smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C(=O)NNC(=O)c2ccco2)nn1C(C)(C)C 117774 HWRNOFBEGSBQSN-UHFFFAOYSA-N 290.323 1.614 50 30 CDGC CS(=O)(=O)c1ccc([C@@H](O)CBr)cc1 12506295 SDDHFFNZCDQTFW-VIFPVBQESA-N 279.155 1.518 50 30 CDGC CN(C)CC(C)(C)CN(C)C(=O)CBr 725270977 WLWHKJOSQSTBBU-UHFFFAOYSA-N 265.195 1.428 50 30 CDGC CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12 195849476 AKDSNJPFRALERM-LNFKQOIKSA-N 260.406 1.535 50 30 CDGC CC(C)(O)[C@@H]1CCN(C(=O)CBr)C1 616573169 QMQWBXVGWGGQGH-SSDOTTSWSA-N 250.136 1.001 50 30 CDGC CN(C)CCOC(=O)SSC(=O)OCCN(C)C 141593509 JXPYBJCOQVRKKK-UHFFFAOYSA-N 296.414 1.764 50 30 CDGC CCOC(=O)CC1(CBr)OCCO1 32198376 WDFFBKCRZJATND-UHFFFAOYSA-N 253.092 1.078 50 30 CDGC N#CC(N)=C(C#N)N=CC=Cc1ccccc1[N+](=O)[O-] 2265272005 BCEFHFNMUIVPGQ-UHFFFAOYSA-N 267.248 1.896 50 30 CDGC CC1=C(C#N)[C@@H](c2c[nH]cn2)C2=C(CCCC2=O)N1 19924842 DTHDBYSQNTUPOG-ZDUSSCGKSA-N 254.293 1.901 50 30 CDGC CC(C)(C)OC(=O)N[C@H](CCBr)C(=O)O 2580812 MNLNTCJWJBWEJJ-ZCFIWIBFSA-N 282.134 1.749 50 30 CDGC O=[P@]1(N(CCCl)CCCl)N[C@H](O)CCO1 100051348 RANONBLIHMVXAJ-KWKYVRJSSA-N 277.088 1.202 50 30 CDGC endogenous,world CCC(CC)(C(=O)CBr)C(=O)OC 238854800 PLLDMXRMGKDOCK-UHFFFAOYSA-N 251.120 1.930 50 30 CDGC CCOC(=O)[C@@](C)(CCBr)S(C)(=O)=O 117786010 DRDIKYRQXJWIIX-MRVPVSSYSA-N 287.175 1.138 50 30 CDGC NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 160494 GHYQNIYSCYPTOD-SDNWHVSQSA-N 281.315 1.447 50 30 CDGC CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN)cc1 137441 CYAUUZFONPDXKJ-UHFFFAOYSA-N 299.396 1.101 50 30 CDGC CN(C)/C=C(\C#N)C(=O)NOCc1c(F)cccc1Cl 2148635 FAZHERWXRFEFDQ-VQHVLOKHSA-N 297.717 1.996 50 30 CDGC CCOC(=O)/C(C#N)=C/Nc1ccsc1C(=O)OC 13656586 MZJUSRPQPFTAAE-BQYQJAHWSA-N 280.305 1.917 50 30 CDGC O=[N+]([O-])c1nn(CCBr)cc1Cl 69759719 NFQPQXDBQYRLGE-UHFFFAOYSA-N 254.471 1.840 50 30 CDGC CC(C)(O)[C@H]1CCN(C(=O)CBr)C1 616573174 QMQWBXVGWGGQGH-ZETCQYMHSA-N 250.136 1.001 50 30 CDGC IC[C@@H]1C[C@H]2COC[C@@H]2O1 669371615 KITVWEQNYBWYGB-ACZMJKKPSA-N 254.067 1.225 50 30 CDGC C/C(NNc1ccc([N+](=O)[O-])cc1)=C(/C#N)C(N)=S 4394729 PLXLQUKVZRUDRL-JXMROGBWSA-N 277.309 1.595 50 30 CDGC CC(=O)NNC(=O)CC(O)(c1ccccc1)c1ccccc1 1759852 ZLPKTCYXMOJGBC-UHFFFAOYSA-N 298.342 1.480 50 30 CDGC in-man COC(=O)Nc1ccccc1C(=O)NCCCl 33608473 JWVQGOOQLBZENQ-UHFFFAOYSA-N 256.689 1.834 50 30 CDGC COc1ccccc1N1CCN(C(=O)[C@@H](C)Cl)CC1 19487110 IBWLZKLBOVBADW-LLVKDONJSA-N 282.771 1.971 50 30 CDGC C=CC(=O)OCC[N+](CC)(CC)C[C@H](O)CCl 33611114 MKXLKVZOHLIQOS-LLVKDONJSA-N 264.773 1.172 50 30 CDGC FC(F)(F)[C@@H](Br)CN1CCOCC1 82863924 KFCAIQBJTHJTCZ-LURJTMIESA-N 262.069 1.644 50 30 CDGC CC[N+](CC)(C[C@H](O)CCl)C[C@@H](O)CCl 111896866 TVFRFTSTYXYXSV-AOOOYVTPSA-N 259.197 1.042 50 30 CDGC CC(C)(C)OC(=O)NCCNC(=O)CBr 34071469 VAVGQBDUTAHJEI-UHFFFAOYSA-N 281.150 1.022 50 30 CDGC CC/C(C)=N/O[Si](C)(OCCOC)OCCOC 195751573 OQQHYTNNRILIJI-VAWYXSNFSA-N 279.409 1.684 50 30 CDGC Cc1nc(C(=O)N/N=C/c2n[nH]cc2Cl)cs1 121611 KKFOBVSQMBZWNJ-KGVSQERTSA-N 269.717 1.592 50 30 CDGC IC[C@@H]1CCC2(COC2)O1 575512961 YNRPGURHBCFCHD-LURJTMIESA-N 254.067 1.369 50 30 CDGC COc1c(B(O)O)cccc1-c1cccc(F)c1F 604934419 GTUCLAXJQCJLPR-UHFFFAOYSA-N 264.036 1.320 50 30 CDGC Cc1nnsc1C(=O)NNC(=O)c1ccc(F)cc1 155005 DOSRXTBKQCATHG-UHFFFAOYSA-N 280.284 1.060 50 30 CDGC CN(C)S(=O)(=O)c1ccc(CCBr)cc1 32152691 NONGMEMNSDZFCY-UHFFFAOYSA-N 292.198 1.874 50 30 CDGC CC(=O)NC(=O)/C(C#N)=C/Nc1ccc(F)c(Cl)c1 170829 OSRHQIMVDRFFKJ-SOFGYWHQSA-N 281.674 1.961 50 30 CDGC O=C(N/N=C/c1ccc(O)cc1)c1ccccc1CO 164957 WETVVUVJVWLTBI-CXUHLZMHSA-N 270.288 1.648 50 30 CDGC CNC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4299894 NSIWESGRYXXRLU-UHFFFAOYSA-N 292.217 1.894 50 30 CDGC COc1ccc2c(c1)[C@@H](C(C#N)C#N)C(C#N)=C(N)O2 79850 CNZFIHVBHFKXSQ-CYBMUJFWSA-N 266.260 1.528 50 30 CDGC CS(=O)(=O)c1cnn(-c2nccc(CCl)c2F)c1 725252285 QJMVXVFIFQAUOA-UHFFFAOYSA-N 289.719 1.549 50 30 CDGC O=C(N/N=C/c1cccnc1)N/N=C/c1cccnc1 172051 AHWCYPOAKSNDCO-CZCYGEDCSA-N 268.280 1.144 50 30 CDGC CC(C)[C@H](Br)C(=O)N1CCC[C@H](C(N)=O)C1 19488012 UTPHXCPEWDYYKD-IUCAKERBSA-N 291.189 1.130 50 30 CDGC in-vitro CC(C)OC(=O)NCN(CCCl)CCCl 95828640 BNLIIOZJVMRXSL-UHFFFAOYSA-N 257.161 1.858 50 30 CDGC COC(=O)c1nc(OC)ccc1CBr 95763610 VCJOROCBOZFNEQ-UHFFFAOYSA-N 260.087 1.772 50 30 CDGC O=S1(=O)N=C(CBr)c2ccccc21 39209555 VOFHJUGBYKSCFK-UHFFFAOYSA-N 260.112 1.573 50 30 CDGC Cc1csc2c(SCC(=O)NN)ncnc12 82184 UNXOYPMIKTUVEO-UHFFFAOYSA-N 254.340 1.082 50 30 CDGC Cc1cc(C(=O)N/N=C/c2n[nH]cc2Br)no1 121646 TVXAETFNXRTZOS-UUILKARUSA-N 298.100 1.233 50 30 CDGC N#C/C(=C\c1cnc[nH]1)S(=O)(=O)c1cccs1 170109 JDBOKVVEGHKETB-RUDMXATFSA-N 265.319 1.810 50 30 CDGC O=NN(CCCl)C(=O)N[C@H](C(=O)O)C1CCCCC1 5181051 MPCWIZAWGSZCIC-VIFPVBQESA-N 291.735 1.952 50 30 CDGC CN(C)/C=C(\C#N)C(=O)Nc1ccc(F)c(F)c1 91061 MKTKUQMOAKESJH-BQYQJAHWSA-N 251.236 1.872 50 30 CDGC [BH3-][P@@+](OC)(c1ccccc1)c1ccccc1OC 299803325 INUSSZXNUKWDEV-GOSISDBHSA-N 260.082 1.505 50 30 CDGC IC[C@@H]1C[C@H]2COCC[C@@H]2O1 950757325 UHULEUDFQUKMTK-FXQIFTODSA-N 268.094 1.615 50 30 CDGC O=C(N[C@@H](O)C(Cl)Cl)c1ccc(F)cc1 2039763 WRQDGPXEQMJEKS-VIFPVBQESA-N 252.072 1.678 50 30 CDGC CS/C(=C(/C#N)S(=O)(=O)C(C)C)N1CCOCC1 125189 UBUUZGAKZMXIMJ-KHPPLWFESA-N 290.410 1.197 50 30 CDGC COC(=O)/C(Br)=C(\Br)C=O 95642727 DNRQHBRUBWNFEC-ONEGZZNKSA-N 271.892 1.360 50 30 CDGC CC1(C)OC[C@@H](CCI)O1 32629100 BABASTDSXZONTL-ZCFIWIBFSA-N 256.083 1.963 50 30 CDGC CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)CCN2C(C)=O 80852 WJJQFTDACJOQQY-JLHYYAGUSA-N 299.330 1.978 50 30 CDGC IC[C@@H]1C[C@]2(CCOC2)CO1 536958365 OABDZLZKSBQRFV-YUMQZZPRSA-N 268.094 1.617 50 30 CDGC Cn1c(=O)c(CBr)nc2cc(F)ccc21 47844242 KATIFUJYXJCQTN-UHFFFAOYSA-N 271.089 1.968 50 30 CDGC in-vitro O=Nc1ccc(NNC(=O)c2ccncc2)c(=O)cc1 5758366 MQDAALFMMPMHAN-UHFFFAOYSA-N 270.248 1.597 50 30 CDGC COC(=O)/C(C#N)=C/c1cccn1CCCn1ccnc1 110430 LBPIMCHZVWFDAW-JLHYYAGUSA-N 284.319 1.855 50 30 CDGC Cc1noc(-c2ccco2)c1NC(=O)NN(C)C 105978 IVPIHEJIQJGMRE-UHFFFAOYSA-N 250.258 1.841 50 30 CDGC CC(=O)NNc1ncnc2c1sc1ncccc12 171855 GBSIVGKRFGOULC-UHFFFAOYSA-N 259.294 1.703 50 30 CDGC O=c1[nH]c(=O)n(COCCCCCCCl)cc1F 39389830 FSQIZBJJWQKMJN-UHFFFAOYSA-N 278.711 1.449 50 30 CDGC COC[C@H](Br)CNC(=O)OC(C)(C)C 139934629 NKTCECKIIYBAIT-SSDOTTSWSA-N 268.151 1.921 50 30 CDGC COc1ccc(C(=O)N(N)c2ccccc2C(N)=O)cc1 86864173 REQQKOQUFZZVDN-UHFFFAOYSA-N 285.303 1.315 50 30 CDGC CC1(C)C[C@H](NC(=O)CBr)C(C)(C)N1[O] 100068906 XATKYCISCLMYBL-ZETCQYMHSA-N 278.170 1.475 50 30 CDGC CC(C)(C)OC(=O)N1CC2(CC=C(B(O)O)CC2)C1 394763869 YSEJPLQWAMWCSR-UHFFFAOYSA-N 267.134 1.346 50 30 CDGC O=C1O[C@H](CI)CC1(F)F 98095490 BROYASGEUFSTBD-VKHMYHEASA-N 261.993 1.372 50 30 CDGC in-vitro Cc1nnsc1C(=O)NNc1ccc(F)cc1 151433 SIUUHNRXMMVFSP-UHFFFAOYSA-N 252.274 1.743 50 30 CDGC CC1(C)C(CBr)=[N+]([O-])C(C)(C)N1[O] 100074215 WKVNQVWFXFZKAZ-UHFFFAOYSA-N 250.116 1.508 50 30 CDGC Cc1nnsc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 4323268 FRVZOILYNFWKIX-ONNFQVAWSA-N 297.321 1.580 50 30 CDGC CCOC(=O)C1(C(=O)OCC)C[C@@H]1CBr 196239469 HSBWSMSYVIEDQU-SSDOTTSWSA-N 279.130 1.514 50 30 CDGC O=C(NNC(=O)c1ccno1)c1cccc(Cl)c1 78476 AFAPHNSJQNTWOR-UHFFFAOYSA-N 265.656 1.403 50 30 CDGC CCN(CC)C(=O)C(Cl)(Cl)C(=O)CCl 33608807 PDMMOWMWGAVYQW-UHFFFAOYSA-N 260.548 1.837 50 30 CDGC OB(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 199620160 YYDOJFCOBUGCRB-UHFFFAOYSA-N 267.093 1.427 50 30 CDGC CC1=NN(C)/C(=C\C=C(/C#N)C(=S)N2CCCC2)O1 33955246 PWZIYLLXMZBGQQ-YDWXAUTNSA-N 276.365 1.996 50 30 CDGC IC[C@H]1CCC2(COC2)O1 575512964 YNRPGURHBCFCHD-ZCFIWIBFSA-N 254.067 1.369 50 30 CDGC Cc1cccc(N(C)Cc2ccccc2B(O)O)c1 195808767 WNZUWEHMTXCSPU-UHFFFAOYSA-N 255.126 1.311 50 30 CDGC CC(=O)N1CCN(C(=O)[C@H](Br)C(C)C)CC1 19433491 BDCVGWLQDHGSTP-SNVBAGLBSA-N 291.189 1.097 50 30 CDGC in-vitro O=C(N/N=C/c1ccncc1)N/N=C/c1ccncc1 171939 XZFTUUGVGRPZTJ-CZCYGEDCSA-N 268.280 1.144 50 30 CDGC NNC(=O)c1nc(-c2c(Cl)cccc2Cl)no1 115225 VFGQWBIVWVKGLL-UHFFFAOYSA-N 273.079 1.647 50 30 CDGC CN1C(=O)C(=NNC(=O)c2cccs2)c2ccccc21 254799338 GXKNZHZHTWQZRM-UHFFFAOYSA-N 285.328 1.859 50 30 CDGC IC[C@@H]1C[C@@]2(CCOC2)CO1 536958361 OABDZLZKSBQRFV-JGVFFNPUSA-N 268.094 1.617 50 30 CDGC O=C=N[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19427391 NQOAJKKHTDMYQV-VIFPVBQESA-N 272.351 1.237 50 30 CDGC in-vitro CN(C)N(C)C(=O)[C@]1(Cc2ccccc2)CCCNC1 143169989 HUMYVCTVABDRKT-INIZCTEOSA-N 275.396 1.534 50 30 CDGC CCOC(=O)NNC(=S)Nc1ccccc1OC 3083221 RFMLMFRMWXZMOA-UHFFFAOYSA-N 269.326 1.643 50 30 CDGC CCN(N)CCO[Si](CCc1ccccc1)(OC)OC 195896669 HQBOQTUOINGOEQ-UHFFFAOYSA-N 298.459 1.673 50 30 CDGC OC[C@@H]1CC[C@@H](CI)OC1 141467757 FJMQKILOWRBCEX-BQBZGAKWSA-N 256.083 1.209 50 30 CDGC NNC(=O)c1ccnc2cc(Br)ccc12 39119572 PBIREJNPXSANHW-UHFFFAOYSA-N 266.098 1.601 50 30 CDGC C[C@H](Br)[C@H](Br)OC[C@@H]1CO1 5735361 HIUZIZLYVGKTHZ-HCWXCVPCSA-N 273.952 1.906 50 30 CDGC COc1ccc2c(c1)C[C@H](S(=O)(=O)OO)CC2 142023505 VHUBKHYCYKGKSM-LLVKDONJSA-N 258.295 1.372 50 30 CDGC O=C(NNC(=O)c1ccc2nonc2c1)Nc1ccccc1 171032 MSPDBTTYUHXMHG-UHFFFAOYSA-N 297.274 1.689 50 30 CDGC COc1ccc(/C=N/NC(=O)c2ccc3nonc3c2)cc1 171030 CTGYWHYTOLQIPR-CXUHLZMHSA-N 296.286 1.995 50 30 CDGC CCCS(=O)(=O)/C(C#N)=C/Nc1ccccn1 100218991 GUMBAGBSNRZNOT-MDZDMXLPSA-N 251.311 1.683 50 30 CDGC CC1(C)CC(=O)O[C@@H]1CI 38241136 MVMIBCXKOSOVNS-RXMQYKEDSA-N 254.067 1.763 50 30 CDGC NNC(=O)Nc1ccc(CO[C@@H]2CCCCO2)cc1 498045355 MKTZGTXBCWPCJR-GFCCVEGCSA-N 265.313 1.725 50 30 CDGC O=C(NN=Cc1ccccc1O)Nc1ccncc1 261172621 UCDUYUHBSRPAQF-UHFFFAOYSA-N 256.265 1.943 50 30 CDGC Cc1cc(C(=O)NNc2ccc(F)cc2F)nn1C 115502 ZVKWUAYSLAZKNJ-UHFFFAOYSA-N 266.251 1.764 50 30 CDGC CN(C)C(=O)CNc1ccccc1C(=O)CCl 32133019 OYBPGKNSWQHSAP-UHFFFAOYSA-N 254.717 1.608 50 30 CDGC CO[Si](/C=C/C(C)(C)OCCCN)(OC)OC 195996867 BMVIHLQXGBMZNN-JXMROGBWSA-N 263.410 1.104 50 30 CDGC O=C(O)c1cccn2c(CBr)nnc12 2265384644 DLZYDVQEYDPJPM-UHFFFAOYSA-N 256.059 1.322 50 30 CDGC CS(=O)(=O)SCCCCCSS(C)(=O)=O 2020056 PFGFBHYQVVHELE-UHFFFAOYSA-N 292.469 1.542 50 30 CDGC in-vitro Cc1cc(=NC=C(C#N)c2nn[nH]n2)c2ccccc2[nH]1 2265279817 IDAZHGCTQCGOKX-UHFFFAOYSA-N 277.291 1.455 50 30 CDGC Nc1ccccc1C(=O)NNC(=O)c1ccccc1Cl 150173 XKWBZPONTPDRSA-UHFFFAOYSA-N 289.722 1.997 50 30 CDGC CSc1sc(C(=O)NN)c2c1[C@@H](O)CCC2 125516 GUHZRKQRQAMTPC-LURJTMIESA-N 258.368 1.443 50 30 CDGC Cc1cc(C(=O)NNC(=O)Nc2ccccc2)no1 118740 BGXPEMDKCMGJKI-UHFFFAOYSA-N 260.253 1.450 50 30 CDGC COc1ccc(CNC(=N)CSS(=O)(=O)O)cc1 31343350 OKZCLMVQKVNQTO-UHFFFAOYSA-N 290.366 1.298 50 30 CDGC CCOC(=O)N/N=C(/C(=O)OCC)C(F)(F)F 33364818 LRBCRMCXHDZOSB-XGICHPGQSA-N 256.180 1.214 50 30 CDGC Cc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1 120898 JNGJSFPPQUUNHG-UHFFFAOYSA-N 276.321 1.918 50 30 CDGC Cc1cccc(Cn2[nH]ccc2=NC(=O)CCl)c1 725325385 WYCGGLDGOPCPPN-UHFFFAOYSA-N 263.728 1.839 50 30 CDGC O=C1CC2(CCOCC2)[C@H](CI)O1 675053345 MWPRICXBJXQRLW-ZETCQYMHSA-N 296.104 1.534 50 30 CDGC N#C[C@@H](C(=O)CCl)c1nnc2n1CCCCC2 4205548 RBHUKKVETQBKJC-QMMMGPOBSA-N 252.705 1.420 50 30 CDGC Nc1nccnc1C(=O)N/N=C/c1ccc(Cl)cc1 117448 IRMIEDTWQKFTNH-REZTVBANSA-N 275.699 1.476 50 30 CDGC CS(=O)(=O)c1ccc(OCCBr)cc1 37369653 VELQWDGGOAIBKB-UHFFFAOYSA-N 279.155 1.864 50 30 CDGC in-vitro COC(=O)C1=C(C)O[C@H](CI)C1 88611456 UXXASVLAMOKINZ-LURJTMIESA-N 282.077 1.657 50 30 CDGC in-vitro CC1(C)COC[C@@H](CI)O1 116189186 KQSFPOUNRPPJCA-ZCFIWIBFSA-N 256.083 1.615 50 30 CDGC CC(C)(C)S(=O)(=O)/C(C#N)=C/Nc1ncccn1 96143 IKETXPJRBVZTRN-CMDGGOBGSA-N 266.326 1.467 50 30 CDGC CO[Si](CCCOC(=O)C(F)(F)F)(OC)OC 199519353 CCOQPNDCFRSIOZ-UHFFFAOYSA-N 276.283 1.360 50 30 CDGC O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])o1 161577 YPYIQWWPXLAYRY-NTUHNPAUSA-N 275.220 1.657 50 30 CDGC NNC(=O)CO/N=C/c1ccc(Cl)cc1Cl 3170032 OTCLTXZNYIQKLD-YIXHJXPBSA-N 262.096 1.334 50 30 CDGC CC(C)COc1ccc(B(O)O)cc1OCC(C)C 196842951 GXFNEUAHCFVNCM-UHFFFAOYSA-N 266.146 1.436 50 30 CDGC C=C(C)C(=O)OCCN(C[C@@H](O)CCl)C(C)(C)C 33611120 ZROIGOHIZGAHGX-NSHDSACASA-N 277.792 1.806 50 30 CDGC CCOC(=O)C1(C(=O)OCC)C[C@@H](CBr)O1 642879627 XANIWKFLHWXJNA-ZETCQYMHSA-N 295.129 1.035 50 30 CDGC CC[N+](CC)(C[C@H](O)CCl)C[C@H](O)CCl 111896864 TVFRFTSTYXYXSV-NXEZZACHSA-N 259.197 1.042 50 30 CDGC O=C(NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 100242793 IZZSOZWFUISQRM-ZMLRMANQSA-N 288.376 1.155 50 30 CDGC CC(C)(C)OC(=O)NCCC(=O)CBr 95642467 WFZLQFKTGRPAOA-UHFFFAOYSA-N 266.135 1.865 50 30 CDGC N#CCC(=O)N/N=C/c1coc2ccccc2c1=O 75018 LFNUULBHKBKRLH-VIZOYTHASA-N 255.233 1.157 50 30 CDGC O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1cccs1 5770473 LHRUHAFKXYEPER-VZUCSPMQSA-N 279.281 1.003 50 30 CDGC CC1=C(C#N)[C@H](c2c[nH]cn2)C2=C(CCCC2=O)N1 19924844 DTHDBYSQNTUPOG-CYBMUJFWSA-N 254.293 1.901 50 30 CDGC COC(=O)[C@H](C)CSSC[C@@H](C)C(=O)OC 71372334 ICNMSJCBUBDWIL-HTQZYQBOSA-N 266.384 1.986 50 30 CDGC CCOc1ccsc1C(=O)NNC(=O)C1CC1 82846 HOZMGZHOSZZJDT-UHFFFAOYSA-N 254.311 1.318 50 30 CDGC Cn1nccc1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1 116257 RSXXQPSNXXBYHC-MDWZMJQESA-N 277.287 1.837 50 30 CDGC CCOC(=O)C(C)(OC(=O)Cl)C(=O)OCC 34078069 VGLFNWSQUOWJQL-UHFFFAOYSA-N 252.650 1.247 50 30 CDGC NNC(=O)COc1ccc(SC(F)(F)F)cc1 93569 UJNCGSISLQLEDB-UHFFFAOYSA-N 266.244 1.667 50 30 CDGC Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 92249 WQXAHVNGFDZOEN-UHFFFAOYSA-N 289.722 1.997 50 30 CDGC O=C1N[C@@H](CI)CCCC1(F)F 958719513 KNEPHLKSQRXGBZ-RXMQYKEDSA-N 289.063 1.725 50 30 CDGC CCOCCOC(=O)OOC(=O)OCCOCC 113069441 VGZZAZYCLRYTNQ-UHFFFAOYSA-N 266.246 1.281 50 30 CDGC Cc1cc(C(=O)N/N=C/c2n[nH]cc2Cl)no1 121634 GOOBMHSGBQZAFK-UUILKARUSA-N 253.649 1.123 50 30 CDGC C[Si](C)(C)O[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)OC1=O 195772458 KZIHDJSOLDEFGJ-UWVGGRQHSA-N 292.436 1.442 50 30 CDGC NNC(=O)c1ccccc1NC(=O)c1c(F)cccc1F 79671 PNJMINZLKLGCJB-UHFFFAOYSA-N 291.257 1.821 50 30 CDGC CN(CC(=O)CBr)C(=O)OC(C)(C)C 128870045 QUBFAUMGJGGUOT-UHFFFAOYSA-N 266.135 1.817 50 30 CDGC CCc1nc2c([nH]1)[C@@H](c1ccncc1)C(C#N)=C(N)O2 138828079 ZBUKIRYZQJOJEA-NSHDSACASA-N 267.292 1.585 50 30 CDGC CC(C)(C)OC(=O)N1C[C@H](Br)C[C@@H]1C(=O)O 140574463 UWHRDAQIOFPRMI-RNFRBKRXSA-N 294.145 1.844 50 30 CDGC CC(=O)N1CCN(C(=O)[C@@H](Br)C(C)C)CC1 19433493 BDCVGWLQDHGSTP-JTQLQIEISA-N 291.189 1.097 50 30 CDGC in-vitro COc1ccc(C/C(C)=N/NC(N)=O)cc1OC 4709339 NBVRXRKMSBTYQT-RIYZIHGNSA-N 251.286 1.291 50 30 CDGC CCOC(=O)NNc1cc(Br)ncn1 642882407 XAVLVZNNUPWUCG-UHFFFAOYSA-N 261.079 1.312 50 30 CDGC IC[C@H]1C[C@@]2(CCOC2)CO1 536958359 OABDZLZKSBQRFV-HTQZYQBOSA-N 268.094 1.617 50 30 CDGC CC(=O)OCc1ccc(/C=C(\C#N)S(C)(=O)=O)o1 125657 QIWZBFMLDHIDNY-VZUCSPMQSA-N 269.278 1.252 50 30 CDGC Cc1cnc(SCc2ccc(C(=O)NN)cc2)nc1 111820857 AVHJCCUMBJUUNS-UHFFFAOYSA-N 274.349 1.681 50 30 CDGC ClC12COC(CI)(C1)C2 2265385068 WFXACPZNBQREQB-UHFFFAOYSA-N 258.486 1.962 50 30 CDGC O=C1O[C@H]2C[C@H]1CC[C@@H]2I 117977088 ALVFLEWPYOOJPZ-SRQIZXRXSA-N 252.051 1.516 50 30 CDGC NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 166781 VQAOAFRWYYKQRP-UHFFFAOYSA-N 263.244 1.183 50 30 CDGC COc1cc(C(=O)NN)c(-n2c(C)ccc2C)cc1OC 4307217 JPLRCPJBPNQIRP-UHFFFAOYSA-N 289.335 1.715 50 30 CDGC C[C@H]1CC[C@H]2[C@@H](C)C(=O)N(N)[C@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 102205878 SDPLWYWNQUROTR-IEEQXEBPSA-N 296.367 1.554 50 30 CDGC in-vitro CNS(=O)(=O)c1ccc(C(=O)CBr)cc1 148284675 UCOFLLDXKSXDLH-UHFFFAOYSA-N 292.154 1.172 50 30 CDGC CC1(C)CC(=O)N[C@@H]1CI 725343482 ULZSEJOSSQVXKS-RXMQYKEDSA-N 253.083 1.336 50 30 CDGC N#CCC(=O)NNC(=S)Nc1ccc(F)cc1 3161789 VWYDXTDRHJZYOM-UHFFFAOYSA-N 252.274 1.057 50 30 CDGC OC[C@H]1CC[C@H](CI)OC1 141468292 FJMQKILOWRBCEX-RNFRBKRXSA-N 256.083 1.209 50 30 CDGC CCOCCOCCOCCOCCBr 215525852 KWWITLCVHGZOSX-UHFFFAOYSA-N 285.178 1.468 50 30 CDGC NNC(=O)c1cc2sccc2nc1C(F)(F)F 1495728 WEAYQAFLMVTCGV-UHFFFAOYSA-N 261.228 1.919 50 30 CDGC COC(=O)[C@@H](Br)[C@@H]1COC(C)(C)O1 722198039 BVSBOVWTJOHGIM-WDSKDSINSA-N 253.092 1.074 50 30 CDGC CC(=O)Nc1cc2c(cc1C(=O)CCl)OCO2 38437329 CSZGVPCUMJDPAB-UHFFFAOYSA-N 255.657 1.795 50 30 CDGC CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@H]1COC(C)(C)O1)O[C@@H]2Cl 136201861 CVRZEBFHLBJQLI-ZJDVBMNYSA-N 278.732 1.622 50 30 CDGC O=C(NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2)c1ccncc1 100242796 IZZSOZWFUISQRM-DLOVCJGASA-N 288.376 1.155 50 30 CDGC CC1(C)O[C@@H]2[C@@H](CBr)OC(=O)[C@]2(C)O1 36431549 ALEZNYHYUVVXMM-HCVRKRLWSA-N 265.103 1.217 50 30 CDGC O=NN(CCCl)C(=O)N[C@@H](C(=O)O)C1CCCCC1 5188899 MPCWIZAWGSZCIC-SECBINFHSA-N 291.735 1.952 50 30 CDGC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NN 68577283 PHSVISKOABVNEO-SECBINFHSA-N 269.345 1.014 50 30 CDGC in-vitro CCCO[Si](OCCC)(OC(C)=O)OC(C)=O 195767016 NXDNKXIRKGNOMN-UHFFFAOYSA-N 264.350 1.401 50 30 CDGC C[C@@H]1C=C(C=O)[C@H](C=O)[C@H](O)[C@H]2CC(C)(C)C[C@@H]12 257635172 XXMVNOYKYOCDTD-KYLSFTOHSA-N 250.338 1.990 50 30 CDGC endogenous,in-man IC[C@@H]1OC[C@H]2CCO[C@@H]21 725343612 JAMMVEFARYPTSE-VQVTYTSYSA-N 254.067 1.225 50 30 CDGC CNC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1 107654 PRCAETORESYHAV-UHFFFAOYSA-N 274.280 1.224 50 30 CDGC COC(=O)c1sccc1N/C=C(\C#N)S(C)(=O)=O 18269567 SJSPADGXPRNRJJ-VOTSOKGWSA-N 286.334 1.356 50 30 CDGC CNC(=O)OCc1cccc(COC(=O)N(C)N=O)n1 5140929 HHMVHRZLPZKDRC-UHFFFAOYSA-N 282.256 1.187 50 30 CDGC C[Si](C)(C)O[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C)OC1=O 195772456 KZIHDJSOLDEFGJ-AOOOYVTPSA-N 292.436 1.442 50 30 CDGC Cc1nn(CCS(C)(=O)=O)c(C)c1CCl 38085796 XMKTYUJSDIMELK-UHFFFAOYSA-N 250.751 1.283 50 30 CDGC in-vitro CCO[C@@H](COC[C@H]1CO1)[Si](C)(OCC)OCC 604973103 PXSKCSWQLJEJNU-NWDGAFQWSA-N 278.421 1.491 50 30 CDGC CCOc1ccsc1C(=O)NNC(=O)c1ccco1 82848 LELQGBGZYGSNJV-UHFFFAOYSA-N 280.305 1.815 50 30 CDGC CCOC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 4366521 IPIBPGGPPDWCGT-UHFFFAOYSA-N 297.336 1.405 50 30 CDGC O=C1CC2(CCC2)[C@@H](CI)N1 958557764 SYRUCNLRUFLWNE-ZCFIWIBFSA-N 265.094 1.480 50 30 CDGC O=C(O)/C(=N\NC(=O)c1ccccc1)c1ccccc1 12368346 IMNJCROFAWJNCV-SSZFMOIBSA-N 268.272 1.905 50 30 CDGC CCOC(=O)CCC(=O)[C@@]1(O)CCCSS1 96341929 JBBCBYSSJPSYLU-SNVBAGLBSA-N 264.368 1.763 50 30 CDGC O=C(N/N=C/[C@@H]1COc2ccccc2C1=O)c1cccnc1 2265326440 RSBKMUQMPRUIEW-KBSHCFNASA-N 295.298 1.689 50 30 CDGC N=C(CSS(=O)(=O)O)NC1CCCCCC1 31599679 VYSJWMOSNCCCOS-UHFFFAOYSA-N 266.388 1.812 50 30 CDGC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)NN 68577285 PHSVISKOABVNEO-VIFPVBQESA-N 269.345 1.014 50 30 CDGC in-vitro CCOC(=O)/C(C#N)=C\c1ccccc1N1CCN(C)CC1 4695519 ATKRVCALWAFDID-QINSGFPZSA-N 299.374 1.908 50 30 CDGC O=C(CBr)[C@H]1COc2ccccc2O1 39253635 XHYCSCBAALGUBR-SNVBAGLBSA-N 257.083 1.790 50 30 CDGC in-vitro CCOC(=O)/C(C#N)=C/Nc1ccc(O)cc1F 93293 UHRWMDGRESPHBC-BQYQJAHWSA-N 250.229 1.914 50 30 CDGC C[C@H](Br)[C@@H](Br)OC[C@@H]1CO1 5735399 HIUZIZLYVGKTHZ-ZLUOBGJFSA-N 273.952 1.906 50 30 CDGC NS(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1 148299 VBDOEMXUOXVSSI-UHFFFAOYSA-N 291.332 1.091 50 30 CDGC O=C1O[C@@H](CI)CC12CC2 258048223 SOSUTPLVEXFOEH-RXMQYKEDSA-N 252.051 1.517 50 30 CDGC Cn1c(=O)oc2cc(C(=O)CBr)ccc21 39270245 LAUINISNXLVCFD-UHFFFAOYSA-N 270.082 1.709 50 30 CDGC Cc1nc(C(=O)NNC(=O)c2c(F)cccc2F)cs1 120942 GWWNVJJNWCTRNK-UHFFFAOYSA-N 297.286 1.805 50 30 CDGC COC(=O)c1csc(C(=O)CBr)n1 38679264 YGLQTJJQXRMSQU-UHFFFAOYSA-N 264.100 1.507 50 30 CDGC N[C@@H](CSSc1ncccc1[N+](=O)[O-])C(=O)O 5161740 SOGTULYCPNFAGT-YFKPBYRVSA-N 275.311 1.142 50 30 CDGC O=C(NNC1=NCCN1Cc1ccccc1)c1ccccc1 145448 ZNDWUNGMROPDLK-UHFFFAOYSA-N 294.358 1.793 50 30 CDGC CC(C)(C)OC(=O)NN=Cc1c(N)ncnc1Cl 254440447 IQYKZYJEZUFSMT-UHFFFAOYSA-N 271.708 1.571 50 30 CDGC N#C[C@H](C(=O)CCl)c1nnc2n1CCCCC2 4205550 RBHUKKVETQBKJC-MRVPVSSYSA-N 252.705 1.420 50 30 CDGC O=C(N/N=C/c1cccc(O)c1)N/N=C/c1cccc(O)c1 171951 WIZARTVMOYSASG-CZCYGEDCSA-N 298.302 1.765 50 30 CDGC NNC(=O)c1csc(COc2ccccc2Cl)n1 120678 CKXJAAMWMODSSP-UHFFFAOYSA-N 283.740 1.979 50 30 CDGC ICOCI 4202883 NWMAFUPEQLTLPX-UHFFFAOYSA-N 297.861 1.788 50 30 CDGC in-vitro CCC[Si](OCCOC)(OCCOC)OCCOC 195751252 SSZBHSXTJWOAJR-UHFFFAOYSA-N 296.436 1.324 50 30 CDGC CCCCCc1ccc(C(=O)NNC(N)=S)cc1 4393946 JGKUQTSRPWCILZ-UHFFFAOYSA-N 265.382 1.897 50 30 CDGC N#C/C(N)=C(\C#N)NCc1c(F)cccc1Cl 165480 OPHZQKCRUGQOSL-KHPPLWFESA-N 250.664 1.786 50 30 CDGC COC(=O)C/C(C#N)=C(\NC(N)=O)c1ccccc1 725712431 VRAFGYYLSACVKW-ZRDIBKRKSA-N 259.265 1.153 50 30 CDGC CCOC(=O)/C(C#N)=C1\N[C@H](CO)[C@H](c2ccccc2)O1 4370814 WCNYFSOZVZDMGZ-PDRVLSSUSA-N 288.303 1.007 50 30 CDGC OB(O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 584609064 HFCUSBQYXVNPIO-UHFFFAOYSA-N 283.014 1.573 50 30 CDGC CCCc1cc(=O)oc2cc(OCC(=O)NN)ccc12 90240 PXKZRGDVWDLOAR-UHFFFAOYSA-N 276.292 1.114 50 30 CDGC CC(C)(C)OC(=O)NCCSSCC(=O)O 34487688 WPJKNSBSDTWTOV-UHFFFAOYSA-N 267.372 1.977 50 30 CDGC IC[C@@H]1C[C@@H]2COCC[C@H]2O1 950757326 UHULEUDFQUKMTK-GJMOJQLCSA-N 268.094 1.615 50 30 CDGC NC(=O)[C@@]1(c2ccc(F)cc2Cl)O[C@@H]1Cl 6092032 JDNAJAXZNLKSTI-CBAPKCEASA-N 250.056 1.755 50 30 CDGC C[C@H](Br)[C@H](Br)OC[C@H]1CO1 255976409 HIUZIZLYVGKTHZ-KVQBGUIXSA-N 273.952 1.906 50 30 CDGC O=CNNc1nc(-c2ccc([N+](=O)[O-])o2)cs1 5757981 DUWYZHLZDVCZIO-UHFFFAOYSA-N 254.227 1.384 50 30 CDGC in-man CCOC(=O)OC(=O)[C@@H]1CC(C)(C)N([O])C1(C)C 100406549 FUZOZOCSBRWYFW-QMMMGPOBSA-N 258.294 1.911 50 30 CDGC CN(C)C=NNC(=O)C1CCN(Cc2ccccc2)CC1 254873533 APJVBHRUCJRLNC-UHFFFAOYSA-N 288.395 1.520 50 30 CDGC Cc1cc(SSc2cc(C)nc(N)n2)nc(N)n1 1572089 CLAPOZGLYFFUHA-UHFFFAOYSA-N 280.382 1.847 50 30 CDGC CC1(C)CC(=O)O[C@H]1CI 38241137 MVMIBCXKOSOVNS-YFKPBYRVSA-N 254.067 1.763 50 30 CDGC CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)O 2580811 MNLNTCJWJBWEJJ-LURJTMIESA-N 282.134 1.749 50 30 CDGC CC1(C)CN2C(=O)CC[C@]2(C)N(C(=O)C(Cl)Cl)C1 5762372 MHULQDZDXMHODA-LBPRGKRZSA-N 293.194 1.997 50 30 CDGC Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)n1 80510 KEYBDSOUDKXIJI-MDWZMJQESA-N 277.287 1.837 50 30 CDGC CN(NC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cn1 4306468 XFMLNDFSFPMCFR-UHFFFAOYSA-N 290.254 1.910 50 30 CDGC O=C(Cl)O[C@H]1CO[C@@H]2[C@H](OC(=O)Cl)CO[C@H]12 102226325 WXQRCZYCGISTAS-JGWLITMVSA-N 271.052 1.272 50 30 CDGC O=C(NNC(=O)c1c(F)cccc1F)c1cccnc1 138365 DUAWRUNUOKXQMO-UHFFFAOYSA-N 277.230 1.435 50 30 CDGC CCOC(=O)/C(C#N)=C/NNc1ccsc1C(=O)OC 2153812 SACGDNQOXZWIFO-BQYQJAHWSA-N 295.320 1.422 50 30 CDGC O=C1O[C@@H](CI)CC1(F)F 98095489 BROYASGEUFSTBD-GSVOUGTGSA-N 261.993 1.372 50 30 CDGC in-vitro COOC(=O)C1=C(C)S(=O)(=O)c2ccccc21 238790688 IHTHTXRSVACYBX-UHFFFAOYSA-N 254.263 1.310 50 30 CDGC CC(C)(C)[Si](C)(C)Oc1cncc(B(O)O)c1 199476070 LTZDPPIAAAILAR-UHFFFAOYSA-N 253.183 1.145 50 30 CDGC CCOC(=O)C12CC(C)(C1)O[C@@H]2CBr 2265381509 USXIZLRCHTVXCX-CUUXFQNZSA-N 263.131 1.882 50 30 CDGC CN(C)C[C@H](SS(=O)(=O)O)c1ccccc1 31392050 BPYPOPUJTIOIHL-JTQLQIEISA-N 261.368 1.825 50 30 CDGC CCOC(=O)NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 3161736 PYMWSXIKOYZNSO-FMIVXFBMSA-N 287.319 1.932 50 30 CDGC COc1ccc(NC(=O)/C(C#N)=C/N(C)C)c(OC)c1 92044 ZUWXXISCYRTZSJ-MDZDMXLPSA-N 275.308 1.611 50 30 CDGC COCOc1ccc(NC(=O)NNC(=O)OC)cc1 238854256 NEFYJGYAAGYJEP-UHFFFAOYSA-N 269.257 1.062 50 30 CDGC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC(=O)C2 100463744 VBTTVJHJPZBNRY-UHFFFAOYSA-N 283.324 1.867 50 30 CDGC IC[C@@H]1C[C@@H]2COCC[C@@H]2O1 950757324 UHULEUDFQUKMTK-CSMHCCOUSA-N 268.094 1.615 50 30 CDGC NC(=O)[C@]1(c2ccc(F)cc2Cl)O[C@H]1Cl 6092029 JDNAJAXZNLKSTI-VXNVDRBHSA-N 250.056 1.755 50 30 CDGC COC(=O)[C@@H](Br)NC(=O)OC(C)(C)C 21985184 GLLHLQFIBROKGR-YFKPBYRVSA-N 268.107 1.405 50 30 CDGC O=C1N[C@H](CI)CCCC1(F)F 958719514 KNEPHLKSQRXGBZ-YFKPBYRVSA-N 289.063 1.725 50 30 CDGC COC(=O)c1sccc1NNC(=O)/C(C)=C/C(=O)O 82926 VDABCUHITKSXSD-AATRIKPKSA-N 284.293 1.009 50 30 CDGC O=C(NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 100242773 GHSMDSWUHSMKJB-LPEHRKFASA-N 277.349 1.353 50 30 CDGC CSc1c(C#N)c(-c2cccs2)nn1CC(=O)NN 4344684 LFAMZQBRTSQWAH-UHFFFAOYSA-N 293.377 1.195 50 30 CDGC COC(=O)[C@H](Br)NC(=O)OC(C)(C)C 21985186 GLLHLQFIBROKGR-RXMQYKEDSA-N 268.107 1.405 50 30 CDGC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(B(O)O)C2 642881823 LQAWOIRTQJFHCG-UWVGGRQHSA-N 255.123 1.391 50 30 CDGC IC[C@@H]1C[C@@H]2COC[C@@H]2O1 669371618 KITVWEQNYBWYGB-VQVTYTSYSA-N 254.067 1.225 50 30 CDGC O=C(NNC(=S)c1ccco1)c1ccccc1O 26159335 DHOKMPFJEJABSE-UHFFFAOYSA-N 262.290 1.595 50 30 CDGC Cc1nnsc1C(=O)NNc1ccccc1F 151477 KESANFPUNGBKCM-UHFFFAOYSA-N 252.274 1.743 50 30 CDGC CN(C)/C=C(\C#N)C(=O)N(C)c1ccc(F)cc1F 92071 ZKLKRGMYRUXSKB-CMDGGOBGSA-N 265.263 1.897 50 30 CDGC CC(C)[C@@H](Br)C(=O)NC[C@H]1CCCO1 19474385 DIPVCGGDURKSDT-RKDXNWHRSA-N 264.163 1.701 50 30 CDGC in-vitro O=C(Cl)[C@@H]1C[C@H]2C[C@H]1C[C@H]2S(=O)(=O)CCCl 256159545 LCOLLZNVOZERDL-JQCXWYLXSA-N 285.192 1.820 50 30 CDGC O=C(Cl)[C@H]1C[C@H]2C[C@H]1C[C@@H]2S(=O)(=O)CCCl 100110693 LCOLLZNVOZERDL-KZVJFYERSA-N 285.192 1.820 50 30 CDGC O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(Cl)cc1 122604 WGUPSRXJPFKZEE-JTQLQIEISA-N 284.768 1.997 50 30 CDGC O=C1CC2(CCC2)[C@@H](CI)O1 675050859 UYUVPGJSFCBNLX-ZCFIWIBFSA-N 266.078 1.907 50 30 CDGC O=C(CBr)CNC(=O)OCc1ccccc1 95757838 MAOVWRHEZMBKKU-UHFFFAOYSA-N 286.125 1.877 50 30 CDGC COc1ccc(C/C(C#N)=C\N2CCOCC2)cc1OC 38612110 RENFBGHOGQAHSK-WYMLVPIESA-N 288.347 1.986 50 30 CDGC Cc1cc(NC(=O)OC(C)(C)C)ccc1B(O)O 642881845 VCFORZQENAEFIL-UHFFFAOYSA-N 251.091 1.022 50 30 CDGC COC(=O)c1sccc1NNC(=O)C(Cl)Cl 82240 XKBYOAOTSQMJTA-UHFFFAOYSA-N 283.136 1.782 50 30 CDGC COc1ccc(NNC(=O)c2snnc2C)cc1 148593 RHNBSFPYUYUISZ-UHFFFAOYSA-N 264.310 1.612 50 30 CDGC COC(=O)[C@H](CC(C)C)NC(=O)N(CCCl)N=O 95754993 IPNGOEYIKUFLIC-QMMMGPOBSA-N 279.724 1.506 50 30 CDGC O=C=N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19427389 NQOAJKKHTDMYQV-SECBINFHSA-N 272.351 1.237 50 30 CDGC in-vitro COC(=O)[C@H](CSC[C@@H](C)Cl)NC(C)=O 33876093 JGUYKEVAYUBJIF-SVRRBLITSA-N 253.751 1.025 50 30 CDGC OB(O)c1cc2c(OCc3ccccc3)cccc2[nH]1 199618283 NMUVHXQAEGMSLP-UHFFFAOYSA-N 267.093 1.427 50 30 CDGC Cc1nc[nH]c1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 15924136 RXTCUJUZTDGNHD-YIXHJXPBSA-N 279.281 1.452 50 30 CDGC C=CCOC[C@H](Br)COP(=O)(O)O 5157832 MHKZSDZGFSXPFG-LURJTMIESA-N 275.035 1.062 50 30 CDGC COC(=O)c1cc(OC)c(OCCCl)cc1N 44460305 OKYLJMNWFOOEKE-UHFFFAOYSA-N 259.689 1.682 50 30 CDGC COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)C#N 118168 UYUPIBHDAXXPLH-UHFFFAOYSA-N 287.275 1.833 50 30 CDGC CC1(C)COC[C@H](CI)O1 116189189 KQSFPOUNRPPJCA-LURJTMIESA-N 256.083 1.615 50 30 CDGC O=C(NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2)c1ccco1 100242777 GHSMDSWUHSMKJB-GUBZILKMSA-N 277.349 1.353 50 30 CDGC CS(=O)(=O)/C(C#N)=C/N=[S@](C)(=O)c1ccsc1 13466331 MHZMMJYZULKGQD-YXMGTMDOSA-N 290.391 1.614 50 30 CDGC O=[N+]([O-])c1ccc(CNS(=O)(=O)CCCCl)cc1 37668710 VSXGWASSFUCNRY-UHFFFAOYSA-N 292.744 1.643 50 30 CDGC COc1ccc2c(c1)[C@H](C(C#N)C#N)C(C#N)=C(N)O2 79852 CNZFIHVBHFKXSQ-ZDUSSCGKSA-N 266.260 1.528 50 30 CDGC N#C/C(=C\c1ccc[nH]1)C(=O)NCCc1ccccn1 137288 WLPHKOMZOZHVSM-ZRDIBKRKSA-N 266.304 1.676 50 30 CDGC COC(=O)[C@@H](NNC(=O)OC(C)(C)C)c1ccccc1 216638043 UQZXTAZERHKTGG-NSHDSACASA-N 280.324 1.930 50 30 CDGC Cc1nnsc1C(=O)NNc1ccc(F)cc1F 152981 YJRFPZRRRJKFKU-UHFFFAOYSA-N 270.264 1.882 50 30 CDGC CC(=O)OC(=O)[C@@H](N)CSCNc1ccc(C#N)cc1 199305516 LSXQHYCJHXPZNC-LBPRGKRZSA-N 293.348 1.078 50 30 CDGC CO[Si](CC[C@@H](N)Oc1ccccc1)(OC)OC 204887839 QRUAMIZVWCTURQ-LBPRGKRZSA-N 271.389 1.618 50 30 CDGC CC(C)S(=O)(=O)/C(C#N)=C/Nc1cccnc1 96092 CDOUSDJTMGVLSW-DHZHZOJOSA-N 251.311 1.682 50 30 CDGC O=C(N/N=C/c1ccccc1)c1ccc2nonc2c1 171025 NXECTRKVMDVBHW-OQLLNIDSSA-N 266.260 1.987 50 30 CDGC O=C1N[C@H](CI)CCC1(F)F 950757360 WZOPVIWORDDRKQ-BYPYZUCNSA-N 275.036 1.335 50 30 CDGC C=CC(=O)OCCOC(=O)Nc1cccc(CN=C=O)c1 5157553 BGJFAGLDVUUDFJ-UHFFFAOYSA-N 290.275 1.800 50 30 CDGC O=C1[C@H](Br)CCCN1CC(F)(F)F 70060865 BKEPLTVGMWTVSD-RXMQYKEDSA-N 260.053 1.935 50 30 CDGC COc1cc(C=NNC(=O)c2ccncc2)cc(C)c1O 254620589 SWOVWYVJAYNSBM-UHFFFAOYSA-N 285.303 1.868 50 30 CDGC COC1=C(Br)C(=O)O[C@H]1Br 198679932 CLPUENMDCFPCAM-SCSAIBSYSA-N 271.892 1.517 50 30 CDGC NC(=O)[C@]1(c2ccc(F)cc2Cl)O[C@@H]1Cl 6092030 JDNAJAXZNLKSTI-IONNQARKSA-N 250.056 1.755 50 30 CDGC COC(=O)NN=C(C)c1cc(OC)c(OC)cc1OC 4060121 VAIJVFUVFQYEOF-UHFFFAOYSA-N 282.296 1.792 50 30 CDGC CO[Si](CCCO[P@@](C)(=O)OC)(OC)OC 195772991 LUVQNLSOWISBKA-HNNXBMFYSA-N 272.310 1.741 50 30 CDGC CC(=O)Nc1cc(N2CCOCC2)ccc1C(=O)CCl 39124014 OUNPVDKHTZLXHO-UHFFFAOYSA-N 296.754 1.903 50 30 CDGC CS(=O)(=O)N(CCBr)Cc1ccccc1 87753511 OSRCMBOKRHEXMK-UHFFFAOYSA-N 292.198 1.843 50 30 CDGC in-vitro CO[Si](CC[C@H](N)Oc1ccccc1)(OC)OC 204887856 QRUAMIZVWCTURQ-GFCCVEGCSA-N 271.389 1.618 50 30 CDGC C[C@@H]1C=C(C=O)[C@H](C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@H]12 257635171 XXMVNOYKYOCDTD-JTDRMQGGSA-N 250.338 1.990 50 30 CDGC endogenous,in-man COC(=O)c1ccc(OC)nc1CBr 95642714 ZRMUVQCISDPWIS-UHFFFAOYSA-N 260.087 1.772 50 30 CDGC COC(=O)[C@H](Br)CNC(=O)OC(C)(C)C 96300708 RFCMKEZZBUQPDF-ZCFIWIBFSA-N 282.134 1.448 50 30 CDGC N#C/C(=C\c1ccc[nH]1)C(=O)NCc1ccncc1 137275 XFWNIQKNZDCVCD-XYOKQWHBSA-N 252.277 1.633 50 30 CDGC COC(=O)[C@H](CSC[C@H](C)Cl)NC(C)=O 33876090 JGUYKEVAYUBJIF-XPUUQOCRSA-N 253.751 1.025 50 30 CDGC O=C(N/N=C/[C@H]1COc2ccccc2C1=O)c1cccnc1 2265326439 RSBKMUQMPRUIEW-BEAUZRKQSA-N 295.298 1.689 50 30 CDGC COc1ccc2c(c1)C(=O)C(=O)N2CCCCl 42375563 GVVQICMWCJKXEW-UHFFFAOYSA-N 253.685 1.853 50 30 CDGC C[C@@H](NC(=O)OC(C)(C)C)C(=O)CBr 128161754 KJXIUKCWXXPPLD-ZCFIWIBFSA-N 266.135 1.864 50 30 CDGC O=C(Cl)[C@H]1C[C@H]2C[C@H]1C[C@H]2S(=O)(=O)CCCl 256159549 LCOLLZNVOZERDL-UYXSQOIJSA-N 285.192 1.820 50 30 CDGC Cc1nn(C)c(NNC(=O)C(C)(C)C)c1[N+](=O)[O-] 4323896 LXATXADAGMYXIT-UHFFFAOYSA-N 255.278 1.126 50 30 CDGC IC[C@H]1COCC2(CCC2)O1 757137958 OWWHNZBFHMSESO-ZETCQYMHSA-N 268.094 1.760 50 30 CDGC COC(=O)[C@@H](C)CSSC[C@H](C)C(=O)OC 71372335 ICNMSJCBUBDWIL-YUMQZZPRSA-N 266.384 1.986 50 30 CDGC C[C@H]1CC[C@H]2[C@@H](C)C(=O)N[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 102205954 LSHOKYZGSIIBMK-IEEQXEBPSA-N 281.352 1.968 50 30 CDGC in-vitro CN(C)c1ccc(/C=C(\C#N)S(C)(=O)=O)c(F)c1C#N 107743 LEMYSTZTRXYXJA-UXBLZVDNSA-N 293.323 1.672 50 30 CDGC COc1cccc(C(=O)NNC(=O)c2ccccc2N)c1 92255 GMDXYKUUDPSIIC-UHFFFAOYSA-N 285.303 1.352 50 30 CDGC NNC(=O)c1nc(-c2cccc(-n3cccc3)c2)no1 120021 DLDBYYOTAGGCIJ-UHFFFAOYSA-N 269.264 1.131 50 30 CDGC N#CC(=CNc1cccc2cccnc12)c1nn[nH]n1 2265272008 CGHUADFJAKJZGZ-UHFFFAOYSA-N 263.264 1.724 50 30 CDGC COc1ccc(C(=O)NNC(=O)c2c(C)noc2C)cc1 112128 XGJQXCZKAZWBFY-UHFFFAOYSA-N 289.291 1.375 50 30 CDGC CCOC(=O)c1cnc(NNC(C)=O)nc1C(F)(F)F 116129 PJCZKCDUUVZSDG-UHFFFAOYSA-N 292.217 1.135 50 30 CDGC COC(=O)NN=Cc1cc(Br)ccc1O 254624908 QMPIKPQSTFEMHD-UHFFFAOYSA-N 273.086 1.845 50 30 CDGC CCOC(=O)NNC(=S)Nc1cccc(OC)c1 3083248 HYBFIIMONKYMNI-UHFFFAOYSA-N 269.326 1.643 50 30 CDGC CNC(=S)NNC(=O)c1csc(-c2cccs2)n1 4394462 UMRSKHRYFSPCTG-UHFFFAOYSA-N 298.418 1.610 50 30 CDGC Cc1cccc(NC(=O)N/N=C(\N)c2cnccn2)c1 8536241 SROMSUBMPASFCD-UHFFFAOYSA-N 270.296 1.227 50 30 CDGC CCOC(=O)CC(C)(C)C(=O)CBr 4262029 PYLPLZQXKKWAFF-UHFFFAOYSA-N 251.120 1.930 50 30 CDGC COC(=O)c1c(OC)ccc(NC=C(C#N)C#N)c1OC 93179 ROEVCOXKIHJXRY-UHFFFAOYSA-N 287.275 1.833 50 30 CDGC FC(F)(F)[C@H](Br)CN1CCOCC1 82863925 KFCAIQBJTHJTCZ-ZCFIWIBFSA-N 262.069 1.644 50 30 CDGC Cn1nc(Br)c(CBr)n1 116107749 FYBZVXPUWVZDCA-UHFFFAOYSA-N 254.913 1.473 50 30 CDGC O=C(NN=Cc1ccc(F)cc1)c1csnn1 12957376 SEEZAERQTPGDHV-UHFFFAOYSA-N 250.258 1.441 50 30 CDGC O=C1N[C@@H](CI)CCC1(F)F 950757361 WZOPVIWORDDRKQ-SCSAIBSYSA-N 275.036 1.335 50 30 CDGC CN(C)/C=C(\C#N)C(=O)NCc1ccc(F)cc1F 92064 ULYVWSJXXAEISG-CSKARUKUSA-N 265.263 1.550 50 30 CDGC CC(C)(C(=O)O)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73311887 KXIUDNVQBXMHAA-YCRREMRBSA-N 279.317 1.860 50 30 CDGC CCCS(=O)(=O)/C(C#N)=C/Nc1ncccn1 96135 DHTYWJMSHKYMCA-CMDGGOBGSA-N 252.299 1.078 50 30 CDGC CC(C)(C)c1ccc(NC(=O)CSCC(=O)NN)cc1 2143936 UVJSJICRLKCMSC-UHFFFAOYSA-N 295.408 1.646 50 30 CDGC CN(C)/C=C(\C#N)c1nnc(-c2ccccn2)n1C 110475 LXDJZCDDXXJVOB-MDZDMXLPSA-N 254.297 1.303 50 30 CDGC O=C1CC2(CCOCC2)[C@@H](CI)O1 675053341 MWPRICXBJXQRLW-SSDOTTSWSA-N 296.104 1.534 50 30 CDGC FCCO[Si](OCCF)(OCCF)OCCF 195763045 LVJRGUKBVGQAIO-UHFFFAOYSA-N 280.290 1.366 50 30 CDGC CNC(=O)c1cc(C(=O)CBr)ccc1C 222904600 BBPFNPGOUOLIKC-UHFFFAOYSA-N 270.126 1.932 50 30 CDGC NNC(=O)c1csc(-c2ccc(C(F)(F)F)cn2)n1 124456 IZFHFMXFNOMXST-UHFFFAOYSA-N 288.254 1.827 50 30 CDGC CC(C)(C)OC(=O)N1CCC([C@@H]2CC(=O)OC2=O)CC1 685961599 UFNOAZUPGXAOGK-JTQLQIEISA-N 283.324 1.723 50 30 CDGC NC(=O)CCNC(=O)CCCC[C@H]1CCSS1 238790071 GCENTWSGNYMACT-VIFPVBQESA-N 276.427 1.692 50 30 CDGC CN1C(=O)Cc2cc(C(=O)CBr)ccc21 36903522 AFJRFOAVZNECKN-UHFFFAOYSA-N 268.110 1.783 50 30 CDGC in-vitro CC(C)(CC(=O)O)CC(=O)NNc1ncccc1C#N 4307633 IOKFMVVZRPRCDF-UHFFFAOYSA-N 276.296 1.287 50 30 CDGC CC1(C)C[C@H](CNC(=O)CBr)C(C)(C)N1[O] 100406652 YOXQDKDCRNAUCN-MRVPVSSYSA-N 292.197 1.722 50 30 CDGC CCCN(CCC)CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 83330977 VVMXABGKHYLKIX-NTEUORMPSA-N 296.327 1.760 50 30 CDGC Cc1cc(Br)c(OCC(=O)NN)c2c1CCC2 83723 SIBXLHIRJPZXDK-UHFFFAOYSA-N 299.168 1.615 50 30 CDGC O=C1CC2(CCC2)[C@H](CI)N1 958557763 SYRUCNLRUFLWNE-LURJTMIESA-N 265.094 1.480 50 30 CDGC CSc1sc(C(=O)NN)c2c1[C@H](O)CCC2 125512 GUHZRKQRQAMTPC-ZCFIWIBFSA-N 258.368 1.443 50 30 CDGC O=S(=O)(O)SCCNC1CCCCCC1 31391440 IIUOQVUAQZTVHA-UHFFFAOYSA-N 253.389 1.835 50 30 CDGC C=CC(=O)OCC[N+](CC)(CC)C[C@@H](O)CCl 33611113 MKXLKVZOHLIQOS-NSHDSACASA-N 264.773 1.172 50 30 CDGC CCOC(=O)/C(C#N)=C1\N[C@H](CO)[C@@H](c2ccccc2)O1 4370831 WCNYFSOZVZDMGZ-UQYIDHONSA-N 288.303 1.007 50 30 CDGC COC(=O)[C@H](Br)C(=O)c1ccc(F)cc1 100034570 YQOLFGQIZQAZKK-MRVPVSSYSA-N 275.073 1.945 50 30 CDGC CN(NC(=O)c1cccs1)c1ccc([N+](=O)[O-])cn1 4306462 YVEGYCCFNPMNNU-UHFFFAOYSA-N 278.293 1.833 50 30 CDGC N/C(=N\NC(=O)c1ccc(Cl)cc1)c1cnccn1 13658928 TZCURNDLICSWOJ-UHFFFAOYSA-N 275.699 1.180 50 30 CDGC C=CCNC(=S)NNC(=O)c1ccc2ncccc2c1 4347640 NWHXSYUXYPNZBY-UHFFFAOYSA-N 286.360 1.530 50 30 CDGC COC(=O)C1(CCl)CN(Cc2ccccc2)C1 307691890 QBKSVOVZGRLOSR-UHFFFAOYSA-N 253.729 1.900 50 30 CDGC CN(C)C=C(C=CC#N)S(=O)(=O)c1ccccc1 2265270065 JXMIWOLOIKZLRX-UHFFFAOYSA-N 262.334 1.943 50 30 CDGC CC(C)(C)OC(=O)n1ccc2c(B(O)O)c(F)cc(F)c21 200576906 JCWLKDFAQKGEOP-UHFFFAOYSA-N 297.066 1.383 50 30 CDGC in-vitro O=NN(CCCl)C(=O)NN(CCCl)CCCl 5113338 MMDWYNNMADUUBE-UHFFFAOYSA-N 291.566 1.613 50 30 CDGC CCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O 195767037 LSDYFQXXPCPBQV-UHFFFAOYSA-N 262.334 1.415 50 30 CDGC Cn1cc(C2=NC[C@@H](CI)O2)cn1 407986830 MPIILQJKBRBHBB-SSDOTTSWSA-N 291.092 1.001 50 30 CDGC N#C[C@H](C(=O)CCl)c1nc(O)c2ccccc2n1 71378546 KPQCULULVYHZNS-MRVPVSSYSA-N 261.668 1.750 50 30 CDGC CCc1nc2c([nH]1)[C@H](c1ccncc1)C(C#N)=C(N)O2 138828191 ZBUKIRYZQJOJEA-LLVKDONJSA-N 267.292 1.585 50 30 CDGC CC1(C)C[C@@H](NC(=O)CBr)C(C)(C)N1[O] 100068908 XATKYCISCLMYBL-SSDOTTSWSA-N 278.170 1.475 50 30 CDGC N/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1cnccn1 4394852 AEIAGCIHMLLHJD-UHFFFAOYSA-N 290.714 1.572 50 30 CDGC CC(C)[C@@H](Br)C(=O)N1CCC[C@H](C(N)=O)C1 19488010 UTPHXCPEWDYYKD-DTWKUNHWSA-N 291.189 1.130 50 30 CDGC in-vitro CN(NC(=O)c1cccs1)c1cnn(C)c(=O)c1Cl 92919 PADMCZZKITYUFQ-UHFFFAOYSA-N 298.755 1.276 50 30 CDGC CCOC(=O)[C@@H]1CCC[C@@H](CI)O1 725242660 QXURXFCNHSYZLB-YUMQZZPRSA-N 298.120 1.922 50 30 CDGC Cn1nc(O)cc1C(=O)N/N=C/c1ccc(Cl)cc1 164618 NSMZIDHAXCFLEF-VGOFMYFVSA-N 278.699 1.543 50 30 CDGC CCOC(=O)/C(C#N)=C/NN(C)c1ccccc1[N+](=O)[O-] 4300106 CEEDAKJCKFSBQJ-MDZDMXLPSA-N 290.279 1.506 50 30 CDGC O=C=N[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 19482954 OMGJMDWNCCDYTF-LLVKDONJSA-N 270.285 1.272 50 30 CDGC Nc1ccccc1C(=O)NNC(=O)CCc1ccc(O)cc1 150175 YKGQORRTOZXOFC-UHFFFAOYSA-N 299.330 1.368 50 30 CDGC CSc1c(C#N)c(-c2ccccc2)nn1CC(=O)NN 94881 YZPWWXIJAINTOX-UHFFFAOYSA-N 287.348 1.134 50 30 CDGC Cc1cc(-c2ccccc2)nc2oc(C(=O)NN)c(N)c12 156837 BUOPWDKWFBYEPW-UHFFFAOYSA-N 282.303 1.989 50 30 CDGC CCOC(=O)/C(C#N)=C1\N[C@@H](CO)[C@@H](c2ccccc2)O1 4370834 WCNYFSOZVZDMGZ-OLUBVHAASA-N 288.303 1.007 50 30 CDGC CCOC(=O)CCC(=O)[C@]1(O)CCCSS1 96341928 JBBCBYSSJPSYLU-JTQLQIEISA-N 264.368 1.763 50 30 CDGC CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NN)ccc12 93756 ADWMIWSMCFFCEK-SECBINFHSA-N 290.319 1.503 50 30 CDGC Cn1c([N+](=O)[O-])cnc1/C=C(\C#N)C(=O)Nc1ccccc1 92938 SKKGIMDYTDARAJ-JXMROGBWSA-N 297.274 1.874 50 30 CDGC CC1(C)CC(=O)N[C@H]1CI 725343483 ULZSEJOSSQVXKS-YFKPBYRVSA-N 253.083 1.336 50 30 CDGC CC(C)S(=O)(=O)c1csc(C(=O)NN)c1Cl 124661 UFJMBCWOADVTNU-UHFFFAOYSA-N 282.774 1.187 50 30 CDGC CC(C)(C)OC(=O)C[C@@H](Br)C(=O)O 21999517 DRYUSTNSODJZDB-RXMQYKEDSA-N 253.092 1.566 50 30 CDGC OC[C@H]1CC[C@@H](CI)OC1 141467943 FJMQKILOWRBCEX-RQJHMYQMSA-N 256.083 1.209 50 30 CDGC CCOC(=O)/C(=N\Nc1ccccc1)C(=O)CSC#N 13464267 NIFCGRJIWWJYPY-VBKFSLOCSA-N 291.332 1.801 50 30 CDGC CS(=O)(=O)/C(C#N)=C/c1sccc1C1OCCO1 107590 IKYKIWYTTBLHSV-SOFGYWHQSA-N 285.346 1.703 50 30 CDGC NNC(=O)c1cc2ncc(C(F)(F)F)cc2s1 123779 UKVBPNPTMFRMOV-UHFFFAOYSA-N 261.228 1.919 50 30 CDGC COC(=O)[C@@H](Br)CNC(=O)OC(C)(C)C 96300707 RFCMKEZZBUQPDF-LURJTMIESA-N 282.134 1.448 50 30 CDGC C[Si](C)(C)O[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)OC1=O 195772455 KZIHDJSOLDEFGJ-NXEZZACHSA-N 292.436 1.442 50 30 CDGC NNC(=O)c1c[nH]c2ccc(Br)cc12 2265356138 NDOLJZRFWNONJQ-UHFFFAOYSA-N 254.087 1.534 50 30 CDGC Cc1cc(N2CC[C@@H](Br)C2=O)n(C)n1 71790432 DMZWYOYWPUILAC-SSDOTTSWSA-N 258.119 1.229 50 30 CDGC in-vitro CCOC(=O)NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 100372787 PPCDRODALYXLGR-CIUDSAMLSA-N 255.343 1.076 50 30 CDGC N#Cc1c(C(=O)NN)nn(-c2ccccc2)c1-c1ccco1 39123616 ISHJKFVUENJXIY-UHFFFAOYSA-N 293.286 1.607 50 30 CDGC O=c1c2cnn(-c3ccccc3)c2nnn1CCl 75769064 DAKKYCKOQKHYBU-UHFFFAOYSA-N 261.672 1.174 50 30 CDGC in-vitro CSc1sc(C(=O)NN)cc1S(=O)(=O)C(C)C 3045726 UNOMVTOZRDEWPD-UHFFFAOYSA-N 294.423 1.256 50 30 CDGC O=C=NS(=O)(=O)c1ccccc1OCCCl 87492882 LGUQMNDJBRYRRA-UHFFFAOYSA-N 261.686 1.329 50 30 CDGC O=C(O)c1cc(CBr)cc(C(=O)O)c1 117364687 YURYXANPFWEPEI-UHFFFAOYSA-N 259.055 1.978 50 30 CDGC COC(=O)/C(C#N)=C1\NC(C)=NC(SC)=C1C#N 13464102 FBMFXYOPROWZPT-HJWRWDBZSA-N 262.294 1.057 50 30 CDGC NNC(=O)c1n[nH]cc1-c1ccc(Cl)cc1Cl 78102 VTYARNLEKZSRAJ-UHFFFAOYSA-N 271.107 1.987 50 30 CDGC COC(=O)[C@H](NNC(=O)OC(C)(C)C)c1ccccc1 216638087 UQZXTAZERHKTGG-LLVKDONJSA-N 280.324 1.930 50 30 CDGC O=C(CBr)c1ccc(C(F)(F)F)[nH]c1=O 12506710 UESGIORATZLCQR-UHFFFAOYSA-N 284.031 1.971 50 30 CDGC O=S(=O)(O)SCCNCCCNc1ccccc1 31331549 QFQFUYYLEUQHTP-UHFFFAOYSA-N 290.410 1.614 50 30 CDGC Cc1nnsc1C(=O)Oc1ccc([N+](=O)[O-])cc1 139025 AXFDKKBGLLWEAZ-UHFFFAOYSA-N 265.250 1.974 50 30 CDGC C[C@H](NC(=O)OC(C)(C)C)C(=O)CBr 128161521 KJXIUKCWXXPPLD-LURJTMIESA-N 266.135 1.864 50 30 CDGC N#CC(C#N)=CNNC(=O)c1ccccc1-n1cccc1 2161066 UGLUYMPPJRZYEK-UHFFFAOYSA-N 277.287 1.643 50 30 CDGC O=C1COP(=O)(N(CCCl)CCCl)OC1 100122429 DOAYEPYJDLRAPX-UHFFFAOYSA-N 276.056 1.490 50 30 CDGC CO/N=C1\CCCc2c(C(=O)NN)sc(SC)c21 4351005 RAIFKWDSTVOSJH-VGOFMYFVSA-N 285.394 1.760 50 30 CDGC C=CCOC[C@@H](Br)COP(=O)(O)O 5157847 MHKZSDZGFSXPFG-ZCFIWIBFSA-N 275.035 1.062 50 30 CDGC Cc1cc(N(CCO)CCO)ccc1C=C(C#N)C#N 5160077 XCHBWNUDMKFJDW-UHFFFAOYSA-N 271.320 1.217 50 30 CDGC C[C@H](Br)[C@@H](Br)OC[C@H]1CO1 255976408 HIUZIZLYVGKTHZ-JKUQZMGJSA-N 273.952 1.906 50 30 CDGC CC(C)[C@@H](Br)C(=O)N1CCC[C@@H](C(N)=O)C1 19488007 UTPHXCPEWDYYKD-RKDXNWHRSA-N 291.189 1.130 50 30 CDGC in-vitro O=C(Cl)[C@@H]1C[C@H]2C[C@H]1C[C@@H]2S(=O)(=O)CCCl 100110699 LCOLLZNVOZERDL-KDXUFGMBSA-N 285.192 1.820 50 30 CDGC CC(C)(C)OC(=O)NNCc1ccc(O)c(O)c1O 232508603 ZVYHQAPMXQJKOM-UHFFFAOYSA-N 270.285 1.333 50 30 CDGC IC[C@H]1CN=C(C2CC2)O1 307722329 YJSINEOMRQSQKZ-LURJTMIESA-N 251.067 1.629 50 30 CDGC IC[C@@H]1OC[C@@H]2CCO[C@@H]21 725343609 JAMMVEFARYPTSE-ACZMJKKPSA-N 254.067 1.225 50 30 CDGC NC(=O)CCNC(=O)CCCC[C@@H]1CCSS1 238790070 GCENTWSGNYMACT-SECBINFHSA-N 276.427 1.692 50 30 CDGC CCO[C@H](COC[C@@H]1CO1)[Si](C)(OCC)OCC 604973102 PXSKCSWQLJEJNU-NEPJUHHUSA-N 278.421 1.491 50 30 CDGC Cc1csc(C(=O)NNC(=O)C(Cl)Cl)c1 82620 DKEWBAPQTHCXOY-UHFFFAOYSA-N 267.137 1.621 50 30 CDGC CC(C)[C@H](Br)C(=O)N1CCC[C@@H](C(N)=O)C1 19488008 UTPHXCPEWDYYKD-BDAKNGLRSA-N 291.189 1.130 50 30 CDGC in-vitro O=C(CBr)c1cc([N+](=O)[O-])ccc1O 39953789 GNCFCEYUZGYOGC-UHFFFAOYSA-N 260.043 1.878 50 30 CDGC NNC(=O)c1ccnc2c(Br)cccc12 39119573 ZRBPOYYYLGBZKP-UHFFFAOYSA-N 266.098 1.601 50 30 CDGC CC(C)(C)S(=O)(=O)/C(C#N)=C/N=c1\cccc[nH]1 96106 DMZROMKHBDZRMS-MDZDMXLPSA-N 265.338 1.494 50 30 CDGC COC(=O)/C(C#N)=C(\NC(=O)c1ccccc1)SC 4276889 JNZIAXMTPLKMQF-ZRDIBKRKSA-N 276.317 1.688 50 30 CDGC N#C[C@@H](C(=O)CCl)c1nc(O)c2ccccc2n1 54202543 KPQCULULVYHZNS-QMMMGPOBSA-N 261.668 1.750 50 30 CDGC CC(=O)O[Si](CCCCl)(OC(C)=O)OC(C)=O 195772542 YDVQLGHYJSJBKA-UHFFFAOYSA-N 282.752 1.244 50 30 CDGC Cc1noc(-c2ccc(Cl)cc2)c1C(=O)NN 120802 SBTNPRALVUUGJK-UHFFFAOYSA-N 251.673 1.907 50 30 CDGC CCOC(=O)OC(=O)[C@H]1CC(C)(C)N([O])C1(C)C 100406551 FUZOZOCSBRWYFW-MRVPVSSYSA-N 258.294 1.911 50 30 CDGC O=S(=O)(CI)c1ccccc1 36469334 SHTPBMHHFXLYFX-UHFFFAOYSA-N 282.102 1.853 50 30 CDGC CO[Si](CCCO[P@](C)(=O)OC)(OC)OC 195772988 LUVQNLSOWISBKA-OAHLLOKOSA-N 272.310 1.741 50 30 CDGC ClCC1(CI)COCOC1 5133269 QJVXMTQDMTVBCF-UHFFFAOYSA-N 276.501 1.651 50 30 CDGC COc1c(Br)csc1C(=O)NN 82872 UODFZJNNEOYPOO-UHFFFAOYSA-N 251.105 1.123 50 30 CDGC CC1(C)O[C@@H]2[C@@H](Cl)[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]2O1 34239168 VCDDIVCAQXJYLP-JDDHQFAOSA-N 278.732 1.622 50 30 CDGC O=C(N[C@H](O)C(Cl)Cl)c1ccc(F)cc1 2039762 WRQDGPXEQMJEKS-SECBINFHSA-N 252.072 1.678 50 30 CDGC OC(Br)(Br)CBr 96347091 NUBMPIKHQPKNNS-UHFFFAOYSA-N 282.757 1.817 50 30 CDGC CC(=O)Nc1nc2c(s1)C(=O)[C@@H](Br)CC2 75172813 KNWFYNFRUJIGAG-YFKPBYRVSA-N 289.154 1.994 50 30 CDGC CC(C)(C)OC(=O)NCCSSCCO 115101162 AUJWRCFOXBKTFR-UHFFFAOYSA-N 253.389 1.885 50 30 CDGC COc1ccc2c(c1)C[C@@H](S(=O)(=O)OO)CC2 142023714 VHUBKHYCYKGKSM-NSHDSACASA-N 258.295 1.372 50 30 CDGC O=[P@]1(N(CCCl)CCCl)N[C@@H](O)CCO1 897102 RANONBLIHMVXAJ-NZFNHWASSA-N 277.088 1.202 50 30 CDGC endogenous,world C[C@H]1Oc2ccc(C(=O)CBr)cc2NC1=O 36928428 LZAFBKMTCPMZRG-ZCFIWIBFSA-N 284.109 1.984 50 30 CDGC in-vitro CN(C)CCO[Si](C)(c1ccccc1)c1ccccc1 195756848 BXEGDYPVMRTNIU-UHFFFAOYSA-N 285.463 1.954 50 30 CDGC IC[C@@H]1CN=C(C2CC2)O1 307722330 YJSINEOMRQSQKZ-ZCFIWIBFSA-N 251.067 1.629 50 30 CDGC COC[C@@H](Br)CNC(=O)OC(C)(C)C 139934493 NKTCECKIIYBAIT-ZETCQYMHSA-N 268.151 1.921 50 30 CDGC Cc1cc(N2CC[C@H](Br)C2=O)n(C)n1 71790431 DMZWYOYWPUILAC-ZETCQYMHSA-N 258.119 1.229 50 30 CDGC in-vitro CS(=O)(=O)c1ccc([C@H](O)CBr)cc1 12506293 SDDHFFNZCDQTFW-SECBINFHSA-N 279.155 1.518 50 30 CDGC in-vitro IC[C@@H]1C[C@H]2COC[C@H]2O1 669371617 KITVWEQNYBWYGB-LYFYHCNISA-N 254.067 1.225 50 30 CDGC C=CCn1c(SCC(=O)NN)nnc1-c1ccccc1 154377 XZMBUQPVIUFXFZ-UHFFFAOYSA-N 289.364 1.213 50 30 CDGC CCCCC#Cc1ccc(C(=O)NNC(=S)NC)o1 4364330 CUKZXTKQBXLMDO-UHFFFAOYSA-N 279.365 1.560 50 30 CDGC in-vivo CCOC(=O)NNC(=S)Nc1cccc(C)c1 3083217 RYHLGPWYWUNAAX-UHFFFAOYSA-N 253.327 1.943 50 30 CDGC CNC(=S)NNC(=O)c1cccn1-c1ccc(F)cc1 110695 FOOYUWYNZDIUCP-UHFFFAOYSA-N 292.339 1.355 50 30 CDGC CC(=O)N(C(C)=O)N(C)c1nc(-c2ccccc2)ns1 74772 OGPKMUKQWWCADS-UHFFFAOYSA-N 290.348 1.951 50 30 CDGC O=C(CCl)Oc1ccc(S(=O)(=O)O)cc1 2576256 STBYSJPPJFBERC-UHFFFAOYSA-N 250.659 1.078 50 30 CDGC N#CC1=C(C#N)C(=O)c2c(cccc2[N+](=O)[O-])C1=O 39215836 YJYIEHACYZGUFD-UHFFFAOYSA-N 253.173 1.318 50 30 CDGC CC(C)(C(=O)O)c1cccc(S(=O)(=O)/C=C/C#N)c1 91351698 AYVOLEZTKKRYJI-XBXARRHUSA-N 279.317 1.860 50 30 CDGC IC[C@@H]1C[C@H]2COCC[C@H]2O1 950757323 UHULEUDFQUKMTK-BIIVOSGPSA-N 268.094 1.615 50 30 CDGC O=C1N[C@@H](CI)CC12CCOCC2 950757372 XQOCYAQEUICENW-SSDOTTSWSA-N 295.120 1.107 50 30 CDGC NNC(=O)c1sccc1NC(=O)c1cccs1 35606127 LXQSWTKQZQLRTA-UHFFFAOYSA-N 267.335 1.665 50 30 CDGC CC(C)(C)NC(=O)N/N=C/c1[nH]ncc1Br 78381 BDEWXUWAYUDEPB-LFYBBSHMSA-N 288.149 1.604 50 30 CDGC CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1B(O)O 197980733 ATLRCXHGSWEPQF-UHFFFAOYSA-N 290.046 1.341 50 30 CDGC COC(=O)NN=C(C)c1ccc(-n2ccnc2)cc1 255994804 PMMXKYYFESLKBS-UHFFFAOYSA-N 258.281 1.952 50 30 CDGC O=C1[C@@H](Br)CCCN1CC(F)(F)F 70060864 BKEPLTVGMWTVSD-YFKPBYRVSA-N 260.053 1.935 50 30 CDGC CC1(C)C[C@@H](CNC(=O)CBr)C(C)(C)N1[O] 100406654 YOXQDKDCRNAUCN-QMMMGPOBSA-N 292.197 1.722 50 30 CDGC CC(C)(C)OC(=O)N1CCC([C@H]2CC(=O)OC2=O)CC1 685961608 UFNOAZUPGXAOGK-SNVBAGLBSA-N 283.324 1.723 50 30 CDGC COc1ccc(C(=O)N/N=C(/C(=O)O)c2ccccc2)cc1 3120803 XFWTXZXYNLWLRX-SAPNQHFASA-N 298.298 1.914 50 30 CDGC CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O 196785183 AKDSNJPFRALERM-LMLFDSFASA-N 260.406 1.535 50 30 CDGC COC(=O)C1=C(C)O[C@@H](CI)C1 88611455 UXXASVLAMOKINZ-ZCFIWIBFSA-N 282.077 1.657 50 30 CDGC in-vitro CC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1 107656 ZSUIDUQLGWLDHC-UHFFFAOYSA-N 259.265 1.431 50 30 CDGC N/C(=N\NC(=O)c1ccccc1Cl)c1cnccn1 4394829 ACXCWRGZGZTJOI-UHFFFAOYSA-N 275.699 1.180 50 30 CDGC CS/C(=C(/C#N)S(=O)(=O)C(C)C)N1CCCC1 125192 PUUJLBGZXVACMA-KHPPLWFESA-N 274.411 1.961 50 30 CDGC COC(=O)[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccccc1 196902431 VYPQMKXYTBNPQW-QWRGUYRKSA-N 267.712 1.568 50 30 CDGC CS(=O)(=O)/C(C#N)=C/N=[S@@](C)(=O)c1ccsc1 100216819 MHZMMJYZULKGQD-FSNWXROXSA-N 290.391 1.614 50 30 CDGC IC[C@@H]1COCC2(CCC2)O1 757137954 OWWHNZBFHMSESO-SSDOTTSWSA-N 268.094 1.760 50 30 CDGC O=C1O[C@H](CI)CC12CC2 258048228 SOSUTPLVEXFOEH-YFKPBYRVSA-N 252.051 1.517 50 30 CDGC O=C1NC(=O)[C@H](Cl)[C@H]1c1ccc(Br)cc1 98209857 DIPCPOHTPIZUSJ-HTQZYQBOSA-N 288.528 1.797 50 30 CDGC CN1C(=O)C(=NNC(=O)c2ccncc2)c2ccccc21 254714255 HSKABAANHZJCGO-UHFFFAOYSA-N 280.287 1.192 50 30 CDGC CC1(C)O[C@@H]2C=C[C@H](Br)[C@H]3OC(=O)[C@]32O1 2265352194 VKPMGKHCUCLUPC-MPXCPUAZSA-N 275.098 1.135 50 30 CDGC CNC(=O)NNC(=O)c1csc(Cc2ccsc2)n1 12367519 AVXRVKNQFFVMSQ-UHFFFAOYSA-N 296.377 1.369 50 30 CDGC C[C@@H]1Oc2ccc(C(=O)CBr)cc2NC1=O 36928429 LZAFBKMTCPMZRG-LURJTMIESA-N 284.109 1.984 50 30 CDGC in-vitro CCOC(=O)N/N=C(C)/C(C)=N/NC(=O)OCC 4390424 XRRFKSZWLPESKY-MKICQXMISA-N 258.278 1.230 50 30 CDGC OC[C@@H]1CC[C@H](CI)OC1 141468111 FJMQKILOWRBCEX-NKWVEPMBSA-N 256.083 1.209 50 30 CDGC CC1(C)CC(=O)CC(=NNC(=O)c2ccncc2)C1 254647378 YWLOJJVJYQBSDP-UHFFFAOYSA-N 259.309 1.947 50 30 CDGC C/C(=N\NC(=O)/C=C/C(=O)O)c1ccc([N+](=O)[O-])cc1 12339482 OPKVMGMYQMDJET-GTTXMNNRSA-N 277.236 1.076 50 30 CDGC IC[C@@H]1OC[C@@H]2CCO[C@H]21 725343611 JAMMVEFARYPTSE-LYFYHCNISA-N 254.067 1.225 50 30 CDGC C=C(C)C(=O)OCC[N+](CC)(CC)C[C@@H](O)CCl 33610852 FZGZEOYZRFFONW-LBPRGKRZSA-N 278.800 1.562 50 30 CDGC O=C(CBr)[C@@H]1COc2ccccc2O1 2540086 XHYCSCBAALGUBR-JTQLQIEISA-N 257.083 1.790 50 30 CDGC in-vitro C[C@@H]1C=C(C=O)[C@H](C=O)[C@H](O)[C@@H]2CC(C)(C)C[C@@H]12 257635173 XXMVNOYKYOCDTD-RMTQGBGSSA-N 250.338 1.990 50 30 CDGC endogenous,in-man COc1cc(/C=C(\C#N)C(=O)O)cc(OC)c1OC 163669 JFRKQRNPLPJBQG-RUDMXATFSA-N 263.249 1.704 50 30 CDGC COc1cc(C=NC(C#N)=C(N)C#N)cc(OC)c1OC 2265272048 LKYFAOOOYGQZSO-UHFFFAOYSA-N 286.291 1.349 50 30 CDGC NNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 390058008 PZIFEARPMBBIMN-UHFFFAOYSA-N 254.595 1.842 50 30 CDGC CC(=O)Nc1ccc(C=NC(C#N)=C(N)C#N)cc1 2265272062 QBIAFGPIWJRQQP-UHFFFAOYSA-N 253.265 1.281 50 30 CDGC O=C(NNC(=O)c1cccs1)c1ccc2nonc2c1 171037 NOXFBVDVQNFCFY-UHFFFAOYSA-N 288.288 1.359 50 30 CDGC O=C(CI)NCCc1ccccc1 45922072 AAPOELDYPINJTH-UHFFFAOYSA-N 289.116 1.780 50 30 CDGC NNC(=O)CSc1ncnc2sc3c(c12)CCCC3 116433 DBJAUOMWOBUUGX-UHFFFAOYSA-N 294.405 1.652 50 30 CDGC Cc1cccc(C(=O)NP(=O)(N2CC2)N2CC2)c1 95854787 JFZNRSUAWLULBX-UHFFFAOYSA-N 265.253 1.464 50 30 CDGC NNC(=O)c1nc(-c2c(F)cccc2Cl)no1 115529 UJCNRAHNLOOMOT-UHFFFAOYSA-N 256.624 1.133 50 30 CDGC O=C(NNC(=O)c1ccno1)c1ccc(Cl)cc1 78478 PMIKTQUAJKMUAX-UHFFFAOYSA-N 265.656 1.403 50 30 CDGC COC(=O)[C@H](C)CSSC[C@H](C)C(=O)OC 71372333 ICNMSJCBUBDWIL-OCAPTIKFSA-N 266.384 1.986 50 30 CDGC CCOC(=O)/C(C#N)=C1\N[C@@H](CO)[C@H](c2ccccc2)O1 174269 WCNYFSOZVZDMGZ-UBZWLNIWSA-N 288.303 1.007 50 30 CDGC N/C(=N\NC(=O)Nc1ccccc1)c1ccccn1 13110634 QKWPOOOLYRSMDG-UHFFFAOYSA-N 255.281 1.524 50 30 CDGC O=C(NNC(=O)[C@H]1CCCS1)c1ccc(Cl)cc1 122601 WGUPSRXJPFKZEE-SNVBAGLBSA-N 284.768 1.997 50 30 CDGC CCOC(=O)/C(C#N)=C/NNc1ccc([N+](=O)[O-])cc1 4335980 CQJCUCCOQUJJMO-CMDGGOBGSA-N 276.252 1.482 50 30 CDGC CCOC(=O)/C(C#N)=C/Nc1ccsc1C(N)=O 80580 LFRGFQPGDWCUOJ-VOTSOKGWSA-N 265.294 1.229 50 30 CDGC CCOc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 143863 LNAXRWQQNLDLCL-SDNWHVSQSA-N 286.331 1.851 50 30 CDGC CN(NC(=O)/C=C/C(=O)O)c1cc(C(F)(F)F)ccn1 3127597 VQBYTACGTBVZJE-NSCUHMNNSA-N 289.213 1.209 50 30 CDGC CC(C)[C@H](Br)C(=O)NC[C@@H]1CCCO1 19474384 DIPVCGGDURKSDT-IUCAKERBSA-N 264.163 1.701 50 30 CDGC in-vitro N#CCC(=O)NNC(=S)NC1CCCCCC1 4335983 FPXOYHTUONRVLC-UHFFFAOYSA-N 254.359 1.118 50 30 CDGC COC(=O)c1scc(C)c1NNC(=O)C(F)(F)F 82257 HMXUOPUENLNNET-UHFFFAOYSA-N 282.243 1.849 50 30 CDGC CCOC(=O)CC(=NNC(=O)CC#N)c1ccccc1 2265276495 NZGWHWIZJLVVFM-UHFFFAOYSA-N 273.292 1.374 50 30 CDGC COCCO/C=C(\OCCOC)[C@@H](Cl)N(C)C 199888255 SDDMTDJZJDUYPK-JUDLJHIGSA-N 267.753 1.280 50 30 CDGC CC(C)(C)OC(=O)NN[C@H](C(=O)O)c1ccccc1 197523167 QRCFNNXHIHBTMJ-JTQLQIEISA-N 266.297 1.842 50 30 CDGC CC(=O)N1CCc2cc(NC=C(C#N)C#N)ccc21 80848 JJBSKLADNXKBGU-UHFFFAOYSA-N 252.277 1.939 50 30 CDGC Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 144256 LDIBAIIUAFQXCL-CAOOACKPSA-N 283.287 1.761 50 30 CDGC O=C1N[C@H](CI)CC12CCOCC2 950757373 XQOCYAQEUICENW-ZETCQYMHSA-N 295.120 1.107 50 30 CDGC CCN(c1nncs1)P(=O)(N1CC1)N1CC1 8214495 HRXVDDOKERXBEY-UHFFFAOYSA-N 259.275 1.104 50 30 CDGC in-man CCOC(=O)/C(C#N)=C/Nc1nnc(SCC#N)s1 2157599 XLYBWEXVVOZTSW-VOTSOKGWSA-N 295.349 1.536 50 30 CDGC O=S(=O)(O)SCCNCCc1ccccc1 31297818 OPXLJUFZIAHIOA-UHFFFAOYSA-N 261.368 1.355 50 30 CDGC O=C(CBr)CCNC(=O)C(F)(F)F 128879521 FITACOZPCVCHOF-UHFFFAOYSA-N 262.025 1.019 50 30 CDGC CC(C)S(=O)(=O)/C(C#N)=C/Nc1ncccn1 96184 YOGONTUKUUFJEW-VQHVLOKHSA-N 252.299 1.077 50 30 CDGC CN1C[C@H](C(=O)NN)C=C2c3cccc4[nH]cc(c34)C[C@H]21 35567178 UUYMPWWTAQZUQB-QMTHXVAHSA-N 282.347 1.028 50 30 CDGC in-vitro C[C@@H]1C=C(C=O)[C@H](C=O)[C@H](O)[C@H]2CC(C)(C)C[C@H]12 85876791 XXMVNOYKYOCDTD-QKGWFMCXSA-N 250.338 1.990 50 30 CDGC endogenous,in-man CCOC(=O)C1(C(=O)OCC)C[C@H]1CBr 196239476 HSBWSMSYVIEDQU-ZETCQYMHSA-N 279.130 1.514 50 30 CDGC CC(C)(C)c1ccc(-c2noc(C(=O)NN)n2)cc1 115314 VCNKWJYUMPASMU-UHFFFAOYSA-N 260.297 1.638 50 30 CDGC CC(C)[C@@H](Br)C(=O)NC[C@@H]1CCCO1 19474383 DIPVCGGDURKSDT-DTWKUNHWSA-N 264.163 1.701 50 30 CDGC in-vitro CC[N+](CC)(C[C@@H](O)CCl)C[C@@H](O)CCl 111896868 TVFRFTSTYXYXSV-UWVGGRQHSA-N 259.197 1.042 50 30 CDGC Cc1nnsc1C(=O)NNC(=O)C1CCCCC1 155009 VDYHBHIRNXLJGW-UHFFFAOYSA-N 268.342 1.188 50 30 CDGC COC(=O)[C@@H](I)C(F)(F)F 8698398 IORDRIVETCCBSG-UWTATZPHSA-N 267.972 1.525 50 30 CDGC C=CC(=O)N(CCSSCCN)C(=O)C=C 83407029 HFGVZFZKVOBHAQ-UHFFFAOYSA-N 260.384 1.054 50 30 CDGC O=C(NNCCCc1ccccc1)c1ccncc1 2019871 AOEACXXCOFFKKF-UHFFFAOYSA-N 255.321 1.949 50 30 CDGC COC(=O)[C@H](I)C(F)(F)F 8698397 IORDRIVETCCBSG-REOHCLBHSA-N 267.972 1.525 50 30 CDGC CCOC(=O)C1(C(=O)OCC)C[C@H](CBr)O1 642879626 XANIWKFLHWXJNA-SSDOTTSWSA-N 295.129 1.035 50 30 CDGC CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NN)ccc12 93752 ADWMIWSMCFFCEK-VIFPVBQESA-N 290.319 1.503 50 30 CDGC O=[P@@]1(N(CCCl)CCCl)N[C@@H](O)CCO1 897095 RANONBLIHMVXAJ-ZIDLFYJRSA-N 277.088 1.202 50 30 CDGC endogenous,world Cc1cc(N2CCOCC2)n2nc(CCl)nc2n1 49452731 AWCDFXXNPAXJBL-UHFFFAOYSA-N 267.720 1.008 50 30 CDGC O=C(Nc1[nH]ncc1Br)C(Cl)Cl 1026197 LADRFWUCCBNWBG-UHFFFAOYSA-N 272.917 1.914 50 30 CDGC C=C(C)C(=O)OCCN(C[C@H](O)CCl)C(C)(C)C 33611121 ZROIGOHIZGAHGX-LLVKDONJSA-N 277.792 1.806 50 30 CDGC CCOC(=O)/C(C#N)=C/N(C)/N=C/c1ccccc1 3129269 LOLSIQDHBZSPBL-BACKHADUSA-N 257.293 1.923 50 30 CDGC NC(=O)[C@@]1(c2ccc(F)cc2Cl)O[C@H]1Cl 6092031 JDNAJAXZNLKSTI-APPZFPTMSA-N 250.056 1.755 50 30 CDGC Cn1cc(C2=NC[C@H](CI)O2)cn1 407986832 MPIILQJKBRBHBB-ZETCQYMHSA-N 291.092 1.001 50 30 CDGC S=C=NCCOCCOCCOCCN=C=S 137667883 UPJJUEGIVKIWSI-UHFFFAOYSA-N 276.383 1.242 50 30 CDGC COCCO/C=C(\OCCOC)[C@H](Cl)N(C)C 199888279 SDDMTDJZJDUYPK-DWOQACPDSA-N 267.753 1.280 50 30 CDGC CCO[Si](CCCNCCC(=O)O)(OCC)OCC 196993989 MVQOZZBMHPLEMF-UHFFFAOYSA-N 293.436 1.489 50 30 CDGC IC[C@@H]1C[C@@H]2COC[C@H]2O1 669371616 KITVWEQNYBWYGB-DSYKOEDSSA-N 254.067 1.225 50 30 CDGC CSc1nc(C)nc(N/C=C(\C#N)C(=O)C2CC2)n1 3083017 WTSMOVCSCGIDTK-RMKNXTFCSA-N 275.337 1.700 50 30 CDGC COC1=C(Br)C(=O)O[C@@H]1Br 198679910 CLPUENMDCFPCAM-BYPYZUCNSA-N 271.892 1.517 50 30 CDGC C/C(=N\C(=O)NN)c1cnn(-c2ccccc2)c1C 100254272 HDEZQINADVQCCA-CXUHLZMHSA-N 257.297 1.573 50 30 CDGC CCOC(=O)/C(C#N)=C/NN(C)c1cccc(F)c1C#N 2161410 SKILVSLWSJLRPH-MDZDMXLPSA-N 288.282 1.609 50 30 CDGC CC(C)(C)OC(=O)N1[C@H]2C=C(B(O)O)C[C@H]1CC2 642881841 UPIWLOIVOXXOGF-NXEZZACHSA-N 253.107 1.097 50 30 CDGC NS(=O)(=O)c1ccc(NNC(=O)c2cccs2)cc1 148295 LGHRLRSRBFTNRZ-UHFFFAOYSA-N 297.361 1.152 50 30 CDGC CC(C)[C@H](Br)C(=O)NC[C@H]1CCCO1 19474387 DIPVCGGDURKSDT-BDAKNGLRSA-N 264.163 1.701 50 30 CDGC in-vitro IC[C@@H]1OC[C@H]2CCO[C@H]21 725343610 JAMMVEFARYPTSE-DSYKOEDSSA-N 254.067 1.225 50 30 CDGC CC1(C)OC[C@H](CCI)O1 32629102 BABASTDSXZONTL-LURJTMIESA-N 256.083 1.963 50 30 CDGC CC(C)(C)S(=O)(=O)/C(C#N)=C/NN1CCCCC1 124941 ZQAWWSINNBCEGN-ZHACJKMWSA-N 271.386 1.555 50 30 CDGC CCOC(=O)NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2 100372784 PPCDRODALYXLGR-XHNCKOQMSA-N 255.343 1.076 50 30 CDGC COc1ccc(C=NNC(=O)C(C#N)=CN(C)C)cc1 2265271947 OBLJGKKVSUIYMR-UHFFFAOYSA-N 272.308 1.114 50 30 CDGC COC(=O)[C@@H](Br)C(=O)c1ccc(F)cc1 100034577 YQOLFGQIZQAZKK-QMMMGPOBSA-N 275.073 1.945 50 30 CDGC CC(=O)Nc1nc2c(s1)C(=O)[C@H](Br)CC2 75172811 KNWFYNFRUJIGAG-RXMQYKEDSA-N 289.154 1.994 50 30 CDGC O=[P@@]1(N(CCCl)CCCl)N[C@H](O)CCO1 897103 RANONBLIHMVXAJ-MLXNANBUSA-N 277.088 1.202 50 30 CDGC endogenous,world CS/C(=C(\C#N)C(=O)C1CC1)N1CCOCC1 95812 LQBVYCJFNMTTHB-ZRDIBKRKSA-N 252.339 1.396 50 30 CDGC O=C(O)[C@H]1[C@H]2CC3(OCCO3)[C@@H]1C[C@H]2Br 223593625 PSQMIZSQDUTASM-OSMVPFSASA-N 277.114 1.234 50 30 CDGC O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc[nH]1 111556 TYXNOMVMOIHBOW-UHFFFAOYSA-N 278.312 1.785 50 30 CDGC CCO[C@@H](COC[C@@H]1CO1)[Si](C)(OCC)OCC 604973105 PXSKCSWQLJEJNU-VXGBXAGGSA-N 278.421 1.491 50 30 CDGC O=CNNC(=O)c1cc2sccc2nc1C(F)(F)F 1740575 RISVCUQQHGNFRR-UHFFFAOYSA-N 289.238 1.706 50 30 CDGC CCOC(=O)C(CC)(CC)C(C)=NNC(=O)CC#N 254744926 HYXVGEARZPTPMI-UHFFFAOYSA-N 267.329 1.762 50 30 CDGC CCOC(=O)C12CC(C)(C1)O[C@H]2CBr 2265381510 USXIZLRCHTVXCX-WFRXLMHJSA-N 263.131 1.882 50 30 CDGC COc1ccc(N/C=C(\C#N)C(=O)NC(C)=O)cc1 170807 JTINSQXXARCVAG-CSKARUKUSA-N 259.265 1.177 50 30 CDGC COC(=O)c1cc(OC)ncc1CBr 95642708 NUCYFPXFSGPOHP-UHFFFAOYSA-N 260.087 1.772 50 30 CDGC CS(=O)(=O)CCCCI 140870750 QOKUCQSLILROMW-UHFFFAOYSA-N 262.112 1.246 50 30 CDGC O=C(NC1(C(=O)CBr)CC1)C(F)(F)F 129014672 WSCDFOYZHPAMKO-UHFFFAOYSA-N 274.036 1.162 50 30 CDGC O=C1c2ccccc2C(=O)N1CCOCCBr 39375117 GGPKLSIJFKJZJN-UHFFFAOYSA-N 298.136 1.694 50 30 CDGC O=C=N[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 19482956 OMGJMDWNCCDYTF-NSHDSACASA-N 270.285 1.272 50 30 CDGC IC[C@H]1C[C@]2(CCOC2)CO1 536958363 OABDZLZKSBQRFV-SFYZADRCSA-N 268.094 1.617 50 30 CDGC CCOC(=O)NNC(=S)Nc1cccc(F)c1 3841541 HJPFQSZUBXIAQO-UHFFFAOYSA-N 257.290 1.773 50 30 CDGC O=C1CC2CC(CI)(C2)N1 950757525 NUJQHMXIGJKYGX-UHFFFAOYSA-N 251.067 1.090 50 30 CDGC N#Cc1cccnc1NNC(=O)c1ccccc1C(=O)O 151310 UQQPNJMBAFXSLH-UHFFFAOYSA-N 282.259 1.408 50 30 CDGC CN1C(=O)c2cccc(N(C)C(=O)Cl)c2C1=O 5966048 MTSOAQJOFMUHQI-UHFFFAOYSA-N 252.657 1.707 50 30 CDGC Cc1[nH]nc(C(=O)NNc2cccc(Cl)c2)c1N 33884570 QGXMGKAXJKCBLX-UHFFFAOYSA-N 265.704 1.711 50 30 CDGC Cc1cc(C(=O)NNC(=O)C(F)(F)F)ccc1[N+](=O)[O-] 81131 FSFUJOZZNGCJQQ-UHFFFAOYSA-N 291.185 1.227 50 30 CDGC CN(NC(=O)c1ccccc1F)c1ncccc1[N+](=O)[O-] 4306537 NLGHRWMESSVOQS-UHFFFAOYSA-N 290.254 1.910 50 30 CDGC COC(=O)c1cnoc1CI 238853358 JIAFOZWRYOAUKA-UHFFFAOYSA-N 267.022 1.396 50 30 CDGC CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(OC)cc1 100215754 BPALQSKBEZDFPE-MDZDMXLPSA-N 289.291 1.787 50 30 CDGC NNC(=O)Nc1ccc(CO[C@H]2CCCCO2)cc1 498045364 MKTZGTXBCWPCJR-LBPRGKRZSA-N 265.313 1.725 50 30 CDGC CCO[C@H](COC[C@H]1CO1)[Si](C)(OCC)OCC 604973104 PXSKCSWQLJEJNU-RYUDHWBXSA-N 278.421 1.491 50 30 CDGC O=C1N[C@@]2(CI)CC[C@H]1C2 725262440 CGCQKESGPWBDIO-FSPLSTOPSA-N 251.067 1.090 50 30 CDGC CC1(C)CN2C(=O)CC[C@@]2(C)N(C(=O)C(Cl)Cl)C1 5762373 MHULQDZDXMHODA-GFCCVEGCSA-N 293.194 1.997 50 30 CDGC CCNC(=O)/C(C#N)=C/c1cccc(OC)c1OC 98937 NZDIXUWZOYWWAK-DHZHZOJOSA-N 260.293 1.747 50 30 CDGC O=C1CC2(CCC2)[C@H](CI)O1 675050858 UYUVPGJSFCBNLX-LURJTMIESA-N 266.078 1.907 50 30 CDGC CC(C)(C)OC(=O)NN[C@@H](C(=O)O)c1ccccc1 197523180 QRCFNNXHIHBTMJ-SNVBAGLBSA-N 266.297 1.842 50 30 CDGC C=C(C)C(=O)OCC[N+](CC)(CC)C[C@H](O)CCl 33610853 FZGZEOYZRFFONW-GFCCVEGCSA-N 278.800 1.562 50 30 CDGC CCOC(=O)C1=C(C)NC(=C2C=CC(=O)C(C#N)=C2)S1 2265369648 WZDJUNGPFLAJAM-UHFFFAOYSA-N 288.328 1.918 50 30 CDGC