-N 257.926 1.404 50 50 CDGA in-vitro OB(O)c1ccc(OCc2ccccc2Cl)cc1 169922463 KJAUPLTZVSARIS-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CC1=CCCC(C)(C)[C@H]1C(=O)C[C@@H](C)NNC(N)=O 2981276 HODDEJOQCDTFPP-ZYHUDNBSSA-N 267.373 1.890 50 50 CDGA CCOc1cc(/C=N\NC(=O)c2cnccn2)ccc1O 32576835 JPUBLNLFPWMYQG-IUXPMGMMSA-N 286.291 1.345 50 50 CDGA C/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc(Cl)cc1 44018925 DOJIYVYQZAHJIL-UDPFGDFPSA-N 293.754 1.706 50 50 CDGA CC[C@H](Sc1ccccc1)C(=O)NN(C)C(N)=O 181084193 WCRWABYSBBTXLV-JTQLQIEISA-N 267.354 1.599 50 50 CDGA C[C@@H](Cl)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 1875363551 IURSUPKJYJLOKG-RQJHMYQMSA-N 286.681 1.235 50 50 CDGA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@@H](C)Cl)n2)c1 1875376281 RBIHUWJRRJYQQQ-RKDXNWHRSA-N 293.758 1.980 50 50 CDGA COC(=O)CNC1=C(C#N)C(=O)C[C@H](c2ccc(C)o2)C1 100783091 VDFQWNNNRDUGJK-SNVBAGLBSA-N 288.303 1.575 50 50 CDGA CCOC(=O)[C@H](Br)C(=O)c1ccccn1 136221574 NJQLMEKGVBIVIL-MRVPVSSYSA-N 272.098 1.591 50 50 CDGA O=C(NNC(=O)c1ccco1)c1coc(C2CC2)n1 1875263159 RQXVQYZUJRKUAA-UHFFFAOYSA-N 261.237 1.220 50 50 CDGA O=C(N/N=C/COc1ccccc1)c1ccncc1 43761376 KGPSRXLIYLSACI-MHWRWJLKSA-N 255.277 1.876 50 50 CDGA COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)[C@H](C)Cl)C2 1875377139 AESJYHMDBLQWIC-SRVKXCTJSA-N 288.819 1.714 50 50 CDGA O=C1C=C(NNC(=O)c2ccncc2)C[C@H](c2ccco2)C1 441184 ZISIMRXAQIECIF-LBPRGKRZSA-N 297.314 1.940 50 50 CDGA NNC(=O)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 1958123 WNRVWTOFLXDHOD-UHFFFAOYSA-N 296.739 1.392 50 50 CDGA CC1=C/C(=N/NC(=O)c2ccncc2)C=C/C1=N/O 102310689 YJWUPPQUHSDNCT-GLDUUKHASA-N 256.265 1.514 50 50 CDGA N#Cc1ccc(OC2CN(C(=O)CCl)C2)cc1 1875378115 VUGOUQWTTBUZHF-UHFFFAOYSA-N 250.685 1.387 50 50 CDGA N#C/C(=C\c1cccc(O)c1)C(=O)NC[C@H]1CCCO1 247124 WVPKVKNZVBVMLR-WEKMIXOTSA-N 272.304 1.594 50 50 CDGA NNC(=O)COc1ccc(OCc2ccccc2)cc1 276158 POMVMGQSRFORFW-UHFFFAOYSA-N 272.304 1.634 50 50 CDGA O=C1CC[C@H](NC(=O)OCc2ccccc2)C(=O)O1 100239744 YIXAMRRMFCPXNC-JTQLQIEISA-N 263.249 1.145 50 50 CDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1Cl 100609601 IUBIVBDRXJKMGM-XVBMGZJVSA-N 292.726 1.302 50 50 CDGA CCCCCC[C@H]1C[C@H](C(C)=NNC(N)=O)OC1=O 252677987 BZWDETNHJPQLHP-WDEREUQCSA-N 269.345 1.933 50 50 CDGA C[C@H](Cl)C(=O)Nc1ccc(C(=O)N(C)C)nc1 1875377745 MMIYKTXAJZTJLN-ZETCQYMHSA-N 255.705 1.349 50 50 CDGA C[C@@H](NC(=O)CCl)c1ccc(N2CCOCC2)cc1 1320466869 SSUCMLUQHABHCP-LLVKDONJSA-N 282.771 1.939 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2F)cc1C 169744711 KKQHFXIOUFDCHI-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1O 381396 NYKZETLYOIGBRK-CXUHLZMHSA-N 286.287 1.870 50 50 CDGA Cc1n[nH]c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 4567243 XOPHPVPLGMSODQ-GFCCVEGCSA-N 252.277 1.936 50 50 CDGA CCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21 100658375 PDLYGIIBYMXZMK-UHFFFAOYSA-N 287.319 1.853 50 50 CDGA CCCCN(CCCC)C(=O)c1cccc(B(O)O)c1 195999687 UEUNTIZOTIFCJK-UHFFFAOYSA-N 277.173 1.409 50 50 CDGA COc1ccc(OC)c2c1CN(C(=O)[C@H](C)Cl)C[C@H]2O 1875363585 KSRCNZMRVXYNLE-WCBMZHEXSA-N 299.754 1.707 50 50 CDGA Cc1noc(C2(C)CCN(C(=O)CCl)CC2)n1 1350356450 XVVHWTQNHWKXBW-UHFFFAOYSA-N 257.721 1.497 50 50 CDGA COc1ccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)cc1 5670328 FUDXKQVGEHJJNF-LGMDPLHJSA-N 299.286 1.309 50 50 CDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(O)c1 55760 PZRYVACNKOTMJZ-CXUHLZMHSA-N 286.335 1.815 50 50 CDGA O=C(CSc1ncccn1)N/N=C/c1cccs1 266985 PBJHSRBJHSBWAQ-VGOFMYFVSA-N 278.362 1.781 50 50 CDGA COc1ccccc1C(=O)NNC(=O)[C@@H]1CC=CCC1 273020 XREXAHHJLAPMPS-LLVKDONJSA-N 274.320 1.813 50 50 CDGA CO[C@H](C(=O)NNC(=O)c1cccs1)c1ccccc1 4833051 FNJPEBLFMMLOKI-LBPRGKRZSA-N 290.344 1.897 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1nnc2n1CCCCC2 1875364215 JWGXSFMRSBILAA-SECBINFHSA-N 270.764 1.291 50 50 CDGA Cc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1 2905534 IJZAWWJVJYWNFF-UHFFFAOYSA-N 296.373 1.680 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1ccc(O)cc1 272155 CHPPFONAHPWQLA-WUXMJOGZSA-N 262.294 1.316 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccccn1 36079829 NGOJHKFLDYAHNC-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA COc1ccc([C@H](NC(=O)CCl)[C@H](C)O)cc1 1875374780 DYFROJLANVLJCB-QPUJVOFHSA-N 257.717 1.472 50 50 CDGA C[C@@H](Cl)C(=O)NCc1nnc(C2CCC2)n1C 1875378081 VKZLDTCXKUVRCB-SSDOTTSWSA-N 256.737 1.326 50 50 CDGA COC(=O)c1cc(CNC(=O)CCl)ccc1OC 1319784959 OZFJUDNDZLXHKQ-UHFFFAOYSA-N 271.700 1.337 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 136728 OGTOITILZHXBDL-CXUHLZMHSA-N 255.277 1.854 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1ccccn1 227965 GPGBAQMQSBWBJG-MHWRWJLKSA-N 255.277 1.854 50 50 CDGA Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 9186660 UYBGWGPLPLKJHK-NTUHNPAUSA-N 273.252 1.390 50 50 CDGA COCc1n[nH]c2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2 551789 XMMIHGVPRPQJGQ-LLVKDONJSA-N 296.330 1.969 50 50 CDGA O=C(CCl)NCc1ccc(Cl)c(C(=O)O)c1 1726930 MQGBVNVKAFJSAD-UHFFFAOYSA-N 262.092 1.893 50 50 CDGA O=C(CCl)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1875377209 ATPVXXAABLTJCZ-NSHDSACASA-N 296.754 1.021 50 50 CDGA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@H](C)Cl 585115133 NWHSFQGTKQGXGW-HZGVNTEJSA-N 280.777 1.727 50 50 CDGA O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(O)cc1 261185 PXHKSYIKIYOYFX-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA COc1ccccc1N1CCN(C(=O)CCCl)CC1 1588985 YMHBKEVWWRFOIL-UHFFFAOYSA-N 282.771 1.973 50 50 CDGA C=CCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 2892331 CTCCFLPESPCPHU-OVCLIPMQSA-N 265.700 1.092 50 50 CDGA COc1ccc(N/C=C(\C#N)C(N)=S)cc1OC 101152361 KYCMLMDWTCSGEH-BQYQJAHWSA-N 263.322 1.809 50 50 CDGA C=CCc1cccc(/C=N/NC(=O)c2ccn[nH]2)c1O 22017115 IZBMBRFRSQSADI-CXUHLZMHSA-N 270.292 1.608 50 50 CDGA COc1ccc(/C=C\C=N/C(C#N)=C(\N)C#N)cc1 110982413 DYOZTESMEPQUOP-SSQNMTDTSA-N 252.277 1.997 50 50 CDGA C[C@@H](Cl)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 205370215 SXIZAWOJSBRZDS-OUAUKWLOSA-N 280.755 1.421 50 50 CDGA CCCN1CCC(=NNC(=O)c2ccc(O)cc2)CC1 5008631 LUIYUVJOPLUEFG-UHFFFAOYSA-N 275.352 1.984 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 1875380349 MGXPUZCPFPJOLM-WCBMZHEXSA-N 298.774 1.389 50 50 CDGA COc1cc(C)nc(N2CCSSCC2)n1 685939769 DWZVGFKZTLNEFD-UHFFFAOYSA-N 257.384 1.995 50 50 CDGA CC(C)(C)OC(=O)NNC(=O)c1ccc(F)cc1 17398476 PFFJUNZMMQACJW-UHFFFAOYSA-N 254.261 1.995 50 50 CDGA Cc1cccc(NC(=O)c2cc(F)cc(B(O)O)c2)c1C 169744398 KGDFUPHQQHNNLY-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA CCOC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 172030 OXVLHYLQPYDXCR-RIYZIHGNSA-N 282.296 1.792 50 50 CDGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccco1 2796086 KMMNUOJXJZBQME-VXGBXAGGSA-N 270.288 1.844 50 50 CDGA CC(=O)N[C@@H](C(=O)O)C(C)(C)SSC(C)=O 3127894 GSMAUKTVMNVPNQ-ZETCQYMHSA-N 265.356 1.282 50 50 CDGA CC1(C(=O)NNC(=O)Cc2ccc(F)cc2)CCOCC1 726768098 KZASDZLVYUIOOB-UHFFFAOYSA-N 294.326 1.332 50 50 CDGA CCCCOc1cc(B(O)O)c(Cl)cc1Cl 169934418 UNUSRHVSANUKKR-UHFFFAOYSA-N 262.929 1.852 50 50 CDGA in-vitro Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1O 5730754 DXIHCYOAGGZPFM-UHFFFAOYSA-N 295.298 1.787 50 50 CDGA O=C(NNC(=O)[C@H]1CC=CCC1)c1ccccc1O 273481 UWYTYVSPQBYBQP-JTQLQIEISA-N 260.293 1.510 50 50 CDGA O=C(N/N=C/c1ccccc1)c1nc2ccccc2[nH]c1=O 35653390 HNQWCFQBDGDJIG-LICLKQGHSA-N 292.298 1.687 50 50 CDGA C[C@H](Cl)C(=O)Nc1cc2c(cc1F)CCNC2=O 1875378107 VTDCUZCZGANJDY-LURJTMIESA-N 270.691 1.677 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1875367259 JKBPIOLBVRVMCS-JOYOIKCWSA-N 271.748 1.169 50 50 CDGA O=C(CCl)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1C[C@H]2CC[C@H]1C2 1875379326 PXUXEBXCMXFJKD-PDNLZKNQSA-N 284.787 1.425 50 50 CDGA Cc1c(C(=O)CCl)c(=O)n(-c2ccccc2)n1C 1689937 QGWUTAPXLRKROO-UHFFFAOYSA-N 264.712 1.906 50 50 CDGA O=C(NCc1ccccc1)C(=O)NN=C1CCCC1 4611350 WQKVFRVQPBBBSU-UHFFFAOYSA-N 259.309 1.349 50 50 CDGA CCOC(=O)/C(C#N)=C/N=c1[nH][nH]c2ccccc12 407986257 VRJCKTVRFLEWSL-CMDGGOBGSA-N 256.265 1.367 50 50 CDGA O[C@@H]1C[C@@H]2CCC[C@@H](I)[C@@H]2O1 43763205 SVGVWJUGYOXDOV-FKSUSPILSA-N 268.094 1.697 50 50 CDGA O=C(NNC(=O)c1ccc(F)cc1)c1ccncc1 286984 PYCUCRADEFUXQW-UHFFFAOYSA-N 259.240 1.296 50 50 CDGA NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 2576198 ZENFAFLFPWVDNO-UHFFFAOYSA-N 264.288 1.900 50 50 CDGA O=C(N/N=C/c1cccs1)C(=O)NC1CCCCC1 2892352 NYGAYCOHSCXHAI-NTEUORMPSA-N 279.365 1.647 50 50 CDGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccncc1 4697657 CMRYQUOVZQEUHI-LICLKQGHSA-N 283.287 1.964 50 50 CDGA O=C(NNC(=O)C1CC1)c1ccnc(C2CCCC2)n1 1875254867 XBAXPXJSSLSRHW-UHFFFAOYSA-N 274.324 1.305 50 50 CDGA COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)CCl)C2 1875376330 SQFZQDJCQNJYRE-GUBZILKMSA-N 274.748 1.208 50 50 CDGA CCCOc1c(Cl)cc(B(O)O)cc1OCC 169964745 UQYOICHYUSJPML-UHFFFAOYSA-N 258.510 1.207 50 50 CDGA N#C/C(=C\c1ccccn1)C(=O)NCc1ccccn1 253446475 KXBPVWHILDAAAF-FMIVXFBMSA-N 264.288 1.700 50 50 CDGA CCC[C@H](Oc1ccc(Br)cc1)C(=O)NN 260493 OCXWFKWBMAXHQR-JTQLQIEISA-N 287.157 1.987 50 50 CDGA N#CCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 3086244 NMIGNQFJOICLTJ-UHFFFAOYSA-N 286.213 1.772 50 50 CDGA O=C(CCC(=O)Nc1ccccc1)NNC(=S)S 6529855 UGEMOQKCRDZROA-UHFFFAOYSA-N 283.378 1.241 50 50 CDGA CN(C)c1nccc2c1CCN(C(=O)CCl)C2 1875368158 VLMXUHOEODANRW-UHFFFAOYSA-N 253.733 1.271 50 50 CDGA COc1cc2c(cc1OC)N(C(=O)CCl)CC2 1875364558 VKDCSZFVYAIHPK-UHFFFAOYSA-N 255.701 1.832 50 50 CDGA C[C@]1(Br)CS(=O)(=O)C[C@@H]1Br 1236558 NRTPKWCCOPMHSN-WHFBIAKZSA-N 291.992 1.332 50 50 CDGA CC(C)C(=O)NNC(=O)COc1ccc(Cl)cc1 2865015 XTZMYIFDZWUSFM-UHFFFAOYSA-N 270.716 1.522 50 50 CDGA O=[P@]1(N(CCCl)CCCl)N[C@H](OO)CCO1 43226442 VPAWVRUHMJVRHU-VGDKGRGNSA-N 293.087 1.700 50 50 CDGA investigational Cc1nsc(N2CCN(C(=O)[C@H](C)Cl)CC2)c1C#N 1875376112 MQRVLVMLOCIYLM-QMMMGPOBSA-N 298.799 1.599 50 50 CDGA C[C@H](Cl)C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 1875377822 OPNODQLFYGRTSP-UWVGGRQHSA-N 285.727 1.707 50 50 CDGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccco1 95941 JHZKWBRSHDLWIQ-ZSOIEALJSA-N 260.249 1.845 50 50 CDGA CCCOc1c(Br)cc(Cl)cc1B(O)O 169955153 LLGZZWJHRDEVHU-UHFFFAOYSA-N 293.353 1.571 50 50 CDGA COc1cccc(CNC(=O)CBr)c1 41711371 MVKIBUNXBLOJPG-UHFFFAOYSA-N 258.115 1.706 50 50 CDGA Cc1cc(C)nc(NC2CCN(C(=O)CCl)CC2)n1 1875387169 SAVXKRAOMBRMTM-UHFFFAOYSA-N 282.775 1.735 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1n[nH]c2c1CCC2 179283 BDCRYUDBGFDDDV-VIZOYTHASA-N 286.291 1.074 50 50 CDGA Cc1c(B(O)O)n(C(=O)OC(C)(C)C)c2ccccc12 228812478 CAXOMSKZQLWTCB-UHFFFAOYSA-N 275.113 1.413 50 50 CDGA C[C@H](Cl)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 1875363557 JJQPMKXHNHDYAD-JQWIXIFHSA-N 280.755 1.704 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@H]1c1nc(N(C)C)no1 1875377434 DLYRHIWFVKRRLI-SFYZADRCSA-N 272.736 1.426 50 50 CDGA C[C@]1(CNC(=O)C2CCNCC2)C[C@H]1Br 1328918404 KHTCQXONWQZKQE-MWLCHTKSSA-N 275.190 1.276 50 50 CDGA C/C(=N\NC(=O)CN1CCCC1=O)c1cc(C)oc1C 221982918 VIDGKVBRHSDTFK-XNTDXEJSSA-N 277.324 1.359 50 50 CDGA CC(C)(C)OC(=O)NNc1ccc(C(=O)O)cn1 2510808 DBNGJNCAXKNLLQ-UHFFFAOYSA-N 253.258 1.631 50 50 CDGA O=C(CCl)N1CC[C@H](n2cnc3ccccc3c2=O)C1 1875368222 ZMUJQUNWQOCCGA-JTQLQIEISA-N 291.738 1.409 50 50 CDGA O=C(NNC(=O)C1CCC1)c1coc(C2CCC2)n1 767915116 DJISQSXRMMPBFT-UHFFFAOYSA-N 263.297 1.503 50 50 CDGA O=C(O)c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 27812 KDBWMSXSMKMXKK-NGWPFTMJSA-N 298.298 1.569 50 50 CDGA Cc1ccc(CCC(=O)NNC(=O)c2ccco2)o1 294547 BAQTWGGYVZLCJB-UHFFFAOYSA-N 262.265 1.575 50 50 CDGA CNC(=O)Oc1ccccc1O[C@@H](CCl)OC 2005378 PITWUHDDNUVBPT-JTQLQIEISA-N 259.689 1.995 50 50 CDGA in-vitro O=C(NN=C1CCCC1)C(=O)NC1CCCCC1 4832398 CXHFBNNIABSXOP-UHFFFAOYSA-N 251.330 1.482 50 50 CDGA NS(=O)(=O)c1ccc(CBr)cc1F 259431638 MEDZIOXQDCBAHD-UHFFFAOYSA-N 268.107 1.368 50 50 CDGA O=C(CCl)N1C[C@]23CCCC[C@@]2(C1)CS(=O)(=O)C3 1875367608 VKKDVKACFZUYDJ-TXEJJXNPSA-N 291.800 1.043 50 50 CDGA C[C@@H](Oc1ccc(Br)cc1)C(=O)NN 260491 APNYQCKNAHEZCX-ZCFIWIBFSA-N 259.103 1.206 50 50 CDGA in-vitro C#CCCCCNC(=O)CI 29043585 YCRUVTMZPHEOAM-UHFFFAOYSA-N 265.094 1.341 50 50 CDGA O=C(N[C@H]1CCOC1=O)c1ccc(N=C=S)cc1 1566716 WWUPAVIAPDIGCZ-JTQLQIEISA-N 262.290 1.466 50 50 CDGA Cc1n[nH]c2c1[C@H](c1cccn1C)C(C#N)=C(N)O2 34324 VBGZVYQTKOPVIK-NSHDSACASA-N 255.281 1.275 50 50 CDGA C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1ccccc1 264927 FHLCXQHEPWQODJ-OQLLNIDSSA-N 272.308 1.507 50 50 CDGA O=CNNc1ccc(NC(=O)Cc2ccccc2)cc1 4831654 DNGXYTMXIIILKI-UHFFFAOYSA-N 269.304 1.941 50 50 CDGA N#CC1=C(N)N=C(N2CCCC2)NC12CCCCC2 101450637 RUVFHQVIULKYLJ-UHFFFAOYSA-N 259.357 1.438 50 50 CDGA CC1CCN(CCOc2ccc(B(O)O)cc2Cl)CC1 230545539 HYBNLMDDPZJGLR-UHFFFAOYSA-N 297.591 1.131 50 50 CDGA O=C(N=c1ccn([C@H]2CC2(F)F)[nH]1)[C@@H](F)Cl 2325898437 CDYVKDAKJRRIDC-UJURSFKZSA-N 253.611 1.358 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cc2c(cc1F)NC(=O)CO2 1875370322 KEYYBIJZGMDWSS-RXMQYKEDSA-N 272.663 1.722 50 50 CDGA O=C(CCl)NC[C@H]1C=C(OCc2ccccc2)NO1 1875376794 IWLMMTCAFKYJKO-LLVKDONJSA-N 282.727 1.303 50 50 CDGA COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)CCl)C2 1875376329 SQFZQDJCQNJYRE-AEJSXWLSSA-N 274.748 1.208 50 50 CDGA OB(O)c1cc(Br)cc(Br)c1F 169746402 IOOXXDZRFJBCLR-UHFFFAOYSA-N 297.714 1.031 50 50 CDGA in-vitro O=C(CNC(=O)c1ccccc1)N/N=C/Cc1ccccc1 4828719 BIJYOWYFQWWREC-XDHOZWIPSA-N 295.342 1.761 50 50 CDGA CCOC(=O)c1cn2c(n1)CC[C@@H](Br)C2 43277630 HHUGAKXDINFJJB-SSDOTTSWSA-N 273.130 1.770 50 50 CDGA CC(C)CNC(=O)C1(NC(=O)[C@H](C)Cl)CCCC1 1875364332 NXQLECPRSIUMQI-JTQLQIEISA-N 274.792 1.815 50 50 CDGA CS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCl)c1 1875378187 WUSUTWQQMPZITR-UHFFFAOYSA-N 296.175 1.599 50 50 CDGA NNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 397544 PHUWHPDMGJXKKV-UHFFFAOYSA-N 276.340 1.744 50 50 CDGA CCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 4982642 UMRNKORTAYWOKI-KAMYIIQDSA-N 286.331 1.993 50 50 CDGA O=C(N/N=C/c1ccc(O)c(OO)c1)c1ccncc1 407947258 UQDUFJLDZBPZAK-OVCLIPMQSA-N 273.248 1.403 50 50 CDGA O=C(CS(=O)(=O)NCCCCl)c1ccccc1 725375825 NYOKRTLQUWEWOK-UHFFFAOYSA-N 275.757 1.418 50 50 CDGA C[C@H](Cl)C(=O)NCC(=O)c1cccc2c1OCCO2 1875378141 WIKMSSXLOQDSTI-QMMMGPOBSA-N 283.711 1.384 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](C)c1nnc2n1CCCC2 1875377709 LPIBGJSGJHWLGY-JGVFFNPUSA-N 256.737 1.419 50 50 CDGA OB(O)c1cc(Cl)c(F)c(OC2CCCC2)c1 169955396 YQYXVSZOUNDBPW-UHFFFAOYSA-N 258.485 1.480 50 50 CDGA O=C(CCl)N1CCOC[C@H]1C[C@@H](O)c1cccs1 1116439190 MCPSXOBJZMOILZ-NXEZZACHSA-N 289.784 1.638 50 50 CDGA O=C(NNC(=O)[C@@H]1[C@H]2CC(F)(F)C[C@H]21)c1ccco1 2325789732 JMOICSYQCZPUQX-QMSLJYSESA-N 270.235 1.332 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2cccnc2)cc1C 4828577 VSBZTQOIWOQRSS-UHFFFAOYSA-N 269.304 1.773 50 50 CDGA C/C(=N\NC(=O)CNC(=O)c1ccccc1)c1ccccc1 4989662 SDKZGIFAQXCYIQ-CPNJWEJPSA-N 295.342 1.957 50 50 CDGA O=C(CCl)N1CC[C@](O)(Cc2ccc(F)cc2)C1 1875386878 BRTAIJHUSBLQTN-ZDUSSCGKSA-N 271.719 1.570 50 50 CDGA OB(O)c1cc(OCc2ccccc2)ccc1Cl 169934252 OABFVTYDVHFWDQ-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro Cc1ccc(F)c(NC(=O)c2cccc(B(O)O)c2F)c1 169744691 FWUANDVCQUMWPH-UHFFFAOYSA-N 291.062 1.205 50 50 CDGA O=C(CCCC[C@@H]1CCSS1)N1CC(O)C1 156191480 HAGJQJBQVUTSFN-SNVBAGLBSA-N 261.412 1.904 50 50 CDGA O=C1C[C@@H](Br)C(=O)C[C@@H]1Br 670418708 MGMVJOQHGGEIRG-ZXZARUISSA-N 269.920 1.445 50 50 CDGA Cc1nn(C)c(C(=O)N/N=C/c2ccccn2)c1Cl 355568 VMVFSGOVZCCLAB-VIZOYTHASA-N 277.715 1.541 50 50 CDGA Cc1nn(C)c(NNC(=O)CCCOC(C)C)c1C#N 1875344353 DBRYLDQAVWGEOP-UHFFFAOYSA-N 279.344 1.249 50 50 CDGA C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CCl 1875374861 HRBQAAGFBFGFNL-SECBINFHSA-N 279.727 1.140 50 50 CDGA C[C@H](Cl)C(=O)NCc1cnc(N2CCOCC2)s1 1875366481 NQVJDTCSZZRCEN-QMMMGPOBSA-N 289.788 1.223 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1875377202 ASSWVNRSMXEHSU-XCBNKYQSSA-N 257.692 1.873 50 50 CDGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(F)cc1 2897743 XOXVUIFGONAVSL-OVCLIPMQSA-N 291.307 1.976 50 50 CDGA CC1(C)C[C@@](CC(=O)NN)(c2ccccc2)CCO1 288897 ZYDUNRSAXFSBTC-OAHLLOKOSA-N 262.353 1.893 50 50 CDGA COC(=O)[C@H](CCBr)NC(=O)OC(C)(C)C 38190877 MBWPBNACYMMIKZ-ZETCQYMHSA-N 296.161 1.838 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](C)C(=O)N1CCc2ccccc21 1875363981 GPZREVQMRLBHBX-NXEZZACHSA-N 280.755 1.708 50 50 CDGA OB(O)c1ccc(-c2ccc(Br)cc2)cc1 169747747 HQAGDFJHKPSZHT-UHFFFAOYSA-N 276.926 1.796 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)cc1)c1ccc(O)cc1 54831 IRPCZMRRXGHGBY-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1 2859850 GPNXGRMVHQQRIK-UHFFFAOYSA-N 297.314 1.395 50 50 CDGA CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)[C@H](C)Cl 1875364285 KPKQYANYRFABDD-QWHCGFSZSA-N 298.818 1.433 50 50 CDGA CCCCN(CC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744126 ONVUDBNWTFJVJD-UHFFFAOYSA-N 283.564 1.282 50 50 CDGA CC(=O)O[Si](OC(C)=O)(OC(C)C)OC(C)C 169810108 ZCDBRVXGHZHBIX-UHFFFAOYSA-N 264.350 1.398 50 50 CDGA O=C(NNC(=O)c1ccccc1Cl)c1ccncc1 47671 ZPXJLWSVDITFES-UHFFFAOYSA-N 275.695 1.810 50 50 CDGA Cn1cccc1CC(=O)NNC(=O)Nc1ccccc1 1001893 NKRXJIHTXLPXTK-UHFFFAOYSA-N 272.308 1.421 50 50 CDGA OB(O)c1ccccc1-c1noc(-c2ccccc2F)n1 170002293 UAAJIMRNNHIZIZ-UHFFFAOYSA-N 284.055 1.223 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)CCCC(=O)O 14013110 DPZTUGYTPWVGPZ-UHFFFAOYSA-N 264.281 1.011 50 50 CDGA C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(B(O)O)c1 169744522 QFKSWJXYPSPSRQ-VIFPVBQESA-N 281.548 1.034 50 50 CDGA CC(=O)Nc1ccc(S(=O)(=O)OCCCl)cc1 1601734 YODDIQGDIAJNCF-UHFFFAOYSA-N 277.729 1.589 50 50 CDGA N#C/C(=C\c1ccc(N2CCOCC2)s1)C(N)=S 685944525 UGYVCHMXXLTFFF-VQHVLOKHSA-N 279.390 1.778 50 50 CDGA C[C@](NC(=O)CCl)(C(N)=O)c1cccc(Cl)c1 1336910752 ZWYIFCSOZLTFMU-LLVKDONJSA-N 275.135 1.396 50 50 CDGA C[C@]1(C(=O)Nc2ccc(N)nc2)C[C@@H]1Br 1616037901 CMWYDICIAGMYDD-XVKPBYJWSA-N 270.130 1.776 50 50 CDGA CCCCOc1cc(B(O)O)cc(Cl)c1OC 169955459 ABKGJOLGURRYLI-UHFFFAOYSA-N 258.510 1.207 50 50 CDGA O=C(NNC(=O)c1ccccc1Cl)c1cccnc1 123649 HHONVJMVQGGEOR-UHFFFAOYSA-N 275.695 1.810 50 50 CDGA C[C@H](Cl)C(=O)N1CCOC[C@H]1c1cccn1C 1875377473 FGOYINDEEOCOTN-ONGXEEELSA-N 256.733 1.552 50 50 CDGA N#CC(C(=O)c1c[nH]c2ccccc12)=C1NCCCN1 170610654 FEJKNUVUSJPOPC-UHFFFAOYSA-N 266.304 1.669 50 50 CDGA CC(=O)N/N=C1\NC(=O)/C(=C\c2ccccc2)S1 5495312 VWOGQCDGLMSDRM-JXMROGBWSA-N 261.306 1.298 50 50 CDGA O=C(CCl)N[C@H]1COc2c(F)cc(F)cc2C1 1120852933 XZVBTRYLUQMEGB-MRVPVSSYSA-N 261.655 1.623 50 50 CDGA COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1OC 441882 GRFXGBJDXIZOBJ-UHFFFAOYSA-N 280.324 1.511 50 50 CDGA O=S(=O)(O)c1ccc(CCBr)cc1 2386036 XRPCDXSRXPQUKT-UHFFFAOYSA-N 265.128 1.871 50 50 CDGA O=C1OC(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c23 100477902 FQRCSJLFCQWWBV-UHFFFAOYSA-N 288.171 1.967 50 50 CDGA COc1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)cc1 170002397 XWERNLFCPMYVQR-UHFFFAOYSA-N 296.091 1.092 50 50 CDGA COc1cc(/C=N/NC(=O)c2cc(C)on2)ccc1O 372613 UBTPYEKPVBQZFM-VGOFMYFVSA-N 275.264 1.461 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1ccc(O)cc1 54833 KBVOYZBDPPDBHJ-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA CC(C)CN(C(=O)CCl)[C@@H](C)CO[C@@H]1CCOC1 1875382500 DISURMDZFQEMRY-NWDGAFQWSA-N 277.792 1.904 50 50 CDGA NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 5999171 TWNPXEZYGIILMN-UHFFFAOYSA-N 269.348 1.679 50 50 CDGA ICCI 95738308 GBBZLMLLFVFKJM-UHFFFAOYSA-N 281.862 1.856 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 1875363997 GZZSGUPICUDYEC-QWRGUYRKSA-N 286.759 1.085 50 50 CDGA C[Si](C)(C)OC(=O)C#CC(=O)O[Si](C)(C)C 170158478 RYHMNBZWRLSKHY-UHFFFAOYSA-N 258.422 1.746 50 50 CDGA O=C(Nc1nc2ccc(Cl)cn2n1)[C@@H](F)Cl 2325901420 FANLSDFTNISUGE-ZCFIWIBFSA-N 263.059 1.856 50 50 CDGA O=C(CCl)NCc1cc2ccc(F)cc2nc1O 1875367850 STPISRUNHNRDBP-UHFFFAOYSA-N 268.675 1.935 50 50 CDGA CN(C)[C@@H](CCC(=O)NNC(=O)C1CC1)c1ccccc1 408522520 ARCXIMDUNKNIBW-AWEZNQCLSA-N 289.379 1.627 50 50 CDGA COC[C@]1(CNC(=O)[C@H](C)Cl)OCCc2ccccc21 1875376109 MPAXDRIWRWOPSP-NHYWBVRUSA-N 297.782 1.845 50 50 CDGA CCC(=O)NNC(=O)COc1cc(C)cc(C)c1 5416873 XNLZYRPJXAPIDJ-UHFFFAOYSA-N 250.298 1.240 50 50 CDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccnc1 58461 OLCPPWQRKZRYRS-ZDUSSCGKSA-N 255.277 1.752 50 50 CDGA O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1 847762 NRRPJHNEWJWHFO-VXGBXAGGSA-N 258.321 1.884 50 50 CDGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1Cl 2892348 WQWMSCFBHYRISF-OVCLIPMQSA-N 281.743 1.705 50 50 CDGA CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1 8996572 YAHBQFQHOVVECT-MRVPVSSYSA-N 250.346 1.554 50 50 CDGA in-vitro N#CSCCCNC(=O)c1ccc([N+](=O)[O-])cn1 328591467 DVXWJXSFQFRYCY-UHFFFAOYSA-N 266.282 1.324 50 50 CDGA Cc1cc(C)n2nc(C(=O)N/N=C\c3ccccc3)nc2n1 32678412 YIEYORZZYAQPJM-SXGWCWSVSA-N 294.318 1.505 50 50 CDGA COc1ccc(OC)c2c1CN(C(=O)[C@@H](C)Cl)C[C@@H]2O 1875363584 KSRCNZMRVXYNLE-SCZZXKLOSA-N 299.754 1.707 50 50 CDGA C[C@](CO)(Cc1ccc(F)cc1)NC(=O)CCl 1875367745 JMRQFUNLFQIEDL-GFCCVEGCSA-N 259.708 1.474 50 50 CDGA CN(C[C@@H]1OCCc2ccccc21)C(=O)CCl 1329863204 PQYCYSHYERHNHQ-LBPRGKRZSA-N 253.729 1.998 50 50 CDGA CCOc1cccc(/C=N/NC(=O)c2cccnc2)c1O 227603 ZFULGBFZQJLCRE-LICLKQGHSA-N 285.303 1.950 50 50 CDGA O=C(N/N=C/c1ccccc1)c1ccc(O)cc1O 4360467 NYNXPFMWHJTOQV-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccncc1 71110 ICBVILGCZXVNDT-ZDUSSCGKSA-N 267.288 1.896 50 50 CDGA O=C1O[C@@](C(=O)F)(C(F)(F)F)O[C@]1(F)C(F)(F)F 100040884 NVLMRLQANVCTOG-IUYQGCFVSA-N 288.046 1.543 50 50 CDGA O=C(N/N=C\c1ccc2c(c1)OCO2)c1cccnc1 31729320 GRDUOCQGQPFYBD-APSNUPSMSA-N 269.260 1.574 50 50 CDGA Cc1ccc(S(=O)(=O)[N@]2C[C@]2(C)CCl)cc1 1857524774 WEBFWKRVIFRTOY-WCQYABFASA-N 259.758 1.997 50 50 CDGA O=C1CC[C@@H](NC(=O)CCl)[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)N1 1875379324 PXUXEBXCMXFJKD-MCSZRVDOSA-N 284.787 1.425 50 50 CDGA C[C@H](Cl)C(=O)N[C@H]1COc2cc(F)ccc2C1 1875377199 ASSWVNRSMXEHSU-OIBJUYFYSA-N 257.692 1.873 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccco2)cc1O 3185537 DJXDPRSZSMNCOD-RIYZIHGNSA-N 260.249 1.758 50 50 CDGA COC(=O)c1cccc2c1-c1ccccc1/C2=N/NC(N)=O 13113785 TZSOUZFSFGBUOB-JXAWBTAJSA-N 295.298 1.874 50 50 CDGA CCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(F)c1 170002591 KNLJPZZQEQYXOE-UHFFFAOYSA-N 283.108 1.267 50 50 CDGA O=C(CCl)NCCC1(O)CCN(c2ccccc2)CC1 1335467605 YYSXLILJSQCVPH-UHFFFAOYSA-N 296.798 1.763 50 50 CDGA C[C@@]1(CNC(=O)CCl)OCCc2ccccc21 1337601421 HQDZJTIOVLQSGN-ZDUSSCGKSA-N 253.729 1.830 50 50 CDGA COC(=O)[C@@H](NC(=O)[C@H](F)Cl)c1cscn1 2325898546 JMMPJWRSPKLXEV-WDSKDSINSA-N 266.681 1.008 50 50 CDGA O=C(CCSS(=O)(=O)O)NCCc1ccccc1 15636468 KEPYOYVZHAERCO-UHFFFAOYSA-N 289.378 1.271 50 50 CDGA CCOc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 9046150 AQROXVRWGCZDQY-OQLLNIDSSA-N 272.308 1.881 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccncc1 48731 BYRGSGBTBKENHA-CYBMUJFWSA-N 285.303 1.726 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)Cc1ccccc1 161594 KTANCLWFWIVXSU-UHFFFAOYSA-N 268.316 1.619 50 50 CDGA CN(C)/C=C(\C=O)c1cc(N(C)C)ncc1[N+](=O)[O-] 37245963 IFNAORHRXIYFOZ-VQHVLOKHSA-N 264.285 1.157 50 50 CDGA CN(Cc1ncc(C(F)(F)F)n1C)C(=O)CCl 1875374107 AWUCFNVCXBINHN-UHFFFAOYSA-N 269.654 1.636 50 50 CDGA OB(O)c1ccc(-c2noc(-c3cccs3)n2)cc1 170002230 NTCBJYBGIVOPQH-UHFFFAOYSA-N 272.094 1.145 50 50 CDGA O=[N+]([O-])c1ccc(Oc2ccc(B(O)O)cc2)cc1 169903882 QZAOUODGFHBSGZ-UHFFFAOYSA-N 259.026 1.067 50 50 CDGA in-vitro Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)Cl)C2)n1 1875363445 AMKZVCUJTMZAMQ-KWQFWETISA-N 270.764 1.686 50 50 CDGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1 252486645 HNMXEADFWOQAIG-NTEUORMPSA-N 273.248 1.881 50 50 CDGA C[C@@H]1O[C@H]1C(=O)NNc1ccc(Br)c(F)n1 2325805087 ONWCXZFVHXHIOT-MHTLYPKNSA-N 290.092 1.214 50 50 CDGA O=C(CCl)NCCc1csc(N2CCCC2)n1 1875363593 LCSKGMLQESNPNV-UHFFFAOYSA-N 273.789 1.641 50 50 CDGA CCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 508891 ZDHGWNZQVYJKQX-UHFFFAOYSA-N 275.308 1.206 50 50 CDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccco1 2566319 PFZXPJLFKYHNNA-OQLLNIDSSA-N 271.276 1.677 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccsc1 55554710 WYBOSFCPMKPOCR-KPKJPENVSA-N 269.395 1.247 50 50 CDGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cccnc1)C(=O)N2C 96429964 OXPMNBNMVXUNLR-JXAWBTAJSA-N 294.314 1.501 50 50 CDGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cnccn1 5567778 IOYLZGOXJIIQEN-OMCISZLKSA-N 276.683 1.600 50 50 CDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(O)c1 42635 DTLIZDFEZQPPPW-CQSZACIVSA-N 298.298 1.913 50 50 CDGA O=C(NNC(=S)NCc1ccccc1)c1ccccc1 4336054 IWFOGOFFRAZHJX-UHFFFAOYSA-N 285.372 1.996 50 50 CDGA CCCOc1cc2c(cc1B(O)O)ncn2C(C)(C)C 170002135 QJGRRPKFBRJSAN-UHFFFAOYSA-N 276.145 1.260 50 50 CDGA O=[N+]([O-])c1ccc(Oc2cccc(B(O)O)c2)cc1 169747442 LJQNBOHRIBZDAE-UHFFFAOYSA-N 259.026 1.067 50 50 CDGA in-vitro CCc1n[nH]c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 18106694 XWEIUABTJGEDGF-LBPRGKRZSA-N 298.302 1.601 50 50 CDGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccccn2)[nH]n1 18148759 YPMCURJBZYMULG-CXUHLZMHSA-N 271.324 1.866 50 50 CDGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 126884 XFVNLARJUOYREU-UHFFFAOYSA-N 286.247 1.065 50 50 CDGA Cc1ccc2c(c1)/C(=N\NC(=O)c1cccnc1)C(=O)N2 6673632 KMPSDSDRKSPREV-UHFFFAOYSA-N 280.287 1.476 50 50 CDGA CS(=O)(=O)/C(C#N)=C/NCCc1nc2ccccc2[nH]1 826657263 MHNIQUHDJHDFOU-MDZDMXLPSA-N 290.348 1.105 50 50 CDGA CN(C[C@@H](O)c1cc(O)ccc1Cl)C(=O)CCl 1875379651 SRGBPQJRKRXEDQ-SNVBAGLBSA-N 278.135 1.776 50 50 CDGA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@H](C)Cl 585115134 NWHSFQGTKQGXGW-IMTBSYHQSA-N 280.777 1.727 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(O)c1 228793 HFRUOXLZXPPFHO-GIJQJNRQSA-N 294.314 1.892 50 50 CDGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccn1 228828 MICCKDHYGHOYBY-GIJQJNRQSA-N 279.303 1.582 50 50 CDGA O=C(CCl)NCc1cccc(CO[C@@H]2CCOC2)n1 1875389874 DKWUDAYGEFHZQF-GFCCVEGCSA-N 284.743 1.242 50 50 CDGA O=C(NNC1=Nc2ccccc2/C1=N\O)c1ccccc1 5010377 NBOJQSCCSFFHMH-UHFFFAOYSA-N 280.287 1.843 50 50 CDGA O=C(NNC(=O)c1cccnc1)NC1CCCCC1 290575 MFQNQBUVMHVFHN-UHFFFAOYSA-N 262.313 1.358 50 50 CDGA O=C(Cc1cccc2ccccc12)NNC(=O)C1CC1 486630 MLZOHKIHTWZXOR-UHFFFAOYSA-N 268.316 1.940 50 50 CDGA C=C1C(=O)O[C@H]2[C@H]1CC=C1C[C@@](C)(CC[C@H]1OO)[C@@H]2O 94516702 JXXWNBNYEWOORY-GGAZOKNXSA-N 280.320 1.824 50 50 CDGA endogenous,in-man NNC(=O)[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 601012428 HJSPHTGCOBHFQS-ZDUSSCGKSA-N 283.331 1.178 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H]1CCc2sccc2C1=O 1875378162 WPOQYNDFTMFQPL-SVRRBLITSA-N 257.742 1.989 50 50 CDGA CN(C(=O)CCl)[C@@H]1CCCN(c2cccnn2)C1 1875364595 XJYCRNIDEMJNDT-SNVBAGLBSA-N 268.748 1.143 50 50 CDGA COCc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)Cl)n[nH]1 1875366171 XOABGMKDGYIYCM-BDAKNGLRSA-N 286.763 1.632 50 50 CDGA O=C(O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 573605 UXKJLFYOIOJFSW-CAOOACKPSA-N 299.286 1.309 50 50 CDGA Cc1cc(C(N)=O)c(NC(=O)[C@@H](F)Cl)s1 2325901704 UTVLSKFOVISZED-RXMQYKEDSA-N 250.682 1.628 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1 1875380092 DVCGDMHRQDZFQS-OUAUKWLOSA-N 272.776 1.521 50 50 CDGA O=C(CCl)Nc1c(F)cccc1-n1cncn1 1875363803 AMKSWAKEYWHNDE-UHFFFAOYSA-N 254.652 1.584 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccoc1 207702 QGNGQBYMCCGUSU-GFCCVEGCSA-N 274.276 1.924 50 50 CDGA CCCOc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 2862387 HURIRMJPKIMJMU-UHFFFAOYSA-N 294.307 1.101 50 50 CDGA Cc1c(Cl)ccc2c(B(O)O)cc(C(F)(F)F)nc12 170002164 ZNKBXWLBFUYLMT-UHFFFAOYSA-N 289.449 1.895 50 50 CDGA NC(=O)N[C@@H]1CC=CC[C@H]1I 43761536 OPZSRQRMTCUVBV-PHDIDXHHSA-N 266.082 1.177 50 50 CDGA C[C@H]1[C@H](O)[C@]2(CO)O[C@@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 257356740 JYRSAHCTGWKYOA-VXUPGSCNSA-N 288.460 1.907 50 50 CDGA O=C(CCl)NCCc1cnn(-c2ccccc2)n1 1875367990 HSIDQIVWHBLINM-UHFFFAOYSA-N 264.716 1.165 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21 43214 GXKNZHZHTWQZRM-QINSGFPZSA-N 285.328 1.859 50 50 CDGA CN(C)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 288581 UUCJODWITRFXFY-LICLKQGHSA-N 299.330 1.928 50 50 CDGA CC1=C(C#N)[C@](NC(=O)C2CC2)(C(F)(F)F)C(O)=N1 4127497 BPAVCFHQKIHUDI-SNVBAGLBSA-N 273.214 1.581 50 50 CDGA O=C(NNS(=O)(=O)C1CCCCC1)c1ccccc1 439151 WOJLPNAPTYUPSB-UHFFFAOYSA-N 282.365 1.584 50 50 CDGA C/C(=N/NC(=O)CNC(=O)c1ccco1)c1ccccc1 4989970 FDZSRUNWTQFADC-BOPFTXTBSA-N 285.303 1.550 50 50 CDGA C[C@@H](Cl)C(=O)NCC(=O)Nc1ccc2c[nH]nc2c1 1875363936 DQTJEUFYZNVHLV-SSDOTTSWSA-N 280.715 1.245 50 50 CDGA O=C(CCl)N[C@H]1CC[C@@H](Oc2ccncc2)C1 1875376818 JMZCYCFOPNLYKP-GXSJLCMTSA-N 254.717 1.737 50 50 CDGA Cc1ccc(C)c(NC(=O)c2ccc(F)c(B(O)O)c2)c1 169744268 ZXKDIMGDWVGZRY-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA Cc1occc1C(=O)NNC(=O)c1cccs1 70249 DOEXREJQJYHHGD-UHFFFAOYSA-N 250.279 1.724 50 50 CDGA CCCCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2779474 VSWZNGVESOOCMQ-UHFFFAOYSA-N 279.296 1.936 50 50 CDGA OB(O)c1cc(C(F)(F)F)nc2ccc(F)cc12 170002059 XPVUFOLMMGYWAW-UHFFFAOYSA-N 258.967 1.073 50 50 CDGA CCOC(=O)N1CCC([C@@H](C)NC(=O)CCl)CC1 1875374600 AAWTZOLDHRVIMZ-SECBINFHSA-N 276.764 1.598 50 50 CDGA O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](F)Cl 2325898071 RIDXQGANYQWAJW-NXEZZACHSA-N 276.739 1.428 50 50 CDGA COc1ccccc1C(=O)NNC(=O)c1cccs1 320238 HKYHNHMBUYAWJV-UHFFFAOYSA-N 276.317 1.832 50 50 CDGA CN(C)C(=O)[C@@H](Br)CBr 101365082 NGLXUWPQWYFICX-BYPYZUCNSA-N 258.941 1.233 50 50 CDGA Cc1cc(CNC(=O)CCl)nc(N2CCCC2)n1 1875367911 YINOQXZTQYFPHL-UHFFFAOYSA-N 268.748 1.240 50 50 CDGA O=C(CCl)NCC[C@H]1COc2ccccc2O1 1875363990 GXRWSUWDIOIFFO-VIFPVBQESA-N 255.701 1.572 50 50 CDGA COc1ccc(/C=N/NC(=O)c2snnc2C)cc1 5792592 ODEKJIOOGHCZFM-NTUHNPAUSA-N 276.321 1.619 50 50 CDGA C=CCNS(=O)(=O)c1ccc(N=C=S)cc1 19737316 UPOGBKAGURHSDR-UHFFFAOYSA-N 254.336 1.885 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccccc1F 8733731 YGBKRIGXBXEXSO-JTQLQIEISA-N 284.250 1.127 50 50 CDGA O=C(NNC(=O)[C@@H](O)c1ccccc1)NC1CCCCC1 433087 UIRDCDBELOHPSG-ZDUSSCGKSA-N 291.351 1.383 50 50 CDGA COC(=O)NNC(=S)Nc1cc(OC)ccc1OC 8581384 HGOIGIRHMZDEGJ-UHFFFAOYSA-N 285.325 1.261 50 50 CDGA O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21 100004166 FYYYKXFEKMGYLZ-UHFFFAOYSA-N 294.218 1.975 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1875376374 VCYFKCSVCAMVHZ-NXEZZACHSA-N 286.763 1.025 50 50 CDGA COc1cccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)c1 5671052 VMMUFHGHAQUOQJ-LGMDPLHJSA-N 299.286 1.309 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 4674336 SSECTZQWGHOJHV-NSHDSACASA-N 253.265 1.331 50 50 CDGA in-vitro O=C1Nc2ccccc2/C1=N/NC(=O)c1cccc(O)c1 5731672 XCEDWEWFIKQYGQ-UHFFFAOYSA-N 281.271 1.478 50 50 CDGA CCCCc1ccc(C(=O)NNC(N)=S)cc1 1919863 QBGZGRJHUDQUHB-UHFFFAOYSA-N 251.355 1.507 50 50 CDGA Nc1ccc(C(=O)NN=C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cc1 100482818 DBNHZCAZQKTVNW-RILABDALSA-N 299.374 1.926 50 50 CDGA O=C(Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 33435313 IQEQMBNXMBVLTQ-LLVKDONJSA-N 251.713 1.843 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccn(CC(F)F)n1 1875366164 XENHRUSPGBSWKU-ZCFIWIBFSA-N 251.664 1.392 50 50 CDGA COc1cc(C2CN(C(=O)CCl)C2)ccc1F 1875377686 KXHIAGHUESEHBF-UHFFFAOYSA-N 257.692 1.999 50 50 CDGA CC(=O)N1CC[C@@H](NC(=O)CCl)c2ccc(F)cc2C1 1875374762 DMHNIMGBPMSDSZ-CYBMUJFWSA-N 298.745 1.974 50 50 CDGA CCCOc1c(Br)cc(F)cc1B(O)O 169876964 XOBLNJQYFCQQTQ-UHFFFAOYSA-N 276.898 1.057 50 50 CDGA in-vitro Cc1ccc(/C=N/NC(=O)c2ccc(O)c(O)c2)o1 297522 KEQDYDCAZCLDGA-VGOFMYFVSA-N 260.249 1.763 50 50 CDGA Cc1cc(B(O)O)ccc1OCc1ccc(Cl)cc1 199000549 AOVSUAJHCGSCBH-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA C[S@](=O)C[C@H](NC(=O)[C@H](F)Cl)C(C)(C)C 2325820680 DVKKILPPNWZVMZ-AKRFPOAQSA-N 257.758 1.430 50 50 CDGA COC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl 3129985 KHDSCYSLNOSEOR-IMJSIDKUSA-N 250.509 1.462 50 50 CDGA Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1C 370967 AMTZHBBDTRDGOU-VGOFMYFVSA-N 287.279 1.401 50 50 CDGA CCCCCC[C@@H]1C[C@H](C(C)=NNC(N)=O)OC1=O 252677984 BZWDETNHJPQLHP-GHMZBOCLSA-N 269.345 1.933 50 50 CDGA O=C(CCl)NC[C@H]1CCCCN1C(=O)C(F)(F)F 1875369725 CVGGIFRMTFUSQA-SSDOTTSWSA-N 286.681 1.285 50 50 CDGA CCOC(=O)/C(C#N)=C1/N(C)c2ccccc2N1N 12412156 FIZIKNPPKABGNC-XFXZXTDPSA-N 258.281 1.115 50 50 CDGA CCCc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 6529066 ZNSGXBZFMUKTOO-CLAHSXSESA-N 274.324 1.495 50 50 CDGA COC(=O)c1occc1/C=C(\C#N)C(=O)N1CCCC1 222037088 FPJDZIIINUHKHR-DHZHZOJOSA-N 274.276 1.596 50 50 CDGA O=C(CCl)N1CCc2c(O)nnc(C(F)(F)F)c2C1 1875370549 SXAIBIDLFSQIDQ-UHFFFAOYSA-N 295.648 1.325 50 50 CDGA O=C(CCl)NCC1(n2cc(Br)cn2)CC1 1119617983 ZABTXCXKXXUVFN-UHFFFAOYSA-N 292.564 1.490 50 50 CDGA O=C(CCNC(=O)[C@@H](F)Cl)OC1CCCCC1 2325898160 VOYBFIOONARJTE-SNVBAGLBSA-N 265.712 1.903 50 50 CDGA COCc1n[nH]c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2 4453469 RQDLAKZEOIXFHO-SNVBAGLBSA-N 288.332 1.836 50 50 CDGA Cc1nn(C)c(NNC(=O)c2ccc(C#N)cc2)c1C#N 1875349641 GWSGYJVZZUCJNG-UHFFFAOYSA-N 280.291 1.229 50 50 CDGA C[C@@H](NC(=O)CCl)c1cc(C(F)(F)F)n[nH]1 1875377405 ZJUSRLPGMOATQI-SCSAIBSYSA-N 255.627 1.845 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 1875375749 HMPRAWARUPLAPO-GARJFASQSA-N 275.776 1.298 50 50 CDGA O=C(CCl)NC1CC(O)(c2ccc(F)cc2)C1 1875374742 ZUJINUAVAFIODO-UHFFFAOYSA-N 257.692 1.531 50 50 CDGA Cn1nccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 247273 ZRGKPSLJTDUUBX-MDWZMJQESA-N 273.252 1.092 50 50 CDGA COc1ccc(/C=N/NC(=O)c2ccccn2)cc1O 365512 YCVYDKYHQMTBHL-CXUHLZMHSA-N 271.276 1.560 50 50 CDGA O=C(O)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 232290 IOMYHKFNARIVEI-CXUHLZMHSA-N 269.260 1.544 50 50 CDGA C[C@@H](Cl)C(=O)NCC(C)(C)C(=O)N1CCCC1 1875366792 AMYWPEUDYVEHNZ-SECBINFHSA-N 260.765 1.379 50 50 CDGA C[C@]1(CNC(=O)CCl)OCCc2sccc21 1875378154 WMYPIHBNDGRKRH-LLVKDONJSA-N 259.758 1.891 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 1875380350 MGXPUZCPFPJOLM-WPRPVWTQSA-N 298.774 1.389 50 50 CDGA CO[C@@H](CNC(=O)[C@@H](C)Cl)Cc1ccccc1 1875377664 KJCYIZXRPOHQFY-ZYHUDNBSSA-N 255.745 1.988 50 50 CDGA O=C(NCc1ccccc1)N/N=C/c1cnc2ncccn12 2325738782 DUBTUXCNMUPQBC-YBFXNURJSA-N 294.318 1.563 50 50 CDGA NNC(=O)COc1ccc(Oc2ccccc2)cc1 440745 AINHUAQVIBXSFV-UHFFFAOYSA-N 258.277 1.848 50 50 CDGA O=c1c(Cl)c(Cl)cnn1CBr 3130430 SYXPYJNBJWPWKF-UHFFFAOYSA-N 257.902 1.903 50 50 CDGA CCC(=CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)CC 152606226 FCAQLSDRAUYJPI-LBPRGKRZSA-N 288.413 1.225 50 50 CDGA CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 254429097 TUUZZRNQKSTHBQ-XZBKPIIZSA-N 296.990 1.764 50 50 CDGA COC1(OC)CC2(CN(C(=O)CCl)[C@H]2C(C)C)C1 1875374882 IKHOTNRCMKDRAV-NSHDSACASA-N 275.776 1.861 50 50 CDGA COc1cccc2c1CC[C@@]2(CO)NC(=O)CCl 1875375015 NZNMYHWPCQVRLV-ZDUSSCGKSA-N 269.728 1.184 50 50 CDGA COCc1cc(NC(=O)CCl)cc2c1OCOC2 1875364399 LZZJPMPLUQUOKI-UHFFFAOYSA-N 271.700 1.877 50 50 CDGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(F)cc1 47791 LGFVVVINKSLGBW-RQZCQDPDSA-N 297.293 1.721 50 50 CDGA CCOc1ccccc1C(=O)NNC(=O)c1cccnc1 527711 JQJXIKQYKWEUDK-UHFFFAOYSA-N 285.303 1.555 50 50 CDGA O=C(O)C[C@H](Br)C(=O)CBr 1615346 WJBYRLPTCCHXFM-VKHMYHEASA-N 273.908 1.189 50 50 CDGA O=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCCC1 2892290 HJSHDAZYJCIYRX-MHWRWJLKSA-N 293.754 1.803 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1875376465 XVEZMHABIPMCND-PWSUYJOCSA-N 289.803 1.688 50 50 CDGA CO[Si](OC)(OC)c1c(F)c(F)c(F)c(F)c1F 169807331 XFFHTZIRHGKTBQ-UHFFFAOYSA-N 288.244 1.467 50 50 CDGA in-vitro OB(O)c1c(F)cc(C(F)(F)F)cc1Br 1775955651 OHCZSCIJNPRBGE-UHFFFAOYSA-N 286.815 1.287 50 50 CDGA COc1cccc(C2C(C#N)=C(N)SC(N)=C2C#N)c1 292476 CQDHSRVZYTXLFP-UHFFFAOYSA-N 284.344 1.913 50 50 CDGA CS(=O)(=O)Nc1ccc(C(=O)CBr)cc1 34595703 IOXQOFCRSXSIQZ-UHFFFAOYSA-N 292.154 1.636 50 50 CDGA in-vitro CCO[Si](CCOC[C@H]1CO1)(OCC)OCC 196538324 RWJUTPORTOUFDY-NSHDSACASA-N 264.394 1.450 50 50 CDGA COc1cc(/C(C)=N/NC(=O)c2cc(C)n[nH]2)ccc1O 13645990 RVHFJTZUJGXSBG-CXUHLZMHSA-N 288.307 1.586 50 50 CDGA C[C@@H](NC(=O)CCl)c1nc2ccccc2n1C 32919532 JBFUETSETJUFKV-MRVPVSSYSA-N 251.717 1.989 50 50 CDGA C[C@@H](Cl)C(=O)N1CCn2c(C#N)ccc2[C@H]1C 1875374198 FDFUCPCOBMBNEE-RKDXNWHRSA-N 251.717 1.890 50 50 CDGA Nc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccccc21 5594103 ZCOMWGCZUURAKD-UHFFFAOYSA-N 280.287 1.355 50 50 CDGA COc1nccnc1NNC(=O)c1ccc2cc[nH]c2n1 764482497 YCFSLXQZIPOYHS-UHFFFAOYSA-N 284.279 1.118 50 50 CDGA CCCC(=O)NNC(=O)Cc1ccc(Cl)cc1 14003127 RLUWGMBIGNMUPD-UHFFFAOYSA-N 254.717 1.830 50 50 CDGA CCc1[nH]nc2c1[C@@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39325429 MFPPGDLEHQARJH-OAHLLOKOSA-N 285.351 1.022 50 50 CDGA CCCOc1ccc(F)c(B(O)O)c1Br 169877210 AIRJDYNENADRSB-UHFFFAOYSA-N 276.898 1.057 50 50 CDGA in-vitro O=C(CCCl)N1CCN(C(=O)c2ccco2)CC1 2027098 HZQQKLIIJMDWGD-UHFFFAOYSA-N 270.716 1.193 50 50 CDGA COC(=O)C1(N(C(=O)[C@H](C)Cl)C2CC2)CCC1 1875377986 SSLARKSHFQLYSL-QMMMGPOBSA-N 259.733 1.700 50 50 CDGA CN(C(=O)CCl)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1875370393 NJEKLAUTNPPYNL-SNVBAGLBSA-N 290.791 1.987 50 50 CDGA OB(O)c1cc(F)ccc1OCc1ccccc1Cl 169922569 OAABGVGNAHTONF-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA CCCOc1cc(B(O)O)cc(Cl)c1OCC 169964633 LVRMTRMYJJKPHK-UHFFFAOYSA-N 258.510 1.207 50 50 CDGA COc1ccccc1-c1nc(-c2ccc(B(O)O)cc2)no1 170002335 KXLRVPYOOHDPDF-UHFFFAOYSA-N 296.091 1.092 50 50 CDGA Cc1ccc(S(=O)(=O)N2CC(=CC=O)C2)cc1 95627029 ALKGMTXUSASZAO-UHFFFAOYSA-N 251.307 1.125 50 50 CDGA Cc1ccsc1C=NNC(=O)Cn1nnc2ccccc21 252441104 GMLDENGBMISLIX-UHFFFAOYSA-N 299.359 1.952 50 50 CDGA CN(Cc1nnnn1C(C)(C)C)CC(Cl)Cl 585116498 YRRLTBZJIIZZEQ-UHFFFAOYSA-N 266.176 1.664 50 50 CDGA CC1(CC(=O)N/N=C/c2ccc3c(c2)OCO3)OCCO1 440442 KWQPNCKOEQMQHR-OVCLIPMQSA-N 292.291 1.019 50 50 CDGA COc1ccc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)cc1 17783669 DPZWRQYGLJLNPG-OVCLIPMQSA-N 288.307 1.125 50 50 CDGA C[C@]1(CNC(=O)C2CCNCC2)C[C@@H]1Br 1328918402 KHTCQXONWQZKQE-GXSJLCMTSA-N 275.190 1.276 50 50 CDGA O=C(O)[C@@H]1[C@@H]2C(=O)O[C@H]3[C@H](Br)[C@H]1C1(CC1)[C@H]32 239231174 VBPDRWSGPODPHD-UBNJLOLWSA-N 287.109 1.032 50 50 CDGA O=C1OC[C@@]23CC[C@@H](C[C@H]12)[C@@H](O)[C@H]3Br 257357939 QVFNREKEGANANW-XWMFUOCPSA-N 261.115 1.084 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1cccs1 259643 MYDBRBJXTQFELW-NTUHNPAUSA-N 262.290 1.923 50 50 CDGA Cc1cccc(C)c1NC(=O)c1cc(B(O)O)ccc1F 169744244 RMVPFAYLEKWPED-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA CC(C)(C)OC(=O)N1CCCc2ccc(B(O)O)cc21 169955674 ZQYNWTITBYUFJL-UHFFFAOYSA-N 277.129 1.054 50 50 CDGA O=C(CCl)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 1875369940 RVOUNXFMYZOWEG-VIFPVBQESA-N 291.731 1.399 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cccc2c1CCNC2=O 1875378212 XMRALYCGONLYBA-SSDOTTSWSA-N 252.701 1.538 50 50 CDGA CCCCOc1c(Br)cc(F)cc1B(O)O 169876852 DREJEOAXSCRYPA-UHFFFAOYSA-N 290.925 1.447 50 50 CDGA in-vitro COC(=O)c1cc(Br)cn1/N=C(/N)CCl 261508899 YBERFBBKPFOVCJ-UHFFFAOYSA-N 294.536 1.396 50 50 CDGA O=C(NNS(=O)(=O)c1ccccc1)c1ccccc1 12492319 PYRRHWMYQYFFSN-UHFFFAOYSA-N 276.317 1.310 50 50 CDGA COc1cc(B(O)O)ccc1O[Si](C)(C)C(C)(C)C 169745400 OQOAUYLMODKGHX-UHFFFAOYSA-N 282.221 1.759 50 50 CDGA O=[P@@]1(NCCCl)OCCCN1CCCl 1530659 HOMGKSMUEGBAAB-AWEZNQCLSA-N 261.089 1.884 50 50 CDGA biogenic,fda OB(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1 169745605 NWZHBEJEZSNEIF-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA OB(O)c1ccc(CN2CCCc3ccccc32)cc1 202558797 RSHIIKLHMGRVDA-UHFFFAOYSA-N 267.137 1.319 50 50 CDGA CCOCCC(=O)NNC(=O)c1ccc(C(C)C)cc1 10452151 KXHTUATZWOSZDI-UHFFFAOYSA-N 278.352 1.998 50 50 CDGA CCOC(=O)CCC(=O)N/N=C(\C)c1cccs1 25725967 PFBGZKHHQJOPKF-UKTHLTGXSA-N 268.338 1.932 50 50 CDGA C[C@@H](Cl)C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 1875366570 YBGSNKBLZGDPND-ZYHUDNBSSA-N 274.792 1.183 50 50 CDGA Cc1nc(CN2CCC(CNC(=O)CCl)CC2)oc1C 1253967906 GPDDAJLFKCVHFP-UHFFFAOYSA-N 299.802 1.858 50 50 CDGA O=C(CCl)NCc1noc(-c2cccs2)n1 1875374992 NATWESHCEFULFL-UHFFFAOYSA-N 257.702 1.653 50 50 CDGA O=C(CCl)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 1875369726 CVGGIFRMTFUSQA-ZETCQYMHSA-N 286.681 1.285 50 50 CDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1 4347496 YRFORHVJKCZOLF-LICLKQGHSA-N 282.303 1.479 50 50 CDGA Cc1ccc(F)cc1COc1cccc(B(O)O)c1C=O 2325826258 VXKRKXSSEORIPN-UHFFFAOYSA-N 288.083 1.205 50 50 CDGA COc1ccc(OC)c(CNC(=O)CBr)c1 82506244 WWNVALNLWDHBPA-UHFFFAOYSA-N 288.141 1.715 50 50 CDGA C=CCNC(=S)NNC(=O)c1ccccc1Cl 2167149 ISRNIMPRPHUTHS-UHFFFAOYSA-N 269.757 1.635 50 50 CDGA C[C@@H](Cl)C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 1875380347 MGXPUZCPFPJOLM-PSASIEDQSA-N 298.774 1.389 50 50 CDGA O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)CCl 1875374649 BQIWWXYOSRTYGC-VHSXEESVSA-N 259.733 1.212 50 50 CDGA COC(=O)/C(C#N)=C1/O[C@@H](c2cccc(O)c2)CN1C 252509347 YLTRRVBAKIVLDN-RVROTUBLSA-N 274.276 1.303 50 50 CDGA O=C(NNC(=O)[C@H](O)c1ccccc1)NC1CCCCC1 433088 UIRDCDBELOHPSG-CYBMUJFWSA-N 291.351 1.383 50 50 CDGA O=C(NNC(=O)c1ccco1)c1ccnc(C2CC2)n1 1875257828 VVQBMZGAYQWZFP-UHFFFAOYSA-N 272.264 1.022 50 50 CDGA OB(O)c1c(Br)ccc(Cl)c1Cl 169995450 MTOJHIIWLKTMGL-UHFFFAOYSA-N 269.718 1.436 50 50 CDGA in-vitro CCOC(=O)/C(C#N)=C(\N)C(Cl)(Cl)Cl 19789278 KYTOUGMOZGVXTJ-PLNGDYQASA-N 257.504 1.656 50 50 CDGA CC(C)(C)OC(=O)COCCOCCBr 214943339 LEOVLGAAQMGPBM-UHFFFAOYSA-N 283.162 1.756 50 50 CDGA in-vitro O=C(CCl)N[C@@H]1CC[C@@H](Oc2ccncc2)C1 1875376820 JMZCYCFOPNLYKP-MWLCHTKSSA-N 254.717 1.737 50 50 CDGA O=C(O)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 438002 NURIVHKPZZQVRB-LZYBPNLTSA-N 269.260 1.544 50 50 CDGA CCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(Cl)c1 170002513 AGSKWJYKHXECBN-UHFFFAOYSA-N 299.563 1.781 50 50 CDGA O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]1C1CCCCC1 170638999 GCPODFBXNKWMFY-QWHCGFSZSA-N 295.383 1.276 50 50 CDGA COc1cc(C(=O)N/N=C/c2ccco2)ccc1O 437270 VANBZUUCIAPMHL-RIYZIHGNSA-N 260.249 1.758 50 50 CDGA Cc1cccc(NC(=O)c2ccc(B(O)O)cc2F)c1 169744289 HIDXHRAWBMKDSG-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 259824 KRVFXWRRFLGDRY-JTQLQIEISA-N 268.700 1.280 50 50 CDGA Cc1ccccc1-n1ncc(C(=O)NN)c1C(F)(F)F 2522135 INEWEBSCNQRRKP-UHFFFAOYSA-N 284.241 1.803 50 50 CDGA C[C@@H](Cl)C(=O)N1CCNC(=O)[C@H]1c1cccs1 1875364299 NKHKJSZPMFRUKG-VXNVDRBHSA-N 272.757 1.375 50 50 CDGA Cn1ccnc1[C@H](NC(=O)CCl)C(F)(F)F 1875367792 NPMUBZUAQVGFEQ-LURJTMIESA-N 255.627 1.379 50 50 CDGA CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2[C@H](O)CO[C@@H]12 221912434 AKDSNJPFRALERM-DBIOUOCHSA-N 260.406 1.535 50 50 CDGA N#C/C(C(=S)Nc1ccccc1)=C(/N)N1CCOCC1 169723 MIEMGDKRTRRKEK-OUKQBFOZSA-N 288.376 1.452 50 50 CDGA CNC(=O)[C@H](Br)CCCBr 219242134 HPBOZZBEWRDXEC-RXMQYKEDSA-N 272.968 1.671 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1[C@H]2CCCC[C@H]21 245380420 YSLAVDGJVHQUCM-CHTVHPABSA-N 274.320 1.984 50 50 CDGA CC(=O)Nc1ccc(C(=O)CBr)nn1 66349013 WOJCPHWDHSCKIO-UHFFFAOYSA-N 258.075 1.013 50 50 CDGA in-vitro CCC1(CC)CN(C(=O)[C@@H](C)Cl)CCS1(=O)=O 1875378214 XNCZFVRCOHFLGF-SECBINFHSA-N 281.805 1.430 50 50 CDGA COc1cncc(C(=O)NNc2ncccc2Cl)n1 792328740 RKZPYYVLQWQFKA-UHFFFAOYSA-N 279.687 1.291 50 50 CDGA N#Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 238906 UQOSTQXGXOYPMU-RQZCQDPDSA-N 281.271 1.733 50 50 CDGA CN(C)S(=O)(=O)c1ccc(N=C=S)c2nonc12 2518345 SUOZAUUDBKHLHQ-UHFFFAOYSA-N 284.322 1.207 50 50 CDGA in-vitro CC(=O)Nc1ccc(NC(=O)CBr)cc1 5900199 WWLGGODAOVNIBC-UHFFFAOYSA-N 271.114 1.978 50 50 CDGA O=C(CCl)Nc1ccc(I)cn1 169754 ZKTOQFJFYRFCIG-UHFFFAOYSA-N 296.495 1.864 50 50 CDGA C[C@@H](Cl)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 1875377737 MIOTZNLFCDLAKH-ZCFIWIBFSA-N 272.654 1.194 50 50 CDGA COCCOCCOCCOCCBr 44882567 YFFFQGXWMHAJPP-UHFFFAOYSA-N 271.151 1.078 50 50 CDGA in-vitro O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CC1 14003132 HRBSXLULDHAEIT-UHFFFAOYSA-N 252.701 1.440 50 50 CDGA N#C/C(C(=O)N1CCOCC1)=C(/S)Nc1ccccc1 4190063 CUCRNJGEZXLGOJ-SEYXRHQNSA-N 289.360 1.622 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccccc1 4990328 ZUQPHBFMANBPOL-GXDHUFHOSA-N 263.366 1.186 50 50 CDGA O=C(CCl)NCc1ccn(Cc2ccccc2)n1 389612066 MDBNIDQSPRFHPU-UHFFFAOYSA-N 263.728 1.786 50 50 CDGA O=C(CCl)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 1262196141 YYYJLTGSMJLVDQ-NKWVEPMBSA-N 259.655 1.841 50 50 CDGA Nc1ccc(C(=O)N/N=C2/CN3CCC2CC3)cc1 4737810 FDBMFLGFIYCHQP-SSZFMOIBSA-N 258.325 1.080 50 50 CDGA CCCOc1ccc(-c2ccc(B(O)O)cc2)cc1 169747376 ZJCHLFOLMBDUPR-UHFFFAOYSA-N 256.110 1.822 50 50 CDGA in-vitro CCOC(=O)c1c(C)oc2ccc(OCC(=O)NN)cc12 352366 GGLMCLGNPLYWCE-UHFFFAOYSA-N 292.291 1.287 50 50 CDGA biogenic CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Cl)CC2 1875364778 UCDKCBKCIBOGIU-BDAKNGLRSA-N 270.764 1.460 50 50 CDGA OB(O)c1cccc(OCc2cccc(Cl)c2)c1 169877185 ZSNYOIJMFZLJES-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CN(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 61567 MSHOEHQTHKGVOD-GZTJUZNOSA-N 268.320 1.912 50 50 CDGA O=C/C(Br)=C(\Br)C(=O)O 12362023 NCNYEGJDGNOYJX-NSCUHMNNSA-N 257.865 1.271 50 50 CDGA in-vitro O=C(CCc1ccccc1)NCC(=O)N/N=C/c1ccco1 2894222 GIROWTJXOJOUAI-WOJGMQOQSA-N 299.330 1.479 50 50 CDGA Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 4137026 KBSIKCVNXVVXMS-HNNXBMFYSA-N 293.286 1.043 50 50 CDGA Cc1ccc(C(=O)CBr)cc1S(N)(=O)=O 34592595 IIIJSOISJAIMKC-UHFFFAOYSA-N 292.154 1.220 50 50 CDGA CNC(=O)c1cccc(N(C)C(=O)[C@@H](C)Cl)c1 1875367131 MNOWNEWEMCUNMP-MRVPVSSYSA-N 254.717 1.636 50 50 CDGA C[C@@H](Cl)C(=O)N(C)[C@H]1CCCc2c1cnn2C 1875377968 SJJPAXPXCLGMEG-SCZZXKLOSA-N 255.749 1.883 50 50 CDGA CS(=O)(=O)C[C@@H](NC(=O)CCl)c1ccccc1 1857785063 JDGMQCVENCDWLY-SNVBAGLBSA-N 275.757 1.127 50 50 CDGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccco2)c1 41962 YDAONOWJWDHTFW-UHFFFAOYSA-N 288.303 1.736 50 50 CDGA O=S(=O)(NCCBr)c1ccc(F)cc1 2570346 FOIQBZWKLXWNHH-UHFFFAOYSA-N 282.134 1.499 50 50 CDGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(O)cc1O 55425286 OKNCITWDKZLAPF-NVMNQCDNSA-N 299.330 1.968 50 50 CDGA NNC(=O)c1nc(-c2ccccc2Cl)ns1 725345790 ISIHVASBIHXHFM-UHFFFAOYSA-N 254.702 1.462 50 50 CDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1O 1754329 WOZSVDDSXXRWDT-VCHYOVAHSA-N 297.314 1.272 50 50 CDGA CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21 216348210 TUUZZRNQKSTHBQ-BWBBJGPYSA-N 296.990 1.764 50 50 CDGA O=C(CCl)NCCc1nccn1Cc1ccccc1 1875364410 MEKGBEPVAXBBRI-UHFFFAOYSA-N 277.755 1.829 50 50 CDGA COc1cccc(CNC(=O)CBr)c1OC 950733949 PFEXYETYOJMHDK-UHFFFAOYSA-N 288.141 1.715 50 50 CDGA Cc1cc(OCc2ccc(B(O)O)cc2)ccc1Cl 169877223 OUKUADBAEFEIGP-UHFFFAOYSA-N 276.528 1.907 50 50 CDGA in-vitro O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1 3156025 OBHSMTCACKBFDC-NTUHNPAUSA-N 275.220 1.657 50 50 CDGA CCc1ccccc1NC(=O)c1ccc(B(O)O)c(F)c1 169744466 QBYDVDZHEFHRDR-UHFFFAOYSA-N 287.099 1.320 50 50 CDGA CO[C@H](C(=O)NN=C1CCN(C)CC1)c1ccccc1 55436418 LYNPUTCLBNYGHM-AWEZNQCLSA-N 275.352 1.572 50 50 CDGA CC[C@@H](NC(=O)/C(C#N)=C\c1cn(C)nn1)c1ccccc1 490699063 SCPPZAPGYYDJBC-UZGISAJGSA-N 295.346 1.990 50 50 CDGA O=C(N/N=C/c1cccc(O)c1)c1n[nH]c2c1CCC2 109133 VCTZRZCDTWGLKS-OVCLIPMQSA-N 270.292 1.368 50 50 CDGA O=C(NNC(=O)c1ccncc1)Nc1ccc(F)cc1F 2156064 DWANKMVHUAYNPK-UHFFFAOYSA-N 292.245 1.826 50 50 CDGA CSc1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1 102302367 ONWTUEXOLVRHRO-RIYZIHGNSA-N 290.348 1.125 50 50 CDGA CC(C)(C)c1ccc(OCn2ccc(C(=O)NN)n2)cc1 39425 WROODYQOXGLQBX-UHFFFAOYSA-N 288.351 1.821 50 50 CDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccn1 1204704 LZDFGIVJJSFNOT-UHFFFAOYSA-N 289.722 1.739 50 50 CDGA C[C@@H](Cl)C(=O)N1CCOC[C@@H]1c1cccn1C 1875377472 FGOYINDEEOCOTN-MWLCHTKSSA-N 256.733 1.552 50 50 CDGA O=C1c2ccccc2C(=O)N1CCBr 155638 CHZXTOCAICMPQR-UHFFFAOYSA-N 254.083 1.678 50 50 CDGA CSc1nc2n(n1)C(N)=C(C#N)[C@H](c1ccccc1)N2 6757814 OHGUMVRUHHWZBZ-JTQLQIEISA-N 284.348 1.818 50 50 CDGA C[C@@H](Nc1ccccc1Br)C(=O)NN 34925097 NWBOTOALGJGUII-ZCFIWIBFSA-N 258.119 1.239 50 50 CDGA CN(C[C@H]1CCCN1c1cccnn1)C(=O)CCl 1875363553 IWAFYNZAEVRMRP-SNVBAGLBSA-N 268.748 1.143 50 50 CDGA O=[N+]([O-])c1cc(B(O)O)c(Cl)c(Cl)c1Cl 169903996 ZUBMJZYQEWYAHH-UHFFFAOYSA-N 270.264 1.235 50 50 CDGA in-vitro C[C@@]1(Br)CS(=O)(=O)C[C@@H]1Br 1236557 NRTPKWCCOPMHSN-CRCLSJGQSA-N 291.992 1.332 50 50 CDGA C[C@H](Cl)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 1875377736 MIOTZNLFCDLAKH-LURJTMIESA-N 272.654 1.194 50 50 CDGA NC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 247435 JCZQBHYCARTJSB-VGOFMYFVSA-N 274.236 1.857 50 50 CDGA biogenic Cc1cccc(NC(=O)c2ccc(B(O)O)cc2F)c1C 169744260 UCWVPFOJTGRKRC-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA CCN(C)NC(=O)Cc1csc(-c2ccccn2)n1 408516515 BFNZKCKQAILDIE-UHFFFAOYSA-N 276.365 1.731 50 50 CDGA OB(O)c1cnc(OCc2ccccc2)c(C(F)(F)F)c1 206461461 DOKBJOZTEYCPGO-UHFFFAOYSA-N 297.041 1.359 50 50 CDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccnc1 43695 GIIJAICGWYGVLW-ZDUSSCGKSA-N 267.288 1.896 50 50 CDGA CC(C)COc1cc(Br)cc(B(O)O)c1 169746247 IXGHRDWYMOJQRZ-UHFFFAOYSA-N 272.935 1.164 50 50 CDGA in-vitro N#CC(=C1NCCCN1)S(=O)(=O)c1ccc(Cl)cc1 170610655 ZRMIWZJPBLBKOX-UHFFFAOYSA-N 297.767 1.389 50 50 CDGA CC(C)(N)CC(=O)NC[C@]1(C)C[C@H]1Br 857007507 MZWHCBYKNCLBLW-XCBNKYQSSA-N 263.179 1.404 50 50 CDGA N#Cc1cc(B(O)O)c2c(c1)ncn2C1CCCCC1 170002200 MINXCZHGKLLVNQ-UHFFFAOYSA-N 269.113 1.093 50 50 CDGA NS(=O)(=O)c1cccc2cc(NC(=O)CCl)ccc12 1875377790 NNQVGDMXAZITHA-UHFFFAOYSA-N 298.751 1.665 50 50 CDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccncc2)c1 5795923 NVCDEDYFYHAXQN-VXLYETTFSA-N 296.330 1.270 50 50 CDGA CCC12C[C@@H]3C[C@H](C1)CC(C(=O)NNC(N)=O)(C3)C2 13687195 OJBBCSHJQQHJMY-XYAOECAESA-N 265.357 1.683 50 50 CDGA COC(=O)N/N=C\c1c(C)nn(-c2ccccc2)c1O 19795146 FMEKAFYNQPCHFL-ZSOIEALJSA-N 274.280 1.576 50 50 CDGA CCn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)n1 4237598 ZQOFDJPUGZLHGT-LBPRGKRZSA-N 284.323 1.461 50 50 CDGA CC[C@@]1(CO)CO[C@@H](CI)C1 521399532 ZICPUOILXZMYGJ-HTQZYQBOSA-N 270.110 1.599 50 50 CDGA COc1ccc2ccccc2c1-c1cc(C(=O)NN)[nH]n1 18148518 DPRPQQJCMQDAJO-UHFFFAOYSA-N 282.303 1.842 50 50 CDGA C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 2901544 FZAJOIQAXOKVIU-MHWRWJLKSA-N 289.335 1.226 50 50 CDGA CCCCCC[C@H]1C[C@@H](C(C)=NNC(N)=O)OC1=O 252677986 BZWDETNHJPQLHP-QWRGUYRKSA-N 269.345 1.933 50 50 CDGA CCNC(NCC)=C(C#N)c1nccn1CC(F)(F)F 170610673 CZMBYLYKDHAPQL-UHFFFAOYSA-N 287.289 1.857 50 50 CDGA CC(C)CCOc1ccc2ccccc2c1B(O)O 169928433 SVZXDQRZLMYRLP-UHFFFAOYSA-N 258.126 1.945 50 50 CDGA in-vitro O=C(N/N=C/c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1 62349 POSRUYVVJMOFRO-RIYZIHGNSA-N 258.237 1.687 50 50 CDGA CC(C)COc1cc(C(F)(F)F)ccc1B(O)O 169964662 HNSBTOIZQFKAHB-UHFFFAOYSA-N 262.036 1.420 50 50 CDGA Nc1nc(CCl)nc(Nc2ccc3c(c2)OCCO3)n1 85389093 QGSHRVYOIASLMD-UHFFFAOYSA-N 293.714 1.707 50 50 CDGA Cn1nc(C(F)(F)F)c(Cl)c1CNC(=O)CCl 1875368118 RMSMZGAPWVTUNI-UHFFFAOYSA-N 290.072 1.947 50 50 CDGA CC[C@H]1CN(C(=O)CCl)C[C@]2(CCCOC2)O1 1875377523 GJPCEWHDOCVGJV-JQWIXIFHSA-N 261.749 1.412 50 50 CDGA CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)C(=O)NC1CC1 229700526 UAYRUNRZBPIGND-FFHTUOKVSA-N 275.352 1.359 50 50 CDGA CC1(C)[C@@H](N)C[C@H]1NC(=O)[C@@]1(C)C[C@H]1Br 1615002080 DJOWZQKTHWOEFL-UVMAFCGOSA-N 275.190 1.402 50 50 CDGA O=C(CSc1ncn[nH]1)N/N=C/c1ccc(F)cc1 5944525 OTVKEHOREDGAND-LHHJGKSTSA-N 279.300 1.186 50 50 CDGA Cc1cccc(NC(=O)c2cc(F)cc(B(O)O)c2)c1 169744212 LKIFEEVIQSACEL-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA CCCCOc1c(Br)cccc1B(O)O 169746563 HKYOOGBELZHMIS-UHFFFAOYSA-N 272.935 1.308 50 50 CDGA O=C(NNc1ccccc1)C(=O)NNc1ccccc1 1867085 KNYRBAZKFQHSLZ-UHFFFAOYSA-N 270.292 1.273 50 50 CDGA C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccco1 4898614 QBPGGZWTCJEOMP-QQFZQELXSA-N 258.277 1.853 50 50 CDGA Cc1ccc2c(c1)NC(=O)/C2=N\NC(=O)c1ccncc1 170615394 PJHCYJQAIRRNST-UHFFFAOYSA-N 280.287 1.476 50 50 CDGA CCc1n[nH]c(C(=O)N/N=C/c2ccccn2)c1C 447236 RXCFEDIJJJYBPC-OVCLIPMQSA-N 257.297 1.439 50 50 CDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCO1 15659464 FAUCWCYEOIOZCC-NSHDSACASA-N 282.727 1.209 50 50 CDGA CC(=O)Nc1ccc(S(=O)(=O)SCC(=O)O)cc1 391060 QOHAEHDPDWHYKJ-UHFFFAOYSA-N 289.334 1.152 50 50 CDGA COc1ccccc1/C=N/NC(=O)C(=O)NC(C)(C)C 2892432 ZGZHTHUIONUKRX-OQLLNIDSSA-N 277.324 1.060 50 50 CDGA Cc1[nH]nc2c1[C@]1(C[C@H](C)N(C)C[C@@H]1C)C(C#N)=C(N)O2 4453439 XOMRCAYPPKIJTK-UTEYVOQOSA-N 287.367 1.402 50 50 CDGA Cn1cc(C(=O)N/N=C/c2cc3ccccc3[nH]2)ccc1=O 4990084 NYKRLTTWFVYNHH-RQZCQDPDSA-N 294.314 1.631 50 50 CDGA CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCl 1875367781 MQSHVAZJZKJLLX-NSHDSACASA-N 252.701 1.289 50 50 CDGA C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)Cl 1875378295 YWJTVTGVFJPNHW-VHSXEESVSA-N 293.754 1.529 50 50 CDGA C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1Cl 169744075 XHZUNPLCZJWTBR-SECBINFHSA-N 281.548 1.034 50 50 CDGA CCOC(=O)[C@H](Br)CBr 1690296 OENICUBCLXKLJQ-SCSAIBSYSA-N 259.925 1.708 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(C2CC2)n[nH]1 4950987 RHUYPYMXHNDYSC-VIZOYTHASA-N 286.291 1.462 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cc2c(nc1O)CCC2 1875364712 RJAWEVUHCKTYNT-SSDOTTSWSA-N 254.717 1.519 50 50 CDGA COC[C@@]1(CNC(=O)[C@H](C)Cl)OCCc2ccccc21 1875376110 MPAXDRIWRWOPSP-XHDPSFHLSA-N 297.782 1.845 50 50 CDGA C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(B(O)O)c1 169744521 QFKSWJXYPSPSRQ-SECBINFHSA-N 281.548 1.034 50 50 CDGA Br[C@@H]1[C@H]2[C@H]3[C@H]4[C@H]2[C@@H]2[C@@H]1[C@@H]3[C@@H]4C21OCCO1 254556592 JCNSSYSVLNRDSQ-ZKMCVBIZSA-N 269.138 1.491 50 50 CDGA COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)CCl 1875374954 LMWIQBTWMFMVHT-ZYHUDNBSSA-N 283.755 1.762 50 50 CDGA O=C(CCl)NCc1ccnn1CCc1ccccc1 1875364875 WWMHKYWPGZJDSD-UHFFFAOYSA-N 277.755 1.981 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@H](c2cnn(C)c2)C1 1875380506 QZZXCKXOKDHKDE-ZJUUUORDSA-N 255.749 1.753 50 50 CDGA O=C(N/N=C/c1ccccc1O)[C@@H]1COc2ccccc2O1 291050 GLQLRYSJGABLJV-ZUZCKIMGSA-N 298.298 1.682 50 50 CDGA O=C(/C=C/c1ccccc1)NNC(=O)c1cccnc1 146166 MLLCJIWNMIBVPL-CMDGGOBGSA-N 267.288 1.556 50 50 CDGA C/C(CC(=O)N1CCCC1)=N/NC(=O)Cc1ccccc1 1848443972 ZHGCXYBICFXYGQ-LGMDPLHJSA-N 287.363 1.734 50 50 CDGA CCOC(=O)Cc1csc(NC(=O)CCl)n1 160429 HIQNYVMHIBFTCT-UHFFFAOYSA-N 262.718 1.426 50 50 CDGA in-vitro CCn1c(=O)n(CCCl)c(=O)c2ccccc21 299738216 KGEXYWNRYKEZTE-UHFFFAOYSA-N 252.701 1.422 50 50 CDGA O=C(CCl)NCc1cc2c(nc1O)CCCC2 1335465827 OYAXXPWMXGRKGV-UHFFFAOYSA-N 254.717 1.521 50 50 CDGA COCCc1ccc(OCc2cccc(B(O)O)c2)cc1 169877328 RABCYEGFKLWONK-UHFFFAOYSA-N 286.136 1.134 50 50 CDGA in-vitro N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCOCC1 143852 XFHZTNILALEOOM-KPKJPENVSA-N 286.287 1.181 50 50 CDGA CC(C)c1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)[nH]n1 5093130 ZZKIZFCQXHQXHC-UHFFFAOYSA-N 297.318 1.619 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5081002 UUGWDRPJELZORB-LLVKDONJSA-N 298.277 1.436 50 50 CDGA O=C(NNC(=O)c1ccccc1C(=O)O)Nc1ccccc1 143096 SHYIAKWSMHYXEJ-UHFFFAOYSA-N 299.286 1.851 50 50 CDGA COc1ccc(C)cc1NC(=S)NNC(=O)CC#N 2143502 MREYQFLDLYTFCG-UHFFFAOYSA-N 278.337 1.235 50 50 CDGA O[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430939 USSVIHRJYFGQCJ-RSJOWCBRSA-N 283.599 1.810 50 50 CDGA O=C(N/N=C1/CCc2ncccc21)NC1CCCC1 2325777340 XZAZDDHZCOBGIA-LGMDPLHJSA-N 258.325 1.974 50 50 CDGA N#Cc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 288642 SWUQXYQTLWCTIV-RQZCQDPDSA-N 281.271 1.733 50 50 CDGA O=C(N/N=C/c1coc2ccccc2c1=O)c1cnccn1 5904133 HINPZDGOPSBGFY-CNHKJKLMSA-N 294.270 1.347 50 50 CDGA CCOC(=O)c1sc(NC(=O)CCl)nc1C 543911 GKHLTBQFQWMXBU-UHFFFAOYSA-N 262.718 1.806 50 50 CDGA O=C(N/N=C/c1ccc[nH]1)c1cccc([N+](=O)[O-])c1 288664 FUPAWSGZKUYSQL-RIYZIHGNSA-N 258.237 1.687 50 50 CDGA CCN1Cc2ccccc2[C@H](NC(=O)CCl)C1 1875374259 HPLDJKZFBHMINC-GFCCVEGCSA-N 252.745 1.918 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2ccccn2)C1 276565 PQXJEUPTCVUIJH-UHFFFAOYSA-N 259.309 1.589 50 50 CDGA Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccncc1 516412 HSNUNDZYZNFRMM-UHFFFAOYSA-N 299.330 1.538 50 50 CDGA CC(=O)NNC(=O)Cc1ccc(OCC(C)C)cc1 536165 ZHEVXEMEDDJFPX-UHFFFAOYSA-N 264.325 1.431 50 50 CDGA C[C@@H]1[C@H](O)O[C@H]2OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 390835872 DJGUTYJDEZGRGH-QIQOKXGGSA-N 284.352 1.839 50 50 CDGA biogenic,in-vitro O=C1COCCN1c1ccc(NC[C@@H](O)CCl)cc1 113156802 NPRLIANVFKCHMG-LBPRGKRZSA-N 284.743 1.061 50 50 CDGA O=C(CS(=O)(=O)NCCCl)c1ccccc1 725375470 HWTIOODXTXEUSC-UHFFFAOYSA-N 261.730 1.028 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1ccc(O)c(O)c1 357978 GWVYHPUGEQGQSF-OVCLIPMQSA-N 272.260 1.567 50 50 CDGA in-vitro CN(C(=O)CCl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 1116433699 BXIUFCPPHGGDID-BDAKNGLRSA-N 267.778 1.039 50 50 CDGA CCOC(=O)[C@](C)(CCBr)S(C)(=O)=O 117786012 DRDIKYRQXJWIIX-QMMMGPOBSA-N 287.175 1.138 50 50 CDGA CCOC(=O)/C(C#N)=C\c1ccccc1OCCO 5005505 PNURBIGWTNEECP-XFXZXTDPSA-N 261.277 1.528 50 50 CDGA COc1cccc(/C=N\NC(=O)c2cnccn2)c1OC 13115163 BURIFANWPNGURI-IUXPMGMMSA-N 286.291 1.258 50 50 CDGA C/C(=N\NC(=O)c1ccccn1)c1ccc(O)cc1 18143110 WQKUOSBBLVUWOD-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA CN(C(=O)c1ccc(B(O)O)cc1Cl)C1CCCCC1 169744072 JTVVYIWCRIJYDZ-UHFFFAOYSA-N 295.575 1.425 50 50 CDGA Cc1ccc2nc(C)c(C(=O)NN=C3CCN(C)CC3)n2c1 55459370 ABLIWSYHZXRGEQ-UHFFFAOYSA-N 299.378 1.763 50 50 CDGA COC(=O)[C@H](O)P(=O)(c1ccccc1)c1ccccc1 335224 AOGJPYRFILRTHL-OAHLLOKOSA-N 290.255 1.492 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CCCC[C@]53[C@@H]24 254381804 OCGKLAPJHREOCD-DCOWXMELSA-N 256.301 1.614 50 50 CDGA COc1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1 169745025 ATIJYIUOXDCYTN-UHFFFAOYSA-N 291.112 1.113 50 50 CDGA in-vitro O=S(=O)(NCCCBr)c1ccccc1 5737830 QAKOUYAHYWJVCF-UHFFFAOYSA-N 278.171 1.750 50 50 CDGA COc1cc(/C=C(/C#N)C(=O)O)cc(OC)c1OC 12366847 JFRKQRNPLPJBQG-WTKPLQERSA-N 263.249 1.704 50 50 CDGA CC1(C)CC(=O)C=C(NNC(=O)c2ccncc2)C1 18116886 ZFTSKUDOGVQQTG-UHFFFAOYSA-N 259.309 1.589 50 50 CDGA O=C(CBr)Nc1cccc([N+](=O)[O-])c1 341201 PLJSIGPBSYCQDP-UHFFFAOYSA-N 259.059 1.928 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](C)c1nnc2n1CCCC2 1875377711 LPIBGJSGJHWLGY-YUMQZZPRSA-N 256.737 1.419 50 50 CDGA O=C(NNc1nnc[nH]1)[C@@H]1C[C@@H]1c1c(F)cccc1F 253418713 GNQJCNCEKOCRLY-NKWVEPMBSA-N 279.250 1.330 50 50 CDGA C[C@H](Cl)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1875375973 KYFQAQGFJPWOTO-OOZYFLPDSA-N 253.676 1.544 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 5081003 FQPIMGDYWFCWHR-NSHDSACASA-N 298.277 1.436 50 50 CDGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1cccnc1 6147354 MPNBIVZGDOFBBW-CXUHLZMHSA-N 265.276 1.722 50 50 CDGA CCOc1cc(B(O)O)cc(Cl)c1OC(C)C 169955425 KTZJZSPROBKOSX-UHFFFAOYSA-N 258.510 1.206 50 50 CDGA Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCCO2)c1 199722 UGANQWZDGQKBRI-CYBMUJFWSA-N 292.335 1.009 50 50 CDGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccnc1 36024677 ALLKJPHWHOCYFO-VIZOYTHASA-N 286.247 1.459 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccc2cnn(C)c2c1 1875377903 QTRUZWSCGDPOMM-QMMMGPOBSA-N 251.717 1.817 50 50 CDGA CCN(C)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 408516727 SQIQMJQAURINKN-UHFFFAOYSA-N 291.395 1.697 50 50 CDGA C[C@@H](Cl)C(=O)NCc1cnc(N2CCOCC2)s1 1875366480 NQVJDTCSZZRCEN-MRVPVSSYSA-N 289.788 1.223 50 50 CDGA CCC1(CC)CN(C(=O)[C@H](C)Cl)CCS1(=O)=O 1875378215 XNCZFVRCOHFLGF-VIFPVBQESA-N 281.805 1.430 50 50 CDGA O=C(CCl)NNC(=O)[C@H]1C[C@H]1c1ccccc1 59016 MDZKSIJGAAFPGQ-UWVGGRQHSA-N 252.701 1.176 50 50 CDGA Cc1ccc(S(=O)(=O)NC(=O)CSC#N)cc1 2025763 KNKRIXJWXLKGBL-UHFFFAOYSA-N 270.335 1.014 50 50 CDGA OB(O)c1ccc(-c2noc(-c3ccccc3)n2)cc1 170002338 DSPKKOHBWPYXIW-UHFFFAOYSA-N 266.065 1.083 50 50 CDGA C[C@@H](O)CNS(=O)(=O)c1ccc(CCl)cc1 380853621 AXYUYLHRZGXGTM-MRVPVSSYSA-N 263.746 1.085 50 50 CDGA CC1CCN(CCCOc2ccc(B(O)O)cc2F)CC1 230527728 IECREPCPCURRPV-UHFFFAOYSA-N 295.163 1.006 50 50 CDGA CN(C)/C=C(\C#N)n1cnc(C(F)(F)F)cc1=O 261494779 FZWVRKNPSCHGHF-FNORWQNLSA-N 258.203 1.146 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C 1875380281 KNFCFDULUCOEIN-QXFUBDJGSA-N 260.765 1.423 50 50 CDGA C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)CCl 1875375206 UXZBUQZAICTTBC-VHSXEESVSA-N 280.755 1.708 50 50 CDGA C[C@@H](Cl)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 1875366383 GDHLESDAGKHZBZ-KOLCDFICSA-N 298.774 1.070 50 50 CDGA OB(O)c1cc(Br)cc(N2CCCCC2)c1 169934859 ONPILCAAAIPKEM-UHFFFAOYSA-N 283.962 1.119 50 50 CDGA Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 286982 IKHCRAOMTMPAKO-UHFFFAOYSA-N 255.277 1.465 50 50 CDGA OB(O)c1cc(F)cc(F)c1OCc1ccccc1 169747953 IHFUXROSLRIZDZ-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA O=C1Nc2ccccc2/C1=N/NC(=O)[C@H]1CC12CCC2 15636349 FOWFBELUTDSOFE-SNVBAGLBSA-N 269.304 1.649 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccc(F)c1 18202928 VGBCDNBNPVWSLD-SNVBAGLBSA-N 284.250 1.127 50 50 CDGA NC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 19834063 ILESYWOOTMMWEU-UHFFFAOYSA-N 283.287 1.908 50 50 CDGA COCc1n[nH]c2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 551791 XMMIHGVPRPQJGQ-NSHDSACASA-N 296.330 1.969 50 50 CDGA CCC[C@@H](NC(=O)[C@H](C)Br)C(=O)O 1699068 IHAIHVWQEFQBFU-NTSWFWBYSA-N 252.108 1.139 50 50 CDGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccccc1O 32540522 YYGNLEAKGXYTOQ-OQLLNIDSSA-N 258.281 1.578 50 50 CDGA N#C/C(=C\c1cccc(C(=O)O)c1)C(=O)N=c1cc[nH]cc1 490911052 SLCBOLAUJXFCMI-UKTHLTGXSA-N 293.282 1.747 50 50 CDGA N#CC1=CC=CN2C(=O)C(c3ccccc3)=S=C12 334157880 IVGIWLWXQAJZLU-UHFFFAOYSA-N 252.298 1.890 50 50 CDGA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)CCl 1875378265 YLCBBBNFFNVIAL-SNVBAGLBSA-N 298.774 1.404 50 50 CDGA CCN1CCc2cc(CNC(=O)CCl)ccc21 1875367526 LBBWJIXKMGOIDG-UHFFFAOYSA-N 252.745 1.924 50 50 CDGA CN(C(=O)CCl)[C@H]1CCCC[C@@H]1S(C)(=O)=O 1116433701 BXIUFCPPHGGDID-IUCAKERBSA-N 267.778 1.039 50 50 CDGA O=C(N=c1[nH]onc1-c1ccccn1)[C@H](F)Cl 2325901393 CCZNUBGIGDDCTI-ZETCQYMHSA-N 256.624 1.026 50 50 CDGA O=C(CCl)N1CCC(O)(Cc2cccc(F)c2)CC1 1329863287 UFRDGHCAKQZPEP-UHFFFAOYSA-N 285.746 1.961 50 50 CDGA Cc1cc(C[C@@H]2CCC[C@H]2NC(=O)CCl)n(C)n1 1875366322 ACTXVQCWNHXYSK-CMPLNLGQSA-N 269.776 1.795 50 50 CDGA COC(=O)/C(C#N)=C1/O[C@H](c2cccc(O)c2)CN1C 252509346 YLTRRVBAKIVLDN-OWRWYXLESA-N 274.276 1.303 50 50 CDGA O=C(NNC(=O)c1ncc(C2CC2)o1)c1ccoc1 2325804538 YBFLQJRSKDIEMO-UHFFFAOYSA-N 261.237 1.220 50 50 CDGA Cc1ccc(C)c(OCC(=O)NNC(=O)C2CC2)c1 358743 ZWNAWNJJQXPFBU-UHFFFAOYSA-N 262.309 1.240 50 50 CDGA OB(O)c1ccc([C@@H](c2ccccc2)N2CCCC2)cc1 170002308 LQUWHFOJIGKLIX-QGZVFWFLSA-N 281.164 1.552 50 50 CDGA C[C@H](Br)C(=O)NCc1ccc2c(c1)OCO2 41723593 HHIWRVIQPSDYKG-ZETCQYMHSA-N 286.125 1.815 50 50 CDGA C[C@@H]1[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O2)[C@@H]1O 257356738 JYRSAHCTGWKYOA-CBLPJQPBSA-N 288.460 1.907 50 50 CDGA CN1C(=O)/C(=N/NC(=O)c2ccco2)c2ccccc21 100371387 OABKHWMTAHJLEU-NTCAYCPXSA-N 269.260 1.390 50 50 CDGA NC(=O)N/N=C1/c2ccccc2-c2c(C(N)=O)cccc21 100422529 UICDAVFGTSJZOJ-AQTBWJFISA-N 280.287 1.187 50 50 CDGA Cc1nn(C)c(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1C#N 1875345399 ZGRDNEDTKIXOSU-CHWSQXEVSA-N 295.346 1.847 50 50 CDGA O=C(N/N=C/c1ccccc1O)c1ccccc1O 61928 OMCYEZUIYGPHDJ-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA in-vitro ClCn1nc(Br)nc1Br 217042207 QFGGWLJCZGCBEB-UHFFFAOYSA-N 275.331 1.999 50 50 CDGA CC(=O)OCC1=C(C)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 254772411 VPXMMTSODBQIDG-ZZWKFIDSSA-N 288.299 1.244 50 50 CDGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(O)cc1 95953 DBEYMVMSITWKIG-SXGWCWSVSA-N 286.287 1.957 50 50 CDGA N#C/C(C(=O)N1CCOCC1)=C1/Nc2ccccc2S1 13123440 JPSARGULMUNQAF-JLHYYAGUSA-N 287.344 1.798 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)C1[C@H]2CCCC[C@H]12 100300366 MVKOHWIZOLGASS-UWVGGRQHSA-N 283.331 1.895 50 50 CDGA CCCCOc1cc(B(O)O)cc(C(F)(F)F)c1F 169964677 LAVWNAWXHBDFEW-UHFFFAOYSA-N 280.026 1.703 50 50 CDGA N#CC1=C(N)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 1295001 MXKCTEAOEQNIOY-SNVBAGLBSA-N 272.699 1.640 50 50 CDGA C[C@H](NC(=O)[C@@H](F)Cl)C(=O)N1CCCC[C@H]1C 2325898399 AOXNPUDBBQFSMT-HRDYMLBCSA-N 264.728 1.427 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2cccs2)cc1 112838 JVXFQHZRELYCMM-UHFFFAOYSA-N 276.317 1.832 50 50 CDGA O=C(NNC(=O)c1cccs1)c1coc(C2CC2)n1 1875263156 ONWCVNWGGFKYJD-UHFFFAOYSA-N 277.305 1.688 50 50 CDGA O=C(CCl)NCc1ncccc1-n1cccn1 1875374462 RKAISXPNBWMQJS-UHFFFAOYSA-N 250.689 1.122 50 50 CDGA NNC(=O)c1cc(-c2ccc(Br)cc2)on1 12957216 MKPZSOFCTGFTNF-UHFFFAOYSA-N 282.097 1.708 50 50 CDGA in-vitro O=C(CCl)N1CC[C@@](O)(Cc2ccc(F)cc2)C1 1875386877 BRTAIJHUSBLQTN-CYBMUJFWSA-N 271.719 1.570 50 50 CDGA O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 528986 XGDRDNRTMANXOP-AWEZNQCLSA-N 298.298 1.288 50 50 CDGA CCCCC(=O)N(C)N=C(C(=O)OCC)C(=O)OCC 261507114 FLQRWGKFALAIGB-UHFFFAOYSA-N 286.328 1.117 50 50 CDGA N#C/C(=C\c1ccccc1F)c1nn(CCO)c(N)c1C#N 4460188 LOYNSKGZUPKQAH-YRNVUSSQSA-N 297.293 1.533 50 50 CDGA CC(C)c1nnc([C@H]2CN(C(=O)[C@H](C)Cl)CCO2)o1 1875380027 CIKVSYPSNQLVKT-DTWKUNHWSA-N 287.747 1.720 50 50 CDGA O=C1CC(CC(=O)N/N=C/c2cccc3ccccc23)=NN1 102302354 WSJKWZIYUMRPSF-LICLKQGHSA-N 294.314 1.556 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1nc(N(C)C)no1 1875377431 DLYRHIWFVKRRLI-HTQZYQBOSA-N 272.736 1.426 50 50 CDGA COCC(=O)N1CCc2c(NC(=O)CCl)cccc21 1875374880 IHARDZWLTUHIIO-UHFFFAOYSA-N 282.727 1.399 50 50 CDGA CCC(CC)=NNC(=O)C(=O)NCc1ccccc1 5008719 ZBYXYMCATPUSDT-UHFFFAOYSA-N 261.325 1.595 50 50 CDGA O=C(CN1CCSCC1)N/N=C/c1ccc(F)c(F)c1 13112058 PXNXQZJBKMOTNK-LZYBPNLTSA-N 299.346 1.464 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O 1875375397 BBSROSRWUDARSK-VGMNWLOBSA-N 299.758 1.494 50 50 CDGA O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169745035 NLSXASIDNWDYMI-UHFFFAOYSA-N 276.411 1.646 50 50 CDGA in-vitro O=C(NNc1ncccn1)c1cc2c(o1)CCCC2 1123493109 ZZGOZUDPYACYKC-UHFFFAOYSA-N 258.281 1.705 50 50 CDGA C=C[C@@H]1C[C@@H](I)[C@@H]2OC(=O)C[C@H]12 43762121 UFYRERIQPWLXHA-JXOAFFINSA-N 278.089 1.928 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1cnc2c(Cl)cnn2c1 1875375559 DNXLBGLPXDJBPC-SSDOTTSWSA-N 287.150 1.669 50 50 CDGA CC1=CCC2(CC1)COC(C)(CC(=O)NN)OC2 341655 BZPRQRUMWLBLCD-UHFFFAOYSA-N 254.330 1.246 50 50 CDGA CC[C@@H](Oc1ccc(Br)cc1)C(=O)NN 440811 MUXZUNBGOJKQCR-SECBINFHSA-N 273.130 1.596 50 50 CDGA Br[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@H]2[C@H]3[C@H]4C12OCCO2 254556590 JCNSSYSVLNRDSQ-IMNXEBDKSA-N 269.138 1.491 50 50 CDGA COc1ccc(C(=O)CBr)c(O)c1OC 196682935 BLODFNLYTIPCTQ-UHFFFAOYSA-N 275.098 1.987 50 50 CDGA NNC(=O)CCC(=O)Nc1ccc(Br)cc1 6221698 BEWJAMLNVKMYNR-UHFFFAOYSA-N 286.129 1.158 50 50 CDGA C[C@@H](Cl)C(=O)NCc1ccnc(N2CCC[C@@H](O)C2)c1 1875377619 IWAQQQNTWILARV-ZYHUDNBSSA-N 297.786 1.286 50 50 CDGA N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(N)=O 160196 MEIGOGSKIWSGEW-CLTKARDFSA-N 251.629 1.640 50 50 CDGA OB(O)c1cc(F)ccc1OCc1ccccc1F 169922572 HFJLFDJFAAAQCV-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA O=C(CCl)NCCc1ccn(-c2ccc(F)cc2)n1 1116437553 HDWAPTMWTHXKLQ-UHFFFAOYSA-N 281.718 1.909 50 50 CDGA CC(C)(C(=O)NNC(=O)c1cccs1)c1cnco1 2325805072 NMHCJOKHWBNUEQ-UHFFFAOYSA-N 279.321 1.475 50 50 CDGA C=C(C)CNC(=S)NNC(=O)COc1cccc(C)c1 3071122 YYPSVQHRCDDFOT-UHFFFAOYSA-N 293.392 1.445 50 50 CDGA COC(=O)[C@@H]1[C@@H]2C[C@@H](Br)[C@@H]1CC21OCCO1 257357652 PEARVLKVUHDRMM-MAUMQABQSA-N 291.141 1.322 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@@H]1CCCc2c1cnn2C 1875377969 SJJPAXPXCLGMEG-WCBMZHEXSA-N 255.749 1.883 50 50 CDGA Cc1ccc([C@@H]2CS(=O)(=O)CCN2C(=O)CCl)o1 1875368864 BEDAZKYQDLNMHS-VIFPVBQESA-N 291.756 1.125 50 50 CDGA C[C@@H]1[C@H](Cl)[C@@H]1CN1CC(=O)N[C@H]2CCCC[C@H]21 891850205 OQXJJHCEQGVFMA-UGCHFJIKSA-N 256.777 1.603 50 50 CDGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)o1 5125965 LPBLQFLPCJJWIK-NSHDSACASA-N 256.265 1.838 50 50 CDGA O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccnc1 4473836 SGWMVWXSVVGWKZ-UHFFFAOYSA-N 299.252 1.885 50 50 CDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1 4283149 KNAMZCHGUNDBMH-YBFXNURJSA-N 295.342 1.875 50 50 CDGA CCc1n[nH]c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 6197585 RYEGTMJIWLVIJY-LBPRGKRZSA-N 282.303 1.896 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 1875366463 LNAJBVITHDJLGY-VDTYLAMSSA-N 269.654 1.767 50 50 CDGA C[C@H](Cl)C(=O)NCCN1C[C@H]2CCCCN2C1=O 1875366517 RBBFGFBFBQPNKR-VHSXEESVSA-N 273.764 1.020 50 50 CDGA C[C@H](Cl)C(=O)NC[C@H](c1ccccc1)c1nc[nH]n1 1875376503 ZDKLCCUZKVCUNF-GXSJLCMTSA-N 278.743 1.680 50 50 CDGA O=C(N/N=C\c1ccccn1)c1n[nH]c2c1CCC2 5033328 CRRNSFWAIXRIMZ-NVNXTCNLSA-N 255.281 1.057 50 50 CDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2)c1 2566505 AVZGWSCQNDNKCU-GZTJUZNOSA-N 297.314 1.784 50 50 CDGA O=C(NNC(=O)c1ccccc1F)c1ccccc1 1702530 XQCRQNWDMREABQ-UHFFFAOYSA-N 258.252 1.901 50 50 CDGA O=C1OCCCN1CC[P@@](=O)(Cl)N1CCOC1=O 101010335 NJCRVKARVHTSKK-GOSISDBHSA-N 296.647 1.713 50 50 CDGA CN(CC(=O)Nc1cccc(Cl)c1)C(=O)CCl 536962076 SGTINGVBUMRFHY-UHFFFAOYSA-N 275.135 1.976 50 50 CDGA COc1cc(/C=N/NC(=O)CC[C@@H](C)O)ccc1O 3105752 HYXAJALOTXIRBF-MBBDXHFBSA-N 266.297 1.012 50 50 CDGA C/C(=N\NC(=O)c1ccc(O)cc1O)c1cccnc1 5010149 RFKYZRQYDXRWIS-CXUHLZMHSA-N 271.276 1.647 50 50 CDGA O=C(CCl)NCC[C@@H]1CN(Cc2ccccc2)CCO1 311660801 GFPSIJMAXOVCID-CQSZACIVSA-N 296.798 1.633 50 50 CDGA N#CC1=C(N)O[C@@H](C(Cl)(Cl)Cl)C1(C#N)C#N 107823 MFUNLHIYTKWUNU-ZCFIWIBFSA-N 277.498 1.483 50 50 CDGA CCCCC[S@@+](=O)(O)CCSS(=O)(=O)O 334157976 DDNQPIFGAALECI-UHFFFAOYSA-O 277.409 1.685 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 46955 BNOSNEZBWKCDQX-LICLKQGHSA-N 283.287 1.632 50 50 CDGA CCCCN(CCCC)Cc1ccc(B(O)O)cc1 203194426 HBRVGSGICCHYJW-UHFFFAOYSA-N 263.190 1.769 50 50 CDGA Cn1cnnc1-c1cncc(NC(=O)[C@H](F)Cl)c1 2325898625 OITVGHIYBWQUFQ-QMMMGPOBSA-N 269.667 1.350 50 50 CDGA C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccco1 4898615 QBPGGZWTCJEOMP-LERPTODRSA-N 258.277 1.853 50 50 CDGA COc1ccc(CNC(=O)CBr)cc1 35605326 GHUHVSDGEXCCKY-UHFFFAOYSA-N 258.115 1.706 50 50 CDGA Cc1cccc(OCC(=O)N/N=C/c2ccncc2)c1 433264 RKNANYPAZXGESJ-LICLKQGHSA-N 269.304 1.919 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1875367260 JKBPIOLBVRVMCS-SKDRFNHKSA-N 271.748 1.169 50 50 CDGA COCCCOc1cc(B(O)O)cc(Cl)c1Cl 170017083 BCRJDQDEFCHIHH-UHFFFAOYSA-N 278.928 1.089 50 50 CDGA Cc1ccc(-c2nc(-c3ccc(B(O)O)cc3)no2)cc1 170002346 ZNHJXWQRCHMCKJ-UHFFFAOYSA-N 280.092 1.392 50 50 CDGA Cc1csc(CO[C@@H]2CCN(C(=O)CCl)C2)n1 1875370683 ZAONEYQHIUCNLC-SECBINFHSA-N 274.773 1.808 50 50 CDGA CO[Si](C)(C)c1ccc([Si](C)(C)OC)cc1 169744946 VQECZZRUEDMVCU-UHFFFAOYSA-N 254.478 1.804 50 50 CDGA in-vitro Cc1oc(NC(=O)[C@@H](F)Cl)c(S(C)(=O)=O)c1C 2325901547 KFWDFGJCNAJQON-SSDOTTSWSA-N 283.708 1.773 50 50 CDGA COc1ccc(/C(C)=N/NC(=O)c2cnccn2)cc1 4531257 ZSJWLFUUKJCJTB-LICLKQGHSA-N 270.292 1.639 50 50 CDGA CC(C)(C)CN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 1857786400 NMHVAHHYKGXBMY-VIFPVBQESA-N 281.805 1.287 50 50 CDGA CC(=O)[C@]1(O)C(=O)Cc2ccccc2N1CCCl 335874 VYGYDEAABFRCJA-ZDUSSCGKSA-N 267.712 1.135 50 50 CDGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 244724511 MVKOHWIZOLGASS-IWIIMEHWSA-N 283.331 1.895 50 50 CDGA O=C(CCl)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1875375105 RDSWOQDBCBMWSF-DGCLKSJQSA-N 271.719 1.552 50 50 CDGA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@@H](C)Cl 585115135 NWHSFQGTKQGXGW-MUWHJKNJSA-N 280.777 1.727 50 50 CDGA COc1ccc(OC)c(Nc2nc(N)nc(CCl)n2)c1 16956946 LRMITMUUQVAMMW-UHFFFAOYSA-N 295.730 1.953 50 50 CDGA CC(=O)N[C@@H]1C(=O)N(CCBr)c2ccccc21 121171 YKVWMQQFMVTYNZ-NSHDSACASA-N 297.152 1.605 50 50 CDGA Cc1occc1C(=O)NNC(=O)c1cccc(F)c1 256100 WLCCQLIBARAODM-UHFFFAOYSA-N 262.240 1.802 50 50 CDGA Cc1ccccc1CC(=O)NNC(=O)c1ccccc1 7517195 FDXPBRPLVHMHOU-UHFFFAOYSA-N 268.316 1.999 50 50 CDGA Cc1cccc2c(B(O)O)cc(C(F)(F)F)nc12 170002070 PYFONIBGRHXVSO-UHFFFAOYSA-N 255.004 1.242 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1CCc2sccc2C1=O 1875378161 WPOQYNDFTMFQPL-POYBYMJQSA-N 257.742 1.989 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1 273110 CCCOIIPPDUTXBS-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA O=C(O[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccccc1 1276012 SZDZBVCLTQMPQC-UWVGGRQHSA-N 274.725 1.248 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/C=C/c1ccccc1 100507350 ROTIJYKTILTUKC-BGDNOTFFSA-N 298.346 1.704 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)ccc1F 217044900 LUFMZXRMRCSXMS-UHFFFAOYSA-N 270.185 1.890 50 50 CDGA O=C(CCl)NC[C@@H]1OCCc2sc(F)cc21 1875378114 VUELTMAHYOAOKS-ZETCQYMHSA-N 263.721 1.856 50 50 CDGA COc1cccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1OC 263799 SAYNSSGIQVJELO-OVCLIPMQSA-N 288.307 1.499 50 50 CDGA O=C(N/N=C/c1ccncc1)[C@@H](O)c1ccccc1 438485 AJSAVEBOMOLRGP-RKPNYOAGSA-N 255.277 1.265 50 50 CDGA CC[Si](CC)(CC)O[C@@H](CO)CC(=O)N(C)OC 169834446 RQCKPDXENPVWSZ-LLVKDONJSA-N 277.437 1.779 50 50 CDGA O/N=C1\[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5Br)[C@H]42 245237092 FLIVZDHPXLXDIL-MNDAPCKQSA-N 254.127 1.968 50 50 CDGA O=C(CCl)N[C@H]1CC[C@H](Oc2cnccn2)CC1 238878701 OSDACDNZJQCKEM-MGCOHNPYSA-N 269.732 1.522 50 50 CDGA COc1ccc([C@H](C#N)NC(=O)CCl)c(OC)c1 1875255282 WIOWYIRFTIBJCR-JTQLQIEISA-N 268.700 1.623 50 50 CDGA CC(C)(NC(=O)CCl)c1cn(-c2ccccc2)nn1 1319674040 AWPUGMQZRLPNQD-UHFFFAOYSA-N 278.743 1.857 50 50 CDGA O=C(Nc1ccc(F)cc1)c1cc(B(O)O)ccc1Cl 169744128 FUKODQRCJODOIG-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA N#CC(N)=C(C#N)NC(=O)Nc1ccc(Cl)cc1 2042435956 JFUPPGJOKIIZBR-UHFFFAOYSA-N 261.672 1.679 50 50 CDGA O=C(CN1CCCCC1)N/N=C/c1cccs1 233643 UYOTXBNGWBPDRW-UKTHLTGXSA-N 251.355 1.684 50 50 CDGA CC[C@H]1[C@@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000811 XOZDECPIZZEJAZ-KGLIPLIRSA-N 295.346 1.201 50 50 CDGA CC(C)(C)OC(=O)CNNC(=O)NCc1ccccc1 146372616 AONKZBLHBDDZIP-UHFFFAOYSA-N 279.340 1.332 50 50 CDGA CC(C)[C@H](NC[C@@H]1[C@H](C)[C@H]1Cl)c1nncn1C 585136373 CNLTYGNSFQNXTK-ZDCRXTMVSA-N 256.781 1.975 50 50 CDGA Cc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 63246 OJKUPDWCPGUCPF-UHFFFAOYSA-N 268.316 1.999 50 50 CDGA CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Cl)C[C@]1(C)C(F)F 1875368571 AUVGZDQKCNZUFG-UBJUHAIHSA-N 297.729 1.907 50 50 CDGA C[C@H]1[C@@H](NC(=O)CCl)CC(=O)N1Cc1ccccc1 1875375313 YURYSHMDHRQWEW-JQWIXIFHSA-N 280.755 1.531 50 50 CDGA O=C(CCl)N1CC(c2ccnc(-c3ncccn3)n2)C1 1875374848 HDDWLQQLSMAAAL-UHFFFAOYSA-N 289.726 1.098 50 50 CDGA CCCCCCOc1ccc(C(=O)NN)c(O)c1 5418193 GSMWGMVIICXQJS-UHFFFAOYSA-N 252.314 1.955 50 50 CDGA C=CCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1 5613139 AOILRIIVBMDLDT-VCHYOVAHSA-N 282.303 1.805 50 50 CDGA CC1=C(C(=O)NNc2c(C#N)c(C)nn2C)CCC1 1875345017 SHNWOIFGMKWTAO-UHFFFAOYSA-N 259.313 1.544 50 50 CDGA O=C(CCl)N[C@H]1CCN(C(=O)c2ccccc2)C1 1875364313 NONOVERBSYYESM-NSHDSACASA-N 266.728 1.256 50 50 CDGA OB(O)c1ccc(OCc2cccc(Cl)c2)cc1F 203557153 SYHMIJQQCCYSCF-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA OB(O)c1cc(F)ccc1OCc1cccc(F)c1 169922556 LJXTUAJFEOPZEL-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA O=C(Cl)OCCOCCOCCOC(=O)Cl 2539410 IFOIGJKHVZBFPR-UHFFFAOYSA-N 275.084 1.770 50 50 CDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cccnc1 441119 DNJYTUKQRHCZKD-UHFFFAOYSA-N 289.722 1.739 50 50 CDGA CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NN 2041900 AJKTZAFFMAFJJR-GFCCVEGCSA-N 279.340 1.317 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)[C@H]1CC12CCC2 22204616 HRJBSVJVBMYFRS-OXFWXOROSA-N 260.293 1.738 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1 169743410 RDQWADDNQONTLB-UHFFFAOYSA-N 252.195 1.750 50 50 CDGA in-vitro O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCO1 15659466 FAUCWCYEOIOZCC-LLVKDONJSA-N 282.727 1.209 50 50 CDGA O=C(NNC(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1)c1ccco1 2325807618 HKAMZWSCQJMMLA-BKUVIOGVSA-N 292.335 1.228 50 50 CDGA Cc1cc2c(c(=O)o1)[C@@H](c1ccoc1)C(C#N)=C(N)O2 207944 DLMPWSSKSIJITE-NSHDSACASA-N 270.244 1.759 50 50 CDGA OB(O)c1ccccc1OCc1ccc(Cl)cc1 169922434 GTXHQJDYRUVIEN-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro CCOC(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 5027596 MQNDCNQQSYZKJB-UHFFFAOYSA-N 266.219 1.807 50 50 CDGA CCCCOc1ccc(Br)c(B(O)O)c1F 169903705 FMTVZGMUUYBHRB-UHFFFAOYSA-N 290.925 1.447 50 50 CDGA C[C@H](NC(=O)[C@H](F)Cl)C(=O)N1CCCC[C@H]1C 2325898400 AOXNPUDBBQFSMT-VGMNWLOBSA-N 264.728 1.427 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 290801 UNZSJPQQAXWHGN-UHFFFAOYSA-N 270.288 1.770 50 50 CDGA NNC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 23115367 AMGHTLYTMGRZLS-LLVKDONJSA-N 251.305 1.028 50 50 CDGA C[C@@H](NC(=O)CCl)c1noc(C(F)(F)F)n1 1875375321 ZMHKWBLURLSLEF-GSVOUGTGSA-N 257.599 1.504 50 50 CDGA C[C@H](Cl)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1 1875363888 CTYRAIVCEVKGKG-NSHDSACASA-N 289.851 1.535 50 50 CDGA Cc1nn(C)c(NNC(=O)CCc2ccccc2)c1C#N 1875345014 SDODUEJMWYJGBT-UHFFFAOYSA-N 283.335 1.676 50 50 CDGA O=C(CCl)N(Cc1ccc(-n2cncn2)cc1)C1CC1 1875377537 GPHGSQANJMVYPJ-UHFFFAOYSA-N 290.754 1.997 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1)c1ccccc1O 243847 QARCGYPQQSPAFJ-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(F)cc1 3155916 AZYYQIWJRCTFDQ-OVCLIPMQSA-N 275.239 1.508 50 50 CDGA CN(C(=O)CCl)[C@@H]1CCCC[C@H]1S(C)(=O)=O 1116433702 BXIUFCPPHGGDID-RKDXNWHRSA-N 267.778 1.039 50 50 CDGA O=C(N/N=C1/CN2CCC1CC2)c1cccc(O)c1 4737808 UCZUIQCBJLHVBV-SQFISAMPSA-N 259.309 1.204 50 50 CDGA COCc1nc([C@@H]2CCCCCN2C(=O)CCl)no1 1875378147 WJMGLGDQJHXJME-VIFPVBQESA-N 287.747 1.899 50 50 CDGA O=C(CCl)NC[C@H]1CSCCN1Cc1ccccc1 1875374839 GXBIHIFUFWOUHZ-ZDUSSCGKSA-N 298.839 1.959 50 50 CDGA CCOC(=O)C[C@H](F)CI 96028539 WUUBUKVGTSSUEO-YFKPBYRVSA-N 260.046 1.713 50 50 CDGA O=C(CCl)NC[C@@H]1CCCN(c2ncccn2)C1 1875377917 RFYJESWFGZJTGZ-JTQLQIEISA-N 268.748 1.048 50 50 CDGA C[C@H](Cl)C(=O)N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 1875379968 ASDIRSJDMYTPSX-FYLLDIAZSA-N 261.749 1.409 50 50 CDGA Cn1cc(CNC(=O)CCl)c(-c2ccc(C#N)cc2)n1 1875374821 GIMLRWNIJTUHHA-UHFFFAOYSA-N 288.738 1.814 50 50 CDGA CCSC(=S)NNC(=O)Cc1ccccc1 226864842 WRIWFICPGPXSHN-UHFFFAOYSA-N 254.380 1.888 50 50 CDGA CC1CCN(c2ccc(C(F)(F)F)cc2B(O)O)CC1 230526414 QXKDLVFNHRWGHY-UHFFFAOYSA-N 287.090 1.622 50 50 CDGA O=C(CCl)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 1875378103 VTBWBTSFLIMNBW-AAEUAGOBSA-N 271.719 1.647 50 50 CDGA CCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1 228513 KOTKDJOURXJMQZ-RQZCQDPDSA-N 270.292 1.639 50 50 CDGA Cc1ccc(C)c(NC(=O)c2cccc(B(O)O)c2F)c1 169744556 IZWTVAUIRJHWBN-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1 4355396 WQCTXLILGDZPHS-LICLKQGHSA-N 298.302 1.179 50 50 CDGA CCOC(=O)NNC(=O)Nc1cc(C)ccc1OC 2172841 OJJWXMLWYYBMRK-UHFFFAOYSA-N 267.285 1.786 50 50 CDGA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NNc1ccccc1 1383681 PNTZFQUBRFJEGF-VXGBXAGGSA-N 260.293 1.797 50 50 CDGA COC(=O)[C@H]1CCC(C=O)=CN1C(=O)OC(C)(C)C 950757575 WKOFRWBSSNQTAW-SNVBAGLBSA-N 269.297 1.642 50 50 CDGA C[C@H](Cl)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 1875364154 FVDPUDDHQNKPAP-ZETCQYMHSA-N 290.688 1.658 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)cc1 169747748 NVHHEADQQACSCJ-UHFFFAOYSA-N 252.195 1.750 50 50 CDGA in-vitro Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1nonc1N 275812 YGEXHIAHXIGCGD-GIDUJCDVSA-N 284.279 1.205 50 50 CDGA C/C(=N\NC(=O)c1ccncc1)c1ccc(N)cc1 12343264 BLINGJUSNNLPEX-LICLKQGHSA-N 254.293 1.818 50 50 CDGA COC(=O)CN1C(=O)C(=C(C#N)C#N)c2ccccc21 83969 YVMZNBMTQSGFNM-UHFFFAOYSA-N 267.244 1.007 50 50 CDGA O=C1OCCN1P(=O)(Cl)N1CCOC1=O 59699266 KLDLRDSRCMJKGM-UHFFFAOYSA-N 254.566 1.238 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc2[nH]cnc2c1 520153 WJKHUALDDDALPT-CNHKJKLMSA-N 296.286 1.738 50 50 CDGA C[S@](=O)C[C@@H](NC(=O)[C@@H](F)Cl)C(C)(C)C 2325820683 DVKKILPPNWZVMZ-YRRYFFEDSA-N 257.758 1.430 50 50 CDGA Cc1cccc(C(=O)NNC(=O)c2ccc3c(n2)CCC3)n1 2325767677 VTZZFEOIRFISCE-UHFFFAOYSA-N 296.330 1.349 50 50 CDGA Cc1cccc(C(=O)NNC(=O)N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)n1 2325784541 QVCLERYHNGNPFK-ZPFDUUQYSA-N 286.335 1.085 50 50 CDGA N#CC1=C(N)N=C(N2CCCCC2)NC12CCCCC2 101691834 NTCVTIYEBTUQCR-UHFFFAOYSA-N 273.384 1.828 50 50 CDGA O=C(NNc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 1383680 PNTZFQUBRFJEGF-NWDGAFQWSA-N 260.293 1.797 50 50 CDGA CCCCNC(=O)OCCI 71771187 NHHZIQKNRBBLET-UHFFFAOYSA-N 271.098 1.948 50 50 CDGA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)CCl 1352071979 HFTZYCUFKHUUSP-LLVKDONJSA-N 282.727 1.709 50 50 CDGA Cn1cc(C(=O)NNc2cccc(Cl)c2)ccc1=O 194532822 LJYGWKOJBWQKRR-UHFFFAOYSA-N 277.711 1.796 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 18285605 HSKABAANHZJCGO-LGMDPLHJSA-N 280.287 1.192 50 50 CDGA CC(C)Oc1ccc(Br)c(B(O)O)c1F 169748142 JIDCDBHYZFYNSO-UHFFFAOYSA-N 276.898 1.055 50 50 CDGA CC(C)COC[C@@H](O)C[C@H](Cc1ccccc1)C(=O)NN 2273347 SKRPZVHBBNAYNT-GJZGRUSLSA-N 294.395 1.259 50 50 CDGA NC(=O)N/N=C1\[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 257346622 WLDWXNQDVDIUJY-HASVVSQYSA-N 296.168 1.162 50 50 CDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 71116 ICBVILGCZXVNDT-CYBMUJFWSA-N 267.288 1.896 50 50 CDGA COC(=O)[C@H](Cc1ccccc1)NC(=O)CCl 10021471 WXAFKBZLGNLNJT-JTQLQIEISA-N 255.701 1.126 50 50 CDGA CN(C)c1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 73556 YLKKAHUYUNJFBZ-SFQUDFHCSA-N 284.363 1.784 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccn1 437197 YCWVJLKDVRFHHU-NTUHNPAUSA-N 260.209 1.347 50 50 CDGA CCCCNC(=S)NNC(=O)c1ccccc1 5309232 AOUKJASADDCREL-UHFFFAOYSA-N 251.355 1.596 50 50 CDGA COC(CBr)(CBr)OC 2510129 CPAHOXOBYHMHDT-UHFFFAOYSA-N 261.941 1.765 50 50 CDGA in-vitro C[C@@H]1CCc2[nH]c3c(C(=O)NNC=O)cccc3c2C1 239762197 CLIDPRONAFLLQU-SECBINFHSA-N 271.320 1.684 50 50 CDGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN)CC1 95743364 QMPOWYLAZSUMOR-SECBINFHSA-N 257.334 1.014 50 50 CDGA C[C@@H](Cl)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 1875364293 NKHKJSZPMFRUKG-APPZFPTMSA-N 272.757 1.375 50 50 CDGA O=C(CCl)NNC(=O)c1c(F)cccc1Cl 1875374890 INNGEBIPPZGCTF-UHFFFAOYSA-N 265.071 1.479 50 50 CDGA OB(O)c1ccccc1COc1cccc(C(F)(F)F)c1 169904079 YCLVPNCQCUGEIR-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA in-vitro O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccn1 354717 IVQHVECRAQLYHC-OVCLIPMQSA-N 286.247 1.459 50 50 CDGA O/N=C1\[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 245237093 FLIVZDHPXLXDIL-NALSOMBISA-N 254.127 1.968 50 50 CDGA CCOC(=O)C1CCN(C(=O)CBr)CC1 35605336 KJOUBCZYBMZWNO-UHFFFAOYSA-N 278.146 1.183 50 50 CDGA in-vitro O=S(=O)(CCBr)CCBr 1736645 JASUZIAETLGSCB-UHFFFAOYSA-N 279.981 1.191 50 50 CDGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)NN 34925102 GGEQGXDOAJCERU-UHFFFAOYSA-N 255.705 1.357 50 50 CDGA c1ccc(SC[Si]23OCCN(CCO2)CCO3)cc1 195766280 LSJXKFSLWMJTBJ-UHFFFAOYSA-N 297.452 1.636 50 50 CDGA COc1cc(/C=C(\C#N)C(=O)NC(C)C)sn1 585136069 OSSRAGCHJDZOMV-XBXARRHUSA-N 251.311 1.583 50 50 CDGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1 3008718 YLJQRENTTHMVNM-LICLKQGHSA-N 285.278 1.915 50 50 CDGA O=C([C@@H]1CSCN1C(=O)CCl)N1CCCCC1 1875363832 BGCPDCSOZYCHLJ-VIFPVBQESA-N 276.789 1.139 50 50 CDGA NC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2520029 RMXQZFYPFIGFDU-OVCLIPMQSA-N 289.316 1.970 50 50 CDGA N#Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1 59218 YPFUELDHLRTWOK-RQZCQDPDSA-N 250.261 1.717 50 50 CDGA O=C(CCl)NC1CCN(C(=O)c2ccco2)CC1 169891350 GBOVIAGQKUSXIW-UHFFFAOYSA-N 270.716 1.239 50 50 CDGA Cc1nn(C)c(C)c1S(=O)(=O)NCC(Cl)Cl 583650841 AEFOIJCBPUKWOE-UHFFFAOYSA-N 286.184 1.119 50 50 CDGA Cc1nc(N)sc1C(=O)N/N=C/c1ccc(O)cc1 118947 DELZKZQAJQUQJG-MKMNVTDBSA-N 276.321 1.503 50 50 CDGA COC(=O)c1nnn(-c2ccccc2)c1CBr 2144630 VNJRBOXRQLZOKG-UHFFFAOYSA-N 296.124 1.949 50 50 CDGA O=C(CCl)N[C@@H]1CCCS(=O)(=O)c2ccccc21 1875389753 OKWOIHBNUKFXPC-SNVBAGLBSA-N 287.768 1.650 50 50 CDGA N#C/C(=C\c1ccc(Br)s1)C(N)=O 256289 QKJHCHZYOGNDGZ-HWKANZROSA-N 257.112 1.903 50 50 CDGA Cc1ccc(C(=O)Nc2cccc(C(=O)NN)c2)cc1 422544 VKHOIZFLOYWAOA-UHFFFAOYSA-N 269.304 1.851 50 50 CDGA O=C(NNC(=O)[C@H]1CCCO1)c1ccccc1Cl 1212232 IZZMTICIQYLLMZ-SNVBAGLBSA-N 268.700 1.280 50 50 CDGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1 2566408 NZHMPSOJKQJSRZ-LFIBNONCSA-N 267.288 1.775 50 50 CDGA C[C@H](Cl)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 1875377835 OWTQIPIPOORJJW-WDEREUQCSA-N 298.770 1.740 50 50 CDGA OB(O)c1c(OCc2ccccc2)ccc(F)c1F 169901922 SLVNSQQTZBWDTP-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro COc1cccc(NC(=O)C(=O)N/N=C/c2ccco2)c1 4335638 QWVSRLMFVHDQIQ-OQLLNIDSSA-N 287.275 1.377 50 50 CDGA Cc1c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cnn1C 372043 TVSOJYDNJMVHQS-CYBMUJFWSA-N 284.319 1.543 50 50 CDGA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN 1634138 AJKTZAFFMAFJJR-LBPRGKRZSA-N 279.340 1.317 50 50 CDGA O=C(O)[C@@H]1[C@@H]2C(=O)O[C@@H]3[C@@H](Br)[C@H]1C1(CC1)[C@H]32 239231173 VBPDRWSGPODPHD-NHTNQACOSA-N 287.109 1.032 50 50 CDGA CN1CCN(CCNC(=O)CCl)[C@H](c2ccccc2)C1 1875362969 JQRRPCMDCNNHQL-AWEZNQCLSA-N 295.814 1.330 50 50 CDGA Cc1occc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 40274 IHFHYWFUHCPLBG-WUXMJOGZSA-N 263.209 1.853 50 50 CDGA C/C(=N\NC(=O)c1ccccn1)c1ccccc1O 13943773 IEIQXZWRDNRPGU-MHWRWJLKSA-N 255.277 1.941 50 50 CDGA Cc1nn(C)c(NS(=O)(=O)CBr)c1C 328594311 AAEKHQJIAUCDPM-UHFFFAOYSA-N 282.163 1.131 50 50 CDGA CN1CCN(c2ccc(C=C(C#N)C#N)cc2)CC1 83251969 FVHVBUBHTCVYEU-UHFFFAOYSA-N 252.321 1.869 50 50 CDGA Cc1ccc(F)cc1S(=O)(=O)NCCCl 5754029 HKWAWLPRMWNGHR-UHFFFAOYSA-N 251.710 1.651 50 50 CDGA CN(C)c1ccc(/C=N\NC(=O)c2ccc(O)nn2)cc1 32614424 JBWKXFXMQCEARD-DHDCSXOGSA-N 285.307 1.012 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]2(CCCO2)[C@@]12CCCO2 257357711 PMWXIFKDHCXLAT-RSUATGCGSA-N 290.315 1.216 50 50 CDGA Cc1ccoc1C(=O)NCCCNC(=O)[C@H](C)Cl 1875364228 KQWIYGCQCLASGE-VIFPVBQESA-N 272.732 1.451 50 50 CDGA O=C(CCl)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 1875375104 RDSWOQDBCBMWSF-AAEUAGOBSA-N 271.719 1.552 50 50 CDGA CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 18325357 WFJUUDMDLVFLAO-LGMDPLHJSA-N 280.287 1.192 50 50 CDGA CC#CC[C@H](CO)N(Cc1ccc(C)o1)C(=O)CCl 1875382689 MDNRJJAODJTPAM-GFCCVEGCSA-N 283.755 1.930 50 50 CDGA OB(O)c1ccc(COc2ccc(Cl)cc2)cc1 169926326 VUAUMKIABBONKG-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro Cn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O 2896837 DAPOYUPJCRBBNE-NSYQEJESSA-N 281.315 1.814 50 50 CDGA OB(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 170002540 GJRCFNUBCUMANE-UHFFFAOYSA-N 256.154 1.834 50 50 CDGA Cc1nn(C)c(NNC(=O)[C@H]2C[C@H]2c2ccccc2)c1C#N 1875345402 ZGRDNEDTKIXOSU-STQMWFEESA-N 295.346 1.847 50 50 CDGA CCN(C)C(=O)c1cccc(NC(=O)CCl)c1 1875377803 NWSBXQMRCDOCHO-UHFFFAOYSA-N 254.717 1.956 50 50 CDGA COc1ccc(B(O)O)cc1C12CC3CC(CC(C3)C1)C2 169745115 FPZOBRFHRPQGAA-UHFFFAOYSA-N 286.180 1.843 50 50 CDGA in-vitro O=C(N/N=C\c1ccco1)c1n[nH]c2c1CCCC2 4855082 CYXUUKRWLUFZPB-ZSOIEALJSA-N 258.281 1.645 50 50 CDGA O=C(NNC(=O)c1cccs1)c1cccs1 138915 FBOFFEXPCHQWDX-UHFFFAOYSA-N 252.320 1.884 50 50 CDGA COc1cccc(-c2c(Cl)cccc2OC)c1B(O)O 216700573 LKTFQTFAMQVFRL-UHFFFAOYSA-N 292.527 1.704 50 50 CDGA O=C(CN1CCOCC1)N/N=C/c1cccc2ccccc12 19534866 RAMCIAMKCIOPKA-LDADJPATSA-N 297.358 1.622 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1cccc(O)c1 4889414 DQLVHALRJQSOQT-XNTDXEJSSA-N 257.293 1.424 50 50 CDGA Cc1nnsc1C(=O)N/N=C/c1ccc(F)cc1 5792589 YYFBNCVLHZAZCL-AWNIVKPZSA-N 264.285 1.750 50 50 CDGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc2c(c1)OCO2 49757 ODUCLVRKXPWZOR-UHFFFAOYSA-N 298.327 1.633 50 50 CDGA CC(C)c1ccc(NC(=O)c2ccc(B(O)O)cc2)cc1 1540430946 INNOUHJWXUHJED-UHFFFAOYSA-N 283.136 1.742 50 50 CDGA COC(=O)N(C)NC(=O)Nc1ccc(C(C)=O)cc1 239782434 CONPPOZPWNBNNU-UHFFFAOYSA-N 265.269 1.624 50 50 CDGA CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@H](C)Cl)C1(C)C 1875376219 PGLGQILWVVMOTI-KBVBSXBZSA-N 263.765 1.296 50 50 CDGA O=C(Nc1ccc(B(O)O)c(F)c1)OCc1ccccc1 203697597 MPXQYNYBUZHTMR-UHFFFAOYSA-N 289.071 1.254 50 50 CDGA in-vitro CCC[C@@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954492 SSQDKXBPYGPIAY-UONOGXRCSA-N 281.363 1.674 50 50 CDGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccncc1 434914 YFNDGAPTSYRUMC-GIJQJNRQSA-N 293.282 1.952 50 50 CDGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 435208 HDBMZKWOPWAKDV-OVCLIPMQSA-N 273.248 1.501 50 50 CDGA O=C(Cc1cccs1)N/N=C\c1ccc(O)cc1O 13895735 BBXHNPOSACXMPT-ZSOIEALJSA-N 276.317 1.852 50 50 CDGA C[C@@H](Cl)C(=O)NCc1nncn1-c1ccccc1 1875363942 FDUXANSVLVRFQD-SECBINFHSA-N 264.716 1.511 50 50 CDGA O=C(CCl)N[C@@H]1CCN(C(=O)c2ccccc2)C1 1875364312 NONOVERBSYYESM-LLVKDONJSA-N 266.728 1.256 50 50 CDGA COc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1 584131 BGUUCVBIZONQAD-VCHYOVAHSA-N 299.330 1.963 50 50 CDGA Cc1cc(B(O)O)c(F)c(OCc2ccccc2)c1F 169955591 IVSFYAXLMLBYNW-UHFFFAOYSA-N 278.063 1.532 50 50 CDGA CCN(C)NC(=O)Cc1c(C)nn(C(F)F)c1C 253417345 KMJPXMAEENZVMU-UHFFFAOYSA-N 260.288 1.420 50 50 CDGA Cc1nc(CN2CCCN(C(=O)[C@H](C)Cl)CC2)no1 1875364529 NOPUABYYEJOZHE-VIFPVBQESA-N 286.763 1.040 50 50 CDGA CN(C(=O)CCl)[C@H]1CCCN(c2cccnn2)C1 1875364594 XJYCRNIDEMJNDT-JTQLQIEISA-N 268.748 1.143 50 50 CDGA O=C(N/N=C/c1cccnc1)[C@H]1COc2ccccc2O1 291150 CCTCXJGFYPCIBK-IREQLNLFSA-N 283.287 1.372 50 50 CDGA COCCCNC(=O)/C(C#N)=C/c1cccn1C(F)F 1615553762 ZNMSOCGKNYIMGH-CSKARUKUSA-N 283.278 1.943 50 50 CDGA OB(O)c1ccc(-c2csc(-c3ccccn3)n2)cc1 169744735 NATNASKGEVWEHX-UHFFFAOYSA-N 282.133 1.552 50 50 CDGA C[n+]1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 333209 VDHXCAYFQLQHSF-UHFFFAOYSA-O 279.323 1.756 50 50 CDGA CC(C)N1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1 55072034 NIBPZIGWYYTKBE-OAHLLOKOSA-N 289.379 1.696 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@H]1OC=CC(=O)[C@@H]1O 195805023 BBVKFBLMSSGFOY-MNOVXSKESA-N 258.390 1.851 50 50 CDGA NNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 449056 VZVHISFQRUWARY-UHFFFAOYSA-N 263.175 1.146 50 50 CDGA Cc1ccc(NC(=O)c2ccc(B(O)O)cc2F)cc1 169744143 LSJSVRMOISJNER-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(O)c1 42634 DTLIZDFEZQPPPW-AWEZNQCLSA-N 298.298 1.913 50 50 CDGA C[C@H](Cl)C(=O)N(C)[C@@H]1CCN(c2ccncc2)C1 1875369913 PUERFTIAAWLAHC-CMPLNLGQSA-N 267.760 1.746 50 50 CDGA Cc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1 2892276 ZGLKOCZNUTUMSN-OQLLNIDSSA-N 261.325 1.360 50 50 CDGA CC(=O)c1cc2c(cc1NC(=O)CCl)OCO2 515950 VFZJXKHAFWSVGO-UHFFFAOYSA-N 255.657 1.795 50 50 CDGA C[C@@H](Cl)C(=O)NCCc1noc(-c2ccccn2)n1 1875363916 DNHWYEMBICSINP-MRVPVSSYSA-N 280.715 1.418 50 50 CDGA Cc1ccc(/C=N/NC(=O)CCN2CCN(C)CC2)cc1 19367070 UUUFWYCJMVPAFI-GHRIWEEISA-N 288.395 1.083 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1ccncc1 323955 FHPBWQWLOSHMLI-UHFFFAOYSA-N 255.277 1.465 50 50 CDGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCl)c1 2597265 MCJXWDAWSRTYBH-UHFFFAOYSA-N 285.683 1.437 50 50 CDGA Cc1ccc(C)c(NC(=O)c2cccc(B(O)O)c2)c1 169745355 VXKQWIGNLAJBGU-UHFFFAOYSA-N 269.109 1.236 50 50 CDGA in-vitro Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(N)=O 5730334 UOEYGMZGAJEOEF-UHFFFAOYSA-N 297.112 1.082 50 50 CDGA COC(=O)[C@@H](Br)C(F)(F)Br 8698385 XXFZHIIUXZPTPM-UWTATZPHSA-N 281.878 1.911 50 50 CDGA OB(O)c1cccc(-c2noc(C3CC4(CC4)C3)n2)c1 863892597 BMKLMXCHANYCQD-UHFFFAOYSA-N 270.097 1.074 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1 1875380437 OYQRTRJMCKVFIC-IRUJWGPZSA-N 297.786 1.867 50 50 CDGA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)CCl 1875374647 BQIWWXYOSRTYGC-NXEZZACHSA-N 259.733 1.212 50 50 CDGA OB(O)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1 169747329 WNDRDSTVBFGULJ-UHFFFAOYSA-N 296.053 1.964 50 50 CDGA in-vitro C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1Cl 169744426 FWAPMCYSTDCXBR-SECBINFHSA-N 281.548 1.034 50 50 CDGA O=C(CCl)NNC(=O)C1(c2ccccc2)CCC1 952995701 VXNWSVXJRUXCHK-UHFFFAOYSA-N 266.728 1.495 50 50 CDGA CC(C)(C)OC(=O)Nc1cc(B(O)O)ccc1Cl 169745482 YDGKXXRWQFCXOO-UHFFFAOYSA-N 271.509 1.367 50 50 CDGA in-vitro C[C@H](Cl)C(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 1875375802 ITVJHJAFHQTSTM-LSJOCFKGSA-N 273.785 1.910 50 50 CDGA COCC(=O)NNC(=S)Nc1cccc(C)c1C 13497318 RDUWXASMKLBQIE-UHFFFAOYSA-N 267.354 1.267 50 50 CDGA CC(=O)NNC(=O)c1cc(Cl)c(Br)[nH]1 2325722032 YZNCHELELYDJEK-UHFFFAOYSA-N 280.509 1.212 50 50 CDGA C[C@@H](Cl)C(=O)Nc1cc(C(N)=O)cc2cccnc12 1875380461 PQMKXNHGPSULJQ-SSDOTTSWSA-N 277.711 1.900 50 50 CDGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)o1 4209655 KQHXKTUQMXGXTB-LZYBPNLTSA-N 289.266 1.816 50 50 CDGA Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 5081004 FQPIMGDYWFCWHR-LLVKDONJSA-N 298.277 1.436 50 50 CDGA O/N=C1/[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 252497868 FLIVZDHPXLXDIL-GWVZGUSPSA-N 254.127 1.968 50 50 CDGA CC(C)COC(=O)N1CCN(C(=O)[C@H](C)Cl)CC1 1875364361 LWDSCAYPJGPOTQ-JTQLQIEISA-N 276.764 1.551 50 50 CDGA Cc1ccc(N2CCN(C(=O)CCl)CC2=O)o1 1875378040 UQPUWHDXPGRGOQ-UHFFFAOYSA-N 256.689 1.002 50 50 CDGA OB(O)c1ccc(Br)c2ccccc12 169747379 DKKOMUVRCPKTFX-UHFFFAOYSA-N 250.888 1.282 50 50 CDGA in-vitro O=C(N/N=C/c1ccc(O)cc1O)c1ccccn1 227923 KPWQVUHCVXDZIK-OVCLIPMQSA-N 257.249 1.257 50 50 CDGA Cc1cccc(OCC(=O)N/N=C/c2ccc[nH]2)c1 431826 URJQKOBQYIXKIS-CXUHLZMHSA-N 257.293 1.852 50 50 CDGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1 491793 YSKKWSZLIIBYLL-RIYZIHGNSA-N 289.247 1.717 50 50 CDGA C[C@H](Cl)C(=O)N1CCC(c2nc(N(C)C)no2)CC1 1875367437 BDFMVAOCFURILU-QMMMGPOBSA-N 286.763 1.469 50 50 CDGA COc1ccccc1NCC(=O)N/N=C/c1ccccc1O 60447 JNJGKEUQIZRQHU-VCHYOVAHSA-N 299.330 1.963 50 50 CDGA N#CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 112031 DQNCYYOHSXGOGR-VIFPVBQESA-N 250.254 1.672 50 50 CDGA O=C1CC[C@@H](NC(=O)CCl)[C@H]([C@H]2C[C@H]3CC[C@H]2C3)N1 1875379327 PXUXEBXCMXFJKD-ROKJBNPBSA-N 284.787 1.425 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](Cn1cncn1)c1ccccc1 1875363603 LOWSSQIIIADCMD-ZYHUDNBSSA-N 278.743 1.763 50 50 CDGA Cc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 146453 QDRHSQXTOBBZEU-UHFFFAOYSA-N 299.286 1.978 50 50 CDGA O=S(=O)(c1ccsc1CCl)N1CCOCC1 20534658 QVRQULSURXMPRP-UHFFFAOYSA-N 281.786 1.508 50 50 CDGA Cc1ccc(/C=N/NC(=O)c2snnc2C)o1 246620 WLXZBJYZVHPRGP-VZUCSPMQSA-N 250.283 1.512 50 50 CDGA Cc1cccc(NC(=S)NNC(=O)CCC(=O)O)c1 2133326 KBRYPJMGIRMGAO-UHFFFAOYSA-N 281.337 1.177 50 50 CDGA Cc1n[nH]c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 4567242 XOPHPVPLGMSODQ-LBPRGKRZSA-N 252.277 1.936 50 50 CDGA C[C@H]1CCc2[nH]c3c(C(=O)NNC=O)cccc3c2C1 239762198 CLIDPRONAFLLQU-VIFPVBQESA-N 271.320 1.684 50 50 CDGA C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)NN 2510177 BLWJFSQZXQFICN-ZCFIWIBFSA-N 264.203 1.342 50 50 CDGA C[C@H](O)CC(=O)NNC(=S)N[C@H](C)c1ccccc1 2853055 FQQJDKFLCAMNTP-VHSXEESVSA-N 281.381 1.014 50 50 CDGA COC(=O)C(=O)[C@H](Br)C(=O)c1ccccc1 100007901 ZLWZFMIPUOKDJU-MRVPVSSYSA-N 285.093 1.375 50 50 CDGA C=CCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 5480599 XYHFQLZOQUOWDC-UHFFFAOYSA-N 293.436 1.884 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC(c2nc(N(C)C)no2)CC1 1875367436 BDFMVAOCFURILU-MRVPVSSYSA-N 286.763 1.469 50 50 CDGA COc1cccc(/C=N/NC(=O)c2ccco2)c1O 227710 FJRCZQHAWRXKFV-RIYZIHGNSA-N 260.249 1.758 50 50 CDGA COc1ccc(NC(=O)[C@H](F)Cl)cc1-n1cnnn1 2325898742 YAKMQXFNFAYHTA-VIFPVBQESA-N 285.666 1.144 50 50 CDGA Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)c1 195356 MMLAIVNEYNIVFO-ZDUSSCGKSA-N 292.335 1.009 50 50 CDGA C=CCNC(=S)NNC(=O)COc1cccc(Cl)c1 2861831 XTYNORJBIXOWDQ-UHFFFAOYSA-N 299.783 1.400 50 50 CDGA C[C@H](Oc1ccc(Br)cc1)C(=O)NN 260489 APNYQCKNAHEZCX-LURJTMIESA-N 259.103 1.206 50 50 CDGA in-vitro COc1cc(C(=O)NCCCl)cc(OC)c1OC 3634177 SVYIGKZLHBKTKU-UHFFFAOYSA-N 273.716 1.681 50 50 CDGA COC(=O)[C@H](CCc1ccc(OC)cc1)NC(=O)CCl 1875369924 QOUGWRKGZATRRG-LBPRGKRZSA-N 299.754 1.524 50 50 CDGA O=C(CCl)NCCc1cc(F)cc2c1OCOC2 1875362964 LOSOTDFVVFPNEX-UHFFFAOYSA-N 273.691 1.590 50 50 CDGA O=C(CCl)N1CCN2C(=O)CC[C@]12c1ccccc1 1875378013 UBFHQQQOEMCMJZ-CQSZACIVSA-N 278.739 1.543 50 50 CDGA COC[C@@H](NC(=O)[C@H](C)Cl)c1cccc(C#N)c1 1875367164 UOJSCAFHAPMABC-JOYOIKCWSA-N 266.728 1.989 50 50 CDGA Cc1ccccc1NC(=O)c1ccc(F)c(B(O)O)c1 169744355 UDKALYVVNHUFTK-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA C[C@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1 206694081 WULYPZWRNSWJFH-SECBINFHSA-N 275.301 1.601 50 50 CDGA CC1=NN(c2nc(N)nc(CBr)n2)C(C)(C)C1 336506 RWPOJZGGDICCEL-UHFFFAOYSA-N 299.176 1.713 50 50 CDGA Cc1ccc(OCC(=O)NN)c(-n2nc3ccccc3n2)c1 1443206 YLSZWZDQJSSWCP-UHFFFAOYSA-N 297.318 1.098 50 50 CDGA N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(N)=S 4820412 GBHKIKCLMVQYTH-FMIVXFBMSA-N 273.361 1.716 50 50 CDGA O=C(N/N=C/c1cccs1)[C@@H](O)c1ccccc1 438334 YTINECYFWUFJNC-IGVUGNCQSA-N 260.318 1.932 50 50 CDGA O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 19849628 ICZZQTGHLHOMJR-UHFFFAOYSA-N 270.248 1.754 50 50 CDGA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NNc1ccccc1 1383683 PNTZFQUBRFJEGF-NEPJUHHUSA-N 260.293 1.797 50 50 CDGA O=C(Cl)c1nn2cccnc2c1Br 2538207 WALXWKCBTRILKD-UHFFFAOYSA-N 260.478 1.871 50 50 CDGA CN(C)S(=O)(=O)c1ccc(CBr)cc1 12957043 KTFSQBCKLKHZRU-UHFFFAOYSA-N 278.171 1.832 50 50 CDGA C[C@H](O)CN(C)NC(=O)c1csc(N2CCCCC2)n1 910146584 LBCLIIZFGSTRDK-JTQLQIEISA-N 298.412 1.091 50 50 CDGA C[C@@H](Cl)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 1875363530 HOUJCUYHUBXTBK-LLVKDONJSA-N 286.803 1.865 50 50 CDGA CC(C)(C)OC(=O)N1CCC(=O)[C@H](Br)C1 39173316 RGWGRRBHQUREDE-SSDOTTSWSA-N 278.146 1.960 50 50 CDGA in-vitro CCCCOc1c(Cl)cc(B(O)O)cc1Cl 169747885 CZGPPYHWISSCGP-UHFFFAOYSA-N 262.929 1.852 50 50 CDGA in-vitro O=C(N/N=C/c1ccccc1O)[C@H]1COc2ccccc2O1 291048 GLQLRYSJGABLJV-GFHWABCWSA-N 298.298 1.682 50 50 CDGA COc1cc2nc(C(=O)Cl)c(=O)n(C)c2cc1OC 6072332 HQUXEWBKFUSDKC-UHFFFAOYSA-N 282.683 1.330 50 50 CDGA in-vitro Cn1c(=O)n(C)c2cc(C(=O)CCl)c(Cl)cc21 16363833 DEGWFJLHRSUUSN-UHFFFAOYSA-N 273.119 1.952 50 50 CDGA CCc1ccc2occ(C(=O)NN(C)C[C@@H](C)O)c2c1 818027493 WBCXDXKNXKVLKA-SNVBAGLBSA-N 276.336 1.953 50 50 CDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2)c(Cl)c1 169745508 DKRYKTFMVWDUMU-UHFFFAOYSA-N 289.527 1.581 50 50 CDGA in-vitro O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccco1 438701 SVQBYEYZSQVBFG-UHFFFAOYSA-N 289.247 1.192 50 50 CDGA COC(=O)c1ccc(NC(=O)CCCCl)nc1 263623020 CWRWRBVOUHDMAU-UHFFFAOYSA-N 256.689 1.826 50 50 CDGA CC(C)c1nnc([C@@H]2CN(C(=O)[C@H](C)Cl)CCO2)o1 1875380028 CIKVSYPSNQLVKT-IUCAKERBSA-N 287.747 1.720 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H]1COc2cc(F)ccc2C1 1875377196 ASSWVNRSMXEHSU-GMSGAONNSA-N 257.692 1.873 50 50 CDGA Cc1cccc(OC[C@@H](O)CNC(=O)CCl)c1 1320465365 GPDWOKHZJVFPBP-JTQLQIEISA-N 257.717 1.090 50 50 CDGA CCN(CC)c1ccc2cc(C(=O)NN)c(=O)oc2c1 57580 LYBMHAINSFEHRL-UHFFFAOYSA-N 275.308 1.243 50 50 CDGA O=C(Cc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 299121 LJIZWCVBHLXUKS-UHFFFAOYSA-N 299.286 1.599 50 50 CDGA COC(=O)C(=O)[C@@H](Br)C(=O)c1ccccc1 100007904 ZLWZFMIPUOKDJU-QMMMGPOBSA-N 285.093 1.375 50 50 CDGA C[C@H](Cl)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 1875364495 SNOGNAANIJPFCI-SFYZADRCSA-N 267.778 1.038 50 50 CDGA COC(=O)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 227627 TXNOAMVFDNFDSO-RQZCQDPDSA-N 283.287 1.632 50 50 CDGA CCOc1ccc(NC(=O)C(=O)NN=C(C)C)cc1 5008669 SLHFQUXGYWCPGT-UHFFFAOYSA-N 263.297 1.536 50 50 CDGA Cn1ccnc1SCc1csc(/C=N/NC(N)=O)c1 1432554 ZPOZEPWYYZMFEN-LHHJGKSTSA-N 295.393 1.776 50 50 CDGA O=C(Cn1c(=O)sc2ccccc21)OCCCl 3110192 NCLNHLYNCDVOHY-UHFFFAOYSA-N 271.725 1.845 50 50 CDGA CCCN1CCC(=NNC(=O)c2ccccc2O)CC1 4611207 VUNBZNOOKVOKEE-UHFFFAOYSA-N 275.352 1.984 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@H](c1ccccc1)c1nc[nH]n1 1875376505 ZDKLCCUZKVCUNF-MWLCHTKSSA-N 278.743 1.680 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 1875364790 UGCCHFWDQCDJGE-KDTXOGJCSA-N 251.757 1.876 50 50 CDGA Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)sn1 585118862 FRZOXFHVYQRPIH-UHFFFAOYSA-N 291.398 1.197 50 50 CDGA COc1nccnc1NNC(=O)[C@@]1(C)CC1(Cl)Cl 131751289 IELOHKZLSDKKOM-SECBINFHSA-N 291.138 1.512 50 50 CDGA Cc1ccc(N2CCN(C(=O)[C@@H](C)Cl)CC2=O)o1 1875377870 PPTQARKMLIKVBI-SECBINFHSA-N 270.716 1.391 50 50 CDGA O=C(CCl)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1327533042 OPYVLMOVMAEJIW-AWEZNQCLSA-N 285.746 1.818 50 50 CDGA OB(O)c1ccc2c([C@@H]3CCCCO3)c(O)ccc2c1 169746756 KQWMQSDRQNNXEN-AWEZNQCLSA-N 272.109 1.467 50 50 CDGA CC(C)(C)CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 1857786397 NMHVAHHYKGXBMY-SECBINFHSA-N 281.805 1.287 50 50 CDGA CNC(=S)NNC(=O)Cc1cccc2ccccc12 133743 CWNNXSROBGGVOT-UHFFFAOYSA-N 273.361 1.507 50 50 CDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 2901981 DEXAWJWXDAJVDA-LICLKQGHSA-N 297.314 1.789 50 50 CDGA CO[C@H](CNC(=O)[C@@H](C)Cl)Cc1ccccc1 1875377663 KJCYIZXRPOHQFY-PWSUYJOCSA-N 255.745 1.988 50 50 CDGA C[C@H](Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 1875363581 KMWIMEXLHIRFRW-QMMMGPOBSA-N 290.772 1.302 50 50 CDGA N#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1O 289364 NZEMPBDWWNOMIZ-VCHYOVAHSA-N 295.298 1.793 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 5888502 RVSLLVWIINBVFI-XNTDXEJSSA-N 286.291 1.626 50 50 CDGA O=C(Nc1ccccc1Cl)c1cc(F)cc(B(O)O)c1 169744395 BMLMFDVIVWJDLK-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Cc1ccc(OCc2ccc(F)cc2)c(B(O)O)c1 169746651 UKXCDUUQXMHAFL-UHFFFAOYSA-N 260.073 1.393 50 50 CDGA CC[C@@H](NC(=O)CCl)c1nnc2n1CCCCC2 1324705768 ASGVTVNDYUISHC-SECBINFHSA-N 270.764 1.811 50 50 CDGA CC(C)CC(=O)NNC(=S)NCc1ccco1 13518745 KNQSTQBXGNKKJE-UHFFFAOYSA-N 255.343 1.321 50 50 CDGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(N)cc1 46757 FPQUSXDJFXCEFF-CXUHLZMHSA-N 257.297 1.454 50 50 CDGA O=C(NNC(=S)Nc1ccccc1)c1cccnc1 66869 FYQYTFJUWMJHMW-UHFFFAOYSA-N 272.333 1.713 50 50 CDGA CC[C@H](Oc1ccc(Br)cc1)C(=O)NN 440810 MUXZUNBGOJKQCR-VIFPVBQESA-N 273.130 1.596 50 50 CDGA C[C@@H](Cl)C(=O)NCCN1C[C@@H]2CCCCN2C1=O 1875366518 RBBFGFBFBQPNKR-ZJUUUORDSA-N 273.764 1.020 50 50 CDGA CC(C)(C)OC(=O)n1cc(B(O)O)c2nc(Cl)ccc21 169794275 FVVZLTHHMQQXQH-UHFFFAOYSA-N 296.519 1.153 50 50 CDGA in-vitro O=C(NNC(=O)[C@H]1C[C@@H](c2ccccc2)C1)c1cccnn1 2325781040 FIGLQVUXNXNKLB-BETUJISGSA-N 296.330 1.431 50 50 CDGA O=C(NNC(=S)Nc1ccccc1)c1ccncc1 27656 GDEQICJHJBGISZ-UHFFFAOYSA-N 272.333 1.713 50 50 CDGA biogenic CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@H]1C(N)=O 19867541 BJEKFIDYUOLSGO-VIFPVBQESA-N 278.381 1.507 50 50 CDGA ICCCN1CCOCC1 113899872 LLNMNNABUOJSNQ-UHFFFAOYSA-N 255.099 1.144 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1875380524 RLQWDFPRCLUOSO-LDYMZIIASA-N 287.768 1.400 50 50 CDGA C[C@H](Cl)C(=O)NCc1nc2cccnc2n1C 1875377695 LBEFNTGFPUCYNE-ZETCQYMHSA-N 252.705 1.212 50 50 CDGA CC[C@@H](Oc1cccc(Br)c1)C(=O)NN 276176 BKKYAYQAHAKVLW-SECBINFHSA-N 273.130 1.596 50 50 CDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccnc1 43691 VHDYCYWIIFERPA-CYBMUJFWSA-N 285.303 1.726 50 50 CDGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N1CCCCC1 2892244 SLHICQVSPKYAET-MHWRWJLKSA-N 293.754 1.803 50 50 CDGA COc1ccc(/C(=N\NC(N)=O)c2ccccc2)c(O)c1 22781393 XALFCKVHPBANAA-VKAVYKQESA-N 285.303 1.822 50 50 CDGA CC(C)(C)[Si](C)(C)OC[C@@H]1OCC[C@@H](O)[C@H]1O 1501018230 KKFGQPZYDWCKRC-OUAUKWLOSA-N 262.422 1.519 50 50 CDGA O=C(N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 222660 MRETZGWZOKFPDX-CZCYGEDCSA-N 298.302 1.765 50 50 CDGA CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Cl)CC2 1875364781 UCDKCBKCIBOGIU-RKDXNWHRSA-N 270.764 1.460 50 50 CDGA CCc1ccc2occ(C(=O)NN(C)C[C@H](C)O)c2c1 818027492 WBCXDXKNXKVLKA-JTQLQIEISA-N 276.336 1.953 50 50 CDGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccccc1O 6562465 GAASQPMUWAWTLG-CXUHLZMHSA-N 284.319 1.758 50 50 CDGA Cc1nc(CN2CCCN(C(=O)[C@@H](C)Cl)CC2)no1 1875364528 NOPUABYYEJOZHE-SECBINFHSA-N 286.763 1.040 50 50 CDGA CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)Cl)C1(C)C 1875376222 PGLGQILWVVMOTI-YGOYTEALSA-N 263.765 1.296 50 50 CDGA OB(O)c1cc(Cl)c(C(F)(F)F)c(Cl)c1 1857781956 YODWCXYMSFVDNK-UHFFFAOYSA-N 258.819 1.692 50 50 CDGA O=[N+]([O-])c1ccc(N2CC[C@@H](N=C=S)C2)c2nonc12 6862977 CHKCHHTYBXOUKH-SSDOTTSWSA-N 291.292 1.813 50 50 CDGA Cc1c(/C=N/NC(=O)c2cccc(F)c2)cnn1C 371673 FVRUNEYNTGSFOV-VIZOYTHASA-N 260.272 1.632 50 50 CDGA COc1ccc(OCc2cccc(C(=O)NN)c2)cc1 373987 IOCQDXFWPGUPLN-UHFFFAOYSA-N 272.304 1.878 50 50 CDGA COc1ccc(-c2nc(C(=O)NN)cs2)cc1OC 1391520 ZYUKYVOYHWOEFK-UHFFFAOYSA-N 279.321 1.431 50 50 CDGA C[C@H](NC(=O)[C@@H](C)Cl)c1nnc2n1CCCC2 1875377710 LPIBGJSGJHWLGY-SFYZADRCSA-N 256.737 1.419 50 50 CDGA COc1ccc(/C=N/NC(=O)c2cc(C)[nH]n2)c(OC)c1 301063 LKMJMLRVCDXJCB-OVCLIPMQSA-N 288.307 1.499 50 50 CDGA N#CC1=C(N)Oc2ccc([N+](=O)[O-])cc2[C@H]1C(C#N)C#N 15636475 CJCUIGZMAFKOEK-GFCCVEGCSA-N 281.231 1.428 50 50 CDGA CC(C)COc1cc(B(O)O)ccc1OC(F)(F)F 169964705 LZEUPUDDDXMFQM-UHFFFAOYSA-N 278.035 1.300 50 50 CDGA C/C(NC1CCCCCC1)=C(\C#N)C(=O)NC(N)=O 252500357 SSYKSCDGPHUNCS-LUAWRHEFSA-N 264.329 1.291 50 50 CDGA CN1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 55007637 DWELXRPVLAVMDN-UHFFFAOYSA-N 276.296 1.406 50 50 CDGA O=C(NC1CCCCC1)c1ccc(B(O)O)cc1Cl 169744094 MRKODTKFSLUDTB-UHFFFAOYSA-N 281.548 1.082 50 50 CDGA in-vitro OB(O)c1ccccc1OCc1ccc(F)cc1F 169926594 WHTAOABISMWPQO-UHFFFAOYSA-N 264.036 1.224 50 50 CDGA in-vitro O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 528985 XGDRDNRTMANXOP-CQSZACIVSA-N 298.298 1.288 50 50 CDGA O=C(CCl)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 1875364253 LVODABIOWPQFBP-LLVKDONJSA-N 272.776 1.523 50 50 CDGA Cc1ccc(OCC(=O)NNC(=O)c2ccco2)cc1 63752 HRXDOUHGBQXFDT-UHFFFAOYSA-N 274.276 1.428 50 50 CDGA CSc1ncc(NC(=O)[C@H](C)Br)cn1 3130167 MGUGNMPFNREELQ-YFKPBYRVSA-N 276.159 1.920 50 50 CDGA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)[C@H](C)Cl)o1 1875375981 LAVRMLKJSNKLMA-RVBZMBCESA-N 299.758 1.681 50 50 CDGA Cc1ccc(OCc2cccc(F)c2)c(B(O)O)c1 169922540 OXODKPOWGXXKNW-UHFFFAOYSA-N 260.073 1.393 50 50 CDGA Cc1cc2c(c(=O)o1)[C@H](c1ccoc1)C(C#N)=C(N)O2 207948 DLMPWSSKSIJITE-LLVKDONJSA-N 270.244 1.759 50 50 CDGA CCCNC(=O)NNC(=O)c1ccc(Cl)cc1 2167163 ZMIWTWXSXKRWTD-UHFFFAOYSA-N 255.705 1.694 50 50 CDGA O=C(CCl)N[C@H]1CCC2(CCC1(F)F)OCCO2 1875368809 ACCGHIKKXKLNCR-QMMMGPOBSA-N 283.702 1.662 50 50 CDGA C[C@@H](Cl)C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 1875366342 CFYRAUWBDJKJOU-XCBNKYQSSA-N 295.726 1.523 50 50 CDGA COc1ccsc1C(=O)NNc1c(C#N)c(C)nn1C 1875345392 ZAVLYPVOPXHYCW-UHFFFAOYSA-N 291.336 1.427 50 50 CDGA Cc1n[nH]c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 8972875 WUWJNENIKBUUEP-CYBMUJFWSA-N 296.286 1.665 50 50 CDGA NC(=O)N/N=C1/c2ccccc2-c2ccc(C(=O)O)cc21 6865074 DEJNWJWLDWHVSI-LGMDPLHJSA-N 281.271 1.786 50 50 CDGA CC1=CC(=O)/C(=C(/C)NNC(=O)c2ccccc2)C(=O)O1 136762387 SPKYKFINKUQIJG-JLHYYAGUSA-N 286.287 1.225 50 50 CDGA O=C(CCl)NC[C@@H]1CCN(C(=O)Cc2ccccc2)C1 1875364704 QVUIKUUGAZACDA-ZDUSSCGKSA-N 294.782 1.433 50 50 CDGA O=C(CCl)N1CCN(c2nsc(C3CC3)n2)CC1 1875370703 ZQWVYWVGPSMGBR-UHFFFAOYSA-N 286.788 1.303 50 50 CDGA O=C(Nc1ccc(F)cc1)c1ccc(B(O)O)cc1Cl 169744385 ISCCNIIGZLDUEO-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA Nc1nonc1C(=O)N/N=C/c1ccccc1Cl 35902 UVOMLBOQNYUYTK-WLRTZDKTSA-N 265.660 1.069 50 50 CDGA CCOC(=O)CC[C@H](Br)C(=O)OCC 32155599 OXJSWZSWGJACGU-ZETCQYMHSA-N 267.119 1.656 50 50 CDGA C[C@H](Cl)C(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 1875375553 DKEDVBWFYOUVOK-JTQLQIEISA-N 293.816 1.431 50 50 CDGA Cc1ncc2c(n1)CCN(C(=O)[C@H](C)Br)C2 1875388682 LVQDWZYKSKJMBA-ZETCQYMHSA-N 284.157 1.453 50 50 CDGA O=C1NCCC[C@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 3153050 FGARAGIPEGNVOF-KBSHCFNASA-N 284.319 1.144 50 50 CDGA CC(C)(C)c1ccccc1Oc1ccc(B(O)O)cn1 169978099 AUPGMPCNGWLXGK-UHFFFAOYSA-N 271.125 1.851 50 50 CDGA O=C1c2ccccc2C(=O)N1OCCBr 3086184 OCWDBKQNNKCYCJ-UHFFFAOYSA-N 270.082 1.609 50 50 CDGA in-vitro Cc1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 32551085 WNWHVQRUCQSWIO-GFCCVEGCSA-N 297.274 1.845 50 50 CDGA C[C@@H](Cl)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 1875375750 HMPRAWARUPLAPO-OUAUKWLOSA-N 275.776 1.298 50 50 CDGA Cc1nn(C)c(NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C#N 1875345400 ZGRDNEDTKIXOSU-OLZOCXBDSA-N 295.346 1.847 50 50 CDGA COc1ccc(C(=O)N/N=C/c2ccccn2)cc1OC 175562 MYLOBKXARXXTLZ-LICLKQGHSA-N 285.303 1.863 50 50 CDGA O=C1NCCC[C@@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 3153048 FGARAGIPEGNVOF-BEAUZRKQSA-N 284.319 1.144 50 50 CDGA O=C(NNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)c1cn2c(n1)CCCC2 1875271754 OWERQENERSKRFR-URLYPYJESA-N 288.351 1.027 50 50 CDGA CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)CCl)o1 1875377699 LDYNSOKOROAYNQ-NSHDSACASA-N 284.743 1.818 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 1875367153 SCDIODZOPPRASC-AUTRQRHGSA-N 274.748 1.351 50 50 CDGA O=C(CCl)NCc1ccc2c(c1)CCC(=O)N2 12375097 MDJWVCAJRUNSSR-UHFFFAOYSA-N 252.701 1.426 50 50 CDGA OB(O)c1ccc2c([C@H]3CCCCO3)c(O)ccc2c1 169746757 KQWMQSDRQNNXEN-CQSZACIVSA-N 272.109 1.467 50 50 CDGA O=C(CCl)NNC(=O)COc1ccc(Cl)cc1 3351155 IYYJWBZRMUZXOK-UHFFFAOYSA-N 277.107 1.105 50 50 CDGA in-vitro Cn1cc(C[C@H]2CCC[C@H]2NC(=O)CCl)cn1 1875367922 ZYBDGZQWYDOTSZ-GHMZBOCLSA-N 255.749 1.486 50 50 CDGA O=C(CCl)NCC[C@@H]1COc2ccccc2O1 1875363989 GXRWSUWDIOIFFO-SECBINFHSA-N 255.701 1.572 50 50 CDGA OB(O)c1ccc(OCc2ccccc2)c(Cl)c1 169745050 AYSMMNDQVZAXQY-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro O=C(O)c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 27810 KDBWMSXSMKMXKK-FBJMNJBLSA-N 298.298 1.569 50 50 CDGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1O 228565 JPUBLNLFPWMYQG-CAOOACKPSA-N 286.291 1.345 50 50 CDGA Cc1cccc(NC(=O)c2ccc(F)c(B(O)O)c2)c1 169744414 DULJUFCUHPACGN-UHFFFAOYSA-N 273.072 1.066 50 50 CDGA N#CC1=C(SCC(=O)O)NC(=O)[C@H](C#N)C12CCCC2 192061 WNIFJSRDCGNVBQ-QMMMGPOBSA-N 291.332 1.369 50 50 CDGA CC1(C)COC(=O)/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1 100288943 NYXPDSHGNZKZFO-UVTDQMKNSA-N 291.263 1.264 50 50 CDGA Cc1nn(C)c(C(=O)N/N=C/c2ccccc2)c1[N+](=O)[O-] 371147 IQQCXDIIVJQZPK-RIYZIHGNSA-N 287.279 1.401 50 50 CDGA COc1ccc(CCNC(=O)[C@H](F)Cl)cc1OC 1875362182 UOWIEOYMTVGFOU-NSHDSACASA-N 275.707 1.897 50 50 CDGA C[C@@H](NC(=O)CCl)c1ccc(-n2ccnn2)cc1 1875375273 WYUPKLKQJYHHIG-SECBINFHSA-N 264.716 1.683 50 50 CDGA O=C(N/N=C/c1ccncc1)c1n[nH]c2c1CCC2 179334 VUHATRCEIIYUGE-OVCLIPMQSA-N 255.281 1.057 50 50 CDGA O=C(CBr)CCN1C(=O)c2ccccc2C1=O 4089302 PTPZBCHKQSHXQZ-UHFFFAOYSA-N 296.120 1.637 50 50 CDGA in-vitro CCn1c(SCC(=O)NN)nnc1-c1cccc(C)c1 66324335 BOZXWOXLYCBATQ-UHFFFAOYSA-N 291.380 1.355 50 50 CDGA CCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1OC 40217053 YPDZOBLCOSMUSQ-UHFFFAOYSA-N 276.296 1.088 50 50 CDGA C[C@@H](Cl)C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 1875364567 WIDTXDZKMVFDIA-GMSGAONNSA-N 289.162 2.000 50 50 CDGA O=C1O[C@@H]2[C@@H](I)[C@H]3C[C@H]1[C@H]2C3 138097749 HDHTTWLQAIUNEA-VEIUFWFVSA-N 264.062 1.371 50 50 CDGA in-vitro CC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 5962126 SNFZKEONMFDHFI-UHFFFAOYSA-N 277.324 1.189 50 50 CDGA CCCN(C(=O)OC(C)(C)C)c1cccc(B(O)O)c1 169988558 HAEXFTYRVSOANH-UHFFFAOYSA-N 279.145 1.518 50 50 CDGA CNC(=S)NNC(=O)Nc1ccc(C)c(C)c1 3086237 FONSWKFTSWGEIB-UHFFFAOYSA-N 252.343 1.434 50 50 CDGA N#C[C@H]1CN(C(=O)CCl)C[C@]12C(=O)Nc1ccccc12 1875375169 SVRZHTOBCMDCHX-XPTSAGLGSA-N 289.722 1.097 50 50 CDGA COCCNC(=O)N/N=C1\CCc2c(Cl)cccc21 222155525 QWGINUJQYUNYDJ-FOWTUZBSSA-N 281.743 1.936 50 50 CDGA O=C(COc1ccccc1)N/N=C/c1ccc(O)cc1O 243390 GKUUHTPLPXGYPZ-CXUHLZMHSA-N 286.287 1.627 50 50 CDGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(N)cc1 5033465 APOKTMMMJGTVIS-RQZCQDPDSA-N 283.335 1.635 50 50 CDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1O 4786173 HFAHNBPEWVJWOU-ZDUSSCGKSA-N 298.302 1.651 50 50 CDGA OB(O)c1cc(C(F)(F)F)c(Br)cc1F 169955345 PKNMTVAEKUCNKC-UHFFFAOYSA-N 286.815 1.287 50 50 CDGA in-vitro O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(O)c1 235405 VYPZINCVJUHRLY-LZYBPNLTSA-N 284.271 1.885 50 50 CDGA COC(=O)c1ccc(/C=C(\C#N)C(=O)OC(C)C)n1C 821033063 YAJSUCVMXHPUIQ-JXMROGBWSA-N 276.292 1.670 50 50 CDGA CN(C)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 41967 OUIUFGWOJCNQRW-LICLKQGHSA-N 268.320 1.912 50 50 CDGA O=C1CC(CC(=O)N/N=C/c2ccc(Cl)cc2)=NN1 100731471 ROVAFQKYJPZMRL-VGOFMYFVSA-N 278.699 1.056 50 50 CDGA CN1CCN(C(=O)[C@@H](Br)C(F)(F)F)CC1 32099175 NMLHIKZSHDBOHQ-ZCFIWIBFSA-N 289.095 1.086 50 50 CDGA Cc1cc(C(=O)NC2CCN(C(=O)[C@H](C)Cl)CC2)no1 1875364006 HHQRVDGKQWKOFN-VIFPVBQESA-N 299.758 1.331 50 50 CDGA NNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 406763 ZHBDPRLNHFCGHM-UHFFFAOYSA-N 270.292 1.934 50 50 CDGA CC(C)C[C@H](N)C(=O)NNC(=O)OCc1ccccc1 2522688 PQUHXSPDFCXTIY-LBPRGKRZSA-N 279.340 1.317 50 50 CDGA CCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(O)c1 952992627 QLAYQJOPVDTKKN-XFFZJAGNSA-N 288.303 1.914 50 50 CDGA O=C1C[C@H](CI)CN1C1CC1 170609996 IMKRHOOENNGMIC-ZCFIWIBFSA-N 265.094 1.432 50 50 CDGA COC(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 5093517 NQZGSEGKZKWZFJ-WCIBSUBMSA-N 267.197 1.013 50 50 CDGA CN(C)C(=O)CN(C(=O)[C@H](F)Cl)c1ccccc1 2325901350 AFQLWCNYIOWZPH-NSHDSACASA-N 272.707 1.642 50 50 CDGA C[C@H](Cl)C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 1875368198 YKNJWTDRHONKTR-QWRGUYRKSA-N 280.755 1.783 50 50 CDGA CC(F)(F)C1(CNC(=O)CCl)CCOCC1 1875367912 YKXLBOKMKHZJBS-UHFFFAOYSA-N 255.692 1.793 50 50 CDGA Cc1nc2cc(O)nn2c(C)c1CNC(=O)[C@H](C)Cl 1875363829 BCVPPEOSZAHIIR-LURJTMIESA-N 282.731 1.295 50 50 CDGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 1875363737 WKIGFVQMKUJNOX-NXEZZACHSA-N 270.764 1.132 50 50 CDGA Nc1nc(CCl)nc(NCCc2ccccc2)n1 1423355 PUAOOCQSPNTZLI-UHFFFAOYSA-N 263.732 1.847 50 50 CDGA O=C1C(=O)N(CCBr)c2ccccc21 2668691 SJALPCXFOSGNST-UHFFFAOYSA-N 254.083 1.611 50 50 CDGA in-vivo COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)CCl 1875374953 LMWIQBTWMFMVHT-PWSUYJOCSA-N 283.755 1.762 50 50 CDGA CN(C(=O)[C@H]1CCCN(C(=O)CCl)C1)c1ccccn1 1875370383 MTXIIOXGYREGEB-NSHDSACASA-N 295.770 1.522 50 50 CDGA O=C(CCl)N[C@@H]1CCCO[C@H]1c1ccncc1 1875367485 HHZAQRXUDCXQCF-PWSUYJOCSA-N 254.717 1.657 50 50 CDGA OB(O)c1cc(F)ccc1OCCc1ccccc1 169922553 UPUKFGZSYHLUCB-UHFFFAOYSA-N 260.073 1.127 50 50 CDGA in-vitro OB(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 169935241 NPFJJCROCCUTSJ-UHFFFAOYSA-N 267.093 1.427 50 50 CDGA in-vitro Cc1occc1C(=O)N/N=C/c1ccc(O)cc1O 251135 VDRUGNUDPVREQB-VGOFMYFVSA-N 260.249 1.763 50 50 CDGA Cc1ccc(C(=O)NNC(=S)NC(C)(C)C)cc1 4915460 LEOCMZOGFOYKIB-UHFFFAOYSA-N 265.382 1.902 50 50 CDGA Cc1ccsc1/C=N/NC(=O)CN1CCSCC1 55554727 USYWORMVRLPZOU-MDWZMJQESA-N 283.422 1.555 50 50 CDGA COC(=O)[C@@]1(NC(=O)CCl)CCc2ccccc2C1 1875368929 HHFGUPDMFCGXGZ-CQSZACIVSA-N 281.739 1.442 50 50 CDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(Cl)ccc21 169743858 AHBMFEBTZKYPED-UHFFFAOYSA-N 295.531 1.758 50 50 CDGA in-vitro CCc1ccc(OCC(=O)NNC(=O)C2CC2)cc1 486490 JWRQIZNPMZZWKA-UHFFFAOYSA-N 262.309 1.185 50 50 CDGA Cc1c(C(=O)NN)[nH]c2ccc(Br)cc12 521157 OMCXWXWQJHHURB-UHFFFAOYSA-N 268.114 1.842 50 50 CDGA CC(C)OCCCNC(=S)NNC(=O)c1ccncc1 2212396 WXBIJKSAPKERQY-UHFFFAOYSA-N 296.396 1.006 50 50 CDGA Cc1nc2cc(B(O)O)c(F)cc2n1Cc1ccccc1 170002253 UQSGBPFBMGZPBC-UHFFFAOYSA-N 284.099 1.212 50 50 CDGA CC1(C)CCCC(C)(C)N1Cc1ccccc1B(O)O 195922003 DOZVPMCVRDTTJK-UHFFFAOYSA-N 275.201 1.910 50 50 CDGA C[C@@]1(O)[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H](I)[C@@H]([C@H]42)[C@H]1[C@H]53 254839621 CLTFPOYVGDADLT-VKGPIZQHSA-N 288.128 1.539 50 50 CDGA C[C@H](NC(=O)[C@@H](C)Cl)C(=O)N1CCc2ccccc21 1875363984 GPZREVQMRLBHBX-ZJUUUORDSA-N 280.755 1.708 50 50 CDGA CC1(CN2CCOCC2)CCN(C(=O)CCl)CC1 1875378151 WLEUJAGWSLXYHQ-UHFFFAOYSA-N 274.792 1.186 50 50 CDGA C[C@H](Cl)C(=O)Nc1cc2c(cc1F)NC(=O)CO2 1875370323 KEYYBIJZGMDWSS-YFKPBYRVSA-N 272.663 1.722 50 50 CDGA Cc1ccccc1OCC(=O)N/N=C/c1ccncc1 257383 RJPUCKRJCKBYIH-LICLKQGHSA-N 269.304 1.919 50 50 CDGA O=C(O)C[C@@H](Br)C(=O)CBr 2045768 WJBYRLPTCCHXFM-GSVOUGTGSA-N 273.908 1.189 50 50 CDGA CC(C)(C)c1cc(C(=O)N/N=C\c2ccncc2)[nH]n1 32617912 SOBYZSCHOMTSPD-SXGWCWSVSA-N 271.324 1.866 50 50 CDGA NNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O 40169751 OETNJGVZOBKJOR-UHFFFAOYSA-N 271.198 1.150 50 50 CDGA O=C(NNc1nccnc1Cl)c1ccc2cc[nH]c2n1 782853042 CXTMYXXSHCSDLB-UHFFFAOYSA-N 288.698 1.763 50 50 CDGA CC(C)(N)CC(=O)NC[C@@]1(C)C[C@H]1Br 857007505 MZWHCBYKNCLBLW-GMSGAONNSA-N 263.179 1.404 50 50 CDGA CCOC(=O)[C@@H]1C(O)=C(C#N)C(=O)[C@@H]2CCCC[C@H]12 402389 AYTDRHDKHKNQHE-NGZCFLSTSA-N 263.293 1.890 50 50 CDGA OB(O)c1ccccc1COc1ccccc1Cl 169746622 ONODGDHQBJDGHW-UHFFFAOYSA-N 262.501 1.599 50 50 CDGA in-vitro COc1ccc(C=NNC(=O)c2ccncc2)c(OC)c1 254297103 ZJRHKGPEWKXLQO-UHFFFAOYSA-N 285.303 1.863 50 50 CDGA CS(=O)(=O)SCCNC(=O)c1cc2ccccc2[nH]1 952994167 QWJGBGDFEGEDOO-UHFFFAOYSA-N 298.389 1.591 50 50 CDGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 8951557 PCOJTWPVDWTCTO-LLVKDONJSA-N 280.287 1.297 50 50 CDGA O=C(NNc1ncc(F)cn1)c1cc2c(s1)CCOC2 123271843 AUFAFOIBJRXIEF-UHFFFAOYSA-N 294.311 1.507 50 50 CDGA O=C(CCl)Nc1c[nH]c(C(=O)N2CCCC2)c1 1775988803 JIHZWVHPVVOYAG-UHFFFAOYSA-N 255.705 1.428 50 50 CDGA CC(C)CSc1ncc(C(F)(F)F)cc1B(O)O 169933825 NCDFXUYMQWCKCA-UHFFFAOYSA-N 279.092 1.528 50 50 CDGA in-vitro O=C(N/N=C/c1cccc(O)c1O)c1ccccc1 175873 JZHNRNFHZBZDJV-OQLLNIDSSA-N 256.261 1.862 50 50 CDGA NNC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O 3137651 TXPJWLXYQONJDC-UHFFFAOYSA-N 271.198 1.150 50 50 CDGA CCc1[nH]nc2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 4014277 DGABAVZGIZRFBI-NSHDSACASA-N 267.292 1.585 50 50 CDGA Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CCl 1875378060 VAMFZJNZNHEPMC-LBPRGKRZSA-N 296.754 1.782 50 50 CDGA O=C(CCl)NNC(=O)Cc1cccc2ccccc12 950733942 TVSNXFHUQFKFEZ-UHFFFAOYSA-N 276.723 1.769 50 50 CDGA Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)c1cccnc1 175009 NHIOHMWVZSOJJB-CAOOACKPSA-N 285.303 1.874 50 50 CDGA Cc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)c(C)c1 169744137 DGTVTHBAWHJRJM-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA OB(O)c1cc(F)c(OCc2ccccc2)c(Cl)c1 169955342 XZMSEOVVBRATJN-UHFFFAOYSA-N 280.491 1.738 50 50 CDGA C[C@H]1CN(C(=O)c2ccoc2)CCN1C(=O)[C@@H](F)Cl 2325901376 BRBCQVXBSHPYSQ-WCBMZHEXSA-N 288.706 1.487 50 50 CDGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CO[C@H]2c2cccc([N+](=O)[O-])c21 254850459 AEKDKATZWIHCHJ-JGBZZBSPSA-N 275.216 1.079 50 50 CDGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 4946694 QFWUXDNQFJNPKW-UHFFFAOYSA-N 292.207 1.853 50 50 CDGA CN(C)/C=C(\C#N)S(=O)(=O)c1ccc(F)cc1 1402830 HUGGHJJSESHSKA-DHZHZOJOSA-N 254.286 1.526 50 50 CDGA COCCNC(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1875390637 HSHXELDKDNTRCZ-GDPLEURSSA-N 265.357 1.744 50 50 CDGA N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(N)=S 1068949 OKBLZRITSCPMAZ-WEVVVXLNSA-N 262.290 1.343 50 50 CDGA CCc1nnc(O)c(CNC(=O)[C@@H](C)Cl)c1CC 1875364346 OMGCUQCNVCFBIL-SSDOTTSWSA-N 271.748 1.551 50 50 CDGA NNC(=O)CSCC(=O)Nc1ccccc1Cl 2506170 AJAAYRTYXJWZJI-UHFFFAOYSA-N 273.745 1.002 50 50 CDGA CC(C)=NNC(=O)C(=O)Nc1ccc(Cl)cc1 4954510 XQTBPJDALXTDGC-UHFFFAOYSA-N 253.689 1.791 50 50 CDGA COc1ccc(CCNC(=O)CCl)c(OC)c1 32117978 RHLQQXGTFMENKD-UHFFFAOYSA-N 257.717 1.601 50 50 CDGA COc1ccccc1/C=N/NC(=O)c1cnccn1 228568 FQKMNIMUGGIFAR-LZYBPNLTSA-N 256.265 1.249 50 50 CDGA CCOC(=O)CCCc1ccc(/C=N/NC(N)=O)s1 434683 ORMLXFPOBULETI-RIYZIHGNSA-N 283.353 1.636 50 50 CDGA C[C@H]1CN(C(=O)CCl)CCN1C(=O)c1cscn1 1875377314 BUHZJGNOWPKNSQ-QMMMGPOBSA-N 287.772 1.055 50 50 CDGA O=C(NCc1ccccc1)C(=O)NN=C1CCCCC1 4611349 YRVGYEZJJYQTEV-UHFFFAOYSA-N 273.336 1.739 50 50 CDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccs1 8873986 XQHXUFTWMPGRPV-QMMMGPOBSA-N 272.289 1.050 50 50 CDGA O=C(NNC(=S)NCc1ccccc1)c1ccco1 422543 ZNESDGIEXZIHAU-UHFFFAOYSA-N 275.333 1.589 50 50 CDGA COCCNC(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1875390639 HSHXELDKDNTRCZ-QYRLNQGMSA-N 265.357 1.744 50 50 CDGA O=C(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 11848444 UKILBGHYXVLCGS-UHFFFAOYSA-N 289.740 1.087 50 50 CDGA CC(C)COc1ccc(B(O)O)c(C(F)(F)F)c1 169951715 LIMBLWOUXXAMPZ-UHFFFAOYSA-N 262.036 1.420 50 50 CDGA O=C([C@H](F)Cl)N1CC(c2nccc(C(F)(F)F)n2)C1 2325898617 ODGGLZAPKLPZEQ-ZETCQYMHSA-N 297.639 1.956 50 50 CDGA CC(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 2892234 YPBWNZYLUFNWCU-GZTJUZNOSA-N 287.363 1.883 50 50 CDGA COc1ccc(C(=O)NNC(=O)c2ncccc2C)cc1 174944470 QQPKFBRQZZUOPT-UHFFFAOYSA-N 285.303 1.473 50 50 CDGA C[C@H](Cl)C(=O)NCC1=CS(=O)(=O)c2ccccc21 1875375418 BOQFRDNOYTXFDK-QMMMGPOBSA-N 285.752 1.558 50 50 CDGA CCN(C(=O)OCc1ccccc1)c1ccc(B(O)O)cc1 169964808 ZQSANIXVXNVIRM-UHFFFAOYSA-N 299.135 1.530 50 50 CDGA in-vitro OB(O)c1cc(OC(F)(F)F)c(Cl)cc1Cl 169934493 VERJOIRDTSZURH-UHFFFAOYSA-N 274.818 1.572 50 50 CDGA in-vitro CC[C@@H]1CN(C(=O)CCl)C[C@]2(CCCOC2)O1 1875377524 GJPCEWHDOCVGJV-PWSUYJOCSA-N 261.749 1.412 50 50 CDGA CCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5296812 WHZKXONNRZZZSH-UHFFFAOYSA-N 254.202 1.356 50 50 CDGA CCCN(CCC)C(=O)c1cc(B(O)O)ccc1Cl 169744057 RJQMKVDIIWBELR-UHFFFAOYSA-N 283.564 1.282 50 50 CDGA COc1ccccc1C(=O)NNC(=O)c1cccnc1 123605 WIHLNXSWXINRDE-UHFFFAOYSA-N 271.276 1.165 50 50 CDGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1COC1 135460432 HRSOBHLRPMSDSS-UHFFFAOYSA-N 292.379 1.387 50 50 CDGA C[C@@H]1[C@H](Cl)[C@@H]1CN1CC(=O)N[C@@H]2CCCC[C@@H]21 891850206 OQXJJHCEQGVFMA-YHMTXAQFSA-N 256.777 1.603 50 50 CDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccn1 227957 NTDFFDPMTKZRJZ-OQLLNIDSSA-N 270.248 1.754 50 50 CDGA O=C(Nc1ccc(F)c(Cl)c1)c1cccc(B(O)O)c1 169903838 RSMFAQCLGXKQAT-UHFFFAOYSA-N 293.490 1.411 50 50 CDGA CC(C)(C)c1ccc(/C=N/NC(=O)c2nonc2N)cc1 63485 VPZLXUAVVDZIKA-LZYBPNLTSA-N 287.323 1.713 50 50 CDGA COc1ccc(C(=O)N[C@H](O)C(Cl)Cl)cc1 977705 ZWXKEXVFHJDJFO-SNVBAGLBSA-N 264.108 1.547 50 50 CDGA O=C(C(Cl)Cl)N1CCN(c2ccccn2)CC1 4755470 VPVICABXFJUQQC-UHFFFAOYSA-N 274.151 1.534 50 50 CDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H](O)c1ccccc1 437475 JMRMNRJOMDDHSK-ZBQKXELDSA-N 289.247 1.372 50 50 CDGA O=C(NC1CCCCC1)c1ccc(B(O)O)c(Cl)c1 169744246 GVMZGTPRDKTZFW-UHFFFAOYSA-N 281.548 1.082 50 50 CDGA C[C@H](Cl)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 1875366460 LNAJBVITHDJLGY-CAHLUQPWSA-N 269.654 1.767 50 50 CDGA C[C@H](Cl)C(=O)NCCc1cnc(C2CC2)nc1 1875377467 FFAZCMSRUAJIGD-QMMMGPOBSA-N 253.733 1.640 50 50 CDGA COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1O 45691 RXJQWJMVEMUUPA-RQZCQDPDSA-N 285.303 1.747 50 50 CDGA biogenic,in-vitro Cc1ccc(C)c(NC(=O)c2ccc(B(O)O)cc2F)c1 169744083 YDXCYTQCISBDPU-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA O=C(CCl)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 59014 MDZKSIJGAAFPGQ-VHSXEESVSA-N 252.701 1.176 50 50 CDGA COc1cccc2c1CC[C@]2(CO)NC(=O)CCl 1875375014 NZNMYHWPCQVRLV-CYBMUJFWSA-N 269.728 1.184 50 50 CDGA C/C(=N\NC(N)=O)c1nc2ccccc2n1C(F)F 222048986 RDVAZRXUHRRNHH-OMCISZLKSA-N 267.239 1.824 50 50 CDGA NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 116491 BERIITZPKWMYDS-AWEZNQCLSA-N 252.317 1.983 50 50 CDGA O=[N+]([O-])c1ccc(Sc2ccccc2)c(B(O)O)c1 217045252 GNYHAZVUBDEAIX-UHFFFAOYSA-N 275.094 1.426 50 50 CDGA OB(O)c1ccc2c(ccn2Cc2ccccc2)c1 575442698 JKACPKHWZZGGJB-UHFFFAOYSA-N 251.094 1.369 50 50 CDGA Cn1c(=O)c(CNC(=O)CCl)cc2ccccc21 1875375245 WHNQBEASDKYLCM-UHFFFAOYSA-N 264.712 1.394 50 50 CDGA O=C(CCl)NC[C@]1(CO)CCc2ccccc21 1875367895 WNAHETRTULQBAR-ZDUSSCGKSA-N 253.729 1.218 50 50 CDGA O=C(CCNC(=O)[C@H](F)Cl)OC1CCCCC1 2325898159 VOYBFIOONARJTE-JTQLQIEISA-N 265.712 1.903 50 50 CDGA O=C(NN=C1CCCCC1)C(=O)NN=C1CCCCC1 4261807 DSRJIHMZAQEUJV-UHFFFAOYSA-N 278.356 1.859 50 50 CDGA in-vitro C/C(=N\NC(=O)c1cccnc1)c1ccc([N+](=O)[O-])o1 4975837 LYIPDTUVFJXHFT-RIYZIHGNSA-N 274.236 1.737 50 50 CDGA OCC[P+](CCO)(c1ccccc1)c1ccccc1 100291010 KDQFZBSMWYLGHX-UHFFFAOYSA-N 275.308 1.640 50 50 CDGA N#CC1=C(C(=O)N2CCc3c(O)ncnc3C2)CCC1 1875259295 KERMYBAPSONLAG-UHFFFAOYSA-N 270.292 1.071 50 50 CDGA CC(C)OCc1nnc([C@H](C)NC(=O)CCl)s1 1875389891 HHXKFQOHDGLCLI-ZETCQYMHSA-N 277.777 1.879 50 50 CDGA C[C@@H](Cl)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 1875363558 JJQPMKXHNHDYAD-PWSUYJOCSA-N 280.755 1.704 50 50 CDGA C[C@@H](NC(=O)CCl)c1nc(-c2cccs2)n[nH]1 1875377322 CAIHAKIXTYTVPL-ZCFIWIBFSA-N 270.745 1.949 50 50 CDGA CC[C@H](C(=O)NNc1ccc(F)cc1)C(=O)OC 276524442 FYZZWLOGXVWDOJ-SNVBAGLBSA-N 254.261 1.468 50 50 CDGA COc1ccc(/C(N)=N/NC(=O)OC(C)(C)C)cc1 43769286 WHRFEIUNYJDICR-UHFFFAOYSA-N 265.313 1.840 50 50 CDGA O=C(CCl)NC1CCC(O)(c2cccnc2)CC1 1347089406 AKKVVMTXRDPOEX-UHFFFAOYSA-N 268.744 1.567 50 50 CDGA O=C(N/N=C/c1ccccc1)C(=O)N/N=C/c1ccccc1 1686776 GTIBACHAUHDNPH-JYFOCSDGSA-N 294.314 1.287 50 50 CDGA N#CC1=C(N)Oc2cc(O)cc(O)c2[C@H]1c1cccnc1 407983 CWAKHJLDVJYQIZ-ZDUSSCGKSA-N 281.271 1.711 50 50 CDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1sccc1C 100109885 CVHQBTNDIHMTPG-UQDQQJHMSA-N 292.364 1.409 50 50 CDGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1[C@@H]3[C@@H]4[C@H]2[C@]25CCCC[C@]12[C@@H]3[C@@H]45 254381803 OCGKLAPJHREOCD-BCFHGHGMSA-N 256.301 1.614 50 50 CDGA O=C(F)C(F)(F)C(F)(C(=O)F)C(F)(F)C(=O)F 885164043 FZOIJMKOBNXAIO-UHFFFAOYSA-N 272.047 1.454 50 50 CDGA O=C(N/N=C1/C(O)=Nc2ccccc21)c1cccnc1 6962218 ZRQUIFFSYFFJJZ-UHFFFAOYSA-N 266.260 1.817 50 50 CDGA CN1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1 57415285 XHSFLZGUIWIGIJ-CQSZACIVSA-N 289.335 1.024 50 50 CDGA CSc1cccc(NNC(=O)c2ccc(=O)n(C)c2)c1 119203784 ODTAENSIXZZFLC-UHFFFAOYSA-N 289.360 1.864 50 50 CDGA O=C(N/N=C/c1ccc2nonc2c1)c1ccncc1 1445548 RPHSROADDIXXRI-OVCLIPMQSA-N 267.248 1.382 50 50 CDGA COc1ccccc1OCC(=O)N/N=C/c1ccco1 260020 CXNPPRBSCFVQKO-OQLLNIDSSA-N 274.276 1.817 50 50 CDGA C=CCc1cccc(/C=N/NC(=O)CCCO)c1O 4949466 FWLQCMGQBUATQV-XNTDXEJSSA-N 262.309 1.343 50 50 CDGA O=C(N/N=C/c1ccc(O)cc1O)[C@H](O)c1ccccc1 432052 DZALWIUFFHFJAZ-BRYYZUPOSA-N 286.287 1.282 50 50 CDGA Cc1ccc(F)cc1NC(=O)c1cccc(B(O)O)c1F 169744683 PLBDOBOAIFGKBV-UHFFFAOYSA-N 291.062 1.205 50 50 CDGA Cn1cccc1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5602529 HOWOWTOHZFJXHL-XNTDXEJSSA-N 286.291 1.626 50 50 CDGA NNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 374024 LZDNALYTONEHTF-UHFFFAOYSA-N 295.140 1.297 50 50 CDGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4726083 VBZJCCSKBXQPGX-ZDUSSCGKSA-N 282.303 1.945 50 50 CDGA OB(O)c1cc2ncn(C3CCCCC3)c2cc1F 170001975 DQUDAECMWRIKDZ-UHFFFAOYSA-N 262.093 1.360 50 50 CDGA O=C(O)COc1ccccc1/C=N/NC(=O)c1ccncc1 43420 MDFXJBQEWLCGHP-RQZCQDPDSA-N 299.286 1.309 50 50 CDGA in-man O=C(CCl)N[C@@H](Cn1ccccc1=O)c1ccccc1 1875378311 ZHOZKJSBIKISLB-ZDUSSCGKSA-N 290.750 1.945 50 50 CDGA COC(=O)C[C@H](NC(=O)CCl)C1CCCCC1 1875364155 GBAPKMBKMHRZEO-JTQLQIEISA-N 261.749 1.853 50 50 CDGA COC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)CCl 4529328 AYEZCEVWSNZTQN-DAXSKMNVSA-N 273.628 1.552 50 50 CDGA COc1ccc(Cl)cc1NC(=O)NNC(C)=O 2165376 RTKXCGSLJCLRCD-UHFFFAOYSA-N 257.677 1.521 50 50 CDGA CC(=O)Nc1ccc(C(=O)CCl)cc1[N+](=O)[O-] 4349944 STJQUSFKJADNSQ-UHFFFAOYSA-N 256.645 1.975 50 50 CDGA CC[C@@H]1CN(C(=O)CCl)CCN1CC(F)F 1350354467 NUBSEQKKALUQIM-MRVPVSSYSA-N 254.708 1.413 50 50 CDGA O=C1OC(=O)[C@]23CC[C@@]12CN(Cc1ccccc1)C3 1535542783 YEGJEWMERVCFIW-HUUCEWRRSA-N 257.289 1.352 50 50 CDGA COc1ccc(OC)c(/C=C(\C#N)c2n[nH]c(N)c2C#N)c1 4067319 AKBAJASKPYNAOK-BJMVGYQFSA-N 295.302 1.945 50 50 CDGA O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1605478 PGTJUXHMJYBSBW-NSHDSACASA-N 280.711 1.519 50 50 CDGA O=C(CCl)Nc1cccc(NC(=O)CCl)n1 3130996 KSAZDTMSYSZRSB-UHFFFAOYSA-N 262.096 1.436 50 50 CDGA C/C(=N\NC(=O)Cc1cccn1C)c1ccncc1 4746485 QYDOPTDUFLGLKB-LFIBNONCSA-N 256.309 1.503 50 50 CDGA O=C1[C@@H]2[C@@H]3[C@@H]4[C@H](I)[C@H]5[C@@H]([C@@H]14)[C@H]2[C@H]35 254852370 XCHONFDZXLJZCW-LGBUSOTFSA-N 272.085 1.357 50 50 CDGA O=C(CCl)NC[C@H]1OCCc2sc(F)cc21 1875378113 VUELTMAHYOAOKS-SSDOTTSWSA-N 263.721 1.856 50 50 CDGA O=C(CCl)NCc1ncc(-c2cccs2)[nH]1 1875375302 YHRULKGVZDIYGO-UHFFFAOYSA-N 255.730 1.993 50 50 CDGA CCCCOc1cc(B(O)O)cc(C(F)(F)F)c1 169933781 WKEXJPCKQLCFIS-UHFFFAOYSA-N 262.036 1.564 50 50 CDGA in-vitro [N-]=[N+]=NCCOCCOCCOCCBr 96503548 XSJKYJPWZDLXTI-UHFFFAOYSA-N 282.138 1.741 50 50 CDGA in-vitro Cc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 8845765 JBJAWVQREDWYEK-GFCCVEGCSA-N 297.274 1.845 50 50 CDGA CC(=O)n1cc([C@@H]2CC(=O)OC2=O)c2ccccc21 101364746 LBSNTRNLRAPOTM-JTQLQIEISA-N 257.245 1.859 50 50 CDGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1ccsc1 9110032 VRZOGQHRYBBYOJ-QMMMGPOBSA-N 293.373 1.305 50 50 CDGA O=C(N/N=C1/COc2ncccc21)NC1CCCCC1 2325770971 BSGSBRWQEPWFLZ-ATVHPVEESA-N 274.324 1.810 50 50 CDGA CC1=C(C#N)[C@H](N(C)C)C2=C(CC(C)(C)CC2=O)N1 406452 NSAMZEKRQZERQN-AWEZNQCLSA-N 259.353 1.961 50 50 CDGA O=C1O[C@](C(=O)F)(C(F)(F)F)O[C@@]1(F)C(F)(F)F 100040875 NVLMRLQANVCTOG-DMTCNVIQSA-N 288.046 1.543 50 50 CDGA CC[C@]1(CO)CO[C@@H](CI)C1 521399536 ZICPUOILXZMYGJ-SFYZADRCSA-N 270.110 1.599 50 50 CDGA O=C(NNC(=O)C1CCCCC1)c1coc(C2CC2)n1 1875263009 WSCXYCNELLBGPZ-UHFFFAOYSA-N 277.324 1.893 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 1875363601 LOWSSQIIIADCMD-JQWIXIFHSA-N 278.743 1.763 50 50 CDGA C[C@@H]1[C@@H](NC(=O)CCl)CC(=O)N1Cc1ccccc1 1875375314 YURYSHMDHRQWEW-PWSUYJOCSA-N 280.755 1.531 50 50 CDGA OB(O)c1ccc(C(F)(F)F)cc1OCC1CC1 169934715 KWSCZAFUDFPWNK-UHFFFAOYSA-N 260.020 1.174 50 50 CDGA NNC(=O)CCn1c2c(c3ccccc31)CCCC2 544623 CFARVGLMPWKWOE-UHFFFAOYSA-N 257.337 1.900 50 50 CDGA CN1CCN(C(=O)[C@H](Br)C(F)(F)F)CC1 32099176 NMLHIKZSHDBOHQ-LURJTMIESA-N 289.095 1.086 50 50 CDGA C[C@H](Cl)C(=O)NC1(CO)Cc2ccccc2C1 1875378232 XWVPMMNWGBOONM-VIFPVBQESA-N 253.729 1.260 50 50 CDGA Cc1ccc(C)c(NC(=O)c2cc(F)cc(B(O)O)c2)c1 169744300 JPYJAEWIOOGNRI-UHFFFAOYSA-N 287.099 1.375 50 50 CDGA O=C1c2ccccc2C(=O)c2c1[nH][n+](=O)n2CCCCl 334157813 NKVMQZADYFEORW-UHFFFAOYSA-O 292.702 1.135 50 50 CDGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 1754343 YTSHSKRWVYFSLD-YBFXNURJSA-N 295.342 1.875 50 50 CDGA COc1ccccc1C(=O)NNC(=O)[C@H]1CC=CCC1 273021 XREXAHHJLAPMPS-NSHDSACASA-N 274.320 1.813 50 50 CDGA CC(C)(C)OC(=O)NCC(C)(C)c1cccc(B(O)O)c1 170016963 DXELXJRTJONJDV-UHFFFAOYSA-N 293.172 1.169 50 50 CDGA CCN1Cc2ccccc2[C@@H](NC(=O)CCl)C1 1875374260 HPLDJKZFBHMINC-LBPRGKRZSA-N 252.745 1.918 50 50 CDGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1O 37269 XSOVDKJJBAEXAA-LZYBPNLTSA-N 284.271 1.885 50 50 CDGA C[C@H](Cl)C(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 1875367155 SCDIODZOPPRASC-SBMIAAHKSA-N 274.748 1.351 50 50 CDGA CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC12CCOCC2 170652181 GQDFICYCNPRRKD-VIFPVBQESA-N 270.329 1.359 50 50 CDGA CC(=O)c1ccc(NC(=O)NNC(=O)c2ccccn2)cc1 5061052 CVCVIVBDGHRPSZ-UHFFFAOYSA-N 298.302 1.751 50 50 CDGA C[C@H](Cl)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O 1875363903 DEOBTTJJJFEDPT-JBLDHEPKSA-N 280.755 1.924 50 50 CDGA CCc1nnc(O)c(CNC(=O)[C@H](C)Cl)c1CC 1875364348 OMGCUQCNVCFBIL-ZETCQYMHSA-N 271.748 1.551 50 50 CDGA O=C(CCl)NC[C@]1(c2ccccc2)COCCO1 1875367892 WIDLBOPAOSWQDG-CYBMUJFWSA-N 269.728 1.284 50 50 CDGA O=C(NN=c1cc[nH]cc1Cl)c1ccc2cc[nH]c2n1 782850794 DKKQPENVBGCOMV-UHFFFAOYSA-N 287.710 1.790 50 50 CDGA C[C@H]1CN(CCCCNC(=O)CCl)C[C@@H](C)O1 1253968783 TUSAWQYRSAMYGX-PHIMTYICSA-N 262.781 1.231 50 50 CDGA CNC(=O)C[C@@H](NC(=O)CCl)c1ccc(F)cc1F 1615055668 KPULQZHZXBAPBR-SNVBAGLBSA-N 290.697 1.497 50 50 CDGA COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1O 12368589 QRGSSWYQKGUUQU-UQCOIBPSSA-N 297.108 1.556 50 50 CDGA COc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1 299757 GXSDLEVMUVRUJZ-UHFFFAOYSA-N 288.278 1.909 50 50 CDGA CN(C)C(=O)[C@H](Br)CBr 101365086 NGLXUWPQWYFICX-SCSAIBSYSA-N 258.941 1.233 50 50 CDGA CC(C)(C)c1nc(C(C)(C)NC(=O)CCl)no1 1875363767 YUTZERLZIALNEG-UHFFFAOYSA-N 259.737 1.957 50 50 CDGA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)C12CCOCC2 1875377802 NVRGIESPPIKNPF-OUAUKWLOSA-N 275.776 1.704 50 50 CDGA COC(=O)c1cccc2c1-c1ccccc1/C2=N\NC(N)=O 4899051 TZSOUZFSFGBUOB-NBVRZTHBSA-N 295.298 1.874 50 50 CDGA OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169743211 BPTABBGLHGBJQR-UHFFFAOYSA-N 257.926 1.404 50 50 CDGA in-vitro C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCl 307653556 LLGZTABCADAUIW-WCQYABFASA-N 266.772 1.862 50 50 CDGA C/C(=N\NC(=O)c1ccc(O)nn1)c1ccccc1O 5062114 VAJLKUFHZGFEBN-RIYZIHGNSA-N 272.264 1.042 50 50 CDGA CC(C)(C)[Si](C)(C)Oc1ccccc1B(O)O 169934565 VPEQFGRLHBVFKH-UHFFFAOYSA-N 252.195 1.750 50 50 CDGA Cc1cc(C)nc(NNC(=O)[C@]2(N)C[C@@H]2c2ccccc2)n1 911883916 SFEIKWSNRYCJAG-CJNGLKHVSA-N 297.362 1.422 50 50 CDGA NC(=O)NC(=O)N/N=C/c1ccc(Br)cc1 2392041 LOGRVVGVULBXGN-LFYBBSHMSA-N 285.101 1.161 50 50 CDGA CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1[O] 100178021 BLSCGBLQCTWVPO-UHFFFAOYSA-N 264.392 1.824 50 50 CDGA in-vitro OB(O)c1c(Cl)cc(C(F)(F)F)cc1Cl 170001913 UWHPSRANHQGNHM-UHFFFAOYSA-N 258.819 1.692 50 50 CDGA CCOC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 252430930 UNAVIWIODDXNOP-MVEQLIQHSA-N 289.125 1.121 50 50 CDGA C/C(=N\NC(=O)CN1CCOCC1)c1ccc(Cl)cc1 19534861 RBFSVEARXFIDOF-LFIBNONCSA-N 295.770 1.512 50 50 CDGA Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H](F)Cl)c1 2325898063 RDONEQKMDFIUQU-SECBINFHSA-N 294.735 1.839 50 50 CDGA