smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1-c1cccc(/C=C(/C#N)c2ccccn2)c1 729641747 VRVSMVABCPJBCR-RGEXLXHISA-N 296.373 5.121 50 20 CKGD FC1(CNc2cccc(S(F)(F)(F)(F)F)c2)CC1 793081703 HXRWKDURFQBMRA-UHFFFAOYSA-N 291.260 5.258 50 20 CKGD N#C/C(=C\c1ccsc1Cl)c1ccc2ccccc2n1 790218366 NIXJWRJWTABRFE-UKTHLTGXSA-N 296.782 5.014 50 20 CKGD N#C/C(=C/c1cscc1Cl)c1ccc2ccccc2n1 771858649 JWMCETNAOGMRTI-GHXNOFRVSA-N 296.782 5.014 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2coc3ccccc23)n1 160229659 YJEQITHFHOEZPR-KPKJPENVSA-N 294.379 5.077 50 20 CKGD CC(=C/c1ccccc1)/C=C(/C#N)c1ccc2ccccc2n1 750914295 VLFMNTQOULDBCO-QAHWWWBRSA-N 296.373 5.245 50 20 CKGD C[C@@H]1C[C@H]1CNc1cccc(S(F)(F)(F)(F)F)c1 707852341 BNLSJAFIDZPPMZ-BDAKNGLRSA-N 287.297 5.412 50 20 CKGD N#C/C(=C/c1ccccc1C1CC1)c1nccc2ccccc12 790229291 XDMAHHTTZCNZLV-AQTBWJFISA-N 296.373 5.176 50 20 CKGD CC(/C=C(/C#N)c1nc(C(C)C)cs1)=C\c1ccccc1 747439207 AIRJZENAONTTRJ-MTMVPLOESA-N 294.423 5.277 50 20 CKGD Cc1nc(/C(C#N)=C\c2csc3ccccc23)sc1C 125419355 WDOIEPYQFJCNDO-GHXNOFRVSA-N 296.420 5.039 50 20 CKGD COc1ccccc1O[Si](C(C)C)(C(C)C)C(C)C 196947319 RCNFTMXIWYUBBT-UHFFFAOYSA-N 280.484 5.250 50 20 CKGD N#C/C(=C/c1ccsc1Cl)c1nccc2ccccc12 790228855 SJFSLBMFPXPKIP-LCYFTJDESA-N 296.782 5.014 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)s2)n1 255046549 KFNUDCAUDPRCAM-UITAMQMPSA-N 294.832 5.046 50 20 CKGD CCCCCCCCOC1(CBr)CCCC1 109318314 PYMWGJTUPHCDCP-UHFFFAOYSA-N 291.273 5.071 50 20 CKGD CCCCCCC[C@@H](CBr)CCCCC 117721488 DDWZTZDZRNVURY-AWEZNQCLSA-N 277.290 5.938 50 20 CKGD N#C/C(=C\c1ccc(Cl)s1)c1nccc2ccccc12 790228876 UDCGBVDAHAFRES-FMIVXFBMSA-N 296.782 5.014 50 20 CKGD CC1CC(Nc2cccc(S(F)(F)(F)(F)F)c2)C1 690222359 ZUIKMPLVYOFJOH-UHFFFAOYSA-N 287.297 5.554 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2ccsc2Cl)n1 790099413 GJHOPGUBAXGRQF-BJMVGYQFSA-N 294.832 5.046 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2ccc3occc3c2)n1 794692993 ZGTQFCDSSCNOQY-RIYZIHGNSA-N 294.379 5.077 50 20 CKGD CCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 180335150 QUTHRFAJZPPUPP-UHFFFAOYSA-N 289.269 5.083 50 20 CKGD Cc1csc(/C(C#N)=C/c2ccc(C3CCCC3)cc2)n1 812241093 CIDHACTYFAKLNV-LICLKQGHSA-N 294.423 5.173 50 20 CKGD C[C@H]1CC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1 690221472 FJDCGPSSHPFTIU-GZMMTYOYSA-N 287.297 5.554 50 20 CKGD FCCCCNc1cccc(S(F)(F)(F)(F)F)c1 690183600 DLXCPBQLSVLPLI-UHFFFAOYSA-N 293.276 5.506 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NCc2ccco2)c1 186496574 VQXHNSKIIMVKLF-UHFFFAOYSA-N 299.264 5.549 50 20 CKGD C=C(C)CCNc1cccc(S(F)(F)(F)(F)F)c1 690198294 DQPXHYNRZWUVPW-UHFFFAOYSA-N 287.297 5.722 50 20 CKGD N#C/C(=C\c1sccc1Cl)c1nccc2ccccc12 782355099 SDZIAFDUBPPWHR-FMIVXFBMSA-N 296.782 5.014 50 20 CKGD CC(C)Nc1cccc(S(F)(F)(F)(F)F)c1 186147666 PRBDSZYBBMTSIJ-UHFFFAOYSA-N 261.259 5.164 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2cscc2Cl)n1 771839116 TXZSCUBVNVLJAD-OQFOIZHKSA-N 294.832 5.046 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NCCC2CC2)c1 690198858 GHPWBYICSURQRO-UHFFFAOYSA-N 287.297 5.556 50 20 CKGD N#C/C(=C\c1ccccc1C1CC1)c1nccc2ccccc12 790229292 XDMAHHTTZCNZLV-QGOAFFKASA-N 296.373 5.176 50 20 CKGD CC(C)c1csc(/C(C#N)=C/C=C/c2ccc(F)cc2)n1 158874110 JVHGFOWESGJBEJ-ORRXZRLISA-N 298.386 5.026 50 20 CKGD Cc1ccccc1-c1cccc(/C=C(\C#N)c2ccccn2)c1 729641748 VRVSMVABCPJBCR-XMHGGMMESA-N 296.373 5.121 50 20 CKGD N#C/C(=C\c1ccc2occc2c1)c1ccc2ccccc2n1 794698014 GHERVPWGQQHKTE-SFQUDFHCSA-N 296.329 5.045 50 20 CKGD C=C(O[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1 195840433 XLIZHJOZXVTMKC-UHFFFAOYSA-N 276.496 5.849 50 20 CKGD N#C/C(=C/c1sc2ccccc2c1Cl)c1ccccn1 214899346 LDQKKDGLBNUTAX-LUAWRHEFSA-N 296.782 5.014 50 20 CKGD FC(F)(F)c1ccc([C@@H](Cl)c2ccccc2)cc1 104046399 XORHOWOSRLIUMC-ZDUSSCGKSA-N 270.681 5.034 50 20 CKGD CC(=C/c1ccccc1)/C=C(\C#N)c1nc(C(C)C)cs1 747439192 AIRJZENAONTTRJ-IDMWQADZSA-N 294.423 5.277 50 20 CKGD CC(C)c1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1 917146754 UUPVIPRAQLPWAU-UYRXBGFRSA-N 298.389 5.422 50 20 CKGD FS(F)(F)(F)(F)c1ccc(NCc2ccoc2)cc1 689640509 SAMGAAPIURQMPI-UHFFFAOYSA-N 299.264 5.549 50 20 CKGD COc1ccc(S(F)(F)(F)(F)F)cc1Cl 116725745 HDXQQPIDMAWIEY-UHFFFAOYSA-N 268.634 5.006 50 20 CKGD C[C@@H]1CC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1 690221484 FJDCGPSSHPFTIU-LDYMZIIASA-N 287.297 5.554 50 20 CKGD Cc1nc(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)sc1C 32175365 WRVFKMYOOCQBDM-XNTDXEJSSA-N 296.439 5.122 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2cc(Cl)cs2)n1 195228577 HJXBINKACLZOTG-OQFOIZHKSA-N 294.832 5.046 50 20 CKGD CCC[C@](CC=O)(O[Si](C)(C)C(C)(C)C)C1CCCC1 536949647 CIDCSRABRCHONY-QGZVFWFLSA-N 298.543 5.326 50 20 CKGD N#C/C(=C\c1sccc1Cl)c1ccc2ccccc2n1 782330675 RRHFOLQAENQNMI-FMIVXFBMSA-N 296.782 5.014 50 20 CKGD N#C/C(=C\c1cscc1Cl)c1nccc2ccccc12 790228659 RKEKOZMMLYVRRB-KPKJPENVSA-N 296.782 5.014 50 20 CKGD N#C/C(=C\c1coc2ccccc12)c1nccc2ccccc12 790229430 ZIMSBKQFWDFMJM-RVDMUPIBSA-N 296.329 5.045 50 20 CKGD N#C/C(=C/c1cc(Cl)cs1)c1ccc2ccccc2n1 782330111 OOZIZWLXJUEKCI-GHXNOFRVSA-N 296.782 5.014 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2sccc2Cl)n1 195228621 CBUKCCAAKCSVTG-WEVVVXLNSA-N 294.832 5.046 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2sccc2Cl)n1 588600663 CBUKCCAAKCSVTG-UITAMQMPSA-N 294.832 5.046 50 20 CKGD C[C@@H]1CC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1 690221477 FJDCGPSSHPFTIU-KCJUWKMLSA-N 287.297 5.554 50 20 CKGD N#C/C(=C\c1cc2ccccc2o1)c1nccc2ccccc12 790227853 LNNRCMYUIVAQOB-FOWTUZBSSA-N 296.329 5.045 50 20 CKGD Br[C@H](CC1CCCCC1)c1ccccc1 71095612 VTTKCESDLBTHPV-CQSZACIVSA-N 267.210 5.093 50 20 CKGD CCCCCC[C@H](C)O[C@@H]1CCCC[C@H]1Br 250829459 PUGCSVBBUFPFFW-BFHYXJOUSA-N 291.273 5.068 50 20 CKGD CCCCCC[C@H](C)O[C@H]1CCCC[C@H]1Br 250829462 PUGCSVBBUFPFFW-MJBXVCDLSA-N 291.273 5.068 50 20 CKGD N#C/C(=C\c1ccccc1)c1nc2cc(Cl)ccc2s1 12862612 KONBWHOSNYBESS-XYOKQWHBSA-N 296.782 5.014 50 20 CKGD CCCCCCC[C@H](CBr)CCCCC 117721490 DDWZTZDZRNVURY-CQSZACIVSA-N 277.290 5.938 50 20 CKGD CCCCNc1cccc(S(F)(F)(F)(F)F)c1 690219951 LNGUEDLTTKJISB-UHFFFAOYSA-N 275.286 5.556 50 20 CKGD CCCCCCCCO[C@H]1CCCC[C@@H]1Br 109318293 SLEVSJVKATWFHV-KBPBESRZSA-N 291.273 5.070 50 20 CKGD N#C/C(=C/c1ccc2occc2c1)c1ccc2ccccc2n1 794698010 GHERVPWGQQHKTE-ATVHPVEESA-N 296.329 5.045 50 20 CKGD N#C/C(=C/c1cc2ccccc2o1)c1nccc2ccccc12 790227857 LNNRCMYUIVAQOB-VBKFSLOCSA-N 296.329 5.045 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2ccsc2Cl)n1 790099425 GJHOPGUBAXGRQF-YHYXMXQVSA-N 294.832 5.046 50 20 CKGD CC(/C=C(\C#N)c1ccc2ccccc2n1)=C\c1ccccc1 750914293 VLFMNTQOULDBCO-PQOPAYJDSA-N 296.373 5.245 50 20 CKGD CC(C)c1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1 917146736 UUPVIPRAQLPWAU-CPNJWEJPSA-N 298.389 5.422 50 20 CKGD CC(=C\c1ccccc1)/C=C(\C#N)c1nc(C(C)C)cs1 747439202 AIRJZENAONTTRJ-IEPNIYFGSA-N 294.423 5.277 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2cscc2Cl)n1 771839118 TXZSCUBVNVLJAD-YCRREMRBSA-N 294.832 5.046 50 20 CKGD CC(C)c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1 866010324 BEDJGKZPBGKWNJ-CXUHLZMHSA-N 294.423 5.208 50 20 CKGD CCCCCC[C@H](C)O[C@H]1CCCC[C@@H]1Br 71125403 PUGCSVBBUFPFFW-IHRRRGAJSA-N 291.273 5.068 50 20 CKGD N#C/C(=C/c1cscc1Cl)c1nccc2ccccc12 790228657 RKEKOZMMLYVRRB-GHXNOFRVSA-N 296.782 5.014 50 20 CKGD FS(F)(F)(F)(F)c1ccc(NCc2ccco2)cc1 689640644 TYGVLKASDSWPTD-UHFFFAOYSA-N 299.264 5.549 50 20 CKGD C[C@@H]1C[C@@H]1CNc1cccc(S(F)(F)(F)(F)F)c1 707852347 BNLSJAFIDZPPMZ-RKDXNWHRSA-N 287.297 5.412 50 20 CKGD CCC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1CCCC1 536949633 CIDCSRABRCHONY-KRWDZBQOSA-N 298.543 5.326 50 20 CKGD Cc1nc(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)sc1C 216717858 WRVFKMYOOCQBDM-GDNBJRDFSA-N 296.439 5.122 50 20 CKGD N#C/C(=C\c1cc(Cl)cs1)c1ccc2ccccc2n1 782330112 OOZIZWLXJUEKCI-KPKJPENVSA-N 296.782 5.014 50 20 CKGD CC1(CNc2cccc(S(F)(F)(F)(F)F)c2)CC1 687313183 JVOBQTKCWIDALW-UHFFFAOYSA-N 287.297 5.556 50 20 CKGD N#C/C(=C/c1coc2ccccc12)c1ccc2ccccc2n1 746519596 DJBJVPKPSHFFIZ-PTNGSMBKSA-N 296.329 5.045 50 20 CKGD Cc1nc(/C(C#N)=C\c2cc3ccccc3s2)sc1C 758434790 VBQQCDMLYHVCFW-JYRVWZFOSA-N 296.420 5.039 50 20 CKGD CC(C)(C)[Si](C)(C)OCc1cncc(-c2ccccc2)c1 169992401 YEAJBJWOSJYZRV-UHFFFAOYSA-N 299.490 5.270 50 20 CKGD CC(C)(C)Sc1ccc(S(F)(F)(F)(F)F)cc1 115763260 PCEUGKWHGYFBHU-UHFFFAOYSA-N 292.338 6.235 50 20 CKGD CC(C)CCCCCCCCCCBr 54967659 SYGKMMISRGUHPR-UHFFFAOYSA-N 263.263 5.548 50 20 CKGD N#C/C(=C/c1cc2ccccc2o1)c1ccc2ccccc2n1 750914577 XSNYTVFVFVIGCG-VBKFSLOCSA-N 296.329 5.045 50 20 CKGD C[C@H]1CC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1 690221482 FJDCGPSSHPFTIU-KWQFWETISA-N 287.297 5.554 50 20 CKGD CC(C)(C)CC(C)(C)c1ccc(O[Si](C)(C)C)cc1 195787475 LGVXTVHRVKVONW-UHFFFAOYSA-N 278.512 5.614 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)n1 176916502 MGEVMSFGBZDXON-NLKODUOSSA-N 298.411 5.047 50 20 CKGD CC(C)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1 866010358 BEDJGKZPBGKWNJ-SXGWCWSVSA-N 294.423 5.208 50 20 CKGD CC(=C\c1ccccc1)/C=C(/C#N)c1nccc2ccccc12 790229091 XIGXKKQOHAAMIB-WXEMXXEISA-N 296.373 5.245 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NCc2ccoc2)c1 690220950 CWGUAUCKTOFCGI-UHFFFAOYSA-N 299.264 5.549 50 20 CKGD CC(=C\c1ccccc1)/C=C(/C#N)c1ccc2ccccc2n1 750914298 VLFMNTQOULDBCO-WXEMXXEISA-N 296.373 5.245 50 20 CKGD Cc1nc(/C(C#N)=C/c2csc3ccccc23)sc1C 741475192 WDOIEPYQFJCNDO-KPKJPENVSA-N 296.420 5.039 50 20 CKGD CCCCCC[C@H](C)O[C@@H]1CCCC[C@@H]1Br 71125400 PUGCSVBBUFPFFW-MELADBBJSA-N 291.273 5.068 50 20 CKGD N#C/C(=C\c1ccc2occc2c1)c1nccc2ccccc12 794715455 VOESGDWDPQNDGW-SFQUDFHCSA-N 296.329 5.045 50 20 CKGD C[C@H]1C[C@@H]1CNc1cccc(S(F)(F)(F)(F)F)c1 707852343 BNLSJAFIDZPPMZ-DTWKUNHWSA-N 287.297 5.412 50 20 CKGD CC(=C/c1ccccc1)/C=C(/C#N)c1nc(C(C)C)cs1 747439206 AIRJZENAONTTRJ-KKNNLYGJSA-N 294.423 5.277 50 20 CKGD CC(C)(C)[C@@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C 536950058 JEBLWKBNTLNKMD-WMLDXEAASA-N 298.543 5.182 50 20 CKGD CCCCCCCCO[C@@H]1CCCC[C@H]1Br 109318296 SLEVSJVKATWFHV-ZIAGYGMSSA-N 291.273 5.070 50 20 CKGD N#C/C(=C/c1ccsc1Cl)c1ccc2ccccc2n1 790218365 NIXJWRJWTABRFE-LCYFTJDESA-N 296.782 5.014 50 20 CKGD CC(C)(C)[C@@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C 536950059 JEBLWKBNTLNKMD-YOEHRIQHSA-N 298.543 5.182 50 20 CKGD CC(/C=C(\C#N)c1nccc2ccccc12)=C\c1ccccc1 790229089 XIGXKKQOHAAMIB-PQOPAYJDSA-N 296.373 5.245 50 20 CKGD N#C/C(=C/c1ccc(Cl)s1)c1nccc2ccccc12 790228877 UDCGBVDAHAFRES-XFXZXTDPSA-N 296.782 5.014 50 20 CKGD FC1(CNc2ccc(S(F)(F)(F)(F)F)cc2)CC1 802760398 YATBHTOOBDKOOO-UHFFFAOYSA-N 291.260 5.258 50 20 CKGD CC[C@@H](C#N)Nc1cccc(S(F)(F)(F)(F)F)c1 187028223 BVRJGWDNTLXKTI-QMMMGPOBSA-N 286.269 5.058 50 20 CKGD O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C1=CCC1 792548914 AECVSDUGWDWDJY-UHFFFAOYSA-N 299.264 5.003 50 20 CKGD CC(=C/c1ccccc1)/C=C(/C#N)c1nccc2ccccc12 790229090 XIGXKKQOHAAMIB-QAHWWWBRSA-N 296.373 5.245 50 20 CKGD Br[C@@H](CC1CCCCC1)c1ccccc1 71095615 VTTKCESDLBTHPV-AWEZNQCLSA-N 267.210 5.093 50 20 CKGD CC(C)CNc1cccc(S(F)(F)(F)(F)F)c1 690219913 LALJVGWALRLMCA-UHFFFAOYSA-N 275.286 5.412 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2ccccc2C2CC2)n1 750818168 QEEXQNUIRZOKBX-OQLLNIDSSA-N 294.423 5.208 50 20 CKGD N#C/C(=C\c1cc2ccccc2o1)c1ccc2ccccc2n1 750914576 XSNYTVFVFVIGCG-FOWTUZBSSA-N 296.329 5.045 50 20 CKGD N#C/C(=C\c1sc2ccccc2c1Cl)c1ccccn1 17473025 LDQKKDGLBNUTAX-PKNBQFBNSA-N 296.782 5.014 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2ccccc2C2CC2)n1 750818162 QEEXQNUIRZOKBX-DHDCSXOGSA-N 294.423 5.208 50 20 CKGD Cc1ccc(-c2cccc(/C=C(/C#N)c3ccccn3)c2)cc1 757527452 QPKVOUXDFDGZCI-ZHZULCJRSA-N 296.373 5.121 50 20 CKGD N#C/C(=C\c1coc2ccccc12)c1ccc2ccccc2n1 746519610 DJBJVPKPSHFFIZ-RVDMUPIBSA-N 296.329 5.045 50 20 CKGD CC[C@H](C#N)Nc1cccc(S(F)(F)(F)(F)F)c1 187028242 BVRJGWDNTLXKTI-MRVPVSSYSA-N 286.269 5.058 50 20 CKGD C=C(C)CNc1cccc(S(F)(F)(F)(F)F)c1 690204979 PFOJTUZYEKNEDT-UHFFFAOYSA-N 273.270 5.332 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NCC2CCC2)c1 690222978 OCSUPNORJADPRT-UHFFFAOYSA-N 287.297 5.556 50 20 CKGD FC(F)(F)c1ccc([C@H](Cl)c2ccccc2)cc1 104046405 XORHOWOSRLIUMC-CYBMUJFWSA-N 270.681 5.034 50 20 CKGD O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1=CCC1 762517345 JLDPMSZUQHLVQM-UHFFFAOYSA-N 299.264 5.003 50 20 CKGD N#C/C(=C/c1ccc2occc2c1)c1nccc2ccccc12 794715450 VOESGDWDPQNDGW-ATVHPVEESA-N 296.329 5.045 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2cc3ccccc3o2)n1 255916002 UMEXAIRNGIHHDB-MDWZMJQESA-N 294.379 5.077 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2cc(Cl)cs2)n1 588600710 HJXBINKACLZOTG-YCRREMRBSA-N 294.832 5.046 50 20 CKGD CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)s2)n1 176918171 KFNUDCAUDPRCAM-WEVVVXLNSA-N 294.832 5.046 50 20 CKGD N#C/C(=C/c1sccc1Cl)c1ccc2ccccc2n1 782330677 RRHFOLQAENQNMI-XFXZXTDPSA-N 296.782 5.014 50 20 CKGD CC(C)(C)[C@H]1CCC[C@]1(CC=O)O[Si](C)(C)C(C)(C)C 536950057 JEBLWKBNTLNKMD-RHSMWYFYSA-N 298.543 5.182 50 20 CKGD CC(C)c1ccc(/C=C(/C#N)c2nc3ccccc3o2)cc1 33915638 PZIRETIYVDKXFF-WJDWOHSUSA-N 288.350 5.015 50 20 CKGD CCCCCCCCO[C@H]1CCCC[C@H]1Br 109318298 SLEVSJVKATWFHV-KGLIPLIRSA-N 291.273 5.070 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NC/C=C\Cl)c1 690202623 FXZLQXOOXIDMRY-DJWKRKHSSA-N 293.688 5.508 50 20 CKGD CCCCCCCCO[C@@H]1CCCC[C@@H]1Br 109318291 SLEVSJVKATWFHV-UONOGXRCSA-N 291.273 5.070 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2cc3ccccc3o2)n1 176917579 UMEXAIRNGIHHDB-JYRVWZFOSA-N 294.379 5.077 50 20 CKGD FS(F)(F)(F)(F)c1ccc(NC2CCCC2)cc1 689630127 AVJPDYNSAMMRCH-UHFFFAOYSA-N 287.297 5.699 50 20 CKGD CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 186047624 JFUYQBQRHYYQKA-UHFFFAOYSA-N 289.269 5.083 50 20 CKGD CC(C)(C)c1ccc(OCc2ccccc2)c(CCl)c1 91301858 MSCSBDFDWKDWLQ-UHFFFAOYSA-N 288.818 5.302 50 20 CKGD N#C/C(=C/c1coc2ccccc12)c1nccc2ccccc12 790229429 ZIMSBKQFWDFMJM-PTNGSMBKSA-N 296.329 5.045 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2ccc3occc3c2)n1 794692997 ZGTQFCDSSCNOQY-ZSOIEALJSA-N 294.379 5.077 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NC2CCCC2)c1 690218939 BMWKHEQRPFVHHK-UHFFFAOYSA-N 287.297 5.699 50 20 CKGD ClCc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 37193993 CRORNCCSKFCPNG-UHFFFAOYSA-N 294.206 5.356 50 20 CKGD in-vitro CC(C)c1csc(/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)n1 176916488 MGEVMSFGBZDXON-PPULMUOOSA-N 298.411 5.047 50 20 CKGD C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1 690219307 FNUSAROAHLAMOR-MRVPVSSYSA-N 287.297 5.554 50 20 CKGD CC(=C/c1ccccc1)/C=C(\C#N)c1ccc2ccccc2n1 750914292 VLFMNTQOULDBCO-HARCQHEZSA-N 296.373 5.245 50 20 CKGD C#CCCCNc1cccc(S(F)(F)(F)(F)F)c1 690200793 PAXCAQZUESUVDK-UHFFFAOYSA-N 285.281 5.169 50 20 CKGD Cc1ccc(-c2cccc(/C=C(\C#N)c3ccccn3)c2)cc1 757527436 QPKVOUXDFDGZCI-XSFVSMFZSA-N 296.373 5.121 50 20 CKGD CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)CC2CC2)cc1 584603913 VZXHLMNQBUIVMX-UHFFFAOYSA-N 290.479 5.053 50 20 CKGD C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1 690219308 FNUSAROAHLAMOR-QMMMGPOBSA-N 287.297 5.554 50 20 CKGD C=CCCNc1cccc(S(F)(F)(F)(F)F)c1 690204299 MHSVLGFFMPDVQQ-UHFFFAOYSA-N 273.270 5.332 50 20 CKGD CC(C)(C)[C@H]1CCC[C@@]1(CC=O)O[Si](C)(C)C(C)(C)C 536950055 JEBLWKBNTLNKMD-PBHICJAKSA-N 298.543 5.182 50 20 CKGD CC(=C/c1ccccc1)/C=C(\C#N)c1nccc2ccccc12 790229088 XIGXKKQOHAAMIB-HARCQHEZSA-N 296.373 5.245 50 20 CKGD N#C/C(=C\c1ccsc1Cl)c1nccc2ccccc12 790228856 SJFSLBMFPXPKIP-UKTHLTGXSA-N 296.782 5.014 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NCC2CC2)c1 186145250 SEZWNOHJXBERON-UHFFFAOYSA-N 273.270 5.166 50 20 CKGD N#C/C(=C\c1cscc1Cl)c1ccc2ccccc2n1 771858662 JWMCETNAOGMRTI-KPKJPENVSA-N 296.782 5.014 50 20 CKGD O=C1CCCCCCCCCCCCCCCCC(=O)O1 147214082 YVSRVPPXZJZGBX-UHFFFAOYSA-N 296.451 5.311 50 20 CKGD CC(C)c1csc(/C(C#N)=C/C=C\c2ccc(F)cc2)n1 747692771 JVHGFOWESGJBEJ-WGAAECHPSA-N 298.386 5.026 50 20 CKGD CCCCCCCOC1(CBr)CCCCC1 109318250 AZAFKLDCVODASW-UHFFFAOYSA-N 291.273 5.071 50 20 CKGD FS(F)(F)(F)(F)c1cccc(NC/C=C/Cl)c1 690202636 FXZLQXOOXIDMRY-GORDUTHDSA-N 293.688 5.508 50 20 CKGD N#C/C(=C/c1sccc1Cl)c1nccc2ccccc12 782355100 SDZIAFDUBPPWHR-XFXZXTDPSA-N 296.782 5.014 50 20 CKGD C[C@H]1C[C@H]1CNc1cccc(S(F)(F)(F)(F)F)c1 707852345 BNLSJAFIDZPPMZ-IUCAKERBSA-N 287.297 5.412 50 20 CKGD CC1(CNc2ccc(S(F)(F)(F)(F)F)cc2)CC1 687310924 SZCAOHHFLVZDNO-UHFFFAOYSA-N 287.297 5.556 50 20 CKGD Cc1nc(/C(C#N)=C/c2cc3ccccc3s2)sc1C 125554855 VBQQCDMLYHVCFW-MDWZMJQESA-N 296.420 5.039 50 20 CKGD Oc1c(Cl)cc(S(F)(F)(F)(F)F)cc1Cl 2088642716 KIDDDLZDJWDVDS-UHFFFAOYSA-N 289.052 5.356 50 20 CKGD CC(C)c1csc(/C(C#N)=C\c2coc3ccccc23)n1 255415898 YJEQITHFHOEZPR-GHXNOFRVSA-N 294.379 5.077 50 20 CKGD Cc1csc(/C(C#N)=C\c2ccc(C3CCCC3)cc2)n1 812241094 CIDHACTYFAKLNV-YVLHZVERSA-N 294.423 5.173 50 20 CKGD