smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](CO)Nc1ccc(C#N)cc1 35606899 ROJASANPWTYQRU-MRVPVSSYSA-N 176.219 1.351 30 20 ADED N#Cc1cccc([C@H]2C[C@@H]2C(=O)O)c1 37380734 JEPNFLRZCVLACW-ZJUUUORDSA-N 187.198 1.746 30 20 ADED CC[C@@H](C#N)NC(=O)c1ccccn1 40351433 XFXCCMKYUTVWCZ-QMMMGPOBSA-N 189.218 1.114 30 20 ADED C[C@H](C#N)C(=O)Nc1cccc(C#N)c1 44810898 AZUDJBWNUFWLEX-MRVPVSSYSA-N 199.213 1.656 30 20 ADED C[C@H](Cc1ccco1)NC(=O)CC#N 49147051 KVCKBGQMLGMQHD-MRVPVSSYSA-N 192.218 1.240 30 20 ADED CC[C@H](CC#N)NC(=O)C1CCC1 54178059 PVTBZNQNLCWLIU-SECBINFHSA-N 180.251 1.595 30 20 ADED N#C[C@@H]1CCCN(C[C@@H]2CCCO2)C1 70663275 XAUGNYCCOSLHIY-QWRGUYRKSA-N 194.278 1.401 30 20 ADED CC[C@H](C#N)C(=O)N[C@H]1CC=CCC1 84067867 QMAOHSXHGIETIY-ZJUUUORDSA-N 192.262 1.761 30 20 ADED C#CCN(C)C(=O)[C@@](C)(C#N)CC 130168300 OOYHAWXIEVSRGG-SNVBAGLBSA-N 178.235 1.018 30 20 ADED C[C@H]1OCC[C@H]1NCCCCC#N 134045478 IRHZUWOLTGFTJN-NXEZZACHSA-N 182.267 1.447 30 20 ADED CC#CC(=O)NC1CCCCC1 142032693 XSPWPKHFHWQIHK-UHFFFAOYSA-N 165.236 1.459 30 20 ADED C[C@@H](C#N)N[C@H](C)C1CCC1 160030747 WYAIWNWXGZSXGC-JGVFFNPUSA-N 152.241 1.677 30 20 ADED C=C[C@H](C)NCc1ccn(C)c1 160690388 NNJJOQRRBRBNAM-VIFPVBQESA-N 164.252 1.689 30 20 ADED C=C(C)CNCc1nccn1CC 167456993 OTTITUDZJWGYMY-UHFFFAOYSA-N 179.267 1.569 30 20 ADED C=C(C)CCN[C@@H](C)C(=O)O 169067334 DRHQWPBLJQKUFB-ZETCQYMHSA-N 157.213 1.015 30 20 ADED C=C[C@@H](C)NC(=O)CCCCCN 229223460 IDZWCEIYQOIHBD-SECBINFHSA-N 184.283 1.196 30 20 ADED C=C(C)CNC(=O)CC(C)(C)OC 230940164 NUUMCOGGWFAZRO-UHFFFAOYSA-N 185.267 1.494 30 20 ADED C#CCSCCNCCC(C)C 232557934 IJHBOZAMTOYPMV-UHFFFAOYSA-N 185.336 1.989 30 20 ADED C=CCCN[C@H](CCCC)C(=O)OC 233007300 ZBKNIEIDZJAJSJ-SNVBAGLBSA-N 199.294 1.884 30 20 ADED C=C[C@@H](C)NC1CCC(O)CC1 235183072 UPYCXMDVIOYTEF-XNWIYYODSA-N 169.268 1.454 30 20 ADED CC(=O)N[C@](C)(C#N)CC(C)C 238161893 UBYQGHSWVYGAAX-VIFPVBQESA-N 168.240 1.451 30 20 ADED C[C@H](C#N)CN[C@@H]1CCN(C)[C@H](C)C1 252210740 YBGGTNCHVQFKPT-GMTAPVOTSA-N 195.310 1.218 30 20 ADED N#CCCc1cn(C2CC2)nn1 260263688 ZCSJFSGUMFDXDV-UHFFFAOYSA-N 162.196 1.069 30 20 ADED C[C@@H](C(=O)NCC#N)c1cccs1 306150153 FFPTVGZZYRRVFZ-SSDOTTSWSA-N 194.259 1.491 30 20 ADED CC#CC(=O)N1CCC2(CC1)CC2 306222610 XMPCMBAWUCTYRQ-UHFFFAOYSA-N 177.247 1.412 30 20 ADED C#CCCN(C#N)c1ccccc1 306486964 JNQMFYHJKYYQQP-UHFFFAOYSA-N 170.215 1.997 30 20 ADED C[C@H](C#N)CN(C)[C@H]1COC(C)(C)C1 306826277 ZVRMDVBYXKNRKD-NXEZZACHSA-N 196.294 1.645 30 20 ADED C/C(=N\O)[C@@H]1C[C@H](C(=O)O)C1(C)C 306873962 YOIRZJVLRCWQHH-GQDDYNPYSA-N 185.223 1.583 30 20 ADED C[C@@H]1CC[C@H](C(=O)OCC#N)C1 306927435 UHYOOCSMXQPZQD-SFYZADRCSA-N 167.208 1.489 30 20 ADED C[C@H](O)CC1(C=O)CCC1 307291904 CKVWSALJHUUARE-ZETCQYMHSA-N 142.198 1.127 30 20 ADED C#C[C@@H](NC(C)C)[C@H]1CCCO1 307416171 JANFWUIIJCXCOF-NXEZZACHSA-N 167.252 1.165 30 20 ADED C=C(CC)CNc1cc(C#N)cnn1 307681141 WNDNLGBJFROZEH-UHFFFAOYSA-N 188.234 1.726 30 20 ADED C=C(C)CNC(=O)CCCC#N 307965974 RACONQIJAKZLJM-UHFFFAOYSA-N 166.224 1.373 30 20 ADED C#CCNC(=O)[C@@H]1C[C@H]1CCC 307975744 KSWYLUASMBEAGR-RKDXNWHRSA-N 165.236 1.172 30 20 ADED CC(C)OC[C@@H](C)NC[C@@H](C)C#N 308149805 NQERUGONJWXHQF-VHSXEESVSA-N 184.283 1.549 30 20 ADED C=CCCOC(=O)CCOC(C)C 308170855 ZOKYNPIDJLTMJX-UHFFFAOYSA-N 186.251 1.921 30 20 ADED C=CCCN[C@H](COC)[C@@H]1CCCO1 308498648 FLLAJKXLDJIYDJ-MNOVXSKESA-N 199.294 1.346 30 20 ADED CCCNC(=O)NCC(C)(C)CC#N 315534418 KYFMYLNZOLMUIQ-UHFFFAOYSA-N 197.282 1.635 30 20 ADED C=CCCC[C@H](C)N1C(=O)CNC1=O 348900434 KZXMCXKDAAJUPK-QMMMGPOBSA-N 196.250 1.283 30 20 ADED C=C(C)CS[C@@H](C)C(=O)N(C)C 379311305 JVGUTRNCNVZSJD-QMMMGPOBSA-N 187.308 1.772 30 20 ADED C=CCONC(=N)COC(C)C 379321133 ZXLNKWIPKBOWBN-UHFFFAOYSA-N 172.228 1.096 30 20 ADED C#C[C@@](C)(CC)NC[C@H]1CCCOC1 384160245 JQPNTPSIXDEOJX-NEPJUHHUSA-N 195.306 1.805 30 20 ADED C[C@@H](C#N)OC(=O)[C@H](C)C1CC1 388382695 TWTUQDFIGYVHJT-NKWVEPMBSA-N 167.208 1.488 30 20 ADED CC[C@H](C)NN=Cc1n[nH]cc1C 393539271 CMHLGSMIARTVRI-QMMMGPOBSA-N 180.255 1.440 30 20 ADED N#CC1(C(F)F)CC1 409432281 NFEVFYZJJLBGDV-UHFFFAOYSA-N 117.098 1.555 30 20 ADED Cc1cccc(OCC2(C=O)CC2)n1 409432804 PCQNMNSZFLKBCC-UHFFFAOYSA-N 191.230 1.748 30 20 ADED O/N=C1\C=CC=C2C=NC=C[C@H]21 514264967 KYGAVXLDFAZMPU-ITCPUHJZSA-N 160.176 1.527 30 20 ADED CC[C@H](C)CC(=O)N1CC(C#N)C1 590485617 HNHITYVHAUGEGQ-QMMMGPOBSA-N 180.251 1.405 30 20 ADED C[C@@H](C#N)CNC[C@H](C#N)CCC#N 591734899 JFMWCXJEUCEJJX-UWVGGRQHSA-N 190.250 1.179 30 20 ADED CC[C@@H](O)CN[C@H]1CC[C@@H](C#N)C1 595078173 ZDSRHRVNSFIFOU-KXUCPTDWSA-N 182.267 1.039 30 20 ADED CN(CCC#N)C(=O)C1CC2(CC2)C1 596910368 KZIBPDYFWKNSQG-UHFFFAOYSA-N 192.262 1.549 30 20 ADED C=CCCC(=O)N1CCOC[C@H]1CC 604303326 RZWNYJLSHSUJSO-SNVBAGLBSA-N 197.278 1.590 30 20 ADED C#CC(=O)N1CCCC(F)(F)CC1 606258962 MHUSMSCTZCLJPR-UHFFFAOYSA-N 187.189 1.267 30 20 ADED C#CC(=O)N[C@@H](C)c1c(C)noc1C 606264509 YVJBVTIBHMTNSW-LURJTMIESA-N 192.218 1.102 30 20 ADED C=CCCNC(=O)[C@H](CC)OCC 617614828 PEHCXORSUWYHFL-VIFPVBQESA-N 185.267 1.494 30 20 ADED C=C1CC(C)(C(=O)NC[C@@H](O)CC)C1 633181218 NKYNGSNHFUJTMQ-VIFPVBQESA-N 197.278 1.230 30 20 ADED C=C(C)CN(C)C(=O)C1(C(C)=O)CC1 645965901 WFVQLSQFJZYBTD-UHFFFAOYSA-N 195.262 1.390 30 20 ADED CC#CCN(C)C(=O)[C@@](C)(CC)OC 647541369 XYQRPWKFHWJLLS-LLVKDONJSA-N 197.278 1.283 30 20 ADED C=CC(=O)N[C@H](C#N)C1CCCCC1 701318793 VUZZFFQEKSZQHV-SNVBAGLBSA-N 192.262 1.761 30 20 ADED C#CC[C@@H](CO)NC[C@H](C)CC 717739176 HHGMFDSDDRSSEL-ZJUUUORDSA-N 169.268 1.006 30 20 ADED CC(=NN1CCN(C)CC1)C1CCC1 747624075 JERTUARWCQBIPE-UHFFFAOYSA-N 195.310 1.410 30 20 ADED CCCCCC=NN1CC(=O)NC1=O 755610701 IGADPKIQGPDRQX-UHFFFAOYSA-N 197.238 1.104 30 20 ADED C#C[C@H](C)N(C)C(=O)Nc1ccon1 770628952 HPZCRKGIMUZBRU-ZETCQYMHSA-N 193.206 1.160 30 20 ADED CC[C@@H](C)OC(=O)c1c[nH]c(C#N)c1 779194882 PEPLVGGVDDACOE-SSDOTTSWSA-N 192.218 1.842 30 20 ADED N#CCOC(=O)c1ccc(C=O)cc1 788974599 JKUNZXMZGCSYBA-UHFFFAOYSA-N 189.170 1.179 30 20 ADED C#C[C@H](C)NC(=O)N1CCC=C(C)C1 798073334 HFLXTCOALHBAHY-JTQLQIEISA-N 192.262 1.370 30 20 ADED CC[C@H](O)CNN=Cc1occc1C 811657708 RITMTBCVVKQKFT-VIFPVBQESA-N 196.250 1.282 30 20 ADED C#CCCNC(=O)[C@H]1CCC[C@H]1CC 823326905 PZXAYSKXFURHND-MNOVXSKESA-N 193.290 1.952 30 20 ADED C=CCCC(=O)O[C@@H](CC)C(=O)O 833373712 ZCABVCJZTDNIOJ-ZETCQYMHSA-N 186.207 1.359 30 20 ADED O=C(C#CC1CC1)NCCCC1CC1 837427882 SWHHHIJESPWVLI-UHFFFAOYSA-N 191.274 1.706 30 20 ADED C#C[C@@H](C)N(C)C(=O)C#CC(C)(C)C 837583866 LZUGUKBYOOCRJX-SNVBAGLBSA-N 191.274 1.516 30 20 ADED C=C[C@@H](C)ON=C(C)c1cnnn1C 844620745 OQRWQWBHQZMCOL-SSDOTTSWSA-N 194.238 1.130 30 20 ADED COC/C(C)=C/C(=O)O[C@H](C)CC#N 845469477 SGKPPTLGTNKIPD-BNICOGTQSA-N 197.234 1.424 30 20 ADED CN1CCN(N=C2CCC[C@H]2F)CC1 872325073 BFSVEPSVWHYQNA-SECBINFHSA-N 199.273 1.112 30 20 ADED N#Cc1ccc(C=NN2CCC2)s1 872396436 HRAWIEWZXMTVCV-UHFFFAOYSA-N 191.259 1.659 30 20 ADED C=C1CN(C(=O)c2ccnc(C)c2)C1 898701660 RSFJODXGFBHOFQ-UHFFFAOYSA-N 188.230 1.402 30 20 ADED CC#CCNC(=O)/C(F)=C(\C)C1CC1 901261494 SDNDSHKSLQIXHH-NTMALXAHSA-N 195.237 1.779 30 20 ADED C#Cc1ccc(NC[C@H](C)CO)cc1 901517867 UHLJMQLYAZZTRG-JTQLQIEISA-N 189.258 1.708 30 20 ADED CCCCN(O)C(=O)c1n[nH]cc1C 904213358 OYJLRJYUQJGMHP-UHFFFAOYSA-N 197.238 1.350 30 20 ADED Cc1coc(C(=O)N[C@@H](C)C#N)c1C 1327155333 QOSGNMKHZQQKJU-ZETCQYMHSA-N 192.218 1.538 30 20 ADED Cc1ncoc1CN(CC#N)C1CC1 1331529768 LXXPRFCQTAKPOF-UHFFFAOYSA-N 191.234 1.471 30 20 ADED CCON=Cc1cc(C)c(C(=O)O)o1 1596969250 YEAQNMLGGCQMND-UHFFFAOYSA-N 197.190 1.657 30 20 ADED CO/N=C1/CC[C@H]1F 1898243629 VZFVZXDVNSCUDN-JGTYQTGESA-N 117.123 1.121 30 20 ADED Cc1nnc(NCCC#N)s1 3165558 OZFHQHXIKJQINH-UHFFFAOYSA-N 168.225 1.172 30 20 ADED C#CCNC(=O)CCC(C)C 41634809 MDXOBPWLAREQCC-UHFFFAOYSA-N 153.225 1.172 30 20 ADED C[C@H](C#N)CNC(=O)C1CCC1 54157300 CMKFXXNPLKLNHK-SSDOTTSWSA-N 166.224 1.062 30 20 ADED CO[C@@H]1CCCC[C@@H]1S 59439812 YEIOZZPFVPOPJQ-RQJHMYQMSA-N 146.255 1.874 30 20 ADED CCC[C@H](C)C#CC(=O)O 70835834 WBVNDOOQDHCHOG-ZETCQYMHSA-N 140.182 1.511 30 20 ADED C=CCCC(=O)N1C[C@@H](C)NC[C@H]1C 83118193 JZLJLIBQVDMJCO-NXEZZACHSA-N 196.294 1.161 30 20 ADED C#C[C@@]1(O)CCCCC1(C)C 86849034 SCLXPEZUBRTHMU-SNVBAGLBSA-N 152.237 1.951 30 20 ADED N#Cc1ccc2cc(N)ncc2c1 91692356 CZGFHWRSZXGBCU-UHFFFAOYSA-N 169.187 1.689 30 20 ADED N#CCC(=O)N1C[C@@H]2CCC[C@H]2C1 126221721 RTGFZKBTLBBCON-IUCAKERBSA-N 178.235 1.159 30 20 ADED C=CCCC(=O)N1CC[C@H](O)[C@@H](C)C1 127066703 PZYLLMAKYFEVSZ-UWVGGRQHSA-N 197.278 1.182 30 20 ADED Cn1ncnc1SCCCC#N 127683371 SCWGPCCSBRJXGT-UHFFFAOYSA-N 182.252 1.211 30 20 ADED CCOc1cc(C#N)ccc1N 130518354 RPGKLFKJVKPPAA-UHFFFAOYSA-N 162.192 1.539 30 20 ADED COC[C@H](NCCCC#N)C1CC1 134621307 BKUIUJYOESFYQR-JTQLQIEISA-N 182.267 1.305 30 20 ADED C#C[C@@H](C)NCc1ccccc1F 135163205 KMQDUMGOQSKHMQ-SECBINFHSA-N 177.222 1.937 30 20 ADED C=C(C)C(=O)[C@H]1C=C[C@H](N)C1 135421915 GDCCTJBWPQLIPC-YUMQZZPRSA-N 151.209 1.035 30 20 ADED C=CC(=O)[C@H](N)c1cccs1 135430734 GCQFYICRNPYRFZ-QMMMGPOBSA-N 167.233 1.503 30 20 ADED C#C[C@H](CC)N[C@@H](C)[C@@H]1CCOC1 158517922 MIGRURBVDDHWSB-HBNTYKKESA-N 181.279 1.413 30 20 ADED C#CCCCN(CC(=O)OC)C(C)C 161142767 SRAZOBLBNQIBQN-UHFFFAOYSA-N 197.278 1.283 30 20 ADED CC#CCC[C@H]1CCC[C@H]1O 161542127 QLZVJBPWRSHWQS-VHSXEESVSA-N 152.237 1.951 30 20 ADED C#C[C@@H](NC(=O)c1ccco1)C(C)C 300999215 WUNCDKNZDYHUBK-SECBINFHSA-N 191.230 1.667 30 20 ADED C[C@@H](C#N)OC(=O)C1=CCCC1 306210872 PMHAGHOORZNPTE-ZETCQYMHSA-N 165.192 1.552 30 20 ADED O=CC1(C[C@@H]2CCC[C@@H](O)C2)CC1 306378690 TZNNHWGGTDPFAL-NXEZZACHSA-N 182.263 1.907 30 20 ADED C=CCN1CCO[C@H](C(C)C)C1 306499441 VVLUYJMTIOHXNV-JTQLQIEISA-N 169.268 1.529 30 20 ADED C#CCCN1CC[C@H](N(C)C)[C@H]1C 306587488 MIVVDGLXVFVKNK-MNOVXSKESA-N 180.295 1.034 30 20 ADED CC(C)[C@]1(C)C[C@H]1NC(=O)CC#N 307663110 IMKFEPSOLWIRDL-SCZZXKLOSA-N 180.251 1.451 30 20 ADED C[C@@H](C#N)CNC(=O)C1=CCCC1 307753551 WIKTZYFIHQNGCN-QMMMGPOBSA-N 178.235 1.373 30 20 ADED C=CCNC(=O)N[C@H](C)[C@H](C)CC 308311497 RRHBSRRSDMGIRP-RKDXNWHRSA-N 184.283 1.906 30 20 ADED Cc1n[nH]cc1C=NOC/C=C\Cl 308380934 QDYYAMISUUDFNR-NOTMHCKCSA-N 199.641 1.821 30 20 ADED C#C[C@@H](CCC)NC(=O)C(C)(F)F 308436953 XAVPTHNHYKKMFV-ZETCQYMHSA-N 189.205 1.560 30 20 ADED C=C[C@@H](N[C@@H]1CCC1(C)C)C(=O)OC 308526329 JCKMXIHUSWDHCR-RKDXNWHRSA-N 197.278 1.492 30 20 ADED COCC[C@H](NCC#N)c1ccco1 308535691 SNAMMJXVNGLFHW-VIFPVBQESA-N 194.234 1.470 30 20 ADED CC#CCN[C@H](CC)C1CCOCC1 308727900 HOPOXSIIUQCALJ-GFCCVEGCSA-N 195.306 1.805 30 20 ADED C=CCC(C)(C)CNC(=O)C(F)F 310214776 DCTHZCDOHLSRBX-UHFFFAOYSA-N 191.221 1.970 30 20 ADED C[C@@H](C#N)CN(C)C(=O)C1(C)CCC1 335287123 ZKLYPUOKMIBWID-VIFPVBQESA-N 194.278 1.795 30 20 ADED CC#CCNC(=O)[C@H]1CCCC[C@H]1C 335537755 DAGCCWVWJUGGMH-MNOVXSKESA-N 193.290 1.952 30 20 ADED CC(C)[C@@H](C)C(=O)N1CC(C)(C#N)C1 336567655 NNVKWZUGDZSPQP-SECBINFHSA-N 194.278 1.651 30 20 ADED C#CCCc1noc(CCC)n1 379313939 KEQQEKNCEYKXBN-UHFFFAOYSA-N 164.208 1.588 30 20 ADED CCOCCC=NNCC(C)C 379330885 YRSPPACERPKWPC-UHFFFAOYSA-N 172.272 1.644 30 20 ADED C#CCCCOC(=O)[C@@H](C)C1CC1 379390256 NIZAWOCSSOILKY-VIFPVBQESA-N 180.247 1.989 30 20 ADED C=CCN(C)C(=O)COCC1CC1 379390364 NRPYZUSITPTVLK-UHFFFAOYSA-N 183.251 1.057 30 20 ADED C=C[C@H](COC)N[C@@H](C)CCOC 379400667 JDVPKSBOTNTPCK-VHSXEESVSA-N 187.283 1.202 30 20 ADED C=CC[C@@H](CC)NC(=O)C=NOC 381835833 GZPZPURCNZNYHQ-MRVPVSSYSA-N 184.239 1.090 30 20 ADED C[C@@H]1CCCN1CCOCCC#N 382115701 LZSIUEPCYLHADE-SNVBAGLBSA-N 182.267 1.401 30 20 ADED C#C[C@@](C)(CC)NCc1ccnn1C 384130575 AMAPCRZVZBRGFG-NSHDSACASA-N 191.278 1.312 30 20 ADED C#CC(=O)N[C@@H]1C[C@@]1(C)C(C)C 575498217 MXBUMUZKFDTJMD-SCZZXKLOSA-N 165.236 1.170 30 20 ADED CC[C@@H](O)CNCC1(C#N)CCC1 591770905 HLAVCFGZJIVRCU-SECBINFHSA-N 182.267 1.041 30 20 ADED C[C@H](CCC#N)N1CCC[C@@H](O)CC1 593031601 JSIBQKRIRKPESB-GHMZBOCLSA-N 196.294 1.525 30 20 ADED C[C@@H](CCC#N)CN1CC[C@](C)(O)C1 602485163 PSAAXYCRVYHLAW-QWRGUYRKSA-N 196.294 1.383 30 20 ADED C[C@H](C#N)CNC[C@@H](C)CCC#N 602608925 ZQAUHHRXGDOMBZ-VHSXEESVSA-N 179.267 1.676 30 20 ADED 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1.290 30 20 ADED CC(=O)N[C@@](C)(C#N)CC(C)C 238167099 UBYQGHSWVYGAAX-SECBINFHSA-N 168.240 1.451 30 20 ADED C(=NNc1ccccn1)c1ccccn1 255984475 KYDLWVBNCQERCD-UHFFFAOYSA-N 198.229 1.923 30 20 ADED C=C[C@H](NCCCC)C(=O)O 300944177 DWJVTFDSQWHSGA-ZETCQYMHSA-N 157.213 1.015 30 20 ADED C#C[C@H](NC[C@H]1CCCOC1)C(C)C 300965274 RMHGEJGLQGCXPK-NEPJUHHUSA-N 195.306 1.660 30 20 ADED C=C[C@H](N[C@H]1CC[C@@H](C)C1)C(=O)OC 301053678 YSNMLVIRGABPDQ-UTLUCORTSA-N 197.278 1.492 30 20 ADED CC[C@H](C#N)Sc1cnn[nH]1 306290192 OYKXCCSZPKWYNV-RXMQYKEDSA-N 168.225 1.199 30 20 ADED O=CC1([C@H]2CCCOC2)CC1 307030197 NKFXPCRZJYKPDC-QMMMGPOBSA-N 154.209 1.392 30 20 ADED C=CCNC1=NN=C(C(C)C)CS1 307107956 ZSMFURCQHJOPDK-UHFFFAOYSA-N 197.307 1.877 30 20 ADED COC(=O)C#C[C@H]1CCC[C@H](C)C1 307316463 BCRINIQLIIJGCR-VHSXEESVSA-N 180.247 1.989 30 20 ADED C#CCCN1CC[C@@H](C)[C@H]1C 307418566 LDAADXYFQIRBAS-NXEZZACHSA-N 151.253 1.740 30 20 ADED CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)C#N 308234260 QFRJLFILZNZQGC-DJLDLDEBSA-N 181.235 1.878 30 20 ADED C#CCCCN[C@]1(CC)CCOC1 308286029 AWOJLIKOKKCDSG-LLVKDONJSA-N 181.279 1.559 30 20 ADED CON=C(C)c1cnn(C(C)C)c1 308404940 JCBJOMRZKWDLOM-UHFFFAOYSA-N 181.239 1.834 30 20 ADED C=CCOc1cc[nH]c1C(=O)OC 308407308 KDEJVEYJTMCSOD-UHFFFAOYSA-N 181.191 1.366 30 20 ADED C=CCCCC(=O)N(C)[C@@H]1CCNC1 309648435 RNGPYWIQCGILAI-SNVBAGLBSA-N 196.294 1.163 30 20 ADED N#C[C@H]1CCC[C@H](NCC(F)F)C1 334638948 GCCJHDBGMDDJCG-YUMQZZPRSA-N 188.221 1.923 30 20 ADED Cc1occc1CN1CC(C)(C#N)C1 334840531 BWOMGLFXMHVNJW-UHFFFAOYSA-N 190.246 1.934 30 20 ADED CCn1cc(C)cc(C#N)c1=O 335464402 YUWUGMIFQKGGSH-UHFFFAOYSA-N 162.192 1.048 30 20 ADED C[C@H]1CCCC(=NNCC(=O)O)[C@H]1C 378807614 XVHFQIBJSNOFJR-YUMQZZPRSA-N 198.266 1.473 30 20 ADED CCC(C)=NNc1nc[nH]n1 379194042 VODFKFNKVHTLOG-UHFFFAOYSA-N 153.189 1.003 30 20 ADED C=C(Cl)CN(CCC#N)CCC#N 379359753 ZSHMSCOBFPHJDA-UHFFFAOYSA-N 197.669 1.868 30 20 ADED N#C[C@H]1CC[C@H](NCCCCO)C1 379365327 ORNSNGKHRUMMOH-UWVGGRQHSA-N 182.267 1.041 30 20 ADED C/C=C(/CC)C(=O)N[C@H](C#N)CC 379374958 NZABIERGQHFZOD-OTOXVQDCSA-N 180.251 1.761 30 20 ADED C=CCCN(C)c1ncncc1C#N 379515210 XAYATEXOMKBLLJ-UHFFFAOYSA-N 188.234 1.361 30 20 ADED COC(=O)CC(C)(C)NCCCC#N 379587475 SGUHJSIQKVUMLA-UHFFFAOYSA-N 198.266 1.221 30 20 ADED C=CCCN1CCC[C@]1(CC)CO 381925436 NJPGDIPNDDCVKZ-LLVKDONJSA-N 183.295 1.799 30 20 ADED N#CCCCCN1CCC[C@H](O)CC1 382021245 QFYZCMLZBXHNKE-NSHDSACASA-N 196.294 1.527 30 20 ADED C#C[C@](C)(CC)NCCC(C)(C)O 384194375 XHJLPMAMRSKHDB-LLVKDONJSA-N 183.295 1.539 30 20 ADED C[C@H]1OCCC1=NOCC1CC1 388518079 VHMIWUIQTIWQAN-SSDOTTSWSA-N 169.224 1.578 30 20 ADED C=CC[C@H](C)[C@H](C)NCCN(C)C 388768115 FZIWIGMHSJMSLQ-QWRGUYRKSA-N 184.327 1.738 30 20 ADED CCC[C@H](O)CN(CC)CCC#N 590698198 MWTSBENDMVHCLO-JTQLQIEISA-N 184.283 1.383 30 20 ADED C=C[C@@H](N[C@@H]1C[C@H]1C(C)C)C(=O)OC 591377334 OBVMMSKXWJXCPL-IVZWLZJFSA-N 197.278 1.348 30 20 ADED CC[C@H](C)N1CC[C@](O)(CC#N)C1 592150049 AKSBONPXZRHWTR-VHSXEESVSA-N 182.267 1.135 30 20 ADED CC[C@H](C#N)C(=O)N[C@@H](C)[C@@H](C)OC 593648172 FYPACHTZRARBIF-DJLDLDEBSA-N 198.266 1.076 30 20 ADED Cc1cnc(CNCCCC#N)[nH]1 594945547 ZYJJPWFKHFAEIN-UHFFFAOYSA-N 178.239 1.112 30 20 ADED CC1CC(CNC(=O)C(C)(C)C#N)C1 598778527 SWEOPMODNBTRBK-UHFFFAOYSA-N 194.278 1.698 30 20 ADED C[C@H]1CCCN1C[C@H](C#N)CCC#N 610604080 UWTZMBNRDZESIX-QWRGUYRKSA-N 191.278 1.914 30 20 ADED C=CCn1cc(CN(CC)CC)nn1 630588700 MZSVIUARIRWCOJ-UHFFFAOYSA-N 194.282 1.306 30 20 ADED C=CCCNCc1ccc(O)nc1 631171160 DODXCADGEPHBFO-UHFFFAOYSA-N 178.235 1.453 30 20 ADED C=CCC[C@H](C)N[C@@H](CC)C(=O)NC 648865569 XKUDHBYEFINCJS-UWVGGRQHSA-N 198.310 1.455 30 20 ADED C=C[C@H](C)NC(=O)NC[C@H](C)C1CC1 674934412 ZVEMYEOWMRWIFT-IUCAKERBSA-N 196.294 1.906 30 20 ADED CC#CCNC(=O)C[C@@H]1CC[C@@H](C)C1 677813350 OHFFSADTZVNLRU-GHMZBOCLSA-N 193.290 1.952 30 20 ADED C#CCCN1CCOC[C@]1(C)CC 685969603 XPDQEFWDVPYPCU-NSHDSACASA-N 181.279 1.511 30 20 ADED N#CCCCN1CCC[C@@H](CF)C1 711411681 JGONSNNMYZOTQS-JTQLQIEISA-N 184.258 1.972 30 20 ADED C#CCCCN1C[C@H]2CC[C@@H](O)[C@H]2C1 712293249 MFKOILWPXGZZPY-GRYCIOLGSA-N 193.290 1.103 30 20 ADED C=CCNC(=O)NCCOC1CCC1 742711765 FNMYJEQQRXPQNK-UHFFFAOYSA-N 198.266 1.041 30 20 ADED C#CCCCNC(=O)CCCCOC 742789095 VAEJOKGCXADPJM-UHFFFAOYSA-N 197.278 1.333 30 20 ADED C#CCCOC(=O)C[C@H]1CCCCO1 756236516 PCYHFWYMKSAQSL-SNVBAGLBSA-N 196.246 1.512 30 20 ADED C=C(C)CCOC(=O)C1(CC)COC1 756297820 WNMHEJWBFCVMFJ-UHFFFAOYSA-N 198.262 1.922 30 20 ADED CC#CCCOC(=O)COCCCC 760296602 ZIXHBJMRKHPIML-UHFFFAOYSA-N 198.262 1.760 30 20 ADED C=CCNC(=O)c1c[nH]nc1C1CC1 769676007 IZWIEVXVYYHKIX-UHFFFAOYSA-N 191.234 1.203 30 20 ADED C#CCN(C)C(=O)/C=C/C(=C/C)CC 790968268 XCCYRUGOHXLQQV-LJOQIOMMSA-N 191.274 1.991 30 20 ADED C=C(C)CCOC(=O)CC(=O)NCC 803452104 FQHZQRGQZIAPQN-UHFFFAOYSA-N 199.250 1.022 30 20 ADED C#CCCCNC(=O)c1cc(F)c[nH]1 815715166 XMQJUVPPFAJKQU-UHFFFAOYSA-N 194.209 1.297 30 20 ADED C#C[C@H](C)NC(=O)NC(C)(C)C1CC1 820422149 DEKXVIARXFYLJS-QMMMGPOBSA-N 194.278 1.496 30 20 ADED CC[C@@H](C)CONC(=O)C#CC1CC1 837665506 FHTRAVMCSRLKMD-SECBINFHSA-N 195.262 1.494 30 20 ADED CCCC(CC)=NN(C)[C@@H](C)CO 842541798 KMPRFDLJPKOMAX-VIFPVBQESA-N 186.299 1.865 30 20 ADED CCCON=Cc1ccc(F)nc1 842554670 QRWIJARFAKGOHN-UHFFFAOYSA-N 182.198 1.981 30 20 ADED C=C[C@@H](C)ON=Cc1c(C)n[nH]c1C 844623379 GEZCOLUPJMGVLI-SSDOTTSWSA-N 193.250 1.952 30 20 ADED C=CCN(C(=O)[C@H]1C[C@@H](O)C1)C(C)C 874351756 MEUBYDXNPMKOII-AOOOYVTPSA-N 197.278 1.180 30 20 ADED C#CCOCCN1CCC[C@H](CF)C1 880238087 OKHGYCBXGYVORY-LLVKDONJSA-N 199.269 1.318 30 20 ADED C=C1CN(C(=O)C[C@@H](C)COC)C1 898698708 PPLSGOVOURGVJO-MRVPVSSYSA-N 183.251 1.057 30 20 ADED N#CCCSCCOC1CC1 917847189 IHDYYUQPNDBELN-UHFFFAOYSA-N 171.265 1.812 30 20 ADED C#CCOC(=O)[C@H]1CCO[C@H]1C(=C)C 923175486 VJZMPXJXJZNYQX-UWVGGRQHSA-N 194.230 1.144 30 20 ADED CC(C)[C@@H](O)COC(=O)CCCC#N 1261589436 FQNFYMHXAOCTKX-VIFPVBQESA-N 199.250 1.240 30 20 ADED C#Cc1cc(N[C@@H](C)CC)ncn1 1537959507 BLNUEZHBMUICJL-QMMMGPOBSA-N 175.235 1.668 30 20 ADED C=CCN(C)C(=O)[C@H](CCC)NC 1574067344 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ULLSMCXWJYQPQD-SSDOTTSWSA-N 175.191 1.063 30 20 ADED C=CCCN1C(=O)[C@@H](C)[C@@H](C)C1=O 307470118 NXRZDOYIUPVKJN-OCAPTIKFSA-N 181.235 1.204 30 20 ADED CC#CCCN(C)[C@@H]1CCCOC1 307685299 YGBLWHXYNDLVGC-LLVKDONJSA-N 181.279 1.511 30 20 ADED CC(C)SCC(=O)N(C)CC#N 308041823 NQUQOQKKMFQOFB-UHFFFAOYSA-N 186.280 1.110 30 20 ADED CCC/C=C/C(=O)O[C@H](C)C#N 308062195 WVVSMDLKFDWWSM-HQZHTGGTSA-N 167.208 1.798 30 20 ADED CC#CCCON=C(N)CC(C)C 308219853 BXCQGDFQHQHKGH-UHFFFAOYSA-N 182.267 1.735 30 20 ADED C[C@H](CCC#N)CN1CCOCC1 308282250 XKYKDGCIKXPUDC-SNVBAGLBSA-N 182.267 1.258 30 20 ADED C=CCCCC(=O)NCC(C)(C)N 309020986 WZDLMOWREWKLSY-UHFFFAOYSA-N 184.283 1.196 30 20 ADED C[C@H](O)CNN=Cc1cccs1 378870317 MBERDDIDXPSXAX-ZETCQYMHSA-N 184.264 1.052 30 20 ADED C=CCNC(=O)[C@@H](C)[C@@H](C)COC 379392012 RAIGCQDUYRRWHJ-IUCAKERBSA-N 185.267 1.207 30 20 ADED CCC/C=C\C(=O)NC[C@H](C)C#N 381863021 RUEZKMVLPRFJQP-SSJHQANKSA-N 180.251 1.619 30 20 ADED CC[C@H](CO)N(C)CC1(CC#N)CC1 382066526 DSXNAKPRIMWXQN-SNVBAGLBSA-N 196.294 1.383 30 20 ADED C=CCOCCN1C[C@H](C)C[C@@H]1C 382165460 URVJIHCQYFMTNQ-MNOVXSKESA-N 183.295 1.919 30 20 ADED C=CCN(C)[C@@H](CCCC)C(=O)OC 383761382 RTZPXSFFFRFCGD-JTQLQIEISA-N 199.294 1.836 30 20 ADED C=CCC[C@@H](O)CN(CC)CC#N 388341995 JZSKFXUIJHIPJJ-SNVBAGLBSA-N 182.267 1.159 30 20 ADED N#CCCCNC(=O)c1cc[nH]c1 388361777 SYNMMZBDLMKUNK-UHFFFAOYSA-N 177.207 1.048 30 20 ADED C=C[C@@H](COC)NC(=O)/C(C)=C\C 388691684 LBVYDCZHFDIQED-RDOCRHDPSA-N 183.251 1.270 30 20 ADED C=CCN(C1CCNCC1)C1CC1 388818179 HXAVMYRDCJMHFX-UHFFFAOYSA-N 180.295 1.389 30 20 ADED CC1(C)CCC(=NOCC(N)=O)C1 388932424 URQCUAHHYZXLSF-UHFFFAOYSA-N 184.239 1.054 30 20 ADED C=CCCN1CCO[C@H](COCC)C1 528723226 RXTHZIMHJJKTFB-NSHDSACASA-N 199.294 1.300 30 20 ADED CCC(C)(CC)C(=O)N1CC(C#N)C1 590489987 YAERMIAWSGQSNG-UHFFFAOYSA-N 194.278 1.795 30 20 ADED C[C@@H](CNCCC#N)c1ccncc1 591749057 CJURXQVEKQXNQJ-JTQLQIEISA-N 189.262 1.688 30 20 ADED C[C@@H](C#N)CN(C)[C@@H]1CCO[C@H](C)C1 595301116 IPDYYVDSCDGVRL-HBNTYKKESA-N 196.294 1.645 30 20 ADED C=CCOCCN(C1CC1)[C@@H](C)C#N 595710814 VQYQMPVGZIAXDD-JTQLQIEISA-N 194.278 1.565 30 20 ADED Cc1ccc(NCC(C)(C)C#N)nn1 596190620 UPDPKIMPVUNGNX-UHFFFAOYSA-N 190.250 1.747 30 20 ADED COC(=O)[C@@H](C)S[C@@H](C#N)C1CC1 601075554 RMZIWHAVQKKSJN-SVRRBLITSA-N 199.275 1.583 30 20 ADED CC#CCN(C)C[C@@H]1CCCN(C)C1 607734662 KMPNPIOVZDPTNX-LBPRGKRZSA-N 194.322 1.283 30 20 ADED CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1C 608822728 HYRKGHLVJXKCOK-IVZWLZJFSA-N 194.278 1.697 30 20 ADED N#CCCN1CC[C@@H](c2ccco2)C1 609539764 BVVXYWDNLFZPQO-SNVBAGLBSA-N 190.246 1.983 30 20 ADED C=C[C@@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 648820565 LAAJWNUIHQNKJX-OPRDCNLKSA-N 196.294 1.017 30 20 ADED C=CCCCCN1CCNC(=O)[C@@H]1C 649281340 WZMNUHVYMUXARS-JTQLQIEISA-N 196.294 1.163 30 20 ADED C=CCCCCN(C)C[C@@H](C)O 649322125 ZIFMPCXHKFVZGI-SNVBAGLBSA-N 171.284 1.655 30 20 ADED C=C[C@H](O)C(=O)N1CCC[C@H](C)[C@H]1C 669137573 AIOBATQNOWNAGO-AEJSXWLSSA-N 197.278 1.180 30 20 ADED CCc1ccc(C(=O)NO)cc1CC 671995302 FMRPECPUZSWNOM-UHFFFAOYSA-N 193.246 1.930 30 20 ADED COCC#CCN(C)C1CCCC1 677817378 OWSDAIDLGIHTKY-UHFFFAOYSA-N 181.279 1.511 30 20 ADED COCC#CCN1C[C@H]2CCC[C@H]2C1 677820255 KOXVNIURPKWAAC-TXEJJXNPSA-N 193.290 1.368 30 20 ADED C=C(CC)CN1CCCC[C@H]1C(N)=O 678623412 PKFRIVYJQSQUIS-JTQLQIEISA-N 196.294 1.292 30 20 ADED C=CC[C@H](C)NC(=O)[C@@]1(C)CCOC1 680397777 AUZNCKWNFWBUHQ-ONGXEEELSA-N 197.278 1.494 30 20 ADED C=CCCCCCN1C(=O)CCC1=O 683736588 RADOWVFSKHJPKH-UHFFFAOYSA-N 195.262 1.882 30 20 ADED CC#CCN1CC[C@H](C)[C@@H](C(=O)O)C1 710503840 PDHTWKKBFIBGJQ-UWVGGRQHSA-N 195.262 1.052 30 20 ADED C#CC[C@H](CO)NC1CCC(C)CC1 717758912 DQWJHEXICZYJHZ-HTAVTVPLSA-N 195.306 1.539 30 20 ADED C=CCCCC(=O)NCc1cc[nH]n1 748295292 KYLRZSUIWBAFLH-UHFFFAOYSA-N 193.250 1.382 30 20 ADED CN(CCC#N)CCCCCCCO 751482878 UBFUERVJSOALKX-UHFFFAOYSA-N 198.310 1.775 30 20 ADED C#CCN(CCCCCOC)C1CC1 763950205 LSMAISKZMPLOKW-UHFFFAOYSA-N 195.306 1.901 30 20 ADED C#CCN(CC)C(=O)[C@@H](CC)OCC 764210619 RXGBVRCNFUVULD-SNVBAGLBSA-N 197.278 1.283 30 20 ADED C#C[C@@H](C)NC(=O)C[C@H]1C=CCCC1 779100162 FRAUPPMUWQBDBY-MNOVXSKESA-N 191.274 1.871 30 20 ADED C#CCOC(=O)CN1[C@@H](C)CC[C@H]1C 785739293 XLFLIBIZDPTXFU-AOOOYVTPSA-N 195.262 1.036 30 20 ADED C#CCN1CCC[C@@]1(CO)CC(C)C 789508066 VKIWUTQGYIXEBY-LBPRGKRZSA-N 195.306 1.493 30 20 ADED C#CCON=Cc1cccc2nccn12 812234022 LXVFGKGTJNOFDT-UHFFFAOYSA-N 199.213 1.318 30 20 ADED CCCNN=C(C)C1CCN(C)CC1 814804144 BLSKBTKJOJKHIY-UHFFFAOYSA-N 197.326 1.704 30 20 ADED CC(C)ON=Cc1ccc(C#N)o1 835001191 VQQZZMSAAFLUAS-UHFFFAOYSA-N 178.191 1.910 30 20 ADED C=CCON=C1CCN(C)[C@H](C)C1 835016151 RZGBAQYJYCZEHQ-SECBINFHSA-N 182.267 1.659 30 20 ADED COC[C@H](C)NC(=O)C#CC(C)(C)C 837309100 ZQWRTTGGDVWZNJ-VIFPVBQESA-N 197.278 1.187 30 20 ADED CC#CCNC(=O)C#CC(C)(C)C 837504301 OUVJOIGWBFOEKH-UHFFFAOYSA-N 177.247 1.175 30 20 ADED C=C(CC)CN1C(=O)[C@@H](C)NC1=S 841490036 IMMXZZBYFMUGIE-SSDOTTSWSA-N 198.291 1.058 30 20 ADED C=CCCN(C)C(=O)/C=C(/C)COC 844490337 MUVZFXUARHZZKF-NTMALXAHSA-N 197.278 1.614 30 20 ADED C=CCNC(=N)N[C@@H]1C[C@H]1CC(C)C 849040938 YGUUZKBOBFMZIS-NXEZZACHSA-N 195.310 1.721 30 20 ADED CC[C@@H](C)NN=C(C)c1cnc[nH]1 853337050 BZXBEYYGEOCFNG-SSDOTTSWSA-N 180.255 1.522 30 20 ADED N#CCCSc1cc(F)ncn1 853684972 OPUKXIATDSDFKE-UHFFFAOYSA-N 183.211 1.621 30 20 ADED CC[C@@H](C)CCNC(=O)C#CC1CC1 855389328 APMGLVAIUBYTJD-SNVBAGLBSA-N 193.290 1.952 30 20 ADED C[C@H](CO)N(C)N=C1CCC[C@@H]1F 872385565 ZRJNCUJXBIDNIV-SFYZADRCSA-N 188.246 1.177 30 20 ADED CC1=CC(=NN2CCC2)CC1 872394103 AYLOHDKHTOCLEI-UHFFFAOYSA-N 150.225 1.788 30 20 ADED CC[C@H](OC(=O)C#CC1CC1)C(C)=O 873401655 ZRQGLXCEGMPEEZ-JTQLQIEISA-N 194.230 1.311 30 20 ADED C=CC1(OC(=O)COC(F)F)CC1 893358173 DZZKBUPNQBZGOU-UHFFFAOYSA-N 192.161 1.487 30 20 ADED C=C1CN(C(=O)[C@H]2CCCCS2)C1 898700956 MIMSHJHHHMXZJF-SECBINFHSA-N 197.303 1.671 30 20 ADED CCC#C[C@H](C)SC1COC1 901635034 OXPHKXRMYQBDHV-QMMMGPOBSA-N 170.277 1.920 30 20 ADED C=CCCN1CCC[C@@H]2CC[C@]21CN 903797953 LNPNGWDCNKDANM-NEPJUHHUSA-N 194.322 1.766 30 20 ADED C=CC[C@@H](C)N[C@H]1CCNC1(C)C 925602998 ZYILWUDMWBREMA-ZJUUUORDSA-N 182.311 1.681 30 20 ADED C[C@@H]1COC[C@H]1NCC(C)(C)CC#N 926567690 HODQLBVDKHFLDW-NXEZZACHSA-N 196.294 1.551 30 20 ADED C=C[C@H](COC)NCc1ncc(C)[nH]1 1118481741 LIUNFYKWMRMALS-SECBINFHSA-N 195.266 1.009 30 20 ADED C=C(CC)C(=O)NCc1ccns1 1347841725 REYHKUILYGWCOA-UHFFFAOYSA-N 196.275 1.726 30 20 ADED C=C(CC)C(=O)N[C@H](CC)COC 1348936114 KHXIFJLBKLAMLW-SECBINFHSA-N 185.267 1.494 30 20 ADED C=CC[C@@H](C(=O)O)N1CCC[C@H](C)C1 1573350208 GFJJZJQKDMHNQY-UWVGGRQHSA-N 197.278 1.748 30 20 ADED S[C@@H]1CN2CCC1CC2 20476488 GITGGQFTECFEHQ-SSDOTTSWSA-N 143.255 1.010 30 20 ADED CCN(CCOC)C[C@@H](C)C#N 42493037 AIDRPGFBADJVJK-VIFPVBQESA-N 170.256 1.114 30 20 ADED C[C@@H]1CN(CCCCC#N)[C@H](C)CO1 49579390 ZAOFETLGOMILED-GHMZBOCLSA-N 196.294 1.789 30 20 ADED CCN(C)C(=O)N1CCC[C@H](C#N)C1 85966312 MAFCJTZYXPQYRE-SECBINFHSA-N 195.266 1.294 30 20 ADED CC[C@@H](CC#N)NCC1(C)COC1 87197516 AQHZQCVTZRZISI-VIFPVBQESA-N 182.267 1.305 30 20 ADED C=C(C)[C@@H]1CCC[C@H]1O 90755899 VSIRBXGTDNIZNH-JGVFFNPUSA-N 126.199 1.724 30 20 ADED C=CCC[C@@H](C)NC(C)(C)C(=O)OC 126920805 HIMCLJNAQVCMHF-SECBINFHSA-N 199.294 1.882 30 20 ADED C=CCC[C@@H](C)NCC(C)(C)C(N)=O 134940297 LSURCHLRRPQDRQ-SECBINFHSA-N 198.310 1.442 30 20 ADED C=CCN1CCOCC1(C)C 141391041 ROUZPSGOXKGLHE-UHFFFAOYSA-N 155.241 1.283 30 20 ADED C#CC(=O)N(C)CCc1cccs1 222316543 JHPZOHLHRWBCLY-UHFFFAOYSA-N 193.271 1.382 30 20 ADED CC(C)COC(=O)C(C)(C)C#N 224331968 WBHATYPDBDRHAF-UHFFFAOYSA-N 169.224 1.735 30 20 ADED N#Cc1ccc(CNCCCCO)o1 236499495 DFNAWOUDBNIYBP-UHFFFAOYSA-N 194.234 1.013 30 20 ADED C#C[C@@H]1CCCCCN1 238003817 BEAUKNYCTBGPLF-MRVPVSSYSA-N 123.199 1.152 30 20 ADED CC[C@H](CC#N)N[C@@H]1CCO[C@H]1C 251377324 SCISBXHIZFGMMK-IVZWLZJFSA-N 182.267 1.446 30 20 ADED C#CC(=O)N1CC[C@@H](C)[C@@H]1CC 306691577 NYXVMLDWSLMOJH-BDAKNGLRSA-N 165.236 1.267 30 20 ADED CNC(=S)NN=C1CC2(CC2)C1 306772235 SDZZMQUJFFQTBE-UHFFFAOYSA-N 183.280 1.010 30 20 ADED C=C[C@H](C)NC(=O)C1=CCCC1 306795144 UKAJPVYILWFDPC-QMMMGPOBSA-N 165.236 1.787 30 20 ADED C/N=C(/NC)NCCc1cccs1 307174016 SLAJCZKNCGGIBQ-UHFFFAOYSA-N 197.307 1.085 30 20 ADED C#CCCCON=C1CCC1 307569421 VXXQXENSOJHGPG-UHFFFAOYSA-N 151.209 1.956 30 20 ADED Cc1ccc(CCC(=O)NO)s1 307589668 FXXCVCBSGMHGOC-UHFFFAOYSA-N 185.248 1.495 30 20 ADED N#CCCCn1cnc(Cl)n1 307619043 VSYUMYMSLZMIEO-UHFFFAOYSA-N 170.603 1.235 30 20 ADED C=C(C)CN1C[C@H](C)C[C@@H](CO)C1 307718496 PGBRJAAKYGNWFM-GHMZBOCLSA-N 183.295 1.513 30 20 ADED C=CCSCC(=O)OCCOC 308007447 IMCDCMRFMJGQJI-UHFFFAOYSA-N 190.264 1.095 30 20 ADED C#CCCCN[C@H](CO)C(C)(C)C 308152331 PCDZXFYRECJSBQ-SNVBAGLBSA-N 183.295 1.396 30 20 ADED C=CCCCCNCC1(C)COC1 308156265 UIXHRNCSTOMMCF-UHFFFAOYSA-N 183.295 1.969 30 20 ADED C/C=C(/C)C(=O)O[C@H](C#N)COC 308332389 JIPVGAUYMREVRF-RBMBQVQZSA-N 183.207 1.034 30 20 ADED C#CCN(C)C(=O)NCCC(C)C 308347162 WBIOSAOTHSWAFG-UHFFFAOYSA-N 182.267 1.307 30 20 ADED CC1CC(NC(=O)NC[C@H](C)C#N)C1 334193004 IYHGPZZAYYHIGO-QJAFJHJLSA-N 195.266 1.244 30 20 ADED CC1(C)CN(CC#N)[C@@H]2CCC[C@H]2O1 335218755 KVDDZVJJPMYABX-NXEZZACHSA-N 194.278 1.542 30 20 ADED CC(C)[C@@H](NCC#N)C1(CO)CCC1 378855474 JVTFPQCFPWOXQS-SNVBAGLBSA-N 196.294 1.287 30 20 ADED C#CCNC(=O)[C@@H](C)SCC(=C)C 379365482 JJTCDXJEZBXCJZ-SECBINFHSA-N 197.303 1.434 30 20 ADED C=CC[C@@H](CC)N=c1cncc[nH]1 379367493 VHTXWPBDCZRWSK-SECBINFHSA-N 177.251 1.665 30 20 ADED CCC(=O)CCN(C)C[C@@H](C)C#N 379415973 QPUJFUUEMQPBHG-VIFPVBQESA-N 182.267 1.447 30 20 ADED C=CC(C)(C)CNCc1ccn(C)n1 384953891 MEHUQAXOGLRALO-UHFFFAOYSA-N 193.294 1.722 30 20 ADED C=CC[C@@H](C)[C@H](C)NC[C@@H](O)CC 388697727 MMMCMZLSCPGKGT-VWYCJHECSA-N 185.311 1.948 30 20 ADED C[C@H](C#N)CNCc1ccc(F)nc1 389219316 MNTIGLKHTGRCRW-MRVPVSSYSA-N 193.225 1.470 30 20 ADED C#CCCCN1C[C@H](CC)OC[C@H]1C 403889994 NVYAUJQZEFPJOK-NEPJUHHUSA-N 195.306 1.899 30 20 ADED COc1ccc(CNCCC#N)nc1 591763552 CXNSIZWAYSQVAN-UHFFFAOYSA-N 191.234 1.093 30 20 ADED Cc1ccc2c(c1)CN(CC#N)CC2 595658787 VRGHOHOWNSLULQ-UHFFFAOYSA-N 186.258 1.877 30 20 ADED CCN(Cc1cccnc1)[C@H](C)C#N 595814302 SXMFDZFVLHRFDT-SNVBAGLBSA-N 189.262 1.816 30 20 ADED N#C[C@H]1CC[C@@H](NC[C@H]2C[C@@H](O)C2)C1 599081233 JRRQBWMSJKSAQC-UKKRHICBSA-N 194.278 1.039 30 20 ADED CCC1=NN(C[C@H](C)C#N)C(=O)[C@H]1C 601934145 YLGRQDWPCDRCJU-SFYZADRCSA-N 193.250 1.390 30 20 ADED C[C@H](CF)NCc1cccc(C#N)n1 602661886 KGSAGJJFQFFMCI-MRVPVSSYSA-N 193.225 1.401 30 20 ADED C#C[C@H](C)NC(=O)C1CC2(CCC2)C1 606263887 OXMMWIJJFNKYGG-VIFPVBQESA-N 191.274 1.705 30 20 ADED C=CCCNC(=O)C[C@@H](O)CCC 617616789 HJGXERQFEFRIET-VIFPVBQESA-N 185.267 1.230 30 20 ADED CC#CCN1CC[C@H](CCCO)C1 650352620 DVZREYSYLSVLCV-NSHDSACASA-N 181.279 1.104 30 20 ADED C=C(C)CCNC(=O)[C@H]1CCCCO1 650928556 AKYHHZRPFHPJMA-SNVBAGLBSA-N 197.278 1.638 30 20 ADED C=CCNC(=O)N[C@H]1C[C@@]1(C)C(C)C 654853183 VTMVHEAIOCIFPF-ONGXEEELSA-N 196.294 1.906 30 20 ADED C=C(C)CN1CCNC(=O)[C@H]1CCC 677991211 RAAKXMVEGGWYJM-SNVBAGLBSA-N 196.294 1.163 30 20 ADED C=CCCC(=O)N[C@H]1CCO[C@H](C)C1 678330353 KCFVACRKAFCNDC-ZJUUUORDSA-N 197.278 1.636 30 20 ADED C=C(CC)CN[C@H]1COC[C@H]1CC 699565136 FVIQYXHILZRDFF-MNOVXSKESA-N 183.295 1.967 30 20 ADED CC/C=C(\C)C(=O)N(CC#N)C1CC1 706803961 YREAGGHLNQTYQF-RUDMXATFSA-N 192.262 1.857 30 20 ADED CCN(CC)C(=O)CON=C1CCC1 747836499 UXXANDUOAGAXLN-UHFFFAOYSA-N 198.266 1.411 30 20 ADED C#CCCCOC(=O)[C@@]1(C)CCOC1 755122655 YXDBYVNCQKJIOJ-NSHDSACASA-N 196.246 1.370 30 20 ADED CC(CCC1CC1)=NN1CCOCC1 768763642 JDBMKYXDWHFWSH-UHFFFAOYSA-N 196.294 1.885 30 20 ADED Cc1ncccc1C=NNCC(C)C 771565986 BWFZWHWMHXXTNJ-UHFFFAOYSA-N 191.278 1.970 30 20 ADED C#C[C@@H](C)NC(=O)CCCOCC=C 772969698 VQRZIHRTJZLRSQ-SNVBAGLBSA-N 195.262 1.107 30 20 ADED C#C[C@H](C)NC(=O)c1ccc(C)cn1 775388024 NJYLDFYNHJFBIR-VIFPVBQESA-N 188.230 1.142 30 20 ADED C#CCCN(C1CCCC1)[C@@H](C)CO 805751243 FGYUUUJKPNQUSI-NSHDSACASA-N 195.306 1.635 30 20 ADED C#CCONC(=O)C[C@H]1CCC[C@@H]1C 812785925 QRBCHMZVVDFXLZ-VHSXEESVSA-N 195.262 1.494 30 20 ADED C#CCC[C@@H](C)OC(=O)COCC 839031987 JJWIDCMQIVXZCE-SECBINFHSA-N 184.235 1.368 30 20 ADED 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ADED CC#CC(=O)N[C@@H](CC)[C@@H]1CCCO1 801179034 UKGPKAGCHYSZCM-UWVGGRQHSA-N 195.262 1.084 30 20 ADED C=C[C@H]1CCCCN1C(=O)C=NOC 809800612 SHIJEAYWHZZFQV-VIFPVBQESA-N 196.250 1.186 30 20 ADED C[C@@H](CO)NN=C1CCC[C@H](C#N)C1 814864797 IVTVDXPSVJLSFZ-IUCAKERBSA-N 195.266 1.027 30 20 ADED C#CCCNC(=O)[C@H](CC)CCC 819986565 BJTFJYDHQTYLCQ-SNVBAGLBSA-N 181.279 1.952 30 20 ADED CC(C)C#CC(=O)NN1CCCCC1 831256646 ZHLCANCBMWZRJR-UHFFFAOYSA-N 194.278 1.163 30 20 ADED C=C[C@H](CC)OC(=O)[C@@H]1C[C@@H]1C(=O)O 833370888 ILJRCYRSKKBIMU-GJMOJQLCSA-N 198.218 1.215 30 20 ADED C#C[C@@H](CC)OC(=O)[C@@H]1CC1(F)F 835309957 UEHQYZDGUWDHOK-BQBZGAKWSA-N 188.173 1.597 30 20 ADED C#CCCNC(=O)NC/C=C/CC 836302316 XMXAWAQIWMMVEP-FNORWQNLSA-N 180.251 1.275 30 20 ADED Cc1cc(NC(=O)C#CC2CC2)no1 837316892 JGFKVQHESKQCBE-UHFFFAOYSA-N 190.202 1.335 30 20 ADED C=C(C)CN(C)C(=O)/C=C/OCC 841171005 MAHLVSPODYACIA-VOTSOKGWSA-N 183.251 1.571 30 20 ADED C#CCN(CC)CC1CC=CC1 851800000 VIHVAOIVLMNDDO-UHFFFAOYSA-N 163.264 1.908 30 20 ADED C#CCCN(C1CC1)C1(CO)CCC1 852159705 PGAKHNCMSHSVEY-UHFFFAOYSA-N 193.290 1.389 30 20 ADED CO[C@H](C=NOCC1CC1)C1CC1 853348947 NKJRJDNKCMCUHM-SNVBAGLBSA-N 183.251 1.824 30 20 ADED CN(CCCF)C[C@H](C#N)CCC#N 887136310 PLECWUMODDVBRV-JTQLQIEISA-N 197.257 1.721 30 20 ADED CCC#CCOC(=O)C1(CC)COC1 893839615 SOOGJNXUZHFHAG-UHFFFAOYSA-N 196.246 1.370 30 20 ADED CCCCO[C@H](C)C(=O)O[C@@H](C)C#N 920916369 JFKBDSXAEBKCAJ-DTWKUNHWSA-N 199.250 1.647 30 20 ADED C=CCCCC(=O)N[C@@H]1COC[C@@H]1C 928903595 VTCGXQWWJQYHSP-VHSXEESVSA-N 197.278 1.494 30 20 ADED C=C[C@@H](CC)CC(=O)N1CCC1 929456595 MCYBWGXJGNAHEP-VIFPVBQESA-N 167.252 1.821 30 20 ADED C#CCN(C[C@H](O)CCC)C(C)C 932387772 KMFLRRLCIPSHIZ-LLVKDONJSA-N 183.295 1.491 30 20 ADED C=CCCN(CC)CCC(=O)NC 933858715 GCQHNLRZXUKRMJ-UHFFFAOYSA-N 184.283 1.021 30 20 ADED C#CC[C@@H](NCC(C)(C)C)C(=O)O 1588422825 PRLVIXHIXXTSFB-MRVPVSSYSA-N 183.251 1.099 30 20 ADED C=C(C)COC(=O)[C@H]1C[C@@H](C(=O)O)C1 1602762340 HXFILCSAJIYRSG-OCAPTIKFSA-N 198.218 1.217 30 20 ADED C=CCCNC[C@@H](C)NC(=O)CCC 1754216166 DZFBESAPBBEUCU-SNVBAGLBSA-N 198.310 1.457 30 20 ADED COC(=O)NCc1ccc(C#N)cc1 57362645 ZOQBHYLARACDDT-UHFFFAOYSA-N 190.202 1.414 30 20 ADED N#Cc1ccnc(SCCCO)c1 78676200 OXLSBGQISOMPRU-UHFFFAOYSA-N 194.259 1.428 30 20 ADED C#C[C@H](C)NCCCCC 79040327 VJMMIBRQQBAMRB-VIFPVBQESA-N 139.242 1.788 30 20 ADED C/C=C/C(=O)NC1(C#N)CCCCC1 82275375 IOOMKJYFNQUMSH-QHHAFSJGSA-N 192.262 1.905 30 20 ADED N#CCSCC(=O)OC1CCCC1 82692389 YYAFBBIJCGYXER-UHFFFAOYSA-N 199.275 1.729 30 20 ADED C=CCSC[C@H](C)C(=O)O 83050818 YZMRKIRIBGXHGG-LURJTMIESA-N 160.238 1.626 30 20 ADED C=C(CC)CN(CC(=O)O)C1CC1 85060002 MAMQCLXTAAZDPN-UHFFFAOYSA-N 183.251 1.502 30 20 ADED C=C(CC)CN(C)C[C@H](C)C(=O)OC 85064775 RSFOLXZXNURAJI-JTQLQIEISA-N 199.294 1.694 30 20 ADED C[C@H]1CC[C@]1(C#N)C(=O)O 85630369 YVSLEBPMZVZUBE-CAHLUQPWSA-N 139.154 1.011 30 20 ADED CCCOC(=O)C#Cc1ccccc1 87222805 WHLWKCVKBYBBSC-UHFFFAOYSA-N 188.226 1.991 30 20 ADED C=C(C)C(=O)[C@@H](N)CC(C)C 135405217 VTYUAKMRSWBWST-QMMMGPOBSA-N 155.241 1.505 30 20 ADED C#C[C@@H](C)Nc1nccc(C)c1C#N 158815263 GWBUNTKLGKWNBW-SECBINFHSA-N 185.230 1.695 30 20 ADED C=C(C)CNC(=O)NCCCC 160350975 DZDANSOHJNDGRP-UHFFFAOYSA-N 170.256 1.662 30 20 ADED C=C(Cl)CN[C@H](C)c1nccn1C 162327339 NBCIZNGOGCHWDM-MRVPVSSYSA-N 199.685 1.823 30 20 ADED C#C[C@H](C)NCc1ccccc1O 162959080 JBHVBXCDXZUMPR-VIFPVBQESA-N 175.231 1.504 30 20 ADED C=C(C)CN(C)C(=O)NC1CCC1 163150417 UNBWEGDFWRUZIT-UHFFFAOYSA-N 182.267 1.756 30 20 ADED C=CCCNC(=O)[C@H]1C[C@@H]1C 168927774 SYQBFGCGGHYDEQ-YUMQZZPRSA-N 153.225 1.335 30 20 ADED C=C(C)CCN[C@H](CC)COC 168993044 KPNYSQQEQVQQIE-SNVBAGLBSA-N 171.284 1.967 30 20 ADED Cc1noc(-c2cc(C#N)c[nH]2)n1 225300403 ZJAZKBVDLIOMTA-UHFFFAOYSA-N 174.163 1.245 30 20 ADED C#C[C@@H](CCC)NC(=O)COC(C)C 233295283 NUZLCWRYFQCLPF-JTQLQIEISA-N 197.278 1.330 30 20 ADED C[C@@H](CC#N)N(C)C(=O)c1cnco1 259637053 LDNZOOJIOOTONI-ZETCQYMHSA-N 193.206 1.049 30 20 ADED C#CCN(CC#N)[C@H]1C=CCCC1 306222662 QZICISUVRYFQNE-NSHDSACASA-N 174.247 1.554 30 20 ADED C=CCN1[C@H](C)CN(CC)C[C@H]1C 306289130 NQBVILYLKCSKJI-GHMZBOCLSA-N 182.311 1.587 30 20 ADED C#CCONC(=O)C1[C@H]2CCCC[C@H]12 306343817 LTQBUFTZAAGTTB-IUCAKERBSA-N 193.246 1.104 30 20 ADED C=C[C@H](C)ONC(=O)CC 307113616 RFVYBPBLOIKTHG-LURJTMIESA-N 143.186 1.019 30 20 ADED C=CCN(C)c1cc(C#N)nc(C)n1 307160505 WETFBSVHBVAWNC-UHFFFAOYSA-N 188.234 1.279 30 20 ADED CC[C@@H](C)N/N=C1/N[C@H]2C=C[C@H]1C2 307189392 XWGXYINHZOWEID-VGMNWLOBSA-N 179.267 1.236 30 20 ADED CC#CCNC(=O)NCC=C(C)C 307404386 DZFFOMJRANLZPN-UHFFFAOYSA-N 180.251 1.275 30 20 ADED CC#CC(=O)N1CCS[C@H](C)[C@@H]1C 307681104 PNJVUJMJWLOJCX-DTWKUNHWSA-N 197.303 1.362 30 20 ADED C#CCOC(=O)c1ccc(C)nc1 307733351 NBOZNFDMNVYZEH-UHFFFAOYSA-N 175.187 1.180 30 20 ADED C=CCNc1snc(C)c1C#N 307752475 RUNINNDBDXKYJN-UHFFFAOYSA-N 179.248 1.921 30 20 ADED C[C@@H]1C[C@H]1C=NOCC(F)F 307884095 SYCJDFUJQQQQOT-RITPCOANSA-N 163.167 1.910 30 20 ADED C=CCN(C)CC(=O)OC(C)C 307957990 STFDPTHCQRFVPF-UHFFFAOYSA-N 171.240 1.056 30 20 ADED C=C(Cl)CN(C)C[C@H]1CCOC1 307992190 UFKAQKCPSDWHPK-SECBINFHSA-N 189.686 1.707 30 20 ADED CCSCCC=Nn1cnnc1 308018561 RYRRYUXXRHWZIH-UHFFFAOYSA-N 184.268 1.255 30 20 ADED C=C(C)CN(C)C(=O)C(C)(C)F 308114340 LRSMOARBAIMSGH-UHFFFAOYSA-N 173.231 1.769 30 20 ADED C[C@H](C#N)CNN=Cc1cccs1 308255152 KEFCMQOBKBNSLR-MRVPVSSYSA-N 193.275 1.831 30 20 ADED N#CCCN(CCCF)CC1CC1 308415541 QMGCOPXSOVYCBE-UHFFFAOYSA-N 184.258 1.972 30 20 ADED CCN(CCC[C@H](C)O)C[C@@H](C)C#N 308582110 PVNDYKYHYXTYFH-QWRGUYRKSA-N 198.310 1.629 30 20 ADED C=C(C)CN[C@H]1CCC[C@H]1C(=O)NC 308623436 UWJINNCXTDPLSP-ZJUUUORDSA-N 196.294 1.067 30 20 ADED C=CCOCC(=O)NCCC1CC1 379391483 PSKHIBJFLSMYEQ-UHFFFAOYSA-N 183.251 1.105 30 20 ADED CC[C@H](CCO)N[C@@H]1CC[C@H](C#N)C1 379603645 OGLAYWZWDILTPD-HBNTYKKESA-N 196.294 1.429 30 20 ADED C#C[C@@](C)(CC)N[C@@H](CC)C(=O)O 384140675 DDWNPCFQHCFNOF-WPRPVWTQSA-N 183.251 1.241 30 20 ADED C[C@H]1C[C@@H](O)CN1CCCCC#N 388516913 XCVKVOITGOIPGN-VHSXEESVSA-N 182.267 1.135 30 20 ADED C#CCON=C1CCO[C@@H](CC)C1 388805325 PVRLAFZINRDZCS-JTQLQIEISA-N 181.235 1.581 30 20 ADED C=CCN1CCC[C@@](CC)(CO)C1 388923383 SDTKXPPBGBWBGT-LLVKDONJSA-N 183.295 1.657 30 20 ADED C#C[C@H](NC(=O)/C=C/C=C\C)C(C)C 389063222 PMLYOOIHZAOLPX-SPHLDPQZSA-N 191.274 1.893 30 20 ADED C#C[C@H](N[C@H](C)[C@@H]1CCCO1)C(C)C 389271195 LSTIISPXGHXLSL-WOPDTQHZSA-N 195.306 1.801 30 20 ADED Cc1nnsc1CSCCC#N 594903790 RQDNKXZHFBSOIR-UHFFFAOYSA-N 199.304 1.993 30 20 ADED CC[C@H](CN(C1CC1)[C@H](C)C#N)OC 595710215 NROLABPKAIWRFH-MWLCHTKSSA-N 196.294 1.788 30 20 ADED C[C@@H]1C[C@H]1CNc1c(C#N)cnn1C 596077541 KGBMEGADELQGLY-SFYZADRCSA-N 190.250 1.360 30 20 ADED C[C@H]1C[C@H]1CNc1c(C#N)cnn1C 596077543 KGBMEGADELQGLY-YUMQZZPRSA-N 190.250 1.360 30 20 ADED COC(=O)[C@H](C)N(C)CCCCC#N 599575587 XXUZONPLAZVIHX-VIFPVBQESA-N 198.266 1.174 30 20 ADED N#C[C@H]1CC[C@H](N[C@H]2C[C@@H](CO)C2)C1 601292542 XGPFMFUUEMQZIS-XWLWVQCSSA-N 194.278 1.039 30 20 ADED CCOCCNC[C@H](C)CCC#N 602586011 MYGMVAARGMJRIS-SNVBAGLBSA-N 184.283 1.552 30 20 ADED N#CCC1(CN2CC=CCC2)CC1 602803188 YUYXNFAJXFFZLK-UHFFFAOYSA-N 176.263 1.942 30 20 ADED CC#CCN(CCO)CC(C)(C)C 607724428 VDANXADSQGFMFZ-UHFFFAOYSA-N 183.295 1.350 30 20 ADED C=C[C@H](CO)NC(=O)C[C@@H](C)CCC 620590343 JIICQIGFWRATHB-VHSXEESVSA-N 199.294 1.476 30 20 ADED C=CC[C@@H](CC)NCC1(O)CCC1 644639008 VJGZBHPEWGSBJY-SNVBAGLBSA-N 183.295 1.846 30 20 ADED C=CCN1C[C@@H](CC)OC[C@H]1C 649730888 ZQJDNOIQJIHGFT-NXEZZACHSA-N 169.268 1.672 30 20 ADED C=CC(C)(C)C(=O)NCCCCCO 649844108 OVFSXJKGDYQTQP-UHFFFAOYSA-N 199.294 1.477 30 20 ADED C=C[C@@](C)(O)CC(=O)NCC(=C)CC 654373162 OJNZOLIJHBPCGJ-LLVKDONJSA-N 197.278 1.396 30 20 ADED C=CCN1CCN(CC=C)[C@H](C)[C@H]1C 662225536 LGHAGERBWHLWHT-VXGBXAGGSA-N 194.322 1.753 30 20 ADED CC#CCN[C@@H](C)C1(OC)CCC1 665218078 SUASVPFYUSZQKJ-JTQLQIEISA-N 181.279 1.557 30 20 ADED C=CCN(C(=O)[C@@H](C)OCC)C1CC1 678496117 OSFIYGGCCJTEKU-SECBINFHSA-N 197.278 1.588 30 20 ADED CC#CCCNC(=O)N(C)[C@H](C)CC 681538620 HAJMTXHVIPVASN-SNVBAGLBSA-N 196.294 1.840 30 20 ADED C=CCOCCCC(=O)N(C)CC=C 681674922 SGHOPPKDTQTLFF-UHFFFAOYSA-N 197.278 1.614 30 20 ADED C=CCCN(C)C(=O)CN(C)CCC 682547133 PVMHSUHFECYLGR-UHFFFAOYSA-N 198.310 1.363 30 20 ADED C#CC(=O)N[C@@H](CC)c1ccccc1 692898749 ZEWOMTYUSZSAQT-NSHDSACASA-N 187.242 1.887 30 20 ADED C#CCCON=C(C)c1cnn(C)c1 760351753 SYBYKZGUZVDREX-UHFFFAOYSA-N 191.234 1.184 30 20 ADED CC(C)ON=Cc1ccn(C)c1 835001183 VOTFGUHUYZRLHR-UHFFFAOYSA-N 166.224 1.784 30 20 ADED C#C[C@H](C)N(C)C(=O)/C=C\OCC 841201354 UPMNROXIGGDQGL-FUOZMLNRSA-N 181.235 1.017 30 20 ADED CC(C)C#CC(=O)N1CC[C@H]2C[C@@H]2C1 856061409 XBOXWFWQBZSKGX-WDEREUQCSA-N 191.274 1.514 30 20 ADED C#C[C@@](C)(CC)NC(=O)OCC1CC1 867321031 HJLAULVXGGAMQZ-NSHDSACASA-N 195.262 1.925 30 20 ADED C#C[C@](C)(CC)NC[C@@H]1CCO[C@@H]1C 878661005 UBQXMRQSOPJTCL-GRYCIOLGSA-N 195.306 1.803 30 20 ADED Cc1coc(C(=O)N2CC(C#N)C2)c1 880113711 BFBHRKWAXISSCK-UHFFFAOYSA-N 190.202 1.184 30 20 ADED C#C[C@@H](C)NC(=O)NC[C@H]1C=CCC1 883580995 NZNYZLQPFQRQRY-ZJUUUORDSA-N 192.262 1.274 30 20 ADED C#CCSCC(=O)OCC(=C)C 885891848 QGSZCHUVPGYPGF-UHFFFAOYSA-N 184.260 1.472 30 20 ADED C=C1CN(c2cc(C(F)F)ncn2)C1 894536277 WAFBJJKBUDBAND-UHFFFAOYSA-N 197.188 1.790 30 20 ADED C=C1CN(C(=O)C[C@H](C)COC)C1 898698709 PPLSGOVOURGVJO-QMMMGPOBSA-N 183.251 1.057 30 20 ADED C=CC[S@](=O)Cc1nccnc1C 905209474 ZNSFNRHIHHTBKW-ZDUSSCGKSA-N 196.275 1.220 30 20 ADED C=C[C@H](CC)CC(=O)OCCOC 909524807 JPFFQOXGVMPJAW-SECBINFHSA-N 186.251 1.778 30 20 ADED CN(C)CCCOC(=O)C(C)(C)C#N 917526998 LTCJCDPKJQTAJF-UHFFFAOYSA-N 198.266 1.031 30 20 ADED C#CCNC(=O)C[C@@H]1CCCC[C@H]1C 920430735 VMIBXLNFLBSTEV-MNOVXSKESA-N 193.290 1.952 30 20 ADED C#CCN(Cc1cc(C)no1)C(C)C 932387779 KOPCBESNVMQPOB-UHFFFAOYSA-N 192.262 1.827 30 20 ADED C=C(C)CCN1CC[C@@H]1CNC(C)=O 1037985809 KSFYFKBUTOSCBW-LLVKDONJSA-N 196.294 1.163 30 20 ADED C=CCCN1CC(N(C)C(=O)CC)C1 1042389754 XVXLEGJLKTWMOX-UHFFFAOYSA-N 196.294 1.115 30 20 ADED C=C(CC)C(=O)N[C@H]1CO[C@@H](C)C1 1263845945 DLNBYAOJIGFYNZ-DTWKUNHWSA-N 183.251 1.246 30 20 ADED C#CCO[C@@H](C)C(=O)N1CCC1(C)C 1327971243 IVKLJXJVUOLAQF-VIFPVBQESA-N 195.262 1.036 30 20 ADED C=C(C)CCC(=O)NC[C@H](C)C(=O)O 1520160493 JYJWNJRHGBOSFX-QMMMGPOBSA-N 199.250 1.180 30 20 ADED CCCC(=O)N(C)CCC#N 19833680 ZGFNMRAXADPWRD-UHFFFAOYSA-N 154.213 1.159 30 20 ADED C[C@H](C#N)C(=O)C1CCCC1 36931583 PCAQGHPUOSKWJQ-SSDOTTSWSA-N 151.209 1.905 30 20 ADED C=CCSc1nncn1CC=C 41338441 ZDRXXEVFPFBKJK-UHFFFAOYSA-N 181.264 1.742 30 20 ADED CC[C@H]1CO[C@@H](C)CN1CCCC#N 42224097 YQNGTOUUTBTNDW-QWRGUYRKSA-N 196.294 1.789 30 20 ADED Cc1cccc(N(C)C(=O)CC#N)c1 49990536 LCXBYXDUBFIPJL-UHFFFAOYSA-N 188.230 1.872 30 20 ADED CCCCC(=O)N[C@@H](CC)CC#N 54177707 MYEURTGZQMGHPM-VIFPVBQESA-N 182.267 1.985 30 20 ADED CC1CCC(CNC(=O)CC#N)CC1 63146479 MNXLBWUILXIQOF-UHFFFAOYSA-N 194.278 1.843 30 20 ADED C=CCCN1CCC[C@@H]1C(=O)OC 70595415 OOQZRSPNUXMPLF-SECBINFHSA-N 183.251 1.200 30 20 ADED CC[C@H](C#N)SC[C@H](C)CO 85138415 XBQBVGOCLXEPBR-HTQZYQBOSA-N 173.281 1.650 30 20 ADED N#C[C@@H]1CC[C@@H](N2CCOCC2)C1 113220564 GGTJGDSOPMUMOO-NXEZZACHSA-N 180.251 1.011 30 20 ADED Cc1ccnc(N[C@@H](C)CO)c1C#N 133723488 ZUURTBJKCHFYNQ-QMMMGPOBSA-N 191.234 1.054 30 20 ADED C#CCCCN[C@@H]1C[C@@H](O)C1(C)C 163426305 UXRRNIJRRIPCSF-NXEZZACHSA-N 181.279 1.149 30 20 ADED C#CCCC[C@@H]1CCC[C@@H]1O 163577741 BOGIEHVZSIHMPF-ZJUUUORDSA-N 152.237 1.951 30 20 ADED C#C[C@H](C)NC(=O)[C@@H]1Cc2ccccc21 165243779 JQUZAUTXNSJUMV-JOYOIKCWSA-N 199.253 1.464 30 20 ADED N#CCCNCC1(CO)CCCC1 168630180 SBMVBBZZGRDCDS-UHFFFAOYSA-N 182.267 1.042 30 20 ADED CCC1(CNC(=O)[C@@H](C)C#N)CCC1 227767093 FSEYYYJXKGXVKT-VIFPVBQESA-N 194.278 1.843 30 20 ADED C=C[C@@H](C)NC[C@H](O)c1ccccc1 229207843 UXHCKMMDSGYNIA-PWSUYJOCSA-N 191.274 1.884 30 20 ADED CC[C@H](CC#N)N[C@@H](C)[C@@H]1CCOC1 229635795 KQLKLJWTBRIKOQ-HBNTYKKESA-N 196.294 1.693 30 20 ADED CC(C)C[C@H](C#N)NC(=O)CC1CC1 259563328 CFRPSBBPCIISFI-SNVBAGLBSA-N 194.278 1.841 30 20 ADED Cc1ccoc1CNC(=O)CC#N 306197727 QXFIIHPCTAMSFI-UHFFFAOYSA-N 178.191 1.118 30 20 ADED Cc1cc(C(=O)NO)cc(C)c1F 306323369 ZXCBDYUTWBDJPZ-UHFFFAOYSA-N 183.182 1.562 30 20 ADED C#CCNc1ccnc(C(C)(C)C)n1 306457605 VVPNDYPVVMSXDV-UHFFFAOYSA-N 189.262 1.819 30 20 ADED CC(C)CC1(C(=O)NO)CC1 306837322 VVKZPVXRVDEWEV-UHFFFAOYSA-N 157.213 1.318 30 20 ADED C=CCNc1ccc(C(N)=O)c(C)c1 307419017 MOEAFJJHUHCRFW-UHFFFAOYSA-N 190.246 1.692 30 20 ADED CO[C@@H](C)C(N)=NOCCC1CC1 308302613 LQNPRKHDJFUJLR-ZETCQYMHSA-N 186.255 1.110 30 20 ADED COCCCOC(=O)C(C)(C)C#N 308482997 NYXUBTWEVKDDMJ-UHFFFAOYSA-N 185.223 1.116 30 20 ADED Cn1cncc1Cn1ccc(C#N)c1 334434290 NMSWTQDNUKXKNU-UHFFFAOYSA-N 186.218 1.142 30 20 ADED C[C@@H](CC#N)N(C)C(=O)c1ccc[nH]1 335320497 AROUGOYPUSYQGL-QMMMGPOBSA-N 191.234 1.389 30 20 ADED CCCC(=O)OCCOCCC#N 378802579 VTQPGQBWLDDEOL-UHFFFAOYSA-N 185.223 1.260 30 20 ADED CC[C@H](C)C(C)=NNC(=S)NC 379317342 FLGYIPCRCHORCI-LURJTMIESA-N 187.312 1.502 30 20 ADED C=CCCCCNCc1cnc[nH]1 379349681 PXDRCXCHEYHHGE-UHFFFAOYSA-N 179.267 1.856 30 20 ADED C=C[C@H](C)N[C@H](C)c1ccc(O)nn1 379610669 TUVKRANSHYVKAD-JGVFFNPUSA-N 193.250 1.407 30 20 ADED C#C[C@@](C)(CC)NC(=O)COCCC 384216980 QXIIOVZUCKCJNG-NSHDSACASA-N 197.278 1.331 30 20 ADED C[C@H]1[C@@H](C)OCCN1CCCCC#N 388971456 XVOBAOITLBIKRJ-WDEREUQCSA-N 196.294 1.789 30 20 ADED C#CCCCN[C@@H]1CC[C@@H](C#N)C1 393726486 UHRDLPXYJDXTOY-GHMZBOCLSA-N 176.263 1.682 30 20 ADED CC(C)[C@]1(C)C[C@H]1NCCC#N 397410690 XRWMYRRNZQITDS-ZJUUUORDSA-N 166.268 1.924 30 20 ADED CCc1cnn(CCO[C@H](C)C#N)c1 402815719 WMVSVMOXXWOXKV-SECBINFHSA-N 193.250 1.374 30 20 ADED C#CCn1cc(-c2ccccn2)cn1 409438624 MKDCYNDJCWUBJF-UHFFFAOYSA-N 183.214 1.578 30 20 ADED CC(C)(C)C#Cc1cnc(C#N)nc1 585144017 ZMYWIDXVAFGUMA-UHFFFAOYSA-N 185.230 1.746 30 20 ADED N#C[C@H]1CC[C@@H](NC[C@H]2CCCO2)C1 590655828 HEORERFBJCLRCR-HBNTYKKESA-N 194.278 1.447 30 20 ADED C[C@]1(NCCC#N)CCO[C@@H]1C1CC1 591026541 MTSYBACESKAAGD-MNOVXSKESA-N 194.278 1.447 30 20 ADED CC[C@H](C#N)C(=O)N[C@](C)(C#N)CC 593443855 JQTDPZQEJSYAOD-SCZZXKLOSA-N 193.250 1.345 30 20 ADED C[C@H](C#N)N(C)C(=O)C1CC2(CC2)C1 598846745 YTILRQNEEBBESD-MRVPVSSYSA-N 192.262 1.547 30 20 ADED C=C[C@H](CO)NC(=O)[C@](C)(C=C)CC 620590882 GSAZJUOHEVAGLG-MWLCHTKSSA-N 197.278 1.252 30 20 ADED CC#CCN(C)C[C@H]1C[C@@H]1C 625449894 NMLFHCIUCVFTPL-VHSXEESVSA-N 151.253 1.598 30 20 ADED C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCOC1 648763386 GKGWOUXTHLJGSK-MXWKQRLJSA-N 197.278 1.099 30 20 ADED C=CCN(CC=C)C[C@H](O)CCC 649245259 OFVLCZLRHOUYOA-LLVKDONJSA-N 183.295 1.821 30 20 ADED C=CCCCCCN1CCNC(=O)C1 683779068 UAFXDDIDCKYWLK-UHFFFAOYSA-N 196.294 1.165 30 20 ADED C#C[C@](C)(CC)N[C@H](CC)C(=O)OC 687767447 JJVDQOVGTAYRNC-MWLCHTKSSA-N 197.278 1.330 30 20 ADED C[C@H](CN(C)[C@H](C)CCC#N)C(=O)O 695715590 FSTACJLWQFQHOU-RKDXNWHRSA-N 198.266 1.331 30 20 ADED CC(C)c1ccnc(C(N)=NO)c1 725328254 WIEDCIZIGQBNLC-UHFFFAOYSA-N 179.223 1.300 30 20 ADED C#CCCCC(=O)N[C@@H](C#N)C(C)C 758921287 NLCNQJJSBHZZCM-JTQLQIEISA-N 192.262 1.454 30 20 ADED C#C[C@@H](C)N(C)c1nc(C(C)C)no1 767439525 JBLMNPGKFPNBLQ-MRVPVSSYSA-N 193.250 1.651 30 20 ADED C#CCN1C[C@H](O)Cc2ccccc21 789353628 NCONBQJTKBJHOU-LLVKDONJSA-N 187.242 1.043 30 20 ADED C#C[C@H](NC(=O)N[C@H](C)C=C)C(C)C 798542993 CYQYDUBHLNBZGJ-ZJUUUORDSA-N 194.278 1.518 30 20 ADED C#C[C@H](CC)OC(=O)c1c[nH]nc1C 805918423 SZSGZLVVYZOVMD-MRVPVSSYSA-N 192.218 1.287 30 20 ADED C#C[C@@H](C)NC(=O)N(CCC)C(C)C 820394254 GXVSVKFCBWZCBM-SNVBAGLBSA-N 196.294 1.838 30 20 ADED C#CCONC(=O)[C@@H](CC)CCC 824484127 UGQFPTZRWHHAOR-VIFPVBQESA-N 183.251 1.494 30 20 ADED C#Cc1cnc(N[C@@H](C)C2CC2)nc1 827353873 JNVJFTHUCFEOJW-QMMMGPOBSA-N 187.246 1.668 30 20 ADED CCCONC(=O)NCC(C)(C)C#N 828307536 PZPVPWYLYZRYLR-UHFFFAOYSA-N 199.254 1.177 30 20 ADED C#C[C@H](CC)NC(=O)[C@H](CCC)OC 830361332 JCNDWDSPJKGBFN-ZJUUUORDSA-N 197.278 1.330 30 20 ADED C#CCNN=C(CC)CCC 835008660 KERLXYHMPVSORY-UHFFFAOYSA-N 152.241 1.775 30 20 ADED CC[C@H](C#N)OC(=O)CSC1CC1 835212420 PEGMATNYUPQRFZ-SSDOTTSWSA-N 199.275 1.727 30 20 ADED CCN(CCO)N=C1CCC[C@@H]1C 842534965 JJJJGKLTIJXUAV-VIFPVBQESA-N 184.283 1.477 30 20 ADED C#C[C@@H](C)N(C)C(=O)/C=C(/C)COC 844499530 LETMQOHKZXRHKA-UJICNMFASA-N 195.262 1.059 30 20 ADED CC[C@H](C#N)C(=O)NOC1CCC1 846237902 NUILYKZYYPBFQN-SSDOTTSWSA-N 182.223 1.136 30 20 ADED CC#CC(=O)Nc1ncc(OC)s1 848038543 JIEOAWUHAGXZLI-UHFFFAOYSA-N 196.231 1.114 30 20 ADED C#CCOCCN[C@H]1CCC[C@@H]2C[C@H]12 852160833 CDCZPNIJBLNWIG-WOPDTQHZSA-N 193.290 1.414 30 20 ADED C=C(Cl)CN1C(=O)C[C@H](C)C1=O 853675482 TVKIARSIBXXHKC-YFKPBYRVSA-N 187.626 1.134 30 20 ADED C=CCCONC(=O)C(C)(C)C=C 856035591 FANDFPQMPSNJMY-UHFFFAOYSA-N 183.251 1.823 30 20 ADED CCC(C#N)(CC)C(=O)OCCCO 860195860 CNMBVMXPSHRTLI-UHFFFAOYSA-N 199.250 1.242 30 20 ADED Cc1cn(CCOC2CC2)cc1C#N 877878756 DLIFBYQFOIZNNJ-UHFFFAOYSA-N 190.246 1.847 30 20 ADED C=CC(C)(C)C(=O)N1C[C@H]2C=C[C@H]1C2 882426537 UZWFNAWNMCQZLK-UWVGGRQHSA-N 191.274 1.986 30 20 ADED CC(C)CO[C@@H](C)C(=O)O[C@@H](C)C#N 919286215 JCDIQSOYQKIBIW-IUCAKERBSA-N 199.250 1.503 30 20 ADED CC[C@H](C#N)NC(=O)CCC1(C)CC1 931331323 PYNBOUMBHRHAJW-SECBINFHSA-N 194.278 1.985 30 20 ADED C#CCN(CCCOCC)C(C)C 932390882 RKTPHEPKLHOODS-UHFFFAOYSA-N 183.295 1.757 30 20 ADED C=C(CC)C(=O)NCCC1CC1 1123619110 WSCGKHYYOTXTAD-UHFFFAOYSA-N 167.252 1.869 30 20 ADED CCC[C@H](O)CN1CCC(C#N)CC1 1190643346 KOJOCCVDIJAHPP-NSHDSACASA-N 196.294 1.383 30 20 ADED CC[C@@H]1CCCN1C(=O)C#CCOC 1333907934 JVUSXELQGLHZSN-SNVBAGLBSA-N 195.262 1.037 30 20 ADED C=C(C)CCC(=O)OCC#CC 1345307571 UUAGCMWUFMLKFW-UHFFFAOYSA-N 166.220 1.909 30 20 ADED C#CC[C@@H](C)OC(=O)/C=C\COC 1347260506 LFEZDMLWNVRISO-WILPJHFFSA-N 182.219 1.144 30 20 ADED C=CCCCCCN[C@@H](C=C)C(=O)O 1588799841 LKIRKSMQUIVEBY-JTQLQIEISA-N 197.278 1.962 30 20 ADED N#CC1(CNC(=O)[C@H]2CC23CC3)CC1 1635263055 SUABJONHOWTJCQ-MRVPVSSYSA-N 190.246 1.206 30 20 ADED C=CCN1C[C@H](C)O[C@H](C)C1 39136807 RFPLPPUXBNRZKC-DTORHVGOSA-N 155.241 1.282 30 20 ADED CCN(C[C@@H](C)C#N)C(=O)C1CCC1 42296090 KWIQICHDUNVFNI-VIFPVBQESA-N 194.278 1.795 30 20 ADED CCN(C[C@H](C)C#N)C(=O)C1CCC1 42296095 KWIQICHDUNVFNI-SECBINFHSA-N 194.278 1.795 30 20 ADED CCC[C@H](C)C(=O)N(C)[C@@H](C)C#N 45142843 RLALBJABHVNHDK-IUCAKERBSA-N 182.267 1.793 30 20 ADED C#CCNc1ncccc1[N+](=O)[O-] 47948276 MJQFOECNCWBGDK-UHFFFAOYSA-N 177.163 1.035 30 20 ADED C#CC(C)(C)NC(=O)c1ccc[nH]1 69679699 XEAPKEBZJHESNP-UHFFFAOYSA-N 176.219 1.156 30 20 ADED C#CC(C)(C)NC(=O)/C=C/C=C/C 69680179 KINICPQGQUQGGT-ZIRGRKGMSA-N 177.247 1.647 30 20 ADED C[C@@H](C#N)CN[C@@H]1CCOC(C)(C)C1 69890980 WRADIHIMBYIYML-VHSXEESVSA-N 196.294 1.693 30 20 ADED C=CCCn1cccc(C(=O)O)c1=O 70592883 QZAIKUZMYHHROX-UHFFFAOYSA-N 193.202 1.123 30 20 ADED N#CCc1ccnn1CC(F)(F)F 72338273 YWAMQKSFIRXQRG-UHFFFAOYSA-N 189.140 1.511 30 20 ADED C=C(CC)CN1CCC[C@@H]1C(=O)O 85059926 BBJUPYSMGLRMHA-SECBINFHSA-N 183.251 1.502 30 20 ADED Cc1ccc([C@H](O)CC#N)o1 85878175 DBDQVSJDTGXHMH-SSDOTTSWSA-N 151.165 1.535 30 20 ADED CSC[C@@H](C)NC(=O)[C@H](C)C#N 125132830 QRDMIHQDTPMFEV-RNFRBKRXSA-N 186.280 1.014 30 20 ADED CN(c1ccnc(C#N)c1)C1CCC1 135605200 RQKJQRMYXNAVAM-UHFFFAOYSA-N 187.246 1.942 30 20 ADED O=C(NO)c1ccc2ncsc2c1 136662207 KDEQLMAMPNRSPI-UHFFFAOYSA-N 194.215 1.415 30 20 ADED C#CCCCN(C)CC1(O)CCCC1 163025803 CWQOQFVXGGSSTR-UHFFFAOYSA-N 195.306 1.637 30 20 ADED C=C(C)CNCc1ccc(CO)cc1 167537849 YZLQXXITXCQDBJ-UHFFFAOYSA-N 191.274 1.845 30 20 ADED C=CC(=O)N1CCCC[C@@H]1C=C 220691764 UALVHHFBINEBOW-VIFPVBQESA-N 165.236 1.740 30 20 ADED CSC1(CNC(=O)[C@H](C)C#N)CC1 228639525 YGMZDIOEBWHABM-SSDOTTSWSA-N 198.291 1.158 30 20 ADED C#C[C@@H](CC)NC(=O)[C@H](N)CCCC 229984357 LLTNBULCKWEOHC-VHSXEESVSA-N 196.294 1.032 30 20 ADED C=C(C)CN[C@@H]1C[C@@H](OC)C1(C)C 234837890 NYDDVBNVRRFXNQ-NXEZZACHSA-N 183.295 1.966 30 20 ADED CC#CCNC(=O)c1cc(C)oc1C 238032244 RFKDGDUXLDFKDM-UHFFFAOYSA-N 191.230 1.650 30 20 ADED C=CCCCN1CC[C@@H](C)[C@H]1CO 299913858 ROMCTUVGFSOXHN-GHMZBOCLSA-N 183.295 1.655 30 20 ADED C=C(Cl)CN(CC)CCN 300861022 VHUAGCUHYHCDES-UHFFFAOYSA-N 162.664 1.020 30 20 ADED C#C[C@H](N[C@@H]1CCO[C@@H](C)C1)C(C)C 300877181 IKELXWYYDUASFF-TUAOUCFPSA-N 195.306 1.801 30 20 ADED C=C[C@H](NC1CCCC1)C(=O)OC 301049553 RPHLMBGGWFMQFR-VIFPVBQESA-N 183.251 1.246 30 20 ADED N#CCCCNc1ncccc1C#N 306737002 YFHGGHJNXRSAQL-UHFFFAOYSA-N 186.218 1.669 30 20 ADED C[C@H](CCC(C)(C)C)C(=O)NO 308012934 GOBZPMXYZQGZQT-SSDOTTSWSA-N 173.256 1.954 30 20 ADED C#C[C@@H](C)N(C)C(=O)CC(C)(F)F 308169568 YZNFVCVEJRLNPB-SSDOTTSWSA-N 189.205 1.512 30 20 ADED C=CCCC(=O)NC[C@@H](C)N(C)C 308327545 HQTRIHOPWUQXNI-SECBINFHSA-N 184.283 1.019 30 20 ADED CC(=NOC/C=C\Cl)c1ccn[nH]1 308338170 PGTHJJNFWRLSHI-RBVGHUSCSA-N 199.641 1.903 30 20 ADED CC(C)CN(C)C(=O)[C@]1(C#N)C[C@H]1C 336244142 IJGASHUQZGDBCG-KOLCDFICSA-N 194.278 1.651 30 20 ADED CNC(=S)N(C)N=CC(C)C 378975203 OUQDVXZZNHZHMY-UHFFFAOYSA-N 173.285 1.064 30 20 ADED C=CCCN(C)[C@H](C)CCOC 379333365 MESQPRPSWAPKCT-SNVBAGLBSA-N 171.284 1.919 30 20 ADED C=CCCOCC(=O)NC1(C)CC1 379357747 SKZRVNBFNRIYEW-UHFFFAOYSA-N 183.251 1.248 30 20 ADED C=C[C@](C)(O)CC(=O)NCC(C)C 379390322 NPCZHBVMYMMUFX-JTQLQIEISA-N 185.267 1.086 30 20 ADED CC[C@@H](C)NN=C(C)[C@@H]1CCOC1 379416813 SKCRREAEKMIDQE-PSASIEDQSA-N 184.283 1.787 30 20 ADED C[C@H]1SCCC1=NNc1nc[nH]n1 382107589 IZNZTBOHJNZJJJ-RXMQYKEDSA-N 197.267 1.098 30 20 ADED C[C@@H](C#N)CNN=C1CCS[C@@H]1C 382382225 JTKPYMYLXOPSFM-JGVFFNPUSA-N 197.307 1.617 30 20 ADED C[C@H](C#N)OC(=O)[C@H](C)C1CC1 388382696 TWTUQDFIGYVHJT-RNFRBKRXSA-N 167.208 1.488 30 20 ADED C/C=C(/CC)C(=O)O[C@H](C)C#N 388383299 VKMNQPYLVDGDOD-UDGZVJEDSA-N 167.208 1.798 30 20 ADED C#C[C@@H](CCC)NC(=O)N1CCC1 388609346 XGZMETBZYOPXBL-VIFPVBQESA-N 180.251 1.204 30 20 ADED CON=C(C)c1ccc(O)cc1O 388696737 MGINHLBOWIDVQM-UHFFFAOYSA-N 181.191 1.468 30 20 ADED C=C(C)CSCC(=O)NCC1CC1 388794062 MTRGQVHVACBPOD-UHFFFAOYSA-N 199.319 1.822 30 20 ADED COC[C@H](C)NN=Cc1ccco1 388826928 VOHZPKPSBRHQBT-QMMMGPOBSA-N 182.223 1.238 30 20 ADED CCOC1CC(NCC2(C#N)CC2)C1 389360738 SDDCIPGRPJVAQP-UHFFFAOYSA-N 194.278 1.447 30 20 ADED C=CCCN[C@@H](C)CCCCO 398519469 LREVUGFNCLCAPD-JTQLQIEISA-N 171.284 1.703 30 20 ADED N#CCC[C@@H](C#N)CNC1CCC1 591736850 VGTGUSXWGOEILQ-VIFPVBQESA-N 177.251 1.572 30 20 ADED 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ADED C=C(C)CNC(=O)/C(C)=C\C 307271827 IQTQRZHHXYJEAR-YVMONPNESA-N 153.225 1.645 30 20 ADED O=CC1(Cc2cncc(F)c2)CC1 307415594 XTMMFRBDAMRDIZ-UHFFFAOYSA-N 179.194 1.742 30 20 ADED Cc1nscc1C(=O)O[C@H](C)C#N 307429862 UXNBFMLWVGJGLT-RXMQYKEDSA-N 196.231 1.520 30 20 ADED C=CC(=O)[C@H]1CCCN[C@@H]1C 307567641 UMYZZAXFYHPGSS-SFYZADRCSA-N 153.225 1.130 30 20 ADED C=CCCN(C)[C@@H]1CCSC1 307731768 NVVGWTMPJACCMK-SECBINFHSA-N 171.309 2.000 30 20 ADED C=CC[C@H](CC)NCc1csnn1 308229782 OHRAMBUAUBMGQY-QMMMGPOBSA-N 197.307 1.982 30 20 ADED C=CCN(C)C(=O)[C@H]1[C@@H](C)C1(F)F 308266337 QBGAIZKBYHWWQQ-RNFRBKRXSA-N 189.205 1.532 30 20 ADED CC#CCNC(=O)C[C@H](C)C1CC1 308326089 GAPDSMIHMRBPBT-VIFPVBQESA-N 179.263 1.562 30 20 ADED C=C[C@@H]1CCCCN1Cc1cnc[nH]1 336090173 SZBSHYIKHGOSGX-LLVKDONJSA-N 191.278 1.950 30 20 ADED N#Cc1cccc(N2CC[C@H](F)C2)n1 336189483 XXISASXEZVDOEI-QMMMGPOBSA-N 191.209 1.501 30 20 ADED C=C(C)CN1CC[C@H](SC)C1 336237242 ULFHGKGKHGRXHE-VIFPVBQESA-N 171.309 2.000 30 20 ADED CC#CCNC(=O)c1ccnc(C)c1 336253085 FJOYMHFHHISGPI-UHFFFAOYSA-N 188.230 1.143 30 20 ADED C=C[C@H](C)NC(=O)c1cncc(F)c1 336548641 SAOXJTKHCXGQGA-ZETCQYMHSA-N 194.209 1.525 30 20 ADED CC(C)CNN=Cc1nccs1 378852572 HARWDNLVDVVSBP-UHFFFAOYSA-N 183.280 1.723 30 20 ADED C#CCCCN1CCC[C@H]1COC 379402198 MNJXQLBPBKDILV-NSHDSACASA-N 181.279 1.511 30 20 ADED N#CCSCC(=O)NCCC1CC1 381897755 AYTRDCIWBXGMEL-UHFFFAOYSA-N 198.291 1.159 30 20 ADED CC#CCCN[C@@H](C)[C@@H]1CCCCO1 382307435 VLENORBOJIGSAG-RYUDHWBXSA-N 195.306 1.947 30 20 ADED CON=Cc1ccc(C#N)cc1 388404193 QVGXUVXKJGOXGN-UHFFFAOYSA-N 160.176 1.539 30 20 ADED CC(=NN[C@H]1CCOC1)C1CCC1 388592180 BBTAZERZKXGZLK-JTQLQIEISA-N 182.267 1.541 30 20 ADED C=CCOCC(=O)NCC1CCC1 388740366 XQFAGKQYPHHNPH-UHFFFAOYSA-N 183.251 1.105 30 20 ADED C=C[C@H](COC)NC1CC(OCC)C1 389290049 YOTBSZZPAJGAPN-KPPDAEKUSA-N 199.294 1.345 30 20 ADED CC[C@H](O)CN[C@H]1CCC[C@H](C#N)C1 389295321 GAYFEIGSJSYTLB-DCAQKATOSA-N 196.294 1.429 30 20 ADED CC[C@H]1CCC1=NNC(=S)NC 393320513 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ADED C=C(C)CCN1CCC2(C1)OCCO2 307350842 ZITZEHXBXBNJLM-UHFFFAOYSA-N 197.278 1.401 30 20 ADED CON=C1CC(OC(C)C)C1 307478010 MUFWFEDULULZBS-UHFFFAOYSA-N 157.213 1.576 30 20 ADED Cc1ccoc1CN(C)CC#N 307563565 PLIAHPDOMHMGKF-UHFFFAOYSA-N 164.208 1.543 30 20 ADED C[C@@H]1C[C@@H](O)CN1CC1(CC#N)CC1 307610901 IWEHSMHLCSMABQ-NXEZZACHSA-N 194.278 1.135 30 20 ADED C[C@@H](C#N)CN(C)CC1(C)CC1 307960723 WITYRPRWNJWPSL-VIFPVBQESA-N 166.268 1.878 30 20 ADED C#C[C@H](C)N(C)C(=O)/C(C)=C\CC 308247626 XXGIYOZKJZMSCW-QROTZFDESA-N 179.263 1.823 30 20 ADED Cc1ccoc1C=NNCC(F)F 308386571 VCPHDGXLVWZZGS-UHFFFAOYSA-N 188.177 1.777 30 20 ADED C=CCN[C@H]1CCC[C@@H]1C(=O)OC 308487661 PVSAIFKGIFYZCV-IUCAKERBSA-N 183.251 1.104 30 20 ADED C=CCCCN[C@@H](C(=O)OC)C1CC1 308543021 NCWPLMLBJZORIX-SNVBAGLBSA-N 197.278 1.494 30 20 ADED CC(C)(C#N)CCN[C@H](CO)C1CC1 308648133 IUQGHMVCGJDVCN-SNVBAGLBSA-N 196.294 1.287 30 20 ADED C#CC[C@@H](N[C@H](C)C(C)C)C(=O)O 318870883 KHHLWPGDOOZTAV-RKDXNWHRSA-N 183.251 1.097 30 20 ADED C=CCN(C)C(=O)[C@@]1(C)CC1(F)F 335025214 OHPBEXMPTYYWHF-MRVPVSSYSA-N 189.205 1.676 30 20 ADED C=CCOCCOCc1ncc[nH]1 378945785 LOZNCEHMSGSWGP-UHFFFAOYSA-N 182.223 1.129 30 20 ADED C#CCCCC(=O)NCCCC#N 379376611 UFIZFKJODRWRBY-UHFFFAOYSA-N 178.235 1.210 30 20 ADED C#C[C@@H](NCC=C(C)C)[C@@H]1CCCO1 379585939 QEFPADNINBPMIR-NEPJUHHUSA-N 193.290 1.723 30 20 ADED C=CCN(C/C=C\C(=O)O)CCC 382474879 GWCXSKUWTJGLFN-WAYWQWQTSA-N 183.251 1.525 30 20 ADED C=CCCN(C1CC1)[C@H](C)C(=O)O 383027184 HWRUTQRLNSYBQE-MRVPVSSYSA-N 183.251 1.500 30 20 ADED C#C[C@@](C)(CC)NCCCCCCO 384131190 AOPXRLSOYVMVNH-LBPRGKRZSA-N 197.322 1.931 30 20 ADED C#C[C@](C)(CC)NCc1ccccn1 384181697 QJQVWNGLTLFHKO-GFCCVEGCSA-N 188.274 1.973 30 20 ADED CC(CC1CC1)=NNC1CC1 388159291 SYQWWALKFXXDML-UHFFFAOYSA-N 152.241 1.914 30 20 ADED CC(=Nn1cnnc1)C1CCCC1 388661007 VHAYJGBAXNOACB-UHFFFAOYSA-N 178.239 1.692 30 20 ADED CCn1cc(CNCCCC#N)cn1 389297019 GVFFJBSAYZUGKY-UHFFFAOYSA-N 192.266 1.296 30 20 ADED CCCC[C@@H](C)N(C)C(=O)CC#N 393538027 LSKMTSNNXIOCCP-SECBINFHSA-N 182.267 1.937 30 20 ADED C=CCCCN1C[C@@H](CO)C[C@@H](C)C1 398884179 ZWTHAFUXYVJVDQ-NEPJUHHUSA-N 197.322 1.903 30 20 ADED C=CCN(CCC#N)CCCCCO 590002656 NZHQKVZCCYGERI-UHFFFAOYSA-N 196.294 1.551 30 20 ADED N#CCN1CCc2c(O)cccc2C1 599644963 BJPZXAJFMJVKAD-UHFFFAOYSA-N 188.230 1.274 30 20 ADED N#C[C@H]1CC[C@H](SCCC(N)=O)C1 600606754 QVAIDDPFFSEYLM-YUMQZZPRSA-N 198.291 1.287 30 20 ADED C=CCCCN(C)Cc1nncn1C 605737724 SUUUJMAAIFIXGS-UHFFFAOYSA-N 194.282 1.213 30 20 ADED Cc1c[nH]cc1C(=O)NC1(C#N)CC1 609990270 GYZFDUFIKREMGG-UHFFFAOYSA-N 189.218 1.109 30 20 ADED C=C[C@H](C)NC(=O)NCCCCC#N 610685100 DGDLGWZOUPJBHO-VIFPVBQESA-N 195.266 1.554 30 20 ADED C=CCCNC(=O)[C@H](OC)C1CC1 617618131 DNODZNWTEYXYNO-SECBINFHSA-N 183.251 1.104 30 20 ADED CC#CCN(C)C(=O)CCC 647542154 WMPLDOKCDYPZDB-UHFFFAOYSA-N 153.225 1.268 30 20 ADED C=C(C)CCNC(=O)c1cccn1C 650931314 YBFZEXQFKFHGGY-UHFFFAOYSA-N 192.262 1.721 30 20 ADED C=C(C)C[C@H](C)C(=O)NC[C@@H](C)CN 653125510 BJNVBRZKMMHMIA-UWVGGRQHSA-N 198.310 1.300 30 20 ADED CC#CCCCC(=O)N[C@H](C)COC 680989563 VXWVDTIHIQVNJM-SNVBAGLBSA-N 197.278 1.331 30 20 ADED C=CCCN(C)C(=O)[C@H]1CCCCO1 682427362 NZOQALMNUXQGNZ-SNVBAGLBSA-N 197.278 1.590 30 20 ADED C[C@H](CCC#N)N1C[C@@H]2C[C@H]2C1 695787425 NBNMHJAPAHKECT-UTLUCORTSA-N 164.252 1.630 30 20 ADED C=C[C@H](CO)NC(=O)OC1CCCC1 717431224 MBSSTZFYQLNASP-MRVPVSSYSA-N 199.250 1.202 30 20 ADED C#CC(C)(C)NC(=O)c1ncoc1C 733976603 KNUMSRQFYMMGOQ-UHFFFAOYSA-N 192.218 1.125 30 20 ADED C#CCN1c2ccccc2OC[C@@H]1C 744422014 ZMUDYMYTEVOMNJ-JTQLQIEISA-N 187.242 1.907 30 20 ADED C#CCN(CC)CCN1CCCCC1 746457726 PISPWKSCQKTIBY-UHFFFAOYSA-N 194.322 1.427 30 20 ADED C#CCN(C)c1ccccc1N(C)C 749571890 RLRHXBAWIVRZEB-UHFFFAOYSA-N 188.274 1.822 30 20 ADED C#CCC(C)(C)C(=O)N[C@@H](C)C1CC1 767045981 UTJNIQQSJWCPME-VIFPVBQESA-N 193.290 1.951 30 20 ADED C#CCN(C)Cc1ccc(C#N)c(C)c1 785825786 OTKMBAHWXDPMKI-UHFFFAOYSA-N 198.269 1.932 30 20 ADED C#C[C@@H](C)N(C)C(=O)CCC(C)(C)O 787579807 BJURBASGHXRPSM-SECBINFHSA-N 197.278 1.018 30 20 ADED N#CC1(CNC(=O)C=C2CCC2)CC1 797779541 CHMHGASIRPHSEA-UHFFFAOYSA-N 190.246 1.517 30 20 ADED C#CCN(C)C(=O)NCCCC1CC1 812050931 CYCZKKRGEXCNTK-UHFFFAOYSA-N 194.278 1.451 30 20 ADED C[C@](NCCCC#N)(C(=O)O)C1CC1 827734849 MURRLFBWOWTVSN-SNVBAGLBSA-N 196.250 1.133 30 20 ADED CCC[C@@H]1C[C@H]1NC(=O)C#CC(C)C 829367390 HTEGGTQNEDBVJD-GHMZBOCLSA-N 193.290 1.951 30 20 ADED C=CCNN=Cc1ncc(C)o1 834977600 OJFFSHZUJGCTAO-UHFFFAOYSA-N 165.196 1.093 30 20 ADED CC/C(C)=C/C(=O)O[C@@H](C)C#N 838042760 YQRMYNCAVAEYBN-IVGLGHLBSA-N 167.208 1.798 30 20 ADED C=CCONC(=O)N[C@@H]1CCC[C@H]1C 838707746 ONDQQTPZGAGCJH-RKDXNWHRSA-N 198.266 1.592 30 20 ADED C#CCN1CC[C@H](C2CCC2)C1 839677575 SWEWQVYHWCYAKJ-NSHDSACASA-N 163.264 1.742 30 20 ADED CCCON=C1CCn2ccnc21 842551455 REITVCXQJISDIL-UHFFFAOYSA-N 179.223 1.418 30 20 ADED C#CCCNC(=N)NCCCCCC 849008445 JJLSWBGSBDIAOV-UHFFFAOYSA-N 195.310 1.704 30 20 ADED C#CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 859412009 PQDXMMYBORVSJV-IUCAKERBSA-N 187.233 1.843 30 20 ADED CC1(C#N)CN(c2nccs2)C1 893639091 BHJHRIMQZZRYJF-UHFFFAOYSA-N 179.248 1.493 30 20 ADED C=C(C)C(C)(C)C(=O)N[C@@H](C)C(=O)O 909129840 BRIMEHQOXMWSGL-ZETCQYMHSA-N 199.250 1.178 30 20 ADED C=C[C@H](C)N[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 925263311 QIEUQFMRKREXHL-DOUOGLJNSA-N 193.290 1.574 30 20 ADED C=C[C@@H](COC)NC(=O)C1(C)CCC1 1325635919 SGZDRTYEFPMGQF-VIFPVBQESA-N 197.278 1.494 30 20 ADED C=C(CC)C(=O)NCC(C)(C)CO 1519816470 DLSASRXDKUUFGB-UHFFFAOYSA-N 185.267 1.087 30 20 ADED C=C(C)CN[C@@H](CC(=O)O)C1CC1 1588569794 KUNZIKXSEREQEH-VIFPVBQESA-N 183.251 1.405 30 20 ADED CNCCCOc1cccc(C#N)c1 20524898 XIXNZYUTIQSKMT-UHFFFAOYSA-N 190.246 1.547 30 20 ADED C=C(Cl)CNC[C@@H]1CCCOC1 38045648 SSPNUIROAUPQHS-VIFPVBQESA-N 189.686 1.755 30 20 ADED CC[C@@H](C#N)C(=O)N1CC[C@H](C)C1 44824055 DLADVDJBHLMXMY-IUCAKERBSA-N 180.251 1.405 30 20 ADED C=C(Cl)CN1CCC[C@@H](O)C1 49773539 OQJMUPDOMPBYAA-MRVPVSSYSA-N 175.659 1.196 30 20 ADED CCN(CCC#N)CCCCCO 51020000 NVWVWMPGYBQGJC-UHFFFAOYSA-N 184.283 1.385 30 20 ADED CCCNc1c(C#N)c(C)nn1C 82583575 IGZXYNMINOPWAB-UHFFFAOYSA-N 178.239 1.422 30 20 ADED N#C[C@H]1Cc2ccc(F)cc2C(=O)O1 125249650 ZRHBWWJSAYSJPR-MRVPVSSYSA-N 191.161 1.431 30 20 ADED C=CCC[C@H](N[C@@H](C)CO)C1CC1 125367813 VYOBWERIQCMOCJ-ONGXEEELSA-N 183.295 1.702 30 20 ADED O=C(O)C#CC1C[C@H]2C[C@@H]2C1 126858965 HXBDYJGLGZYJIU-YUMQZZPRSA-N 150.177 1.121 30 20 ADED N#CCCn1cnc2c1CCCC2 127320395 XIJNCNGMZIFVLT-UHFFFAOYSA-N 175.235 1.676 30 20 ADED C#CCN(C)C(=O)[C@@H](C)CCC 130716092 PXCHNXFHCGXWPC-VIFPVBQESA-N 167.252 1.514 30 20 ADED CCc1cc(CC)n(CC=O)n1 132950857 HJMHZDMKMDXNDJ-UHFFFAOYSA-N 166.224 1.207 30 20 ADED N#C[C@H]1CCCC[C@@H]1NCC(F)F 147583476 GFTBLLFIUPFIKU-SFYZADRCSA-N 188.221 1.923 30 20 ADED C=CCCNC(=O)C1[C@H]2CCC[C@H]12 168935086 JWPMAOVSKHXOOY-IUCAKERBSA-N 179.263 1.725 30 20 ADED C=CCOC(=O)[C@@H](C)C(F)(F)F 222647714 MBNXDBLACHYWKR-RXMQYKEDSA-N 182.141 1.914 30 20 ADED CC(C)(C)C1CC(N=C(N)N)C1 224059446 PYTYONZGDQYLPR-UHFFFAOYSA-N 169.272 1.085 30 20 ADED C#C[C@H](CC)NC1CCOCC1 229513524 IXSLIOCVVOMJGJ-SECBINFHSA-N 167.252 1.167 30 20 ADED C=C[C@H](C)NC(=O)[C@@H]1CCCSC1 306487992 QXIILPGNMHXYEO-DTWKUNHWSA-N 199.319 1.820 30 20 ADED N#CC1(CSc2nnc[nH]2)CC1 306531176 IBFULDXIZUSWOS-UHFFFAOYSA-N 180.236 1.201 30 20 ADED CC(C)NC(=O)CC(C)(C)C#N 307613430 LVPFEKNEALQDCD-UHFFFAOYSA-N 168.240 1.451 30 20 ADED CCN(CC#N)CC1(C)CC1 307703635 RWEZPJMEYPEWEX-UHFFFAOYSA-N 152.241 1.632 30 20 ADED CON=C(C)c1occc1C 307912009 XHXQBHILAXJGGI-UHFFFAOYSA-N 153.181 1.958 30 20 ADED CC(C)[C@H](C)C(=O)O[C@H](C)C#N 307961301 XDEAOXUJHIJKPH-SFYZADRCSA-N 169.224 1.734 30 20 ADED C=C[C@@](C)(CC)C(=O)NCC#N 308037326 LFBUWCWJHKPYOD-VIFPVBQESA-N 166.224 1.228 30 20 ADED C#CCCOC(=O)c1ccoc1 308087804 QLNYJCAMIGTCRU-UHFFFAOYSA-N 164.160 1.460 30 20 ADED C=CCCC(=O)NC[C@H](C)SC 308143545 IQTKPIKCYAETFY-QMMMGPOBSA-N 187.308 1.820 30 20 ADED C=CCCC(=O)NOC1CCCC1 308264292 OJOQQLZIXQEPQR-UHFFFAOYSA-N 183.251 1.943 30 20 ADED C=CCNC(=O)CCCOCC=C 308336226 NZYZAQKPXXVOBJ-UHFFFAOYSA-N 183.251 1.271 30 20 ADED CCC[C@](C)(CC)C(=O)NCC#N 308357436 LELITCMHOXPPNE-JTQLQIEISA-N 182.267 1.843 30 20 ADED Cn1cnc(C=NOC2CCC2)c1 308420715 SRENXDVUMWUTLR-UHFFFAOYSA-N 179.223 1.323 30 20 ADED C[C@@H](C[C@@H]1CCOC1)NCCCC#N 308560757 FBVNTUFRODNZNE-QWRGUYRKSA-N 196.294 1.695 30 20 ADED CC[C@@H](CNC(=O)[C@@H](C#N)CC)OC 308568313 IZGATEMSVCASOV-BDAKNGLRSA-N 198.266 1.077 30 20 ADED CC[C@H](CC#N)N[C@H]1CC[C@@H](C#N)C1 308595933 MOHARUHEFWBDFK-MXWKQRLJSA-N 191.278 1.961 30 20 ADED CCCCn1c(C)nc(C#N)c1C#N 336125708 RVWMBBSKIYULJS-UHFFFAOYSA-N 188.234 1.735 30 20 ADED CCCNN=C(C)c1nccs1 379336560 RBCUGCTXIAGOAR-UHFFFAOYSA-N 183.280 1.867 30 20 ADED CCC#C[C@H](C)N[C@H](CCO)C1CC1 379599776 KDVQYCKHBMNEBB-CMPLNLGQSA-N 195.306 1.539 30 20 ADED N#CCCCN[C@@H]1CCC[C@@H](C#N)C1 379663945 UHFKLRLEXLQJKM-GHMZBOCLSA-N 191.278 1.962 30 20 ADED C=CCCC(=O)NOCCCOC 388586660 IOLGKNSBKBRRRK-UHFFFAOYSA-N 187.239 1.037 30 20 ADED CN1CCC(=NOC(C)(C)C)C1=O 388637632 NJFGNWDCPXWDJD-UHFFFAOYSA-N 184.239 1.020 30 20 ADED C=C(C)CN[C@@H](C)[C@H](C)C(=O)OCC 389214496 JYTQDYBYFFHVLQ-UWVGGRQHSA-N 199.294 1.740 30 20 ADED C#CCn1cc(-c2ccco2)cn1 409441195 XITIUQSRIPUMSD-UHFFFAOYSA-N 172.187 1.776 30 20 ADED C(#Cc1ccsc1)Cn1cccn1 585145502 YJDICMRKTBKVJH-UHFFFAOYSA-N 188.255 1.996 30 20 ADED CC/C=C\CNC(=O)NC[C@@H](C)C#N 590936264 ACUPURJPOPXULA-WBSSQXGSSA-N 195.266 1.411 30 20 ADED CCN(CCC#N)[C@@H]1CCO[C@H](C)C1 595335133 VNOAADFKLUUIQP-GHMZBOCLSA-N 196.294 1.789 30 20 ADED CO[C@H](CNCC1(C#N)CC1)C1CC1 602642077 HSIWDDMDZRYXTA-SNVBAGLBSA-N 194.278 1.305 30 20 ADED C=C[C@](C)(O)C(=O)N1CC=C(C)CC1 612997790 ZTCFMPFBVMPOKY-NSHDSACASA-N 195.262 1.102 30 20 ADED C=CC(C)(C)C(=O)N[C@H](CC)[C@@H](C)O 653859253 SKKQLPHANHHUGU-RKDXNWHRSA-N 199.294 1.474 30 20 ADED C=CCCN(C)C(=O)[C@@H]1CO[C@H](C)C1 682427278 KBCWHGUMSOQJJJ-ZJUUUORDSA-N 197.278 1.446 30 20 ADED C#C[C@H](N[C@H]1CO[C@H](C)C1)C(C)(C)C 702235924 GUISLLZSEHXSLE-MXWKQRLJSA-N 195.306 1.801 30 20 ADED CC[C@H](CC#N)NCc1nnc(C)o1 719094631 GMEKQIQMKCJSCV-MRVPVSSYSA-N 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IQRODRZNMXIUNG-UHFFFAOYSA-N 192.262 1.549 30 20 ADED CCN1CCCC[C@@H]1CNCCC#N 591735362 QSJBEUKUCDXHGS-LLVKDONJSA-N 195.310 1.364 30 20 ADED C[C@H](Cc1ccc(C#N)cc1)C(N)=O 594212842 NHFJBDOQMDBKRS-MRVPVSSYSA-N 188.230 1.222 30 20 ADED C=CCN(C)[C@H]1CCN(CC)[C@@H](C)C1 607155830 JUZSGHUGFUGFAX-RYUDHWBXSA-N 196.338 1.977 30 20 ADED C=CCOCCCC(=O)N(CC)CC 608103081 VKACTSFMHQIEPG-UHFFFAOYSA-N 199.294 1.838 30 20 ADED C=C[C@H](C)NC(=O)Cc1cscn1 612265056 SYDSYNKFOSJAHL-ZETCQYMHSA-N 196.275 1.376 30 20 ADED CC#CCCCC(=O)N[C@@H](C#N)CC 613400136 MPHZSKXGRWDDSW-SNVBAGLBSA-N 192.262 1.598 30 20 ADED C=C[C@@H](O)C(=O)NCCC=C(C)C 613915222 HRMPLLAAROKKNC-SECBINFHSA-N 183.251 1.006 30 20 ADED CC#CCN(C)C(=O)NC[C@H]1C[C@H]1C 655091545 QUPKMDDJWGWWGY-NXEZZACHSA-N 194.278 1.307 30 20 ADED C=CCN(C)[C@H]1COC(C)(C)C1 660327703 DYGPOCCTIDZDDH-SECBINFHSA-N 169.268 1.672 30 20 ADED C=CC[C@H](C)NC(=O)C[C@@H](C)COC 674800927 CDVVEBRLZTYRMU-ZJUUUORDSA-N 199.294 1.740 30 20 ADED C=C(C)CCN(C)C[C@H](C)C(=O)NC 681404841 ZPWHNYSBRILYRW-JTQLQIEISA-N 198.310 1.267 30 20 ADED C=C[C@@](C)(O)CC(=O)NCC1CCC1 685606945 RTQMRNNEDLKEBC-LLVKDONJSA-N 197.278 1.230 30 20 ADED O=C(NO)[C@@H]1C[C@@H]2C=C[C@H]1CC2 701275628 QFFGITDIWANLEV-GJMOJQLCSA-N 167.208 1.094 30 20 ADED CC[C@H](C#N)NC(=O)CCOC(C)C 716940238 HTPYSNMZEKDWTM-SECBINFHSA-N 198.266 1.220 30 20 ADED CC#CCOC(=O)/C=C\c1ccco1 744486349 KXCQIDWBIDUCQN-SREVYHEPSA-N 190.198 1.859 30 20 ADED C#CC(C)(C)NC(=O)C[C@H](O)CCC 750314289 UANYYVCERXTJFU-SECBINFHSA-N 197.278 1.066 30 20 ADED C#C[C@@H](CC)NC(=O)N1CC=CCC1 753246361 JYLVENHVRBAZQD-JTQLQIEISA-N 192.262 1.370 30 20 ADED C=CCCC(=O)OC[C@H]1CCCOC1 759608414 LRKHCONXBHVIOM-JTQLQIEISA-N 198.262 1.922 30 20 ADED C[C@@H](C#N)C(=O)Nc1ccc(F)nc1 766750200 PCPHHNLSZNTIPQ-LURJTMIESA-N 193.181 1.319 30 20 ADED C#CCCN1CCC[C@@]1(CO)CCC 769904879 QNHBEEQGFNCXHK-GFCCVEGCSA-N 195.306 1.637 30 20 ADED C#C[C@H](C)NC(=O)[C@H](C)OCC(C)C 772968047 CJFNCWXRJBRVKF-UWVGGRQHSA-N 197.278 1.185 30 20 ADED C#CCCCCCC(=O)N[C@H](C)CO 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PSVSDOXHLUGVSK-UHFFFAOYSA-N 193.254 1.421 30 20 ADED C=CC1(OC(=O)[C@@H]2CCCOC2)CC1 893365300 JZCNZRVHIXXPLE-SECBINFHSA-N 196.246 1.675 30 20 ADED CCOCC/N=C\c1ccccc1O 915983178 SFVORLOBFFBUEB-XFXZXTDPSA-N 193.246 1.848 30 20 ADED C=C(C)c1cc(CO)ccn1 929060789 CWQCLUZMRVPHGO-UHFFFAOYSA-N 149.193 1.607 30 20 ADED C[C@@H](OC(=O)CCF)C(C)(C)C#N 1122737068 DBRAPPXYPBFCCV-SSDOTTSWSA-N 187.214 1.827 30 20 ADED Cc1ncoc1CNCC1(C#N)CC1 1331545727 BUQLHWRGNSUKIZ-UHFFFAOYSA-N 191.234 1.376 30 20 ADED N#CCC[C@H](C#N)CN[C@@H]1C=CCC1 1335353067 QBYVZRLWWWEVDS-GHMZBOCLSA-N 189.262 1.738 30 20 ADED C=C[C@@H](C)NC[C@H](O)CCC(C)C 1336783189 GQWFYDNPMODZGO-GHMZBOCLSA-N 185.311 1.948 30 20 ADED C=C(CC)C(=O)N[C@H]1CCS[C@@H]1C 1352315136 RMWCEALJWZGUCO-BDAKNGLRSA-N 199.319 1.963 30 20 ADED C=C(CCC(=O)O)C(=O)NC1(C)CC1 1588621233 BJGGBJKIWCBBBU-UHFFFAOYSA-N 197.234 1.076 30 20 ADED CC(C)C[C@H](C)NC(=O)CC#N 37265267 HQOHYCBMTNHJRW-QMMMGPOBSA-N 168.240 1.451 30 20 ADED C[C@H](N(C)CC#N)C(C)(C)C 47848391 LIYYCPHRADRBJD-QMMMGPOBSA-N 154.257 1.876 30 20 ADED CC(C)[C@H](C)C(=O)NCCCC#N 69687021 DGONNSHCRPZNQA-VIFPVBQESA-N 182.267 1.698 30 20 ADED C=CCN(C(=O)COCC)C(C)C 70226579 SMPOCHCLKCKWJM-UHFFFAOYSA-N 185.267 1.446 30 20 ADED C=CCCCN1C[C@H](CO)OC[C@H]1C 88094611 STHZMJDIURSAJX-GHMZBOCLSA-N 199.294 1.034 30 20 ADED N#CCc1ccc2c(c1)COC2 95863144 SFWPXKOTKSAVCS-UHFFFAOYSA-N 159.188 1.783 30 20 ADED C#CCN(C)C(=O)OCC(F)(F)F 130973227 RHVOABDQVLYVRM-UHFFFAOYSA-N 195.140 1.250 30 20 ADED C=C[C@@H](C)NC(=O)[C@@](C)(N)CCC 158232024 PZYSBTDINHCNNZ-SCZZXKLOSA-N 184.283 1.195 30 20 ADED CC#CCCNCC1(O)CCCC1 165134105 GNORTLBHKSIHLS-UHFFFAOYSA-N 181.279 1.295 30 20 ADED CC#CCNc1cc(C(=O)O)ccn1 167982644 SEHSRSUTKVCLMR-UHFFFAOYSA-N 190.202 1.215 30 20 ADED C=CCCNC(=O)CC[C@H](C)OC 168935366 MZXNJANATSPWGC-VIFPVBQESA-N 185.267 1.494 30 20 ADED C[C@@H](C#N)CN(C)[C@@H]1CCCOC1 227080175 SJMVRELVBAYSCM-VHSXEESVSA-N 182.267 1.257 30 20 ADED C=CCCCN1C[C@H](C)O[C@@H](CO)C1 230017567 ZZPPIUPRGJFJNW-WDEREUQCSA-N 199.294 1.034 30 20 ADED CCCN(CC#N)CCN1CCCC1 230073966 RBBPSZGYEBWFCB-UHFFFAOYSA-N 195.310 1.318 30 20 ADED CC#CCCN1CC[C@H](C)[C@@H](O)C1 231391712 XAHAWKIZBJUCGS-QWRGUYRKSA-N 181.279 1.103 30 20 ADED CC#CCN[C@H]1C[C@H](OC)C1(C)C 234793810 HEJMARRAADNXFQ-UWVGGRQHSA-N 181.279 1.413 30 20 ADED CC#C[C@@H]1CCCCC[C@@H]1O 238043045 WWVJBWGSIOXMNT-ZJUUUORDSA-N 152.237 1.951 30 20 ADED CCOC(=O)C#Cc1cccc(N)c1 238283732 KAMVNNUWRZGCCC-UHFFFAOYSA-N 189.214 1.183 30 20 ADED N#Cc1cn[nH]c1NCc1ccncc1 259686541 KDPIKVOWISFPIM-UHFFFAOYSA-N 199.217 1.288 30 20 ADED C=C(C)CCN1CC[C@@H](C)[C@H]1CO 299912669 PLBHTKRWFIVFNV-GHMZBOCLSA-N 183.295 1.655 30 20 ADED C#C[C@H](C)Nc1ncc(C(=O)O)s1 306436250 GCGPKFGRNTZIRG-YFKPBYRVSA-N 196.231 1.275 30 20 ADED N#C[C@@]1(C[C@@H](O)CF)CCCS1 306622350 CWBDJFGMDRDXQH-SFYZADRCSA-N 189.255 1.496 30 20 ADED C#CC(=O)N1CC(C)(C)[C@H]1C1CC1 306674512 QNNGDHSFVDYGFP-SNVBAGLBSA-N 177.247 1.267 30 20 ADED C#C[C@H]1CCCC[C@]1(C)O 306912942 OGAXKUBPMDPSQI-IUCAKERBSA-N 138.210 1.561 30 20 ADED C#C[C@H](C)N(C)C[C@@H]1CCCCO1 307166118 NZWUSOKUCXRNPL-QWRGUYRKSA-N 181.279 1.509 30 20 ADED CCCCCC=NOCC(N)=O 307949984 NEMYBDIOWHEELW-UHFFFAOYSA-N 172.228 1.054 30 20 ADED C[C@@H](CCC(C)(C)C)C(=O)NO 308012936 GOBZPMXYZQGZQT-ZETCQYMHSA-N 173.256 1.954 30 20 ADED C#CCON=C(C)c1scnc1C 308169007 YPZNCYIWNXUZNS-UHFFFAOYSA-N 194.259 1.825 30 20 ADED CCOCCN[C@H]1CC[C@H](C#N)C1 308292320 FUSACYXVHZMVBR-UWVGGRQHSA-N 182.267 1.305 30 20 ADED C=CCCC(=O)N[C@@H](C)CCCCN 308559076 DBGUTIXDQCJPMH-JTQLQIEISA-N 198.310 1.586 30 20 ADED C=CCN1CC[C@H](N2CCCC2)[C@H]1C 335101391 ZKDMNFSXWCLKEE-NEPJUHHUSA-N 194.322 1.731 30 20 ADED C=C(Cl)CN[C@]1(CC)CCOC1 378845164 RGXLQZKGORVRPW-SECBINFHSA-N 189.686 1.898 30 20 ADED C=CCN(CC)C[C@H]1CCCO1 378864668 XWZZKBDOXNZNPW-SNVBAGLBSA-N 169.268 1.673 30 20 ADED CC(C)CNN=Cc1ccccn1 379401416 KTVAECCUANCQBG-UHFFFAOYSA-N 177.251 1.661 30 20 ADED C=CC[C@@H](C)NC1CCN(C=O)CC1 379576682 OPEILGQYXWTTGS-SNVBAGLBSA-N 196.294 1.161 30 20 ADED C#CCN(C(=O)CC1CC1)C1CC1 388276680 JHQSDFHZCKNYKX-UHFFFAOYSA-N 177.247 1.411 30 20 ADED C(=NOC1CCC1)c1cnc[nH]1 388411542 YDSCCIHGXDCDDK-UHFFFAOYSA-N 165.196 1.313 30 20 ADED C=C[C@@H](COC)N[C@H](C)C1CC1 388467682 KNVDFHYKODCPAZ-SCZZXKLOSA-N 169.268 1.576 30 20 ADED C=C(C)CCN(C)C[C@H](O)C1CC1 393721819 YTCDUCGOZOUSDD-NSHDSACASA-N 183.295 1.655 30 20 ADED C=C(C)CCNC(=O)C(C)(C)F 395730339 NSODTLWDZBDOHH-UHFFFAOYSA-N 173.231 1.817 30 20 ADED C#CCN1C[C@@H](CC)OC[C@@H]1CC 404062320 LSSXXQAPKHUSGA-WDEREUQCSA-N 181.279 1.509 30 20 ADED N#C[C@H](N)c1ccc(N2CCCC2)o1 409441796 RCFQLDLBODERBU-QMMMGPOBSA-N 191.234 1.403 30 20 ADED C=CC[C@H](CO)N[C@@H](C)[C@H]1CC12CC2 527890208 NUIYUMNWEACBFQ-HBNTYKKESA-N 195.306 1.702 30 20 ADED C=CCN(CC=C)C(=O)c1cocn1 591104464 QPYCUUSPJXWDFP-UHFFFAOYSA-N 192.218 1.489 30 20 ADED CC[C@@H](C#N)NC(=O)[C@@]12CCC[C@H]1C2 591511001 BXMNVVPQCUJPDG-ATZCPNFKSA-N 192.262 1.595 30 20 ADED C[C@H](CCC#N)CN1CC[C@@](C)(O)C1 602485161 PSAAXYCRVYHLAW-GHMZBOCLSA-N 196.294 1.383 30 20 ADED 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C=C[C@@H](C(=O)O)N(CC)CC1CC1 301043222 LIIQSHFBCGFQNF-VIFPVBQESA-N 183.251 1.358 30 20 ADED C=CCN1CCOC2(CCCC2)C1 306277279 FQYCLQFXBJACKR-UHFFFAOYSA-N 181.279 1.817 30 20 ADED C#CCNC(=O)c1cnc(CC)s1 306369258 IKJDUAUMXKTKOW-UHFFFAOYSA-N 194.259 1.069 30 20 ADED O=CC1([C@@H]2CCCC[C@@H]2O)CCC1 306466980 LNCMNXYEFSMVDP-ZJUUUORDSA-N 182.263 1.907 30 20 ADED C=CCN1CCN(CC)C[C@H]1C 306506895 WHDPDCPBEQZFNO-SNVBAGLBSA-N 168.284 1.198 30 20 ADED N#C[C@H]1O[C@]12CCc1c(F)cccc12 306730536 PNWREVRYFIBOMK-MNOVXSKESA-N 189.189 1.890 30 20 ADED C#C[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)C(C)C 307556611 OQRAWQNSESXEBL-WISYIIOYSA-N 195.306 1.800 30 20 ADED C=C(C)Cn1nnnc1CCC 307998805 XZGGHWVARYFEDO-UHFFFAOYSA-N 166.228 1.202 30 20 ADED C=CCCC(=O)NOC/C=C/Cl 308173849 YCNHVDARLWHDOS-GQCTYLIASA-N 189.642 1.753 30 20 ADED C=CCN(CCC#N)CCCC#N 308406928 MLNSXFGLRJTJRL-UHFFFAOYSA-N 177.251 1.692 30 20 ADED N#Cc1ccn(CC[C@@H]2CCCO2)c1 335857208 JGTBDXDDXRMWPF-NSHDSACASA-N 190.246 1.929 30 20 ADED C=C[C@H](CO)N[C@@H]1CCC[C@H]1C 379315706 UIMXROMXTFUGAW-OPRDCNLKSA-N 169.268 1.312 30 20 ADED C=CCN(C)C(=O)COCCCC 379372089 JAZWABGBRAYPMB-UHFFFAOYSA-N 185.267 1.448 30 20 ADED CCON=C(C)c1cnn(CC)c1 388307865 QHCHJPXCHJEUTK-UHFFFAOYSA-N 181.239 1.664 30 20 ADED Cc1ccnc(CN[C@H](C)CC#N)c1 392837026 KRIIIMHGAGMUMX-SNVBAGLBSA-N 189.262 1.782 30 20 ADED CC/N=C(/NCC)NOC1CCCC1 395849605 NWTDJEVQJHXPTK-UHFFFAOYSA-N 199.298 1.436 30 20 ADED C=CCOCCN(CCCO)C1CC1 404309807 MZLPELHRWXOIDF-UHFFFAOYSA-N 199.294 1.036 30 20 ADED N#CCCc1c[nH]nc1-c1cnccn1 409441078 QBDBAWOKPKNASP-UHFFFAOYSA-N 199.217 1.323 30 20 ADED N#CCCCC(=O)Nc1ccccn1 589682788 PJLVNKMDSAYVFW-UHFFFAOYSA-N 189.218 1.714 30 20 ADED Cc1cncc(CNCCC#N)c1 591758082 YGGDDEGATVGVRH-UHFFFAOYSA-N 175.235 1.393 30 20 ADED C=C[C@H](CO)NCCC(C)(C)C#N 595863467 HOZBULWXPDHJEC-SECBINFHSA-N 182.267 1.063 30 20 ADED C=CCNC(C)(C)C(=O)OC(C)(C)C 599658048 CPNFOFNCHUKPIF-UHFFFAOYSA-N 199.294 1.882 30 20 ADED CCC(C#N)(CC)c1nc(CN)no1 601926229 VYRYDVGAEFHWDV-UHFFFAOYSA-N 194.238 1.110 30 20 ADED CCO[C@@H](C)C(=O)N(C)C[C@H](C)C#N 604437476 GZCNCORMIWBABP-BDAKNGLRSA-N 198.266 1.029 30 20 ADED CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)C#N 617787903 KBZIICFTPIBZCO-NGZCFLSTSA-N 194.278 1.697 30 20 ADED C=C[C@@H]1OCC[C@H]1NC[C@H]1C[C@H]1C 648745603 NAIFVHBYNYLUJO-DBIOUOCHSA-N 181.279 1.576 30 20 ADED C=CCN(C)CC1(CC(=O)O)CC1 652386254 MREUJXAMEVVNNL-UHFFFAOYSA-N 183.251 1.359 30 20 ADED C=C(C)CCN[C@@H](C)Cn1cncn1 658027113 JVTHQTNMOGTIKS-JTQLQIEISA-N 194.282 1.222 30 20 ADED C=CCN(C)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C 669664511 OZZVGAIBZKRXPC-KXUCPTDWSA-N 197.278 1.444 30 20 ADED C=C(C)CN(C)C1(C(N)=O)CCCC1 677475811 IUDRHAYQTZIFKP-UHFFFAOYSA-N 196.294 1.292 30 20 ADED C=C(C)CCN1CCO[C@@H](COC)C1 681404437 SESDDTJYUJNKCU-LLVKDONJSA-N 199.294 1.300 30 20 ADED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)CO 682360615 JWNGGNUJVBNKFS-KOLCDFICSA-N 199.294 1.333 30 20 ADED C=CCCN(C)CC(=O)N[C@H](C)CC 682435448 SPHGDZBZJCOTPY-SNVBAGLBSA-N 198.310 1.409 30 20 ADED C#CCCCN1CC[C@@H](OC(C)C)C1 701673983 RUZGMERXICVPEE-GFCCVEGCSA-N 195.306 1.899 30 20 ADED C#CCCN1CCO[C@H](C(C)(C)C)C1 708880101 QNCRRWYDBKXBMV-NSHDSACASA-N 195.306 1.757 30 20 ADED C=CCNC(=O)[C@H](C)OC(=O)CCC 728858520 PTOYFHXVNBDPPX-QMMMGPOBSA-N 199.250 1.020 30 20 ADED CC#CCNC1(C(=O)O)CCCCC1 736116425 AKOMMFJIICKQSH-UHFFFAOYSA-N 195.262 1.387 30 20 ADED CCCCOCC(=O)O[C@H](C#N)CC 753422154 KUAZHXLXFDBIIP-VIFPVBQESA-N 199.250 1.648 30 20 ADED C=CCC1(C(=O)NCCC#N)CCC1 787618966 GRGJUTKAKFWEOJ-UHFFFAOYSA-N 192.262 1.763 30 20 ADED C#C[C@H](CCC)NC(=O)c1cocn1 791739589 GWRHOXLDSWKSHO-MRVPVSSYSA-N 192.218 1.206 30 20 ADED C#CCN(C)CCn1nc(C)cc1C 792305720 NYWVPTIXIWIMDU-UHFFFAOYSA-N 191.278 1.065 30 20 ADED C#CCON=C1CC(C)(C)OC1(C)C 812232919 JKBMSWDXHQTCEM-UHFFFAOYSA-N 195.262 1.970 30 20 ADED C=C[C@@H](O)C(=O)OCC1CCCCC1 814551027 QCYJJUVHJYOSAV-SNVBAGLBSA-N 198.262 1.657 30 20 ADED CC(C)C#CC(=O)NC[C@H]1CC1(C)C 827426743 ZKFSMOWFDKYRMQ-SNVBAGLBSA-N 193.290 1.808 30 20 ADED C#CCCOC(=O)c1ccn(CC)n1 830745776 OISCASSOOFPQLN-UHFFFAOYSA-N 192.218 1.083 30 20 ADED C#CCNN=C(C)c1cnc(C)s1 835007844 IXNSPGAJVISJGA-UHFFFAOYSA-N 193.275 1.398 30 20 ADED COCC[C@H](C)OC(=O)C#CC1CC1 838366722 LYEKGBIJQLUASN-VIFPVBQESA-N 196.246 1.368 30 20 ADED C=CCONC(=O)NC[C@@H](C)C1CC1 838704405 VKUDOSZGSBSLMN-MRVPVSSYSA-N 198.266 1.449 30 20 ADED C#CCN[C@@H](C)[C@](C)(OC)C1CC1 839640155 PWNGDJXPYJPLCE-ONGXEEELSA-N 181.279 1.413 30 20 ADED C=C(CC)CONC(=O)C1CCC1 842116640 QLSLETYFAOEXSP-UHFFFAOYSA-N 183.251 1.801 30 20 ADED C#CCOCCN(CC=C)C(C)(C)C 852554695 USTCBXDEMCUGMV-UHFFFAOYSA-N 195.306 1.923 30 20 ADED CC#CC(=O)NC[C@@H](CCC)OCC 862416138 MRFKEZCTKMCPSV-SNVBAGLBSA-N 197.278 1.331 30 20 ADED Cc1ccccc1C[C@@H](C)C(=O)NO 863856901 SDEKUBDTFCVBME-SECBINFHSA-N 193.246 1.679 30 20 ADED C=C(C)CONC(=O)c1nocc1C 869153566 UYQQILYBNOQWTP-UHFFFAOYSA-N 196.206 1.221 30 20 ADED C=CCNC(=O)[C@@H]1CCN1C(C)(C)C 895474712 RHEZFHMUQPXGQT-VIFPVBQESA-N 196.294 1.161 30 20 ADED C=C1CC(c2noc(COC)n2)C1 896890764 NUHVDCMSXIYZPA-UHFFFAOYSA-N 180.207 1.650 30 20 ADED C=C[C@H](COC)NC(=O)NC1(C)CC1 1116644507 PNCKLMKHQJFALY-MRVPVSSYSA-N 198.266 1.039 30 20 ADED C=C(C)CCC(=O)NC(C)(C)C#N 1262734468 XTTSEQIVGVSVCJ-UHFFFAOYSA-N 180.251 1.761 30 20 ADED CCc1nnc(C#CC2CC2)o1 1326954540 IWJXYWQVMCZUSF-UHFFFAOYSA-N 162.192 1.394 30 20 ADED C=C(C)CCC(=O)NC[C@@H]1CCCO1 1335333038 DNGDFQMUIGCJLW-JTQLQIEISA-N 197.278 1.638 30 20 ADED C=C(C)CCC(=O)Nc1nncs1 1336290920 WYFMPSLDZVURDC-UHFFFAOYSA-N 197.263 1.833 30 20 ADED C=C(CC)C(=O)N1CCOCC[C@H]1C 1528961666 YYSVHMRWTNRRNY-SNVBAGLBSA-N 197.278 1.590 30 20 ADED C#CCn1nc(C(=O)O)cc1C1CC1 1588511335 UWVAKVUPLCSMAR-UHFFFAOYSA-N 190.202 1.092 30 20 ADED C=C(C)CCN1C[C@@H]2C[C@@H]2[C@@H]1C(=O)O 1776139473 XVRHYOAUQXIBMB-LPEHRKFASA-N 195.262 1.358 30 20 ADED N#C[C@@]1(N)CCc2ccccc21 22164855 FBOXQAUPZPLJJT-JTQLQIEISA-N 158.204 1.310 30 20 ADED C=CCn1cc(CCC(=O)O)cn1 40543377 KWVWYTOMWLKPCZ-UHFFFAOYSA-N 180.207 1.086 30 20 ADED C=CCCC(=O)NCCCCC(=O)O 69731713 FZDUTWNMUIHKMC-UHFFFAOYSA-N 199.250 1.324 30 20 ADED CC[C@H](C)C(=O)N1CCC[C@H](C#N)C1 70663193 JRONKIHCYHRYCC-VHSXEESVSA-N 194.278 1.795 30 20 ADED CCOCCN(C)C(=O)[C@@H](C#N)CC 87977526 VKWOEINGXXTZQL-SECBINFHSA-N 198.266 1.031 30 20 ADED C=CCCC[C@H](C)OS(C)(=O)=O 90225750 RKJPJLRKSQFXCB-QMMMGPOBSA-N 192.280 1.707 30 20 ADED in-vitro C=C(C)[C@@H]1OCC[C@H]1C(=O)O 97054134 RJHZCJXTRNHKPJ-RQJHMYQMSA-N 156.181 1.052 30 20 ADED CCCCCCCNC(=O)CNC 100075106 LCATWBZOMUKKAR-UHFFFAOYSA-N 186.299 1.292 30 20 ADED C=CCC[C@H](C)NCCCOC 126707294 LRBQTGJZYMIPLM-JTQLQIEISA-N 171.284 1.967 30 20 ADED C=CCC[C@H](C)NC[C@H](C)CCO 126853477 UTDQENZNIVFOAP-MNOVXSKESA-N 185.311 1.949 30 20 ADED COCCCCN1CCC[C@@H](C#N)C1 130889639 UQDRLUAISZZJEH-NSHDSACASA-N 196.294 1.649 30 20 ADED C=C(CC)CN1CC[C@H](O)[C@H](C)C1 164670132 XADHRQLSAGNRFX-MNOVXSKESA-N 183.295 1.655 30 20 ADED C#C[C@H](C)NC(=O)c1ccc(C)s1 165229823 VBHWSOFVCNNWRY-ZETCQYMHSA-N 193.271 1.808 30 20 ADED C=C(C)CNCc1cc[nH]n1 167480323 IUQYQDAIFFHERN-UHFFFAOYSA-N 151.213 1.075 30 20 ADED CC(C)N(CCC#N)C(=O)C(F)F 232642226 HYLIXCJFIVAOOU-UHFFFAOYSA-N 190.193 1.402 30 20 ADED C#C[C@@H](CC)Nc1nc(C)ns1 233902876 DYTGEQVBKNKTBO-ZETCQYMHSA-N 181.264 1.670 30 20 ADED C=CCN[C@H](CCO)c1ccccc1 238655204 ARPURVAOTVZDQG-GFCCVEGCSA-N 191.274 1.886 30 20 ADED C=CCN1CC[C@@H](CC(=O)O)C1(C)C 259565449 YEPXYXQBPMFRQS-VIFPVBQESA-N 197.278 1.748 30 20 ADED C[C@H](CCC#N)N1CCC[C@H](O)C1 306287881 LJBUGWXNYKKWIN-ZJUUUORDSA-N 182.267 1.135 30 20 ADED C[C@H]1C[C@@H]1C(=O)[C@H](C)C=O 306351956 YMELBVJMIMGDIT-XVMARJQXSA-N 140.182 1.047 30 20 ADED O=CC1(C[C@H]2CCC[C@@H](O)C2)CC1 306378692 TZNNHWGGTDPFAL-VHSXEESVSA-N 182.263 1.907 30 20 ADED C=C(Cl)Cn1cnc([N+](=O)[O-])c1 307118795 RCVFPRIVGJAPGY-UHFFFAOYSA-N 187.586 1.544 30 20 ADED CC#CC(=O)Nc1cccc(F)c1 307223939 KLNFSZXDBJLVLN-UHFFFAOYSA-N 177.178 1.788 30 20 ADED C#CCNC(=S)N1CC[C@H](C)[C@@H]1C 307582588 VQOCPLXSGPCIIM-IUCAKERBSA-N 196.319 1.224 30 20 ADED C[C@@H](CO)N[C@H]1CCC[C@H](C#N)C1 307618758 UKRYCGLMYUNEFS-GUBZILKMSA-N 182.267 1.039 30 20 ADED C#C[C@@H](C)N(C)CCC(=C)C 307644126 SFXPZTDXSDZZSZ-SNVBAGLBSA-N 151.253 1.906 30 20 ADED C#CCSc1nnc(NC)s1 307686529 CWRUYGHPXBDWOQ-UHFFFAOYSA-N 185.277 1.305 30 20 ADED CC#CCCN1C[C@@H](O)C(C)(C)C1 307751676 OXAGSJDJMCBLPM-SNVBAGLBSA-N 181.279 1.103 30 20 ADED N#CCCNC[C@@H]1CCCSC1 307972582 ZDYJPRSKHDLSPN-VIFPVBQESA-N 184.308 1.633 30 20 ADED C#CCCCC(=O)NCC(C)C 308049042 QYHPGQSWXPEMEJ-UHFFFAOYSA-N 167.252 1.562 30 20 ADED C=C[C@H](O)C(=O)OCCCC(C)C 308290231 GJSNGAIRJCUDQN-VIFPVBQESA-N 186.251 1.513 30 20 ADED CSCCON=C(C)c1ncc[nH]1 308317294 XVTQQWLDEYRDQQ-UHFFFAOYSA-N 199.279 1.513 30 20 ADED C=CCCCC(=O)N(C)C[C@@H](C)O 308327412 HNZXMAUIEMQEAQ-SECBINFHSA-N 185.267 1.182 30 20 ADED C#CCON=CCC1CCOCC1 308353416 ZSSZBIUSBMPIHS-UHFFFAOYSA-N 181.235 1.439 30 20 ADED C#C[C@@H](CC)NC(=O)OCC1CC1 308464256 IPNBZQNVUCOFRY-VIFPVBQESA-N 181.235 1.534 30 20 ADED C#CCONC(=O)[C@H](CC)CCCC 308585058 RJFXPWUSDZUFLJ-SNVBAGLBSA-N 197.278 1.884 30 20 ADED C=CCN(C)C(=O)Nc1ccnn1C 334916218 PSPNFLLVYDIVIY-UHFFFAOYSA-N 194.238 1.070 30 20 ADED CN(CCC#N)C(=O)C1CC(C)(C)C1 336410353 HUXAOJARFOYUHF-UHFFFAOYSA-N 194.278 1.795 30 20 ADED C#CCOCSc1nccn1C 378861950 RZHVERSEFKUPHI-UHFFFAOYSA-N 182.248 1.120 30 20 ADED C[C@H](C#N)CNN=C[C@H]1C[C@@H]1C 379314862 QEHJRDWPRUXKKT-HRDYMLBCSA-N 165.240 1.377 30 20 ADED CC#CCNC(=O)CSCCCC 379362262 HACKNWPSKWIWAG-UHFFFAOYSA-N 199.319 1.659 30 20 ADED C#CCN(CC#CC)CCCCF 379402096 MGPHKHHLIADDFU-UHFFFAOYSA-N 181.254 1.695 30 20 ADED CC(=NNC[C@@H](C)C#N)C1CCC1 379419897 ZFIINRQINNYYPT-QMMMGPOBSA-N 179.267 1.912 30 20 ADED CC[C@H](CN[C@H]1CC[C@@H](C#N)C1)OC 379570560 CVXSQLAAGOIJKO-OUAUKWLOSA-N 196.294 1.693 30 20 ADED C=C1CCN(C(=O)CCCCO)CC1 382587223 VIHOGWOOSAUWOK-UHFFFAOYSA-N 197.278 1.328 30 20 ADED C=CCN(C)Cc1ccc(C(=O)O)o1 383785995 YMAQTHIWUBDISI-UHFFFAOYSA-N 195.218 1.596 30 20 ADED C=C[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C 393679710 UKSCDGKWEXSLIK-NHCYSSNCSA-N 194.322 1.633 30 20 ADED C=CCCN1C[C@H](C)C[C@@H](C(=O)O)C1 398944378 XGVOKJHOAFOKLV-NXEZZACHSA-N 197.278 1.605 30 20 ADED C[C@H](C#N)CNCc1ccc(F)cn1 529544305 XRHNELJLLNMUFV-MRVPVSSYSA-N 193.225 1.470 30 20 ADED N#CC1(C[C@H](O)CN)CCCCC1 536956105 VIQNQDNJSLIZLZ-VIFPVBQESA-N 182.267 1.170 30 20 ADED CC[C@@H](NCCC#N)[C@@H]1CCCO1 591026310 HBQVXRHNSDPTMJ-ZJUUUORDSA-N 182.267 1.447 30 20 ADED CC[C@@H](C)C[C@H](CO)NCCC#N 592430111 FAJIBEWSTFSDFB-NXEZZACHSA-N 184.283 1.287 30 20 ADED C[C@@H](O)CN(CC1(C#N)CC1)C1CC1 594066301 VCWOGXZGSRPZJO-SECBINFHSA-N 194.278 1.135 30 20 ADED CC(C)[C@@H](C#N)NC(=O)CCCF 597187387 GBVFVRAJDVVEDF-MRVPVSSYSA-N 186.230 1.400 30 20 ADED CC(C)C[C@H](C#N)NC(=O)C1(C)CC1 611249719 QECRHHFAHIMRTD-SECBINFHSA-N 194.278 1.841 30 20 ADED CC(C)CN(C)C(=O)NCCCC#N 612161457 SYEWPKQKPSQUOY-UHFFFAOYSA-N 197.282 1.588 30 20 ADED COCCN(CC#N)[C@H]1CC[C@H](C)C1 616873164 WSVJKJRTKYGOHL-QWRGUYRKSA-N 196.294 1.647 30 20 ADED C=C(CC)CN1CC[C@@H](NC(C)=O)C1 643254209 PJYAWVQABSVWLT-LLVKDONJSA-N 196.294 1.163 30 20 ADED C=CCN(C)C[C@@H]1C[C@H]2CC[C@H]1O2 649455756 XVSRXGHHECFEKB-HBNTYKKESA-N 181.279 1.672 30 20 ADED C=C[C@H](O)C(=O)N(CCCC)C1CC1 666080506 BQDUGLDKEWMREV-JTQLQIEISA-N 197.278 1.324 30 20 ADED C=CCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC 671717147 RBEQAUXRSFFRFT-HGCLJGPKSA-N 193.290 1.528 30 20 ADED C#CCCN1CCCC[C@H]1[C@H](C)O 685969333 IECFQAYZTMWBDV-QWRGUYRKSA-N 181.279 1.245 30 20 ADED C=C(Cl)CNC(=O)C(F)(F)CC 700624251 DWRQNAPGLUPRSR-UHFFFAOYSA-N 197.612 1.900 30 20 ADED C=C(Cl)CN1C[C@@H](C)[C@H](CN)C1 708872493 VJCUDGBFSUQIHC-VXNVDRBHSA-N 188.702 1.266 30 20 ADED C=C/C=C\CCN1CCOC[C@@H]1C#N 713656834 NCALMDWTNOPGQO-BYCRGOAPSA-N 192.262 1.343 30 20 ADED C#CC[C@@H](CO)N[C@@H](C)C(C)C 717749838 QMXHKBOPIDAGPX-UWVGGRQHSA-N 169.268 1.005 30 20 ADED CC/C=C(/C)C(=O)N(CC#N)CC#N 729355064 WBULXJOOMGXRBB-WTKPLQERSA-N 191.234 1.218 30 20 ADED C#CCN(CC)CCCCOC 746457953 WLSNMHBVBAQCPT-UHFFFAOYSA-N 169.268 1.368 30 20 ADED C[C@@H]1CN(C2CC2)CC1=NNC1CC1 758133329 MIUUQCYRYHTKCG-MRVPVSSYSA-N 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VIROXDWUMHIBFP-UHFFFAOYSA-N 191.234 1.018 30 20 ADED C#CCN(CC#N)CC1CC(F)(F)C1 829454373 NHOPVVOFVGDWOP-UHFFFAOYSA-N 198.216 1.490 30 20 ADED C=CC(C)(C)C(=O)O[C@@H](C)COC 835158589 MYEOTZMFWMRQEX-QMMMGPOBSA-N 186.251 1.777 30 20 ADED C#C[C@@H](C)NC(=O)C1=CC[C@H](C)CC1 836782941 MWRLWSUJVLYBSS-VHSXEESVSA-N 191.274 1.871 30 20 ADED C#CCC(C)(C)C(=O)N(C)[C@H](C)C#N 839368102 WGXMQMKABVRKMW-SECBINFHSA-N 192.262 1.406 30 20 ADED C#CCOC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845227523 MPALCZOEGIUPAE-OUAUKWLOSA-N 190.242 1.765 30 20 ADED C=C[C@H](C)ONC(=O)[C@H]1C[C@H]1OCC 846548945 HWXKDIJPMLISFI-XHNCKOQMSA-N 199.250 1.034 30 20 ADED CC(C)(O)CNN=Cc1cccs1 863140685 OJUWHDUUGUUMAN-UHFFFAOYSA-N 198.291 1.443 30 20 ADED C#CCCCCCCN[C@H](C)CO 876964737 OMQGXYSXEOCVMS-LLVKDONJSA-N 183.295 1.541 30 20 ADED CCC/N=C(/NC1CC1)NC(C)(C)C 912505670 CRFGPBMSPDYNIC-UHFFFAOYSA-N 197.326 1.893 30 20 ADED C#CCN(Cc1cnsn1)C(C)C 932384403 RPFZAMOWFWNWSP-UHFFFAOYSA-N 195.291 1.382 30 20 ADED C=CCC[C@H](C)N[C@@H](CC=C)C(=O)O 1119536776 QIUUZAXBQDWQPD-UWVGGRQHSA-N 197.278 1.960 30 20 ADED CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1F 1143446147 QXYGPGILTYRRBK-CSMHCCOUSA-N 184.214 1.153 30 20 ADED CC[C@@](C)(C#N)c1nnc(C)o1 1333091996 MJNQAPPOOFDYNK-QMMMGPOBSA-N 165.196 1.569 30 20 ADED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1F 1338985622 KSWNZKSIOHDAHV-SFYZADRCSA-N 171.215 1.379 30 20 ADED C#C[C@H](NC(=O)[C@@H]1C[C@@H]1F)C(C)(C)C 1340759608 NILOBQZHZSUBEM-VGMNWLOBSA-N 197.253 1.509 30 20 ADED C=C(CC)C(=O)N[C@H]1CS[C@@H](C)C1 1349942200 WCBKORWQZMEVAD-DTWKUNHWSA-N 199.319 1.963 30 20 ADED C=C[C@@H](C)Nc1ncc(O)cn1 1515547517 JDBXBKRBBICQRB-ZCFIWIBFSA-N 165.196 1.169 30 20 ADED CC(C)CNN=C1CC[C@@H](C(=O)O)C1 1591379437 AQLJUTAJSHGXRG-MRVPVSSYSA-N 198.266 1.473 30 20 ADED C=CCN(CC=C)CCCC(=O)O 11798370 YYWNJIGIQZJUOW-UHFFFAOYSA-N 183.251 1.525 30 20 ADED C=CCCO[C@H](C)C(=O)OCC 43638137 UZZRGACWXMPTPH-MRVPVSSYSA-N 172.224 1.531 30 20 ADED C=CCCC(=O)N(CCO)CCCC 54400501 ZGRQWEASDORSJG-UHFFFAOYSA-N 199.294 1.574 30 20 ADED C=CCN1CCC[C@](C)(C(=O)O)C1 62876134 YTZMVRNISGSWAY-JTQLQIEISA-N 183.251 1.359 30 20 ADED C=CCCCCCOS(C)(=O)=O 66354250 GEPCNXOXMSQWCH-UHFFFAOYSA-N 192.280 1.709 30 20 ADED C=CC[C@@]1(C(=O)O)CCOC1 86336690 XWOQCVINBTWKOL-MRVPVSSYSA-N 156.181 1.054 30 20 ADED C=CCCC(=O)NCC(C)(C)CO 133536176 LKRQYKGORFTJHW-UHFFFAOYSA-N 185.267 1.087 30 20 ADED C#CCCN1CC[C@H](CC)C1 133738149 WRDDBXWPHJFISH-JTQLQIEISA-N 151.253 1.742 30 20 ADED C=CC(=O)[C@H]1CCC[C@@H]1CN 135421265 KCMQDNSDCKITEM-SFYZADRCSA-N 153.225 1.117 30 20 ADED Cc1cccc([C@H]2O[C@@H]2CO)c1 148544448 SWGFEEOVOVYCSV-NXEZZACHSA-N 164.204 1.427 30 20 ADED C=C(C)COCCNCCCC 168609028 YBYKYYWOBZDKNR-UHFFFAOYSA-N 171.284 1.969 30 20 ADED C[Si](C)(C)C#CC(=O)C(F)F 170012533 DCQYZIDNCGTYAH-UHFFFAOYSA-N 176.238 1.701 30 20 ADED in-vitro C=CCOC(=O)C[C@@H](O)CCC 222681040 XORUOYCRFOGHCM-QMMMGPOBSA-N 172.224 1.267 30 20 ADED C=CCSCCNC(=O)C(F)F 226402802 SSYBVSCVBFGROK-UHFFFAOYSA-N 195.234 1.287 30 20 ADED O=CC1(Cc2cnns2)CCC1 306304965 LDUFHCJFONOQQC-UHFFFAOYSA-N 182.248 1.450 30 20 ADED C#CCNC(=O)[C@@H]1CCC[C@H](C)C1 306444799 PMPVMZNBUDLVDJ-VHSXEESVSA-N 179.263 1.562 30 20 ADED CC#CCNC(=O)C1(CC)CCC1 306714811 XSACLRHSXSDDKM-UHFFFAOYSA-N 179.263 1.706 30 20 ADED O=C(O)CNN=C1CCCCCCC1 306953978 NEJVEVQGQXWQKO-UHFFFAOYSA-N 198.266 1.761 30 20 ADED C[C@@H](C(=O)NCC#N)C1CCCC1 307106521 YNZKQBCFIHTLCY-MRVPVSSYSA-N 180.251 1.452 30 20 ADED C#C[C@H]1CCCC[C@H]1C(=O)OC 307123732 PLRLMBHZZBBRQF-DTWKUNHWSA-N 166.220 1.599 30 20 ADED CC[C@@H](S)[C@@H]1CCOC1 307263796 WHZMECDUUHMLOX-RNFRBKRXSA-N 146.255 1.731 30 20 ADED C/C=C/C=C/C(=O)OCC#N 307645154 XDZPWNZWXRNERI-MQQKCMAXSA-N 151.165 1.185 30 20 ADED CC[C@H](C=O)C(=O)C1CCC1 307655574 OZNDYYIGOYXFHG-SSDOTTSWSA-N 154.209 1.581 30 20 ADED C=CCCC(=O)NOCCSC 307941011 XOCJLSJJGOUPER-UHFFFAOYSA-N 189.280 1.363 30 20 ADED CCO[C@@H]1CC(=NOC)C1(C)C 307973514 IUXYELRMLUYELV-MRVPVSSYSA-N 171.240 1.824 30 20 ADED CCC(CC)=NN[C@H]1CCCOC1 308318103 WXMCDNUEQLQFHV-JTQLQIEISA-N 184.283 1.931 30 20 ADED C=CCOC(=O)C[C@H]1CCCOC1 308346241 VOBZOGFSZIUPKE-SECBINFHSA-N 184.235 1.532 30 20 ADED C=CCN(CC=C)Cc1csnn1 308348001 WQHGNHFMNNDYPK-UHFFFAOYSA-N 195.291 1.712 30 20 ADED CO[C@H](C(=O)O[C@@H](C)C#N)C(C)C 308373078 QXSUTFHJALMJTR-YUMQZZPRSA-N 185.223 1.113 30 20 ADED C=C(CC)CN[C@H]1CCn2ccnc21 313498151 MAFXVNCXKJZROH-JTQLQIEISA-N 191.278 1.884 30 20 ADED CC#CCN(C)C(=O)[C@@]12CCC[C@@H]1C2 335551397 TYLQAOIENFCUBS-ZYHUDNBSSA-N 191.274 1.658 30 20 ADED N#C[C@H]1COCCN1[C@H]1C=CCCC1 336487957 SFGAUVXHEIWNFH-QWRGUYRKSA-N 192.262 1.319 30 20 ADED C=CCNC(=S)N(CC=C)C1CC1 379407530 YWJDRXUIWTYITI-UHFFFAOYSA-N 196.319 1.697 30 20 ADED C#CCCSc1n[nH]c(COC)n1 379413603 MDAVRAHSBNTDHE-UHFFFAOYSA-N 197.263 1.067 30 20 ADED C#CCCCOCc1ncc[nH]1 388496187 KBVJIYZFTPIVLG-UHFFFAOYSA-N 164.208 1.340 30 20 ADED C=C[C@@H](COC)NC1CC(OCC)C1 389290050 YOTBSZZPAJGAPN-WHXUTIOJSA-N 199.294 1.345 30 20 ADED COCCCCN[C@@H]1CC[C@H](C#N)C1 389299887 LRRMNTHCSBXQEV-WDEREUQCSA-N 196.294 1.695 30 20 ADED Cc1ccnc(C#CCCO)c1 585144294 JKMOMAOPDQRNFH-UHFFFAOYSA-N 161.204 1.124 30 20 ADED Cc1cnc(C#CCCCO)c(F)c1 585145101 XLAIMUHHAKPLBX-UHFFFAOYSA-N 193.221 1.653 30 20 ADED C[C@H]1C[C@@H](C(=O)NCC#N)CC[C@H]1C 590627525 ZIRWCGDUOTXTPW-UTLUCORTSA-N 194.278 1.698 30 20 ADED CC(C)[C@@H]1C[C@H]1CNC(=O)CC#N 590874681 VSWYQZBGJXTOFW-IUCAKERBSA-N 180.251 1.308 30 20 ADED CO[C@H]1CCN([C@@H](C)CCC#N)C1 591015708 DNHRXKFIEUBHNB-UWVGGRQHSA-N 182.267 1.399 30 20 ADED CO[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 604006488 IHGIUIZZGCAASS-WPRPVWTQSA-N 198.266 1.076 30 20 ADED C=CC[C@H](C)NC(=O)CCCOCC 604880993 KBJWIXJSVIUXPL-JTQLQIEISA-N 199.294 1.884 30 20 ADED Cc1nc(CN(C)[C@H](C)CC#N)no1 610728911 FLBJLGJKVMHHLF-SSDOTTSWSA-N 194.238 1.112 30 20 ADED CC[C@@H](C)OCC(=O)N[C@@H](C)CC#N 611030668 OYBYJTAXRAGVCN-DTWKUNHWSA-N 198.266 1.220 30 20 ADED C=C(C)CN(C)C[C@H]1C[C@@H](O)C1 643251932 ZHLHBWSBRWWIID-AOOOYVTPSA-N 169.268 1.265 30 20 ADED C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@@H](C)OC 651433841 SOAZZPXYCFMHSU-DBIOUOCHSA-N 199.294 1.343 30 20 ADED C=CCCCN1C[C@@H](C)[C@](C)(CO)C1 662138039 BKJPCPDZMWOHOU-NEPJUHHUSA-N 197.322 1.903 30 20 ADED C=CCCNc1cc(CO)cc(C)n1 664226655 OWHJXOSICDXQBV-UHFFFAOYSA-N 192.262 1.870 30 20 ADED C=C[C@H](O)C(=O)N(CCC)CC1CC1 665180394 HLGCCTNEIXROCF-JTQLQIEISA-N 197.278 1.182 30 20 ADED C=C(C)CN(C)C(=O)[C@](C)(O)C1CC1 672232765 DWRIVUSTRVNSPM-LLVKDONJSA-N 197.278 1.182 30 20 ADED C=CCNC(=O)C[C@@H]1CCCC[C@H]1O 684828757 WPBOOVKJQUXDNG-VHSXEESVSA-N 197.278 1.230 30 20 ADED C[C@H](CO)NN=C1CCC[C@@H]2C[C@H]12 686242659 GKSLRJYXBJVVMB-HLTSFMKQSA-N 182.267 1.133 30 20 ADED C=C[C@H](CO)N[C@@H]1CCCC1(C)C 717570945 NMWAANMWPNWTID-NXEZZACHSA-N 183.295 1.702 30 20 ADED CC[C@@H]1C[C@H]1CN(CC)CC#N 723121683 ALCMBNUMSWUVNA-ZJUUUORDSA-N 166.268 1.878 30 20 ADED C=CCC[C@H](O)CN1CC[C@@H](OC)C1 760876453 KWZIHSBFOTUQGZ-WDEREUQCSA-N 199.294 1.034 30 20 ADED CC#CCCOC(=O)C1(O)CCCC1 765439258 DSFUFKSECYPHFW-UHFFFAOYSA-N 196.246 1.248 30 20 ADED C#CCCCOC(=O)[C@@H]1CCO[C@@H]1C 771094682 YCRZJEGDZUOHAM-NXEZZACHSA-N 196.246 1.368 30 20 ADED CC[C@H](OC)C(=O)OCC1(C#N)CC1 775855566 SYAFBOOOHOGDQN-QMMMGPOBSA-N 197.234 1.258 30 20 ADED C=C(C)CN1CC[C@H](C(=O)OC)[C@@H]1C 787327183 MCFYAPVVSVETEG-UWVGGRQHSA-N 197.278 1.446 30 20 ADED C#C[C@H](CC)NC(=O)CCC(C)(C)O 787578781 YMIVVIOIBDTKEY-SECBINFHSA-N 197.278 1.066 30 20 ADED CC[C@H](C)NN=Cc1cnn(CC)c1 790188492 JMLZJLKMFCSTLW-VIFPVBQESA-N 194.282 1.625 30 20 ADED N#Cc1ccncc1C(=O)OCCF 805717428 ZSOGUEGDAWLOAF-UHFFFAOYSA-N 194.165 1.080 30 20 ADED C#CCCn1ccc2ccncc2c1=O 810009439 YTRIAYSKPVPDHC-UHFFFAOYSA-N 198.225 1.420 30 20 ADED C#C[C@H](C)N(C)CCC1(OC)CCC1 815103369 SLCYRGJLNGBTBG-NSHDSACASA-N 195.306 1.899 30 20 ADED CC(C)CNN=C1C[C@@H](C)O[C@@H]1C 834967983 BTTQMPYHHHXSDI-RKDXNWHRSA-N 184.283 1.785 30 20 ADED C#CCCN1CCC([C@H](C)CO)CC1 844418644 ZWDOWFQQXKXPCO-LLVKDONJSA-N 195.306 1.350 30 20 ADED COCCON=C[C@H](OC)C1CC1 853313966 IJGGTQIYLJYGGV-VIFPVBQESA-N 187.239 1.060 30 20 ADED C#CCON=Cc1nc(C)c(C)[nH]1 853347688 NXFXMRBWIDSOJJ-UHFFFAOYSA-N 177.207 1.010 30 20 ADED C=C(Cl)Cn1ccnc1C(C)=O 853694648 SRBBLKZTKWILIV-UHFFFAOYSA-N 184.626 1.838 30 20 ADED C#C[C@H](CC)NC(=N)NC(CC)CC 864465127 PZEXHTWNKDYELS-SECBINFHSA-N 195.310 1.701 30 20 ADED Fc1ccc(C=NN2CCC2)cc1 872394304 DUMGPQHEWUTJIZ-UHFFFAOYSA-N 178.210 1.865 30 20 ADED C#CCN(CCOC)C1CCCC1 917100490 PYDSAPHKRLDWLL-UHFFFAOYSA-N 181.279 1.511 30 20 ADED CC#CCN1CC[C@](CO)(C(C)C)C1 1329943951 DLSHWYNIGHKWJQ-LBPRGKRZSA-N 195.306 1.350 30 20 ADED C=CCN(c1nnnn1CC)C(C)C 1332940137 PLCRUPGUCANPFB-UHFFFAOYSA-N 195.270 1.094 30 20 ADED C#CC[C@H](C)OC(=O)/C=C/COC 1347260503 LFEZDMLWNVRISO-IWGCBNPKSA-N 182.219 1.144 30 20 ADED CNC(=O)CS[C@@H]1CC[C@@H](C#N)C1 1613726560 SOZKMQAVZDKTDE-HTQZYQBOSA-N 198.291 1.158 30 20 ADED C=CCN(CCC(=O)O)C[C@@H](C)CC 1776178134 KYOZLMUBGZPFEU-JTQLQIEISA-N 199.294 1.995 30 20 ADED CN(C)C=Cc1ccncc1C#N 1857776946 VLYFSWYHMLCYCY-UHFFFAOYSA-N 173.219 1.486 30 20 ADED N#Cc1ccccc1SCC(N)=O 339042 GLDRREXPIHBUMY-UHFFFAOYSA-N 192.243 1.136 30 20 ADED CCc1cccc(N)c1C#N 34049613 YORYMELVDSCEHF-UHFFFAOYSA-N 146.193 1.703 30 20 ADED C#C[C@H](NCC)C(C)C 78737706 HBLIHUGZBOILQR-QMMMGPOBSA-N 125.215 1.254 30 20 ADED C=CC[C@H](C)NCc1c[nH]nc1C 124242773 XYRAZFZCXLNEPC-QMMMGPOBSA-N 179.267 1.772 30 20 ADED C=C(CC)CN1CCC[C@@](C)(O)C1 162058572 PLOIFRYCWISBBD-LLVKDONJSA-N 183.295 1.799 30 20 ADED C=CC[C@@H](C)Nc1nnc(C)c(C)n1 164500757 BNSNXZWRBRALGJ-SSDOTTSWSA-N 192.266 1.865 30 20 ADED CO[C@@H](C)[C@H](C)NCCCCC#N 167262917 CMMXYDWWWWHSEE-UWVGGRQHSA-N 184.283 1.693 30 20 ADED C/C(=C\CN(C)[C@@H](C)CC#N)C(=O)O 214563367 FJZCLPHHQVGBFS-QRJSTWQJSA-N 196.250 1.251 30 20 ADED C#C[C@H](CCC)N[C@@H](CC)C(=O)OC 228728480 FSYZAESFYMUOEJ-ZJUUUORDSA-N 197.278 1.330 30 20 ADED C#C[C@@H](CC)NC(=O)c1ccoc1 233906226 QXBCQHPEXYXDTR-VIFPVBQESA-N 177.203 1.421 30 20 ADED C=CCC[C@@H](NC(C)=O)C(=O)OCC 238305399 DHPSCGXVNWBILB-SECBINFHSA-N 199.250 1.020 30 20 ADED CC(C)[C@H](O)CN(C)C[C@@H](C)C#N 300883124 NCLLLEIQDQTLIP-VHSXEESVSA-N 184.283 1.095 30 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197.278 1.067 30 20 ADED C[C@@H](CO)S[C@H](C)CCC#N 709975915 MCIZCFNJVDDMMP-SFYZADRCSA-N 173.281 1.793 30 20 ADED CC#CC[C@H](CO)N[C@@H](CC)C(C)C 717777485 UHXAZTIZSVLXGD-NEPJUHHUSA-N 197.322 1.785 30 20 ADED C#C[C@@H](C)N(C)C[C@H]1CCC(C)(C)O1 769975762 MGDYEKWENKRIIB-GHMZBOCLSA-N 195.306 1.898 30 20 ADED C=CCCCC(=O)N1CCC(=O)CC1 778567733 JOOYXCFHCLYVKS-UHFFFAOYSA-N 195.262 1.534 30 20 ADED C#CCNC(=O)[C@H]1CCCC[C@H]1CC 792833560 DGJSNIMDDPEJDB-MNOVXSKESA-N 193.290 1.952 30 20 ADED C#CCC(C)(C)C(=O)O[C@H]1CCOC1 810574291 OECDRKGDLSPPAQ-VIFPVBQESA-N 196.246 1.368 30 20 ADED C/C=C(/C)C(=O)OCCOCCC#N 815217399 DBXYSEYCGIUHBQ-OQFOIZHKSA-N 197.234 1.426 30 20 ADED CCC1(CC)C(=O)NCCC1=NOC 819806718 YSLDARBEUWUHJQ-UHFFFAOYSA-N 198.266 1.315 30 20 ADED C#CCCNC(=O)[C@]1(C)CC=CCC1 823326669 KJRIVSBACSQXGY-GFCCVEGCSA-N 191.274 1.872 30 20 ADED C#CCCNC(=O)NCC(C)(C)C=C 836301279 JXHXUQKUDYKMFL-UHFFFAOYSA-N 194.278 1.521 30 20 ADED C#CCC(C)(C)C(=O)N(C)[C@@H](C)C#N 839368107 WGXMQMKABVRKMW-VIFPVBQESA-N 192.262 1.406 30 20 ADED C#C[C@@H](C)N(C)C(=O)/C=C\OCC 841201357 UPMNROXIGGDQGL-UFGYOYAJSA-N 181.235 1.017 30 20 ADED C#C[C@@H](CC)NC(=O)/C=C/OCC 841256006 QTPHFEWBKGGLDR-FLOXNTQESA-N 181.235 1.065 30 20 ADED CN(CC#N)C(=O)/C=C/C1CCCC1 843780508 NJZQAVZRVOTWBE-VOTSOKGWSA-N 192.262 1.715 30 20 ADED F[C@@H]1CCCC1=NNC1CC1 872365239 IGDRCMWIWFXLRP-SSDOTTSWSA-N 156.204 1.616 30 20 ADED Cc1cc(C=NN2CCC2)no1 872398591 YINGVJGACRAFFG-UHFFFAOYSA-N 165.196 1.023 30 20 ADED CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1C2 887033204 ZKAAPVAUNYAXMF-ZYHUDNBSSA-N 191.274 1.705 30 20 ADED C[C@@H]1CCCC(=NN2CCOCC2)C1 916581669 RKTWBXOLXKAKMG-SNVBAGLBSA-N 196.294 1.885 30 20 ADED C=C(C)CN1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 930833842 IGCQPNRNLGXLTA-IVZWLZJFSA-N 196.294 1.160 30 20 ADED C=C(C)CCC(=O)NCC1(C#N)CC1 1347061208 UOVYFYMNYROQEE-UHFFFAOYSA-N 192.262 1.763 30 20 ADED C=C(C)CCN[C@H]1CCC[C@@H]1C(=O)O 1609226724 VJLBVSGIZUWBLK-UWVGGRQHSA-N 197.278 1.796 30 20 ADED CC#CCC(C)(C)C(=O)O 38995533 VOVWUMAAGRLKRK-UHFFFAOYSA-N 140.182 1.511 30 20 ADED Cc1cc(C(=O)NC(C)(C)C#N)on1 44349468 CHIGYXDHPCPDDW-UHFFFAOYSA-N 193.206 1.015 30 20 ADED Cc1cccc(NC(=O)[C@@H](C)C#N)n1 44813011 BRJFHOSGUJSYOQ-ZETCQYMHSA-N 189.218 1.488 30 20 ADED C=C(CC)CNCC1CCN(C)CC1 85058125 MBAVCAIRPVQHEU-UHFFFAOYSA-N 196.338 1.884 30 20 ADED CC[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](C)C1 86014434 XQIZDNLRGOYXJK-OPRDCNLKSA-N 194.278 1.651 30 20 ADED C[C@@H]1SCCN(CC#N)[C@@H]1C 124408649 ZDPRJJBKFPKUDI-SFYZADRCSA-N 170.281 1.336 30 20 ADED C=C[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 157220977 LMWYDTWLFPXIGO-HBNTYKKESA-N 182.311 1.633 30 20 ADED C#CCCCN[C@@](C)(CCC)C(=O)O 163153124 APLFEFSNOQIFSP-NSHDSACASA-N 197.278 1.633 30 20 ADED C#C[C@H](C)NC(=O)c1cccc(F)c1 165295649 ZABKRDWTIHPAGB-QMMMGPOBSA-N 191.205 1.577 30 20 ADED CCOC1CC(NC[C@@H](C)C#N)C1 169196078 GSWRBNKGXDNXDN-IDKOKCKLSA-N 182.267 1.303 30 20 ADED C#CCCCCC(=O)N[C@H](C)CCO 222958340 KDZJQIQMKODAQX-SNVBAGLBSA-N 197.278 1.067 30 20 ADED COCC[C@H](C)N1CCC[C@@H](C#N)C1 225611888 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1.769 30 20 ADED C#CC(=O)N1C[C@H](C)CC1(C)C 307181096 MEZFZPGEXNVUMD-MRVPVSSYSA-N 165.236 1.267 30 20 ADED C=CCN1C[C@H](C)O[C@H](CC)C1 307741238 INSBLOQKNGGKAR-VHSXEESVSA-N 169.268 1.672 30 20 ADED C#CCCN(CC)C[C@@H](C)OC 307996276 WMFTYEHULRYYAS-SNVBAGLBSA-N 169.268 1.367 30 20 ADED C#CCCNC1(C2CC2)CCOCC1 308508429 JSQXXJHSGCOPRN-UHFFFAOYSA-N 193.290 1.559 30 20 ADED C=C[C@H](CO)NCc1ccc(C)cn1 308736361 LOXYZEFSAFXXPA-SNVBAGLBSA-N 192.262 1.027 30 20 ADED C=C(C)CN1CCC[C@H]1C(=O)N(C)C 334291048 MLBBCDWMFMOPDH-JTQLQIEISA-N 196.294 1.115 30 20 ADED C=CCN1CCC[C@@H](N2CCCC2)C1 334372223 YFGSEXPJCNBYKJ-GFCCVEGCSA-N 194.322 1.733 30 20 ADED C[C@H]1C[C@@H](N2CCCC2)CN1CC#N 336383866 JBRAEDBNKWWLCQ-WDEREUQCSA-N 193.294 1.069 30 20 ADED C[C@@H](C#N)CN(C)CCCCF 379314010 KREBUQIFGILFGX-VIFPVBQESA-N 172.247 1.828 30 20 ADED CCOCCON=C(C)[C@H](C)OC 379357157 QOJVGTRZPYGKCO-VIFPVBQESA-N 189.255 1.450 30 20 ADED CC(C)OCCNN=C[C@@H]1C[C@H]1C 379419249 XRTVGLCQGKCICY-ZJUUUORDSA-N 184.283 1.643 30 20 ADED C#CCN[C@H](COC)c1ccc(C)o1 379563960 AKSZRIYIBZSBLQ-SNVBAGLBSA-N 193.246 1.498 30 20 ADED C=C(C)CCOC(=O)CCOC 388383630 WHCPUCVFSXNAQD-UHFFFAOYSA-N 172.224 1.532 30 20 ADED C#CCCN[C@@]1(C)CCO[C@H]1C1CC1 389225429 PVAVQJGLYZCGHX-RYUDHWBXSA-N 193.290 1.557 30 20 ADED C#CCCCN[C@H](C#C)[C@H]1CCCO1 389255535 GCSRZXYWOKFTSH-VXGBXAGGSA-N 191.274 1.170 30 20 ADED CC[C@H](C)N(C)c1cncc(C#N)n1 401186415 FKHOYMMOIMLFAQ-QMMMGPOBSA-N 190.250 1.583 30 20 ADED C[C@H]1CC[C@H](C(=O)NCC#N)CC1 593445122 VKLKVLYTJPROAQ-KYZUINATSA-N 180.251 1.452 30 20 ADED N#Cc1cc(N2CC[C@@H]3C[C@@H]3C2)ccn1 596508159 BJBPBDIFXQVVCE-NXEZZACHSA-N 199.257 1.799 30 20 ADED C=CCNC(=O)c1cc(C(C)C)no1 603681597 LKPOATZVDLOBCO-UHFFFAOYSA-N 194.234 1.714 30 20 ADED N#CCCN(CC1CC1)C(=O)C1CC1 609142662 NAHMZGWZJCVLSX-UHFFFAOYSA-N 192.262 1.549 30 20 ADED C[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC#N)C1 611453325 LNSQOCNYYUEIEP-OPRDCNLKSA-N 194.278 1.841 30 20 ADED C=CCCCN1C[C@H](N)C[C@@H]1C 631858842 FBIRTMSVBQJMHX-VHSXEESVSA-N 168.284 1.374 30 20 ADED C=CCCCCn1cc(C(N)=O)cn1 642220652 ZPHHUUDMNIYMOJ-UHFFFAOYSA-N 193.250 1.338 30 20 ADED C=CCCCCN[C@H](C)C1CNC1 643481960 PWCYPMUPILTBON-SNVBAGLBSA-N 182.311 1.540 30 20 ADED C=CCCCCN[C@@H]1COC[C@H]1OC 646044610 CYUUTTHDELOPMO-GHMZBOCLSA-N 199.294 1.346 30 20 ADED C=CCCOCC(=O)N(C)CC#CC 647541749 TYKXWLGEYMWBQT-UHFFFAOYSA-N 195.262 1.061 30 20 ADED C=C(CC)CNC(=O)N(C)C1CC1 656252834 CZAHCSJSQZXQQL-UHFFFAOYSA-N 182.267 1.756 30 20 ADED C=CCCNC(=O)N[C@@H]1C[C@H]1C(C)C 661307744 HBDGSFOPLNYGCB-VHSXEESVSA-N 196.294 1.906 30 20 ADED C=C[C@H](C)NC(=O)[C@@H]1C[C@@]12CCOC2 680854939 FJKJJXQNIYLONA-ATZCPNFKSA-N 195.262 1.104 30 20 ADED C=CCCN1CCN(C)[C@H](C(C)C)C1 683099207 VBCWNUAUKFBPCW-LBPRGKRZSA-N 196.338 1.835 30 20 ADED C=C1CN(C(=O)C2(C#N)CC(C)C2)C1 688698446 LVZPYGMXBJZUDS-UHFFFAOYSA-N 190.246 1.325 30 20 ADED C[C@H](C=O)Cc1ccon1 716320867 SAFDEMBRFFEOPY-LURJTMIESA-N 139.154 1.052 30 20 ADED COc1ccnc(NN=CC(C)C)n1 755639660 KFQBQOUEJWXZPI-UHFFFAOYSA-N 194.238 1.539 30 20 ADED 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185.267 1.086 30 20 ADED CC[C@@H](O)CNN=Cc1cccs1 308492559 RVKOLRAQUUFIJO-MRVPVSSYSA-N 198.291 1.443 30 20 ADED C=C(C)CN(C)C(=O)c1cccnc1 334313141 LNCAESWLRLJZLK-UHFFFAOYSA-N 190.246 1.730 30 20 ADED C=CCCn1ncc2c1C[C@@H](O)CC2 336116830 FXCPADMTYICNFU-JTQLQIEISA-N 192.262 1.309 30 20 ADED C[C@H](C#N)OC(=O)CCC(C)(F)F 379386986 ZOCBHHLQPHOCTB-ZCFIWIBFSA-N 191.177 1.877 30 20 ADED CC[C@H]1CCCC(=NNCC(=O)O)C1 382101598 GWWDIFWKZXNTKN-QMMMGPOBSA-N 198.266 1.617 30 20 ADED C=C[C@H](C(=O)OC)N1CCC(=C)CC1 382488539 YJCHKYQKQSLWBQ-SNVBAGLBSA-N 195.262 1.366 30 20 ADED CC[C@H](CC#N)N[C@@H]1C[C@H](C)O[C@@H]1C 384858870 CZRICBPDLLJGIU-LNFKQOIKSA-N 196.294 1.834 30 20 ADED CCCNN=Cc1ncccc1C 388725349 UAWFCFXXKGBYOV-UHFFFAOYSA-N 177.251 1.724 30 20 ADED CO[C@H](C)[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 389340938 YEEZGAPNECEKGQ-DBIOUOCHSA-N 196.294 1.692 30 20 ADED COCCCNN=C1CC[C@@H](C)C1 393522232 PPGOBXYKFATMMX-SECBINFHSA-N 184.283 1.789 30 20 ADED C=C[C@H](C)NCc1ccc(F)nc1 393721871 ZCGUCRHYYPTLIQ-QMMMGPOBSA-N 180.226 1.885 30 20 ADED CC(Cc1ccsc1)=NNCCO 393920901 SMAOZAHEZPEBOW-UHFFFAOYSA-N 198.291 1.248 30 20 ADED C=CCCn1cc([C@H](N)C(C)C)nn1 404483631 HZDLFGVNKFAXHZ-SNVBAGLBSA-N 194.282 1.510 30 20 ADED Cc1csc(C#CCCO)n1 585144556 SBILTHIWHODMEC-UHFFFAOYSA-N 167.233 1.185 30 20 ADED Cc1cc(F)cnc1C#CC(C)(C)O 585145115 YMICLYRKRLSWPD-UHFFFAOYSA-N 193.221 1.652 30 20 ADED N#CCCNCCc1ccoc1 594732797 NQZMBIBAFFLNOH-UHFFFAOYSA-N 164.208 1.325 30 20 ADED C=CCCCn1ccc(C#N)cc1=O 596320035 KOFLRXFCSVYKBK-UHFFFAOYSA-N 188.230 1.686 30 20 ADED CCN(C(=O)c1ccoc1)[C@@H](C)C#N 598351345 UPULUCLKEUNDFI-QMMMGPOBSA-N 192.218 1.654 30 20 ADED N#CCN(C[C@@H]1CCOC1)C1CC1 603849932 PMQUXHFUOACQHS-VIFPVBQESA-N 180.251 1.011 30 20 ADED Cc1cnc(CN(C)[C@@H](C)CC#N)o1 610728908 BGHXMHYERFSFHZ-QMMMGPOBSA-N 193.250 1.717 30 20 ADED C=CCOCC(=O)N[C@]12CCC[C@@H]1C2 617207106 PPEQTFWSODAWFD-KOLCDFICSA-N 195.262 1.248 30 20 ADED CC#CCN(C)C[C@@H](O)CCC(C)C 645262112 BTEVGJJFACKRRN-LBPRGKRZSA-N 197.322 1.739 30 20 ADED C=CC(C)(C)C(=O)NC[C@H]1C[C@H]1C 648147640 KZKMFRFYZUMZAD-RKDXNWHRSA-N 181.279 1.971 30 20 ADED C=CCNCc1ccnn1CC1CC1 657287845 YQCPRIGQZJMLKD-UHFFFAOYSA-N 191.278 1.569 30 20 ADED C=C[C@H](O)C(=O)N[C@@H](C)[C@@H](C)CC 667141892 GZLDYKFAGBSZMN-CIUDSAMLSA-N 185.267 1.084 30 20 ADED C=C[C@@H](O)C(=O)N(C)C(C)(C)CC 668898751 BCNFSORPYUORED-MRVPVSSYSA-N 185.267 1.180 30 20 ADED C=C(C)CNC(=O)[C@@H](C(C)C)N(C)C 681748441 VYVQWLJUJLXHPD-SNVBAGLBSA-N 198.310 1.265 30 20 ADED C=C[C@](C)(CC)C(=O)N[C@H](C)COC 682357624 WKZBYQLGOMHGGF-MWLCHTKSSA-N 199.294 1.740 30 20 ADED C=CCCCNC(=O)[C@H](CC)N(C)C 684154460 BMAOFMOSXIQOCG-JTQLQIEISA-N 198.310 1.409 30 20 ADED C#C[C@H](NCc1ncc(C)[nH]1)C(C)C 693471684 WYFKCOZDIANMHR-JTQLQIEISA-N 191.278 1.466 30 20 ADED CC(=O)NOCc1ccccc1C#N 749391110 ADYSIBIJPIYSJV-UHFFFAOYSA-N 190.202 1.126 30 20 ADED CC(=NNC[C@@H](C)C#N)c1ccco1 771106142 BTMVEVKZYAZICM-QMMMGPOBSA-N 191.234 1.753 30 20 ADED CCC#C[C@@H](C)N1CC(O)(C(C)C)C1 773893770 NUEKLYOEMVXBMF-LLVKDONJSA-N 195.306 1.491 30 20 ADED C#CCCOC(=O)[C@@]1(C)CCCOC1 781447310 INIRZILJWPQGFI-NSHDSACASA-N 196.246 1.370 30 20 ADED C=CCONC(=O)/C=C\SC 837048066 MCUHZADDNFYOFA-XQRVVYSFSA-N 173.237 1.097 30 20 ADED CCCON=Cc1ncc[nH]1 842557152 NUSZYNRSTPQDNL-UHFFFAOYSA-N 153.185 1.170 30 20 ADED CCCONC(=O)CCCC#N 844088929 WLQDIEMJJIAUPB-UHFFFAOYSA-N 170.212 1.138 30 20 ADED C=C[C@H](C)ON=C1CN(C)C[C@H]1C 844621750 MLSQYTXXJQLFTP-BDAKNGLRSA-N 182.267 1.515 30 20 ADED C#C[C@H](C)N(C)CC1CC=CC1 851989917 MAQOYQMGFJMHPV-JTQLQIEISA-N 163.264 1.906 30 20 ADED C=C(CC)CNC(=O)OCCF 859182190 JENGSHJYFIRFPL-UHFFFAOYSA-N 175.203 1.648 30 20 ADED C[C@H](O)CS[C@@H](C)C#N 882319193 DNMQPJHHGUZQNW-WDSKDSINSA-N 145.227 1.012 30 20 ADED CC[C@@H](CC#N)N[C@H](C)COC(C)=O 893607585 YHWMVMYDDWEVJD-SCZZXKLOSA-N 198.266 1.220 30 20 ADED C=C(CC)CNC(=O)O[C@H]1CCOC1 916158178 PCOKNYHGSQZVQC-VIFPVBQESA-N 199.250 1.468 30 20 ADED C=CCN1CCC[C@@H](NC(C)=O)CC1 1052124268 BLANCIXAHPDMHQ-LLVKDONJSA-N 196.294 1.163 30 20 ADED C=C(C)CCC(=O)NC1([C@H](C)O)CC1 1120754886 DDGKZLLVXGSTJM-VIFPVBQESA-N 197.278 1.372 30 20 ADED C=C[C@H](C)ONC(=O)[C@H](F)CC 1262631040 RQAKTRJWNZNNIC-NKWVEPMBSA-N 175.203 1.357 30 20 ADED C#Cc1c(Cl)ncnc1OC 1898243675 CWOMJGXVQYLFAY-UHFFFAOYSA-N 168.583 1.120 30 20 ADED C=CCNC1(C(=O)OCC)CCCC1 51962040 HNOAQTHWUNDZEB-UHFFFAOYSA-N 197.278 1.638 30 20 ADED C[C@H](C#N)SC1CCOCC1 62054415 QSKRHTMGVFFTKN-SSDOTTSWSA-N 171.265 1.811 30 20 ADED C=CCCCN1CC[C@@H](O)C1 70595516 WKYYLOHXXKSGGN-SECBINFHSA-N 155.241 1.019 30 20 ADED COC[C@H](C)N1CCC[C@H](C#N)C1 70663392 AIDIEZPJDIRJOU-VHSXEESVSA-N 182.267 1.257 30 20 ADED CN(C)C(=O)c1ccc(F)c(C#N)c1 82271738 FGYDBJNOBHGSBU-UHFFFAOYSA-N 192.193 1.399 30 20 ADED C=C[C@@H](C)N[C@H](C)C1CCOCC1 122996453 DGADBUVLSGGTSS-NXEZZACHSA-N 183.295 1.966 30 20 ADED C#CCCCN(C)Cc1cscn1 161107531 OKMSORZQCJAZAC-UHFFFAOYSA-N 194.303 1.988 30 20 ADED C#CCCCN[C@@H]1C[C@H](O)C1(C)C 163426123 UXRRNIJRRIPCSF-ZJUUUORDSA-N 181.279 1.149 30 20 ADED C[C@H](C(=O)NCC(C)(C)C#N)C1CC1 163785332 PPWVTSRUHBOQSK-QMMMGPOBSA-N 194.278 1.698 30 20 ADED C#C[C@@H](C)NC(=O)c1ncccc1C 165315941 FBYDNRPRECLZJA-SECBINFHSA-N 188.230 1.142 30 20 ADED C#C[C@H](C)NCc1ccc(C#N)o1 166350774 IVQVNJNBKLOKGZ-QMMMGPOBSA-N 174.203 1.263 30 20 ADED C=C(C)CNc1ncc([N+](=O)[O-])cn1 167615895 GMHMZZPULCCXPM-UHFFFAOYSA-N 194.194 1.373 30 20 ADED C#C[C@@H](CC)NC1CCN(CC)CC1 229893036 IEVZKYAKRJAJKO-NSHDSACASA-N 194.322 1.472 30 20 ADED C#C[C@H](CCC)NC(=O)N(C)CC 229898063 PODXYRZJCKORSB-SECBINFHSA-N 182.267 1.450 30 20 ADED C#C[C@H](N[C@@H]1CCOC[C@H]1C)C(C)C 301013410 MGUNHMIWFCYIGT-GRYCIOLGSA-N 195.306 1.659 30 20 ADED C=C(C)Cn1cc(C(C)=O)cn1 306173455 GJGCRVNIONSIIW-UHFFFAOYSA-N 164.208 1.662 30 20 ADED C=CCCC(=O)Nc1cnn(C)c1 306339365 JNGZABYKISUMCJ-UHFFFAOYSA-N 179.223 1.325 30 20 ADED C=C[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C 306463209 ASKXNNOCHCQDBZ-DJLDLDEBSA-N 183.251 1.102 30 20 ADED C[C@@H]1C[C@H]1CNc1cc(C#N)cnn1 306662259 TWUYTHRMKVUUNV-APPZFPTMSA-N 188.234 1.416 30 20 ADED C=C[C@@H](C)N[C@H]1COC(C)(C)C1 306777121 MUAAKGYHWNPLSY-RKDXNWHRSA-N 169.268 1.718 30 20 ADED C[C@@H]1CC[C@@H]1NCC1(C#N)CC1 307266320 DDEUYZWTFFQRAZ-BDAKNGLRSA-N 164.252 1.678 30 20 ADED CC#CCNc1cc(C)nc(CC)n1 307368537 QAJUXDSCWWGKGZ-UHFFFAOYSA-N 189.262 1.783 30 20 ADED C[C@@H]1CCC[C@@](C=O)(CCO)C1 307466897 OSFHCDFGHNOYSY-NXEZZACHSA-N 170.252 1.764 30 20 ADED C=C(Cl)COC(=O)[C@H]1C[C@@H]1C 307608902 DQUUBKWJSGQVOF-FSPLSTOPSA-N 174.627 1.938 30 20 ADED C=CCN[C@H]1Cc2cccc(O)c2C1 307664425 KGUNHOKQPBWGKP-JTQLQIEISA-N 189.258 1.635 30 20 ADED CC(F)(F)CN[C@@H]1CC[C@@H](C#N)C1 307717777 KEOOAKXKRRZARK-HTQZYQBOSA-N 188.221 1.923 30 20 ADED C=C(C)COC(=O)C1(O)CCC1 307965996 RCAAHNRKWQUEDC-UHFFFAOYSA-N 170.208 1.021 30 20 ADED C=CCCC(=O)NCCCOC 307975745 KSYBVGXNVDYHLY-UHFFFAOYSA-N 171.240 1.105 30 20 ADED C#CCCN(CCO)[C@H](C)CC 308123762 SUWQUXSDXFVDNP-SNVBAGLBSA-N 169.268 1.103 30 20 ADED CC[C@H](CC#N)NCCC(C)(C)O 308161749 XELOEVGQULJBDF-SECBINFHSA-N 184.283 1.429 30 20 ADED C=C(C)CN[C@@H]1CCC[C@@H]1CCO 308263273 NVEMYHZJGZYOKD-GHMZBOCLSA-N 183.295 1.703 30 20 ADED C=CCN(C)C(=O)NCC1(C)CC1 308265250 OYLMBMQAWIHQJA-UHFFFAOYSA-N 182.267 1.614 30 20 ADED C=CCN(C)Cn1cccnc1=S 308271205 SFCSVGZOXACEHM-UHFFFAOYSA-N 195.291 1.688 30 20 ADED C=CCN(C)C(=O)CCCC(C)=O 308275978 VNCDKCPXDNIVMG-UHFFFAOYSA-N 183.251 1.390 30 20 ADED C[C@H]1CC[C@H](C=Nn2cnnc2)C1 308303815 NGRYNBXYRWACOT-IUCAKERBSA-N 178.239 1.548 30 20 ADED C=C(CC)CN[C@@H](C)c1nnc(C)o1 308599149 NSHYEUCPYYCPSF-QMMMGPOBSA-N 195.266 1.995 30 20 ADED C=C(CC)CNCc1cc(C)nn1C 313504654 WOMYFHZNHISDHL-UHFFFAOYSA-N 193.294 1.784 30 20 ADED C#CCN(C)CCCNCCCC 327994633 MDKBEAYRBYNPJT-UHFFFAOYSA-N 182.311 1.331 30 20 ADED C=CCCC(=O)N1C[C@@H](O)C(C)(C)C1 334289413 AVIUTGLNCOMAIL-SECBINFHSA-N 197.278 1.182 30 20 ADED C[C@H]1C[C@]1(C#N)C(=O)N1CCCCC1 335390646 DMIBTHCNKOQGCW-GXSJLCMTSA-N 192.262 1.549 30 20 ADED N#CC1(CN2CCC[C@H]2CO)CCC1 336188355 COYNTYMFBWOSHW-JTQLQIEISA-N 194.278 1.137 30 20 ADED N#CCCCN1CCOCC12CCC2 336553024 IVCWOHLSCCNJMI-UHFFFAOYSA-N 194.278 1.545 30 20 ADED N#CCN1CC[C@H](C2CCOCC2)C1 336578193 RRLDIGWHFLEYCO-NSHDSACASA-N 194.278 1.258 30 20 ADED C=CCOCCN(C)C[C@@H](C)OC 378861983 SBVWCUMLZAZHIV-SNVBAGLBSA-N 187.283 1.156 30 20 ADED C=C[C@H](C)NC(=O)[C@@](C)(O)CCC 379388955 KOTISJQVKDPNJF-WPRPVWTQSA-N 185.267 1.228 30 20 ADED CNC(=S)NN=C1CCC[C@H]2C[C@@H]12 382107575 CZTWLXOKNSZLRM-NKWVEPMBSA-N 197.307 1.256 30 20 ADED C#C[C@](C)(CC)NC[C@H](O)C(C)(C)C 384177463 ORSDSXFOCWNBLI-CMPLNLGQSA-N 197.322 1.785 30 20 ADED CCc1nccn1CCOCCC#N 385221123 LIHFITWACLRSGT-UHFFFAOYSA-N 193.250 1.376 30 20 ADED C=C(Cl)CN(CC)CCOC 388123389 NCTLBMQLIYSTCU-UHFFFAOYSA-N 177.675 1.707 30 20 ADED CCCNN=C(C)c1ncc[nH]1 388392611 DHEPUAQXCOHCFJ-UHFFFAOYSA-N 166.228 1.133 30 20 ADED CC[C@@H](CN[C@H](C)CC#N)OC 388404123 QSKQHNXUNWYMAI-BDAKNGLRSA-N 170.256 1.303 30 20 ADED C#C[C@](C)(CC)NCc1cnns1 395249375 ZFNISPOHXCJTRB-SECBINFHSA-N 195.291 1.430 30 20 ADED CC[C@H](C#N)NC(=O)C(C)(C)C1CC1 588758883 MAKLQXRIAKOWGB-SECBINFHSA-N 194.278 1.841 30 20 ADED C[C@H](CCC#N)SCCCO 591134327 QOIMWHWWCYLVPV-MRVPVSSYSA-N 173.281 1.794 30 20 ADED CC[C@H](NCC#N)[C@@H]1CC1(C)C 591377439 YEECHQVFRVQQOU-IUCAKERBSA-N 166.268 1.924 30 20 ADED C=CCCCCn1cc(CCO)nn1 640939144 JVLMNCTWHCFGQV-UHFFFAOYSA-N 195.266 1.169 30 20 ADED C=C(C)CN(C)C[C@H](OC)C1CC1 644928863 RLUURLNXYJHLED-NSHDSACASA-N 183.295 1.919 30 20 ADED C=CCOCCN1CCOCC1(C)C 645079714 SWYXLYYLWFKBRL-UHFFFAOYSA-N 199.294 1.300 30 20 ADED C=CC[C@@H](C)NC(=O)C1(C(C)=O)CC1 645483417 GUTHKMDBRIOWEM-MRVPVSSYSA-N 195.262 1.436 30 20 ADED COCC#CCNC1(C2CCC2)CC1 649810551 PWJRBEUNXBHUFI-UHFFFAOYSA-N 193.290 1.559 30 20 ADED C=C(CC)CNC(=O)NC[C@@H]1C[C@H]1C 652100828 NEKJNSXNHGVXTD-ZJUUUORDSA-N 196.294 1.908 30 20 ADED C=C[C@@H](O)C(=O)N1CCCC(C)(C)C1 668658176 HABUNTNCLGROLD-SECBINFHSA-N 197.278 1.182 30 20 ADED C=C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C 674955161 CHBMGGCIRXXNJZ-UWVGGRQHSA-N 198.310 1.263 30 20 ADED C=C(C)CNC(=O)[C@@H]1CC[C@H](CC)O1 681674711 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C=CC[C@H](C)NC(=O)N[C@@H]1CCOC1 159409615 ABXDCSDRIVLLJI-DTWKUNHWSA-N 198.266 1.039 30 20 ADED Cc1cc(C(=O)N[C@@H](C)C#N)co1 161482784 PLTQJFOMEKHHLU-LURJTMIESA-N 178.191 1.230 30 20 ADED CC(C)(C#N)C(=O)N1CC=CCC1 163161584 RJTKTGQFJIIEKJ-UHFFFAOYSA-N 178.235 1.325 30 20 ADED CC(C)(C#N)CNCc1csnn1 164669602 KOHYJLCICYHBNG-UHFFFAOYSA-N 196.279 1.177 30 20 ADED CC[C@H](C#N)NC(=O)COC(C)(C)C 165008409 HGBMGMJABVAZHJ-MRVPVSSYSA-N 198.266 1.220 30 20 ADED C#C[C@H](C)NC(=O)c1ccccc1O 165308578 OAJJJMPNZQKWRE-QMMMGPOBSA-N 189.214 1.144 30 20 ADED C=CCCCS(=O)(=O)CC 196976866 JMQZYYWGVQHOIO-UHFFFAOYSA-N 162.254 1.387 30 20 ADED CC#CCCN1CC[C@@H](C)[C@@H](O)C1 231391686 XAHAWKIZBJUCGS-MNOVXSKESA-N 181.279 1.103 30 20 ADED C#C[C@H](NC(=O)C1CC1)C(C)C 300899836 KTYQUYVHXWJJCW-VIFPVBQESA-N 165.236 1.170 30 20 ADED C=C[C@H](N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)O 301052503 WIDJYUQQBLFLEK-XKNYDFJKSA-N 195.262 1.404 30 20 ADED CC(C)[C@H](C)C(=O)NC1(C#N)CC1 306148838 CLXYPXKUTOXUTR-QMMMGPOBSA-N 180.251 1.451 30 20 ADED CC[C@@H]1CCC[C@@]12O[C@@H]2C#N 306407451 ZKHPBWDPEYYUFZ-IWSPIJDZSA-N 151.209 1.858 30 20 ADED N#Cc1cccc(N2CC(F)C2)n1 306495618 CGPFPFHNZRJPMK-UHFFFAOYSA-N 177.182 1.111 30 20 ADED CC#CCNC(=O)N[C@@H](C)C1CC1 306502455 OVRCHPPCYNFFQL-QMMMGPOBSA-N 180.251 1.107 30 20 ADED CC(C)(C)Nc1ccnc(C#N)n1 307114395 SXJCIYHXJRHICB-UHFFFAOYSA-N 176.223 1.559 30 20 ADED C#C[C@@H](CC)NC(=O)C(C)(C)F 307128928 PQBKPQYAZHPUIY-ZETCQYMHSA-N 171.215 1.263 30 20 ADED C=CCN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 307316071 ARNCWEZBUUEBAC-AEJSXWLSSA-N 195.262 1.358 30 20 ADED CC#CC(=O)N1CCC[C@@H]2C[C@@H]21 307475154 SZTMEOCLBVSBOM-BDAKNGLRSA-N 163.220 1.021 30 20 ADED C=C(Cl)COC(=O)[C@@H]1C[C@@H]1C 307608550 DQUUBKWJSGQVOF-CAHLUQPWSA-N 174.627 1.938 30 20 ADED C=CCSCc1cnn(C)n1 307757677 MCKAYSKGFOVUOV-UHFFFAOYSA-N 169.253 1.234 30 20 ADED C=CCCCS[C@@H](CC)C(N)=O 308021848 VWQXQNDQICJUPA-QMMMGPOBSA-N 187.308 1.950 30 20 ADED C=C[C@@H](O)C(=O)OCC(=C)CC 308081872 JUZZEOGNUVPRDR-MRVPVSSYSA-N 170.208 1.043 30 20 ADED C=C[C@H](O)C(=O)O[C@@H](C)CCC 308084207 MFECLYWUFLEXMV-YUMQZZPRSA-N 172.224 1.265 30 20 ADED COCC#CCS[C@H](C)[C@H](C)O 308156515 PFCWVVZJPRJPEK-DTWKUNHWSA-N 188.292 1.139 30 20 ADED C(C[C@@H]1CCOC1)=NOCC1CC1 308174998 JDKKVHGRKZBINY-SNVBAGLBSA-N 183.251 1.825 30 20 ADED C=C(C)[C@@H](CC(=O)N(C)C)OCC 308432932 URWYZUOYFMPAOA-SECBINFHSA-N 185.267 1.446 30 20 ADED N#CCCCCN[C@@H]1CC[C@H](C#N)C1 308505763 FAOKJKYIIBWAQT-WDEREUQCSA-N 191.278 1.962 30 20 ADED C=CCOCCN[C@@H]1CCC[C@H](N)C1 308508587 AYYZMWHSVBPNJT-WDEREUQCSA-N 198.310 1.049 30 20 ADED C=C(C)CNC(=O)N[C@H]1C=CCCC1 335852856 XPPOFDSIGBTGMY-JTQLQIEISA-N 194.278 1.970 30 20 ADED CCON=C(C)CCCOC 379300395 PBXKZKRPSNCWDT-UHFFFAOYSA-N 159.229 1.825 30 20 ADED C=C[C@@H](C)NC(=S)NCC(=C)C 379313359 HBLHCMVDKQJMBD-MRVPVSSYSA-N 184.308 1.601 30 20 ADED CC#CCOC(=O)[C@@H](CC)SC 379328389 PDGVTFBTCNHGGT-MRVPVSSYSA-N 186.276 1.695 30 20 ADED CCC(CC)(CNCCC#N)OC 379341847 AGDHLUSHUAVKDZ-UHFFFAOYSA-N 184.283 1.695 30 20 ADED C[C@H](C#N)OCCN1C[C@H](C)[C@@H](C)C1 379531016 WYLVKJKFHSHLEB-GARJFASQSA-N 196.294 1.503 30 20 ADED CON=C[C@H]1CCCOC1 382107390 IYCKYYIGRFXYIN-SSDOTTSWSA-N 143.186 1.045 30 20 ADED C=CCOCCN[C@]1(CC)CCOC1 382161051 SRXGJAWHXWQQHC-LLVKDONJSA-N 199.294 1.348 30 20 ADED C=CCC(F)(F)C(=O)NOCC 382199303 DQKQKHKPHYABCD-UHFFFAOYSA-N 179.166 1.266 30 20 ADED CCC(=NOC)[C@@H]1CCOC1 388126164 PJSASYBGPJHOKB-SSDOTTSWSA-N 157.213 1.435 30 20 ADED C=CCC[C@H](O)CN(C)CCC 388384435 YUIJZWULERSUMA-JTQLQIEISA-N 171.284 1.655 30 20 ADED C=CCCN(C)c1cncc(C)n1 388629045 KCHSKCSXOYAYQL-UHFFFAOYSA-N 177.251 1.797 30 20 ADED C[C@H]1C[C@H]1CNC(=O)CCCC#N 388896564 MJXZWVYIUKFDFV-IUCAKERBSA-N 180.251 1.452 30 20 ADED CCON=C1COc2ccccc21 393459498 KYKLKTZQKSHAKJ-UHFFFAOYSA-N 177.203 1.820 30 20 ADED Cc1c[nH]nc1C=NOC(C)(C)C 393499365 UAPQNDMKMDTARR-UHFFFAOYSA-N 181.239 1.867 30 20 ADED C=CCCN1C[C@H](C)C[C@@H](CO)C1 398658996 BYLDWQIGAKLMRZ-GHMZBOCLSA-N 183.295 1.513 30 20 ADED C=C[C@H](C)ONC(=O)NC(C)C 400852339 PLTDJSWMBJVSIO-ZETCQYMHSA-N 172.228 1.200 30 20 ADED C[C@H](CC#N)NCc1ccns1 404328288 XLAZHJFNSOHPFE-SSDOTTSWSA-N 181.264 1.535 30 20 ADED CCn1cc(C#N)c(-c2cccnc2)n1 409440920 VTRLQWWQHSUXGJ-UHFFFAOYSA-N 198.229 1.837 30 20 ADED COCC#CCN(C)CC(C)(C)C#N 590124142 YECXMTBWLIRXLF-UHFFFAOYSA-N 194.278 1.118 30 20 ADED C=CC(C)(C)C(=O)NC[C@H](C)C#N 590635444 ZIYMJCUESIJEKW-MRVPVSSYSA-N 180.251 1.474 30 20 ADED C[C@@H](C#N)NC(=O)[C@H]1CCCC[C@H]1C 591778800 KMOQABYYAFGBEQ-UTLUCORTSA-N 194.278 1.841 30 20 ADED CCC#C[C@H](C)SCCO 603312905 PPPVHKMDYAYATG-QMMMGPOBSA-N 158.266 1.514 30 20 ADED C#C[C@H](C)NC(=O)c1cnccc1C 606260677 CXVQLCJZADUNCE-VIFPVBQESA-N 188.230 1.142 30 20 ADED CC#CCN1CCC(CN(C)C)CC1 607729143 PXKOKDJKZALPNG-UHFFFAOYSA-N 194.322 1.283 30 20 ADED C[C@@H](C#N)NC(=O)C[C@H]1CC[C@@H](C)C1 610725918 OJFWTRKMZDAPAZ-UTLUCORTSA-N 194.278 1.841 30 20 ADED CC(C)CCC(=O)NCC1(C#N)CC1 619545741 HAYVERMMQLHJBD-UHFFFAOYSA-N 194.278 1.843 30 20 ADED CCC#C[C@H](C)Sc1nc[nH]n1 649398380 NQFRDXNJYBCFRH-ZETCQYMHSA-N 181.264 1.699 30 20 ADED COCC#CCNC1(CC(C)C)CC1 662067720 BUMXBHDGHOIOIA-UHFFFAOYSA-N 195.306 1.805 30 20 ADED C=CCN1CCN(CC=C)C(C)(C)C1 673915222 QZXOLEWYRLTIQX-UHFFFAOYSA-N 194.322 1.755 30 20 ADED CC#CCN(C)CCC1CC1 676716242 VQAVAUNKDRDQTA-UHFFFAOYSA-N 151.253 1.742 30 20 ADED C=C(C)CCN[C@@H]1COC[C@H]1C 688004832 DRPKYIYJUIFKAU-NXEZZACHSA-N 169.268 1.577 30 20 ADED N#Cc1cncc(N[C@@H]2C=CCC2)n1 698209719 BCEIASUXPSEGEA-MRVPVSSYSA-N 186.218 1.479 30 20 ADED C=C[C@@H](NCCC(C)(C)F)C(=O)O 698235480 FDNMDMWWYLEDAE-SSDOTTSWSA-N 189.230 1.353 30 20 ADED C#CCCOC(=O)[C@@H](C)OCC(C)C 727042318 SNMXRYADQKVGQF-SNVBAGLBSA-N 198.262 1.614 30 20 ADED C#CCCCN1CC(C)(C)OC[C@@H]1C 753847916 YVODTVBEWUGGNP-NSHDSACASA-N 195.306 1.899 30 20 ADED C#CCOC(=O)c1ccc(O)cc1C 758547913 RQXPTQIAOBKCTF-UHFFFAOYSA-N 190.198 1.491 30 20 ADED C#CCCCCCC(=O)N[C@@H](C)C#N 762449476 ZVFPHXWOWZNGRE-JTQLQIEISA-N 192.262 1.598 30 20 ADED C#CCN(C(=O)NCCCC)C1CC1 763380439 DVLJOFGMHONTQF-UHFFFAOYSA-N 194.278 1.594 30 20 ADED C#C[C@@H](C)N(C)C(=O)C[C@H](C)C1CC1 767232887 QTJSOSWCZCZGMC-VHSXEESVSA-N 193.290 1.903 30 20 ADED CON=CC(=O)Nc1ccc(C)cc1 773692170 IMKOBEVMFGCFMX-UHFFFAOYSA-N 192.218 1.566 30 20 ADED C[C@@H]1C[C@H]1C=NNc1ncncc1F 793217916 NVFPDELPVPNMGE-RQJHMYQMSA-N 194.213 1.669 30 20 ADED C#CCN(C)C(=O)[C@H]1CCC[C@@H]1CC 830236107 SPBQDBPOFIOLLE-QWRGUYRKSA-N 193.290 1.904 30 20 ADED CC[C@H](C)NN=C1CCN(OC)CC1 834971842 BEOQDOYKCVLHMC-VIFPVBQESA-N 199.298 1.388 30 20 ADED CCCN(CC)C(=O)C#CC1CC1 837335661 SNIHQQAWBYUSRY-UHFFFAOYSA-N 179.263 1.658 30 20 ADED C#CC1CCC(=NOC)CC1 853289044 IWYHLLKDKVYFQD-UHFFFAOYSA-N 151.209 1.812 30 20 ADED Cc1nc(C=NOCC2CC2)[nH]c1C 853348339 AXTNTISHILPUGJ-UHFFFAOYSA-N 193.250 1.787 30 20 ADED CCCCCNC(=O)C#CC(C)C 854120842 XABKPJNCCLLLKO-UHFFFAOYSA-N 181.279 1.952 30 20 ADED CCC#CCOC(=O)C(C)(C)OCC 893843880 JKUAWJRAPKZTMH-UHFFFAOYSA-N 198.262 1.758 30 20 ADED C#CCN(Cc1ccn(C)c1)C(C)C 897171056 PAWJQPKTEMZYQU-UHFFFAOYSA-N 190.290 1.869 30 20 ADED CC#CCN[C@]1(C)CC(C)(C)OC1=O 930874747 HWHHZLGBHHMSMO-LLVKDONJSA-N 195.262 1.084 30 20 ADED C#Cc1ccc(NCCCCO)nc1 1120840643 LOFPZBRDWZZCJW-UHFFFAOYSA-N 190.246 1.247 30 20 ADED C=CCNCCCNC(=O)C1(C)CC1 1158559906 ITDYBZHBPSBWJN-UHFFFAOYSA-N 196.294 1.068 30 20 ADED N#CCC[C@@H](C#N)CN[C@H]1C=CCC1 1335353069 QBYVZRLWWWEVDS-QWRGUYRKSA-N 189.262 1.738 30 20 ADED C=CCON=C1COC[C@@H]1C 1336975661 FYOCOQVROHANBG-ZETCQYMHSA-N 155.197 1.211 30 20 ADED CC[C@@H](F)C(=O)OC1(C#N)CCC1 1344940219 SAKIBVPMTHYAKY-SSDOTTSWSA-N 185.198 1.724 30 20 ADED C=C(CC)C(=O)N[C@H](C)C(=O)OCC 1346305098 KFLWTOMPWDNTSI-MRVPVSSYSA-N 199.250 1.020 30 20 ADED CC[C@@H](F)C(=O)N(C)C[C@H](C)C#N 1346749523 KGBPOUGFLYOCMG-HTQZYQBOSA-N 186.230 1.353 30 20 ADED C[C@@H](C#N)CN[C@H]1CCNC12CCC2 1575051600 PCIXENRZIHLTOF-UWVGGRQHSA-N 193.294 1.020 30 20 ADED C=C[C@@H](OC(=O)C1(C)CCC1)C(=O)O 1588705877 QYOSRBWBBCOFMJ-SSDOTTSWSA-N 198.218 1.359 30 20 ADED N#C/C(CC(N)=O)=N\c1ccccc1 1857777203 YCMBNWVMYMPXKU-LCYFTJDESA-N 187.202 1.158 30 20 ADED C#CC[C@@H]1CCCCC[C@H]1O 43658819 UEFJYLZMINSPFJ-NXEZZACHSA-N 152.237 1.951 30 20 ADED C#CCNc1ncnc2c1CCC2 61277408 XEUIIKLQMNCVKN-UHFFFAOYSA-N 173.219 1.010 30 20 ADED C=CCCNC[C@@H]1CCCOC1 70591776 MVIIUCBOEDSNCZ-JTQLQIEISA-N 169.268 1.579 30 20 ADED CSCC[C@H](C)N(C)CC#N 124816791 KRNWEHLDRIFGML-QMMMGPOBSA-N 172.297 1.583 30 20 ADED C=CCC[C@@H](N[C@@H](C)CO)C1CC1 125367999 VYOBWERIQCMOCJ-GXSJLCMTSA-N 183.295 1.702 30 20 ADED C=C[C@H](C)N[C@H](CC)COC 157291802 UKORWEFQNSYNTR-DTWKUNHWSA-N 157.257 1.576 30 20 ADED C#CCCN1CCS[C@H](C)C1 160361632 DZNKJGZZGXOSLC-SECBINFHSA-N 169.293 1.447 30 20 ADED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)OC 160562387 IOCOHZUKBGEUDT-DTWKUNHWSA-N 198.266 1.029 30 20 ADED C[C@@H]1C[C@H]1CNCCCCC#N 166897817 MSEQOMAJUSSVTC-ZJUUUORDSA-N 166.268 1.926 30 20 ADED C=CCCNc1cc(C)ncn1 168877132 SKUYHEQKZDKCCI-UHFFFAOYSA-N 163.224 1.773 30 20 ADED O=C(C[C@@H]1C=CCCC1)NO 225351319 UKPMKKJJZVPURY-SSDOTTSWSA-N 155.197 1.238 30 20 ADED CCCC1(CNC(=O)CC#N)CC1 229002934 IVIAIUPHFSRBNE-UHFFFAOYSA-N 180.251 1.597 30 20 ADED C[C@@H](S)[C@H]1CCOC1 229654574 BDXXTYMPJWQADB-RITPCOANSA-N 132.228 1.341 30 20 ADED C#C[C@@H](CCC)NC(=O)CC(C)C 233294875 REXDXLAGIBHGFJ-JTQLQIEISA-N 181.279 1.951 30 20 ADED CC(C)=CCNC(=O)[C@@H](C)C#N 235068276 LLQQYGFKOJCGGL-QMMMGPOBSA-N 166.224 1.228 30 20 ADED CC[C@@H]1C[C@H](NC[C@H](C)C#N)CCO1 251557358 IGVACRUUYVFJPH-GMTAPVOTSA-N 196.294 1.693 30 20 ADED Cc1cnn(CC2(C#N)CCC2)c1 260184859 UFCFALOEHAJCCQ-UHFFFAOYSA-N 175.235 1.885 30 20 ADED C=C[C@H](N[C@@H]1CCC[C@H]1C)C(=O)OC 301019945 JPTFEIRTPHYFAM-KXUCPTDWSA-N 197.278 1.492 30 20 ADED CC#CC(=O)N1CCCC[C@H](C)C1 306219990 NRQAYCCXDQGPJG-JTQLQIEISA-N 179.263 1.658 30 20 ADED C#CC[C@@](C)(C=O)CC 306255232 MOIJIMCBHAFKMU-QMMMGPOBSA-N 124.183 1.625 30 20 ADED C=CCN1C[C@H]2[C@H](C1)C2(C)C 306273320 ZBPKMJSXWHFYGG-IUCAKERBSA-N 151.253 1.760 30 20 ADED CC#CC(=O)N[C@H](C)CC(F)(F)F 306763240 UPDGQPOQSUZZBD-ZCFIWIBFSA-N 193.168 1.467 30 20 ADED N#CC1(C[C@H](O)CF)CCOCC1 306793798 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CC[C@@H](C)OC(=O)C(C)(C)C#N 393350537 RVMXLBOBVAZAOG-SSDOTTSWSA-N 169.224 1.878 30 20 ADED COCCC(C)=NNCC(F)(F)F 393434304 KGRSPMAEANXDGL-UHFFFAOYSA-N 198.188 1.551 30 20 ADED C#CCCC[C@H](F)CNC 585142467 GTYFQOPKSSJUMN-QMMMGPOBSA-N 143.205 1.347 30 20 ADED Cc1ccnc(C#CCn2ccnc2)c1 585145323 NCUQDFBYJGTKGE-UHFFFAOYSA-N 197.241 1.638 30 20 ADED CC[C@@H](C#N)NC(=O)[C@@H](C)C1CCC1 590904286 KUBSJJKTZNAZAB-WPRPVWTQSA-N 194.278 1.841 30 20 ADED COC[C@H](C)CNC[C@@H](C)CCC#N 602527901 JDMLHOIMXXGJRI-WDEREUQCSA-N 198.310 1.798 30 20 ADED COCCCCC(=O)N(C)CCC#N 604530010 ZKAKXWUGYSIKHJ-UHFFFAOYSA-N 198.266 1.175 30 20 ADED C#CC(=O)Nc1ccc2c(c1)CCC2 606258618 UKPWGMJRTPNWSS-UHFFFAOYSA-N 185.226 1.747 30 20 ADED CC[C@H](OC)C(=O)N(C)[C@H](C)CC#N 609143046 VBQREPOKOUCHRX-BDAKNGLRSA-N 198.266 1.172 30 20 ADED N#CCCCN(CCC#N)CCC#N 610659084 UQWGFSFXGDPZJC-UHFFFAOYSA-N 190.250 1.420 30 20 ADED CCN(C(=O)NCCCC#N)C(C)C 612380153 IBKIIOUCYFDGKW-UHFFFAOYSA-N 197.282 1.730 30 20 ADED 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C#CCNC(=O)N1CC2(CCCC2)C1 777915130 ONQFGKCOYDIFBA-UHFFFAOYSA-N 192.262 1.205 30 20 ADED C=CCN(C)C(=O)C1(N(C)C)CCC1 779126149 RGVDSFUDZBYNOU-UHFFFAOYSA-N 196.294 1.115 30 20 ADED C#CCN(CC)Cc1ccc(F)cn1 787256828 MTLCTBKBYQNJHQ-UHFFFAOYSA-N 192.237 1.676 30 20 ADED N#CCOC(=O)c1c(F)cccc1F 790924767 UGWDFIPCLISBHY-UHFFFAOYSA-N 197.140 1.645 30 20 ADED C#C[C@H](CCC)NC(=O)[C@H](CC)OC 791751084 UZZIMADZVNEIBY-ZJUUUORDSA-N 197.278 1.330 30 20 ADED C#CCO[C@@H](C)C(=O)NC(CC)CC 822175423 AHFXJWGZXCASHD-VIFPVBQESA-N 197.278 1.330 30 20 ADED C[C@]1(NCC#N)CCCC[C@@H]1C(=O)O 833573165 REUZONRHHMGPRI-SCZZXKLOSA-N 196.250 1.133 30 20 ADED C=CCCOC(=O)[C@@H]1CCO[C@H]1C=C 835091187 NTAZQBSEEYWWRL-ZJUUUORDSA-N 196.246 1.697 30 20 ADED C[C@H](CC#N)NC(=O)C#CC(C)(C)C 837378565 RKQGCJQGXJFEOV-SECBINFHSA-N 192.262 1.454 30 20 ADED C[C@H]1CCC[C@H]1NC(=O)C#CC1CC1 837397864 CMACQTKSSKSQFS-GXSJLCMTSA-N 191.274 1.705 30 20 ADED CC(C)(C)C#CC(=O)N1CC2(CC2)C1 837675785 GDJQOJPSEIHDMS-UHFFFAOYSA-N 191.274 1.658 30 20 ADED 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C=C[C@@H](C)NC[C@@H](O)CC(C)(C)C#N 1120584111 XMSREPMMIIPYIO-ZJUUUORDSA-N 196.294 1.451 30 20 ADED C=C[C@H](C)NC(=O)[C@H](C)n1ccnc1 1319574332 XNIKHFBKUWEXSD-IUCAKERBSA-N 193.250 1.135 30 20 ADED C=CC(C)(C)CNC(=O)[C@H](CC)OC 1324819171 DPYOVKXAZPRCEB-VIFPVBQESA-N 199.294 1.740 30 20 ADED C=C(CC)C(=O)NCCCSC 1346576697 MMLCANGGTLEZRR-UHFFFAOYSA-N 187.308 1.822 30 20 ADED C=CCN(CCCC(=C)C)CC(=O)O 1776179111 UKSDNEKMMNYNCY-UHFFFAOYSA-N 197.278 1.915 30 20 ADED N#C[C@@H](C(=O)O)C1CCCCC1 34404902 MFCLVMROAQZAPA-MRVPVSSYSA-N 167.208 1.791 30 20 ADED N#CCc1cnccc1C#N 39367979 HAPCZADRKGVNHK-UHFFFAOYSA-N 143.149 1.019 30 20 ADED CCC(=O)Oc1ccccc1C#N 40176420 ZHKBJNSBEBUPMR-UHFFFAOYSA-N 175.187 1.874 30 20 ADED CCN(C[C@@H](C)C#N)C(=O)C1CC1 42295961 PMZFFMRRMSAYDY-QMMMGPOBSA-N 180.251 1.405 30 20 ADED Cc1ccc(C#N)c(N[C@H](C)CO)n1 43395453 GKOUNECYFXBYBW-MRVPVSSYSA-N 191.234 1.054 30 20 ADED N#Cc1nccnc1NC1CCC1 54378355 KZORBHDNLYRTIL-UHFFFAOYSA-N 174.207 1.313 30 20 ADED CC(C)[C@H](C#N)NC(=O)c1ccco1 57488517 QDWRGSVXSKVHGO-QMMMGPOBSA-N 192.218 1.558 30 20 ADED N#Cc1c(F)cccc1SCCO 62567995 ZBRJKQXUTUXTQS-UHFFFAOYSA-N 197.234 1.782 30 20 ADED C=CCN(CC=C)C(=O)CC(C)(C)N 82771650 OYIAYQSNEUTXAA-UHFFFAOYSA-N 196.294 1.314 30 20 ADED C=C(CC)CN1C[C@H](C)N[C@@H](C)C1 85060452 AJQRKNIUAACKMG-QWRGUYRKSA-N 182.311 1.635 30 20 ADED CC[C@H](C)CN(CC)C(=O)CC#N 86439970 VYEHTRKSWOAHHZ-VIFPVBQESA-N 182.267 1.795 30 20 ADED COC[C@@H](C)CC(=O)N(C)[C@H](C)C#N 87421363 KITSGOIXAWPMCE-DTWKUNHWSA-N 198.266 1.029 30 20 ADED CC1CC(C#N)(C(=O)NC(C)C)C1 87606846 OYYQLUDZNBOKGC-UHFFFAOYSA-N 180.251 1.451 30 20 ADED CN1[C@H]2CC[C@H]1CC(NCCC#N)C2 102465823 CFBKLOCIDAWSFN-QWRGUYRKSA-N 193.294 1.115 30 20 ADED C=CC[C@H](C)NC(=O)[C@@]1(C)CCNC1 158384272 CQBOCDCLSFGKHM-ONGXEEELSA-N 196.294 1.067 30 20 ADED C=CC[C@@H](C)NCc1cncn1CC 169109380 PHTMFFHLACNWMZ-SNVBAGLBSA-N 193.294 1.957 30 20 ADED C=CCn1c(SCCC)n[nH]c1=O 220408921 DABRCYNWTGSEJN-UHFFFAOYSA-N 199.279 1.260 30 20 ADED C#C[C@H](CCC)NC(=O)CCCCN 229990544 NLGHETLDJKYUQH-SNVBAGLBSA-N 196.294 1.034 30 20 ADED Cc1cnc(C(=O)N[C@H](C)CC#N)o1 259646368 MAPRTSUEZWEPOM-ZCFIWIBFSA-N 193.206 1.015 30 20 ADED CC[C@H](C#N)NC(=O)c1ccn(C)c1 259710131 SVFDKSRSKBFXPF-SECBINFHSA-N 191.234 1.057 30 20 ADED C#C[C@H](NC[C@H]1CCC=CO1)C(C)C 300902547 LBBKGDKNFGQBJG-NEPJUHHUSA-N 193.290 1.927 30 20 ADED C[C@@H]1C[C@H]1C(=O)N1CC(C)(C#N)C1 306208464 HPAORVINNUJCJF-HTQZYQBOSA-N 178.235 1.014 30 20 ADED O=C(NO)C1C[C@H]2CCC[C@H](C1)C2 306263479 NIFIXBJKUQJMCX-YUMQZZPRSA-N 183.251 1.708 30 20 ADED CCC1(C(=O)NO)CCC1 306279028 XOIMRURMHKTUCA-UHFFFAOYSA-N 143.186 1.072 30 20 ADED C[C@H](O)CCC(C)(C)C=O 306284648 DJZRSXSWFOPIHJ-ZETCQYMHSA-N 144.214 1.373 30 20 ADED C=CCN1CCO[C@@H](CC)C1 306340285 WFABMLJZMIBECD-VIFPVBQESA-N 155.241 1.283 30 20 ADED N#Cc1ccn(Cc2ccon2)c1 306613252 KLKVXLMOORNITD-UHFFFAOYSA-N 173.175 1.396 30 20 ADED CC#CCNc1cccc2c1OCO2 307060921 OBEGENSSMFSIPK-UHFFFAOYSA-N 189.214 1.851 30 20 ADED COCC#CCON=C1CCC1 307097797 QGWKQPIRTGNEQI-UHFFFAOYSA-N 167.208 1.193 30 20 ADED C[C@@H]1CCCCN(CC#N)C1 307177592 IIAGOEZRYPFFDI-SECBINFHSA-N 152.241 1.632 30 20 ADED C#C[C@H](C)N(C)c1cc(C)ncn1 307214552 ZVWWKBFVOIAOSK-VIFPVBQESA-N 175.235 1.243 30 20 ADED C#CC(=O)NCc1ccc(CC)s1 307324865 SGSOEBBFVNHPMU-UHFFFAOYSA-N 193.271 1.560 30 20 ADED C=CCCCNc1ccnc(N)n1 308171327 CLZJAHNVCOODCI-UHFFFAOYSA-N 178.239 1.437 30 20 ADED C=CCOC(=O)[C@H](C)[C@H](C)COC 308257700 KRFGEADXTDOZPC-RKDXNWHRSA-N 186.251 1.634 30 20 ADED C=CCCC(=O)NCCCCC#N 308333030 LYMVWLSAYISAPW-UHFFFAOYSA-N 180.251 1.763 30 20 ADED C#CC/N=C\c1cccc(O)c1O 308396087 DNLSZHGNMOIVRH-XFFZJAGNSA-N 175.187 1.150 30 20 ADED CCC(=O)Nc1cc(CC#N)ccn1 336316395 YDEWCVIWFPPUJG-UHFFFAOYSA-N 189.218 1.496 30 20 ADED CC(C)[C@@H]1CCN1C(=O)C(C)(C)C#N 336480403 XNLDMZPBKLHBCF-VIFPVBQESA-N 194.278 1.793 30 20 ADED C#CCSCCNC[C@@H]1C[C@H]1C 379311962 TULXUWFHZKJRGF-ZJUUUORDSA-N 183.320 1.598 30 20 ADED C=C[C@@H](O)C(=O)OCCCCCF 379390574 CNNGARWTIZVPGF-MRVPVSSYSA-N 190.214 1.216 30 20 ADED C=CCN(CC(=O)OC)CC(C)C 388375115 YWFCACBZPLQZCZ-UHFFFAOYSA-N 185.267 1.303 30 20 ADED CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)C#N 388663058 VYOYQWDHNVTPFQ-HRDYMLBCSA-N 182.267 1.697 30 20 ADED C#C[C@@H](C)NC(=O)OCCOCCC 389253385 DCSGJVYGEBWZOX-SECBINFHSA-N 199.250 1.161 30 20 ADED C=C(C)CNC(C)(C)c1noc(C)n1 393688694 YERLUCCKKHDDDF-UHFFFAOYSA-N 195.266 1.779 30 20 ADED C=CCC[C@@H](C)NCCc1cn[nH]c1 393692739 YQTJQDCEBZLLCZ-SNVBAGLBSA-N 193.294 1.897 30 20 ADED CO[C@@H](CNCC(C)(C)C#N)C1CC1 405119900 HPHNBBBVQWEGTQ-JTQLQIEISA-N 196.294 1.551 30 20 ADED CCC[C@H](OC)C(=O)N[C@@H](C)CC#N 590626662 AHICMHOFLIHJFH-IUCAKERBSA-N 198.266 1.220 30 20 ADED CC[C@H](CC#N)NCCOCCC#N 594008688 YTUYPBJNMRKPNC-SNVBAGLBSA-N 195.266 1.199 30 20 ADED C=CCOCC(=O)N1CCC(=C)CC1 594848125 QNAITWSSIQBUMP-UHFFFAOYSA-N 195.262 1.368 30 20 ADED C[C@H](CCC#N)CNC1(CO)CCC1 602584795 KUAAAEOFNXRCAE-SNVBAGLBSA-N 196.294 1.431 30 20 ADED CC[C@H](CC#N)NC(=O)c1ccc[nH]1 613037386 CNUFPEXPDMVMTG-MRVPVSSYSA-N 191.234 1.437 30 20 ADED C=CCCN(C)C(=O)NCCCC#N 615550795 XOABQYPPNOGLAQ-UHFFFAOYSA-N 195.266 1.508 30 20 ADED C=CCCNC(=O)c1cc(C)sn1 617617419 FZQGVKQUJRVYQM-UHFFFAOYSA-N 196.275 1.757 30 20 ADED C=CCOCCn1cc(C)cn1 642203494 RWYMEOWUQJLBBL-UHFFFAOYSA-N 166.224 1.394 30 20 ADED COCC#CCN1C[C@H](C)[C@@H](C)[C@@H]1C 642722220 QASSILLBWJFIGJ-TUAOUCFPSA-N 195.306 1.613 30 20 ADED C=CCC[C@@H](C)NCCNC1CC1 643507371 BBQUEMVVYXPUBL-SNVBAGLBSA-N 182.311 1.683 30 20 ADED C=CCN(C)[C@@H]1CCN(C(C)C)C1 650349769 SUQXCVDHZJIPNB-LLVKDONJSA-N 182.311 1.587 30 20 ADED C=CCNC(=O)[C@H](C)N(C)CC(=C)C 679219201 QYAOFUHRCAIPPK-JTQLQIEISA-N 196.294 1.185 30 20 ADED C#CCCN1CC[C@@H](F)C1 689894367 LHUMSTXVPFJTFD-MRVPVSSYSA-N 141.189 1.054 30 20 ADED C#CC(=O)N1C[C@@H](CC)O[C@H](CC)C1 692897192 MFOQMHIMUKQJRY-NXEZZACHSA-N 195.262 1.036 30 20 ADED COCC(C)=NOCc1cccnc1 746585773 KXIXLSHVCKRHRY-UHFFFAOYSA-N 194.234 1.621 30 20 ADED C#CCCCC(=O)N[C@@H](C#N)CCC 758884685 OEYDIBZCKLBYAN-SNVBAGLBSA-N 192.262 1.598 30 20 ADED C#CCCCC(=O)N[C@@](C)(CC)CO 760471711 NEBMSPXENWRZKC-NSHDSACASA-N 197.278 1.067 30 20 ADED C=CCCC(=O)COC(=O)[C@@H]1C[C@H]1C 761362940 WTQNWMZUBJKGOJ-PSASIEDQSA-N 196.246 1.721 30 20 ADED C#C[C@@H](C)N(C)C(=O)C1=CCCCO1 767252280 JTKKMZCPVFLOIP-SECBINFHSA-N 193.246 1.161 30 20 ADED CCCNN=C(C)c1cnn(C)c1C 778538383 OYAKLEAFBUQHPL-UHFFFAOYSA-N 194.282 1.452 30 20 ADED C=C(C)COC(=O)[C@H](C(C)C)N(C)C 787961285 MRHYNKYCEAHDPE-JTQLQIEISA-N 199.294 1.692 30 20 ADED C#CCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C 790968112 MVJWEEGXGZWLBY-ZYHUDNBSSA-N 193.290 1.760 30 20 ADED C=CCNN=Cc1cccc(F)c1O 794993856 JVOBZYULOZQRSR-UHFFFAOYSA-N 194.209 1.641 30 20 ADED C=CCNN=C(C)c1cnccc1C 794994315 QDSCESMVVNKJNI-UHFFFAOYSA-N 189.262 1.890 30 20 ADED c1ccc2c(c1)OCC2=NNC1CC1 814903423 IRPSSPRKMZVETD-UHFFFAOYSA-N 188.230 1.535 30 20 ADED FC(F)CNN=CCC(F)(F)F 817326151 SOAQJRKLRFZUBZ-UHFFFAOYSA-N 190.115 1.779 30 20 ADED C#C[C@@H](C)N(C)C[C@H](OC)C1CC1 822976988 MVEAMUBQCVVLDK-KOLCDFICSA-N 181.279 1.365 30 20 ADED C=C(C)CCNC(=O)C(=O)C(C)(C)C 836824735 LEZLNPGPOKTFNC-UHFFFAOYSA-N 197.278 1.684 30 20 ADED C[C@@H](C#N)OC(=O)CCc1ccco1 844254255 WOSOLSKZUPQWQI-QMMMGPOBSA-N 193.202 1.667 30 20 ADED C=C(C)CONC(=O)CCOCC 846537788 DFUXBTFGDDWTNQ-UHFFFAOYSA-N 187.239 1.037 30 20 ADED C#CCOCCN(CC)CC1CCC1 852002039 REAFTFCAHXRZMJ-UHFFFAOYSA-N 195.306 1.758 30 20 ADED C#C[C@](C)(CC)NC(=O)/C=C\OCC 854703965 IASISLGUGPQYIS-TYBABMIJSA-N 195.262 1.455 30 20 ADED C[C@@]1(C(=O)NO)C[C@H]2CC[C@H]1C2 863856670 IIBRJGCMHZSVQT-ACLDMZEESA-N 169.224 1.318 30 20 ADED C#CCCCC(=O)N=S(C)(C)=O 913641939 OGUUUKBKSGYDBU-UHFFFAOYSA-N 187.264 1.044 30 20 ADED C=CCCC(=O)N[C@@H]1COC[C@H]1C 928896263 FIQNYBSQDVNXPJ-RKDXNWHRSA-N 183.251 1.104 30 20 ADED C=CCNC(=O)[C@@H](C)n1cccc1 1319380829 MSLLWQUBBPDZPM-SECBINFHSA-N 178.235 1.351 30 20 ADED C[C@]1(O)CC[C@@H]1N1CCC(C#N)CC1 1898196868 ZBFFYXUSGSYFSO-QWRGUYRKSA-N 194.278 1.135 30 20 ADED C=CCNc1cccc(C(=O)O)c1 21951567 AFTOMTSDIBHJGD-UHFFFAOYSA-N 177.203 1.983 30 20 ADED C=CCNC(=O)[C@H](C)NC(C)(C)CC 26516753 GCYJEJWYSGZJCT-VIFPVBQESA-N 198.310 1.455 30 20 ADED COCCNc1ccc(C#N)cc1C 37996169 QZVYWSWOPMLGIQ-UHFFFAOYSA-N 190.246 1.925 30 20 ADED CC[C@H](C#N)C(=O)NCC1CCCC1 44822508 XNKKNYZIDJMPLH-SNVBAGLBSA-N 194.278 1.843 30 20 ADED CCN(C(=O)[C@@H](C)C#N)C1CCCC1 44822993 LKXMBJKIGLMQSV-VIFPVBQESA-N 194.278 1.937 30 20 ADED CCOC(=O)CCN(C)[C@@H](C)CC#N 50067187 QAHLBQRGUHFPFA-VIFPVBQESA-N 198.266 1.174 30 20 ADED N#C[C@@H]1CN(CC2CCCC2)CCO1 82474120 VYHMTUFRVVMHOF-LLVKDONJSA-N 194.278 1.401 30 20 ADED C=CCNc1nc(CC)ns1 83668384 OCCUMFLXFYCMMT-UHFFFAOYSA-N 169.253 1.698 30 20 ADED C=C[C@@]1(C)CCC1=O 97758269 AAUQZRKAZPQLCE-ZETCQYMHSA-N 110.156 1.542 30 20 ADED C=CC[C@H](C)NCC1=CCCOC1 124732790 UXSKBMMOXZHGSS-JTQLQIEISA-N 181.279 1.887 30 20 ADED Cc1ccc(CO)c(C#N)c1 146782263 BREROMQLDFVZEW-UHFFFAOYSA-N 147.177 1.359 30 20 ADED CC1CC(NCCCC#N)C1 166651619 IVPWWWYQSBTDHS-UHFFFAOYSA-N 152.241 1.678 30 20 ADED C#CCOC(=O)/C=C\c1cccs1 213648713 CISUBPLTZSZONU-WAYWQWQTSA-N 192.239 1.938 30 20 ADED C=C(C)CN1CC[C@H](C)C[C@@H]1C(=O)O 229299302 IDQGRYBRJJBGRI-VHSXEESVSA-N 197.278 1.748 30 20 ADED C#C[C@H](CCC)N[C@@H](C)[C@@H](C)O 229973723 YCDUDAKUFXLNHG-IVZWLZJFSA-N 169.268 1.147 30 20 ADED CC[C@H](CC#N)NC(=O)[C@H]1CC1(C)C 231034707 UOZYFHCKQNXHIJ-RKDXNWHRSA-N 194.278 1.841 30 20 ADED C#CCCCNC(=O)[C@H](C)C(C)C 231573668 LIGQJQMMUSZBDR-SNVBAGLBSA-N 181.279 1.808 30 20 ADED CC[C@H](CC#N)NC(=O)c1cnco1 259888399 KGABTDDHWLNSQO-SSDOTTSWSA-N 193.206 1.097 30 20 ADED C[C@@H](C#N)C(=O)N1CCC=C(F)C1 306364274 AHNHIODDSUKWCE-ZETCQYMHSA-N 182.198 1.232 30 20 ADED OCCNN=C1CCCCCCC1 306516658 YPWQBAOTHOECLH-UHFFFAOYSA-N 184.283 1.669 30 20 ADED C#CCN(C)C(=O)[C@@H]1CC12CCC2 306715549 ZWCVVZSPHOZDPA-VIFPVBQESA-N 177.247 1.268 30 20 ADED CCCO/N=C(\N)C(C)C 306753428 JKTNULAVUXRJQI-UHFFFAOYSA-N 144.218 1.341 30 20 ADED N#CCOc1cnc(F)cc1Cl 306767213 XSYZSMYBIKRHAC-UHFFFAOYSA-N 186.573 1.776 30 20 ADED C[C@@H](O)CNN=C1CC2(CCC2)C1 306853681 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LHQFQXYYMKSOGW-MRVPVSSYSA-N 180.255 1.142 30 20 ADED C=CCNC(=O)N1CC(C2CCC2)C1 335079199 XMJADWXLNAOLSA-UHFFFAOYSA-N 194.278 1.614 30 20 ADED C=CCCC(=O)NCC(=C)C 379300745 PGPKUIDFEPCXKM-UHFFFAOYSA-N 153.225 1.645 30 20 ADED C=CC[C@H](C)NC(=O)NCC(F)F 379401709 LIVTWRCIQBXBCT-LURJTMIESA-N 192.209 1.515 30 20 ADED CNC(=S)NCC(C)(C)CCC#N 379406033 VJMKGTRLRLKODY-UHFFFAOYSA-N 199.323 1.410 30 20 ADED C=CCCN[C@@H](C(=O)OC)[C@@H](C)CC 379523952 FKRPCAWVPQPNCH-VHSXEESVSA-N 199.294 1.740 30 20 ADED C=Cn1cc(C=NNCCC)cn1 388779507 JDVIBXKUJXTFQH-UHFFFAOYSA-N 178.239 1.317 30 20 ADED CO[C@@H]1CCC[C@H]1NCC1(C#N)CC1 393931216 MTPCKHVFKWXTOV-NXEZZACHSA-N 194.278 1.447 30 20 ADED CCN(CCC#N)C(=O)CCC1CC1 400996653 IWFSCDCLWXRTRR-UHFFFAOYSA-N 194.278 1.939 30 20 ADED COCC#Cc1cc(C)c(F)cn1 585145085 CQZGSXRDWZVNPK-UHFFFAOYSA-N 179.194 1.527 30 20 ADED CC1(C)C[C@@H]1NC(=O)CC1(C#N)CC1 590173872 KUQSBFAYXJGWLU-QMMMGPOBSA-N 192.262 1.595 30 20 ADED N#C[C@@H](Sc1cnn[nH]1)C1CC1 601078233 INVVPFRTJQEJTC-ZCFIWIBFSA-N 180.236 1.199 30 20 ADED CCC1=NN(C[C@H](C)C#N)C(=O)[C@@H]1C 601934140 YLGRQDWPCDRCJU-HTQZYQBOSA-N 193.250 1.390 30 20 ADED CCCN(C)Cc1cccc(C#N)n1 602437711 JURSDXVURDVXLY-UHFFFAOYSA-N 189.262 1.795 30 20 ADED CC[C@H](CO)N(C)C[C@@H](C)CCC#N 602673126 ILWYPOWJFUCWIA-WDEREUQCSA-N 198.310 1.629 30 20 ADED C[C@H]1C[C@H]1C(=O)N(C)C1(C#N)CCC1 604465682 WVEMBCHEOMNGEO-DTWKUNHWSA-N 192.262 1.547 30 20 ADED CCc1noc(C)c1CN(C)CC#N 610710099 LHCCNOSCNHBMSQ-UHFFFAOYSA-N 193.250 1.501 30 20 ADED C[C@H](C#N)CNC(=O)[C@H]1CC[C@@H](C)C1 611454219 YZYKGQTUNBFFHF-BBBLOLIVSA-N 194.278 1.698 30 20 ADED C=CCCC[C@H](C)NC(=O)[C@H](O)C=C 613274618 GQOVUDAMKFJOGJ-VHSXEESVSA-N 197.278 1.394 30 20 ADED C=CCCNC(=O)[C@@H](C)CCCOC 617617009 RFZHNHMSEHXVII-JTQLQIEISA-N 199.294 1.741 30 20 ADED C=C(CC)CN[C@H](C)C[C@@H](C)N 643493479 ISJUIZQZMJBTOE-NXEZZACHSA-N 170.300 1.668 30 20 ADED C=CCCNC(=O)N[C@H]1CC1(C)C 660376538 QQDFRPPWNQLKHE-QMMMGPOBSA-N 182.267 1.660 30 20 ADED CCCN(CC#CCOC)CC1CC1 677132896 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193.250 1.828 30 20 ADED C#CCCNc1cnc(F)cn1 853331294 NTDLDDDUKLHOPW-UHFFFAOYSA-N 165.171 1.051 30 20 ADED C[C@@H](CC#N)OC(=O)CCF 892691479 OQVUGALXWSWLKA-LURJTMIESA-N 159.160 1.191 30 20 ADED CCC#CCOC(=O)[C@H](F)C(C)C 893841287 WADCUTGFCXQMMS-SECBINFHSA-N 186.226 1.937 30 20 ADED C=C1CN(C(=O)c2[nH]ccc2C)C1 898701695 UAYUREGXKLJEJU-UHFFFAOYSA-N 176.219 1.335 30 20 ADED C/C(Cl)=C/C(=O)NC[C@H](C)C#N 900651777 ZBDKZWUTSUVHJL-NPQKIFFKSA-N 186.642 1.405 30 20 ADED C=C[C@H](C)ONC(=O)CCC(=C)C 1262631298 ZOVGRRSLQZZVSA-VIFPVBQESA-N 183.251 1.965 30 20 ADED C=C(CC)C(=O)N1CCOC[C@H]1C 1347463092 NFCWZAVQIYSLQU-SECBINFHSA-N 183.251 1.200 30 20 ADED C=CCCC[C@H](N)C(=O)N(C)CC=C 1357465392 YYFYMXYFJJFSHP-JTQLQIEISA-N 196.294 1.314 30 20 ADED Cc1cnc(N=c2cc[nH]cc2C#N)[nH]1 1472725616 JOIUTNDJIPAWOL-UHFFFAOYSA-N 199.217 1.150 30 20 ADED C=CCCNC1(CC(=O)O)CCCC1 1588807801 YWDNIOXAYRWCIP-UHFFFAOYSA-N 197.278 1.940 30 20 ADED C=C(CCC(=O)O)C(=O)N(CC)CC 1602774384 ICWQKDOICBLZQV-UHFFFAOYSA-N 199.250 1.276 30 20 ADED C=CC1(C=O)CC(OC)(OC)C1 2048556829 XMYLVAHZXMEGEP-UHFFFAOYSA-N 170.208 1.141 30 20 ADED C=CCSc1nnc(CC)o1 6169044 LABMBPPEIDHESI-UHFFFAOYSA-N 170.237 1.910 30 20 ADED CN(C(=O)CC#N)c1cccc(C#N)c1 61983549 YVWSNGQYOZSELR-UHFFFAOYSA-N 199.213 1.435 30 20 ADED CC[C@H](C)CN1CCN(CC#N)CC1 70994915 USQPWBRBDOZCQH-NSHDSACASA-N 195.310 1.174 30 20 ADED N#C[C@@H]1CN(C2CCCC2)CCO1 86655545 WJZNQDVAFVVRFY-SNVBAGLBSA-N 180.251 1.153 30 20 ADED C=CCCC(=O)N[C@H](CN)CCCC 87779720 LWUKQYAOJDKQIU-JTQLQIEISA-N 198.310 1.586 30 20 ADED C=CCN(CC(=C)C)CC(=O)OCC 110071856 ZJMLJNOFUDQAIK-UHFFFAOYSA-N 197.278 1.614 30 20 ADED C#CCCCSc1ncnn1C 127684246 QVBRMJYCQWLXOI-UHFFFAOYSA-N 181.264 1.321 30 20 ADED C=CC[C@H](C)N[C@H](C)[C@@H](C)OC 161675383 WKKWGAIMBRPVBA-IVZWLZJFSA-N 171.284 1.964 30 20 ADED C#CCCCN(CC(=O)O)CC1CC1 163153599 MKGKNEAVGZCTDL-UHFFFAOYSA-N 195.262 1.196 30 20 ADED C#C[C@H](NC(=O)C=C)c1ccccc1 169647381 OFBJZECTAKQKBB-NSHDSACASA-N 185.226 1.663 30 20 ADED C=CCCC(=O)[C@H]1CCNC1 204810226 CVGOMFMRZNSYAM-QMMMGPOBSA-N 153.225 1.131 30 20 ADED C#CCCCNC(=O)[C@H]1CCCCO1 227433863 PVJVBLNBRBPOCF-SNVBAGLBSA-N 195.262 1.085 30 20 ADED N#Cc1ccnc(NCC2CC2)n1 231895321 ODFWEXGBQBKVEJ-UHFFFAOYSA-N 174.207 1.170 30 20 ADED C#CCCN[C@@H]1C[C@@H](OC)C1(C)C 234838268 WXEZIHVAWLXRBS-NXEZZACHSA-N 181.279 1.413 30 20 ADED C=CCC[C@@H](O)CN(CC)CC 238251636 NWPUXPWXGYVLDA-SNVBAGLBSA-N 171.284 1.655 30 20 ADED C=CC[C@H](C)[C@H](C)N[C@H]1CCN(C)C1 252712486 MOTSTQCIZZSTEH-SRVKXCTJSA-N 196.338 1.881 30 20 ADED C[C@@H](C#N)CC1CCNCC1 260088323 JHLPKXHVAXBKKJ-MRVPVSSYSA-N 152.241 1.536 30 20 ADED O=CC1(C[C@@H]2CCC[C@H](O)C2)CC1 306378693 TZNNHWGGTDPFAL-ZJUUUORDSA-N 182.263 1.907 30 20 ADED C#CC(=O)NCc1ccc(Cl)cc1 307046071 WZWGXMJSCPNZNN-UHFFFAOYSA-N 193.633 1.589 30 20 ADED CS[C@H]1CCN(C(=O)[C@H](C)C#N)C1 307352396 QZFAACXQHNOGHR-SFYZADRCSA-N 198.291 1.110 30 20 ADED C[C@@H](C#N)NC(=O)[C@H](C)C(C)(F)F 307413026 IJJYHRXLDZCDPN-WDSKDSINSA-N 190.193 1.306 30 20 ADED C[C@H](O)C[C@@]1(C=O)CCC[C@@H]1C 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C[C@@H]1C[C@H]1C(=O)NCC(C)(C)CC#N 315673448 UUMUJNVQCHZTHM-RKDXNWHRSA-N 194.278 1.698 30 20 ADED C=C[C@@H]1OCCC[C@H]1NCC 334650866 KNSWASHTOSJJJS-BDAKNGLRSA-N 155.241 1.330 30 20 ADED C=CCCC(=O)N1CC[C@@H](C)C1 335573956 NWGDRWQHHCTPPN-SECBINFHSA-N 167.252 1.821 30 20 ADED CC(C)N(C)C(=O)c1ccc(C#N)[nH]1 336457393 PJZRSWRINCJDJG-UHFFFAOYSA-N 191.234 1.367 30 20 ADED CC(C)CNN=C1CSC[C@@H]1C 379324550 ZMTZAVXMJBGSGV-QMMMGPOBSA-N 186.324 1.971 30 20 ADED CCCC=NN=c1cncc[nH]1 388403488 QCHSUQZOTCDWRK-UHFFFAOYSA-N 164.212 1.096 30 20 ADED C#C[C@@H](C)NC(=O)NCCC(C)C 388581420 FIISAQPKZMTVRC-SECBINFHSA-N 182.267 1.353 30 20 ADED C=CC[C@@H](C)NC(=O)C1=COCC1 388585689 HYOPOODXSQOILV-MRVPVSSYSA-N 181.235 1.371 30 20 ADED C[C@@H]1O[C@H](C)C[C@@H]1CNCCC#N 591771002 HNSQVZOCDAPCMP-KXUCPTDWSA-N 182.267 1.303 30 20 ADED C[C@H](CCC#N)CNCC1(C#N)CC1 602642339 JHFXRKYAYSCYJU-SNVBAGLBSA-N 191.278 1.820 30 20 ADED CC(=O)CN1CCCC(C)(C)[C@@H]1C#N 639631234 VMSAJLLMVITIGI-JTQLQIEISA-N 194.278 1.590 30 20 ADED C=CCCC(=O)NC[C@@H](C)CN(C)C 644809916 QJUOVEVXLAPAKS-SNVBAGLBSA-N 198.310 1.267 30 20 ADED C=C(C)CCN(C)Cc1cnc[nH]1 661088518 KSIWXBJZXOGZIJ-UHFFFAOYSA-N 179.267 1.808 30 20 ADED CCC#C[C@H](C)N(C)Cc1cnc[nH]1 661088537 LPOLZOZTLBLDGM-JTQLQIEISA-N 191.278 1.643 30 20 ADED C=C(CC)CN(C)CCCC(=O)NC 678628014 NEOIZNMGNGFMFY-UHFFFAOYSA-N 198.310 1.411 30 20 ADED C=CCCN(C)C(=O)[C@H]1CCCN1C 682427505 WKHXGMQVAFGWTR-SNVBAGLBSA-N 196.294 1.115 30 20 ADED C=CCCCC(=O)NC1CCOCC1 748297293 RSYXPKCTDPYMGB-UHFFFAOYSA-N 197.278 1.638 30 20 ADED C#C[C@@H](CC)NC(=O)C[C@@H](O)CCC 754680113 NCTRMBBYCJQTOZ-UWVGGRQHSA-N 197.278 1.066 30 20 ADED C[C@H]1CN(C2CC2)CC1=NNC1CC1 758133332 MIUUQCYRYHTKCG-QMMMGPOBSA-N 193.294 1.209 30 20 ADED CCc1ccc(C=NN[C@H](C)CO)o1 760258885 DFRDGEWVFUEVQW-MRVPVSSYSA-N 196.250 1.146 30 20 ADED CC[C@@H]1CCC1=NN1CCN(C)CC1 807943630 OLBWWHAYTPCMMN-SNVBAGLBSA-N 195.310 1.410 30 20 ADED CC[C@@H](O)CNN=Cc1ccccc1 811657343 LLJBEFAGAIJGAQ-LLVKDONJSA-N 192.262 1.381 30 20 ADED 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C=C(C)CNC(=O)N[C@H]1C=CCC1 852262944 CHWVNOXOTXXCNZ-VIFPVBQESA-N 180.251 1.580 30 20 ADED C#CCNN=C(C)C1(OC)CCC1 853354865 XNAPHPVLHDGFPI-UHFFFAOYSA-N 180.251 1.154 30 20 ADED C=CCCc1noc(CNC(C)C)n1 854161358 XAXAWPJFZATLKK-UHFFFAOYSA-N 195.266 1.686 30 20 ADED C=C(CO)C(=O)N1[C@@H](C)CCC1(C)C 854898275 VCRNLIFYDIVXNI-VIFPVBQESA-N 197.278 1.324 30 20 ADED C=CCCONC(=O)c1ccn(C)c1 856031858 AKRXAUIMERZNCF-UHFFFAOYSA-N 194.234 1.263 30 20 ADED C=CCCONC(=O)C1(C)CC1 856032282 JNSVYVHOOJUAGJ-UHFFFAOYSA-N 169.224 1.410 30 20 ADED C#CCN(C)c1nc(C)cnc1C 882247167 ZBVHOHCKKPWXGR-UHFFFAOYSA-N 175.235 1.163 30 20 ADED C=CCN1CCC[C@@H]1C1OCCO1 885432686 WGYFSTZXIITGBV-SECBINFHSA-N 183.251 1.010 30 20 ADED C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CO 889156576 AFVFFJGNGTVYMG-SECBINFHSA-N 197.278 1.182 30 20 ADED C#CCSCC(=O)N(C)C(C)(C)C 892287844 XDAPPVWMSGRNRR-UHFFFAOYSA-N 199.319 1.610 30 20 ADED C=C[C@@H](C)NC(=O)NC/C=C/Cl 899049202 YZMCWCBXMFKMKM-SMMXGFFBSA-N 188.658 1.613 30 20 ADED 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CC(C)[C@@H](O)CNC[C@H](C)CCC#N 602547880 UAUIUCALHJGBNK-MNOVXSKESA-N 198.310 1.533 30 20 ADED C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 603267122 QZWIGWLFJPHKNW-ZETCQYMHSA-N 189.218 1.121 30 20 ADED Cc1nc(C(=O)N[C@H](C)CC#N)co1 614297901 PJQGUOTYORAYPH-ZCFIWIBFSA-N 193.206 1.015 30 20 ADED C=CC[C@H](CC)NC(=O)[C@H](O)C(C)C 671845361 LLPJZKRDRLYXFR-VHSXEESVSA-N 199.294 1.474 30 20 ADED Cc1ccc2c(c1)[C@@H](C(=O)NO)C2 671996351 HDXWBDZWISBROF-VIFPVBQESA-N 177.203 1.140 30 20 ADED C=CCCOCC(=O)N1CCC[C@H]1C 674425064 XJWNEUJKSDBQHD-SNVBAGLBSA-N 197.278 1.590 30 20 ADED CC#CCCN1CCN(CC)[C@H](C)C1 680886317 WTJGLGOSHAABLM-GFCCVEGCSA-N 194.322 1.426 30 20 ADED C#CCN(C)CCCNCC1(C)CC1 687304182 VPIAFLMEWIHJCW-UHFFFAOYSA-N 194.322 1.331 30 20 ADED C#CCCCN(C)[C@H](CO)C(C)(C)C 689229255 HRAAIRLHCHNFDM-LLVKDONJSA-N 197.322 1.739 30 20 ADED CCC1CN(C(=O)[C@@H](C)C#N)C1 698458133 LSDMCCGSNCGORK-ZETCQYMHSA-N 166.224 1.014 30 20 ADED CC[C@@H]1C[C@H]1CN1CCO[C@H](C#N)C1 723122042 DJZIFEKTIZWSCS-OUAUKWLOSA-N 194.278 1.257 30 20 ADED C=CC[C@H](C)NC(=O)c1ncccn1 743419651 XPFMUWOYTQQLJQ-QMMMGPOBSA-N 191.234 1.171 30 20 ADED CC(=NN[C@H](C)CO)C1CCCCC1 749815377 GQGHGSYHMZUEQF-SECBINFHSA-N 198.310 1.913 30 20 ADED C(=NO[C@@H]1CCCCO1)c1cnc[nH]1 755821027 AIDPCGBUTAVLQF-SECBINFHSA-N 195.222 1.287 30 20 ADED C#C[C@H](C)NC(=O)NCCCCC#N 773595832 GAWKDPLLZLUHGF-VIFPVBQESA-N 193.250 1.001 30 20 ADED C#C[C@H](C)/N=C/c1cccc(O)c1O 773908942 YTFLBQWAJBTQBM-OTIXFSKASA-N 189.214 1.538 30 20 ADED C=CCOCCOC(=O)C1(CC)CC1 797310145 QMGYXNUYBRJGDX-UHFFFAOYSA-N 198.262 1.922 30 20 ADED CON=CC(=O)NC[C@H]1CC[C@H](C)C1 809801229 PKEPUKKSGLOHJS-IUCAKERBSA-N 198.266 1.171 30 20 ADED C#CCONC(=O)C[C@H]1CCC[C@H]1C 812785923 QRBCHMZVVDFXLZ-NXEZZACHSA-N 195.262 1.494 30 20 ADED CCO/C=C\C(=O)NC1(C#N)CCC1 813402703 PJQATZMMXUQWDA-DAXSKMNVSA-N 194.234 1.099 30 20 ADED C#CCCNC(=O)c1ccsc1C 823326374 BDEIDJSFEPRWIP-UHFFFAOYSA-N 193.271 1.810 30 20 ADED C#CC1CCN([C@@H](C)COC)CC1 830326616 XIXHRSYCZOVLFU-JTQLQIEISA-N 181.279 1.367 30 20 ADED C=CCCOC(=O)[C@@H]1CCC(=O)C1 830897140 OVJUQUYFASYVPO-MRVPVSSYSA-N 182.219 1.475 30 20 ADED C#Cc1cccc(CNC(=O)CC)c1 837104269 UVMPJJFJSFFLNK-UHFFFAOYSA-N 187.242 1.694 30 20 ADED CCCON=Cc1ccnc(OC)n1 842551173 PETLSUQYBGWDKD-UHFFFAOYSA-N 195.222 1.246 30 20 ADED C#CCCCOC(=O)/C=C(/C)COC 845239669 BZAACPGAGHLZEA-NTMALXAHSA-N 196.246 1.536 30 20 ADED C=C(C)CONC(=O)c1cc[nH]c1C 846537218 ISKVLDFCMDKKNZ-UHFFFAOYSA-N 194.234 1.561 30 20 ADED C=C(C)CCNC(=N)N1CCC1 849035963 JPGGYOAABOFDGD-UHFFFAOYSA-N 167.256 1.183 30 20 ADED C#CCCOC(=O)N[C@@H]1CCSC1 859032969 CHDQLFCPZMAJHA-MRVPVSSYSA-N 199.275 1.241 30 20 ADED N#C[C@@H]1CC[C@H](N2CC[C@H](CF)C2)C1 880298606 GCAKAGPEACWVFV-MXWKQRLJSA-N 196.269 1.970 30 20 ADED CCC#CCOC(=O)c1c[nH]nc1C 893839930 DOEYPDRCAPDTNL-UHFFFAOYSA-N 192.218 1.288 30 20 ADED CCC#CCOC(=O)CC[C@@H](C)OC 893841295 WIHFZRKDXYWWJF-SNVBAGLBSA-N 198.262 1.758 30 20 ADED N#Cc1ccnc(CSCCO)c1 901425800 WNTMOIYTFMFHDW-UHFFFAOYSA-N 194.259 1.179 30 20 ADED N#CCCNCC[C@H]1CCCC[C@H]1O 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171.284 1.966 30 20 ADED COC(=O)C#C[C@H](C)C1CC1 164560860 YKXVZSPWWYHLDP-ZETCQYMHSA-N 152.193 1.209 30 20 ADED C=CC[C@@H](C)[C@H](C)NCC(C)(C)O 167495855 QVEFYOHUCYAOMP-ZJUUUORDSA-N 185.311 1.948 30 20 ADED C=C(C)CCN(CCC)CCO 168017278 NHXWWZXTVPQUHH-UHFFFAOYSA-N 171.284 1.657 30 20 ADED Cc1cc(C)c(C(=O)NCC#N)s1 202945033 IENWXQGTDBGBQA-UHFFFAOYSA-N 194.259 1.618 30 20 ADED CCC[C@H](O)CN[C@H](CC)CC#N 217890843 AVODRJBGXDSCTO-ZJUUUORDSA-N 184.283 1.429 30 20 ADED C#CCCCN[C@H]1CCO[C@@H](C)C1 223132084 UWJCMJNOFAPWIY-QWRGUYRKSA-N 181.279 1.557 30 20 ADED C=C(C)CNC[C@H]1CCSC1 224480729 KSUASBLPDDANPC-SECBINFHSA-N 171.309 1.905 30 20 ADED C=C[C@H](NCc1cccs1)C(=O)O 301042692 KRZYYKKLCDQYBD-QMMMGPOBSA-N 197.259 1.477 30 20 ADED C=C[C@@H](C)NC(=O)NC1CC(C)C1 306360825 NIWJRXJLZQIAGF-QJAFJHJLSA-N 182.267 1.659 30 20 ADED N#CCOC(=O)[C@H]1CC=CCC1 307069169 ZPXBAGITDROQQU-QMMMGPOBSA-N 165.192 1.409 30 20 ADED C=C(Cl)CN1C[C@H](C)OC[C@H]1C 307459199 DQXWMMAEMRCKPQ-BDAKNGLRSA-N 189.686 1.848 30 20 ADED CC(C)[C@@H](C#N)NC(=O)[C@H]1C[C@H]1C 307712907 YUKKZTCQHCRGDS-HRDYMLBCSA-N 180.251 1.307 30 20 ADED C=CCCN(C)C(=O)/C(C)=C/C 307959138 UNKPHSQIBAVGSP-RMKNXTFCSA-N 167.252 1.987 30 20 ADED CC(C)CON=C[C@H]1CCOC1 307961527 LWIPBVODHTYGER-SECBINFHSA-N 171.240 1.681 30 20 ADED C#CCNC(=O)N(C)[C@H](C)C(C)C 308129795 ADQGECXSLQSTQI-SECBINFHSA-N 182.267 1.306 30 20 ADED CC(C)CNN=C1CCOC[C@H]1C 308150473 OCAPZDFPUURFPR-SECBINFHSA-N 184.283 1.644 30 20 ADED C=CCNC(=O)NOC/C=C/Cl 308153058 NOWYZHGGKONILJ-ONEGZZNKSA-N 190.630 1.156 30 20 ADED CNC(=S)NN=C1CCC[C@H]1C 308176362 ZMIFBEWGHNJUOC-ZCFIWIBFSA-N 185.296 1.256 30 20 ADED C#C[C@H](CC)NC(=O)[C@H](F)C(C)C 308235918 QWTROYFNDMEODP-RKDXNWHRSA-N 185.242 1.509 30 20 ADED C[C@@H]1CN(C)CC1=NOCC(F)F 308345960 VKJNVBGDYXDACD-ZCFIWIBFSA-N 192.209 1.206 30 20 ADED C=CCCCC(=O)O[C@H]1CCOC1 308348034 WRXHEBLJRMFSMH-VIFPVBQESA-N 184.235 1.675 30 20 ADED C=CCCC(=O)NC[C@@H]1CCSC1 308348557 WZNXUGXYXWRXHG-VIFPVBQESA-N 199.319 1.822 30 20 ADED C#CCCCSCc1cnn(C)n1 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LDLVTGMZYUSVGC-UHFFFAOYSA-N 194.234 1.561 30 20 ADED CC(=NN1CCC1)c1ccc(N)nc1 872398392 RBHXIKPLQMNMOW-UHFFFAOYSA-N 190.250 1.094 30 20 ADED C#CCN1CCC[C@@H]1c1ncccn1 878977164 ZPSUIAHHBHFOQA-SNVBAGLBSA-N 187.246 1.247 30 20 ADED C#CCO[C@@H](C)C(=O)N(O)CCCC 904215081 ZLCTZXPSXCIGHY-VIFPVBQESA-N 199.250 1.043 30 20 ADED C#CCN(CC)C(=O)C=C1CCCC1 919877187 HLOVNWDAMHRHEY-UHFFFAOYSA-N 191.274 1.969 30 20 ADED CCc1ncc(CN(C)CC#N)o1 929488754 GHJFBTRTWAXACO-UHFFFAOYSA-N 179.223 1.192 30 20 ADED C=CCN1CC[C@H](C(=O)OCC)C1 932648586 XRNCTWOCSUOUSM-VIFPVBQESA-N 183.251 1.057 30 20 ADED C=C[C@@H](C)NC(=O)c1ocnc1CC 1335843528 JSLLCCGIIBKKDU-SSDOTTSWSA-N 194.234 1.541 30 20 ADED C=CC(=O)N1CCc2cc(C#N)ccc21 1338389683 NXPKZDDTCPNXDA-UHFFFAOYSA-N 198.225 1.633 30 20 ADED C=C(C)C[C@H](N)C(=O)NC(C)(C)C 1574067140 KIHIAGQUGVUNTE-QMMMGPOBSA-N 184.283 1.195 30 20 ADED C=CCN1CCC[C@@H]1C(C)(C)C(=O)O 1776181473 JAMISMIZCDQFIK-SECBINFHSA-N 197.278 1.748 30 20 ADED C=CCn1cnc(=O)c2ccccc21 1849100 HJAGMWZVOZVIBM-UHFFFAOYSA-N 186.214 1.583 30 20 ADED N#Cc1cccc(CNCCCO)c1 20187865 XHTCRRNYMOAGNG-UHFFFAOYSA-N 190.246 1.030 30 20 ADED C=CCC(F)(F)C(=O)C(=O)OCC 36438402 IKJJKIIGFXIFSZ-UHFFFAOYSA-N 192.161 1.330 30 20 ADED C=CCNC(=O)C1=CCCC1 39064700 KUZQJGWNJRQGIZ-UHFFFAOYSA-N 151.209 1.399 30 20 ADED C[C@H](C#N)CN(C)C(=O)C1CCC1 42460514 CMYCGNWDIMEHRZ-MRVPVSSYSA-N 180.251 1.405 30 20 ADED CN(CCCCC#N)CCCC(=O)O 42717796 OOIVVYVEQFCMAD-UHFFFAOYSA-N 198.266 1.477 30 20 ADED Cc1c(C#N)ccc2[nH]ncc12 43220601 JZFGGTZDIPNTFM-UHFFFAOYSA-N 157.176 1.743 30 20 ADED in-vitro CN(C)Cc1cc(C#CCN)cs1 43688849 GDONXDXGFJHMGJ-UHFFFAOYSA-N 194.303 1.120 30 20 ADED CC1(C)CCN(CC#N)CC1 61803889 ZKLAPQHXWJOJRU-UHFFFAOYSA-N 152.241 1.632 30 20 ADED N#CCCCn1cc(Cl)c(N)n1 69759759 JPZCLCGXSPZROC-UHFFFAOYSA-N 184.630 1.422 30 20 ADED C#CCCSCC(=O)OCC 82496867 YBDMUOBLYZZPGC-UHFFFAOYSA-N 172.249 1.306 30 20 ADED C=C(CC)CN1CCCC[C@@H]1C(=O)O 85059951 FDJKQCBSPIUEFJ-SNVBAGLBSA-N 197.278 1.892 30 20 ADED N#CC[C@H](O)c1cc(F)ccc1F 85878716 WUMJPWZOXQBKOF-VIFPVBQESA-N 183.157 1.912 30 20 ADED C=Cc1ccc2ncc(C#N)n2c1 89201982 LJTYDZVYJFWDLI-UHFFFAOYSA-N 169.187 1.849 30 20 ADED C=CCC[C@@H](C)NCC(=O)NC(C)C 126731090 CVOVVQAYEASYKX-SNVBAGLBSA-N 198.310 1.455 30 20 ADED C=C[C@H](C)NC(=O)NCCC 130377835 XYYYGKVWZBZMDD-ZETCQYMHSA-N 156.229 1.270 30 20 ADED CS[C@H](C)CNC(=O)[C@@H](C)C#N 159466505 YRSFKNMLFOUVHI-NKWVEPMBSA-N 186.280 1.014 30 20 ADED C#C[C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C 166757135 SRWVQOOEDNZMOO-BDAKNGLRSA-N 197.278 1.328 30 20 ADED CC#CC(=O)N1CCC[C@H](C(C)C)C1 216379267 LWOBRLGIIVMUFF-NSHDSACASA-N 193.290 1.904 30 20 ADED CO[C@H](C)CNc1cnccc1C#N 224222645 PTUZSBGPSZTXQT-MRVPVSSYSA-N 191.234 1.400 30 20 ADED C=CCCOCCNC(=O)C(C)(C)C 229930901 IFVSIQATYBXHTK-UHFFFAOYSA-N 199.294 1.741 30 20 ADED CC(=O)OCc1ccc(C#N)cc1F 232709978 ZZSYXDMHOJJLTJ-UHFFFAOYSA-N 193.177 1.760 30 20 ADED C#C[C@H](CC)NC(=O)C1(C#N)CCC1 234029008 CXMXNQIICBSODT-SECBINFHSA-N 190.246 1.208 30 20 ADED COc1cccc([C@H](N)CC#N)c1C 238393188 XPZNHIGQIVWLBN-SNVBAGLBSA-N 190.246 1.917 30 20 ADED C[C@H]1C[C@H](S)C[C@@H](C)O1 251784427 FQXLSQQZCJKEQV-KVSKUHBBSA-N 146.255 1.872 30 20 ADED C#CCCn1cc(F)ccc1=O 306159684 POVGZBYPYQRWPW-UHFFFAOYSA-N 165.167 1.011 30 20 ADED C#CC(=O)Nc1cnc(C)s1 306271092 VEUVEJWMZUFROU-UHFFFAOYSA-N 166.205 1.023 30 20 ADED C#CCN1CCC[C@H]1c1ncc[nH]1 306428612 MXBGVDMGFPOWMR-VIFPVBQESA-N 175.235 1.180 30 20 ADED CC#CCOC(=O)[C@H]1C[C@@H]1C 306469410 URBWVOLCUYQZPY-YUMQZZPRSA-N 152.193 1.209 30 20 ADED CC(C)[C@@H]1C[C@]2(CCO1)O[C@H]2C#N 306538910 ULBGJNBGJRPVIR-GUBZILKMSA-N 181.235 1.483 30 20 ADED Cc1cccc(C(=O)OCC#N)n1 306690608 MRUKTXOHMKGRAK-UHFFFAOYSA-N 176.175 1.070 30 20 ADED C#C[C@H](C)NC(=O)C1=CCCCC1 306698057 XFIOWZBBWIGIOW-VIFPVBQESA-N 177.247 1.625 30 20 ADED C#CCCN[C@@H]1CCC[C@@H]2C[C@@H]21 306748889 JUIQSGQDBWFVSZ-OUAUKWLOSA-N 163.264 1.788 30 20 ADED C#CC(=O)N1CC[C@@H](CC(C)C)C1 307084510 LODRFDMGLWGZJF-JTQLQIEISA-N 179.263 1.514 30 20 ADED C=CCN1CCS[C@H](C)CC1 307190726 ZYHZIESXEQAUFR-SECBINFHSA-N 171.309 2.000 30 20 ADED C#CCNC(=O)c1cc(C)cc(C)n1 307734815 WKIIUPZMHFEBER-UHFFFAOYSA-N 188.230 1.061 30 20 ADED C=CCSCCn1ccnc1 307885019 UOOYNRKLGKXAPL-UHFFFAOYSA-N 168.265 1.802 30 20 ADED C#CCN(CC)C(=O)/C=C/SC 307974106 JIATZISOYKMYQL-SOFGYWHQSA-N 183.276 1.345 30 20 ADED C=CCN(C)C[C@H]1CCC=CO1 308143526 IPVMNFBOPZYXMN-SNVBAGLBSA-N 167.252 1.797 30 20 ADED C=CCN(C)C(=O)[C@@H]1[C@@H](C)C1(F)F 308266338 QBGAIZKBYHWWQQ-RQJHMYQMSA-N 189.205 1.532 30 20 ADED CC#CCNC(=O)CCC(F)(F)F 308325420 FMGDQEOXLXOQMA-UHFFFAOYSA-N 193.168 1.468 30 20 ADED CCCNC(=S)NN=C[C@H]1C[C@@H]1C 308505643 ZAXMFMBFHVIHDW-JGVFFNPUSA-N 199.323 1.502 30 20 ADED COCCN(CC#N)Cc1ccco1 316516047 VAWXHKYLPWNPNM-UHFFFAOYSA-N 194.234 1.252 30 20 ADED C=CCNC(=O)Nc1ccc(F)cn1 336000994 NTKQKYMSYHKBMF-UHFFFAOYSA-N 195.197 1.528 30 20 ADED CO[C@@H](C)C(C)=NNCC(F)(F)F 379368948 ZLKVCPVMAOYYKV-LURJTMIESA-N 198.188 1.549 30 20 ADED N#CCCCCN1C[C@H]2C[C@@H]2C1 380388313 WEPFUMJOCSKRGZ-NXEZZACHSA-N 164.252 1.632 30 20 ADED CSCCON=Cc1ccncc1 388279098 KVOWQFVWONBYLZ-UHFFFAOYSA-N 196.275 1.795 30 20 ADED CSCCON=Cc1cc[nH]n1 388510773 QYGAYQCGJIZQMV-UHFFFAOYSA-N 185.252 1.123 30 20 ADED CC#CCCOC(=O)CC(C)(F)F 388816402 SJKUQVREZZFCHH-UHFFFAOYSA-N 190.189 1.988 30 20 ADED C=CCNC(=O)CN[C@H](C)C1CCC1 389307889 OBKODEFMFBYZMP-SECBINFHSA-N 196.294 1.067 30 20 ADED C=C(CC)CN[C@H](C)[C@H](C)O 395756618 RNBJCYVSWVTSEH-BDAKNGLRSA-N 157.257 1.312 30 20 ADED COC[C@@H](N[C@H](C)CCC#N)C(C)C 591026361 ZGLOIBZIABPSTL-GHMZBOCLSA-N 198.310 1.939 30 20 ADED CC[C@H](CN(C)CC(C)(C)C#N)OC 591376190 QIZKRFVEVOMFQA-SNVBAGLBSA-N 198.310 1.893 30 20 ADED CC[C@](C)(C#N)C(=O)N1CCCCN1 597643971 WJTFVYKWBKNHCA-SNVBAGLBSA-N 195.266 1.053 30 20 ADED Cc1cnc(CN(C)C[C@@H](C)C#N)[nH]1 600111954 HHTCARPDIORJHH-QMMMGPOBSA-N 192.266 1.310 30 20 ADED CCN(CCC#N)[C@@H]1CC[C@H](C#N)C1 618904959 OAIWLOPYDFWXPH-WDEREUQCSA-N 191.278 1.914 30 20 ADED CC[C@@H]1C[C@H]1NC(=O)NC[C@H](C)C#N 619564498 UFQKBSYDKVLBEH-IWSPIJDZSA-N 195.266 1.244 30 20 ADED C=CCCO[C@H](C)C(=O)NCCCC 620565964 VLBGKZQEZWJMMV-SNVBAGLBSA-N 199.294 1.884 30 20 ADED C=CCC[C@@H](CCC)NCCN 643495734 SYFGLGNMIRKOPG-SNVBAGLBSA-N 170.300 1.670 30 20 ADED C=C(CC)CNC(=O)CN(C)CCC 654375459 HAAAYYPRHZINJB-UHFFFAOYSA-N 198.310 1.411 30 20 ADED C=CCn1cc(C[C@H](O)C(C)C)nn1 656445799 WDDCDSXSIIOSFT-JTQLQIEISA-N 195.266 1.024 30 20 ADED C=C[C@@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 674952058 RLVJHCRRJXBDOB-ZYUZMQFOSA-N 195.262 1.245 30 20 ADED CC#CCNC(=O)C[C@H]1CCCCO1 677813792 SDWWISVSFCRQFV-SNVBAGLBSA-N 195.262 1.085 30 20 ADED C=CC[C@@H](C)NC(=O)CC[C@@H](C)OC 679887275 PSDJUNPJUSXJCR-NXEZZACHSA-N 199.294 1.882 30 20 ADED C=CC[C@H](CC)NC(=O)[C@H](C)OCC 684939449 PCIKRXQEGHADLG-UWVGGRQHSA-N 199.294 1.882 30 20 ADED C[C@H](CCO)N[C@H](C)CC(C)(C)C#N 695883752 AQROCBAYJQLFNX-NXEZZACHSA-N 198.310 1.675 30 20 ADED CC#CC[C@H](CO)N[C@@H]1CC[C@H]1C 717765411 QEEWFGUYBIDZIY-GMTAPVOTSA-N 181.279 1.149 30 20 ADED CC(CC1CCCC1)=NN[C@H](C)CO 752731687 OGIDOAGSBBWZHD-SNVBAGLBSA-N 198.310 1.913 30 20 ADED C[C@@H](C(=O)NCCC#N)C1CCCC1 787620889 IILZCGGSXHRIRA-SECBINFHSA-N 194.278 1.843 30 20 ADED N#Cc1ccc(NN=C2COC2)cc1 814803277 OVPBDOZRBUPRCF-UHFFFAOYSA-N 187.202 1.356 30 20 ADED C=CCON=C1CCO[C@@H](C)C1 835013608 VMHBEDALHGICNV-QMMMGPOBSA-N 169.224 1.744 30 20 ADED C=CCN(C(=O)C#CC1CC1)C1CC1 837514560 XYHNSDVBBYCSGC-UHFFFAOYSA-N 189.258 1.577 30 20 ADED C#C[C@H](C)N(C)C(=O)NCCC(=C)C 838660589 MXNDAVCSLQFNGT-JTQLQIEISA-N 194.278 1.616 30 20 ADED CCC(=NN(C)C[C@H](C)O)[C@H]1C[C@@H]1C 841648848 ZPOXIUSHHKZKNB-GUBZILKMSA-N 198.310 1.721 30 20 ADED OC[C@H]1CCCN1N=Cc1ccco1 841659864 ACCOJKDSJYVDGO-SECBINFHSA-N 194.234 1.070 30 20 ADED C=C(Cl)CN[C@@H](CN)C(C)(C)C 852750473 WAZPFHWJGIAESJ-QMMMGPOBSA-N 190.718 1.702 30 20 ADED C=CCCNC(=O)[C@H]1CCC=CO1 855383434 VVUNOHAGNZMFKW-SECBINFHSA-N 181.235 1.371 30 20 ADED CC(C)CC=NN1CCOC1=O 863162364 GBZWQGPEVIGUAS-UHFFFAOYSA-N 170.212 1.471 30 20 ADED N#CCCOCCN1C[C@H]2C=C[C@H]1C2 880451396 MDMUDVVYTGLOQT-QWRGUYRKSA-N 192.262 1.177 30 20 ADED C=C(C)CN1C[C@H]2CC[C@H]1[C@@H](O)C2 887044627 ZGYOTUAZRPMCKE-DCAQKATOSA-N 181.279 1.408 30 20 ADED CCC#CCOC(=O)[C@@H]1CC1(F)F 893844219 ZIQKEYTUOCLSAE-ZETCQYMHSA-N 188.173 1.598 30 20 ADED C#CCN(C)C(=O)C1CCC(=C)CC1 897536139 RLXIREKAMBLKLQ-UHFFFAOYSA-N 191.274 1.824 30 20 ADED C=CC[S@](=O)Cc1ncc(C)cn1 905201788 VRBKTIGJFUQORY-ZDUSSCGKSA-N 196.275 1.220 30 20 ADED N#C[C@]1(F)CCN(CCOC2CC2)C1 930253515 VASWEIAEVZYGSH-SNVBAGLBSA-N 198.241 1.103 30 20 ADED CC#CCN1CC[C@@H](N(C)C)[C@H]1C 931041522 JIUVWZKYJXHNAV-GHMZBOCLSA-N 180.295 1.034 30 20 ADED C=CCON=C1CCc2cccnc21 1119356513 IKKJYZNDVGGCSG-UHFFFAOYSA-N 188.230 1.935 30 20 ADED C=CCNCCCC[C@@H](C)NC(C)=O 1168679420 GXHZJNSBNYGABB-SNVBAGLBSA-N 198.310 1.457 30 20 ADED C=C(CC)C(=O)NC[C@@H](O)CCC 1347028679 BKKSXFORERAYMQ-VIFPVBQESA-N 185.267 1.230 30 20 ADED C=CCCCCNC(=O)[C@H]1C[C@@H]1F 1354910256 RKIDBZDZDRFVPY-IUCAKERBSA-N 185.242 1.817 30 20 ADED C#C[C@H](C)NC[C@H](N)CCC(C)(C)C 1574486872 VIRVMYJYDJFOBI-WDEREUQCSA-N 196.338 1.751 30 20 ADED C#CC[C@H](NCC1(C)CCC1)C(=O)O 1588422468 KBWUOISBAJAUSH-VIFPVBQESA-N 195.262 1.243 30 20 ADED C=CC[C@@H](C(=O)O)N1C[C@H]2C=C[C@H]1C2 1602835281 NFIQGGRSEMUIJV-GUBZILKMSA-N 193.246 1.276 30 20 ADED C=CCN(CCN)Cc1ccccc1 32008329 MGCLMEOMDTXFHD-UHFFFAOYSA-N 190.290 1.633 30 20 ADED CC[C@H](CC#N)NC[C@@H]1CCCO1 36680027 ACIFESZKBZOMGG-ZJUUUORDSA-N 182.267 1.447 30 20 ADED CCN(CCC(=O)OC)C[C@@H](C)C#N 42447472 YZQWFVUKVRKORR-VIFPVBQESA-N 198.266 1.031 30 20 ADED CCCCN1CCO[C@H](C#N)C1 82474098 LWDQWCQHQVWZMP-SECBINFHSA-N 168.240 1.011 30 20 ADED C#CCCNc1ccc(C(N)=O)cc1 82496773 UJHCBOQRLBJETL-UHFFFAOYSA-N 188.230 1.221 30 20 ADED C#CCN(CC)C(=O)c1cc(C)on1 108951046 MIZMLJGQFZGMSS-UHFFFAOYSA-N 192.218 1.078 30 20 ADED CC#CCCNC(=O)[C@](C)(C#N)CC 125829539 OXROWUMTNUVMHY-NSHDSACASA-N 192.262 1.456 30 20 ADED C=CCC[C@@H](C)NC[C@H](C)CO 126783063 HCGAWXSVVFDWNO-VHSXEESVSA-N 171.284 1.559 30 20 ADED 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1.010 30 20 ADED N#CCN1CC[C@@H](c2ccco2)C1 609539936 JFLAVDDOOHZKDJ-SECBINFHSA-N 176.219 1.592 30 20 ADED CC[C@@H](O)CN1CCC[C@](C)(C#N)C1 612167382 XWXTXWSEGPGMDP-GHMZBOCLSA-N 196.294 1.383 30 20 ADED C=C[C@H](O)C(=O)N1CC(C)(C)C[C@@H]1C 616294968 FKGGSZAGYUKNDT-IUCAKERBSA-N 197.278 1.180 30 20 ADED C=CCCNC(=O)Cc1cncs1 617617564 LNZDKLNNKPIBAP-UHFFFAOYSA-N 196.275 1.378 30 20 ADED C=C[C@@H]1OCC[C@H]1NC1CC(OC)C1 648745282 CXYNIMMBYGKSFJ-LXKPXOPUSA-N 197.278 1.097 30 20 ADED CC#CCN1CCCC[C@H]1[C@@H](C)CO 661435700 LANMTBWGDDZNSB-RYUDHWBXSA-N 195.306 1.493 30 20 ADED C=CCCCN[C@H](C=C)CO 662165877 TZGZOAAQXKLGOJ-SECBINFHSA-N 155.241 1.089 30 20 ADED C=C(C)CCN(C)CCN(C)C1CC1 681412322 MCGMQEULXFAQGZ-UHFFFAOYSA-N 196.338 1.979 30 20 ADED C=C[C@@](C)(O)CC(=O)N1CC=CCC1 685817508 GUUTZJGBHWSKMR-LLVKDONJSA-N 195.262 1.102 30 20 ADED C/C=C/C=C\C(=O)N[C@](C)(C#N)CC 706007609 GDBOIYAVVGUDHT-WRTVOVOXSA-N 192.262 1.927 30 20 ADED C=CCCN1C[C@@H](C)[C@H](CCN)C1 723881588 ATQZQVRJWKYQKQ-GHMZBOCLSA-N 182.311 1.479 30 20 ADED CN1CCN(N=CC2CCCC2)CC1 741837490 KWVQHHCVENYEME-UHFFFAOYSA-N 195.310 1.410 30 20 ADED CC(C)C(=NN1CCOCC1)C1CC1 750917588 JSLKWYGVJNLEAV-UHFFFAOYSA-N 196.294 1.741 30 20 ADED CC#CCCON=C1CCCOCC1 764942258 WOTOURNHAXADKS-UHFFFAOYSA-N 195.262 1.973 30 20 ADED C#C[C@H](C)N(C)Cc1c(C)noc1C 769962736 JEBKTHPGSCNQGQ-QMMMGPOBSA-N 192.262 1.745 30 20 ADED O=C(NO)c1noc2c1CCCCC2 782171421 GAZNEHSEDHCPJM-UHFFFAOYSA-N 196.206 1.063 30 20 ADED C[C@@H](C#N)CN(C)C(=O)OCC1CC1 784926425 URMKDYPUGDDBLO-QMMMGPOBSA-N 196.250 1.624 30 20 ADED C#CCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C 790968110 MVJWEEGXGZWLBY-JQWIXIFHSA-N 193.290 1.760 30 20 ADED C#C[C@H](NC(=O)C1=COCC1)C(C)C 799047630 FUQLFMSKDBDFNY-JTQLQIEISA-N 193.246 1.065 30 20 ADED N#CCOC(=O)c1cc(C2CC2)no1 799576621 JFRMPTOWPOJZSO-UHFFFAOYSA-N 192.174 1.232 30 20 ADED C=C(C)CCOC(=O)CC1(CO)CC1 803392476 OGOFXRLTBCJREP-UHFFFAOYSA-N 198.262 1.658 30 20 ADED CC1(C=NOC[C@@H]2CCOC2)COC1 814912523 VXSFDMHETVGVEV-SECBINFHSA-N 199.250 1.062 30 20 ADED CC(=NNCCC(=O)O)c1ccco1 819726993 XVIFGGTUUWQBNB-UHFFFAOYSA-N 196.206 1.068 30 20 ADED C=CCN(C)C(=O)[C@H](O)CCCCC 829915110 AWPBGRHBLTVRLW-SNVBAGLBSA-N 199.294 1.572 30 20 ADED C#CCCCC(=O)N(C)[C@H](CC)CO 833343015 DEOBSURFMFNGMJ-SNVBAGLBSA-N 197.278 1.019 30 20 ADED C=CCON=CC(C)(C)COC 835013167 KCXVJGKYYFEBFP-UHFFFAOYSA-N 171.240 1.847 30 20 ADED C=CCON=C(C)c1cc[nH]n1 835016378 YRAIOBPJCOJMHU-UHFFFAOYSA-N 165.196 1.336 30 20 ADED C#CCNC(=O)C1=CCC(C)(C)CC1 836233321 DRQSSEBXJUWKGB-UHFFFAOYSA-N 191.274 1.872 30 20 ADED C[C@H]1CC(=NOC[C@H]2CCOC2)CO1 842532036 VQZLMDYTLDUSFF-IUCAKERBSA-N 199.250 1.204 30 20 ADED C=C(CC)CNC(=N)N1CCC1 849037916 FZDBDJLCCQZTLE-UHFFFAOYSA-N 167.256 1.183 30 20 ADED C=C1CN(C(=O)CCn2cccc2)C1 898698478 MZYQCEQRTZZDJD-UHFFFAOYSA-N 190.246 1.277 30 20 ADED N#CCC(=O)N[C@@H]1C[C@H]1c1ccco1 1142123272 NHVNDTATLPXJRX-HTQZYQBOSA-N 190.202 1.165 30 20 ADED C=C(C)CCC(=O)N[C@@H](C)CCO 1337137230 URCGURVHEKIQEJ-VIFPVBQESA-N 185.267 1.230 30 20 ADED C=CCCCCNC(=O)[C@@H]1C[C@H]1F 1354910259 RKIDBZDZDRFVPY-RKDXNWHRSA-N 185.242 1.817 30 20 ADED Cc1cc(NCCF)ncc1C#N 1472773314 RAWYXZAQZAJINL-UHFFFAOYSA-N 179.198 1.643 30 20 ADED N#Cc1ccccc1-c1ncc(O)cn1 1525631754 TYJUNWYKEIMLML-UHFFFAOYSA-N 197.197 1.721 30 20 ADED CC[C@@H](CC#N)NC[C@@H]1CNC[C@H]1C 1577042860 WOBJRZMNFQNZQO-VWYCJHECSA-N 195.310 1.124 30 20 ADED N#Cc1ccc(F)cc1NC1CNC1 1580067300 NXPJEFGLDKRNDE-UHFFFAOYSA-N 191.209 1.081 30 20 ADED CC[C@@H](CC#N)OC(=O)CCC(=O)O 1589463593 FAALIWNQBFUNFN-ZETCQYMHSA-N 199.206 1.087 30 20 ADED C[C@@H](C#N)C(=O)N1CCCCC1 44811780 SHOJKBQOFQUCBX-QMMMGPOBSA-N 166.224 1.159 30 20 ADED C#CC(C)(C)NC(=O)C1CCC1 69680404 YCAUZVRLDFHLLA-UHFFFAOYSA-N 165.236 1.315 30 20 ADED C=CCNC(=O)CC[C@H]1CCCO1 70226182 IFTDSRCQBFYJGD-SECBINFHSA-N 183.251 1.248 30 20 ADED Cc1oc(C)c(C(=O)NO)c1C 82267085 XHJXIVBQIPOQKL-UHFFFAOYSA-N 169.180 1.324 30 20 ADED CN(CCC#N)C[C@@H]1CCCOC1 82545989 BLZPXQUPDINTDQ-JTQLQIEISA-N 182.267 1.258 30 20 ADED C#CCN1CC[C@H]2[C@@H](CCCN2C)C1 88091324 PDQKUMLYKRQZPW-RYUDHWBXSA-N 192.306 1.036 30 20 ADED C=CCCNC(=O)COC(C)(C)C 122836413 HMRQMBFBUSWMSN-UHFFFAOYSA-N 185.267 1.494 30 20 ADED C[C@H]1CC[C@H](NC(=O)C(C)(C)C#N)C1 129190911 UZCBWQYRGPADCZ-IUCAKERBSA-N 194.278 1.841 30 20 ADED CC#CCNc1nccc(C)c1C#N 135527231 MGGRCZKFLGUZRO-UHFFFAOYSA-N 185.230 1.697 30 20 ADED C=CCNC(=O)OCCC 139832949 JJSCHDQIZXCNIL-UHFFFAOYSA-N 143.186 1.309 30 20 ADED C#CC(=O)NCCc1ccc(C)cc1 223957243 IZRXUHIGWGAAFU-UHFFFAOYSA-N 187.242 1.287 30 20 ADED C=CCNC(=O)Nc1nc(C)cs1 243332254 LPNIWFIBPGBQNK-UHFFFAOYSA-N 197.263 1.759 30 20 ADED C#C[C@H](CC)N[C@@H]1CCC[C@H](OC)C1 300398676 MHFWSMVBZYVHCP-UTUOFQBUSA-N 195.306 1.945 30 20 ADED C=C[C@H](NCC1(CCC)CC1)C(=O)O 301051439 UNHPJTFQONIJRN-VIFPVBQESA-N 197.278 1.796 30 20 ADED C=C(C)CN(C)c1ncncc1C#N 306308012 KNFWURYDPWTUBY-UHFFFAOYSA-N 188.234 1.361 30 20 ADED C#CCNc1cccc2c1OCCO2 306371511 OHWKCIVVXDJYKE-UHFFFAOYSA-N 189.214 1.503 30 20 ADED C[C@H](CO)N[C@H]1CCC[C@H](C#N)C1 306432708 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C=C(CC)CNC(=O)COCC 313500583 IPNIVKWMILSMBS-UHFFFAOYSA-N 171.240 1.105 30 20 ADED C=CCC[C@H](CO)N[C@H]1CCO[C@H]1C 320747061 MZRLPNXMBLAGDY-AXFHLTTASA-N 199.294 1.081 30 20 ADED N#CCCN1CCC[C@@H]1[C@H]1CCCO1 334919162 KVSCHMHYJDAPGF-GHMZBOCLSA-N 194.278 1.543 30 20 ADED C=C[C@@](C)(CC)C(=O)N1CC[C@H](O)C1 336446984 IBTFSXZCDWODMX-ONGXEEELSA-N 197.278 1.182 30 20 ADED C=CCCC(=O)N[C@H](C)CC 379239234 VMTWRUPIOPRYOV-MRVPVSSYSA-N 155.241 1.867 30 20 ADED C=C[C@H](CO)N[C@H]1CCC[C@H]1C 379315704 UIMXROMXTFUGAW-BBBLOLIVSA-N 169.268 1.312 30 20 ADED CC[C@@H](C)[C@@H](CNCCCC#N)OC 381352869 FNLGCSGDRDRVQK-GHMZBOCLSA-N 198.310 1.941 30 20 ADED C=C(C)CCN[C@@H]1CCC[C@@H]1CN 386963435 ZPCQJBVTWACKSN-GHMZBOCLSA-N 182.311 1.670 30 20 ADED CC(CCO)=NOCC(C)C 387802198 IYNKZBCXIQFYFD-UHFFFAOYSA-N 159.229 1.417 30 20 ADED CC/C=C\CCN(C)CC#N 388032660 JOWBIDLLVDLUTG-PLNGDYQASA-N 152.241 1.798 30 20 ADED C#CCCCC(=O)OCCCCO 388279825 LNWKJRHSBUGJKL-UHFFFAOYSA-N 184.235 1.106 30 20 ADED C=CCN(C)C(=O)CCCC#CC 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C=C(C)CNC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 529069995 HFAZIQFIUAZIQI-DVVUODLYSA-N 193.290 1.971 30 20 ADED C=C(C)CN(C)C(=O)CSC1CC1 590698330 KKYBDKDGWNEVEC-UHFFFAOYSA-N 199.319 1.917 30 20 ADED C[C@H](CC1CCCC1)C(=O)NCC#N 609622278 UFTYSTYVIKNIRZ-SECBINFHSA-N 194.278 1.843 30 20 ADED CC#CCCCC(=O)NC(C)(C)C#N 613401274 KEWJMNJHBPMSAT-UHFFFAOYSA-N 192.262 1.598 30 20 ADED C=C1CCN(C(=O)[C@@H](C)NCC)CC1 638381264 KUCQOKGELWNYIO-SNVBAGLBSA-N 196.294 1.163 30 20 ADED C=CC[C@@H](C)N[C@H](C)[C@H]1CCCN1 643470549 LKELWBYRKWYOTQ-GMTAPVOTSA-N 182.311 1.681 30 20 ADED C=C[C@@H](O)C(=O)N[C@@H]1CCCC1(C)C 646898914 FIWNXEUCZGLEGP-RKDXNWHRSA-N 197.278 1.228 30 20 ADED C=CCN1CCC(=O)CC12CCC2 653763184 VZWSWIYSMCLRFS-UHFFFAOYSA-N 179.263 1.760 30 20 ADED C=C(CC)CNC(=O)c1cnccn1 654378094 PBKZIYAQLJPBKN-UHFFFAOYSA-N 191.234 1.173 30 20 ADED C=CCC[C@H](C)NCCNC 666779023 YIMKCIKWUIMPFL-VIFPVBQESA-N 156.273 1.150 30 20 ADED C=CCCN(C)C(=O)[C@@](C)(O)C1CC1 672250181 DOPLHWRVAQJCNB-NSHDSACASA-N 197.278 1.182 30 20 ADED COCC#CCN1CCC[C@@H](C)[C@H]1C 677817897 QYVMIRFEQWWWHE-VXGBXAGGSA-N 195.306 1.757 30 20 ADED CCC#C[C@H](C)N1C[C@H](O)C(C)(C)C1 684107728 REFPSOATNAZWDD-QWRGUYRKSA-N 195.306 1.491 30 20 ADED C#CCCCN1CCC(C#C)CC1 692381993 RKTDIFSPDKTZBJ-UHFFFAOYSA-N 175.275 1.745 30 20 ADED C=C(C)CCN1C[C@@H]2C[C@]2(C(=O)O)C1 693297673 MWFCYXVGUYONEI-ONGXEEELSA-N 195.262 1.359 30 20 ADED CC(=O)OCc1ccc(F)cc1C#N 728616940 VVFKGDFEKYOJRW-UHFFFAOYSA-N 193.177 1.760 30 20 ADED N#Cc1cccc(C(=O)OCCF)c1 739316968 BNWJKZFPGMUISP-UHFFFAOYSA-N 193.177 1.685 30 20 ADED C#C[C@H](CC)NC(=O)C1(F)CCCC1 754390062 KACASAQZURAYOJ-SECBINFHSA-N 197.253 1.797 30 20 ADED C/C=C/C=C/C(=O)N=C1C[C@H](C)ON1 777436703 RJPZJZUXSXHDHE-YNAPYJBPSA-N 194.234 1.357 30 20 ADED CC(C)(O)CCOC(=O)CCCC#N 812614361 NESPUPZEORZXMH-UHFFFAOYSA-N 199.250 1.384 30 20 ADED C=CCOC(=O)[C@@H]1CCC[C@H](OC)C1 814558882 UQGCZIPCQGATPG-ZJUUUORDSA-N 198.262 1.921 30 20 ADED C[C@H]1CCC(=NNC2CCOCC2)C1 814868693 DTYBKSPIALJPBT-VIFPVBQESA-N 196.294 1.931 30 20 ADED C[C@]1(COC(=O)CCCC#N)C[C@@H]1F 822152918 XQPQWCGVXITBBM-WCBMZHEXSA-N 199.225 1.972 30 20 ADED C=C[C@@H](CC)CC(=O)N[C@@H](C)COC 829485061 SORINRFZRNJTDY-UWVGGRQHSA-N 199.294 1.740 30 20 ADED CCCCNN=C1CCn2ccnc21 834940517 NXGCVRKINOZWNM-UHFFFAOYSA-N 192.266 1.381 30 20 ADED C#CCNN=C(C)c1occc1C 835007899 JZAQQGDVROYZBX-UHFFFAOYSA-N 176.219 1.535 30 20 ADED C=CCON=Cc1ccc(COC)o1 835013172 KJRFNNJVTPBPCL-UHFFFAOYSA-N 195.218 1.963 30 20 ADED C[C@@H](O)CN(C)N=CC1(C)CC1 841649742 JYDUIGQNPHJQKW-MRVPVSSYSA-N 170.256 1.085 30 20 ADED C[C@H](CO)N(C)N=C1CCC[C@@H]2C[C@H]12 842538699 NSHBABGFBGIZDR-BBBLOLIVSA-N 196.294 1.475 30 20 ADED CC(=NN(C)[C@@H](C)CO)c1ccc[nH]1 842544851 KXOIHOAPJJTNKR-QMMMGPOBSA-N 195.266 1.051 30 20 ADED C#CCOC(=O)C[C@H](C)n1ccnc1 845278944 YBGTUYXSSTXEFM-VIFPVBQESA-N 192.218 1.011 30 20 ADED C#C[C@H](C)N(C)Cc1ccc(C#N)cn1 846880659 XLVRUCYDXZWXMD-JTQLQIEISA-N 199.257 1.407 30 20 ADED C=C[C@@](C)(CC)C(=O)O[C@H]1CNOC1 848058984 XBQGFQXEYYNSOH-WPRPVWTQSA-N 199.250 1.035 30 20 ADED C#C[C@H](CC)NC(=O)N(C)[C@H](C)C#C 854076777 YTQZZXOFGUZZBE-NXEZZACHSA-N 192.262 1.061 30 20 ADED C=CCOCC(=O)OCC(C)(F)F 861225952 XNVTWMUGHPMENZ-UHFFFAOYSA-N 194.177 1.387 30 20 ADED N#CCNC(=O)[C@@H]1C[C@H]1c1ccco1 863896937 MMZZJKNANQYTPY-HTQZYQBOSA-N 190.202 1.023 30 20 ADED CC#CCNC(=O)N1CCC(F)CC1 883541491 JCJHFNJGDNIMHH-UHFFFAOYSA-N 198.241 1.153 30 20 ADED C=C(CC)CNC(=O)N1C[C@H]2C[C@H]2C1 889200047 ZZBJAVJIEQOBTQ-AOOOYVTPSA-N 194.278 1.614 30 20 ADED C=C1CN(C(=O)C[C@@H]2CCCCO2)C1 898698713 PUYJMQSTPIKSHW-JTQLQIEISA-N 195.262 1.344 30 20 ADED C=CC[S@@](=O)Cc1nccs1 905195810 UOOSYSIWMYDUGQ-LLVKDONJSA-N 187.289 1.578 30 20 ADED C=CCCCNC(=O)O[C@@H]1CCOC1 915072394 BMJJHFAULALPCQ-SECBINFHSA-N 199.250 1.468 30 20 ADED CC#CCNC[C@H](O)CCC(C)C 1120491915 FTJDXPNYSIOYIZ-LLVKDONJSA-N 183.295 1.396 30 20 ADED C#Cc1ccc(N2C[C@H]3C[C@H]3C2)nc1 1120958296 NGTPPRGBQBIWTP-PHIMTYICSA-N 184.242 1.519 30 20 ADED C=C(C)CCN1CC[C@@](O)(C2CC2)C1 1256096343 RFDYBUKQRDHHRI-LBPRGKRZSA-N 195.306 1.799 30 20 ADED CCCC[C@@](C)(F)C(=O)OCC#N 1327128987 VIEKSKNPTFQJNI-SECBINFHSA-N 187.214 1.972 30 20 ADED C=C(C)CCC(=O)Nc1[nH]nnc1C 1336023549 FQBDNAHVQKZFEX-UHFFFAOYSA-N 194.238 1.408 30 20 ADED N#CC[C@@H]1CCCN(CCC(=O)O)C1 1605581761 LQBUKGVHQPPXFQ-VIFPVBQESA-N 196.250 1.087 30 20 ADED C=CCNC(=O)c1cccc(Cl)n1 51072733 FULYVHPXQQQOPT-UHFFFAOYSA-N 196.637 1.651 30 20 ADED CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1C 54177994 KFIKFFQIVYVARL-YIZRAAEISA-N 180.251 1.451 30 20 ADED O/N=C/c1c(Cl)nc2ccccn12 57324165 IMRFGXYMDKIJTK-BJMVGYQFSA-N 195.609 1.796 30 20 ADED in-vitro Cc1cn(CCCC#N)nc1N 69760326 YUTWLFWTIWKQDQ-UHFFFAOYSA-N 164.212 1.078 30 20 ADED C=CCCCN1CCC[C@H](C(=O)O)C1 70593004 KQDCPFUGIKUFAE-JTQLQIEISA-N 197.278 1.749 30 20 ADED C=CCCN1[C@@H](C)CNC[C@H]1C 70593346 QHEWGAKYGZRZSB-AOOOYVTPSA-N 168.284 1.245 30 20 ADED CCS(=O)(=O)/N=C(\O)C(C)(C)C 77911222 WUHSKWXCUJXYCE-UHFFFAOYSA-N 193.268 1.339 30 20 ADED N#CC[C@@H](O)c1cc(F)ccc1F 85878712 WUMJPWZOXQBKOF-SECBINFHSA-N 183.157 1.912 30 20 ADED 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ADED C=CCCNC(=O)OCC(F)(F)F 168937164 CZNPOBOGDJFOII-UHFFFAOYSA-N 197.156 1.851 30 20 ADED CC[C@@](C)(OC)C(=O)N(C)[C@H](C)C#N 233967980 LKMUZGMNZSIZNK-PSASIEDQSA-N 198.266 1.172 30 20 ADED N#C[C@H]1CCc2ccccc2[C@H]1N 238660300 QBTICSRULGWPMX-KOLCDFICSA-N 172.231 1.772 30 20 ADED C[C@@H](C#N)CN(C)C[C@H]1CCCO1 251156482 ZBBFDMYASWMIOS-VHSXEESVSA-N 182.267 1.257 30 20 ADED CC(C)[C@@H]1CCCCC1=NNC(=N)N 251363866 WADKBMAKHMFRNN-QMMMGPOBSA-N 196.298 1.672 30 20 ADED C=C[C@H](C)NC(=O)[C@H]1CCO[C@@H]1C 306463211 ASKXNNOCHCQDBZ-YIZRAAEISA-N 183.251 1.102 30 20 ADED C=C[C@@H](C)NC(=O)C(C)(F)F 306463947 MIHDULWWUNDOLM-RXMQYKEDSA-N 163.167 1.332 30 20 ADED CC1(C#N)CN(Cc2ccon2)C1 306616743 PGWWEYMYEJOLDG-UHFFFAOYSA-N 177.207 1.020 30 20 ADED C=CCCN1CC[C@@H]2CNC[C@H]2C1 306820584 NENOHWDLYCFIBT-MNOVXSKESA-N 180.295 1.104 30 20 ADED C#C[C@](C)(CC)NC(=O)c1ccc[nH]1 306844565 HKAZYZCSVMVARG-LLVKDONJSA-N 190.246 1.546 30 20 ADED C[C@]1([C@H]2C[C@H]3CC[C@H]2O3)O[C@@H]1C#N 306993886 LZHCHDGXRDPLQA-JDDHQFAOSA-N 179.219 1.235 30 20 ADED C=CCNC(=O)C12CCC(CC1)C2 307141481 IULDWRGDQWSMDU-UHFFFAOYSA-N 179.263 1.869 30 20 ADED C=C[C@@H](C)NC(=O)[C@@H](C)CC 307566799 OWYYSZIPVVSSQQ-JGVFFNPUSA-N 155.241 1.723 30 20 ADED C=CCCN(C)CC(F)F 307583553 ZAKMTDMCLRZSCN-UHFFFAOYSA-N 149.184 1.759 30 20 ADED CSCC[C@@]1(C=O)CCOC1 307736391 AMEDQNIICZQPHA-MRVPVSSYSA-N 174.265 1.345 30 20 ADED CCC(C=NN[C@@H](C)CO)CC 307992516 UJVJHVRTZBWPMZ-QMMMGPOBSA-N 172.272 1.379 30 20 ADED C#CCCCC(=O)N(CC)C1CC1 308219799 KRVVORXWNOFUIO-UHFFFAOYSA-N 179.263 1.801 30 20 ADED C=CCCC(=O)NC[C@H]1CCCS1 308324810 DXKAPZZXACROAQ-SECBINFHSA-N 199.319 1.964 30 20 ADED C#C[C@@H](C)NC(=O)CC(CC)CC 308407657 KIRNHQJPHYUKBL-SECBINFHSA-N 181.279 1.951 30 20 ADED N#Cc1cc(=O)n(C2CCCC2)cn1 335359540 KFUADKSWTSAFTI-UHFFFAOYSA-N 189.218 1.230 30 20 ADED C=C(C)CN(C)C(=O)[C@]1(C#N)C[C@H]1C 336187702 PPHXIIWYXDUHSG-KOLCDFICSA-N 192.262 1.571 30 20 ADED CC[C@]1(C)COCCN1CCC#N 336354193 ULFAXHGCGBUVQZ-SNVBAGLBSA-N 182.267 1.401 30 20 ADED OCCNN=C1CC[C@H]1C1CCC1 378858334 MNBGUXPRIKOMBN-VIFPVBQESA-N 182.267 1.134 30 20 ADED C=CC[C@H](C)N[C@@H]1CCn2ccnc21 382221300 AMWUKNAPEZBAGV-VHSXEESVSA-N 191.278 1.882 30 20 ADED CCn1nnnc1SCCCC#N 388899983 NEUVKXXNOFGVIV-UHFFFAOYSA-N 197.267 1.089 30 20 ADED COCCCCN[C@@H]1CC[C@@H](C#N)C1 389299868 LRRMNTHCSBXQEV-GHMZBOCLSA-N 196.294 1.695 30 20 ADED C#CCN1CC(C)(C)OC[C@H]1CC 403895497 PYTOCRVGYHYZAM-SNVBAGLBSA-N 181.279 1.509 30 20 ADED C=C(C)CCNCc1cn(CC)nn1 404505691 LSKWFIWDPWHWHH-UHFFFAOYSA-N 194.282 1.354 30 20 ADED C[C@@H]1CCN(CCCC#N)C[C@@H]1CO 598645841 MZSXJXBTILUYGS-GHMZBOCLSA-N 196.294 1.240 30 20 ADED COCCN(CCC#N)CC(C)(C)C 609487607 NIQUEUGTHFPUHE-UHFFFAOYSA-N 198.310 1.895 30 20 ADED C[C@@H]1CCN(CCC#N)[C@@H]([C@@H](C)O)C1 615468595 GDCSTAXHPFHBOD-GMTAPVOTSA-N 196.294 1.381 30 20 ADED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CC 620566095 HNSZURJTYBQMRW-UWVGGRQHSA-N 199.294 1.882 30 20 ADED C=CC[C@@H](C)[C@H](C)NCC[C@H](C)N 622045571 AYRGMGPJKBNGSU-VWYCJHECSA-N 184.327 1.914 30 20 ADED C=CCC[C@H](NC[C@H](C)N)C1CC1 643528940 RCONZXQLMFDHBD-ONGXEEELSA-N 182.311 1.668 30 20 ADED C=CCOCCN(C)C[C@@H]1CCOC1 645091058 KWPDHMPZVFGTNB-NSHDSACASA-N 199.294 1.157 30 20 ADED C=CCCCNC(=O)c1ccsn1 649841359 LGQVICBZHFTQHT-UHFFFAOYSA-N 196.275 1.839 30 20 ADED C=C1CCN([C@H]2CCCOC2)CC1 674302266 KYWIJPLPAJZEEQ-NSHDSACASA-N 181.279 1.817 30 20 ADED CC#CCCNC(=O)[C@@](C)(O)CCC 680457472 VKFREWUGVZSYJF-NSHDSACASA-N 197.278 1.067 30 20 ADED C=CCN(C)Cc1nc(C2CC2)no1 681696844 UOCKWEMNPKTYGV-UHFFFAOYSA-N 193.250 1.565 30 20 ADED CCN(CCOC1CC1)C[C@@H](C)C#N 711742171 MKDSSHOHHIYRML-JTQLQIEISA-N 196.294 1.647 30 20 ADED N#CC1(NC(=O)C=C2CCC2)CCC1 755237363 DGOBZHSXMVCGMX-UHFFFAOYSA-N 190.246 1.659 30 20 ADED C/C=C/C=C\C(=O)OCC#CCOC 762770463 HSGMDUFOXAQJPF-LHOHZTISSA-N 194.230 1.312 30 20 ADED C#CCCCOC(=O)[C@@H](OC)C(C)C 770638376 ZIFDVDBGIDKSJQ-JTQLQIEISA-N 198.262 1.614 30 20 ADED O=C(NO)C1(Cc2ccccc2)CC1 782173028 HLSZGJHDTLTZSS-UHFFFAOYSA-N 191.230 1.515 30 20 ADED C=CCCOC(=O)c1cc(C)ncn1 786104922 MXEIBPRDOVCNRS-UHFFFAOYSA-N 192.218 1.518 30 20 ADED Cn1ccnc1NN=Cc1cc[nH]c1 790302999 OXZAVALHGOAZDN-UHFFFAOYSA-N 189.222 1.194 30 20 ADED C#CCN(C)c1cc(C)nc(CC)n1 804648746 KIZZTRKEDWBWCO-UHFFFAOYSA-N 189.262 1.417 30 20 ADED C[C@H](N(C)C[C@H](O)CC#N)C1(C)CC1 809576489 AWBHCXGSECRKTK-VHSXEESVSA-N 196.294 1.381 30 20 ADED C#CCN(C)[C@@H]1CCN(C(C)C)C1 832778648 NATIBNDDKAEVKG-LLVKDONJSA-N 180.295 1.034 30 20 ADED C=CCONC(=O)N[C@H]1CCC[C@@H]1C 838707745 ONDQQTPZGAGCJH-IUCAKERBSA-N 198.266 1.592 30 20 ADED CC[C@H](C)C=NN1CCC[C@@H]1CO 841658739 BGXDQMDIHKIFRL-VHSXEESVSA-N 184.283 1.475 30 20 ADED CCO[C@@H](CC)C(=O)O[C@H](C#N)CC 842319440 MMTUANNIMVRMSJ-IUCAKERBSA-N 199.250 1.647 30 20 ADED C[C@@H](CCC#N)N[C@H](CCO)C1CC1 844320032 YZOWNSCXJSDSOS-GXSJLCMTSA-N 196.294 1.429 30 20 ADED COC/C(C)=C\C(=O)OC[C@@H](C)C#N 845494444 ROCIDBHEZQWFGW-OTOXVQDCSA-N 197.234 1.282 30 20 ADED C#C[C@@H](CCC)NC(=N)NCC(=C)C 849022086 ZENQPQRTCCKPJJ-JTQLQIEISA-N 193.294 1.478 30 20 ADED C#C[C@H](C)NC(=O)N[C@@H](CC)C1CC1 852263151 QRKSEOAOIKPLFR-WPRPVWTQSA-N 194.278 1.496 30 20 ADED C=CCCONC(=O)c1ccc(C)o1 856028334 GPEMEKCJRGNNMO-UHFFFAOYSA-N 195.218 1.826 30 20 ADED C=CCCONC(=O)[C@@H]1CC=CCC1 856029364 KPWRJZZNPISOPF-SNVBAGLBSA-N 195.262 1.967 30 20 ADED F[C@@H]1CCCC1=Nn1cnnc1 872324286 OVFCNRMULUABCM-ZCFIWIBFSA-N 168.175 1.004 30 20 ADED COC1(C(C)=NN2CCC2)CCC1 872399262 ZFPSMUVSDBUYRK-UHFFFAOYSA-N 182.267 1.637 30 20 ADED C=CC(C)(C)CC(=O)N1CC[C@H](N)C1 884020182 PMAOQHFNSOKLQM-VIFPVBQESA-N 196.294 1.148 30 20 ADED C=C1CN(C(=O)C(C)(C)C(=C)C)C1 898703150 KJQFSPBBPCESKX-UHFFFAOYSA-N 179.263 1.987 30 20 ADED C=C1CN(C(=O)CCC2(O)CCC2)C1 912445172 GSHYEXPATNTSHS-UHFFFAOYSA-N 195.262 1.080 30 20 ADED C#CCN(CCC(=O)CC)C(C)C 932388510 MKTHSLLHZPBQTD-UHFFFAOYSA-N 181.279 1.699 30 20 ADED C=C[C@H](CC)CC(=O)NC[C@H](C)C#N 932471567 IBDHYTIYYQTXMO-NXEZZACHSA-N 194.278 1.865 30 20 ADED C#CCNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 1261788186 OJPFBGTZWRQPEI-JBLDHEPKSA-N 191.274 1.562 30 20 ADED C#CCCNC(=O)CCC(=C)C 1357914515 ZARIGJIQYSTEFV-UHFFFAOYSA-N 165.236 1.482 30 20 ADED C[C@@H](CC#N)NC1CCC(CN)CC1 1575916488 YYSKCJWPCLSJJQ-WHXUTIOJSA-N 195.310 1.396 30 20 ADED CCC#CCOC(=O)C(C)(C)C(=O)O 1603485999 QOSBFDFWKLDZBK-UHFFFAOYSA-N 198.218 1.054 30 20 ADED CN(CCC#N)C[C@H]1CCCCO1 35151018 YGUTYVWRGKULQL-SNVBAGLBSA-N 182.267 1.401 30 20 ADED CCCOc1ccc(C(=O)NO)cc1 38523690 DBWLKJUTMUSWRV-UHFFFAOYSA-N 195.218 1.594 30 20 ADED C=CCN(CC)C[C@H](C)C#N 42323740 NDQXITMMVCPJMY-SECBINFHSA-N 152.241 1.654 30 20 ADED N#CC1CCN(C/C=C/Cl)CC1 70212654 ZVDYEWSQNUMURR-DAFODLJHSA-N 184.670 1.974 30 20 ADED COc1ccc(C=O)c(F)c1C#N 75927049 ZSLZBRDYHGUMKG-UHFFFAOYSA-N 179.150 1.518 30 20 ADED N#Cc1ccc2c(Cl)ncnn12 113653003 XEZYQDQRLVLVIW-UHFFFAOYSA-N 178.582 1.254 30 20 ADED C[C@H](CC#N)NC(=O)C1[C@H]2CCC[C@H]12 123407584 SQVXBHGEQHVDGZ-VGMNWLOBSA-N 192.262 1.451 30 20 ADED C=C[C@H](C)NCc1ccncc1 130476751 IHXNNLJYDQKDMQ-VIFPVBQESA-N 162.236 1.746 30 20 ADED O=Cc1cccc(C#CCCO)c1 150166418 JBEPNQLBFSUTCM-UHFFFAOYSA-N 174.199 1.233 30 20 ADED C#CCCCN[C@@H]1CCN(C)[C@H](C)C1 160873158 ZMXQOTADFHNGEC-VXGBXAGGSA-N 194.322 1.472 30 20 ADED C#CCCCN(C)CCC(=O)OCC 161114468 YYGAQRCCTJTWIJ-UHFFFAOYSA-N 197.278 1.285 30 20 ADED CC(C)CCn1cnc(C#N)c1C#N 164684819 MNKIKUCTRBWIPR-UHFFFAOYSA-N 188.234 1.673 30 20 ADED C=C(C)CNC(=O)C1(C#N)CC(C)C1 167603909 ZVQKORIQUMOKLT-UHFFFAOYSA-N 192.262 1.619 30 20 ADED CN(CC#N)C(=O)CCC(C)(C)C 200434219 YLNBOWHSDKIQTN-UHFFFAOYSA-N 182.267 1.795 30 20 ADED C=CCN(CC=C)[C@H](CCC)C(=O)O 216614868 VDONFWDSJHTOJS-SNVBAGLBSA-N 197.278 1.914 30 20 ADED C=CCN1CCC[C@H](C)[C@@H]1CN 226344873 RXQMKFFLTAOPFY-UWVGGRQHSA-N 168.284 1.232 30 20 ADED CO[C@@H](C)CN(C)[C@@H](C)CC#N 227983353 PGCPNHVMCGHURY-IUCAKERBSA-N 170.256 1.255 30 20 ADED C#CCCCNC(=O)[C@@H](C)CCC 231573031 JUPVPSXBPSQBDV-JTQLQIEISA-N 181.279 1.952 30 20 ADED C#CCNC(=O)c1ccoc1Cl 236039120 XOXQPSDHCUCXIH-UHFFFAOYSA-N 183.594 1.296 30 20 ADED C=C(C)CN1CCC[C@@H](O)CC1 306269104 LMQODSXYNJEICS-SNVBAGLBSA-N 169.268 1.409 30 20 ADED O=CC1(C[C@H]2CCCO2)CCC1 306354442 HFRZAUQZNPBWMK-SECBINFHSA-N 168.236 1.925 30 20 ADED C=C[C@H](C)NC(=O)NC1CC(C)C1 306360824 NIWJRXJLZQIAGF-MGURRDGZSA-N 182.267 1.659 30 20 ADED C=C(C)CCNc1ncccn1 306840380 ZSLHLUHVFNYYHN-UHFFFAOYSA-N 163.224 1.855 30 20 ADED C#C[C@H](C)N(C)C(=O)c1ccoc1 307500083 UDTHLFPUFMORJJ-QMMMGPOBSA-N 177.203 1.373 30 20 ADED C#CCN1CC(C)(C)OC[C@@H]1C 307759658 SOFFEPLBCCLQQX-VIFPVBQESA-N 167.252 1.119 30 20 ADED COCCON=CC1(SC)CC1 308007793 IQSQEXAEKUOIFD-UHFFFAOYSA-N 189.280 1.531 30 20 ADED C=C[C@@H](N[C@@H]1CCC1(C)C)C(=O)O 308124937 ADPAHXHMLIIHIN-HTQZYQBOSA-N 183.251 1.404 30 20 ADED CC(=NNCC(C)C)[C@H]1CCOC1 308130943 AVHSBAJSSKBEJR-JTQLQIEISA-N 184.283 1.644 30 20 ADED CCON=C(C)C[C@H]1CCC(=O)N1 308202700 ZTWRFHAHKAXLGO-MRVPVSSYSA-N 184.239 1.068 30 20 ADED CCCCNN=Cc1snnc1C 308208486 DXIUFKMODUWDAN-UHFFFAOYSA-N 198.295 1.570 30 20 ADED C=C(C)CN[C@@H]1CCC[C@H]1CCO 308263279 NVEMYHZJGZYOKD-WDEREUQCSA-N 183.295 1.703 30 20 ADED CCc1nc([C@H](C)NCC#N)cs1 308475284 LRNUYHHXHWAEEZ-ZETCQYMHSA-N 195.291 1.880 30 20 ADED C#CCN[C@H](C)c1ccncc1CC 308607471 PUUXBPFFPFPROD-SNVBAGLBSA-N 188.274 1.928 30 20 ADED C=C(CC)CN[C@@H]1CCCNC(=O)C1 313486748 WLOGIHMVKWHCST-SNVBAGLBSA-N 196.294 1.211 30 20 ADED C=CCC[C@H](CO)NC(=O)C1(C)CC1 320710270 GVFNSKPWFCVHMG-SECBINFHSA-N 197.278 1.230 30 20 ADED C=CCN1CCC[C@H](N2CCCC2)C1 334372225 YFGSEXPJCNBYKJ-LBPRGKRZSA-N 194.322 1.733 30 20 ADED C=CCCC(=O)N1CCCCO1 335569628 XFPGQSDKQBGKLD-UHFFFAOYSA-N 169.224 1.507 30 20 ADED CC(C)N(C)Cc1cc(C#N)n(C)c1 336090469 XLCYRXRCDQMBIY-UHFFFAOYSA-N 191.278 1.737 30 20 ADED C=C[C@@](C)(CC)C(=O)N[C@@H](C)C#N 379359727 ZQDCPYDOGJZLDS-WPRPVWTQSA-N 180.251 1.617 30 20 ADED C#CCCCNC(=O)[C@@H](F)C(C)C 379380639 CFKWHONFKMXJGD-VIFPVBQESA-N 185.242 1.510 30 20 ADED C=CCCCn1cc(CCO)cn1 379382040 HXFRJZCCWKCHCR-UHFFFAOYSA-N 180.251 1.384 30 20 ADED C=CCCCC(=O)NCCCC#N 379407795 ZOYWSDZFTMITBT-UHFFFAOYSA-N 180.251 1.763 30 20 ADED 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CC#CCN(CC)Cc1ccccn1 674698977 JQYCALKAGKHUDJ-UHFFFAOYSA-N 188.274 1.927 30 20 ADED C=CCNC(=O)CN1CC[C@@H](CC)C1 674868758 NJOQLNBKTBCMNJ-SNVBAGLBSA-N 196.294 1.021 30 20 ADED C#C[C@@H](C)NC(=O)C(F)(F)CC 692314694 VOHGAVUXXWBQAQ-ZCFIWIBFSA-N 175.178 1.170 30 20 ADED C[C@@H](CN(C)[C@H](C)CCC#N)C(=O)O 695715583 FSTACJLWQFQHOU-DTWKUNHWSA-N 198.266 1.331 30 20 ADED N#CCOC(=O)CC[C@H]1CCCCO1 732380031 NMNVLPIXVMZCCG-SECBINFHSA-N 197.234 1.402 30 20 ADED C#CCNC(=O)N1C[C@H](C)CC1(C)C 746743405 KHUWNQFAEWGLPG-SECBINFHSA-N 194.278 1.450 30 20 ADED C#CCOC(=O)[C@H](F)c1ccccc1 769158896 LGNDRIYGYHQJOM-SNVBAGLBSA-N 192.189 1.874 30 20 ADED COC[C@H](C)NN=Cc1ccccn1 777895058 SMTQQGVPGBPAAI-VIFPVBQESA-N 193.250 1.040 30 20 ADED C#CCCCOC(=O)COC(C)(C)C 778152119 JHRKHJXKSRDBOB-UHFFFAOYSA-N 198.262 1.758 30 20 ADED C=CCN(C)[C@H](C)C(=O)OCCCC 778167706 NTFQPORXLNFBLN-SNVBAGLBSA-N 199.294 1.836 30 20 ADED CC(=NN[C@H]1CCOC1)c1ccoc1 788440968 ZAGWPYXCFIQWCY-JTQLQIEISA-N 194.234 1.382 30 20 ADED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)OC 798036781 PMDSXRPWOGDANP-BDAKNGLRSA-N 199.250 1.324 30 20 ADED C#CCON=C(C)c1ccc(F)cn1 812234212 VEGQJEJEZBSKMO-UHFFFAOYSA-N 192.193 1.595 30 20 ADED CCCCCC=Nn1ccnn1 835011292 LGXRWRNLDXPUJE-UHFFFAOYSA-N 166.228 1.692 30 20 ADED C=CC(C)(C)CNC(=O)NOCC 836196085 XJMDZZFTCPPDLP-UHFFFAOYSA-N 186.255 1.449 30 20 ADED CC#CC(=O)N[C@@H]1CCC[C@H]1OCC 837136297 ITVVTDVRERFRJY-NXEZZACHSA-N 195.262 1.084 30 20 ADED CC(=O)[C@H](C)OC(=O)C#CC(C)(C)C 838377885 SRJZMIHMUHLBDA-VIFPVBQESA-N 196.246 1.557 30 20 ADED C#CCN(C)C(=O)NCC(=C)CC 838721191 UQVATQDOAQGGEU-UHFFFAOYSA-N 180.251 1.227 30 20 ADED C#C[C@H](C)N(C)Cc1ccnc(N)c1 839583152 CBYYCEFLFAZMLX-VIFPVBQESA-N 189.262 1.117 30 20 ADED CC(CC1CC1)=NN(C)[C@@H](C)CO 842542244 XWMDJCGPRFVIRP-VIFPVBQESA-N 184.283 1.475 30 20 ADED C=C[C@H](C)ONC(=O)N1CC=CCC1 845623626 IXMGHBAUBGNRIY-VIFPVBQESA-N 196.250 1.464 30 20 ADED C=CCONC(=O)Cc1occc1C 854852306 MFJDFZVYICIKGG-UHFFFAOYSA-N 195.218 1.364 30 20 ADED C#CCCOC(=O)N(C)CC(F)F 858944507 OFJPFLRGLYYOPA-UHFFFAOYSA-N 191.177 1.343 30 20 ADED CCN1CCC(=NN2CCC2)[C@@H](C)C1 872396398 GNUGKKKXWNFROC-JTQLQIEISA-N 195.310 1.410 30 20 ADED C[C@H](CC#N)NCCCCCCCO 878817630 WMFQZOUSDZARAA-LLVKDONJSA-N 198.310 1.821 30 20 ADED C=C/C=C/CCNC(=O)[C@](C)(O)C=C 881568900 CNQYHIPFLYOOOQ-XUIVZRPNSA-N 195.262 1.172 30 20 ADED CC(=O)C(C)=NOCc1ccccn1 902761003 RYPCMVHGDGXSTN-UHFFFAOYSA-N 192.218 1.563 30 20 ADED C=CCCN[C@@H]1CCNC1(C)C 925711276 ZERYYZJYCSMXIA-SECBINFHSA-N 168.284 1.293 30 20 ADED C=CCCN[C@H]1CCNC1(C)C 925711278 ZERYYZJYCSMXIA-VIFPVBQESA-N 168.284 1.293 30 20 ADED CC#CCN(C)Cc1cnc(CC)o1 930590672 WIQOSXUJWLGAGB-UHFFFAOYSA-N 192.262 1.692 30 20 ADED C=CC(C)(C)CNC(=O)c1ccon1 1324625366 IHVVBUUMESJLJG-UHFFFAOYSA-N 194.234 1.617 30 20 ADED C#CCCNC(=O)C(=C)CC 1347658836 BLJNQKSGTUYZAU-UHFFFAOYSA-N 151.209 1.092 30 20 ADED CC[C@@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1467293282 MHQVJFRRZLVEJO-LPEHRKFASA-N 194.278 1.793 30 20 ADED C[C@@H]1CCN(CC#N)[C@H](C)C1 51731795 VMLBHKCMIYLZMO-RKDXNWHRSA-N 152.241 1.630 30 20 ADED CC[C@H](C)CN[C@H](C)CC#N 54471491 ATNGFSWASUHQHN-DTWKUNHWSA-N 154.257 1.924 30 20 ADED C[C@H]1CN(C(=O)CC#N)C[C@@H]1C 86014403 MUVAKPRRIVKRHI-YUMQZZPRSA-N 166.224 1.014 30 20 ADED Cc1noc(C)c1[C@H](C)NCCC#N 86110358 ICQCQGLMDIRSFU-ZETCQYMHSA-N 193.250 1.856 30 20 ADED C[C@@H](C#N)SC1COC1 86195196 MEEFYCCNPQGLLG-YFKPBYRVSA-N 143.211 1.030 30 20 ADED CCOC(=O)[C@@H]1CC(=O)C=C1CC 88347230 GQHRSNRVVLRLLN-SECBINFHSA-N 182.219 1.475 30 20 ADED C=C(Cl)CNC(=O)c1ccccn1 124646527 QSMPGGKTEHEUKL-UHFFFAOYSA-N 196.637 1.564 30 20 ADED CCC[C@H](C#N)NC(=O)[C@@H](C)C1CC1 148014750 ZSFRWRVPHDGTEH-WCBMZHEXSA-N 194.278 1.841 30 20 ADED C=C(C)CNC(=O)[C@@H]1CCO[C@@H]1C 160662854 MTSRZFRQBBFJHX-RKDXNWHRSA-N 183.251 1.104 30 20 ADED C#C[C@H](C)NC(=O)N1CCC(C)CC1 165481885 FVRHMSXOCDWXLR-JTQLQIEISA-N 194.278 1.450 30 20 ADED CN1C(=O)[C@@H](C#N)c2ccccc21 196199722 WKCMLGITDSVTIL-QMMMGPOBSA-N 172.187 1.270 30 20 ADED C=CCCN[C@H]1C[C@@H](OCC)[C@@H]1OC 231827869 LLBFIQKUUVUGAS-HBNTYKKESA-N 199.294 1.345 30 20 ADED C#C[C@H](CC)NC(=O)c1cc(C)no1 234055819 YDYGUZFACBUDDG-MRVPVSSYSA-N 192.218 1.125 30 20 ADED C=C(C)CN[C@@H]1C[C@H](OC)C1(C)C 234775606 NYDDVBNVRRFXNQ-ZJUUUORDSA-N 183.295 1.966 30 20 ADED COC(=O)[C@H](C#N)C1CCC1 252572441 ZIOJHBFQKUQTTA-SSDOTTSWSA-N 153.181 1.099 30 20 ADED in-vitro C=CCN1CC[C@@H](C(=O)O)C[C@H]1C 300213113 LVULWBXTQZYNTP-RKDXNWHRSA-N 183.251 1.358 30 20 ADED C=C(Cl)CN1C[C@H]2C[C@@]2(CO)C1 306168282 XQQLRILAGNSKHC-BDAKNGLRSA-N 187.670 1.053 30 20 ADED C#CCCN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 306223864 ZYCDEPZKCOPKPE-WUHRBBMRSA-N 189.302 1.988 30 20 ADED C#C[C@H](C)N(C)c1ncc(F)cn1 306718086 WFFNNPUOBGZFGA-ZETCQYMHSA-N 179.198 1.074 30 20 ADED C#C[C@H](C)NC(=O)CSCCC 307977481 MJEUDIKGFXVAEN-QMMMGPOBSA-N 185.292 1.268 30 20 ADED C=CCCN[C@@H](CO)C1CCCC1 308189069 LYYZSLPCVXNMHH-NSHDSACASA-N 183.295 1.703 30 20 ADED C#C[C@@H](C)NC(=O)N(CC)C(C)C 308243656 TWNXEOBQGNZTDR-SECBINFHSA-N 182.267 1.448 30 20 ADED C=C(C)COC(=O)[C@H]1CO[C@H](C)C1 308262653 OCVYBWREMLSKLL-RKDXNWHRSA-N 184.235 1.531 30 20 ADED CCCC1(C(=O)NC[C@H](C)C#N)CC1 308535078 LYURXUHGOWTVSY-SECBINFHSA-N 194.278 1.843 30 20 ADED C=C[C@@H]1CCCCN1c1nnc(C)o1 334236989 IOCHVVJTNVSWCW-SECBINFHSA-N 193.250 1.923 30 20 ADED C=C1CCN(C(=O)CCCC#N)CC1 334390914 UKVPOYDGPSVDDR-UHFFFAOYSA-N 192.262 1.859 30 20 ADED CC[C@@H](C#N)NC(=O)[C@@H]1CC=CCC1 336074381 DMZXKSYGTGWGKG-ZJUUUORDSA-N 192.262 1.761 30 20 ADED C=C(C)CN1[C@@H](C)CN(CC)C[C@H]1C 336397746 WQBWBIQMYQEIPI-TXEJJXNPSA-N 196.338 1.977 30 20 ADED CCON=C(C)c1cc[nH]n1 378772600 CWUCZPOVAXWAIQ-UHFFFAOYSA-N 153.185 1.170 30 20 ADED C=CCN(C(=O)C#CC)C(C)C 379319575 RESQVMFGHPUQOE-UHFFFAOYSA-N 165.236 1.433 30 20 ADED C=CCN(C)C(=O)CCCOC 379334295 OAHVHRNJTMJGRB-UHFFFAOYSA-N 171.240 1.057 30 20 ADED C#CCNC(=O)[C@@H](C)SCCC=C 379359600 ZDWLWBBXFHCEGL-SECBINFHSA-N 197.303 1.434 30 20 ADED N#CC1(C(=O)NCCCF)CCCC1 379508555 OVQQAPABNALWLR-UHFFFAOYSA-N 198.241 1.546 30 20 ADED C#CCCCNC[C@H](OC)C1CC1 382095818 DQFHHZYALDGQGI-NSHDSACASA-N 181.279 1.414 30 20 ADED CCCNN=Cc1c[nH]c(C(=O)O)c1 382212641 HKPMAKRORBMLDM-UHFFFAOYSA-N 195.222 1.046 30 20 ADED C=CCCNC(=O)C(C)(C)OCC 384148993 SPPQWFUGPOLXHP-UHFFFAOYSA-N 185.267 1.494 30 20 ADED C=C(C)CCNC(=N)NC(C)(C)C 386738688 XPRVFYHVZKFKIJ-UHFFFAOYSA-N 183.299 1.865 30 20 ADED C=C(C)CCN[C@@H]1CO[C@H](C)C1 401850275 WIMNQWCXQPFMKN-ZJUUUORDSA-N 169.268 1.720 30 20 ADED CC[C@H](C)[C@H]1C[C@@H]1C=O 521400217 GQRLKXVGUSVAJO-XLPZGREQSA-N 126.199 1.868 30 20 ADED COCC#Cc1ccc(F)cc1C=O 585145317 MSQKOSVKHSRMGZ-UHFFFAOYSA-N 192.189 1.636 30 20 ADED CCC(C)(C)CC(=O)N1CC(C#N)C1 590488530 RIWDWARWARXRIZ-UHFFFAOYSA-N 194.278 1.795 30 20 ADED CN(CCC#N)[C@H](CO)CC(C)(C)C 591039574 BXPYBHIDFALZPA-JTQLQIEISA-N 198.310 1.629 30 20 ADED CCSCCN(CC#N)C1CC1 610212968 MBPLGJOMIZNLPX-UHFFFAOYSA-N 184.308 1.727 30 20 ADED CCCN(C)CCCSCC#N 610409671 LJKBSYSKHULMOO-UHFFFAOYSA-N 186.324 1.975 30 20 ADED CCOCC(=O)N[C@@H](C#N)C(C)(C)C 610550582 BZHRLRPKAROSNF-QMMMGPOBSA-N 198.266 1.077 30 20 ADED CC[C@H](C)CC(=O)NC1(C#N)CCC1 616270758 GNUBCUNXPDVANH-VIFPVBQESA-N 194.278 1.985 30 20 ADED C=CCCNC(=O)c1ccn(C)c1 617617148 XNDAPPFSISYWTI-UHFFFAOYSA-N 178.235 1.331 30 20 ADED C=CCCCN[C@H](C)C[C@@H](C)N 643486388 LFVDIAOSEJJKLU-NXEZZACHSA-N 170.300 1.668 30 20 ADED C=C[C@H](C)NC(=O)[C@@H](C(=O)O)C(C)C 649455823 FGMGVQPXOSPMAB-YUMQZZPRSA-N 199.250 1.034 30 20 ADED C=CCN1c2ccccc2C[C@H]1CO 661368988 JHCKZRJKEKMLNB-NSHDSACASA-N 189.258 1.596 30 20 ADED C=CCN(C)Cc1cncc(OC)c1 676505454 ZTPBWBHYLFMGIU-UHFFFAOYSA-N 192.262 1.708 30 20 ADED C=CCN(Cc1c[nH]nc1C)C1CC1 680481313 FGTNWRGZSUGXAQ-UHFFFAOYSA-N 191.278 1.869 30 20 ADED C=CCCN(C)C(=O)[C@H](CC)N(C)C 682548617 YJFQFJADEDQGLK-JTQLQIEISA-N 198.310 1.361 30 20 ADED C=C[C@H](CO)NCCc1cccs1 717459116 MEPUVANYRPPFEF-SECBINFHSA-N 197.303 1.427 30 20 ADED C#C[C@H](C)N(C)c1cc(CC)ncn1 767439562 JZFPBSBERKERLM-VIFPVBQESA-N 189.262 1.497 30 20 ADED CON=CC(=O)N[C@H]1CCCC1(C)C 774427749 CKRXAKGOWBCDBW-QMMMGPOBSA-N 198.266 1.314 30 20 ADED C#CCCCNC(=O)[C@@H]1CC[C@H](C)C1 776331805 QHSDQQZCJZBPGN-WDEREUQCSA-N 193.290 1.952 30 20 ADED C#CCCOC(=O)C[C@@H]1CCCOC1 795920743 YQWBYMHDPNXRFL-JTQLQIEISA-N 196.246 1.370 30 20 ADED C#CCON=C1C[C@@H](OCC)C1(C)C 812236290 KNKOKLZIJWPIFP-SNVBAGLBSA-N 195.262 1.827 30 20 ADED C=C[C@H](C)NC(=O)[C@](C)(O)C1CCC1 813477881 PRHPSRWTTFFDBX-GZMMTYOYSA-N 197.278 1.228 30 20 ADED C=CCCOCC(=O)NOCC1CC1 817349889 LFEPATNTWVXUFI-UHFFFAOYSA-N 199.250 1.037 30 20 ADED C#CCN(CC)C(=O)C1CC2(CC2)C1 823414170 BOXLVPBCHVZKCN-UHFFFAOYSA-N 191.274 1.658 30 20 ADED C[C@H](O)CN(C)N=C[C@@H]1CC=CCC1 841654657 ULUAUIIONDFPDL-WDEREUQCSA-N 196.294 1.641 30 20 ADED C=CCSC[C@@H](C)S(C)(=O)=O 842173307 PSJOHWXSJDMIKH-SSDOTTSWSA-N 194.321 1.339 30 20 ADED C#C[C@H](C)NC(=O)/C=C/C1CCCC1 843604516 NBDHMPGRWBAYHT-DDXVTDLHSA-N 191.274 1.871 30 20 ADED C=C(C)CONC(=O)NCCC#CC 845605548 NRSNUCHECGEDJX-UHFFFAOYSA-N 196.250 1.207 30 20 ADED C=C[C@H](C)ONC(=O)[C@H](C)SC 846548932 HVRCBSUCVNEFGC-BQBZGAKWSA-N 189.280 1.360 30 20 ADED CCCCOC(=O)C(C)(C)NCC#N 847059215 DHVNPMXFWBAAEH-UHFFFAOYSA-N 198.266 1.221 30 20 ADED C=CCNC(=N)NCc1ccoc1C 848997322 YGYWZDNHRVHWJR-UHFFFAOYSA-N 193.250 1.388 30 20 ADED CC(=O)O[C@@H](C)CC(C)(C)C#N 851213752 URUXVBDGBYSYMT-ZETCQYMHSA-N 169.224 1.878 30 20 ADED C#CCOCCN(C(C)C)C1CCC1 851848038 JIDDKTMTJGHTEJ-UHFFFAOYSA-N 195.306 1.899 30 20 ADED COCCON=C[C@@H](OC)C1CC1 853313965 IJGGTQIYLJYGGV-SECBINFHSA-N 187.239 1.060 30 20 ADED CCCON=C[C@@H](OC)C1CC1 853369100 SVGSJHJGQCLMOU-SECBINFHSA-N 171.240 1.824 30 20 ADED C(=NOCC1CCC1)c1cc[nH]n1 853439732 PLXHCFAHTNUANP-UHFFFAOYSA-N 179.223 1.560 30 20 ADED CC[C@@H](C)NC(=O)C#CC(C)C 854118851 KQYWBINKDOZARR-SECBINFHSA-N 167.252 1.561 30 20 ADED C=CCCC(C)(C)NC(=O)C=NOC 856372335 KJPAGNDUVXNGDA-UHFFFAOYSA-N 198.266 1.480 30 20 ADED C#C[C@@H](C)N[C@@H](C)Cc1cnccn1 877514069 ISPGMUWZAPYJEK-ZJUUUORDSA-N 189.262 1.019 30 20 ADED C=CCN1C[C@H](C(=O)O)C2(CCC2)C1 885772557 JNZHCRWYJGNBRP-SECBINFHSA-N 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147.181 1.303 30 20 ADED C=CC[C@@H](C)NC[C@@H]1CCCOC1 162636424 RLEGIDJYAKFNHL-MNOVXSKESA-N 183.295 1.967 30 20 ADED C=C(C)CCN(C)CC[C@@H](C)O 168037543 OHHNGZIHMAIPMA-SNVBAGLBSA-N 171.284 1.655 30 20 ADED C=CCCNCc1cnn(CC)c1 168719503 XKCFBPIHYBCXPC-UHFFFAOYSA-N 179.267 1.569 30 20 ADED C=C[C@@H](C)NC(=O)C1CCC1 223798935 ZVUWDUUZJNACOQ-SSDOTTSWSA-N 153.225 1.477 30 20 ADED C=CC[C@@H](C)N[C@@H](C(=O)O)C1CC1 235426554 BFDAHVOQTUHLBT-VXNVDRBHSA-N 183.251 1.404 30 20 ADED CC#CCN1CC[C@H](C)C[C@H]1C(=O)O 253163049 WMLLHHXTPAGFPW-UWVGGRQHSA-N 195.262 1.195 30 20 ADED C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@H](C(=O)O)C1 306257578 PXMLTESPARDFLC-XHNCKOQMSA-N 196.246 1.879 30 20 ADED N#CCNC(=O)C=C1CCCC1 306417804 UFUYKAIUIQJQRB-UHFFFAOYSA-N 164.208 1.127 30 20 ADED C=CCNC(=O)[C@@H](C)SC 306470317 QGMXHNSOLCPTRU-ZCFIWIBFSA-N 159.254 1.040 30 20 ADED C=CCN1CC[C@@H](OC)C[C@@H]1C 306485260 REHLKBAPDPEBOP-VHSXEESVSA-N 169.268 1.672 30 20 ADED C#CC(=O)N1CC[C@H](C)[C@H]1CC 306691578 NYXVMLDWSLMOJH-DTWKUNHWSA-N 165.236 1.267 30 20 ADED C[C@H](CO)[C@]1(C=O)CCC[C@H]1C 306722539 FQUXTIXJFFRUCE-BBBLOLIVSA-N 170.252 1.620 30 20 ADED N#Cc1ncn(COC2CCCC2)n1 307170992 LKJBVHBAGANKDG-UHFFFAOYSA-N 192.222 1.066 30 20 ADED C=C[C@H](C(=O)O)N1C[C@H]2[C@H](C1)C2(C)C 307463187 FIAYHLOHQCWFNG-XHNCKOQMSA-N 195.262 1.213 30 20 ADED CCCc1csc(N=C(N)N)n1 307582473 VDYSWBGVEMTPKU-UHFFFAOYSA-N 184.268 1.001 30 20 ADED Cc1cccnc1NN=C1COC1 307619948 ZZYBFANUCGSJII-UHFFFAOYSA-N 177.207 1.188 30 20 ADED C=CCCn1nc(Cl)sc1=O 307712279 WNNWHYSSNKUHKA-UHFFFAOYSA-N 190.655 1.534 30 20 ADED CC(C)(C)ON=Cc1cnc[nH]1 307965478 QMVDMPPAUPKYOM-UHFFFAOYSA-N 167.212 1.559 30 20 ADED C=CCOC(=O)[C@@H](OC)C(C)C 307999961 YUQVHJDHSMYXJT-QMMMGPOBSA-N 172.224 1.387 30 20 ADED C=CCCC(=O)N[C@@H](C)CC#N 308040323 NAWKJBSGKQDYDC-QMMMGPOBSA-N 166.224 1.371 30 20 ADED C#CCCCC(=O)OCCC#CC 308338629 PJMKBRFGWBOCMC-UHFFFAOYSA-N 178.231 1.747 30 20 ADED CC[C@@H](C)NN=Cc1cnn(C)c1 308384809 WIKOPYNMTITUPF-MRVPVSSYSA-N 180.255 1.142 30 20 ADED 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JKMRBGOGFLDILI-UHFFFAOYSA-N 198.266 1.267 30 20 ADED C=C[C@@H](O)C(=O)N1CCCCCCC1 816814265 MLKJHLLENORCRT-SNVBAGLBSA-N 197.278 1.326 30 20 ADED CCC(C=NN[C@@H]1CCC[C@H]1O)CC 817331532 NACODMPGMHGXRO-GHMZBOCLSA-N 198.310 1.911 30 20 ADED C#CCCOC(=O)CC1(COC)CC1 829873714 MKROTIWDYMBIQT-UHFFFAOYSA-N 196.246 1.370 30 20 ADED CC(=NNC(=N)N)[C@H]1CCCC[C@@H]1C 834938146 CEMHMGBDKNDIEX-CBAPKCEASA-N 196.298 1.672 30 20 ADED CC(Cc1cnccn1)=NNC1CC1 834968090 CTEVNWWHNMSDLQ-UHFFFAOYSA-N 190.250 1.147 30 20 ADED C=CCCC(=O)O[C@@H](C)C(=O)NCC 835760038 BUZKMZGGZVKGHM-QMMMGPOBSA-N 199.250 1.020 30 20 ADED C=C[C@@H](C)NC(=O)NOCC1CC1 838608116 NGPRPHADVUCTQB-SSDOTTSWSA-N 184.239 1.202 30 20 ADED COCCCON=C1CO[C@@H](C)C1 842534092 ZYGGNHSFOZDIEC-QMMMGPOBSA-N 187.239 1.204 30 20 ADED CCCON=CCCOCC 842555652 YUYNBVJBDQXQHP-UHFFFAOYSA-N 159.229 1.825 30 20 ADED CC[C@@H](C#N)C(=O)NOC1CCC1 846237905 NUILYKZYYPBFQN-ZETCQYMHSA-N 182.223 1.136 30 20 ADED C#CCOCCN1CC(C)(C)C[C@H]1C 852175534 HLRGOQMVYSKWAW-LLVKDONJSA-N 195.306 1.757 30 20 ADED C#CCCOC(=O)N1CCC=C(C)C1 859146308 LYFFNPNZGZCJBQ-UHFFFAOYSA-N 193.246 1.798 30 20 ADED C#CCCCNCc1cccc(C#N)n1 877069658 DNKRRSSMXJKZIR-UHFFFAOYSA-N 199.257 1.456 30 20 ADED CCCCCCn1cc(C#N)nn1 882169233 OGBNBSTZYWXMSP-UHFFFAOYSA-N 178.239 1.730 30 20 ADED C=C1CN(C(=O)[C@H](C)C2CCC2)C1 898703565 SPEXWMGBPFIWHY-SECBINFHSA-N 179.263 1.821 30 20 ADED C=CC[C@@H](C)[C@@H](C)NCCCON 902417352 IFZPZPQXLHAEKC-NXEZZACHSA-N 186.299 1.457 30 20 ADED CCCCN(O)C(=O)[C@H](C)OCC 904209090 TWRBSZJVCXSTCN-QMMMGPOBSA-N 189.255 1.429 30 20 ADED C=C[C@H](CC)CC(=O)OCC#N 909531315 XHRFYHJNSHOFFC-MRVPVSSYSA-N 167.208 1.655 30 20 ADED CC(C)(C#N)CC(=O)N1CC2(CC2)C1 926463028 XSGMVONFFRNCLY-UHFFFAOYSA-N 192.262 1.549 30 20 ADED C#CCN(C)C(=O)[C@H](C)n1cccc1 1338966889 OSTDJDGFXWCAMG-JTQLQIEISA-N 190.246 1.141 30 20 ADED C=C(C)CCC(=O)O[C@@H](C)COC 1516626531 YMXOKJYKNVHPIJ-VIFPVBQESA-N 186.251 1.921 30 20 ADED C=C(CC)C(=O)N(C)[C@H](C)C(C)(C)O 1520219855 GOKGUEJUBBJCTK-SECBINFHSA-N 199.294 1.570 30 20 ADED C[C@@H](CC(C)(C)C#N)N[C@H](C)C(=O)O 1589008197 SYJNBLVOAIEBOS-JGVFFNPUSA-N 198.266 1.377 30 20 ADED C[C@@H](CCC#N)CN(C)CCC(=O)O 1589012543 HVZNZUNNVJJQQC-VIFPVBQESA-N 198.266 1.333 30 20 ADED C#CC[C@@H](N[C@H](C)CCC=C)C(=O)O 1602694974 WAFXTUGIOZJVPH-NXEZZACHSA-N 195.262 1.407 30 20 ADED C(#Cc1cn[nH]c1)CN1CCCCC1 1898225694 OXIUPZOWSCFJFH-UHFFFAOYSA-N 189.262 1.247 30 20 ADED C[C@H](CC#N)C(F)(F)CO 2298025425 WHAPROYLKUSIPD-RXMQYKEDSA-N 149.140 1.164 30 20 ADED N#CCNC(=O)CCC1CCCC1 37714258 XPQARRHMYHPJNW-UHFFFAOYSA-N 180.251 1.597 30 20 ADED CN(CCC#N)C(=O)CC1CC1 47846313 OSQYKCHVJIUYQY-UHFFFAOYSA-N 166.224 1.159 30 20 ADED CC(=O)CN(CCC#N)CC(C)C 48013752 XEAZTRJAPXAZEM-UHFFFAOYSA-N 182.267 1.447 30 20 ADED CC(C)CN(C)[C@@H](C)CC#N 48246720 ZRXYCBRBXCCHSV-VIFPVBQESA-N 154.257 1.876 30 20 ADED CC#CCN1CCCC[C@@H]1CCO 51666352 KPIVDOAECXFPNK-LLVKDONJSA-N 181.279 1.247 30 20 ADED C=C(Cl)CN1CCC[C@H](C#N)C1 70663278 HKQAJLBFSJBKHA-SECBINFHSA-N 184.670 1.974 30 20 ADED CC[C@H](SCCC#N)C(=O)O 82693010 FVXFGCPAEWZRKJ-LURJTMIESA-N 173.237 1.496 30 20 ADED N#CCC1CCC(C(=O)O)CC1 84233307 KGVMMEPISGEXJS-UHFFFAOYSA-N 167.208 1.791 30 20 ADED C[C@@H]1CCN(CCC#N)C[C@@H]1C 160981787 QPUAJPLXTYBQIS-ZJUUUORDSA-N 166.268 1.878 30 20 ADED C#CCCCSCCN(C)C 161044121 ZKPYGGQDHUVIOL-UHFFFAOYSA-N 171.309 1.695 30 20 ADED C=C(CC)CNCC[C@@H]1CCOC1 232826261 KRRYPSKEVSOQLX-LLVKDONJSA-N 183.295 1.969 30 20 ADED C#C[C@@H](CC)NC(=O)NCCCC 232976160 OPVIQUCXVIDZEJ-VIFPVBQESA-N 182.267 1.498 30 20 ADED CCOC(=O)c1cc(O)cc(C#N)c1 238259456 DYCLIGNJXWFPTH-UHFFFAOYSA-N 191.186 1.441 30 20 ADED C#CCN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 250376794 ILNYOHNABIEKOR-GARJFASQSA-N 191.274 1.514 30 20 ADED CCC(=O)N[C@@H](C#N)C1CCCC1 259970830 OJXLUBUVFOVUSL-VIFPVBQESA-N 180.251 1.595 30 20 ADED Cn1nc(C#N)c2c(F)cccc21 260907498 IVVOYKZWYXBIKO-UHFFFAOYSA-N 175.166 1.584 30 20 ADED C[C@@H](C#N)CNc1ncncc1Cl 306217392 JTNMYSVAZMIUKT-LURJTMIESA-N 196.641 1.702 30 20 ADED C[C@H](Nc1cc(C#N)ncn1)C1CC1 306400534 OCWXOKMBOVMPQQ-ZETCQYMHSA-N 188.234 1.559 30 20 ADED C=C1CCN(C[C@@H](O)CC)CC1 306564283 QANPONRFZCGGMW-JTQLQIEISA-N 169.268 1.409 30 20 ADED C[C@@H]1CCN(CCC#N)CCS1 306691196 QCHOCBOLYTVUKG-SECBINFHSA-N 184.308 1.727 30 20 ADED C#CCN1CCCC[C@H]1[C@H](O)CC 306719197 XIWAOLOROZBTFM-WDEREUQCSA-N 181.279 1.245 30 20 ADED CC(C)(C=O)[C@H]1CCCC[C@@H]1O 307314311 VJNHSNBKNJRNTN-IUCAKERBSA-N 170.252 1.763 30 20 ADED C/N=C(\NC)NCC1(C2CC2)CCC1 307402437 CCIAWQZPQVBXTM-UHFFFAOYSA-N 195.310 1.362 30 20 ADED C#CC(=O)N1CC[C@@H](C)[C@H](C)C1 307465247 JHLDAARAZNIRAZ-RKDXNWHRSA-N 165.236 1.124 30 20 ADED C#C[C@H](C)NC1CC(C(F)F)C1 307577538 MCWJITGNFPZOOQ-KKMMWDRVSA-N 173.206 1.641 30 20 ADED CON=Cc1cc(C(=O)O)cs1 307974195 JMOUSWDLFPWIBM-UHFFFAOYSA-N 185.204 1.427 30 20 ADED C#C[C@H](C)N[C@H](C)C[C@H]1CCOC1 308171527 ZTWZAOISIVKPAJ-HBNTYKKESA-N 181.279 1.413 30 20 ADED C=CCCC(=O)N[C@@H](C)C(C)(C)O 308332962 LVSKYMJWYDHKJN-QMMMGPOBSA-N 185.267 1.228 30 20 ADED CC(=NNC1CC1)[C@@H]1CCCOC1 308342640 RWOYAWAPYXMGCX-SECBINFHSA-N 182.267 1.541 30 20 ADED C=C(C)CN(C)C(=O)/C=C/COC 308359293 LPQACELCVFOEQK-AATRIKPKSA-N 183.251 1.224 30 20 ADED C=C(C)CNC(=O)[C@]1(C)CC1(F)F 335068048 JNQXBMQFIQWQDH-QMMMGPOBSA-N 189.205 1.724 30 20 ADED C=C(C)CNC(=O)[C@]1(C#N)C[C@H]1C 335214167 JDHFLPPCZZGFOO-SCZZXKLOSA-N 178.235 1.228 30 20 ADED CCN(CC#N)C(=O)[C@H]1CC=CCC1 336379966 MZDLDTOVPNCZNT-JTQLQIEISA-N 192.262 1.715 30 20 ADED CCCCNN=Cc1n[nH]cc1C 378750336 OCCKQEWVZJFNSD-UHFFFAOYSA-N 180.255 1.442 30 20 ADED C=CCOCCN(C)C[C@H](C)C#N 378872466 REZGJRPOBWJXTN-SNVBAGLBSA-N 182.267 1.280 30 20 ADED CO[C@@H](C)C(C)=NNC[C@H](C)C#N 379363560 KKSMIFWPQQCCNC-APPZFPTMSA-N 183.255 1.146 30 20 ADED C=C(C)CNC(C)(C)c1cnn(C)c1 379594249 CMANFSYTMNNJJG-UHFFFAOYSA-N 193.294 1.821 30 20 ADED CC(CCO)=NOC1CCC1 388107517 YDVZXAUAAKUDPD-UHFFFAOYSA-N 157.213 1.314 30 20 ADED CCCOC(=O)N1CCC[C@@H](C#N)C1 388848292 ZFOUXCGOUFJAHX-VIFPVBQESA-N 196.250 1.769 30 20 ADED C#CCCN(CC(C)(C)C)OC 393354376 JSFSJFZWTHRLNR-UHFFFAOYSA-N 169.268 1.919 30 20 ADED C#CCON=C1CC(OC(C)C)C1 393482725 ROGPCUGTOLNGQF-UHFFFAOYSA-N 181.235 1.580 30 20 ADED C=C[C@H](C)NC(=O)C(C)(C)C(F)F 393550680 QJPRGCUYNLBLGC-LURJTMIESA-N 191.221 1.968 30 20 ADED C=C(CC)CN[C@H](C)[C@@H](C)O 395756622 RNBJCYVSWVTSEH-RKDXNWHRSA-N 157.257 1.312 30 20 ADED CC/N=C(/NCC)NC[C@H]1CC1(C)C 395796361 BQVLDIODANZBDL-SECBINFHSA-N 197.326 1.608 30 20 ADED CC(C)N1CC(C)(C)[C@H](C=O)OC1=O 409434312 WNOKWXAEGQRVCM-QMMMGPOBSA-N 199.250 1.441 30 20 ADED CCn1cc(C#N)c(-c2ccncc2)n1 409437461 GRXVESKKDUQSMN-UHFFFAOYSA-N 198.229 1.837 30 20 ADED CC1(C#N)CN(CC[C@H]2CCCO2)C1 585716591 ZTFUCESXLFQZGJ-SNVBAGLBSA-N 194.278 1.401 30 20 ADED C[C@H](C#N)CNC(=O)[C@@H](C)C1CCC1 590905373 YAGSWNJAXRRQRP-BDAKNGLRSA-N 194.278 1.698 30 20 ADED C=C1CCN(C[C@@H](O)COCC)CC1 603556021 MDTQAGZLGPDVAO-LLVKDONJSA-N 199.294 1.036 30 20 ADED N#CCCCCN(CCO)CC1CC1 609046973 HJZUXNPNQBNRMZ-UHFFFAOYSA-N 196.294 1.385 30 20 ADED N#Cc1ccn(CCOCC2CC2)c1 611755489 WBJJLJSYHXEURR-UHFFFAOYSA-N 190.246 1.786 30 20 ADED CCC#C[C@H](C)N1CC[C@@](F)(C#N)C1 615645784 QBJJKLPDULXQNG-WDEREUQCSA-N 194.253 1.726 30 20 ADED COCCN(CCC#N)C[C@@H]1C[C@H]1C 617099109 VSDUADCJPCSAJB-MNOVXSKESA-N 196.294 1.504 30 20 ADED C=C(C)CNc1ncncc1C 641500734 KORTYZSFAWQISX-UHFFFAOYSA-N 163.224 1.773 30 20 ADED C=C(CC)CN[C@H]1CCNCC[C@@H]1C 643493467 HLJAMSSBDTYJNE-RYUDHWBXSA-N 196.338 1.930 30 20 ADED C=CCC[C@@H](CC)NC[C@@H](C)N 643529113 VJYSLMSOUJVGEC-NXEZZACHSA-N 170.300 1.668 30 20 ADED C=C[C@H](CO)NCc1ccoc1C 657791353 REJHRQPVQIATMU-SNVBAGLBSA-N 181.235 1.225 30 20 ADED C=CCN1CCC[C@]2(CCN(C)C2)C1 660652380 JADMFCRGCJZFSW-GFCCVEGCSA-N 194.322 1.590 30 20 ADED CC#CCNC(=O)[C@@H](CC(C)C)OC 667973706 OMTYIBXXIQYZSP-SNVBAGLBSA-N 197.278 1.187 30 20 ADED C=C[C@@H](O)C(=O)NCC1(C)CCCC1 668487902 XTGQHLXRYIUTLK-SECBINFHSA-N 197.278 1.230 30 20 ADED C=C(C)CN(C)Cc1nccn1C 679550335 UKOLVSCKEOEAGN-UHFFFAOYSA-N 179.267 1.428 30 20 ADED CC#CCCN1CCC[C@@H](COC)C1 680884147 OOZMGYYSQLAXKA-GFCCVEGCSA-N 195.306 1.758 30 20 ADED CCC#C[C@@H](C)N(C)CCCCCO 684002810 OBBCSQKJBXXEJJ-GFCCVEGCSA-N 197.322 1.883 30 20 ADED C#CCCN(CCOC)C(=O)/C=C\C 697496458 URMAEMKJLHZPIJ-ALCCZGGFSA-N 195.262 1.061 30 20 ADED C[C@@H](Oc1ccccc1F)C(=O)NO 706283312 INJFSOJSRXJQLV-ZCFIWIBFSA-N 199.181 1.098 30 20 ADED CC#CCN1[C@H](CN)CC[C@@H](C)[C@H]1C 709602822 WENIZVDSJBQSTN-UTUOFQBUSA-N 194.322 1.457 30 20 ADED C=CCN(CC=C)Cc1nonc1C 734149997 WHZYPYPQTOWJCM-UHFFFAOYSA-N 193.250 1.552 30 20 ADED CCC(=O)CCN(CC)C[C@@H](C)C#N 753710944 SXIAWZPESZJTPW-JTQLQIEISA-N 196.294 1.837 30 20 ADED C#C[C@@H](CC)NC(=O)c1coc(C)n1 754683356 UZLVYUNRYCJQMW-QMMMGPOBSA-N 192.218 1.125 30 20 ADED CC#CCCOC(=O)c1cccn1C 782147907 WCYWXPBKXCOSQL-UHFFFAOYSA-N 191.230 1.595 30 20 ADED C#C[C@H](C)NC(=O)NC1(C)CCCC1 812028698 NIPQXSHERUQRQI-VIFPVBQESA-N 194.278 1.640 30 20 ADED CC[C@@H]1CCC[C@H](C=NNCCO)C1 814942322 UNIVNLPATGSKGE-MNOVXSKESA-N 198.310 1.771 30 20 ADED CC(C)ON=Cc1cncn1C 835000716 QOOIJRVKCSPQIA-UHFFFAOYSA-N 167.212 1.179 30 20 ADED C#CCNN=C1c2ccccc2C[C@@H]1C 835008305 WSXNEROAZOUBCE-JTQLQIEISA-N 198.269 1.806 30 20 ADED C=CCNC(=O)C#CC(C)(C)C 837307054 LQUUJXKRJODFGZ-UHFFFAOYSA-N 165.236 1.338 30 20 ADED CCC(=NN(C)CCOC)[C@H]1C[C@@H]1C 841637137 QNRQVYJLPPYSSO-UWVGGRQHSA-N 198.310 1.987 30 20 ADED C#CCNC(=S)NCC[C@H](C)CC 849277686 AXZNNXPSIZKQDC-SECBINFHSA-N 198.335 1.520 30 20 ADED C=CCCCC(=O)NC/C=C\CO 855404390 VCXJOPQPUSAVLX-WAYWQWQTSA-N 183.251 1.007 30 20 ADED CCC1=NN(C[C@H](C)C#N)C(=O)[C@H]1F 871944405 LTBPYKKHFVNXGK-SVRRBLITSA-N 197.213 1.092 30 20 ADED C#CCCCC(=O)Nc1conc1C 880446987 WUWQRTIUTZDQFY-UHFFFAOYSA-N 192.218 1.725 30 20 ADED C#CCOCCN1CCC[C@H](F)C1 902993316 SPZFAJZYCLSTAG-JTQLQIEISA-N 185.242 1.070 30 20 ADED C=C[C@@H](CC)CC(=O)N1CCOCC1 929141632 SYTUANRTIWPYNP-JTQLQIEISA-N 197.278 1.448 30 20 ADED Cc1cc(CN(C)C[C@H](C)C#N)n[nH]1 1323291368 RRMZYOMUDIQHGZ-MRVPVSSYSA-N 192.266 1.310 30 20 ADED C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)N 1341490012 VWOXPRFLIHQDAV-UWVGGRQHSA-N 198.310 1.394 30 20 ADED 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ADED CC#CC(=O)NCC1(CCC)CC1 393718283 UJLCGSFXIOQLHB-UHFFFAOYSA-N 179.263 1.706 30 20 ADED C#CCN(C)[C@@H](CCCC)C(=O)O 394965622 SQIOXKOJQURTHT-VIFPVBQESA-N 183.251 1.195 30 20 ADED Cn1cc(C#N)c(-c2cccnc2)n1 409441404 XOBKPWRMYINIAS-UHFFFAOYSA-N 184.202 1.354 30 20 ADED O=C[C@@H]1C[C@H]1[C@@H]1CCSC1 521400197 FNRWFTWONOTGNL-CSMHCCOUSA-N 156.250 1.575 30 20 ADED C=CCCC[C@H](F)CNC 575623280 DYFQQBMIMIPCLV-QMMMGPOBSA-N 145.221 1.900 30 20 ADED CC1(C)[C@H](NCC#N)[C@H]2CCCO[C@H]21 590756327 OFXOVMQZFQXSQD-OPRDCNLKSA-N 194.278 1.303 30 20 ADED C=CCN(CC=C)[C@@H](CC)C(=O)OC 591011327 RSHFHAJFGGGLBU-JTQLQIEISA-N 197.278 1.612 30 20 ADED C=CCOCCSC[C@@H](C)O 591132589 VLJZRWNFDCVFHH-MRVPVSSYSA-N 176.281 1.303 30 20 ADED C[C@H](CCO)S[C@@H](C#N)C1CC1 601077726 ZNBRNEZKVGBNLU-APPZFPTMSA-N 185.292 1.793 30 20 ADED C=CC[C@H](C)NC(=O)c1[nH]cnc1C 635574193 BLIRWPBVHBIQHE-ZETCQYMHSA-N 193.250 1.413 30 20 ADED C=CCN[C@H]1[C@H](C)NCC[C@H]1C 643077220 FLNTXEVHOZPTDH-KXUCPTDWSA-N 168.284 1.149 30 20 ADED C=CC[C@H](C)N[C@H]1CNCC[C@H]1C 643470561 NITQWGFUTIEQEE-VWYCJHECSA-N 182.311 1.539 30 20 ADED C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)O 649371485 AJTFWPCBRHTAIW-BDAKNGLRSA-N 199.294 1.474 30 20 ADED C=C(C)CCNC(=O)C1(O)CCCC1 650931164 LLZAFXDFGVGQPS-UHFFFAOYSA-N 197.278 1.374 30 20 ADED C=CCN(C)Cc1ccc(OC)nn1 669934487 JNFPKVSKJKDDPJ-UHFFFAOYSA-N 193.250 1.103 30 20 ADED C=C[C@@H](C)NC(=O)c1cc(C)ncn1 677567310 TWNIMMOHZWCITF-SSDOTTSWSA-N 191.234 1.089 30 20 ADED C=CCCC[C@H](C)NC(=O)CN(C)C 678939321 KYQYJFJPNKLHSH-JTQLQIEISA-N 198.310 1.409 30 20 ADED C=CCCCNC(=O)[C@@H](CC)N(C)C 684154461 BMAOFMOSXIQOCG-SNVBAGLBSA-N 198.310 1.409 30 20 ADED C#CCCCN(C)C[C@H]1CCC[C@H]1O 689233728 XLVNCTXQCRFZKN-VXGBXAGGSA-N 195.306 1.493 30 20 ADED CC[C@@H]1COC[C@H]1NCC(C)(C)C#N 699475581 WJDXSTPOGGAGKV-NXEZZACHSA-N 196.294 1.551 30 20 ADED C=CCCN1C[C@H](C)[C@@](C)(C(=O)O)C1 710237340 BPOTUDUJFIANFY-ONGXEEELSA-N 197.278 1.605 30 20 ADED C#CC[C@H](CO)N[C@@H](C)[C@@H](C)CC 717750284 SWTLQZVEYXCXCG-GARJFASQSA-N 183.295 1.395 30 20 ADED C#CCN(C)C1CCN(CCC)CC1 732203845 JRHXETQNIFIDHW-UHFFFAOYSA-N 194.322 1.426 30 20 ADED C=CCNC(=O)/C=C\C1CCOCC1 732653601 CTBKDXNFWUAVOD-ARJAWSKDSA-N 195.262 1.271 30 20 ADED CC(C)[C@H]1CCCC1=NN[C@@H](C)CO 747763083 ABPOJZHJDDMVBF-VHSXEESVSA-N 198.310 1.769 30 20 ADED C#CCCCNC(=O)C(C)(C)COC 755936906 PRLJFOBWNMVGAX-UHFFFAOYSA-N 197.278 1.189 30 20 ADED C#CCN(C(=O)C[C@H](C)OC)C1CC1 763797145 SFBQMKIDXZNJDM-VIFPVBQESA-N 195.262 1.036 30 20 ADED C[C@H]1CC(=NNC[C@@H](C)C#N)CCO1 773208800 PRPMJJFIMNLLNJ-IUCAKERBSA-N 195.266 1.291 30 20 ADED C#CCOCCNC(=O)/C(C)=C\CC 784593948 OJWGTNBGKDHXDY-POHAHGRESA-N 195.262 1.109 30 20 ADED C#CCCOC(=O)c1nc(C)oc1C 814503766 JPQDIFRDNZDECC-UHFFFAOYSA-N 193.202 1.472 30 20 ADED C#C[C@@H](C)NC(=O)NC(C)(C)CCC 820436709 YVAIFEWEYJJVRT-SECBINFHSA-N 196.294 1.886 30 20 ADED O=C(O)CCNN=C[C@@H]1CC=CCC1 821524405 ADTPXVDXCYPKIY-SECBINFHSA-N 196.250 1.393 30 20 ADED C=C[C@H](CC)CC(=O)N1CC=CC1 822547798 QCUPWRCCSVZKCF-SNVBAGLBSA-N 179.263 1.987 30 20 ADED CC#CC(=O)N1CC(C(F)(F)F)C1 829145314 YPIFGBYSOVQAEI-UHFFFAOYSA-N 191.152 1.030 30 20 ADED CC(C)ON=C1CCO[C@@H](C)C1 835003018 PYNKVAAITWFRAJ-QMMMGPOBSA-N 171.240 1.966 30 20 ADED C=CCCN(C)Cc1cc(C)nn1C 841877302 MROAXEHNDCAGIV-UHFFFAOYSA-N 193.294 1.736 30 20 ADED C=C[C@@H](C)ON=C[C@H]1CCCOC1 844621318 YIBGTTSXJLVYCI-NXEZZACHSA-N 183.251 1.990 30 20 ADED C=C[C@@H](C)OC(=O)/C=C(/C)COC 845522587 OFWNJDFRHOCUCJ-JGAIRUGNSA-N 184.235 1.697 30 20 ADED C=C[C@@H](C)ONC(=O)c1ccoc1C 846542383 APFHRCOEWNDJIS-SSDOTTSWSA-N 195.218 1.824 30 20 ADED CCN(Cc1cnsn1)[C@@H](C)C#N 852646855 TYSKTMPKFSZQKJ-ZETCQYMHSA-N 196.279 1.272 30 20 ADED C=CCCC(=O)O[C@@H]1COC[C@H]1C 853195000 WMJJSFAYOZFJLG-RKDXNWHRSA-N 184.235 1.531 30 20 ADED C=C[C@](C)(O)C(=O)N[C@H]1CCC1(C)C 854456397 OYBCKKHUMYYGBI-KWQFWETISA-N 197.278 1.228 30 20 ADED C=CCCNC(=O)[C@@H](O)CCCCC 855380610 DHUVCAAADSYVLJ-JTQLQIEISA-N 199.294 1.620 30 20 ADED C#CCN(C)Cc1nc(C)c(C)[nH]1 878500962 JZLWXPVVAPKQKX-UHFFFAOYSA-N 177.251 1.092 30 20 ADED C#CCN(C[C@@H](O)C(C)(C)C)C(C)C 932387914 OECSRWNPOUIRJO-LLVKDONJSA-N 197.322 1.737 30 20 ADED C=C(C)CCC(=O)NC1CC(=O)C1 1120657280 WNULSCDYICPVOZ-UHFFFAOYSA-N 181.235 1.190 30 20 ADED C=C(C)CCC(=O)NCCNC(C)C 1128413752 MLJOEQGKUKRWIY-UHFFFAOYSA-N 198.310 1.457 30 20 ADED Cn1ccc(NN=Cc2ccc[nH]2)n1 1320695127 BXSDCAPEGYZSPH-UHFFFAOYSA-N 189.222 1.194 30 20 ADED CSc1ncc(OCC#N)cn1 1329532634 RSGWOGMRSHKDHW-UHFFFAOYSA-N 181.220 1.101 30 20 ADED C=C(C)C(C)(C)C(=O)OCC(=O)O 1602744931 RQLAWKQTNQDKDL-UHFFFAOYSA-N 186.207 1.217 30 20 ADED CCCC1(CC=O)OCCO1 34300561 LPARFXDJSBKAKX-UHFFFAOYSA-N 158.197 1.119 30 20 ADED COCC1(C=O)CCCCC1 39062940 LENYLESHOWGJLW-UHFFFAOYSA-N 156.225 1.782 30 20 ADED N#CCC1(N)CCCCC1 39115743 YBMGRNAPKVLZEB-UHFFFAOYSA-N 138.214 1.562 30 20 ADED C#CCN(CC)CC(F)(F)F 42779625 NAZVSJJZHQLNDQ-UHFFFAOYSA-N 165.158 1.504 30 20 ADED N#Cc1cc(NCC2CC2)ccn1 61811563 CMKUBCBRKRDULI-UHFFFAOYSA-N 173.219 1.775 30 20 ADED CCS(=O)(=O)CCC(C)(C)C#N 83643424 MLCAUYBZHGRXFW-UHFFFAOYSA-N 189.280 1.361 30 20 ADED N#CCC1(CSCCCO)CC1 85162996 HMPKBHHFMXHGIX-UHFFFAOYSA-N 185.292 1.796 30 20 ADED COc1ccc([C@@H](O)CC#N)cc1F 85879563 UVFPJQLRIIBCPF-VIFPVBQESA-N 195.193 1.781 30 20 ADED C#CCCOC(=O)CCC 114131620 INEVNYMQBMSCBQ-UHFFFAOYSA-N 140.182 1.353 30 20 ADED CC[C@@](C)(C#N)C(=O)NC1CC(C)C1 123486063 WQBNKRLUHYQMTQ-AMUVOQDHSA-N 194.278 1.841 30 20 ADED C#CC(C)(C)NC(=O)C1[C@@H]2CCC[C@@H]12 123490494 SXZRMECUYUAUTL-RKDXNWHRSA-N 191.274 1.561 30 20 ADED C=CC[C@@H](C)NC(=O)NCC 124278772 NHPFXGVJWBIUBD-SSDOTTSWSA-N 156.229 1.270 30 20 ADED CC#CCN1CCCCC[C@H]1CO 124785962 BYGKMFKWORWXCJ-NSHDSACASA-N 181.279 1.247 30 20 ADED CC#CCCOc1ccc(CO)cc1 157753003 XQUUPZLBIPAGLC-UHFFFAOYSA-N 190.242 1.971 30 20 ADED C=CC[C@H](C)Nc1ncc(F)cn1 158924254 PPGGUYQIUPUZGQ-ZETCQYMHSA-N 181.214 1.992 30 20 ADED C#C[C@H](C)NC(=O)C[C@@H]1C=CCC1 165251680 MJYMCNQSKFICTH-VHSXEESVSA-N 177.247 1.481 30 20 ADED C#C[C@H](C)N[C@H]1CCO[C@@H](CC)C1 166485650 BYCHGSMQPKGHDK-DCAQKATOSA-N 181.279 1.555 30 20 ADED C#CCCCNC[C@@H]1CCC=CO1 219426582 POXWZGNXTMXIGA-NSHDSACASA-N 179.263 1.682 30 20 ADED CCS[C@H]1CCC[C@H]1NCC#N 233840742 RFSWZFPHOOFLJN-BDAKNGLRSA-N 184.308 1.774 30 20 ADED C#C[C@@H](C)N[C@@H](C)C1CCOCC1 235194558 RWFOJDULBOVLIB-ZJUUUORDSA-N 181.279 1.413 30 20 ADED C#Cc1cc(OC)c(O)c(OC)c1 238461451 VIPZHJQVXJTNME-UHFFFAOYSA-N 178.187 1.391 30 20 ADED C#C[C@@H](N[C@H]1CCOC1)C(C)C 300900726 KWOMZNRRDHOVET-VHSXEESVSA-N 167.252 1.023 30 20 ADED C=C[C@H]1CCCCN1C(=S)NCC 306150132 FESACGYKLNSOIR-VIFPVBQESA-N 198.335 1.921 30 20 ADED CCCc1onc(C)c1C(=O)NO 306373876 KJXRIMDORPIHGP-UHFFFAOYSA-N 184.195 1.055 30 20 ADED CCc1sc(C(=O)NO)cc1C 306524953 OSLOPNHJOVWBFP-UHFFFAOYSA-N 185.248 1.738 30 20 ADED C[C@@H](O)CSc1ccc(C#N)cn1 307700510 QJIDHFPQCBHZHN-SSDOTTSWSA-N 194.259 1.426 30 20 ADED CCCCC(=O)NCC1(C#N)CC1 308243696 TYMZGOSYRFLOOR-UHFFFAOYSA-N 180.251 1.597 30 20 ADED C[C@@H](N(C)C(=O)CC#N)C1(C)CC1 308259599 MSWWOCJRPCZTBK-MRVPVSSYSA-N 180.251 1.547 30 20 ADED C=CCCN[C@](C)(CC)C(=O)OC 308402336 JIAHFJIAILRCNT-SNVBAGLBSA-N 185.267 1.494 30 20 ADED C#CCOC(=O)[C@H](C)CCCOC 308465141 IXLXRGARZOCFNO-SECBINFHSA-N 184.235 1.226 30 20 ADED CC[C@H](CNC(=O)[C@@H](C#N)CC)OC 308568316 IZGATEMSVCASOV-RKDXNWHRSA-N 198.266 1.077 30 20 ADED C=CCC[C@H](CO)NCc1cc[nH]c1 320134969 AKGGLWSOTRNNAJ-LLVKDONJSA-N 194.278 1.431 30 20 ADED C=CC(C)(C)C(=O)N1CC[C@](C)(O)C1 334660066 JWYQSEJLXCWDJN-NSHDSACASA-N 197.278 1.182 30 20 ADED C=C(C)CN1CCc2n[nH]cc2C1 335715822 ZWOGBJWPGOIZRW-UHFFFAOYSA-N 177.251 1.344 30 20 ADED C=CCC(CC=C)C(=O)N(C)C 379336325 PPTVDUWMRSAKEP-UHFFFAOYSA-N 167.252 1.843 30 20 ADED CC[C@H](C#N)OC(=O)[C@@H](CC)OC 379388318 JGYRGGLJJKFNMN-HTQZYQBOSA-N 185.223 1.257 30 20 ADED C=CCCCNC(=O)CCCC#N 379401669 LFSDCXYCTIKJIY-UHFFFAOYSA-N 180.251 1.763 30 20 ADED C=CCNN=C(C)c1cccnc1 379407590 ZAIIXATUQVYCBM-UHFFFAOYSA-N 175.235 1.581 30 20 ADED C=CCCCN(C)[C@@H](C)C(=O)OCC 382478636 LVZHACCLKHOZPI-JTQLQIEISA-N 199.294 1.836 30 20 ADED C#CCNC(=O)[C@@H](SCC)C(C)C 388584734 HGXLDKKQKAFKSM-VIFPVBQESA-N 199.319 1.514 30 20 ADED C=CCCCCN[C@H](CC)C(=O)OC 389337016 WXXXLLQCAPOPFO-SNVBAGLBSA-N 199.294 1.884 30 20 ADED C=C(Cl)CN1CC[C@@H](COC)C1 393346896 HMCXJSAPGFGGRK-SECBINFHSA-N 189.686 1.707 30 20 ADED C#C[C@H](C)NCCC(C)(C)C(=O)O 395589843 IQJLLOUNAIRYFE-QMMMGPOBSA-N 183.251 1.099 30 20 ADED C=C(CC)CN[C@@H]1CCNC(=O)CC1 396663318 URALQXXJCXMFKU-JTQLQIEISA-N 196.294 1.211 30 20 ADED COC[C@@H](C)N1CCC[C@@H](CC#N)C1 397709710 SKUNOEFJDJSGLH-MNOVXSKESA-N 196.294 1.647 30 20 ADED CO[C@H](CNCC(C)(C)C#N)C1CC1 405119902 HPHNBBBVQWEGTQ-SNVBAGLBSA-N 196.294 1.551 30 20 ADED N#CCCCCNC(=O)CCCF 597150749 WXEMCHVCZRLBOK-UHFFFAOYSA-N 186.230 1.546 30 20 ADED CC[C@H](C)NCc1cccc(C#N)n1 602505972 QZBYDFPCOVFGOC-VIFPVBQESA-N 189.262 1.841 30 20 ADED C[C@@H]1OCC[C@H]1CN(C)[C@H](C)CC#N 602787112 ICBOIWXXVLOLOE-VWYCJHECSA-N 196.294 1.645 30 20 ADED CC(C)(C)CCC(=O)NC1(C#N)CC1 609990227 YDTWTEGXSDYIHL-UHFFFAOYSA-N 194.278 1.985 30 20 ADED C=CCCn1cc([N+](=O)[O-])ccc1=O 610034882 NKJJAGXGCRESRV-UHFFFAOYSA-N 194.190 1.333 30 20 ADED CCC[C@H](C)NC(=O)NC[C@H](C)C#N 611622981 RFYZACOOLGKMJB-BDAKNGLRSA-N 197.282 1.634 30 20 ADED CC#CCN(C)C(=O)CCC(C)(C)O 647541560 JVUXEWUQDLPHKT-UHFFFAOYSA-N 197.278 1.019 30 20 ADED C=C(C)CCNC(=O)C1(C)CC1 650928587 ILJPNFAUXKBPPR-UHFFFAOYSA-N 167.252 1.869 30 20 ADED C=CCCN(C[C@@H](C)C(=O)O)C1CC1 652488725 FWRAJSVLSJYNGS-SECBINFHSA-N 197.278 1.748 30 20 ADED C=CCN(C)CCc1ccnn1C 670088362 VRGVTFDZDXLISW-UHFFFAOYSA-N 179.267 1.080 30 20 ADED C=C[C@H](C)NC(=O)[C@@H](C)OCCCC 674954849 BORRSUBKKHYAOV-VHSXEESVSA-N 199.294 1.882 30 20 ADED C=CCOc1cccnc1C(=O)NC 678748323 KGCGTTGPVSHGLU-UHFFFAOYSA-N 192.218 1.006 30 20 ADED C=CCCCCNC(=O)CCCOC 681144947 FTELLHLWXKJPDI-UHFFFAOYSA-N 199.294 1.886 30 20 ADED CO[C@H](C)CN[C@@H](C)CC(C)(C)C#N 695883669 AFMBPBNXUOCGBB-VHSXEESVSA-N 198.310 1.939 30 20 ADED C=C[C@@H](C)ONC(=O)NCC1CC1 701046173 MSZXZVFYLHCLJX-SSDOTTSWSA-N 184.239 1.202 30 20 ADED C#C[C@H](NC[C@@H](O)CC)C(C)(C)C 702248217 LWUVTFWVAKLZPT-UWVGGRQHSA-N 183.295 1.395 30 20 ADED C=CCONC(=O)N[C@H](C)CC 707308642 CSJSTIALIXVDDS-SSDOTTSWSA-N 172.228 1.202 30 20 ADED C#C[C@](C)(CC)NC(=O)C1CSC1 718446833 FLVRPBQAPHLOSQ-SNVBAGLBSA-N 197.303 1.268 30 20 ADED CSCC1CCN(CC#N)CC1 719294339 SROJKVAGOPOEDX-UHFFFAOYSA-N 184.308 1.585 30 20 ADED CC[C@@H](C#N)OC(=O)C[C@@H](C)COC 756301944 PGBTUTKHFQSZQP-BDAKNGLRSA-N 199.250 1.504 30 20 ADED CON=C(C)c1cc(C(=O)OC)co1 766434093 KWFMZWUPOUXYPL-UHFFFAOYSA-N 197.190 1.437 30 20 ADED CC(C)(F)C(=O)OCC1(CC#N)CC1 768796404 KHDACUOXXUABDS-UHFFFAOYSA-N 199.225 1.972 30 20 ADED COC(=O)Oc1ccc(CC#N)cc1 790414331 SBRRCRQHWFEYGH-UHFFFAOYSA-N 191.186 1.898 30 20 ADED C[C@H](NCCC#N)c1ccc[nH]1 819193404 GMKVFYZAGVIUGZ-QMMMGPOBSA-N 163.224 1.579 30 20 ADED C#C[C@H](C)NC(=O)N(CC=C)CC=C 820447514 VFWBGMYOHLRYCX-JTQLQIEISA-N 192.262 1.392 30 20 ADED C#CCO[C@H](C)C(=O)N[C@H](C)CCC 822346856 PIVVNGKCPMAXBF-NXEZZACHSA-N 197.278 1.330 30 20 ADED C#CCN(CC)C[C@H](OC)C1CC1 822669036 QVDKAPIXGHSFAJ-NSHDSACASA-N 181.279 1.367 30 20 ADED CCC(COC)=NNc1ccncn1 835001283 FRPYRBKQLUHRTM-UHFFFAOYSA-N 194.238 1.301 30 20 ADED CON=CC(=O)N[C@@H]1C[C@@]1(C)C(C)C 838035077 AOAFZHOQPLZPOE-SCZZXKLOSA-N 198.266 1.169 30 20 ADED C=CCCCNC(=O)NOCC=C 838711879 VZZGDDYFUFOYDZ-UHFFFAOYSA-N 184.239 1.369 30 20 ADED CCC(=NN(C)C[C@H](C)O)[C@@H]1C[C@@H]1C 841648850 ZPOXIUSHHKZKNB-LPEHRKFASA-N 198.310 1.721 30 20 ADED CCCNN=Cc1c(C)noc1CC 901166743 ILZBJHDYTRYTHE-UHFFFAOYSA-N 195.266 1.879 30 20 ADED C=CCCC[C@H](N)C(=O)N1CCCC1 911897135 ZWFNTQKHDXBMST-JTQLQIEISA-N 196.294 1.292 30 20 ADED CCC(=O)CCN1CCC[C@H](C#N)C1 932149162 XSKPPJBEMDMLEJ-SNVBAGLBSA-N 194.278 1.591 30 20 ADED C#CCN(C[C@H](O)CC)C(C)C 932388152 WMQULXGZZKKRQZ-SNVBAGLBSA-N 169.268 1.101 30 20 ADED C#CCCCc1nnc(CC2CC2)o1 1118371920 KEWSEOIWLVASHM-UHFFFAOYSA-N 190.246 1.978 30 20 ADED C=CCCCC(=O)NCCNC(C)C 1133154385 IHFPJYDYOPOCHU-UHFFFAOYSA-N 198.310 1.457 30 20 ADED CC(C)N(C[C@H](O)CC#N)C(C)C 1332716586 OGUWUAOAQCHHFM-SNVBAGLBSA-N 184.283 1.380 30 20 ADED C=C(CC)C(=O)N[C@@H](C)c1ncon1 1347103215 SPHOOVYUKGKVAA-ZETCQYMHSA-N 195.222 1.213 30 20 ADED CCN(OC)C(=O)C#CC(C)(C)C 1347836505 LXJHRRSMXQFWIK-UHFFFAOYSA-N 183.251 1.446 30 20 ADED C[C@@H](C#N)C(=O)N1C[C@H]2CCCC[C@H]21 1583702253 JBALTRBTZLTRBV-IVZWLZJFSA-N 192.262 1.547 30 20 ADED C#CC[C@H](N[C@H](C)CCCC)C(=O)O 1602695112 XQGLNHHQPNZDQZ-ZJUUUORDSA-N 197.278 1.631 30 20 ADED CC(CCC(=O)O)=NOCC1CC1 1609738265 YONWCOOPAHHHGX-UHFFFAOYSA-N 185.223 1.654 30 20 ADED N#CCC(=O)NCCc1cccs1 19425886 AAZXLBWBJXTIET-UHFFFAOYSA-N 194.259 1.320 30 20 ADED CN(CCC#N)[C@@H]1CCCC[C@@H]1O 37691600 RVDLEYFYVJGPID-ZJUUUORDSA-N 182.267 1.135 30 20 ADED CC[C@H](C(=O)O)N(CC)C[C@@H](C)C#N 42447559 XBFSUJBABIDYJU-DTWKUNHWSA-N 198.266 1.331 30 20 ADED CCN(CC#N)Cc1ccncc1 42515783 TXWWRNICZAJYBD-UHFFFAOYSA-N 175.235 1.427 30 20 ADED CCCCN1CCO[C@@H](C#N)C1 82474099 LWDQWCQHQVWZMP-VIFPVBQESA-N 168.240 1.011 30 20 ADED CC[C@]1(C#N)CCCC1=O 83776663 OAKYMGDEPIRDNJ-MRVPVSSYSA-N 137.182 1.659 30 20 ADED C#CCN(CC)C[C@@H](C)CC 86438436 OWMMWHAANRVMBP-JTQLQIEISA-N 153.269 1.988 30 20 ADED C=C[C@@H](N)c1ccc(O)cc1 95643307 YVLLLFDQHSKYMV-SECBINFHSA-N 149.193 1.578 30 20 ADED Cc1c(N)cc(F)cc1C#N 96321206 AEYJHDZEKHTIHJ-UHFFFAOYSA-N 150.156 1.588 30 20 ADED in-vitro N/C(=N/O)c1coc2ccccc12 116323298 FXDBPIBULRBTSD-UHFFFAOYSA-N 176.175 1.527 30 20 ADED C=C[C@H](C)N[C@H](C)C1CCOCC1 122996260 DGADBUVLSGGTSS-VHSXEESVSA-N 183.295 1.966 30 20 ADED C=CCC[C@H](C)N[C@H](CC)CO 126708864 DLHDRVJCQSFBFT-VHSXEESVSA-N 171.284 1.702 30 20 ADED C#CCN(C)C(=O)c1ccsc1 130684748 UHYXMGZSEHTEKT-UHFFFAOYSA-N 179.244 1.453 30 20 ADED CSCCN(C)CCC#N 135828859 QKUJOPSQDMNVAN-UHFFFAOYSA-N 158.270 1.195 30 20 ADED CCNC(=S)N(CC)C[C@H](C)C#N 136261055 CTEPJIMFZGLTBI-MRVPVSSYSA-N 199.323 1.362 30 20 ADED C=C[C@H](C)N[C@H]1CCN(C)[C@H](C)C1 157221274 LMWYDTWLFPXIGO-AXFHLTTASA-N 182.311 1.633 30 20 ADED CC[C@@H](C)C(=O)NCC(C)(C)C#N 163789583 LRMJSQYABCKPJZ-MRVPVSSYSA-N 182.267 1.698 30 20 ADED CC[C@@H](CC#N)NC(=O)COC(C)C 165010187 HFPSCDGGNNJRJG-VIFPVBQESA-N 198.266 1.220 30 20 ADED C=C(C)CNC(=O)[C@@H]1CCCOC1 167672040 OWSPIHRQJRJHND-SECBINFHSA-N 183.251 1.105 30 20 ADED C#CCN(C)C1Cc2ccccc2C1 198001033 MMAXYGJNDKHJET-UHFFFAOYSA-N 185.270 1.719 30 20 ADED C=CCCC(=O)N1CC[C@@H](C)[C@@H](O)C1 221816046 JAXPXRIJSNSPJQ-ZJUUUORDSA-N 197.278 1.182 30 20 ADED CCCOCC(=O)N[C@H](C#N)CCC 227740374 KNQNBTKZXQMAGK-VIFPVBQESA-N 198.266 1.221 30 20 ADED C[C@H](C#N)CNC[C@@H]1C[C@@H]1C 228707551 UAPSDEBDHUWJSF-VGMNWLOBSA-N 152.241 1.392 30 20 ADED CC[C@H](CC#N)NCc1noc(C)n1 231806061 FMTCMBCPGLEEFH-MRVPVSSYSA-N 194.238 1.160 30 20 ADED C[C@H](C#N)NC(=O)c1ccoc1Cl 235189169 HGHDWSHSZLUMNM-RXMQYKEDSA-N 198.609 1.575 30 20 ADED C=C[C@@H](N[C@H](CC)CCC)C(=O)OC 301017688 ILLFDRMZSBXRPS-NXEZZACHSA-N 199.294 1.882 30 20 ADED CC1(C)C[C@@]2(O[C@H]2C#N)C(C)(C)O1 306225280 AVUBTMVARHXBPI-XVKPBYJWSA-N 181.235 1.625 30 20 ADED CC#CCN(C)[C@@H]1CC[C@@H](C#N)C1 306288114 LXHYNUQJKCXQEQ-GHMZBOCLSA-N 176.263 1.634 30 20 ADED C[C@@H]1C[C@]2(O[C@@H]2C#N)[C@@H]1C 306486492 XEZNLSZBCIPBTI-XUTVFYLZSA-N 137.182 1.323 30 20 ADED C[C@H]1C[C@@H]1C(=O)NC1(C#N)CCC1 307146060 NIRAIPBCRMMQJX-YUMQZZPRSA-N 178.235 1.205 30 20 ADED C=CCCC(=O)N(CC)OC 307905397 REBZHHKVUMQLCT-UHFFFAOYSA-N 157.213 1.363 30 20 ADED C=C(Cl)CN(C)CC1(O)CCC1 308175426 ZCKBKKNBOCJGGT-UHFFFAOYSA-N 189.686 1.586 30 20 ADED C#C[C@@H](C)N(C)C(=O)C[C@H](C)SC 308194654 RFEBPTDGBUHLQK-BDAKNGLRSA-N 199.319 1.608 30 20 ADED C#CCN(CC)C(=S)N[C@H](C)CC 308230891 OSJKGDKHONCOLP-SECBINFHSA-N 198.335 1.615 30 20 ADED CCCC1(C(=O)N[C@@H](C)C#N)CC1 308239632 XLZITFZCRYVKTR-QMMMGPOBSA-N 180.251 1.595 30 20 ADED CCC(C)(C)OCCNC(=O)CC#N 308564530 HEBURZIYOGKPIK-UHFFFAOYSA-N 198.266 1.221 30 20 ADED C=C(CC)CNC(C)(C)C(=O)NCC 313072939 IBRDSTDTRSBGKJ-UHFFFAOYSA-N 198.310 1.457 30 20 ADED C[C@@H](C#N)NC(=O)[C@H]1CC12CCCC2 334332225 QMRHFCPXILTGNM-DTWKUNHWSA-N 192.262 1.595 30 20 ADED CC1(C(=O)N[C@@H](C#N)C(C)(C)C)CC1 334853799 VMEGHAKNMJUSFH-QMMMGPOBSA-N 194.278 1.841 30 20 ADED C=C(C)CN(C)[C@@H]1CCSC1 335658009 ROQSJUBSWIYIDT-SECBINFHSA-N 171.309 2.000 30 20 ADED CC#CCN1[C@H](CO)CCC[C@H]1C 336554100 RETPZNUBHSPRER-MNOVXSKESA-N 181.279 1.245 30 20 ADED CO[C@@H](CNC[C@@H](C)C#N)C1CC1 378696160 LBTZSUITOKDXOV-WPRPVWTQSA-N 182.267 1.161 30 20 ADED C/C=C(/CC)C(=O)N[C@@H](C)CC#N 379354982 KCJSOOBSISQCQT-ZKUGPGMGSA-N 180.251 1.761 30 20 ADED C#CCCCN(C)C1(CO)CCC1 379359311 YAWPHEGDGRAVEZ-UHFFFAOYSA-N 181.279 1.247 30 20 ADED C[C@@H]1CCCC[C@@H]1C=NNC(=N)N 379384284 NLPHWUAQBNDYTF-HTQZYQBOSA-N 182.271 1.282 30 20 ADED C[C@H]1CCCC[C@@H]1C=NNC(=N)N 379384285 NLPHWUAQBNDYTF-JGVFFNPUSA-N 182.271 1.282 30 20 ADED CCN(CC#N)C(=O)OC1CCCC1 379534132 KQJREAIPNVDZAR-UHFFFAOYSA-N 196.250 1.911 30 20 ADED C[C@@H](C#N)CN(C)C(=O)C(C)(F)F 382209542 KYOSUBPRPVPMCJ-LURJTMIESA-N 190.193 1.260 30 20 ADED C[C@H](C#N)CNN=Cc1nccs1 382429388 ZJWZYEFPTZHROB-SSDOTTSWSA-N 194.263 1.226 30 20 ADED C=CCN[C@]1(C)CCO[C@H]1C1CC1 388588657 KDRIZULFCHQIKT-WDEREUQCSA-N 181.279 1.720 30 20 ADED CNC(=S)NN=C(C(C)C)C1CC1 388693657 LMUKVZXYNHRBRU-UHFFFAOYSA-N 199.323 1.502 30 20 ADED C=C[C@@H](C)NC(=O)NCCC(C)C 393705996 SMAUJQHSBCTTGV-SECBINFHSA-N 184.283 1.906 30 20 ADED C[C@H]1C[C@H](NCCCC#N)CO1 402272653 DRNBAPDPVDZOFE-IUCAKERBSA-N 168.240 1.057 30 20 ADED C[C@H](C#N)N(Cc1cn[nH]c1)C1CC1 595709866 JGQQLWIWHWBKGV-MRVPVSSYSA-N 190.250 1.286 30 20 ADED Cc1cn(CC2(C)COC2)cc1C#N 610915351 ZZVABSVGQUHTDM-UHFFFAOYSA-N 190.246 1.705 30 20 ADED CC[C@@H](C)N(C)C(=O)NC[C@H](C)C#N 611626842 GNTUZNFVUSISNW-RKDXNWHRSA-N 197.282 1.586 30 20 ADED C=CCC(C)(C)C(=O)NC/C=C/CO 617683116 ZUZOJEZNDMBION-AATRIKPKSA-N 197.278 1.253 30 20 ADED N#CC1(CNC(=O)c2ccc[nH]2)CC1 619545627 GQLOGAFXRFBWHT-UHFFFAOYSA-N 189.218 1.048 30 20 ADED C=CCCO[C@H](C)C(=O)NCC1CC1 620595212 BVDQARIVPGHFPY-SECBINFHSA-N 197.278 1.494 30 20 ADED C=C(C)CN1CC[C@H](C)[C@@H](CO)C1 621362361 WPSPONSSTJHHSP-WDEREUQCSA-N 183.295 1.513 30 20 ADED C=C[C@H](O)C(=O)N[C@H]1CCCC1(C)C 646898913 FIWNXEUCZGLEGP-IUCAKERBSA-N 197.278 1.228 30 20 ADED C=C(C)CCNC(=O)[C@H]1CO[C@H](C)C1 650928182 GVMMJAQUSWMYAL-NXEZZACHSA-N 197.278 1.494 30 20 ADED C=C(CC)CNC(=O)[C@@](C)(O)C(C)C 654373205 WZHPEUSNCVITPX-NSHDSACASA-N 199.294 1.476 30 20 ADED C=C1CCN(CCC[C@H](C)O)CC1 682758171 GILSENWWVJCJGD-NSHDSACASA-N 183.295 1.799 30 20 ADED CC[C@@H](C(=O)O)N(C)CC1(C#N)CC1 691544051 HXPMYEPVIXGRHC-QMMMGPOBSA-N 196.250 1.085 30 20 ADED C#CCN(CC)[C@H](CC(C)C)C(=O)O 695156432 WKQIYGYKYBGOTM-SNVBAGLBSA-N 197.278 1.441 30 20 ADED C#C[C@@H](NC(=O)N[C@H](C)CC)C(C)C 704138156 HASGEDCCYKVOMJ-NXEZZACHSA-N 196.294 1.742 30 20 ADED N#CCN(CCCCC(=O)O)C1CC1 738425168 CIYMENXYILZKAA-UHFFFAOYSA-N 196.250 1.229 30 20 ADED CON(C(=O)[C@@H](C)C#N)C1CCCC1 757640663 SVZQFDBFGSBBAA-QMMMGPOBSA-N 196.250 1.479 30 20 ADED CCON=Cc1ccc(O)c(O)c1O 767462235 IDYILVWGDHQIKX-UHFFFAOYSA-N 197.190 1.174 30 20 ADED C#CCCCN(C)C1CC(OCC)C1 805819337 RZYDTRJEPCUUEA-UHFFFAOYSA-N 195.306 1.899 30 20 ADED COC[C@H](C)[C@H](C)C(=O)O[C@@H](C)C#N 812623608 KMGPIRBSKYPUMP-CIUDSAMLSA-N 199.250 1.360 30 20 ADED C[C@H](O)CNN=C1CC[C@@H](C)C[C@H]1C 814962638 PGTULPIFANJFTM-BBBLOLIVSA-N 198.310 1.769 30 20 ADED CCO/C=C\C(=O)N(C)[C@H](C)CC#N 816944704 JDXQJNXKPSWCGM-JGAIRUGNSA-N 196.250 1.297 30 20 ADED C=CCCC(=O)OC/C=C(\C)C(=O)O 825665115 UVOLZEFVCIXDJW-SOFGYWHQSA-N 198.218 1.527 30 20 ADED C=CCNN=C1CCOC2(CCC2)C1 834977261 IZNZOZSKJRDYDZ-UHFFFAOYSA-N 194.278 1.851 30 20 ADED C=CCCC(=O)OCC(C)(C)OC 835504013 KHLQRYRQAPVNRB-UHFFFAOYSA-N 186.251 1.921 30 20 ADED C#CCOC(=O)c1ccc(C)c(C)n1 840601093 JXSJIZFAHMUALS-UHFFFAOYSA-N 189.214 1.488 30 20 ADED CCO/C=C\C(=O)N[C@H](C#N)C(C)C 841163835 AMBMFBKTQVAWIG-SSJHQANKSA-N 196.250 1.201 30 20 ADED CC#CC(=O)N[C@H](CC)[C@H]1CC1(C)C 841451263 PTDJUJZTWHOPMK-NXEZZACHSA-N 193.290 1.951 30 20 ADED C[C@@H](O)CN(C)N=CC1CCCCC1 841655884 ZMRWCYPTMXUYPB-SNVBAGLBSA-N 198.310 1.865 30 20 ADED C#CC(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2 848292896 WALVHEXZEJWMBT-GARJFASQSA-N 189.258 1.338 30 20 ADED Cc1nn(C)cc1CON=CC1CC1 853736173 OUGXFHYKJRKRSD-UHFFFAOYSA-N 193.250 1.641 30 20 ADED C[C@@H](C=NN1CCOC1=O)CCC#N 863162847 CNOXHLHOMDRDHF-MRVPVSSYSA-N 195.222 1.364 30 20 ADED C#CCCOC(=O)NC(CF)CF 885414273 WBFBVGKGVRIZFE-UHFFFAOYSA-N 191.177 1.044 30 20 ADED C=CC1(OC(=O)[C@@H](C)OC)CC1 893365003 FLPQFUJCQRDBJQ-SSDOTTSWSA-N 170.208 1.283 30 20 ADED C[C@@H]1C[C@@H]1C=NN[C@@H]1CCCC[C@H]1O 901339524 VELNRUNDOXTBAB-GWOFURMSSA-N 196.294 1.521 30 20 ADED C=CCNC(=S)N(C)CCCF 905600531 QXEZPTIYLLLRSY-UHFFFAOYSA-N 190.287 1.338 30 20 ADED C=CCOC(=O)[C@H]1CCO[C@H]1C(=C)C 923166990 SRMLLEAKSHGFMB-UWVGGRQHSA-N 196.246 1.697 30 20 ADED C=CC[C@@H](C)N[C@H](C)c1cnnn1C 925432850 VACFOPHQPQLQDP-RKDXNWHRSA-N 194.282 1.430 30 20 ADED C=C(CC)C(=O)NOCC(F)(F)F 1123664701 PNBQKBLJTFYAAV-UHFFFAOYSA-N 197.156 1.563 30 20 ADED CCC[C@H](CC)NC(=O)C#CCOC 1328748684 WZBDRGQUBJTHTF-JTQLQIEISA-N 197.278 1.331 30 20 ADED C=C(CC)C(=O)NCCN(C)C1CC1 1346227954 FCDSXSQQJAICLL-UHFFFAOYSA-N 196.294 1.163 30 20 ADED C=CC[C@@H](NCC1(C)CC1)C(=O)O 1602842227 LROCQIIMBCWNOQ-MRVPVSSYSA-N 183.251 1.405 30 20 ADED C=CCCCN(C)C[C@@H]1C[C@H]1C(=O)O 1776173875 OGUYBJRGMBRYRM-VHSXEESVSA-N 197.278 1.605 30 20 ADED O=C1CCCC[C@H]1S 13540475 GSDIICCYVAIIOY-ZCFIWIBFSA-N 130.212 1.428 30 20 ADED C=CCN1CCC[C@H]1COC 39147590 MITYKHYUZZPYIB-VIFPVBQESA-N 155.241 1.283 30 20 ADED CC(C)CCOCCNCCC#N 45106883 JQWCRPWCYJHXOQ-UHFFFAOYSA-N 184.283 1.552 30 20 ADED C[C@H](CC#N)NC(=O)CC1CCCC1 50391155 ALUJXCFLLIJGIA-SECBINFHSA-N 194.278 1.985 30 20 ADED C[C@H](C#N)CNCc1cccc(O)c1 54180352 IQDVXYABTAMGSP-SECBINFHSA-N 190.246 1.641 30 20 ADED CCC[C@@](C)(NCCC#N)C(=O)O 61895217 RUVVRXAPZHPMIF-SECBINFHSA-N 184.239 1.133 30 20 ADED C#CCNC(=O)CC1=CCCCC1 82457520 VUGWVWBFOLJYCA-UHFFFAOYSA-N 177.247 1.626 30 20 ADED C[C@@H](SCC1(CC#N)CC1)C(=O)O 83853236 KPWFOPZEZHLBAD-SSDOTTSWSA-N 199.275 1.887 30 20 ADED CCNc1cc(C#N)ccc1[N+](=O)[O-] 95616521 HMYDGZFDJAIONB-UHFFFAOYSA-N 191.190 1.898 30 20 ADED CCCCCCCCOCC(N)=O 105743493 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C=CCNC(=O)CC[C@H]1CCCCO1 82686984 JBCNADROOLEVFN-SNVBAGLBSA-N 197.278 1.638 30 20 ADED C#CCOCC(F)(F)F 114193650 NNNZUBXDVPVYFI-UHFFFAOYSA-N 138.088 1.199 30 20 ADED CC#CCCN(CC)CC(C)(C)O 158343036 GWPLFRRQIOVVAG-UHFFFAOYSA-N 183.295 1.493 30 20 ADED C=CCNc1ccc([N+](=O)[O-])c(C)n1 161493893 VNZYCYIMSNZOPP-UHFFFAOYSA-N 193.206 1.896 30 20 ADED CC#CCN[C@@H]1CC(C)(C)OC1(C)C 162001443 CTGUSFKXLMEJPZ-SNVBAGLBSA-N 195.306 1.945 30 20 ADED C#C[C@]1(O)CCc2cc(F)ccc21 162755161 BBWIMYATBVYXHE-NSHDSACASA-N 176.190 1.593 30 20 ADED C=C(C)CN(C)[C@@H]1CCCC[C@@H]1O 163254919 IGVXHINHRZKNII-MNOVXSKESA-N 183.295 1.798 30 20 ADED C#CCCCCNCc1ccn(C)n1 165939833 GCKNJAPFDNUIGA-UHFFFAOYSA-N 191.278 1.313 30 20 ADED C#C[C@@H](C)NCc1ccc(C(=O)O)o1 166347538 VUBPHHWQCSJYDL-SSDOTTSWSA-N 193.202 1.089 30 20 ADED C#C[C@H](C)Nc1ccncc1C(=O)O 166871113 FWMRNBMBZOIOJT-ZETCQYMHSA-N 190.202 1.213 30 20 ADED C=C(C)CCN(C)CCCC(=O)O 169069863 IADUAEIVRSEOJA-UHFFFAOYSA-N 185.267 1.749 30 20 ADED N#Cc1ccc(-n2nccc2CN)cc1 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CKRIONRDSYKZCQ-QMMMGPOBSA-N 194.303 1.817 30 20 ADED CCOCCC=NOCCOCC 308316942 XNZMWDTWVFIQNM-UHFFFAOYSA-N 189.255 1.452 30 20 ADED CCN(CCC#N)C[C@H]1CCSC1 308390814 ZIRISYGYUSWBSR-SNVBAGLBSA-N 198.335 1.975 30 20 ADED C=CCN(C)C(=O)[C@H]1CCCCO1 308480977 NETLLJAYRPEUDG-SECBINFHSA-N 183.251 1.200 30 20 ADED C[C@@H](C[C@H]1CCOC1)NCCCC#N 308560758 FBVNTUFRODNZNE-WDEREUQCSA-N 196.294 1.695 30 20 ADED C#CCCCN[C@H](CC)[C@@H]1CCCO1 308728548 HZZDJJIKDDPMDE-NEPJUHHUSA-N 195.306 1.947 30 20 ADED C=C(C)[C@H]1OCC[C@H]1c1nc(C)no1 334781580 DROBJPINSFTXSD-RKDXNWHRSA-N 194.234 1.827 30 20 ADED C=C(Cl)CNC(=O)[C@H](F)C(C)C 379318649 MDCBBAYTLJFMQR-SSDOTTSWSA-N 193.649 1.849 30 20 ADED C#CCCOC(=O)c1cccs1 379329887 WJHXOFLWWYVNRJ-UHFFFAOYSA-N 180.228 1.928 30 20 ADED CON=CCCC1CCOCC1 379330428 XEURNXZGFYQTIL-UHFFFAOYSA-N 171.240 1.825 30 20 ADED COC[C@H](C)NN=C1CCC[C@@H]1C 379392040 RCJNETIWLNRIBZ-IUCAKERBSA-N 184.283 1.787 30 20 ADED C[C@H](CCO)N[C@@H]1CCC[C@@H](C#N)C1 379573896 JLJMBRSNZVQJQF-GMTAPVOTSA-N 196.294 1.429 30 20 ADED C=CCCCN[C@@H](C)c1nnc(C)o1 379593635 BWNHZRDKBGXDPM-QMMMGPOBSA-N 195.266 1.995 30 20 ADED C=C[C@H](CO)N[C@@H]1CC[C@H](C)[C@H](C)C1 379599345 JDRBLZFSWKNZIT-IRCOFANPSA-N 197.322 1.948 30 20 ADED C=C[C@H](NC/C=C/CC)C(=O)OC 384733702 KGZAXPPIZCRNBE-UCUJLANTSA-N 183.251 1.270 30 20 ADED C[C@H](O)C#Cc1cncc2ccccc12 585144664 XNMJRGIPXXYLDL-JTQLQIEISA-N 197.237 1.967 30 20 ADED CC[C@H](C)OCC(=O)N(C)[C@H](C)C#N 590994059 OIYTZBZIGUHDOS-BDAKNGLRSA-N 198.266 1.172 30 20 ADED N#CCCN1O[C@H]2C=C[C@H]1CC2 603030515 RYJSAEYEALTUKF-IUCAKERBSA-N 164.208 1.234 30 20 ADED COc1cc(CN(C)CC#N)ccn1 611140388 ZEJBQOWJMQMNAU-UHFFFAOYSA-N 191.234 1.046 30 20 ADED C[C@]1(C#N)CCCN(CCCC#N)C1 612155040 KDLPNDGZNZLCKC-LLVKDONJSA-N 191.278 1.916 30 20 ADED C[C@@]1(C#N)CCCN(CCCCO)C1 612166388 QNYSZKIQGRVAMO-NSHDSACASA-N 196.294 1.385 30 20 ADED C=C[C@H](O)C(=O)N(CC)[C@H](C)CC 616975960 KSUPWUSASMUSPV-BDAKNGLRSA-N 185.267 1.180 30 20 ADED C=CC[C@@H](C)[C@H](C)NCC(C)(C)N 643513107 DQPYXTQTRTYMIY-ZJUUUORDSA-N 184.327 1.914 30 20 ADED C=C[C@@H](O)C(=O)NCCCC(C)C 646646053 WYYTVQVZIGEAEE-SECBINFHSA-N 185.267 1.086 30 20 ADED CC#CCN(C)C(=O)[C@H]1C[C@H]1C 647542138 NZVOLBJQMKKSGZ-BDAKNGLRSA-N 165.236 1.124 30 20 ADED C=CCN[C@@H]1CCCO[C@H]1C=C 650075857 RPMKEGDQDJTXDH-ZJUUUORDSA-N 167.252 1.496 30 20 ADED C=CCN(C(=O)CC)[C@H](C)COC 657073270 JVNWQVSGPBLUSF-SECBINFHSA-N 185.267 1.446 30 20 ADED C[C@H]1COc2ccc(C(=O)NO)cc21 671995906 LIHUWBUHNVKGSE-LURJTMIESA-N 193.202 1.302 30 20 ADED C=C(C)CNC(=O)NCc1ccco1 681660243 UYOGADZASURQEG-UHFFFAOYSA-N 194.234 1.655 30 20 ADED C=CCCN(C)C[C@H](C)OC 682435049 IKPVNGSIXMTQPR-VIFPVBQESA-N 157.257 1.529 30 20 ADED C=C(C)CN1CCC[C@@](C)(CO)C1 685969833 NUKMEFURAZTCDL-LLVKDONJSA-N 183.295 1.657 30 20 ADED C=C[C@H](NCCC(C)(C)F)C(=O)O 698235481 FDNMDMWWYLEDAE-ZETCQYMHSA-N 189.230 1.353 30 20 ADED C=C(Cl)CN1CC[C@@H](CCN)C1 710536923 AZPKYXPCRJSGIE-SECBINFHSA-N 188.702 1.410 30 20 ADED C#CCCCNC(=O)NC1CC(C)C1 753009211 PVZOIIXINUBSFH-UHFFFAOYSA-N 194.278 1.498 30 20 ADED C=CCCCC(=O)N[C@]1(C)CCOC1 756208690 SWNJKEBGRUBOFO-LLVKDONJSA-N 197.278 1.638 30 20 ADED C=CCCCOC(=O)Cc1cc[nH]n1 787783501 OZMRZFJQKCAJMW-UHFFFAOYSA-N 194.234 1.462 30 20 ADED C#C[C@@H](CCC)NC(=O)c1cc[nH]c1 791741111 XHHDAUXEACYGRY-JTQLQIEISA-N 190.246 1.546 30 20 ADED CC[C@H](C)CON=Cc1cnn(C)n1 814939327 NCXSJWHYRJKUKW-QMMMGPOBSA-N 196.254 1.212 30 20 ADED C=C=CCNC(=O)c1ccc(C#N)cn1 816699029 VSNBXZZOIBFTFV-UHFFFAOYSA-N 199.213 1.024 30 20 ADED C#C[C@@H](C)NC(=O)N(CC)C1CC1 820440385 JMFYQAMAZCXURD-MRVPVSSYSA-N 180.251 1.202 30 20 ADED C#Cc1cnc(NC2CC=CC2)nc1 827760593 KZNCGIHSCXRXDS-UHFFFAOYSA-N 185.230 1.588 30 20 ADED C#CCNN=C[C@@]1(C)CCCS1 835008644 JDLMQPXAGMIDOW-SECBINFHSA-N 182.292 1.481 30 20 ADED C=C(CC)CNC(=S)NCCC 840826929 XRVKQPOIUSMBCN-UHFFFAOYSA-N 186.324 1.827 30 20 ADED CC[C@H](C)NN=Cc1ccc(O)nc1 841636614 CDPTWALHYSVNDC-QMMMGPOBSA-N 193.250 1.509 30 20 ADED CC(C)CCC=NN1CCC[C@H]1CO 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20 ADED Cc1csc(NC(=O)[C@H](C)C#N)n1 44812286 KMTBNRSCYZJIHN-RXMQYKEDSA-N 195.247 1.550 30 20 ADED CCC[C@H](C)C(=O)NCCC#N 54156725 OBGTXVQZPWZRPP-QMMMGPOBSA-N 168.240 1.452 30 20 ADED C#CCCN(C)Cc1scnc1C 82637232 KMWDIKKZPBQPKP-UHFFFAOYSA-N 194.303 1.907 30 20 ADED C[C@@H]1CN(CCCC#N)C[C@@H]1C 85697331 IGYOWGIPLSOPJW-AOOOYVTPSA-N 166.268 1.878 30 20 ADED N#Cc1cc(F)c(NCCO)c(F)c1 88125003 BVXKFFIQWPTMMX-UHFFFAOYSA-N 198.172 1.241 30 20 ADED C=CCCS(=O)(=O)NCC(C)C 96658728 APHHWJSCWXXIPX-UHFFFAOYSA-N 191.296 1.138 30 20 ADED C=C(C)COCCNCc1cnc[nH]1 131391787 IPTFATAVSYITNY-UHFFFAOYSA-N 195.266 1.092 30 20 ADED C=C(C)COCCNC(=O)[C@H]1C[C@H]1C 131403826 OTVBXFCZMWBKDJ-ZJUUUORDSA-N 197.278 1.351 30 20 ADED Fc1cccc(C[C@H]2CO2)c1F 148327515 RERYIUYOEOHQKB-ZETCQYMHSA-N 170.158 1.906 30 20 ADED COc1ccc(C#N)c(F)c1OC 164638232 WQKRKQDDAUESPS-UHFFFAOYSA-N 181.166 1.715 30 20 ADED N#Cc1ccc(Cl)c(C(N)=O)c1 168242768 MPRIVUDMYFJZND-UHFFFAOYSA-N 180.594 1.311 30 20 ADED C#C[C@H](C)NC(=O)[C@@H]1CCCC1(C)C 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C#CCCNC(=O)NCC/C=C/C=C 883487171 GXQYSPRXZCWKML-FNORWQNLSA-N 192.262 1.441 30 20 ADED C=CCS(=O)(=O)C/C=C\C 906019956 YNZIFVVEXAVFEO-HYXAFXHYSA-N 160.238 1.163 30 20 ADED C(=NNc1ncccn1)c1ccc[nH]1 912973320 SZUQXCCFVVUBER-UHFFFAOYSA-N 187.206 1.251 30 20 ADED N#CC[C@@H](O)CN1C[C@@H]2CCCC[C@@H]21 930895843 YVWMYMYVOADQPK-AXFHLTTASA-N 194.278 1.135 30 20 ADED C=CCNC(=O)[C@@H](F)CC 1120477469 MTVYIDFLASYKAU-LURJTMIESA-N 145.177 1.037 30 20 ADED N#CCCCCNC(=O)[C@H]1C[C@H]1F 1123621137 VMKKKNXVAHMMJG-JGVFFNPUSA-N 184.214 1.154 30 20 ADED C=C(C)CCC(=O)NC[C@@H]1CCOC1 1262600411 AKHNGRLVPKEGLC-JTQLQIEISA-N 197.278 1.495 30 20 ADED CC[C@H](CO)N1CCC[C@@](C)(C#N)C1 1334043809 LQTNDZYEIIXJOU-MNOVXSKESA-N 196.294 1.383 30 20 ADED C=C(CC)C(=O)Nc1nnc(C)s1 1346211018 PBJOOFZCAUUYPE-UHFFFAOYSA-N 197.263 1.751 30 20 ADED C=C(CC)C(=O)N[C@@H](CO)C(C)(C)C 1520113229 VDNGEMMHALSJHJ-VIFPVBQESA-N 199.294 1.476 30 20 ADED C=CCCCCNC1CC(C(=O)O)C1 1573367600 YDPRRFDRPYYBJJ-UHFFFAOYSA-N 197.278 1.796 30 20 ADED 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ADED Cc1cc(NCCC#N)nc(C)n1 306510403 LACAQRIYMPPTFN-UHFFFAOYSA-N 176.223 1.419 30 20 ADED C[C@H](O)CNN=C1CCCCCC1 307049759 KSZRMLPNNNPKSN-VIFPVBQESA-N 184.283 1.667 30 20 ADED C#C[C@@H](C)N(C)C[C@H]1CCCCO1 307166116 NZWUSOKUCXRNPL-GHMZBOCLSA-N 181.279 1.509 30 20 ADED CC#CC(=O)N[C@@H](CC)CSC 307983754 QEPFMELYZSIGKP-QMMMGPOBSA-N 185.292 1.268 30 20 ADED CCN(CCC#N)[C@H](C)CCC#N 308398173 FRWLVMMISPEIJP-SNVBAGLBSA-N 179.267 1.914 30 20 ADED C=CCN(C)C(=O)[C@H]1CC=CCC1 308489951 QQNKVVOVVXBFMY-JTQLQIEISA-N 179.263 1.987 30 20 ADED C=C(C)[C@@H]1OCC[C@H]1CNCC1CC1 308556314 ZNTNXTIGBPAVSB-RYUDHWBXSA-N 195.306 1.967 30 20 ADED CC(C)NC(=O)NCC(C)(C)CC#N 315600758 TUTNWGGPAZEALV-UHFFFAOYSA-N 197.282 1.634 30 20 ADED CC[C@H](CC#N)NC[C@H](O)C(C)(C)C 324468352 GLFNXPFCAGKJNO-ZJUUUORDSA-N 198.310 1.675 30 20 ADED C[C@@H](C#N)N(C)C(=O)C[C@H]1C=CCC1 334370163 VNPXKMWGQVVKOP-UWVGGRQHSA-N 192.262 1.713 30 20 ADED C[C@@H]1C[C@]1(C#N)C(=O)N1CCCCO1 336265741 OKNNBYAIVDVASH-PSASIEDQSA-N 194.234 1.090 30 20 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CSC[C@H](C)C(=O)O[C@H](C)C#N 379338793 PNJVRACKPWMKLO-NKWVEPMBSA-N 187.264 1.441 30 20 ADED Cc1cnc(NCCCCC#N)s1 379370678 GOUIUGOCJSHSPR-UHFFFAOYSA-N 195.291 2.557 30 20 ADED Oc1cccc(C=NNC2CC2)c1 379377501 XVJGDICBYGZJDN-UHFFFAOYSA-N 176.219 1.478 30 20 ADED COC[C@H](C)NN=C(C)CC1CC1 379392649 SIGMTYYSINNPGJ-VIFPVBQESA-N 184.283 1.787 30 20 ADED C=C[C@H](CO)NCc1ccc(O)cc1 379620079 DHSDDJHMKCSIQR-SNVBAGLBSA-N 193.246 1.029 30 20 ADED CC(CC1CCC1)=NN[C@@H](C)CO 388593834 BSQUANSWEYRSFM-VIFPVBQESA-N 184.283 1.523 30 20 ADED C=CCC(C)(C)CN=c1cncc[nH]1 393671184 LHSJNNNYRGLFDJ-UHFFFAOYSA-N 191.278 1.913 30 20 ADED C[C@@H]1CC(F)(F)CCN1CC#N 528772129 ZQWWRLKORRQCRU-SSDOTTSWSA-N 174.194 1.630 30 20 ADED Cc1ncnc(C#CC2CC2)c1C 585143597 CQAPKIZKBYHNAW-UHFFFAOYSA-N 172.231 1.855 30 20 ADED C[C@H](C(=O)N1CC(C#N)C1)C1CC1 590489343 XKIYIJSVFSJFAG-ZETCQYMHSA-N 178.235 1.014 30 20 ADED CC#CCN(C)C(=O)[C@@H](CC)SC 590531438 LDFIVVMMGYNTCH-SECBINFHSA-N 199.319 1.610 30 20 ADED C=CCOCC(=O)N1CCCC[C@H]1C 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C[C@@H]1COC[C@@H]1NC[C@H](C)CCC#N 896737663 UTNAWXXCRRKLAE-MXWKQRLJSA-N 196.294 1.551 30 20 ADED C=CC[S@@](=O)CC[C@H]1CCCO1 905224664 RCZICOGVXBSCAJ-BXKDBHETSA-N 188.292 1.490 30 20 ADED C=CCOCCn1cc(C)sc1=O 920331988 LIBMCHXFKRWMKA-UHFFFAOYSA-N 199.275 1.421 30 20 ADED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 928044607 YHDPICZDAPLPNL-MQIGXGKASA-N 192.262 1.307 30 20 ADED C#CCCOC(=O)N[C@@H](C#C)CCC 1329783911 IDGHRBWFIXLTEA-JTQLQIEISA-N 193.246 1.538 30 20 ADED C=C(CC)C(=O)NC/C=C/Cl 1349588393 RVWVUPSKCGENFY-SNAWJCMRSA-N 173.643 1.821 30 20 ADED C=CC[C@H](NCCCCC#N)C(=O)O 1602841692 DEGYPVJPMRRJKO-VIFPVBQESA-N 196.250 1.299 30 20 ADED C=C(C)CN1[C@H](C(=O)O)[C@H]2CC[C@@H]1C2 1776140016 KCDCKVWBSURRGR-AEJSXWLSSA-N 195.262 1.500 30 20 ADED C=CCN[C@@H]1CCCC[C@H]1OC 37185061 SGIJTQRGXVXDMO-NXEZZACHSA-N 169.268 1.720 30 20 ADED C=C(Cl)CS(=O)(=O)CC 38282304 QBSYPZBQAAQUES-UHFFFAOYSA-N 168.645 1.174 30 20 ADED C#CCNc1ccc(C(=O)O)o1 50907793 VDTUSUMYZVSUIA-UHFFFAOYSA-N 165.148 1.023 30 20 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1.414 30 20 ADED C=CCCOCCN[C@H]1CCO[C@H]1C 131554724 YBNRVQDGEDRZKF-QWRGUYRKSA-N 199.294 1.346 30 20 ADED C=CCCCN[C@@H](C)[C@@H]1CCOC1 158538335 COIWIPAEFTZYMA-WDEREUQCSA-N 183.295 1.967 30 20 ADED C[C@@H](CC#N)N(C)c1ncc(F)cn1 158645878 KJELMCVPMRAMLF-ZETCQYMHSA-N 194.213 1.354 30 20 ADED C#C[C@H](C)NC(=O)Cc1cccs1 165230330 XPOPUHJLCVHHDZ-QMMMGPOBSA-N 193.271 1.429 30 20 ADED C=CCNC(=O)c1cnc(Cl)cn1 225926813 XNXHXWBOCMENEV-UHFFFAOYSA-N 197.625 1.046 30 20 ADED C=C(C)CNc1cc(F)ncn1 229341870 NYZBONNOYUXGQY-UHFFFAOYSA-N 167.187 1.604 30 20 ADED C=C[C@H](C)N[C@@H](C)[C@@H]1CCCO1 230395671 WITLWKSVZHPKFX-GUBZILKMSA-N 169.268 1.718 30 20 ADED C#CCCCNc1ncccc1C#N 230920175 FFUNTSJUUUACCW-UHFFFAOYSA-N 185.230 1.779 30 20 ADED O=C1C=CC(=O)C12CCCCC2 238639386 FTDPILJSWFCJMZ-UHFFFAOYSA-N 164.204 1.645 30 20 ADED CC[C@@]1(C#N)C[C@H]2CC[C@H]1O2 251310413 VDKQBWDRWIVNJP-HLTSFMKQSA-N 151.209 1.858 30 20 ADED C#C[C@H](N[C@@H](C)[C@H]1CCOC1)C(C)C 300839428 DBOYNSCQBBBSBO-SRVKXCTJSA-N 195.306 1.659 30 20 ADED C[C@@H](C#N)C(=O)N1CCC(F)(F)C1 306442230 KGJMITGUCXVZEE-LURJTMIESA-N 188.177 1.014 30 20 ADED C#CC(=O)N[C@H]1CCC[C@@H](CC)C1 307104432 IZOHYPASAUKLOT-ZJUUUORDSA-N 179.263 1.705 30 20 ADED C=CCN(CC#CC)C1CC1 307560837 IMSMYJUEDGNNAW-UHFFFAOYSA-N 149.237 1.660 30 20 ADED CCON=C[C@H]1CCOC1 307803530 ZMXXUEGJEXJRII-SSDOTTSWSA-N 143.186 1.045 30 20 ADED C#C[C@@H](C)NC(=O)/C=C/C=C\C 307922994 JJWIYUBFUGTMEH-BGIYSRCSSA-N 163.220 1.257 30 20 ADED CC(C)[C@@H](F)C(=O)O[C@H](C)C#N 307961317 LQENBIXVEZSVER-RNFRBKRXSA-N 173.187 1.436 30 20 ADED CC(C)C=NNC(=S)NC(C)C 308100873 GCQDDEZHALOIFX-UHFFFAOYSA-N 187.312 1.501 30 20 ADED C#CCCCC(=O)N1CCCCO1 308199264 WIPWPAVLXWBTFH-UHFFFAOYSA-N 181.235 1.344 30 20 ADED CC#CCSCCN1CCOCC1 308256406 JTNLJXXEOHULLL-UHFFFAOYSA-N 199.319 1.075 30 20 ADED C=CCN(C)C(=O)N(C)CC(C)C 308334582 NBJKXHMZLMWPMH-UHFFFAOYSA-N 184.283 1.812 30 20 ADED CCC[C@@H]1CN(CCC#N)CCO1 308397270 FCCQALZQCUORSN-SNVBAGLBSA-N 182.267 1.401 30 20 ADED C#C[C@H](CC)N[C@@H](C)C[C@@H]1CCOC1 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C=CCNC(=O)CN(C)C(C)(C)C 646087797 YIIKDGDTZJYQTR-UHFFFAOYSA-N 184.283 1.019 30 20 ADED C=CCCNC(=O)N[C@H](C)CC=C 660681292 MNZSKYREEKEKLP-SECBINFHSA-N 182.267 1.826 30 20 ADED C=CC[C@H]1CCCN(C[C@H](C)CO)C1 661383292 ZSSZCPRAFCKYOC-RYUDHWBXSA-N 197.322 1.903 30 20 ADED C=C(C)CCN(C)CCN1CCCC1 681404582 YKMAXRYIZBSJBA-UHFFFAOYSA-N 196.338 1.980 30 20 ADED C=CCN(C)C(=O)C1(C)CCOCC1 681674556 QFFZLHWDUZTTEJ-UHFFFAOYSA-N 197.278 1.448 30 20 ADED C=CCN(CCOC)C[C@H](C)OC 683041283 SARYZXOTTCJYPG-JTQLQIEISA-N 187.283 1.156 30 20 ADED C=CCC[C@H](O)CN1CCOC[C@H]1C 683527781 MCNDTBOHQDSTJN-MNOVXSKESA-N 199.294 1.034 30 20 ADED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCC 685562963 RVRGJWYMXBLPMO-ONGXEEELSA-N 199.294 1.618 30 20 ADED Cc1cccc(C=NN[C@H](C)CO)c1 749822457 WIRXBKNPDUWKQW-SNVBAGLBSA-N 192.262 1.299 30 20 ADED C=CCNC(=O)[C@H](F)c1ccccc1 768967798 QCCMPEMXHCXPBT-SNVBAGLBSA-N 193.221 1.999 30 20 ADED CC(C)C#CC(=O)NC[C@@H](C)C1CC1 823589601 HBSPEAPFRGPVEF-SNVBAGLBSA-N 193.290 1.808 30 20 ADED C=C[C@H](CC)CC(=O)NC[C@H](C)OC 825139769 DEIYJHHEXPEVHD-VHSXEESVSA-N 199.294 1.740 30 20 ADED C=CCN(C)C(=O)C#CC(C)C 832502571 NVYJPJXMCGVJAF-UHFFFAOYSA-N 165.236 1.290 30 20 ADED CCSCCC=Nn1ccnn1 835011049 JGZRBVUVSWCSLU-UHFFFAOYSA-N 184.268 1.255 30 20 ADED C=CC(C)(C)C(=O)OCC#N 837864988 UWADDWBSGGCWAK-UHFFFAOYSA-N 153.181 1.265 30 20 ADED C=C(C)CONC(=O)[C@@H]1[C@H]2CCC[C@H]21 846537452 MHJMBUIPKIJIDK-MYJAWHEDSA-N 195.262 1.656 30 20 ADED C=CCON=C1CCCn2ccnc21 848412305 NFPXPOFSHYNKLL-UHFFFAOYSA-N 191.234 1.584 30 20 ADED CCCON=C(C)Cn1cncn1 853368876 RBBMQBQXLCSRTE-UHFFFAOYSA-N 182.227 1.081 30 20 ADED C=CCONC(=O)N[C@]1(C)CC1(C)C 854118091 MXPNKAAYMKLTLP-SNVBAGLBSA-N 198.266 1.592 30 20 ADED CC[C@@H](NC(=O)C#CC(C)C)C1CC1 855855937 JEWHRENSQCOVLO-LLVKDONJSA-N 193.290 1.951 30 20 ADED C[C@H](C#N)CNc1ccnc(CO)c1 858429363 KKAREIMXHOKVDZ-MRVPVSSYSA-N 191.234 1.145 30 20 ADED CC#CCN1CCC[C@H](CF)C1 880233689 ZUKLCLQFIHGUSI-SNVBAGLBSA-N 169.243 1.691 30 20 ADED C#CCSCC(=O)N(C)CC(C)C 888069649 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185.292 1.432 30 20 ADED C#CCCCNC(=O)[C@H](N)CCCC 226678755 GZXVSEADQGTOAJ-SNVBAGLBSA-N 196.294 1.034 30 20 ADED C#C[C@H](CCC)N[C@H](CC)C(=O)OC 228728505 FSYZAESFYMUOEJ-NXEZZACHSA-N 197.278 1.330 30 20 ADED C#C[C@H](C)Nc1cc(F)ncn1 229335503 UDMMZILCRAOLKA-LURJTMIESA-N 165.171 1.049 30 20 ADED CC[C@H](CC#N)NC[C@@H](O)C(C)C 229983141 DUPJSZNVTPKFMI-NXEZZACHSA-N 184.283 1.285 30 20 ADED N/C(=N/O)c1ccc(N)c(Cl)c1 236322747 IYIVBGGMFWABQD-UHFFFAOYSA-N 185.614 1.017 30 20 ADED C#C[C@H](CC)NC[C@@H]1C[C@H]1C 252940522 IRWREWXIZKVIOX-KXUCPTDWSA-N 151.253 1.644 30 20 ADED Cc1[nH]ncc1Nc1cccc(C#N)n1 259642187 GSIRUVOOMVBVFU-UHFFFAOYSA-N 199.217 1.728 30 20 ADED O=CC1(CCO)CCCCC1 306405451 AHJPOCOZKYFRJE-UHFFFAOYSA-N 156.225 1.518 30 20 ADED C[C@@H](O)CN[C@@H]1CCC[C@H](C#N)C1 306445497 SWTSRYKKXDFDMM-KXUCPTDWSA-N 182.267 1.039 30 20 ADED C=CCNC(=O)N1CC[C@H](C)[C@@H]1C 306530726 DWKSHRGJSHMKLG-IUCAKERBSA-N 182.267 1.612 30 20 ADED C[C@]1([C@@H]2C[C@H]3CC[C@H]2O3)O[C@H]1C#N 306993885 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ADED C#CCNC(=S)N(C)CC(C)(C)C 308417780 NRJULRKIXPRAIQ-UHFFFAOYSA-N 198.335 1.472 30 20 ADED CC1(C#N)CN(CC[C@@H]2CCOC2)C1 334517664 DCDWMBFJRNCPOP-SNVBAGLBSA-N 194.278 1.258 30 20 ADED C=CCN(C)C(=O)[C@]1(C)CC1(F)F 335025215 OHPBEXMPTYYWHF-QMMMGPOBSA-N 189.205 1.676 30 20 ADED N#C[C@H]1CC[C@@H](Sc2cnn[nH]2)C1 336255521 UGRWQCRJHCAHNE-NKWVEPMBSA-N 194.263 1.589 30 20 ADED C=C[C@@H](C)NC(=O)Nc1ccnn1C 336589227 LCCJNOWNLUVZME-SSDOTTSWSA-N 194.238 1.116 30 20 ADED CCC(C)=NN[C@@H]1CCCOC1 379313567 IKHVSHLSQBHJQA-SECBINFHSA-N 170.256 1.541 30 20 ADED C#CCOC(=O)[C@@H]1C[C@@H]1C1CC1 379330154 WTKZXUZRAIVAFL-RKDXNWHRSA-N 164.204 1.209 30 20 ADED C#CCN(CC)CC1(C#N)CC1 379338318 IHDWBOUAVIBFAV-UHFFFAOYSA-N 162.236 1.245 30 20 ADED C=C[C@H](COC)N[C@H](C)C1CCC1 379382375 DZFMBWLOFQZLJR-MWLCHTKSSA-N 183.295 1.966 30 20 ADED COC[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 379405727 USZZUXZWSSHJIM-BBBLOLIVSA-N 182.267 1.303 30 20 ADED CC(C)[C@@H]1CCCC(=NNC(=N)N)C1 379488691 QLANANMLOIWORS-MRVPVSSYSA-N 196.298 1.672 30 20 ADED CC[C@H](C)C=Nn1c(C)nnc1S 381843004 FUCYQGMWXFFPFQ-LURJTMIESA-N 198.295 1.755 30 20 ADED C[C@@H]1O[C@H](C)C[C@@H]1NCCCCC#N 384668892 XNJDYLXIBQKTCC-VWYCJHECSA-N 196.294 1.836 30 20 ADED FC(F)(F)CON=Cc1ncc[nH]1 388361195 STMYWCCZTSMHTR-UHFFFAOYSA-N 193.128 1.323 30 20 ADED C=CCN[C@@H](CO)c1ccccc1C 388819500 IQLQAWDMFNOACF-LBPRGKRZSA-N 191.274 1.804 30 20 ADED C#C[C@H](C)NCC1(OC)CCCC1 393714785 LBAWUOCNNJPNGY-JTQLQIEISA-N 181.279 1.557 30 20 ADED CC#CCCNC(=O)CSC1CC1 590699477 XOGVJADHBHLKQM-UHFFFAOYSA-N 197.303 1.412 30 20 ADED CC/C=C/CNC[C@H](C#N)CCC#N 591374995 LEWOTVBVNMXXBL-UFFNRZRYSA-N 191.278 1.986 30 20 ADED C[C@H](CCC#N)N1CCCN(C)CC1 592995916 JFNWGODYTVTBKO-LLVKDONJSA-N 195.310 1.316 30 20 ADED CC[C@H](C#N)C(=O)N1[C@H](C)CC[C@H]1C 593522833 VCYLJBVDPWOISE-OPRDCNLKSA-N 194.278 1.936 30 20 ADED CC[C@@H](C#N)N(C)C(=O)c1ccco1 594101485 WIRBLJKSDMXRRK-QMMMGPOBSA-N 192.218 1.654 30 20 ADED CO[C@H](CNCCC#N)C1CCCC1 596064996 MTBWUHLPMPJCGZ-LLVKDONJSA-N 196.294 1.695 30 20 ADED Cn1ncc(C#N)c1NCCC1CC1 596138217 GWQWBSQFBHNRRS-UHFFFAOYSA-N 190.250 1.504 30 20 ADED COC(=O)[C@@H](C)S[C@H](C#N)C1CC1 601075552 RMZIWHAVQKKSJN-HTRCEHHLSA-N 199.275 1.583 30 20 ADED C[C@@H](CCC#N)CNCCCCCO 602644458 RBNWNZFXHILMHE-NSHDSACASA-N 198.310 1.678 30 20 ADED C=CC[C@@H](C)NC(=O)CCCCOC 604881137 YRTRMSLJADUXJP-SNVBAGLBSA-N 199.294 1.884 30 20 ADED C=CCNC(=O)NC1CC2(CCC2)C1 649499673 FTSVMUKMVCUOSR-UHFFFAOYSA-N 194.278 1.804 30 20 ADED C=C(CC)CNC(=O)[C@H](OC)C(C)C 654373181 QSQPIJWOUKYXMS-SNVBAGLBSA-N 199.294 1.740 30 20 ADED C=C[C@@](C)(O)C(=O)N1CCC(C)(C)C1 669341770 DOOJABIHBQNSMW-LLVKDONJSA-N 197.278 1.182 30 20 ADED C=CCCC(=O)NCCOCC(=C)C 675577568 NXMYTTILQKOUFQ-UHFFFAOYSA-N 197.278 1.662 30 20 ADED C=C[C@H](C)NC(=O)[C@H]1CCO[C@H](C)C1 678950265 BDLIMHUTCCNSSP-AEJSXWLSSA-N 197.278 1.492 30 20 ADED C=CC[C@H](CC)NC(=O)[C@H](C)N(C)C 684987188 BMMKSNPVMTWFNO-UWVGGRQHSA-N 198.310 1.407 30 20 ADED CCCN(CC(=O)O)[C@@H](C)CCC#N 695708087 YGJYOMKQRNGTSO-VIFPVBQESA-N 198.266 1.475 30 20 ADED CC#CC[C@H](CO)NC1CCCC1 717749641 OUNQPRBOEQFTQE-LLVKDONJSA-N 181.279 1.293 30 20 ADED C#C[C@@H](CC)NC(=O)N[C@H](C)CC=C 753151132 PZZYUSBNHAABAY-ZJUUUORDSA-N 194.278 1.662 30 20 ADED CC(C)[C@H](C#N)NC(=O)C=C1CCC1 755350571 UAOSVPWZYOHSJK-JTQLQIEISA-N 192.262 1.761 30 20 ADED COc1nccnc1NN=CC(C)C 763422159 PCJKJRJFMNBVLW-UHFFFAOYSA-N 194.238 1.539 30 20 ADED C=C(CN(C)C)C(=O)NCCCCC 763876593 VJPWENLYLDCMJJ-UHFFFAOYSA-N 198.310 1.411 30 20 ADED C=CCNN=C(C)c1cnn(C)c1C 795003232 GYVVOMNOQQJVFQ-UHFFFAOYSA-N 192.266 1.228 30 20 ADED C[C@H](C#N)OC(=O)C[C@H]1CCCOC1 795913244 LUNOUANETJKJBU-RKDXNWHRSA-N 197.234 1.258 30 20 ADED C=CCCC(=O)OCC[C@H]1CCOC1 816444834 SXSJJDXMFAJPBM-SNVBAGLBSA-N 198.262 1.922 30 20 ADED C=CCNC(=O)C(C)=C1CCC1 823544616 WKBTVRHNVCDVFS-UHFFFAOYSA-N 165.236 1.789 30 20 ADED C1CC2(C1)CC(=NNC1CC1)CCO2 834968372 IPQHVCKQXAOOTG-UHFFFAOYSA-N 194.278 1.828 30 20 ADED C#CCNN=C(C)CCCOC 835008034 PPHWCOUHHVNOKJ-UHFFFAOYSA-N 168.240 1.012 30 20 ADED C=CCONC(=O)/C=C(/C)C1CC1 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C#CCOCCNC(=O)[C@H](C)CCC 784607805 YSKDJVOQSLPDBP-SNVBAGLBSA-N 197.278 1.189 30 20 ADED C#CCCOC(=O)CCCOC(C)C 784839591 LUUZCJPLBGPRJI-UHFFFAOYSA-N 198.262 1.758 30 20 ADED C#CC(C)(C)N(C)C[C@@H]1CC[C@H](C)O1 794579259 XKMUGRAHWVQHOQ-QWRGUYRKSA-N 195.306 1.898 30 20 ADED COCCCON=C[C@@H](C)CCC#N 795051398 RQHICCOYWMWFSH-JTQLQIEISA-N 198.266 1.965 30 20 ADED N#Cc1ccc(C(=O)OCCCF)o1 796143629 GLOFQUKEIIIUDY-UHFFFAOYSA-N 197.165 1.668 30 20 ADED C#CCN(C)C(=O)NCCC=C(C)C 812205404 MFWDILDWYCHOQO-UHFFFAOYSA-N 194.278 1.617 30 20 ADED C#CCCCCNC(=O)NOC(C)C 836359373 YOIMQMSRFOBOAK-UHFFFAOYSA-N 198.266 1.429 30 20 ADED CC(=O)O[C@H]1CCC[C@@H](C#N)C1 839053972 GIJOTSNRENHSSJ-BDAKNGLRSA-N 167.208 1.632 30 20 ADED C=C[C@@H](C)ONC(=O)NC1(C)CCC1 845626374 FXOYXTAVLDPTFT-MRVPVSSYSA-N 198.266 1.734 30 20 ADED C[C@@H]1COC(=O)C1=NOCC1CCC1 853441241 RGVOBZYKKDEQRI-SSDOTTSWSA-N 197.234 1.352 30 20 ADED Cc1nc(CN[C@H](C)CC#N)[nH]c1C 862324885 XODLPPZLVWNNIH-SSDOTTSWSA-N 192.266 1.418 30 20 ADED C#CCCCONC(=N)C1CCC1 871766235 IRCQVUCECHUGFX-UHFFFAOYSA-N 180.251 1.698 30 20 ADED c1cnc(NN=C2CC[C@H]3C[C@@H]23)cn1 872341104 CFKDJRRMGNWAMC-JGVFFNPUSA-N 188.234 1.674 30 20 ADED C=C[C@@H](C)NC(=O)[C@@H]1CCN[C@H](C)C1 885189573 KHEZIHDBHCXXKF-OPRDCNLKSA-N 196.294 1.065 30 20 ADED C[C@H](C#N)C(=O)NC/C=C\Cl 891208766 NFYYYVGLVXAXKZ-VROIDLATSA-N 172.615 1.015 30 20 ADED C=CCCNc1nc(C)cc(N)n1 894518864 QUGLYEDMKHSDAK-UHFFFAOYSA-N 178.239 1.355 30 20 ADED C[C@H](OCC1CC1)C(=O)O[C@H](C)C#N 920780029 MHDJZCIEANHECS-SFYZADRCSA-N 197.234 1.257 30 20 ADED C=CCCCC(=O)NC[C@H]1CCN1C 928563387 LNECLVKWLWMYHA-SNVBAGLBSA-N 196.294 1.163 30 20 ADED C=C[C@@H](C)NC(=O)N[C@H](C=C)COC 1116643150 KGLJKGOPFDWPMM-RKDXNWHRSA-N 198.266 1.061 30 20 ADED C=CCCC(=O)OCC(C)(C)O 1343491457 QCDDZZKWUODOOS-UHFFFAOYSA-N 172.224 1.267 30 20 ADED C=C(CC)C(=O)N[C@H](CC)CCO 1349329332 GWCQWNYSYZUNBB-SECBINFHSA-N 185.267 1.230 30 20 ADED C#CCCCC(=O)N1CCCSC1 1514646492 MKYMOMPNUYDZHO-UHFFFAOYSA-N 197.303 1.713 30 20 ADED C=C(Cl)CNC(=O)[C@H]1C[C@H]1F 1521020126 HCFVQEVZPQQNOD-NTSWFWBYSA-N 177.606 1.213 30 20 ADED C=CCCN[C@@](C)(CCF)C(=O)O 1588807195 BRCGNYRTFVHZPO-VIFPVBQESA-N 189.230 1.355 30 20 ADED C[C@@H](NC1CCC(C#N)CC1)C(=O)O 1594206445 RHZGIOQRYKVBPD-AFPNSQJFSA-N 196.250 1.131 30 20 ADED C[C@@H](CC#N)NC(=O)[C@H]1CC1(F)F 1616985813 MLNBHQNBHCZVKW-NTSWFWBYSA-N 188.177 1.060 30 20 ADED N#CCC1=N[C@@H]2c3ccccc3C[C@@H]2O1 1857788110 SNDALGAJBATMDL-CMPLNLGQSA-N 198.225 1.995 30 20 ADED N#Cc1ccnc(-c2ccco2)n1 1898211376 FSFXFIBXIFUMPB-UHFFFAOYSA-N 171.159 1.608 30 20 ADED C[C@H](C#N)N(C)C(=O)c1ccncc1 44411449 UULWMITUAIVDFI-MRVPVSSYSA-N 189.218 1.066 30 20 ADED C[C@@H](CC#N)NC(=O)c1ccoc1 50336075 UJRAUHRRRVQKSJ-ZETCQYMHSA-N 178.191 1.312 30 20 ADED C#CCCCNC(C)C 53302301 YRDMOMHLEHJEOM-UHFFFAOYSA-N 125.215 1.398 30 20 ADED C/C=C/C(=O)N(C)C[C@@H](C)C#N 82367795 SDHGATHWPDKMNO-ZJELKQJVSA-N 166.224 1.181 30 20 ADED C=CCC[C@H](C)CNC 82763354 DTSZVHAWJSIUAC-QMMMGPOBSA-N 127.231 1.808 30 20 ADED C=CCCN1CC[C@@H](CC(=O)O)C1 84380820 APVBZLGZDUXFBA-VIFPVBQESA-N 183.251 1.359 30 20 ADED CCCCCCCC(=O)NCCN 102008564 UBFQCIKULQHQFM-UHFFFAOYSA-N 186.299 1.422 30 20 ADED N#Cc1ccccc1COCC(=O)O 108234371 RKMPQZVWRCIZED-UHFFFAOYSA-N 191.186 1.159 30 20 ADED C#CC(=O)N[C@@H]1CCC(C)(C)C1 122417853 JGMXZFBOMBZUMX-MRVPVSSYSA-N 165.236 1.315 30 20 ADED C=CCCC(=O)N[C@H](CC=C)C(=O)O 127466158 SWTPOOMQMQRZMY-MRVPVSSYSA-N 197.234 1.098 30 20 ADED C#C[C@H](C)NC(=O)c1ccco1 165227317 VNFFFWKEBCAIHG-ZETCQYMHSA-N 163.176 1.031 30 20 ADED C=C(CC)CN1CCOCC1 168025022 ILIYTTIPZOAFDB-UHFFFAOYSA-N 155.241 1.285 30 20 ADED C=CCN[C@H](CCO)C(C)(C)C 226670235 DNZGZPJFWVHRLC-SECBINFHSA-N 171.284 1.559 30 20 ADED C=CC[C@H](C)N[C@H](C)[C@H](C)OC 228203499 WKKWGAIMBRPVBA-AEJSXWLSSA-N 171.284 1.964 30 20 ADED CC[C@H](C#N)NC(=O)[C@H]1CC1(C)C 228662997 KMELEFWYGLXGDL-HTQZYQBOSA-N 180.251 1.451 30 20 ADED CCN(C[C@H](C)C#N)[C@@H]1CCCOC1 229971465 SKQZKNLBOYGHNH-GHMZBOCLSA-N 196.294 1.647 30 20 ADED C#CCCCNC(=O)[C@H]1C[C@@H]1C 231575272 NSKRGUVBHKYNCW-IUCAKERBSA-N 165.236 1.172 30 20 ADED Cc1cnc(CN[C@H](C)CC#N)o1 231653013 IXLVGHMFCVZASR-SSDOTTSWSA-N 179.223 1.375 30 20 ADED C#C[C@@H](NC(=N)NC(C)(C)C)C(C)C 300877238 IKTWSPDXDQPCPZ-SECBINFHSA-N 195.310 1.557 30 20 ADED Cc1ncsc1NC(=O)CC#N 306296071 WSSYNVWWOHYTNG-UHFFFAOYSA-N 181.220 1.304 30 20 ADED CC#CCNC(=O)N1CCC[C@@H]1C 306303336 COVAHUJJPNLJOL-VIFPVBQESA-N 180.251 1.204 30 20 ADED C1CCC(ON=C2COC2)C1 306340188 KUGNPZHQURFQSM-UHFFFAOYSA-N 155.197 1.332 30 20 ADED C[C@H]1CC(=NNCC(=O)O)C[C@H](C)C1 306800191 OFDMZDRPVGSFHY-HTQZYQBOSA-N 198.266 1.473 30 20 ADED CCON(C)c1ncccc1C#N 307032109 KRPPQXMFARXIBY-UHFFFAOYSA-N 177.207 1.341 30 20 ADED CC#CC(=O)NCC=C(C)C 307753859 XLSMYRUTILJYBW-UHFFFAOYSA-N 151.209 1.092 30 20 ADED CC(C)OC(=O)c1ccc(C#N)[nH]1 307755408 DHDURDQFEUYZKE-UHFFFAOYSA-N 178.191 1.452 30 20 ADED C=CC[C@@H](C)NC(=O)/C=C\C 307899992 OHBJNOKFEUVHRD-GRKOMRHMSA-N 153.225 1.643 30 20 ADED CC#CCOC(=O)/C(C)=C\CC 307979470 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CO[C@@H]1CCC[C@H](N[C@H](C)CC#N)C1 389255469 GBJCHIRPMWPMGI-OUAUKWLOSA-N 196.294 1.836 30 20 ADED CC1([C@@H]2C[C@@H]2C=O)CC1 521400436 MKYODHBEYDHEQO-RNFRBKRXSA-N 124.183 1.622 30 20 ADED N#CC1CN(C(=O)C2=CCCC2)C1 590481781 QTUOXYNMYGAYNL-UHFFFAOYSA-N 176.219 1.079 30 20 ADED C=C(C)CN(C1CC1)[C@@H](C)C#N 595720842 MFZWKIIBZXDYAL-VIFPVBQESA-N 164.252 1.939 30 20 ADED CCOC[C@@H]1CCN(CCC#N)C1 610485321 FJQRDZCFCGPGEJ-SNVBAGLBSA-N 182.267 1.258 30 20 ADED C=C[C@H](O)C(=O)NCC[C@@H](C)CC 617641247 LVEYUPSVPCWUAO-IUCAKERBSA-N 185.267 1.086 30 20 ADED CCC#C[C@H](C)N1CCO[C@@H](OC)C1 639833762 LKKFSRURLIYQRZ-WDEREUQCSA-N 197.278 1.093 30 20 ADED C=CC(C)(C)C(=O)N(C)CC 648135121 VXUSELLBXXLGPI-UHFFFAOYSA-N 155.241 1.677 30 20 ADED C=C(CC)CNC(=O)CC(C)(C)OC 654373112 ISEJUPKTKPEJIO-UHFFFAOYSA-N 199.294 1.884 30 20 ADED C=C(CC)CN1C[C@H](C)[C@@](C)(CO)C1 662147921 WWEHHSLFECVBPR-NWDGAFQWSA-N 197.322 1.903 30 20 ADED C=C[C@@H](C)NC(=O)[C@H](CC(C)C)OC 667215227 DTBRDAODUUGYCT-ZJUUUORDSA-N 199.294 1.738 30 20 ADED C=CCN(C)C(=O)[C@@H](CC(C)C)OC 667380353 UITVLJBZGGTFLI-SNVBAGLBSA-N 199.294 1.692 30 20 ADED CC#CCCNC(=O)CCC(C)(C)O 683866698 CWFGIWCQXAKJTO-UHFFFAOYSA-N 197.278 1.067 30 20 ADED C=C[C@@](C)(O)CC(=O)N(CC)CCC 685602242 LVFKQBVSBKOZID-LLVKDONJSA-N 199.294 1.572 30 20 ADED C#CCCN1CCC[C@H]1C1CC1 685967978 HUKCPPCEIROLGZ-NSHDSACASA-N 163.264 1.884 30 20 ADED C=C(Cl)Cn1cc([C@H](C)O)nn1 710486735 OYDTZTCBSIUPQI-LURJTMIESA-N 187.630 1.084 30 20 ADED C=C[C@@H](C)NCc1cn(CCC)nn1 714434908 OLTMXBCFXRYNKN-SECBINFHSA-N 194.282 1.352 30 20 ADED CC#CC[C@@H](CO)N[C@H](C)CC1CC1 717778129 XHKWABKHYTYVAI-PWSUYJOCSA-N 195.306 1.539 30 20 ADED CC#CCNC(=O)C#Cc1ccccc1 763175248 UMAFYAHTCDBBHU-UHFFFAOYSA-N 197.237 1.178 30 20 ADED C=C(C)CN(C)C(=O)C1(CC)COC1 778130214 OTVMDJBZBGXDHB-UHFFFAOYSA-N 197.278 1.448 30 20 ADED CC#CC(=O)N1CC(C2CCCC2)C1 801299355 QFTBVBSRBSWZLA-UHFFFAOYSA-N 191.274 1.658 30 20 ADED C=CCN(CC=C)CCO[C@H](C)C#N 801914502 JCAUAFBZGGGQDD-LLVKDONJSA-N 194.278 1.589 30 20 ADED CC#CCOC(=O)[C@](C)(O)C1CCC1 812672695 LZJAESFDNNNISM-LLVKDONJSA-N 196.246 1.104 30 20 ADED C[C@H](O)CNN=C[C@H]1CCC[C@@H](C)C1 814963003 ZXVHBZLHGJVPHB-VWYCJHECSA-N 198.310 1.769 30 20 ADED C#C[C@@H](C)NCc1cc(F)ncc1F 824363771 JHRCKVKBTOMNMA-SSDOTTSWSA-N 196.200 1.471 30 20 ADED C=C[C@@H](C)NC(=O)OC1CCC1 830846126 YNUXGPXYVSEKDD-SSDOTTSWSA-N 169.224 1.840 30 20 ADED C=C(Cl)CN(CC)[C@H](C)CO 839603574 BPAIABPGEXUURL-MRVPVSSYSA-N 177.675 1.442 30 20 ADED C=C(C)CONC(=O)CC(C)(F)F 846534942 JRBVHXUADFNWKX-UHFFFAOYSA-N 193.193 1.656 30 20 ADED CC#CCN(C)C(=O)C#CC(C)C 854670976 UMEIOYXEMNSOKA-UHFFFAOYSA-N 177.247 1.128 30 20 ADED C[C@H]1C[C@@H]1C=NN1CCOC1=O 863163272 WKVOQJODFDSQBF-NKWVEPMBSA-N 168.196 1.080 30 20 ADED C=CC(C)(C)CC(=O)OCC#N 884650812 WSVLEUNPPIOEJN-UHFFFAOYSA-N 167.208 1.655 30 20 ADED CCCCN(O)C(=O)[C@@H]1C[C@H]1C 904208151 NUUIGNDFEZNDCZ-HTQZYQBOSA-N 171.240 1.660 30 20 ADED C=C/C=C\CCNC(=S)NCC=C 905516069 AHLBFNXFPFAGJV-WAYWQWQTSA-N 196.319 1.769 30 20 ADED CC(C)(C)C#CC(=O)NC1CSC1 912630551 MQTQISWLCSJIDW-UHFFFAOYSA-N 197.303 1.268 30 20 ADED CCc1ncc(CN(CC)CC#N)o1 929465148 VKEVLMKWYHDLQH-UHFFFAOYSA-N 193.250 1.582 30 20 ADED N#Cc1ccc(N2CC(F)(F)C2)nc1 1336996452 PGJGWZKZZAGIRJ-UHFFFAOYSA-N 195.172 1.409 30 20 ADED C=C(C)[C@@H](C)OC(=O)c1ncccn1 1342652323 LAZRCQYAVORAEP-MRVPVSSYSA-N 192.218 1.598 30 20 ADED C=C(CC)C(=O)N(C)CC(C)(C)OC 1528023627 JXTKYBNETNUUAC-UHFFFAOYSA-N 199.294 1.836 30 20 ADED CC[C@H](C)c1cc(NCC#N)ncn1 1537959815 JVWCFJYPLUEFGS-QMMMGPOBSA-N 190.250 1.926 30 20 ADED N#CCCn1nnc(-c2ccccc2)n1 5516985 UOMGIELJQUNAPC-UHFFFAOYSA-N 199.217 1.254 30 20 ADED C#Cc1cccc(NCC(=O)OC)c1 20034634 YBEXZSNVTLIMHC-UHFFFAOYSA-N 189.214 1.253 30 20 ADED Cc1cccc(N(C)CCC#N)n1 37670413 XMBMZKDVVLNMNQ-UHFFFAOYSA-N 175.235 1.740 30 20 ADED CC[C@H](C#N)NC(=O)CC(C)(C)C 40350698 QTKRONCMARCJTA-MRVPVSSYSA-N 182.267 1.841 30 20 ADED C=CCN(CC=C)[C@@H](CC)C(=O)O 51037498 SGEDZYOPQRQPKS-VIFPVBQESA-N 183.251 1.524 30 20 ADED C/C=C/C(=O)N(CCC#N)C(C)C 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CCC(C#N)(CC)C(=O)NCCOC 44764538 ANQGNHIEGJGOIG-UHFFFAOYSA-N 198.266 1.079 30 20 ADED N#CCCCCn1cc([N+](=O)[O-])cn1 48032614 XPZIOZYWHICYEQ-UHFFFAOYSA-N 194.194 1.485 30 20 ADED C=CCCC(=O)N1CCCC[C@@H]1CN 54400947 VUFWIQRZTIFEKM-SNVBAGLBSA-N 196.294 1.292 30 20 ADED CC[C@@H](C)CN[C@@H](C)CC#N 54471481 ATNGFSWASUHQHN-BDAKNGLRSA-N 154.257 1.924 30 20 ADED C#CCCN[C@H](C)c1cnn(CC)c1 69767962 FNQCCFZQETYKEP-SNVBAGLBSA-N 191.278 1.577 30 20 ADED C=CCCCN1CCCC[C@@H]1CN 70593245 YXDJMFZAUPNETH-LLVKDONJSA-N 182.311 1.766 30 20 ADED CC(C)(C)C(=O)NCCCCC#N 82425032 SBTJJIOPRPNRPG-UHFFFAOYSA-N 182.267 1.843 30 20 ADED CCCCCCCN1CC[C@H](N)C1 88236258 YBDNOKPGMFWHMM-NSHDSACASA-N 184.327 1.990 30 20 ADED COc1ccc2c(c1)C(=O)/C(=C\O)C2 101640062 LNSBRXNYSHWXSN-VURMDHGXSA-N 190.198 1.876 30 20 ADED C=CCN(CC=C)c1cnccn1 145401035 NMMTXSZGUYESAG-UHFFFAOYSA-N 175.235 1.655 30 20 ADED C=CCCCN1CC[C@@H]([C@@H](C)N)C1 159504132 JYEPBZNKOOHTML-GHMZBOCLSA-N 182.311 1.622 30 20 ADED N#Cc1cncc(C#CCCCO)c1 163526256 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20 ADED C=C[C@](C)(O)C(=O)NC/C=C/CC 615734081 RLWPHYPSUMUYIA-FGEFZZPRSA-N 183.251 1.006 30 20 ADED C=CCCNC(=O)c1cnc(C)[nH]1 617615769 ZZWYMFXWZHXLMB-UHFFFAOYSA-N 179.223 1.024 30 20 ADED C=CCC[C@H](CC)N[C@H]1[C@@H]2CNC[C@@H]21 643533382 PIUJMCVOBSBJMO-NNYUYHANSA-N 194.322 1.539 30 20 ADED C=CCC1(NC(=O)NC)CCCC1 656551999 KWNKHNOMIRPBTK-UHFFFAOYSA-N 182.267 1.804 30 20 ADED C=C[C@@H](C)Nc1cc(CO)cc(C)n1 663711381 ZYIGIKNTSTXXGI-MRVPVSSYSA-N 192.262 1.869 30 20 ADED C=CCCNC(=O)Nc1ccnn1C 666678510 WISMFLVKFBHOFT-UHFFFAOYSA-N 194.238 1.118 30 20 ADED C=C1CCN(C(=O)CCCF)CC1 668303343 DUFQXMBITDAPQZ-UHFFFAOYSA-N 185.242 1.915 30 20 ADED C=CCCCCNC(=O)C1CC(=O)C1 681202663 WFLBZXAMMZHFFG-UHFFFAOYSA-N 195.262 1.438 30 20 ADED C=C(C)CCN1CCN(C)C(=O)[C@@H]1C 681707638 LAKJLHIPWFEUTK-JTQLQIEISA-N 196.294 1.115 30 20 ADED C=CCN(C)CCC[C@H](C)O 682775702 LWGXTKRZSYVBDM-VIFPVBQESA-N 157.257 1.265 30 20 ADED CN(CC#N)C(=O)C#Cc1ccccc1 701212641 JYEGFHQYKFZRSL-UHFFFAOYSA-N 198.225 1.020 30 20 ADED C#CCCCNC(=O)N[C@H](C)CCC 704141424 RXKUFAVOKYGSSZ-SNVBAGLBSA-N 196.294 1.888 30 20 ADED CC#CCN1C[C@H](C)[C@@](C)(C(=O)O)C1 710249138 WDZNPFYHRKHQQQ-ONGXEEELSA-N 195.262 1.052 30 20 ADED O=C[C@H](Cc1ccon1)C(F)(F)F 716319091 MUDWUKXYIPGNNY-YFKPBYRVSA-N 193.124 1.595 30 20 ADED C#CCCCNC(=O)NOCC(C)C 749839295 BTXQEWCPOFZYHP-UHFFFAOYSA-N 198.266 1.287 30 20 ADED CC[C@@H](C#N)OC(=O)CCOC(C)C 753422265 MMBLPHDMLZZTCZ-VIFPVBQESA-N 199.250 1.647 30 20 ADED CCCNC(=O)[C@@H](C)ON=C1CCC1 762770809 BOPDTSWIYJNULZ-MRVPVSSYSA-N 198.266 1.458 30 20 ADED C[C@H](C#N)CNN=C1CCO[C@H](C)C1 773208802 PRPMJJFIMNLLNJ-RKDXNWHRSA-N 195.266 1.291 30 20 ADED C[C@H]1CC[C@@H](C=NN2CCOCC2)C1 800805578 TVEWPDXZIZBSRS-WDEREUQCSA-N 196.294 1.741 30 20 ADED CC[C@H](O)CNN=C1CCC(C)CC1 811654811 WUGRLBYPKHRKFP-UMJHXOGRSA-N 198.310 1.913 30 20 ADED CC(C)C#CC(=O)NCC1CC1 820584205 OCECGCWMQUSWKE-UHFFFAOYSA-N 165.236 1.172 30 20 ADED C#CCCCNC(=O)N1CC[C@@H](F)C1 836331587 LNUDVOMALIERDW-SECBINFHSA-N 198.241 1.153 30 20 ADED Cc1cc(C=NOCC2CC2)nn1C 841641066 QMXIAKPUIRJQCD-UHFFFAOYSA-N 193.250 1.489 30 20 ADED C=CCC(F)(F)C(=O)NOCCC 844090496 UQYBLTAROVPZDK-UHFFFAOYSA-N 193.193 1.656 30 20 ADED C=C(C)CONC(=O)CCCC(C)=O 846540302 QCQJIZAVERAMSX-UHFFFAOYSA-N 199.250 1.370 30 20 ADED C#CCCOC(=O)N[C@@H](C)CCC 858876125 QHNGVWAQPSGPQF-VIFPVBQESA-N 183.251 1.925 30 20 ADED C#CCCOC(=O)N[C@H](C)CCOC 858931103 JETLLWMHLJZDJW-SECBINFHSA-N 199.250 1.161 30 20 ADED C=CCCCC(=O)N[C@H]1C[C@@H](CO)C1 869872588 LIEYUOGNILNBPE-AOOOYVTPSA-N 197.278 1.230 30 20 ADED C[C@@H](C#N)CNN=C1CCC[C@H]1F 872357823 LFRYBJBXRCLATM-JGVFFNPUSA-N 183.230 1.614 30 20 ADED C#CCSCC(=O)N[C@H](C)CCC 887620033 PMODCXPZZJILQF-SECBINFHSA-N 199.319 1.658 30 20 ADED C=CCCNC(=O)[C@]1(C)CC(C)=NO1 906029514 VVRAXRXMBDZCQB-JTQLQIEISA-N 196.250 1.234 30 20 ADED C=C(C)CN1CC[C@@H](NC(=O)CC)C1 1009795615 WDGCXGSJCOBRNF-SNVBAGLBSA-N 196.294 1.163 30 20 ADED C=CCNCCNC(=O)C1(C)CCC1 1132451486 CDNVSLATYJOCNT-UHFFFAOYSA-N 196.294 1.068 30 20 ADED C=C(C)CCC(=O)N1C[C@H]2C[C@@H]2C1 1347203346 YWLKLIZKBKHPFJ-NXEZZACHSA-N 179.263 1.821 30 20 ADED C=CCCC[C@H](N)C(=O)N[C@H](C)C=C 1521355819 WHSHVVQAVSVIMQ-ZJUUUORDSA-N 196.294 1.361 30 20 ADED N#Cc1ncnc(C2CC2)c1F 1898217997 UOPKHZNDECYKAI-UHFFFAOYSA-N 163.155 1.365 30 20 ADED CN(CC(=O)O)c1ccc(C#N)cc1 19867237 XPDSGSALLPFAEH-UHFFFAOYSA-N 190.202 1.079 30 20 ADED C#CCNc1nc(C)ccc1C#N 43399115 YUPJQSXVKBIVIR-UHFFFAOYSA-N 171.203 1.307 30 20 ADED CCC[C@H](C)C(=O)NCCCC#N 54137908 HUNZTDJLINUMQO-VIFPVBQESA-N 182.267 1.843 30 20 ADED CC(C)CCC(=O)NC[C@H](C)C#N 54156942 UYUYKWAJRWPAMX-SECBINFHSA-N 182.267 1.698 30 20 ADED CCCCN(C)c1nccnc1C#N 54379072 QOKZTQDXPGLFTJ-UHFFFAOYSA-N 190.250 1.585 30 20 ADED CCC(C)(C)C(=O)N[C@@H](C)C#N 54403096 LIUBMLBTLGBSBZ-ZETCQYMHSA-N 168.240 1.451 30 20 ADED CCC(=O)N(C)c1cccc(C#N)c1 59095557 SLBJJJYZMAKNFO-UHFFFAOYSA-N 188.230 1.931 30 20 ADED C[C@H](C(=O)O)c1ccccc1C#N 71610134 YFYVEXYGPYZBTB-ZETCQYMHSA-N 175.187 1.746 30 20 ADED C=CCNS(=O)(=O)CC(C)(C)C 81568303 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HHWFADMNYOYKBT-UHFFFAOYSA-N 178.260 1.872 30 20 ADED C=CCNC(=O)[C@@](C)(CC)OC 170229617 VEHPGUYRMJPPGQ-SECBINFHSA-N 171.240 1.104 30 20 ADED C=CCNC(=S)N[C@H](C)C=C 217525245 LNZPYLVEYKLEJO-SSDOTTSWSA-N 170.281 1.211 30 20 ADED CC(C)c1noc(CS)n1 231191440 NNYHGQLVMSDKNR-UHFFFAOYSA-N 158.226 1.623 30 20 ADED CC#CC(=O)N1[C@H]2CCC[C@H]1CC2 306168446 WARKWKCWYXPZMJ-UWVGGRQHSA-N 177.247 1.553 30 20 ADED N#C[C@@H]1O[C@]12CCc1cc(F)ccc12 306232812 CNDNUEYSYDRXPA-QWRGUYRKSA-N 189.189 1.890 30 20 ADED C=CCN1CCC=C(F)C1 306495940 QTICLNFMNCFTBS-UHFFFAOYSA-N 141.189 1.732 30 20 ADED C=CCNC(=O)c1cc(Cl)cn1C 306568810 JRZDKIDDONENCV-UHFFFAOYSA-N 198.653 1.594 30 20 ADED N#C[C@H]1O[C@@]12CC1CCC2CC1 307067505 LCTVEUZJAIWKFR-YDYPAMBWSA-N 163.220 1.858 30 20 ADED C=CCn1cc(C)c(C(=O)O)n1 307202046 FLDHXPRHUBXEJX-UHFFFAOYSA-N 166.180 1.076 30 20 ADED C=CCCOC(=O)[C@@H](CC)OC 307949375 MPTOZPKEYLHQLX-MRVPVSSYSA-N 172.224 1.531 30 20 ADED C=CCCCNc1cc(F)ncn1 308193748 PIDQITVIHFOHBK-UHFFFAOYSA-N 181.214 1.994 30 20 ADED C#CCCCCC(=O)NCCC#N 308197562 ULTZCAKORXFFGW-UHFFFAOYSA-N 178.235 1.210 30 20 ADED C#CCN(C1CCCC1)[C@@H](C)CO 308257281 LKYPXGAOWHFDPA-JTQLQIEISA-N 181.279 1.245 30 20 ADED C#CCON=Cc1ccc(C#N)o1 308346783 VXIFASVDMRQTKR-UHFFFAOYSA-N 174.159 1.135 30 20 ADED C=CCN1CC[C@H](C(=O)OC)[C@@H]1C 308379596 UFRMGYDIHDDQCW-IUCAKERBSA-N 183.251 1.056 30 20 ADED C#CCCCn1cnc(C(C)(C)C)n1 308523212 ZDPHHUDYYLEADS-UHFFFAOYSA-N 191.278 1.989 30 20 ADED C=C(CC)CN[C@H](C(=O)OC)C1CC1 308581037 GLMGDKHQEZKIHJ-JTQLQIEISA-N 197.278 1.494 30 20 ADED C=C(CC)CNCc1cncn1CC 313508671 XKLIKRULWLMYPY-UHFFFAOYSA-N 193.294 1.959 30 20 ADED C#CCCNC(=O)OC1CCC1 322437232 ZITYNNKEIZAASN-UHFFFAOYSA-N 167.208 1.288 30 20 ADED CC[C@](C)(C#N)C(=O)N1CC[C@H](F)C1 335579059 IEAAIOMVZOBZGB-WCBMZHEXSA-N 198.241 1.497 30 20 ADED C=C(C)CN(C)C(=O)[C@H]1CCCS1 335598815 PLQYPLWLAWCCPH-SECBINFHSA-N 199.319 1.917 30 20 ADED C=CCN1CCN(C(C)=O)CC1(C)C 336325920 ZJCIXVRNKFFZSK-UHFFFAOYSA-N 196.294 1.115 30 20 ADED CC#CCN(C)C(=O)C1CC(C)(C)C1 336535612 MYMDXVUMCWIXRY-UHFFFAOYSA-N 193.290 1.904 30 20 ADED C=CCNN=C(COC)C1CC1 379334290 NYYJMNKHFSMZTL-UHFFFAOYSA-N 168.240 1.174 30 20 ADED C#CCOC(=O)CCCC(F)(F)F 379366077 QSLHEALFIHUTTR-UHFFFAOYSA-N 194.152 1.895 30 20 ADED C[C@H]1C[C@@H]1C=Nn1ccccc1=O 379394405 XFSMVLDYXIUKCV-DTWKUNHWSA-N 176.219 1.338 30 20 ADED CCCC[C@H](COC)NCCC#N 379408468 AZGIVFOOMIWOGH-SNVBAGLBSA-N 184.283 1.695 30 20 ADED C=CC[C@@H](C)[C@H](C)NCC[C@H](C)O 388270714 GZCLYTXVAKQVPX-VWYCJHECSA-N 185.311 1.948 30 20 ADED C[C@H](C#N)OC(=O)Cc1cccs1 388720320 SFESMKGYRBRLDL-SSDOTTSWSA-N 195.243 1.746 30 20 ADED O=C(O)CNN=CC1CCCCC1 393489850 URPRYLCPLXAVEB-UHFFFAOYSA-N 184.239 1.227 30 20 ADED C[C@H](C#N)CNCC1=CCCOC1 393577881 AHECMPMPUZUZQT-SECBINFHSA-N 180.251 1.082 30 20 ADED C#C[C@H](CC)NC(=O)NC(C)(C)CC 395434753 ODLDNRBCMZZJOL-SECBINFHSA-N 196.294 1.886 30 20 ADED C#CCn1nc2c(c1C#N)CCCC2 409437293 FTERRPLFKWUGGT-UHFFFAOYSA-N 185.230 1.267 30 20 ADED CCOC(=O)C#Cc1ccc(C)cn1 585143921 TWVWWPHCKJTTCX-UHFFFAOYSA-N 189.214 1.305 30 20 ADED CC[C@H](C#N)NC(=O)[C@](C)(C#N)CC 586764257 MIUBPYPDJMCDOR-SCZZXKLOSA-N 193.250 1.345 30 20 ADED CN(CCC#N)CC1=CCSC1 595895598 PVBGTMLJLDBTIQ-UHFFFAOYSA-N 182.292 1.505 30 20 ADED CC1(C#N)CN(Cc2ccns2)C1 602691116 VIUKQGPERYUKLN-UHFFFAOYSA-N 193.275 1.489 30 20 ADED C=C(Cl)Cn1ccnn1 606243785 UPHQNJNHEGTEOI-UHFFFAOYSA-N 143.577 1.031 30 20 ADED CCO[C@@H](C)C(=O)NCCCCC#N 609141586 KKCRMFLMMGDPPK-VIFPVBQESA-N 198.266 1.221 30 20 ADED C=C[C@@H](O)C(=O)N(C)[C@@H](C)CCCC 615065373 LKGATQMUKQDNHQ-VHSXEESVSA-N 199.294 1.570 30 20 ADED C=CC(C)(C)C(=O)NC[C@@H](O)C1CC1 649190418 GNHZXGHJNHJKBU-SECBINFHSA-N 197.278 1.086 30 20 ADED C=CCCCCN1C[C@@H](O)[C@H](C)C1 649406256 DBEGNCAZPYLKQY-GHMZBOCLSA-N 183.295 1.655 30 20 ADED C=CCNC(=O)N1CC[C@@H]2C[C@H]2C1 660205379 BETMCLUHIFHQKB-BDAKNGLRSA-N 180.251 1.224 30 20 ADED CC#CCCN(C)CC(C)(C)OC 680884729 RGDBEAFSZCNTBE-UHFFFAOYSA-N 183.295 1.757 30 20 ADED CC[C@@H](C#N)C(=O)NC[C@@H]1C=CCC1 711718841 KHGFFTXXAFNANF-ZJUUUORDSA-N 192.262 1.619 30 20 ADED C[C@H](C=O)Cc1cc(C2CC2)on1 716317932 CTXNWUAUQJIANM-ZETCQYMHSA-N 179.219 1.930 30 20 ADED C=CCCC(=O)COC(=O)[C@H]1C[C@@H]1C 761362944 WTQNWMZUBJKGOJ-WPRPVWTQSA-N 196.246 1.721 30 20 ADED C#C[C@H](C)N(C)C(=O)/C=C(\C)C1CC1 767244265 SQNSQWUDUPTWGQ-DDXVTDLHSA-N 191.274 1.823 30 20 ADED C#C[C@H](C)OC(=O)/C=C\c1ccc[nH]1 789803751 SYSYXRZYHMGHSB-NMTCXDENSA-N 189.214 1.593 30 20 ADED C#CC(=O)N(C)Cc1ccn(CC)c1 790999831 PERCLEMWUZSPNX-UHFFFAOYSA-N 190.246 1.100 30 20 ADED C=C(C)COC(=O)C1(COC)CCC1 792678830 VMCOKNXSNTVORH-UHFFFAOYSA-N 198.262 1.922 30 20 ADED C#CCCCN1CC[C@H](OC)[C@@H](C)C1 831535706 YNFVRLPTNJEZNG-RYUDHWBXSA-N 195.306 1.757 30 20 ADED OCc1ccc(C=NNC2CC2)cc1 853333092 BYVSZFOZCKNVAU-UHFFFAOYSA-N 190.246 1.265 30 20 ADED C#CC1CCN(C(=O)OCCF)CC1 859203030 JVCXVEKPBMFURG-UHFFFAOYSA-N 199.225 1.438 30 20 ADED CCCNN=Cc1cnc(C2CC2)o1 863078865 PAFJGTXPCHLTAQ-UHFFFAOYSA-N 193.250 1.886 30 20 ADED CC(C)(O)CNN=C1CCC[C@@H]2C[C@H]12 863137206 TVOZCPQZDYUDQB-BDAKNGLRSA-N 196.294 1.523 30 20 ADED N#Cc1cccc(CN[C@@H]2C=CCC2)n1 877623953 FRIOOJSOHIBUAY-SNVBAGLBSA-N 199.257 1.761 30 20 ADED C=CCCC(=O)N1CC[C@H](CF)C1 881668024 NGNLHGAZYNUUAZ-SECBINFHSA-N 185.242 1.771 30 20 ADED C#CCNN=C1CCC[C@H](OCC)C1 905477921 YUYBSCAVTMKYHR-NSHDSACASA-N 194.278 1.544 30 20 ADED C#CCN(C(=O)CCC(=C)C)C1CC1 1120640773 ITFOSMKSMQTQOR-UHFFFAOYSA-N 191.274 1.967 30 20 ADED C=C(CC)C(=O)NCc1cc(C)on1 1123607453 HYWSVKUBTCSYPG-UHFFFAOYSA-N 194.234 1.565 30 20 ADED C=C[C@H](COC)N[C@@H]1C[C@H](C)O[C@@H]1C 1325313563 DZJCAZWYDQDFDM-LNFKQOIKSA-N 199.294 1.343 30 20 ADED C[C@H]1COCC1=NOCCC1CC1 1331331303 WQYJNSCLXSMBQX-QMMMGPOBSA-N 183.251 1.825 30 20 ADED C=C(C)CCC(=O)N[C@@H](C)CN(C)C 1337275251 SCFSWLLBUOOJEV-JTQLQIEISA-N 198.310 1.409 30 20 ADED C=CC[C@@H](N[C@@H](C)C1CC1)C(=O)O 1350611535 VRKXBIBZEYDNJO-IONNQARKSA-N 183.251 1.404 30 20 ADED N#Cc1ccc(C(F)(F)CO)cc1 1536099979 MDCDYJGJKPJFAF-UHFFFAOYSA-N 183.157 1.642 30 20 ADED C#C[C@H](CC)N[C@H](C)[C@@H]1C[C@H]1C(=O)O 1588369421 LJJOYRDJMNFXTE-DOLQZWNJSA-N 195.262 1.097 30 20 ADED C=C(C)CN1CCC[C@@H](C(=O)O)C1 35083932 ZMOXSOBFYZZQTA-SECBINFHSA-N 183.251 1.359 30 20 ADED C=CCN(CC=C)C(=O)c1cn[nH]c1 36164624 FCKSFWHTJONTHG-UHFFFAOYSA-N 191.234 1.224 30 20 ADED C[C@@H](C#N)CN(C)C(=O)NC(C)(C)C 42249189 CIESOJQJIWEMPJ-QMMMGPOBSA-N 197.282 1.586 30 20 ADED C[C@H](C#N)CN(C)C(=O)c1ccco1 42460633 SAWBEBPCAMBZCT-MRVPVSSYSA-N 192.218 1.511 30 20 ADED CC(C)N(CC1CC1)C(=O)[C@@H](C)C#N 44826731 HDLRFPMNLCIGEE-VIFPVBQESA-N 194.278 1.793 30 20 ADED C=C(CC)CN(CCC)CC(=O)O 85060018 NSKSKFDRNUJXPF-UHFFFAOYSA-N 185.267 1.749 30 20 ADED C[C@H](C#N)CN(C)CCC(C)(C)O 86234119 HFIOMZMELYTAOV-SECBINFHSA-N 184.283 1.239 30 20 ADED N#Cc1cccc2cc(N)ncc12 91692358 IWYIBAOIOZIXJN-UHFFFAOYSA-N 169.187 1.689 30 20 ADED N#Cc1cnc2c(c1)CCC2=O 96029022 WMJDLVZENFGOGX-UHFFFAOYSA-N 158.160 1.082 30 20 ADED C#CCN(CC)C(=O)[C@@H]1CCCS1 97989020 NBJZBSKFBQHISC-VIFPVBQESA-N 197.303 1.364 30 20 ADED N#CCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103100718 FFKIITZSZBRFHM-LPEHRKFASA-N 192.262 1.452 30 20 ADED COc1c(Cl)ccnc1C#N 118399935 ALQJCQNSWKKHSW-UHFFFAOYSA-N 168.583 1.615 30 20 ADED CSCC[C@H](C)N(C)CCC#N 124823228 XNTUPOPMESDIND-VIFPVBQESA-N 186.324 1.973 30 20 ADED N#Cc1ncccc1NC1CCC1 129985876 BZUREOSFOYETJU-UHFFFAOYSA-N 173.219 1.918 30 20 ADED C=C[C@@H](C)NCc1cnc[nH]1 130450348 UCUFBEZOOLCVCQ-SSDOTTSWSA-N 151.213 1.074 30 20 ADED C=C[C@H](C)Nc1ccnc(N(C)C)n1 130631268 KPUNSUJNKPWDBC-QMMMGPOBSA-N 192.266 1.529 30 20 ADED C=CCN(C(=O)CNC(C)C)C1CC1 131289406 SSVYSZDZSPPVKI-UHFFFAOYSA-N 196.294 1.161 30 20 ADED C#C[C@H](C)NCc1ccccn1 135163596 XTDUEJBOEIHYSQ-VIFPVBQESA-N 160.220 1.193 30 20 ADED C#CCCCN[C@H](C)[C@@H]1CCOC1 156947821 SIYGFZWDQCMIJY-GHMZBOCLSA-N 181.279 1.414 30 20 ADED C=C[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 157277796 SYSCEVHURYRAOP-HBNTYKKESA-N 194.322 1.776 30 20 ADED C=C(C)c1ccc(C=O)nc1 216047315 WOCOZBZKLXZCIZ-UHFFFAOYSA-N 147.177 1.927 30 20 ADED CS[C@H]1CC[C@H](NC(=O)CC#N)C1 228997172 UHJOORNDWDZVRU-YUMQZZPRSA-N 198.291 1.300 30 20 ADED C#CCCCNC(=O)C[C@@H]1CCCO1 231575528 NWGZRHZAUMEJEK-JTQLQIEISA-N 195.262 1.085 30 20 ADED C#C[C@H](CC)NC(=O)NCCCC 232974771 OPVIQUCXVIDZEJ-SECBINFHSA-N 182.267 1.498 30 20 ADED C#CCCCN[C@H]1C[C@H](OC)C1(C)C 234795925 LBTNVDOMZYCHDZ-QWRGUYRKSA-N 195.306 1.803 30 20 ADED C[C@@H](CC#N)N(C)C[C@H]1CCCN1C 252574152 FSGSYAOMHLSKPP-WDEREUQCSA-N 195.310 1.315 30 20 ADED C=CCCCN1C[C@@H](N)[C@H](C)C1 300048245 INJKTLLTBPLRLX-NXEZZACHSA-N 168.284 1.232 30 20 ADED C=C[C@H](NCC1(C(C)C)CC1)C(=O)O 301018876 JCAUJCPJOUTJAM-VIFPVBQESA-N 197.278 1.651 30 20 ADED C=CCN1CC[C@@H]2OCCC[C@H]2C1 306432329 SLETVMKUWFNBQC-QWRGUYRKSA-N 181.279 1.673 30 20 ADED N#C[C@H]1CCC[C@@H](NCCF)C1 306550510 HTFXYBBTWGQFCL-DTWKUNHWSA-N 170.231 1.628 30 20 ADED C#CCNC(=O)N[C@H]1CCC[C@H]1C 306615568 NSHGBWPFVORBLF-BDAKNGLRSA-N 180.251 1.107 30 20 ADED C#CCON=C1CCC(C(=O)O)CC1 306635942 AOTYQTMEBPAIQR-UHFFFAOYSA-N 195.218 1.267 30 20 ADED C=C(C)CN1CCC[C@H](CO)CC1 306790324 VKDCIDOFSRFDPC-NSHDSACASA-N 183.295 1.657 30 20 ADED C[C@H](C(=O)NC1(C#N)CC1)C1CC1 307198171 XMIIIZBFXYBXQK-ZETCQYMHSA-N 178.235 1.205 30 20 ADED Cc1nccc(NCCC#N)n1 307324312 JVKLPPWOUXTAQX-UHFFFAOYSA-N 162.196 1.111 30 20 ADED C=C(Cl)CN1CC[C@@H](CO)[C@H]1C 307344605 JYCAVBFWOMZVJY-BDAKNGLRSA-N 189.686 1.442 30 20 ADED C=C(C)CSCC(=O)OC 307508613 JFTMIBQLMRMBJI-UHFFFAOYSA-N 160.238 1.469 30 20 ADED C#CCN(C)C(=O)[C@@H](CC)SC 307957536 SGGNIJWNCBAASL-MRVPVSSYSA-N 185.292 1.220 30 20 ADED C#CCCN[C@@]1(CC)CCOC1 307986123 RCNDDRBOQYXPEN-JTQLQIEISA-N 167.252 1.168 30 20 ADED CCC(C=NN[C@H](C)CO)CC 307992515 UJVJHVRTZBWPMZ-MRVPVSSYSA-N 172.272 1.379 30 20 ADED C=CCCO[C@H](C)C(=O)OCCF 308258354 MEEHZEQUKOTVPT-MRVPVSSYSA-N 190.214 1.480 30 20 ADED C=CC[C@@H](C)NC(=O)C1(SC)CC1 308314448 VJVWYECFTRIFQQ-MRVPVSSYSA-N 199.319 1.963 30 20 ADED C=CC[C@H](CO)CN[C@@H](C)CCC 308403507 IKKVHPYGIGZYSB-QWRGUYRKSA-N 185.311 1.949 30 20 ADED C=CCCC(=O)NCC[C@@H](C)OC 308498341 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691545458 OEFKBVJGYKIBQA-UHFFFAOYSA-N 196.250 1.085 30 20 ADED C=C[C@@](C)(O)c1cn(CCC)nn1 715976447 QGGRNMURCWZUKF-SECBINFHSA-N 181.239 1.082 30 20 ADED C[C@H](NC(=O)[C@H](C)C#N)c1ccc[nH]1 760947677 CCISCWDRBQJTQW-SFYZADRCSA-N 191.234 1.352 30 20 ADED C=C[C@](C)(CC)C(=O)O[C@H](C)C(N)=O 785760980 FPOOLTVLUKIFPZ-GMSGAONNSA-N 199.250 1.006 30 20 ADED C=C(C)Cn1c(C)nnc1N(C)OC 812180584 MMNGKEGXOYIUQM-UHFFFAOYSA-N 196.254 1.160 30 20 ADED C#C[C@H](CCC)NC(=O)CCCC#N 812545242 LXELEEIBNHYGHB-SNVBAGLBSA-N 192.262 1.598 30 20 ADED C=C(C)COC(=O)[C@](C)(O)C1CCC1 812669295 UUZBQEDCJQDULJ-LLVKDONJSA-N 198.262 1.657 30 20 ADED C#CCO[C@H](C)C(=O)O[C@H](C)CCC 835341307 SUNFIGZTMYTQKY-NXEZZACHSA-N 198.262 1.757 30 20 ADED C[C@@H](CC(=O)N(C)[C@H](C)C#N)C1CC1 839367073 OHHISNHCEBEXKG-DTWKUNHWSA-N 194.278 1.793 30 20 ADED CCON=Cc1cc(C)n(C)n1 841617305 VRZNFJPRGKZKFK-UHFFFAOYSA-N 167.212 1.099 30 20 ADED C=C[C@@H](C)ON=C[C@@H]1CCCOC1 844621323 YIBGTTSXJLVYCI-ZJUUUORDSA-N 183.251 1.990 30 20 ADED C=C[C@H](C)ON=Cc1ncc(C)o1 844621387 YUZUDTVLPKRIPM-ZETCQYMHSA-N 180.207 1.908 30 20 ADED C=CCNC(=S)N1CC[C@H]2C[C@@H]2C1 853027586 VHPNTWWJSIDBAQ-DTWKUNHWSA-N 196.319 1.389 30 20 ADED CC(C)(C)C=NN1CCOC1=O 863162853 CXAVSWCNXBYIFF-UHFFFAOYSA-N 170.212 1.471 30 20 ADED C=CCCC(=O)NCCC(C)(C)OC 871255562 AYYTYDPIQJBLON-UHFFFAOYSA-N 199.294 1.884 30 20 ADED CO[C@@H](C)C(C)=NN1CCC1 872396829 IMWQFOCJTJFVJJ-QMMMGPOBSA-N 156.229 1.103 30 20 ADED Cc1nnc(C)n1N=Cc1ccc[nH]1 1317671391 KLBTWYSKPLAXGU-UHFFFAOYSA-N 189.222 1.105 30 20 ADED C[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1F 1342504150 FWEZNTVBIMBXLW-FSDSQADBSA-N 171.171 1.190 30 20 ADED CC#CCN[C@H](C(=O)O)[C@H](C)CC 1588931860 DYNZXDKBZKASHC-BDAKNGLRSA-N 183.251 1.099 30 20 ADED CC(C)(C)CCOS(C)(=O)=O 39148036 DCTROTZBSDPXSM-UHFFFAOYSA-N 180.269 1.399 30 20 ADED in-vitro C[C@@H](C#N)NC(=O)C1CCCC1 40350437 TWKUNWZVSQORBO-ZETCQYMHSA-N 166.224 1.205 30 20 ADED CC[C@@H](C#N)C(=O)N(C)CC 44814802 VDZIJBIKHKLXFX-ZETCQYMHSA-N 154.213 1.014 30 20 ADED CCOCCN(C)CCC(C)(C)C#N 87977662 OTQYUDRFHDSRNC-UHFFFAOYSA-N 198.310 1.895 30 20 ADED C#CCNc1c(F)cccc1[N+](=O)[O-] 88134560 OPUPPFFFLZNFEO-UHFFFAOYSA-N 194.165 1.779 30 20 ADED C[C@H](O)CCN(C)CCCCC#N 128440199 LTYUZEWJLIIXQT-JTQLQIEISA-N 184.283 1.383 30 20 ADED CC(C)=CC(=O)[C@H]1CCCN1 135401925 WMMFJROHIDFDGE-MRVPVSSYSA-N 153.225 1.274 30 20 ADED C[C@@H](C(=O)N(C)[C@H](C)CC#N)C1CC1 148020938 JHAQXQZLCNANJZ-RKDXNWHRSA-N 194.278 1.793 30 20 ADED C#CCCCNCc1cn(C)nc1C 160994489 XFZVPAXMZSDYPH-UHFFFAOYSA-N 191.278 1.232 30 20 ADED C[C@H]1C[C@H](NCC(C)(C)C#N)CCO1 164681002 SWHBUWYTLFHLMR-VHSXEESVSA-N 196.294 1.693 30 20 ADED C[C@@H]1CCCC(=NNC(=N)N)C1 252447980 QVTIAPRTSGPFDR-ZCFIWIBFSA-N 168.244 1.036 30 20 ADED N#Cc1cnn2c(F)cccc12 260807001 SNWGSXHLBOCZOD-UHFFFAOYSA-N 161.139 1.345 30 20 ADED O=CC1(C[C@H]2CCC[C@H](O)C2)CC1 306378691 TZNNHWGGTDPFAL-UWVGGRQHSA-N 182.263 1.907 30 20 ADED CC[C@H]1CC[C@H](C(=O)NCC#N)CC1 306379110 PZPFBNSAXYGECO-MGCOHNPYSA-N 194.278 1.843 30 20 ADED CC[C@H]1C[C@@H](C)CN1C(=O)CC#N 306718535 WOHYMNGZDRHBBB-BDAKNGLRSA-N 180.251 1.547 30 20 ADED C#CCNC(=S)N[C@@H]1CCC1(C)C 306848626 MTJNNKXCYXUPHV-MRVPVSSYSA-N 196.319 1.272 30 20 ADED C#CCN1C[C@H](C)[C@@H](C)[C@@H]1C 307095130 TZLFJNMTFYWNMO-AEJSXWLSSA-N 151.253 1.596 30 20 ADED N#Cc1cncnc1N1CC=CCC1 307102734 WCUNPOXSZDNTLF-UHFFFAOYSA-N 186.218 1.115 30 20 ADED C[C@@H](C(=O)NCC#N)c1ccsc1 307136574 VFXUDTOIGWTACX-SSDOTTSWSA-N 194.259 1.491 30 20 ADED CC(C)(C(=O)NO)C1CCCC1 307205537 JVPPRQCRORTGLQ-UHFFFAOYSA-N 171.240 1.708 30 20 ADED C#CCN1CCC[C@](C)(OC)CC1 307210156 QLWZAMBLPVWBOX-NSHDSACASA-N 181.279 1.511 30 20 ADED N#CCNC1(c2ccccc2F)CC1 307296823 RFVZXKNMOQFEAJ-UHFFFAOYSA-N 190.221 1.928 30 20 ADED Cc1cc(C#N)nc(N[C@H](C)CF)n1 307343086 IIBXUBNNIIWZBU-SSDOTTSWSA-N 194.213 1.427 30 20 ADED C/C=C(/CC)C(=O)OCC#N 307565882 NGKWMGKLKKQSHC-CLTKARDFSA-N 153.181 1.409 30 20 ADED C[C@@H]1C[C@H](O)CN1CC1(CC#N)CC1 307610905 IWEHSMHLCSMABQ-ZJUUUORDSA-N 194.278 1.135 30 20 ADED C=C[C@H](C)NC(=O)[C@H](C)OCC 308000938 ZJCMGVCAGQLRIV-YUMQZZPRSA-N 171.240 1.102 30 20 ADED C=CCCC(=O)N1CCC1(C)C 308040246 MXTFZNJJUDZEHI-UHFFFAOYSA-N 167.252 1.964 30 20 ADED C[C@H]1CCCC1=NN[C@H](C)CO 308049485 RGCRAIVBBKHJKZ-JGVFFNPUSA-N 170.256 1.133 30 20 ADED CCNC(=S)NCC1(CC#N)CC1 308238580 RSHZMAAHDAZTKI-UHFFFAOYSA-N 197.307 1.164 30 20 ADED CC#CCNC(=O)/C=C(\C)C1CC1 308344331 UBRKIRKEZDSRKK-CMDGGOBGSA-N 177.247 1.482 30 20 ADED C#CCN(CC)C(=O)CC1(C)CC1 308374707 RRGYQYIWGDJHPK-UHFFFAOYSA-N 179.263 1.658 30 20 ADED C=CCCON=C(N)[C@@H]1CCCO1 308392064 YYOCXQXWFMIKOA-QMMMGPOBSA-N 184.239 1.030 30 20 ADED CCCC1(C(=O)N(C)[C@H](C)C#N)CC1 308549697 RFDGGZZIHNLVDQ-SECBINFHSA-N 194.278 1.937 30 20 ADED CC[C@H](NC(=O)CC#N)C1CC1 323905689 ZUCLYJHPCOWGFW-QMMMGPOBSA-N 166.224 1.205 30 20 ADED CC(C)(C#N)C(=O)N1CCC[C@@H]1CF 334554260 CUDQSSVCXZISBQ-MRVPVSSYSA-N 198.241 1.497 30 20 ADED C=CCN(C)C(=O)c1[nH]ccc1C 335593538 WITUFLCDLPRUBS-UHFFFAOYSA-N 178.235 1.581 30 20 ADED CCC1(C)CN(C(=O)NCCC#N)C1 336401888 BAAKHHJSKNSLHU-UHFFFAOYSA-N 195.266 1.342 30 20 ADED C=C[C@H](CO)NCCCC(C)C 379323939 UQALYYCVBWMVEL-SNVBAGLBSA-N 171.284 1.559 30 20 ADED N#CCCCCCC(=O)N1CCC1 379359561 ZBEUTOKIDAENLX-UHFFFAOYSA-N 180.251 1.693 30 20 ADED CC(C)C(=NN[C@H](C)CO)C1CC1 379393949 WBKVYEQJSAHFBM-MRVPVSSYSA-N 184.283 1.379 30 20 ADED C=C[C@@H](C)NC(=O)[C@H](O)C(C)(C)C 379396244 CMUQHOWBPHCECN-SFYZADRCSA-N 185.267 1.084 30 20 ADED C=CCCCN=c1nc[nH]cc1C#N 379485661 IISTZGXPTTTWSC-UHFFFAOYSA-N 188.234 1.148 30 20 ADED CC[C@@H](C#N)C(=O)NCC[C@@H](C)OC 379632168 OPWAGUINSYOQIN-BDAKNGLRSA-N 198.266 1.077 30 20 ADED C=CCNC(=O)c1ccc(SC)o1 388237408 PDZQBIMGDNJHTK-UHFFFAOYSA-N 197.259 1.917 30 20 ADED C#CCCOC(=O)CCCC#CC 388943145 YAYNAXXAYAHKTG-UHFFFAOYSA-N 178.231 1.747 30 20 ADED C#CCCOC(=O)C(F)(F)CC=C 393494157 VDKPCUZJDBPEJZ-UHFFFAOYSA-N 188.173 1.764 30 20 ADED C[C@]1(O)CCN([C@@H]2CC[C@H](C#N)C2)C1 590161241 PCDVSDMPTAJSJU-AXFHLTTASA-N 194.278 1.135 30 20 ADED CCO[C@@H](CC)C(=O)N[C@@H](C)CC#N 604573416 SKGZFIOMDRQQEU-IUCAKERBSA-N 198.266 1.220 30 20 ADED C=CC[C@@H](C)NC(=O)C[C@@H]1CCOC1 606844886 HNLPUEWSMCIXIB-ZJUUUORDSA-N 197.278 1.494 30 20 ADED CCCCO[C@H](C)C(=O)N(C)CC#N 608777558 UHMXFVXZBMRGRS-SECBINFHSA-N 198.266 1.174 30 20 ADED CC[C@@H](CC#N)NC(=O)C1=CCCC1 613037936 JJJWNRVNRIWUSR-JTQLQIEISA-N 192.262 1.905 30 20 ADED C=C(C)CNC(=O)[C@@H]1CCCCN1C 635821584 XUBXEITXWBLQHB-JTQLQIEISA-N 196.294 1.163 30 20 ADED CC#CCSc1ccc(C)nn1 641455979 LTVSAXGALUQZAA-UHFFFAOYSA-N 178.260 1.900 30 20 ADED CC#CCCN1CC[C@H]2C[C@H]2C1 661967811 GFNJZQYVZNYXFJ-QWRGUYRKSA-N 163.264 1.742 30 20 ADED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCO 682360864 XBSWNYMXCLQJQS-ONGXEEELSA-N 199.294 1.476 30 20 ADED C=CCCOC(=O)c1ccnc(F)c1 729074251 MNRMLUFMEAQVPF-UHFFFAOYSA-N 195.193 1.954 30 20 ADED CCCC(=O)Nc1cnn(CC#N)c1 747438746 UJBKMFXEJLERQW-UHFFFAOYSA-N 192.222 1.145 30 20 ADED CCCCOCC(=O)O[C@@H](C#N)CC 753422149 KUAZHXLXFDBIIP-SECBINFHSA-N 199.250 1.648 30 20 ADED C#C[C@H](C)N(C)C(=O)c1coc(C)c1 767254742 VOTLDAZFFXMSKJ-QMMMGPOBSA-N 191.230 1.682 30 20 ADED C#C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H]1C 773602768 GBFDIUHPBMPGOY-UTLUCORTSA-N 194.278 1.448 30 20 ADED C1=CC[C@H](C=NN[C@@H]2CCOC2)CC1 788452247 KZTCLQCWHMWDQJ-WDEREUQCSA-N 194.278 1.707 30 20 ADED C#CCN(C)C(=O)[C@H]1CC12CCCC2 790971167 RIVPHVLFGDGAMD-SNVBAGLBSA-N 191.274 1.658 30 20 ADED C#CCOC(=O)c1occ2c1CCC2 796818589 OGFMPNKNAQQUML-UHFFFAOYSA-N 190.198 1.558 30 20 ADED CC/C(C)=C/C(=O)N(C)CCC#N 822743412 VOHXHUATZRXLGH-CMDGGOBGSA-N 180.251 1.715 30 20 ADED CC(C)C#CC(=O)N[C@@H]1CCC[C@@H]1C 826572207 NVERIKHGQFDSJF-WDEREUQCSA-N 193.290 1.951 30 20 ADED C#CCN(CC#N)CC1=CCCC1 828462578 QLYNVJMFGYLUAE-UHFFFAOYSA-N 174.247 1.555 30 20 ADED CC(C)ON=Cc1cccn1C 835004510 QCJDHZTVDUHAFK-UHFFFAOYSA-N 166.224 1.784 30 20 ADED CC(C)(C#N)OC(=O)c1ccsn1 835224107 VQLGNSDBKOTUJS-UHFFFAOYSA-N 196.231 1.602 30 20 ADED C#CCC[C@H](C)OC(=O)COCCC 839036006 PDKFIMHJBHHNNT-JTQLQIEISA-N 198.262 1.758 30 20 ADED C=C(C)CNc1nnc(C2CC2)o1 849162186 XVCCMQGISNMVNX-UHFFFAOYSA-N 179.223 1.935 30 20 ADED C#CCOCCN1CCC[C@H](CC)C1 851719234 IJNGYDRKXDBSQD-LBPRGKRZSA-N 195.306 1.758 30 20 ADED C#CCN(CC)Cc1cccc(F)n1 851799300 MXXXOBGNPLCKBT-UHFFFAOYSA-N 192.237 1.676 30 20 ADED C#CCOCCNC1(CC)CCCC1 852113836 JNTXAZWSYGPZNG-UHFFFAOYSA-N 195.306 1.949 30 20 ADED Cn1ncc(Cl)c1C=NN1CCC1 872398003 ZSBJEAOBWOEEHV-UHFFFAOYSA-N 198.657 1.113 30 20 ADED CCC#CCOC(=O)[C@H](C)C1CC1 893839628 SZELWNYMAZYYJY-SECBINFHSA-N 180.247 1.989 30 20 ADED C#CCOC(=O)c1ccc(C)cc1O 916614070 YNUJIJASCBADOQ-UHFFFAOYSA-N 190.198 1.491 30 20 ADED C=CCCO[C@H](C)C(=O)O[C@@H](C)C#N 921227940 JMTTVRDYHNFPTR-DTWKUNHWSA-N 197.234 1.423 30 20 ADED C=C[C@@H](CC)CC(=O)N[C@H](C)COC 929225267 SORINRFZRNJTDY-ZJUUUORDSA-N 199.294 1.740 30 20 ADED C#CCN(CCn1ccnc1)C(C)C 932388844 XQVNTSMBYZHQSX-UHFFFAOYSA-N 191.278 1.227 30 20 ADED N#C[C@H]1CC[C@@H](N[C@H]2CCCNC2)C1 1246119487 FPVIYCHSODEFCW-AXFHLTTASA-N 193.294 1.020 30 20 ADED C#CCOCCOc1ccnc(C)c1 1347253792 RFEKEBOESAHZST-UHFFFAOYSA-N 191.230 1.419 30 20 ADED N#CC1(CNC(=O)[C@H]2C[C@H]2F)CCC1 1528501436 HQEGAUHVWWJJFX-JGVFFNPUSA-N 196.225 1.154 30 20 ADED C#CC[C@@H]1CCN(CC(C)(C)CN)C1 1574545064 MTIRBZRZAJLHTP-LLVKDONJSA-N 194.322 1.317 30 20 ADED C=C(C)CN1C[C@@H](C(=O)O)CC1(C)C 1776139805 GJDJBTBIXQMJRI-VIFPVBQESA-N 197.278 1.748 30 20 ADED N#Cc1ccc(Cl)c2c(F)cnn12 1857776056 VPEOLBCSTOWPTG-UHFFFAOYSA-N 195.584 1.998 30 20 ADED CN(CCC#N)Cc1ccccn1 19834200 UOJVUBSSMRHDAF-UHFFFAOYSA-N 175.235 1.427 30 20 ADED C#CCN(C(C)=O)C1CCCCC1 38996106 JYSHBSFLASMRQJ-UHFFFAOYSA-N 179.263 1.801 30 20 ADED C=CCNC(=O)CN1CCCC[C@H]1C 41362602 IQBPOUCNPVESST-SNVBAGLBSA-N 196.294 1.163 30 20 ADED CCN(CC#N)C(=O)[C@H]1C[C@H]1C 45049302 JNBPUPWIQAIWHH-SFYZADRCSA-N 166.224 1.014 30 20 ADED Cc1ccc(C(=O)N[C@@H](C)CC#N)o1 50337165 PKJBQVDQFPQTLL-ZETCQYMHSA-N 192.218 1.620 30 20 ADED Cc1ccc(N(C)[C@H](C)CC#N)nn1 63095853 BHEAZPBNRUKVIH-SECBINFHSA-N 190.250 1.523 30 20 ADED C=CCCN(CCC(=O)O)C(C)C 70593048 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178.187 1.768 30 20 ADED C=CCN1CCCOC[C@H]1C 307717951 KKSWDVUJWGYNTC-SECBINFHSA-N 155.241 1.283 30 20 ADED COCC(=NOC)C1CC1 307788037 OXAMKPHEIWGHNM-UHFFFAOYSA-N 143.186 1.045 30 20 ADED C=CCN(C)[C@H](CO)C(C)(C)C 308145101 JNXPJWIVTXHOJC-SECBINFHSA-N 171.284 1.511 30 20 ADED C=CCOCC(=O)OCC(=C)Cl 308165815 UQZXTADCRBUFLJ-UHFFFAOYSA-N 190.626 1.485 30 20 ADED C=C[C@H](COC)NC(=O)[C@H](C)CC 308252025 BTOOMQUQZQTKRM-RKDXNWHRSA-N 185.267 1.350 30 20 ADED CC[C@@H](C)[C@@H](OC)C(=O)OCC#N 308306661 OUOITXAANPDMFQ-HTQZYQBOSA-N 185.223 1.114 30 20 ADED Cc1cc(C=NNC2CC2)c(C)o1 308390180 XPYUAPJYOAXGPS-UHFFFAOYSA-N 178.235 1.982 30 20 ADED C[C@@H](CF)NC(=O)c1ccc(C#N)o1 334373488 CDAGLLXKIKOSCT-LURJTMIESA-N 196.181 1.239 30 20 ADED C=CCCC(=O)N1CCOC(C)(C)C1 336125409 YVBJXCBLVMKPSA-UHFFFAOYSA-N 197.278 1.590 30 20 ADED CC1=CCCN(C(=O)CCCC#N)C1 336579453 LIPCQEZHIHIPDM-UHFFFAOYSA-N 192.262 1.859 30 20 ADED C#CCCN(CCCCO)C1CC1 379370022 FTRMSJRIZKHZKS-UHFFFAOYSA-N 181.279 1.247 30 20 ADED 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ADED C=CCCNC(=O)N1CC=CCC1 661569529 AWQQXENAJWYJJT-UHFFFAOYSA-N 180.251 1.534 30 20 ADED C=CCN(C(=O)[C@@H](CC)OC)C1CC1 678499705 MJXNGSFVASAMEB-SNVBAGLBSA-N 197.278 1.588 30 20 ADED C#C[C@@](C)(CC)NCc1ncc(C)o1 700421371 IYYQVVQQZNOHGL-NSHDSACASA-N 192.262 1.875 30 20 ADED C#C[C@H](NC(=N)NCC)C(C)(C)C 702235458 ALDFOHXCEPGXQS-QMMMGPOBSA-N 181.283 1.168 30 20 ADED C[C@H](S[C@H](C)CCC#N)C(=O)O 709956972 NSSKMJUZNUIJMR-RQJHMYQMSA-N 187.264 1.885 30 20 ADED C=CCC[C@@H](C)NC[C@@H]1CCN1C 712577965 GOUJVLRXPMRYNG-MNOVXSKESA-N 182.311 1.635 30 20 ADED C#C[C@H](C)N[C@@H]1CCC[C@@H](OCC)C1 721261538 NJDWHSPXNMIELL-QJPTWQEYSA-N 195.306 1.945 30 20 ADED C#C[C@@H](CC)NC(=O)[C@H]1CC12CCC2 754389196 VWWFHPXQWUKUKV-VHSXEESVSA-N 191.274 1.705 30 20 ADED C#CCCOC(=O)[C@H]1CCCCN1C 765480890 KYWSXIWVUXXAPG-SNVBAGLBSA-N 195.262 1.037 30 20 ADED CO[C@@H](C)C(=O)OCC1(C#N)CCC1 768094505 FLEDAQVNQCTASE-QMMMGPOBSA-N 197.234 1.258 30 20 ADED C#CCCOC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 800296754 ZEKCKCYLIWYSPH-IVZWLZJFSA-N 196.246 1.366 30 20 ADED C[C@H](C#N)OC(=O)CSC1CC1 837873475 XFOFXJDJUBIHKD-ZCFIWIBFSA-N 185.248 1.337 30 20 ADED CC(C)(C)C#CC(=O)OCCF 838372669 VTVIMERILYGAGQ-UHFFFAOYSA-N 172.199 1.549 30 20 ADED CCN(CCO)N=Cc1ccoc1C 842538689 NOPMWSRJEZJRFC-UHFFFAOYSA-N 196.250 1.236 30 20 ADED C=C[C@H](C)ON=C(C)CCOC 844620685 OLAKHFLQRYNPEW-VIFPVBQESA-N 171.240 1.990 30 20 ADED C=C[C@H](C)NC(=O)NO[C@H](C)C=C 845629472 VUKBHTPHHBWKQA-JGVFFNPUSA-N 184.239 1.366 30 20 ADED CC(C)C#CC(=O)N1CCC[C@H](F)C1 855036499 LAXIQHQXNWZIAM-JTQLQIEISA-N 197.253 1.606 30 20 ADED C=CCCONC(=O)COC(C)C 856030577 JAFXAGBHOQIQEJ-UHFFFAOYSA-N 187.239 1.035 30 20 ADED C=CCCONC(=O)/C(C)=C\C 856032604 NPAFJRSYMCJRHJ-YVMONPNESA-N 169.224 1.577 30 20 ADED N#C[C@H]1CC[C@H](NC[C@H]2C[C@H](O)C2)C1 872126212 JRRQBWMSJKSAQC-NAKRPEOUSA-N 194.278 1.039 30 20 ADED CC#CCSCc1nonc1C 902527789 KIHDBSQWERUYQP-UHFFFAOYSA-N 182.248 1.635 30 20 ADED CC1=CC(=NNc2ncccn2)CC1 912973041 GCNXWCZWYBDNSG-UHFFFAOYSA-N 188.234 1.985 30 20 ADED C#CC1(O)CN(CCC=C(C)C)C1 934450690 OJLYBJFNDFYGSU-UHFFFAOYSA-N 179.263 1.023 30 20 ADED CC(C)c1ncc(C(=O)OCC#N)[nH]1 1318723165 ZTISVSLABNKTOM-UHFFFAOYSA-N 193.206 1.213 30 20 ADED C=C[C@H](CC)CC(=O)NC[C@H](C)CN 1340248999 LYLVXTMTJJNNTO-NXEZZACHSA-N 198.310 1.300 30 20 ADED N#C[C@H]1CCC[C@@H](OC(=O)CCF)C1 1344856946 DCIDJEFVVTWUNB-DTWKUNHWSA-N 199.225 1.972 30 20 ADED N#Cc1nccnc1NC/C=C/Cl 1613030472 TXXBBQDEJVLOGS-OWOJBTEDSA-N 194.625 1.513 30 20 ADED COc1ccccc1CNCCC#N 20199370 SLYXSAWXZUPJHA-UHFFFAOYSA-N 190.246 1.698 30 20 ADED Cc1cc(C(C)C)c(C#N)c(=O)[nH]1 38760666 GZNMYDYALSFMOX-UHFFFAOYSA-N 176.219 1.678 30 20 ADED C#CCN(C)[C@@H](C)C(C)(C)C 42253290 WFFCRPVXKIFLIK-VIFPVBQESA-N 153.269 1.986 30 20 ADED CC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N 44814926 YBALBCIVUMOSHD-VHSXEESVSA-N 194.278 1.937 30 20 ADED Cc1ccc(F)c(CC=O)c1 55230469 JQRCNRBKGHYRCF-UHFFFAOYSA-N 152.168 1.876 30 20 ADED C[C@@H](CCO)SCC#N 83812403 VVVKXMKUBUOCQL-LURJTMIESA-N 145.227 1.014 30 20 ADED C#Cc1nccc(C(F)(F)F)n1 95929710 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606265397 ALHDVYITCPUMPE-UHFFFAOYSA-N 192.262 1.204 30 20 ADED C=C[C@H](C)NC(=O)N[C@@H]1CO[C@H](C)C1 645271490 LURJYRMRJABADQ-YIZRAAEISA-N 198.266 1.038 30 20 ADED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H]1C 651071014 CTILXOXKORLULV-KYXWUPHJSA-N 195.262 1.102 30 20 ADED C=CCCC(=O)N(C[C@@H](C)O)C1CC1 655377975 HTNFOPDTSSVQJV-SECBINFHSA-N 197.278 1.324 30 20 ADED COCC#CCN(C)C[C@H]1CC1(C)C 662346216 TWWGKDVBWOHKEI-LLVKDONJSA-N 195.306 1.614 30 20 ADED C=C(C)CN(C)[C@@H](C)c1nncn1C 672553002 QEGKYCPDQRRLST-VIFPVBQESA-N 194.282 1.384 30 20 ADED C=C[C@@](C)(O)CC(=O)NC1(C)CCC1 683919424 FFQMHNMLBPYVEK-LLVKDONJSA-N 197.278 1.372 30 20 ADED N#CCCN1CCC[C@H](CF)C1 711411962 KDBPRHLYPGYZLR-SECBINFHSA-N 170.231 1.582 30 20 ADED C#CC(C)(C)NC(=O)CCOC(C)C 717708792 IAOKLQKHUBWHMG-UHFFFAOYSA-N 197.278 1.330 30 20 ADED CC#CCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 744603601 JUQYWUHRDSVFGF-GARJFASQSA-N 192.258 1.989 30 20 ADED C=CCCOC(=O)[C@@H]1C[C@@]12CCOC2 764643213 VYFGESPAOXDTTR-GXSJLCMTSA-N 196.246 1.532 30 20 ADED C#C[C@H](C)N(C)C(=O)[C@@H]1CC=CCC1 767231996 KBUKFKOGXJCEED-WDEREUQCSA-N 191.274 1.823 30 20 ADED CN(CCC#N)C(=O)C1(F)CCCC1 771911254 ZLYJGWFBQFDNDK-UHFFFAOYSA-N 198.241 1.641 30 20 ADED COC[C@H](C)NN=C(C)c1ccoc1 777893014 IONVFKOBOSLDPX-QMMMGPOBSA-N 196.250 1.628 30 20 ADED C#CCN(C)Cc1oc(CC)nc1C 794537704 YNEYMRKWTLXMFM-UHFFFAOYSA-N 192.262 1.610 30 20 ADED C#CCONC(=O)C(C)(C)CC(C)C 812782277 PMSCGZDISKHFIT-UHFFFAOYSA-N 197.278 1.740 30 20 ADED Cc1cnn(C)c1C=NOCC1CC1 814244951 OOVAHRKKFUTNBZ-UHFFFAOYSA-N 193.250 1.489 30 20 ADED C#CCONC(=O)[C@H]1CCC[C@H]1CC 832328529 MXPHRSPFTTTYAX-ZJUUUORDSA-N 195.262 1.494 30 20 ADED CCC[C@@H](OC)C(=O)OCCCC#N 835265967 VKOFUSMHJITXJS-SECBINFHSA-N 199.250 1.648 30 20 ADED C#C[C@H](NC(=O)NOCC=C)C(C)C 838712373 BISDPXDCYNXFJC-VIFPVBQESA-N 196.250 1.061 30 20 ADED CC[C@@H](C)NN=Cc1cnnn1CC 841637763 KGRVMEXPRIZBCD-MRVPVSSYSA-N 195.270 1.020 30 20 ADED C[C@@H]1C[C@@H]1C=NN1CCC[C@@H]1CO 841661802 SWFAHEINYKONEP-OPRDCNLKSA-N 182.267 1.085 30 20 ADED CC[C@H](C#N)N(C)C(=O)/C=C/SC 847168985 QXJKMPAVDUNVQI-HQZHTGGTSA-N 198.291 1.624 30 20 ADED C=C(CC)Cn1cc([C@H](C)N)nn1 849147747 QKQXFQRUYVOJLL-QMMMGPOBSA-N 180.255 1.264 30 20 ADED C#C[C@H](C)N(C)C(=S)NCC1CC1 849261373 AVFBAUSRJDHFOA-QMMMGPOBSA-N 196.319 1.224 30 20 ADED C#CCOCCN(CC=C)C(C)C 851731409 PEPGLLXROURXCM-UHFFFAOYSA-N 181.279 1.533 30 20 ADED C#C[C@@H](CC)NC(=O)NCCC=C 852276864 FBVOLTHYKBIDSK-VIFPVBQESA-N 180.251 1.274 30 20 ADED C#C[C@@H](C)N(C)c1cc(F)ncn1 853542215 XTYVPYHQWCDGDE-SSDOTTSWSA-N 179.198 1.074 30 20 ADED C#CCCOC(=O)NCCCCOC 858902727 DIDJLYNLGISXEO-UHFFFAOYSA-N 199.250 1.163 30 20 ADED CCCC=NN1CCOC1=O 863162880 DSCSQVFHPDCQKY-UHFFFAOYSA-N 156.185 1.225 30 20 ADED C#CCCN1CCC(C)(F)CC1 879381517 FAKJNSJGRIIYEH-UHFFFAOYSA-N 169.243 1.834 30 20 ADED C=CC(C)(C)CC(=O)NC1(C#N)CC1 889657284 VCDVIODGCOGPQR-UHFFFAOYSA-N 192.262 1.761 30 20 ADED CCn1cc(C=NOC)c(C)n1 901167999 UTMBVJNXFROUBD-UHFFFAOYSA-N 167.212 1.192 30 20 ADED C/C(=C(\F)C(=O)NCCC#N)C1CC1 907803648 KATHUYNYDLBNHF-VQHVLOKHSA-N 196.225 1.670 30 20 ADED C=C1CCN(CCOC2CC2)CC1 929604027 NOJQBMMTBRBZDO-UHFFFAOYSA-N 181.279 1.817 30 20 ADED C=CCN1CCCC[C@@H](NC(C)=O)C1 1034054971 VRCYTNJRGFEEHZ-LLVKDONJSA-N 196.294 1.163 30 20 ADED C=C(CC)C(=O)NCCC1CC(O)C1 1123852509 PBDNJRJPDIVWHQ-UHFFFAOYSA-N 197.278 1.230 30 20 ADED C=CC(C)(C)CNC(=O)C[C@@H](C)OC 1324820199 KYDUOAQNJYNPAS-SECBINFHSA-N 199.294 1.740 30 20 ADED C=CC(C)(C)CNc1ncc(O)cn1 1336648588 PUKJEJJVGDAWSJ-UHFFFAOYSA-N 193.250 1.806 30 20 ADED C=C(CC)C(=O)NC[C@@H](OC)C(C)C 1351512395 DSACTFNXXBZQOA-SNVBAGLBSA-N 199.294 1.740 30 20 ADED CC(C)(C#N)CNC1CC2(C1)C[C@H]2N 1575101149 UHOBDNRSUCBXTQ-INWMGODYSA-N 193.294 1.006 30 20 ADED CC#CCN(C1CCC1)[C@@H](C)C(=O)O 1588931530 YXZDBYPSNASQIF-VIFPVBQESA-N 195.262 1.337 30 20 ADED N#CC[C@H]1CCCN(CCC(=O)O)C1 1605581760 LQBUKGVHQPPXFQ-SECBINFHSA-N 196.250 1.087 30 20 ADED C[C@@H](C#N)NC(=O)Cc1ccsc1 40350249 LKBRFZFWTAFUKV-ZETCQYMHSA-N 194.259 1.319 30 20 ADED C=C(Cl)CN(CC)CC(=O)OC 49949446 BLSRJTXTCXZLQM-UHFFFAOYSA-N 191.658 1.234 30 20 ADED C[C@@]1(C(=O)O)CCN(CCCC#N)C1 62936387 XLHWONANEBZBNC-SNVBAGLBSA-N 196.250 1.087 30 20 ADED C=C(Cl)CN1CCN[C@@H](C)C1 83814502 DVQOGGPTBSAMMF-QMMMGPOBSA-N 174.675 1.033 30 20 ADED C=CC(=O)c1cccc(C)n1 83944228 OBJMUGDFEMBBRW-UHFFFAOYSA-N 147.177 1.759 30 20 ADED N#CCCNC[C@H]1Cc2ccccc21 85578279 DNQYEBPPGOSFQB-LLVKDONJSA-N 186.258 1.830 30 20 ADED C#CCN(C)C(=O)C1(C#N)CCCC1 130169169 PBCRBTCPOHKJIJ-UHFFFAOYSA-N 190.246 1.162 30 20 ADED C=C(C)COCCNCc1cc[nH]n1 131377666 ZVDDLVVDBKDIGH-UHFFFAOYSA-N 195.266 1.092 30 20 ADED C=CCC(=O)[C@@H]1CCN[C@H]1C 158013809 WQWHLTDMMJTSEN-JGVFFNPUSA-N 153.225 1.130 30 20 ADED C=CCCC(=O)N[C@H](C)C[C@@H](C)O 165120885 RZXBKCBRMJJZFV-RKDXNWHRSA-N 185.267 1.228 30 20 ADED C=CC(C)(C)COC(C)=O 200697519 QNUFWHGRCFSIJC-UHFFFAOYSA-N 142.198 1.762 30 20 ADED COCC[C@@]1(C#N)CCCOC1 203534244 XLOSJXYXIHIVRP-SECBINFHSA-N 169.224 1.343 30 20 ADED C#C[C@@H](C)N(C)C(=O)[C@H](C)CCC 218153922 UVCLRQGTCYREPD-NXEZZACHSA-N 181.279 1.903 30 20 ADED CCCOCC(=O)N[C@H](C#N)C(C)C 225757420 KITOVQUVRBVOJC-SECBINFHSA-N 198.266 1.077 30 20 ADED Cc1noc(-c2ccc(C#N)s2)n1 226760747 VZTSITBLLWUUNW-UHFFFAOYSA-N 191.215 1.978 30 20 ADED C#C[C@H](CC)NCc1csc(C)n1 229517583 CVVVUONAUYMRGV-SECBINFHSA-N 194.303 1.953 30 20 ADED CC1(C)C[C@@]2(O[C@@H]2C#N)C(C)(C)O1 306225276 AVUBTMVARHXBPI-XCBNKYQSSA-N 181.235 1.625 30 20 ADED CC#CCNC(=O)[C@@H]1C[C@H]1C1CC1 306261810 LKWXXUWNGVBHSN-VHSXEESVSA-N 177.247 1.172 30 20 ADED C#C[C@H](C)NC(=O)NCC=C(C)C 306279590 HQAVCALTWQHGLZ-VIFPVBQESA-N 180.251 1.274 30 20 ADED C[C@H]1CCCC[C@@H]1/C(N)=N/O 307252421 SFMGKSVWBXOMOV-BQBZGAKWSA-N 156.229 1.559 30 20 ADED C=CCON=Cc1ccco1 307884912 UFKNFQVQFYKIBA-UHFFFAOYSA-N 151.165 1.816 30 20 ADED CSCCCCC(=O)NCC#N 308139963 GPUKQGXUHRMJCA-UHFFFAOYSA-N 186.280 1.159 30 20 ADED C[C@@H](C#N)CNN=Cc1cccs1 308255155 KEFCMQOBKBNSLR-QMMMGPOBSA-N 193.275 1.831 30 20 ADED C#CCOCCN[C@H]1CCC[C@H]1C 308261951 NSMLGJHBEZHFIV-MNOVXSKESA-N 181.279 1.414 30 20 ADED C=C[C@@H](NC1(C2CC2)CC1)C(=O)OC 308508356 JPYONGZGQBSABC-SECBINFHSA-N 195.262 1.246 30 20 ADED C#C[C@@H](NCc1cnc[nH]1)C(C)(C)C 308555565 ZEHOMSXDDXMKIX-SNVBAGLBSA-N 191.278 1.547 30 20 ADED CC[C@H](C#N)NC(=O)c1cccn1C 334990105 RXMOLPIJNBTXFS-MRVPVSSYSA-N 191.234 1.057 30 20 ADED C=C(C)CNC(=O)N1C[C@@H](C)[C@H](C)C1 336419578 MMRXHNSZTWDBJC-NXEZZACHSA-N 196.294 1.860 30 20 ADED C=C(CC)CSCC(=O)N(C)C 379311282 JKBNLNVNPWFBJV-UHFFFAOYSA-N 187.308 1.774 30 20 ADED C#CCN(CC)CCC(F)(F)F 379316367 YKLUYUBNSMDZRJ-UHFFFAOYSA-N 179.185 1.894 30 20 ADED C=CCC[C@H](CCC)N[C@H](C)C(N)=O 379654976 JQORQLPKPYDREZ-ZJUUUORDSA-N 198.310 1.585 30 20 ADED C#CCN(CC)[C@H](CCCC)C(=O)O 382505400 VSSRDZYDFYABAV-SNVBAGLBSA-N 197.278 1.585 30 20 ADED C=CCOC(=O)CCCC#CC 388501084 MGUYWEDNXZPJHU-UHFFFAOYSA-N 166.220 1.909 30 20 ADED C=CCN(C)CCCN(C)CC=C 388712621 PYGCPYGESPEHSG-UHFFFAOYSA-N 182.311 1.612 30 20 ADED C#C[C@@H](C)N(C)CCOC1CCC1 393712831 YAKPZGGDCHGKDV-SNVBAGLBSA-N 181.279 1.509 30 20 ADED C#C[C@@H](CC)NCCC(C)(C)C(=O)O 395616991 QNYUILFFECIEGM-VIFPVBQESA-N 197.278 1.489 30 20 ADED C#CCn1nc(-c2cccnc2)cc1O 409438608 MGGKTXUQJFXGPQ-UHFFFAOYSA-N 199.213 1.284 30 20 ADED C[C@@H](O)C#Cc1cc(C=O)ccc1F 585143733 JPLAJSOXIMFTIJ-MRVPVSSYSA-N 192.189 1.371 30 20 ADED CC[C@@H](CC#N)NCCCC#N 594006598 IIGHMHVZLOLZDW-VIFPVBQESA-N 165.240 1.572 30 20 ADED CC(C)(C#N)C[C@@H](O)Cn1cccn1 598700589 CTHDXPJYAQNLRE-SECBINFHSA-N 193.250 1.184 30 20 ADED Cc1n[nH]cc1CN(C)[C@H](C)CC#N 611268633 XCQDOMFNMCOONM-MRVPVSSYSA-N 192.266 1.452 30 20 ADED N#CCC(=O)Nc1cccc(O)c1F 614009725 CFZZUWUBIFPUTD-UHFFFAOYSA-N 194.165 1.383 30 20 ADED C=C(CC)CN[C@@H](C)C[C@H](C)N 643493480 ISJUIZQZMJBTOE-UWVGGRQHSA-N 170.300 1.668 30 20 ADED C=C(CC)CNC(=O)C1(O)CCCC1 654375412 NPVVAPWDTODQAL-UHFFFAOYSA-N 197.278 1.374 30 20 ADED C=CCCNC(=O)N(C)CC#CC 665942079 CNMBUHYSUFETER-UHFFFAOYSA-N 180.251 1.227 30 20 ADED CC#CCNC(=O)N(CCC)CCC 677811501 VOKILPBLCOMPRQ-UHFFFAOYSA-N 196.294 1.841 30 20 ADED C=C[C@@](C)(CC)C(=O)NCCCOC 682358181 IHGWLPNAAQJPBV-NSHDSACASA-N 199.294 1.741 30 20 ADED C=C[C@](C)(O)CC(=O)NCC1CCC1 685606946 RTQMRNNEDLKEBC-NSHDSACASA-N 197.278 1.230 30 20 ADED C#CCOCCN(C)C(=O)C(C)(C)C 688017548 JBGUJIDRAUSLFP-UHFFFAOYSA-N 197.278 1.141 30 20 ADED C#CC(C)(C)NC(=O)[C@@H]1C[C@H]1C1CC1 699063481 OJHFQZWRTYMOCZ-VHSXEESVSA-N 191.274 1.561 30 20 ADED C#CC(=O)N1CC[C@@H](C2CCCC2)C1 708818354 OXYQRSHWUWUUAS-LLVKDONJSA-N 191.274 1.658 30 20 ADED CC[C@@](C)(C#N)C(=O)NOCC1CC1 711149399 UZKITTOPZKQHHP-JTQLQIEISA-N 196.250 1.384 30 20 ADED CC(=NNC1CCCC1)[C@@H]1CCOC1 741764214 BVRLPVRHFVOWEM-SNVBAGLBSA-N 196.294 1.931 30 20 ADED CON=Cc1ccc(C)c([N+](=O)[O-])c1 767490690 IOSYOMHDLATHAU-UHFFFAOYSA-N 194.190 1.884 30 20 ADED C#C[C@@H](C)N(C)Cc1nccn1CC 769961694 NCQOFURMLLFVLS-SNVBAGLBSA-N 191.278 1.357 30 20 ADED COC[C@H](C)NN=Cc1occc1C 777892850 DTIAUELLYXRWBZ-VIFPVBQESA-N 196.250 1.546 30 20 ADED C#CCN(C[C@@H]1C[C@H]2CC[C@H]1C2)OC 795221057 PCYKMNWAOPARAI-SRVKXCTJSA-N 193.290 1.919 30 20 ADED C#CCCN(CC1CCC1)[C@H](C)CO 796550119 CIDDYSQYRHEHEO-LLVKDONJSA-N 195.306 1.493 30 20 ADED CC[C@@H](O)CNN=C(C)C1CCCC1 811653136 HAOXYAOQWMNJHJ-LLVKDONJSA-N 198.310 1.913 30 20 ADED CC#CCOC(=O)[C@@](C)(O)C1CCC1 812672696 LZJAESFDNNNISM-NSHDSACASA-N 196.246 1.104 30 20 ADED C#CCN(CC#CC)CCOCC=C 815054882 RKGLPPNAIDWWNY-UHFFFAOYSA-N 191.274 1.148 30 20 ADED C#C[C@@H](C)NC(=O)N(C)[C@H](C)C1CC1 820441548 VXCIZSCCHMYAGS-RKDXNWHRSA-N 194.278 1.448 30 20 ADED C[C@@H]1O[C@H](C)CC1=NNC1CC1 834970079 XHSFMQNPGLBQAN-RQJHMYQMSA-N 168.240 1.292 30 20 ADED C=CCONC(=O)NC1(C(C)C)CC1 838712865 DLXWZSRXAUIHRN-UHFFFAOYSA-N 198.266 1.592 30 20 ADED C=CCNN=C1COC(C)(C)C1 841638549 WIVZPSATIOHERH-UHFFFAOYSA-N 168.240 1.317 30 20 ADED C=C[C@H](C)ON=C1CCN2CCC[C@@H]12 844621663 KQKQJDWUSHFBDD-ONGXEEELSA-N 194.278 1.802 30 20 ADED C=CCNC(=N)NCCCC1CC1 849009842 ZBVYPLVKDDKPSP-UHFFFAOYSA-N 181.283 1.477 30 20 ADED C[C@H](ON=CC1CC1)C(=O)NC1CC1 853734552 DNMKAXPARZMKAG-ZETCQYMHSA-N 196.250 1.066 30 20 ADED 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C#C[C@@H](C)N(C)C[C@@](C)(OC)C1CC1 877480350 SFSXPRWJKAEIAY-ZYHUDNBSSA-N 195.306 1.755 30 20 ADED C#C[C@H](CC)NC(=O)N(O)CCCC 904187116 GJODGKSIZRWHEG-SECBINFHSA-N 198.266 1.599 30 20 ADED C=C[C@@H](CC)CC(=O)O[C@@H]1CCOC1 909525290 MVGCZNQQZDSIPZ-VHSXEESVSA-N 198.262 1.921 30 20 ADED N#CCC[C@H](C#N)CN1CC[C@@H](F)C1 930603943 SZPYWWDPLAZEQA-NXEZZACHSA-N 195.241 1.474 30 20 ADED C/C(=C/C(=O)O)C(=O)c1ccc[nH]1 953126576 BRCPICSROSDLMP-WAYWQWQTSA-N 179.175 1.228 30 20 ADED C#C[C@H](CCC)NC(=O)[C@H]1C[C@@H]1F 1263791864 DUFVBNFMDSRQSM-VGMNWLOBSA-N 183.226 1.263 30 20 ADED C=C=CCNC(=O)NOCC(=C)C 1345952256 FKSKPVWUNVSCGJ-UHFFFAOYSA-N 182.223 1.134 30 20 ADED CCNN=C1CCC(CC(=O)O)CC1 1596494176 HZCLOMDKVOYPDO-UHFFFAOYSA-N 198.266 1.617 30 20 ADED C=C[C@H](OC(=O)C1CCCC1)C(=O)O 1602821069 UBHOOOWLOJLEAV-QMMMGPOBSA-N 198.218 1.359 30 20 ADED C=C[C@H](O)[C@@H]1CC[C@H]1COC(C)=O 2090611690 QUVWYOMVPMYPJD-AEJSXWLSSA-N 184.235 1.123 30 20 ADED C#Cc1ccnc(SC)n1 39049809 ZQPNFOFVPZSCAR-UHFFFAOYSA-N 150.206 1.180 30 20 ADED COc1ccc(C)cc1C(=O)NO 48484625 XLJGVTSXABVQCD-UHFFFAOYSA-N 181.191 1.123 30 20 ADED C[C@H](C#N)C(=O)NCc1ccsc1 63146556 KBSSKYKGBZRRBR-SSDOTTSWSA-N 194.259 1.524 30 20 ADED C=CCNC(=O)c1cccc(OC)n1 82299428 OEDXKJNLNOOXKW-UHFFFAOYSA-N 192.218 1.006 30 20 ADED C=CCSc1ncc(CO)n1C 85217507 LIJYBTYPHNQAFE-UHFFFAOYSA-N 184.264 1.191 30 20 ADED CO[C@H](C)COc1cccc(C#N)c1 164011011 ZFQRTBDOMDEBGD-SECBINFHSA-N 191.230 1.972 30 20 ADED C#C[C@@H](C)Nc1cc(C)ncn1 164858108 PEAZSIRZYAPSMV-SSDOTTSWSA-N 161.208 1.219 30 20 ADED CC1(C)CN(C(=O)CC#N)CCS1 164924432 QDBWDROONREGKN-UHFFFAOYSA-N 198.291 1.254 30 20 ADED C#CCCCCC(=O)NC(C)(C)C#C 222919598 WGKAIMHXFHCLOW-UHFFFAOYSA-N 191.274 1.708 30 20 ADED C=C(CC)CNCC[C@H]1CCOC1 232826309 KRRYPSKEVSOQLX-NSHDSACASA-N 183.295 1.969 30 20 ADED C=CCN(C)C(=O)[C@@H]1CCN[C@H](C)C1 235300831 NBQPYIIIIXZWTL-NXEZZACHSA-N 196.294 1.019 30 20 ADED C#CCN1CC[C@H](C)[C@H](C)C1 252727900 SBDGAWVIEAEUFH-VHSXEESVSA-N 151.253 1.598 30 20 ADED Cc1csc(C(=O)NCCC#N)c1 259995183 NGNVDHCYAXLLGI-UHFFFAOYSA-N 194.259 1.700 30 20 ADED COc1cccn2ncc(C#N)c12 260807419 SPNKEMWMRDAXDU-UHFFFAOYSA-N 173.175 1.215 30 20 ADED C=C[C@@H](C(=O)O)N1CCC(C)(C)CC1 301047986 QBSQWQNPRMAGDO-VIFPVBQESA-N 197.278 1.748 30 20 ADED C=C[C@@H](NCC(C)(C)CC)C(=O)OC 301051705 UVMBJZGDNWCSHR-SECBINFHSA-N 199.294 1.740 30 20 ADED C[C@@H]1CCC[C@@H](C)C1NCC#N 306237320 HXACEPCYOMTWAA-RKDXNWHRSA-N 166.268 1.924 30 20 ADED C=CCNC(=O)C1(C)CCOCC1 306280257 IBCPCGDZYOSECH-UHFFFAOYSA-N 183.251 1.105 30 20 ADED CC1(C)CCC(C=O)(CO)CC1 306380467 JWDBMOIQSQXMEN-UHFFFAOYSA-N 170.252 1.764 30 20 ADED CC1(C#N)CN(C/C=C/Cl)C1 306383980 CSIKZOYQZWSZJX-NSCUHMNNSA-N 170.643 1.584 30 20 ADED C#C[C@H](C)OC(=O)[C@@H]1[C@@H](C)C1(F)F 306484124 LVCFAVVUFDWYKQ-XVMARJQXSA-N 188.173 1.453 30 20 ADED CC[C@](C)(C#N)C(=O)N1C[C@H]2C[C@@H]2C1 306720084 MDXWGNANGSOCLB-FXPVBKGRSA-N 192.262 1.405 30 20 ADED C#CCN[C@@H](C)c1c(F)cncc1F 306760209 QSNWDVCDWFLGEI-ZETCQYMHSA-N 196.200 1.644 30 20 ADED C#CC(=O)N1[C@H](C)CC[C@H]1CC 307688363 LVLOJVFDXYXRJI-RKDXNWHRSA-N 165.236 1.409 30 20 ADED C#CCN(C)C(=O)N(C)CCC 307956248 RLEUAXMHJFZXRT-UHFFFAOYSA-N 168.240 1.013 30 20 ADED C=CCCn1nnnc1C(C)(C)C 308157013 SAXUZCJRRPLDRI-UHFFFAOYSA-N 180.255 1.547 30 20 ADED C#CCCCc1nc(COC)no1 308372999 QUJJZAFOFKAAEG-UHFFFAOYSA-N 180.207 1.172 30 20 ADED C=CCOC(=O)c1ccnnc1C 308392080 YZHASEVDELJATN-UHFFFAOYSA-N 178.191 1.128 30 20 ADED C=CCN[C@H](C)[C@H](C)C(=O)OCC 308404242 IQOKKBVPXFPOKE-DTWKUNHWSA-N 185.267 1.350 30 20 ADED C=CC(C)(C)C(=O)N1CCOCC1 335451854 XYLZDMXHYZDPFL-UHFFFAOYSA-N 183.251 1.057 30 20 ADED C=C(C)CN1CCOC[C@H](C)C1 336552561 IXBSPPZSIAHCAP-SNVBAGLBSA-N 169.268 1.531 30 20 ADED CC#CCOC(=O)[C@H](CC)SC 379328390 PDGVTFBTCNHGGT-QMMMGPOBSA-N 186.276 1.695 30 20 ADED C=C[C@@H](COC)N[C@@H](CC)COC 379361083 DIWXXCOMDWSJJB-UWVGGRQHSA-N 187.283 1.202 30 20 ADED C=CC[C@@H](CO)CNCC(C)(C)C 379398447 FQXKBRALQYJQIH-SNVBAGLBSA-N 185.311 1.807 30 20 ADED C#CCN(C)C[C@@H](C)c1nccs1 379411533 IJMRRZPCDCRNOZ-SECBINFHSA-N 194.303 1.812 30 20 ADED CC[C@H](NCCCCC#N)C(=O)OC 379494740 WYXOWUPEIOPJOX-VIFPVBQESA-N 198.266 1.221 30 20 ADED C#C[C@H](C)NCCC(C)(C)C(=O)OC 379580934 JZVKMPUNQFDMDN-VIFPVBQESA-N 197.278 1.187 30 20 ADED C#CCCCN[C@@H](CO)C1CCCC1 379637541 RZHXWMGSAYMJOS-LBPRGKRZSA-N 195.306 1.541 30 20 ADED C=CCN(C)C(=O)[C@H]1CCN[C@H]1CC 379916360 CMJMEDKNHBYTHX-UWVGGRQHSA-N 196.294 1.019 30 20 ADED CCN(C[C@H](C)OC)C(=O)[C@H](C)C#N 383074072 RZCAIOSKCLEDKD-BDAKNGLRSA-N 198.266 1.029 30 20 ADED C=CCCC(=O)NCC(F)(F)F 388392850 DNZUXERXBZHPAI-UHFFFAOYSA-N 181.157 1.631 30 20 ADED C[C@H](C#N)CNN=C1CCC[C@H]1C 388735283 WLMTWOBMANUSMM-RKDXNWHRSA-N 179.267 1.912 30 20 ADED C=C(C)CCN(C)C[C@@H](O)C1CC1 393721818 YTCDUCGOZOUSDD-LLVKDONJSA-N 183.295 1.655 30 20 ADED C=C(C)CONC(=O)NC(C)(C)C 400873082 YPKKPAOJZXPBDO-UHFFFAOYSA-N 186.255 1.592 30 20 ADED CC[C@@H]1CCC[C@@H]1CNC(=O)CC#N 590864373 QYPSWHGHLDDDIK-NXEZZACHSA-N 194.278 1.843 30 20 ADED CC#CCCSC[C@@H](C)O 591132564 RJDQOJGOYZRCBZ-MRVPVSSYSA-N 158.266 1.514 30 20 ADED N#CCCNC1CC(C(F)(F)F)C1 591767307 IRDDYDLHDWMEHC-UHFFFAOYSA-N 192.184 1.831 30 20 ADED CSCCN(C1CC1)[C@H](C)C#N 595714033 YCDAMXCTMUYNAZ-MRVPVSSYSA-N 184.308 1.726 30 20 ADED CC(C)(C#N)CC(=O)N1C[C@H]2C[C@@H]2C1 600221520 UDMMGBJQZQQTEP-RKDXNWHRSA-N 192.262 1.405 30 20 ADED COCCCN(C)C[C@@H](C)CCC#N 602450242 JOHSOFULJIVJPQ-NSHDSACASA-N 198.310 1.895 30 20 ADED C[C@@H](CNC[C@H](C)CCC#N)N(C)C 602594322 SGLIJNJTHDAGTC-MNOVXSKESA-N 197.326 1.466 30 20 ADED CCN(CCC#N)Cc1nccn1C 610485259 DVQDKDPIRGABSB-UHFFFAOYSA-N 192.266 1.156 30 20 ADED CC[C@@H](C#N)NC(=O)[C@@H]1CC[C@H](C)C1 613906259 DYZZAHHGKGXSFJ-AEJSXWLSSA-N 194.278 1.841 30 20 ADED C=CCOCC(=O)N[C@H](CC)C1CC1 618866814 SHSSLDUVVYHQEO-SNVBAGLBSA-N 197.278 1.494 30 20 ADED C=CCC[C@@H](N[C@H](C)CN)C1CC1 643519811 HWVLKEAEDPHBSL-MWLCHTKSSA-N 182.311 1.668 30 20 ADED CC#CCN(C1CC1)C1(CO)CCC1 660772389 KEESHDGXGPPYOZ-UHFFFAOYSA-N 193.290 1.389 30 20 ADED C=CCCNC(=O)Nc1ncc(C)o1 666225955 NQSISOIPSYNIAL-UHFFFAOYSA-N 195.222 1.681 30 20 ADED C[C@H]1C(C(=O)NO)=Cc2ccccc21 671996323 GXTYZZLTNZRLJN-SSDOTTSWSA-N 189.214 1.693 30 20 ADED C=CCCCCNC(=O)COCC=C 681144809 DYCKXVVAYOAIMM-UHFFFAOYSA-N 197.278 1.662 30 20 ADED C#C[C@@H](C)N(C)C(=O)c1cc(C)no1 767236716 JKVMJIINEWMCQO-MRVPVSSYSA-N 192.218 1.077 30 20 ADED CC[C@](C)(C#N)C(=O)O[C@@H](C)COC 797025790 JLYJXERBWHZPNB-WCBMZHEXSA-N 199.250 1.504 30 20 ADED C=CC[C@H](CC)NC(=O)[C@@H](CC)CO 799035135 UARFMRWBTHTADC-UWVGGRQHSA-N 199.294 1.476 30 20 ADED CC(=NNc1nc[nH]n1)c1ccco1 807997672 WLUMNYPZWLFOEL-UHFFFAOYSA-N 191.194 1.234 30 20 ADED N#Cc1cc(NC(CF)CF)ncn1 828405849 QJNVIMFAJPICOF-UHFFFAOYSA-N 198.176 1.068 30 20 ADED C=C(Cl)CN1CC[C@H](F)C1 830467409 LYBXUZPBGDTIPE-ZETCQYMHSA-N 163.623 1.783 30 20 ADED C#C[C@@H](C)OC(=O)[C@@H]1CCO[C@H]1C=C 835179883 YMGDVLMYZPWWME-BBBLOLIVSA-N 194.230 1.142 30 20 ADED C=C(C)CN1C(=O)O[C@@](C)(CC)C1=O 842120270 YRWQJTCFFSXWPM-JTQLQIEISA-N 197.234 1.710 30 20 ADED C=CCCCNC(=O)NO[C@H](C)C=C 845622014 HRGWEUIYENAUNM-SECBINFHSA-N 198.266 1.758 30 20 ADED C=CCNC(=N)NC/C=C\CC 849036424 RGLBKPIHBNEHDK-WAYWQWQTSA-N 167.256 1.253 30 20 ADED C=CCN(C[C@@H]1CCC(=O)O1)C(C)C 851731621 VSQJWXWXFNWTAU-JTQLQIEISA-N 197.278 1.588 30 20 ADED C(/C=C/c1ccco1)=NN1CCC1 872396235 YADLVLODHZIOIS-GWKRRABKSA-N 176.219 1.984 30 20 ADED Oc1ccc(F)cc1C=NN1CCC1 872396725 GIQOBTYGGUEHQJ-UHFFFAOYSA-N 194.209 1.571 30 20 ADED C=CCC[C@H](CC)NC[C@@H]1COCO1 894878963 MNSIUFLIVWJRKX-WDEREUQCSA-N 199.294 1.694 30 20 ADED C=C1CN(C(=O)c2ccc(C)cn2)C1 898700010 YGAWLDUCUDXYKR-UHFFFAOYSA-N 188.230 1.402 30 20 ADED COc1cccc([C@H](C)C(=O)NO)c1 919682171 GIKQKBDOHSOBFX-ZETCQYMHSA-N 195.218 1.304 30 20 ADED C=CC[C@@H](C)N[C@@H](C)c1cnnn1C 925432846 VACFOPHQPQLQDP-BDAKNGLRSA-N 194.282 1.430 30 20 ADED C[C@H](CC(C)(C)C#N)N[C@H]1C[C@H](O)C1 926731422 HZOYKJKNKLXWEP-OPRDCNLKSA-N 196.294 1.428 30 20 ADED C=C(C)CNC1CC(N(C)C(C)=O)C1 998323078 GNDVZYLHBUJHAP-UHFFFAOYSA-N 196.294 1.161 30 20 ADED C#CCSCC(=O)NC/C=C\CC 1119396016 ALYUDUYPLQUACI-WAYWQWQTSA-N 197.303 1.435 30 20 ADED C=C(CC)C(=O)N(C)Cc1cnc[nH]1 1263860813 IFALNPRWMAEQBH-UHFFFAOYSA-N 193.250 1.334 30 20 ADED C=CCC(C)(C)C(=O)N(CC)OC 1263937645 LLWZRFVIMCYGCW-UHFFFAOYSA-N 185.267 1.999 30 20 ADED CC[C@](C)(C#N)c1nnc(C)o1 1333091989 MJNQAPPOOFDYNK-MRVPVSSYSA-N 165.196 1.569 30 20 ADED CC(C)[C@@H](C)N(C)CCC#N 35246901 NQYQGBWJAHUFSY-SECBINFHSA-N 154.257 1.876 30 20 ADED CC#CC(=O)Nc1cccc(OC)c1 38973770 XMHSIXUJFBJVKD-UHFFFAOYSA-N 189.214 1.657 30 20 ADED C[C@H](C#N)NC(=O)c1ccc(C#N)cc1 40350354 VIYSWBIPCPGEMJ-MRVPVSSYSA-N 199.213 1.200 30 20 ADED CCC(=O)N[C@](C)(C#N)CC 40358166 SVTONMJGGIVMAF-QMMMGPOBSA-N 154.213 1.205 30 20 ADED C=CCCC(=O)N1CCC[C@H](CN)C1 54400940 XLMKMYRNGFEBRQ-SNVBAGLBSA-N 196.294 1.150 30 20 ADED N#CC1CCN(C[C@@H]2CCCO2)CC1 70212641 IUGNXPSYJHGOPE-NSHDSACASA-N 194.278 1.401 30 20 ADED C=CCCCN(C)C[C@@H](C)C(=O)O 70593084 FLIYDHDTHAWKOA-SECBINFHSA-N 185.267 1.605 30 20 ADED C=C(CC)CNCC1(C)COC1 87197441 QJAQZGGYQWZNSZ-UHFFFAOYSA-N 169.268 1.579 30 20 ADED CCO/C=C/C(=O)C1(C)CC1 87364719 RZJPEQFGVMYUMV-QPJJXVBHSA-N 154.209 1.906 30 20 ADED C=CC[C@@H]1CC[C@@H](C(=O)OCC)N1 91302022 RSKRUJXJWIRMAK-BDAKNGLRSA-N 183.251 1.246 30 20 ADED C[C@H](C#N)CNC[C@@H]1C[C@H]2C=C[C@H]1C2 107599458 RRLLEKBVHRTLSZ-RHYQMDGZSA-N 190.290 1.948 30 20 ADED C=C(Cl)CN(C)CC[C@H](C)O 128450326 AJHCBQPQKCCWSY-QMMMGPOBSA-N 177.675 1.442 30 20 ADED CC(C)(C#N)CNCC1=CCCOC1 134975643 GSINRODBWFZZPB-UHFFFAOYSA-N 194.278 1.472 30 20 ADED C#C[C@@H](C)NCc1cccc(F)c1 135165057 NLGWSYSCTRKGKR-SECBINFHSA-N 177.222 1.937 30 20 ADED CC(C)[C@@H]1CCCN(C(=O)CC#N)C1 145203913 RBJYAYQWGPJDOG-SNVBAGLBSA-N 194.278 1.795 30 20 ADED C#CCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 163159170 HSNMPXQFGOXCCN-TUAOUCFPSA-N 193.290 1.245 30 20 ADED C[C@@H]1CCCC[C@H]1CN=C(N)N 202999591 KXFRBXLAJULQPG-SFYZADRCSA-N 169.272 1.086 30 20 ADED CN(CCCCC#N)CCCCCO 227063031 DDMMDUVJDOUBBN-UHFFFAOYSA-N 198.310 1.775 30 20 ADED Cn1cc(CNC2CC2)cc1C#N 232313653 CXAUFLYIVASEFY-UHFFFAOYSA-N 175.235 1.149 30 20 ADED CC#CC(=O)NOC1CCCC1 232622868 JSXJACTYMBQEPI-UHFFFAOYSA-N 167.208 1.000 30 20 ADED C=CCN(C)C[C@H]1CCN[C@@H](C)C1 235657739 JIPULKFOCAVHSJ-QWRGUYRKSA-N 182.311 1.492 30 20 ADED CC#CC(=O)N1CCCC[C@@H](C)C1 306219992 NRQAYCCXDQGPJG-SNVBAGLBSA-N 179.263 1.658 30 20 ADED C=C(C)CS[C@@H]1CCCN(C)C1=O 306539035 PPPSLKTXFBIIFD-SECBINFHSA-N 199.319 1.917 30 20 ADED CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@H](C)C#N 306664491 WYMRHBRFHNANNY-WCABBAIRSA-N 194.278 1.697 30 20 ADED C#C[C@@H](C)NC(=O)C1(SC)CC1 307179127 HYWNGQNAWOIVNW-SSDOTTSWSA-N 183.276 1.020 30 20 ADED C[C@@H](Cc1cccs1)C(=O)NO 307341337 ZFMBXHGKZPPEPN-LURJTMIESA-N 185.248 1.432 30 20 ADED C=C(C)C[C@@]1(C=O)CCOC1 307359280 CZDDMGZDGSELRI-SECBINFHSA-N 154.209 1.558 30 20 ADED CS[C@@H](C)C(=O)NC(C)(C)C#N 307595243 LDCKBEFRTUUNHQ-LURJTMIESA-N 186.280 1.156 30 20 ADED C[C@H](C#N)OC(=O)[C@@H]1CCCCS1 307696372 KGFBGTRWKQQQTM-SFYZADRCSA-N 199.275 1.727 30 20 ADED C=C(CC)CN1C(=O)C[C@@H](C)C1=O 307746689 WDEYIKCIWBBAFO-MRVPVSSYSA-N 181.235 1.348 30 20 ADED C#CCCCOC(=O)C1CC1 307907712 UAZQIBZKTUWWTP-UHFFFAOYSA-N 152.193 1.353 30 20 ADED C#CCOC(=O)C[C@H]1CCC[C@H]1C 308281386 XDZYFMDDCBQZAR-NXEZZACHSA-N 180.247 1.989 30 20 ADED C=CCNN=Cc1ccc(C#N)s1 308335296 NSFKFISBTOKDGX-UHFFFAOYSA-N 191.259 1.729 30 20 ADED C#C[C@@H](CCC)NC(=O)[C@@H](C)SC 308440805 YVPOIGXUWFEPPW-BDAKNGLRSA-N 199.319 1.656 30 20 ADED C=CCCCC(=O)NC[C@H]1CCCN1 309634330 LVKKNOSHTVLFAM-SNVBAGLBSA-N 196.294 1.211 30 20 ADED C=CCC[C@H](CO)N[C@@H]1CCO[C@H]1C 320747065 MZRLPNXMBLAGDY-HBNTYKKESA-N 199.294 1.081 30 20 ADED CC1(C(=O)NCC#N)CCCCCC1 334178171 AAHUMJJJFMOVMR-UHFFFAOYSA-N 194.278 1.987 30 20 ADED C=C(C)CN(C)C(=O)c1cc(C)on1 334302053 ZHXQOXHJCSYZOJ-UHFFFAOYSA-N 194.234 1.631 30 20 ADED C=CCNC(=O)[C@]1(C)CCCCO1 335124414 NVIGKAJURWLQQX-JTQLQIEISA-N 183.251 1.248 30 20 ADED C=C(C)CN1CCC[C@@H](NC(C)=O)C1 336028213 NDGGEBYWDDYVPN-LLVKDONJSA-N 196.294 1.163 30 20 ADED C=CCNC(=O)N(C)CC(=C)C 379334682 POGTXEXVTBWBCT-UHFFFAOYSA-N 168.240 1.390 30 20 ADED C=CCNN=Cc1csc(CC)n1 379391393 PMIFYQDWHJPHKA-UHFFFAOYSA-N 195.291 1.815 30 20 ADED C=C(C)COC(=O)COCC1CC1 379407068 XXSVCAWSCCELKU-UHFFFAOYSA-N 184.235 1.532 30 20 ADED C#C[C@H](CCC)NC(=O)/C=C/SC 379409786 DPCNXDCGNAFPKC-FCZSHJHJSA-N 197.303 1.781 30 20 ADED C=C[C@H](CO)N[C@H](C)c1cccnc1 379657764 MTZZPSMGZNRDQM-MWLCHTKSSA-N 192.262 1.279 30 20 ADED C=CC[C@H](CC)NC(=O)C=NOC 381835835 GZPZPURCNZNYHQ-QMMMGPOBSA-N 184.239 1.090 30 20 ADED C[C@H](NCCCCC#N)[C@@H](C)O 386869835 GWKLOXLVTZASPT-DTWKUNHWSA-N 170.256 1.039 30 20 ADED CCSCCC=NOC 387823662 KTEYHSDYFFXSGL-UHFFFAOYSA-N 147.243 1.762 30 20 ADED CC[C@H](C)[C@@H](C)NCC#CCOC 388652627 SCTVNBAMAQPECG-WDEREUQCSA-N 183.295 1.660 30 20 ADED C[C@H](C#N)CN[C@H](C)[C@H]1CCCOC1 393675644 BHBXZPYCRRCPEO-MXWKQRLJSA-N 196.294 1.551 30 20 ADED COC(=O)CS[C@H]1CC[C@H](C#N)C1 590713040 WNGDXBSRVAZGJD-YUMQZZPRSA-N 199.275 1.585 30 20 ADED CCC[C@H](O)CN(C)CC(C)(C)C#N 590743134 JUZGHEWDJVACSG-JTQLQIEISA-N 198.310 1.629 30 20 ADED Cn1ncc(C#N)c1N1CC=CCC1 596187960 RJMVXBAKUBAEHN-UHFFFAOYSA-N 188.234 1.058 30 20 ADED CCN(CCCO)C[C@@H](C)CCC#N 602477111 QFVAMGLNYUFIKV-NSHDSACASA-N 198.310 1.631 30 20 ADED C[C@@H](CCC#N)CN1CCC[C@H](O)C1 602640841 RVIKRBMZEMXTSI-QWRGUYRKSA-N 196.294 1.383 30 20 ADED CC(C)[C@H](C)C(=O)N(CC#N)C1CC1 609580000 VJGDCFIPAQZMRB-VIFPVBQESA-N 194.278 1.793 30 20 ADED CC(C)[C@H](C)C(=O)N(CC#N)CC#N 609582412 TUCAXZAHABKGQI-VIFPVBQESA-N 193.250 1.154 30 20 ADED CCN(Cc1ccon1)C[C@@H](C)C#N 609850458 GMQRXJKLPSJZBJ-VIFPVBQESA-N 193.250 1.656 30 20 ADED CC[C@H](C)[C@H](C)C(=O)NC[C@@H](C)C#N 611557865 YJWQAMBFTVYVMA-GUBZILKMSA-N 196.294 1.944 30 20 ADED CC/C=C/CCN1CCOC[C@H]1C#N 613449152 ZIQNQMXMKFPWCB-PGLGOXFNSA-N 194.278 1.567 30 20 ADED COCCN(CC#N)[C@@H]1CC[C@@H](C)C1 616873160 WSVJKJRTKYGOHL-GHMZBOCLSA-N 196.294 1.647 30 20 ADED C=CCCNC(=O)[C@H]1CCO[C@@H](C)C1 617616727 FMQRGHMPEDJPTF-UWVGGRQHSA-N 197.278 1.494 30 20 ADED C=C(C)Cn1cc([C@](C)(N)CC)nn1 640804466 ZXLGDIZWIQZXEB-SNVBAGLBSA-N 194.282 1.438 30 20 ADED C=CC(C)(C)CN[C@H](C)C[C@H](C)N 643492842 OHKDVMVKHZCJBQ-VHSXEESVSA-N 184.327 1.914 30 20 ADED CC#CCN(C)CCC1(OC)CCC1 645262154 NGFWZSQXSWARBW-UHFFFAOYSA-N 195.306 1.901 30 20 ADED C=C[C@@H](O)C(=O)NC[C@H]1CC=CCC1 646768456 DTRNAWVFPZBIHE-VHSXEESVSA-N 195.262 1.006 30 20 ADED C=C[C@@H]1CCCCN1c1ncnn1C 653471427 ISWOMRYOPUPWOI-SECBINFHSA-N 192.266 1.360 30 20 ADED C=C(C)CN(C)Cc1cncn1CC 669551004 LOSMEJQRSPYUKZ-UHFFFAOYSA-N 193.294 1.911 30 20 ADED C=CCN(CC=C)Cc1n[nH]cc1C 685832720 YNYIMHLJHISOQT-UHFFFAOYSA-N 191.278 1.892 30 20 ADED C#CCN(C)[C@@H](CO)c1ccccc1 728388629 RXBYBEDBXHZSSR-LBPRGKRZSA-N 189.258 1.285 30 20 ADED C#CCCCOC(=O)C[C@@H](C)COC 756240995 TWEYIFNCNJEEFV-SNVBAGLBSA-N 198.262 1.616 30 20 ADED CC#CCNC(=O)/C=C1/CC[C@@H](C)C1 762705449 NKUIMAYQKSZXNA-QLWWJYNRSA-N 191.274 1.872 30 20 ADED CC#CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 763921662 VOMMIBVBWKJEIC-GARJFASQSA-N 193.290 1.951 30 20 ADED Cn1cnc(C=NOC2CCCC2)c1 794526595 NBSZUQIPEYFJGE-UHFFFAOYSA-N 193.250 1.713 30 20 ADED CCCCC(=O)OCCOCCC#N 815173186 IJTBRCNSWPASSB-UHFFFAOYSA-N 199.250 1.650 30 20 ADED C#CCCNC(=O)C(C)(C)SC 827693067 XCFBYQHWFRDJMK-UHFFFAOYSA-N 185.292 1.268 30 20 ADED C#CCCCN1CC[C@H](CCCO)C1 832783161 OEVHHDFWFIDTCG-LBPRGKRZSA-N 195.306 1.494 30 20 ADED C#C[C@H](CC)NC(=O)C1CC2(CC2)C1 834386697 XWTCILLJXKALNY-SNVBAGLBSA-N 191.274 1.705 30 20 ADED C=CCON=Cc1ccnn1CC 835013795 XYZQQFRDOQSQMY-UHFFFAOYSA-N 179.223 1.440 30 20 ADED C=CCON=C1CCC(C(=O)O)CC1 835015632 SFQWYSFTSOOSLW-UHFFFAOYSA-N 197.234 1.820 30 20 ADED C=CCON=C1C[C@@H](C)N(C2CC2)C1 835016121 RPURZYNGMIVECF-SECBINFHSA-N 194.278 1.802 30 20 ADED C[C@H](CO)N(C)N=C1CC2(CCC2)C1 842541849 LIDJJNKAQKVKHR-SECBINFHSA-N 196.294 1.619 30 20 ADED C[C@@H]1CCCCCC1=NOCC(N)=O 844589859 NXPPUFNBVYBDRU-MRVPVSSYSA-N 198.266 1.445 30 20 ADED C=CCN(C)Cc1cnsn1 846862303 QGANIRALKJGNOL-UHFFFAOYSA-N 169.253 1.156 30 20 ADED C=CCNC(=N)N1CCCCCC1 848980652 CCUXPYGFVUKWNW-UHFFFAOYSA-N 181.283 1.573 30 20 ADED C=C(C)CCNC(=N)N(C)C1CC1 849035359 CXRDABVLJOYUPQ-UHFFFAOYSA-N 181.283 1.571 30 20 ADED C=CCON=Cc1cnc2n1CCC2 853355764 UOWUDSOSQDWKAJ-UHFFFAOYSA-N 191.234 1.366 30 20 ADED C#CC(C)(C)N(C)C[C@H]1CCO[C@@H]1C 878514243 PQFCMVNSMZNYBF-GHMZBOCLSA-N 195.306 1.755 30 20 ADED C=CC(C)(C)CC(=O)NC[C@H](C)N 884275146 DUZWJDAZIGVNLA-QMMMGPOBSA-N 184.283 1.052 30 20 ADED C=C(CC)CNC1CCN(C=O)CC1 894775049 CQVLQYFDEPZKHQ-UHFFFAOYSA-N 196.294 1.163 30 20 ADED C=CCN(C)C(=O)c1ccns1 1120722638 XFNZAELFBOBJOD-UHFFFAOYSA-N 182.248 1.401 30 20 ADED C=C(CC)C(=O)Nc1n[nH]c(C)n1 1123553037 BNRNWKQQKNTFJD-UHFFFAOYSA-N 180.211 1.018 30 20 ADED C#C[C@H](CCC)NC(=O)NC1(C)CC1 1330717154 WMBVHXQSAVXCQO-SECBINFHSA-N 194.278 1.640 30 20 ADED C=C(C)CCC(=O)NOCCOC 1335893678 JEYNCJNPMCPJRZ-UHFFFAOYSA-N 187.239 1.037 30 20 ADED C=C(CC)C(=O)N[C@@H](CCO)C1CC1 1347042636 NBZDRWILPMXWBW-JTQLQIEISA-N 197.278 1.230 30 20 ADED O=C(O)CCCON=C1CCC1 1601995467 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183.295 1.966 30 20 ADED C[C@@H](C#N)C(=O)NC[C@@H]1CC[C@@H](C)C1 230425284 VFHLZNRFIOYBOX-KXUCPTDWSA-N 194.278 1.698 30 20 ADED C=CCNc1cc(NC)nc(C)n1 258768865 QJDOIGUSKARWGB-UHFFFAOYSA-N 178.239 1.425 30 20 ADED Cc1cc(C(=O)N[C@H](C)C#N)ns1 306161377 GBIZZENSNHUGRE-RXMQYKEDSA-N 195.247 1.093 30 20 ADED C#CCCN1CC[C@H](C(F)(F)F)C1 306403673 SFLFISDVBUOAHT-QMMMGPOBSA-N 191.196 1.894 30 20 ADED C=CCCN1CCCOCC1 306430127 NRDZZXQDPOSGPY-UHFFFAOYSA-N 155.241 1.285 30 20 ADED O=CC1([C@@H]2CCCC[C@@H]2O)CC1 306476501 YDPZDPUKLXMORL-BDAKNGLRSA-N 168.236 1.517 30 20 ADED CC#CCNC(=O)[C@H]1[C@H](C)C1(F)F 306497685 GKHRADVOKBPWLC-NKWVEPMBSA-N 187.189 1.027 30 20 ADED C=CCNC(=O)N[C@H]1CC[C@@H](C)C1 306549374 YGOGWXPHGWQRBF-BDAKNGLRSA-N 182.267 1.660 30 20 ADED C=C(C)CNC(=O)N1CCC[C@H]1C 306647472 BTEOAXPBVVGROL-SECBINFHSA-N 182.267 1.756 30 20 ADED C[C@H]1CC[C@H](CC(=O)NCC#N)C1 306981019 GFQXMHGWIGKABR-IUCAKERBSA-N 180.251 1.452 30 20 ADED C[C@@H](C#N)CN[C@H]1CCn2ccnc21 307045158 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20 ADED C=C(C)CN1[C@@H](C)CN(CC)C[C@@H]1C 336397745 WQBWBIQMYQEIPI-RYUDHWBXSA-N 196.338 1.977 30 20 ADED C[C@H]1N(CCC#N)CCOC1(C)C 336554050 JNYWWYALIXOCDN-SECBINFHSA-N 182.267 1.399 30 20 ADED C=CCCCn1ncccc1=O 379318735 MRLHMXWVWPASST-UHFFFAOYSA-N 164.208 1.210 30 20 ADED N#C[C@H]1CC[C@@H](NCCCCO)C1 379365333 ORNSNGKHRUMMOH-VHSXEESVSA-N 182.267 1.041 30 20 ADED C=CCN(C)C(=O)NC1CC=CC1 379389628 LWQIXQBVHQORPY-UHFFFAOYSA-N 180.251 1.532 30 20 ADED C#CCCCN1CC[C@H](N(C)C)[C@@H]1C 381906516 YIYHWZSNMRDRMI-RYUDHWBXSA-N 194.322 1.424 30 20 ADED C#CCCCN1CC[C@@H](N(C)C)[C@H]1C 381906519 YIYHWZSNMRDRMI-VXGBXAGGSA-N 194.322 1.424 30 20 ADED C/C=C(/C)C(=O)N[C@@H](CC)CC#N 388857006 CSUIKGTYPLDJIE-OTOXVQDCSA-N 180.251 1.761 30 20 ADED CCC(=NN[C@H]1CCOC1)C1CC1 388862950 FGRHTNPUIYYBNT-VIFPVBQESA-N 182.267 1.541 30 20 ADED C=C[C@H](C)NC(=O)[C@H](N)C[C@H](C)CC 400868093 GHNCYVTUVJPTRA-KXUCPTDWSA-N 198.310 1.441 30 20 ADED C(#Cc1ccncc1)Cn1ccnc1 585145191 HAKDOSPANCECRF-UHFFFAOYSA-N 183.214 1.330 30 20 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C=CCNC(=N)N[C@@H]1C[C@H]1C1CCC1 849045374 XANSADWNEJRYAR-VHSXEESVSA-N 193.294 1.475 30 20 ADED C=C[C@@](C)(O)C(=O)N[C@@H]1CCC1(C)C 854456398 OYBCKKHUMYYGBI-LDYMZIIASA-N 197.278 1.228 30 20 ADED C=C[C@H](C)ONC(=O)C#CC(C)C 855026366 CMOOJWPWMLOCCC-VIFPVBQESA-N 181.235 1.268 30 20 ADED C=CCOCC(=O)N[C@@H]1C=CCC1 855423046 CJQQZDXXULKCGV-SECBINFHSA-N 181.235 1.024 30 20 ADED C=CCCCC(=O)NC[C@H](O)CC 855743924 ZTWOEACXZHIDIY-SECBINFHSA-N 185.267 1.230 30 20 ADED CON=C1CCOC(C)(C)C1 872341318 NFNKECXKLKWDDB-UHFFFAOYSA-N 157.213 1.578 30 20 ADED C=CCCNC(=O)N1C[C@H]2C[C@H]2C1 889337792 GWCCOHMSUSFADT-DTORHVGOSA-N 180.251 1.224 30 20 ADED C=C1CN(C(=O)c2ccn(C)c2)C1 898699080 YKKKMNRVNHWIDX-UHFFFAOYSA-N 176.219 1.037 30 20 ADED N#Cc1ccnc(NC(=O)C(F)F)c1 1142781694 HUXOPSGCQAMNGN-UHFFFAOYSA-N 197.144 1.157 30 20 ADED CC/C(C)=C/C(=O)N1CC(C#N)C1 1261266482 JQDMVLSNCZHFAH-XBXARRHUSA-N 178.235 1.325 30 20 ADED C=CCN(C)C(=O)NC/C=C\C1CC1 1261283663 DBNAIPSQTHUXRU-PLNGDYQASA-N 194.278 1.780 30 20 ADED 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C=C(C)C[C@H](C)C(=O)NCCCNC 653045125 WITPIOZSSJPFFU-JTQLQIEISA-N 198.310 1.314 30 20 ADED C=CCCC(=O)NC[C@H]1CC[C@H](C)O1 654761542 GGVOYOHSNJWGJF-VHSXEESVSA-N 197.278 1.636 30 20 ADED C=C(C)CN1CC2CC1(C(=O)O)C2 656759461 GWKMHSKLPASUJH-UHFFFAOYSA-N 181.235 1.112 30 20 ADED C=C1CCN(C(=O)c2ncc[nH]2)CC1 668303459 IPJCZFZFESOGPY-UHFFFAOYSA-N 191.234 1.202 30 20 ADED C=CCCC(=O)N1CCn2nccc21 671589927 JRRYUYJKOXOSHL-UHFFFAOYSA-N 191.234 1.196 30 20 ADED C=C[C@@H](NC1(C2CC2)CC1)C(=O)O 697421731 SIVABTDHLIINLT-MRVPVSSYSA-N 181.235 1.158 30 20 ADED C/C=C/C=C\C(=O)N(C)[C@@H](C)CC#N 700885857 JZMLYHJRPTUVGM-IAYQKGBCSA-N 192.262 1.879 30 20 ADED C=CCC[C@@H](C)NC[C@H]1C[C@H](O)C1 720919830 XJSHXNWVPXORPO-GMTAPVOTSA-N 183.295 1.702 30 20 ADED C[C@@H](C#N)CNC(=O)C=C1CCCC1 732111087 AAWDJRFPMUCWSG-VIFPVBQESA-N 192.262 1.763 30 20 ADED C#CCN(CC)Cc1c(C)noc1C 746457616 MXRXOWLSCPAPRN-UHFFFAOYSA-N 192.262 1.747 30 20 ADED C#CCOCCC(=O)OC[C@@H](C)CC 756310180 SPXBKYSXXCIPOY-JTQLQIEISA-N 198.262 1.616 30 20 ADED CC[C@@H](CC#N)NC(=O)C1=COCC1 762721620 BDPWNKYUZGRESP-VIFPVBQESA-N 194.234 1.099 30 20 ADED C=CCNC(=O)Nc1cccc(F)n1 768126939 ZUPZREBZDHSHKR-UHFFFAOYSA-N 195.197 1.528 30 20 ADED CON=CC(=O)N1CCC[C@H](C)CC1 773873493 PYRZEQDBEYZNCP-VIFPVBQESA-N 198.266 1.267 30 20 ADED C=CCCCC(=O)N[C@H](CO)C(C)C 778409820 NPIYCKTZIXSQKZ-SNVBAGLBSA-N 199.294 1.476 30 20 ADED C[C@H](C#N)OC(=O)C[C@@H]1CCCOC1 795913240 LUNOUANETJKJBU-BDAKNGLRSA-N 197.234 1.258 30 20 ADED N#Cc1cnccc1N1CC2(CC2)C1 828364379 AEOQQYQFIHQVBE-UHFFFAOYSA-N 185.230 1.553 30 20 ADED CC(=NOC(C)C)[C@H]1CCOC1 835000354 MJLNBYZIINPJPW-VIFPVBQESA-N 171.240 1.824 30 20 ADED C#CCNC(=O)N[C@@H]1C[C@@]1(C)C(C)C 837361983 DUNLUYPAZUMNOJ-KOLCDFICSA-N 194.278 1.353 30 20 ADED C=C[C@](C)(CC)C(=O)O[C@H]1CCOC1 837659804 XOEFCQOKHULVIW-GXSJLCMTSA-N 198.262 1.921 30 20 ADED CON=CC(=O)N[C@@H]1C[C@]1(C)C(C)C 838035076 AOAFZHOQPLZPOE-PSASIEDQSA-N 198.266 1.169 30 20 ADED C=CCCOC(=O)CC1(O)CCC1 838211913 GGPUBKYDDCUSMG-UHFFFAOYSA-N 184.235 1.411 30 20 ADED C[C@@H]1CC(=NO[C@@H]2CCCCO2)CO1 842528063 HCSAQMJUYSGCNY-PSASIEDQSA-N 199.250 1.694 30 20 ADED C=C(C)CONC(=O)N(C)C(C)C 845601881 WBHFRNMIDCMERE-UHFFFAOYSA-N 186.255 1.544 30 20 ADED CC[C@@H](C)NC(=N)NCCCCC#N 849003228 YCMHBLOQIORATR-SECBINFHSA-N 196.298 1.593 30 20 ADED CC[C@@H]1C[C@H]1CN=C(N(C)C)N(C)C 849036022 UMAAESYLTDJXMH-ZJUUUORDSA-N 197.326 1.512 30 20 ADED C=CCCNC(=O)CC1(O)CCCC1 855381680 BIDNFQXNPSADJB-UHFFFAOYSA-N 197.278 1.374 30 20 ADED CC(=O)CCCOC(=O)C(C)(C)C#N 919350146 JNUPJTJMMRYEPY-UHFFFAOYSA-N 197.234 1.449 30 20 ADED C=C(Cl)CNC(=O)[C@](C)(O)CC 933170449 PXWGPHUQXICYEP-MRVPVSSYSA-N 191.658 1.016 30 20 ADED C=C(C)CCC(=O)N[C@@H]1CCOC1 1120710109 FMBQEAMUFDOBOD-SECBINFHSA-N 183.251 1.248 30 20 ADED C=CCCCCOC(=O)CCC(N)=O 1344994721 RFNHZBISBDBIOZ-UHFFFAOYSA-N 199.250 1.151 30 20 ADED Cc1nc[nH]c1C(=O)OCCCC#N 1517693772 WFVOQNQKKSVJCV-UHFFFAOYSA-N 193.206 1.179 30 20 ADED C#C[C@H](C)N[C@@H](C(=O)O)[C@@H](C)CC 1588368448 NEWHJNMCFJWVHL-XHNCKOQMSA-N 183.251 1.097 30 20 ADED C#CC[C@H](NCC(CC)CC)C(=O)O 1588423165 YJTYOKQQXKTKKP-JTQLQIEISA-N 197.278 1.489 30 20 ADED C=C(CC)C(=O)N[C@H](C)/C=C/C(=O)O 1602772207 ODBRBDXPKGPLLD-HQZHTGGTSA-N 197.234 1.098 30 20 ADED C=CCNC(=S)NCCCC 5552019 XEWPZUVTMVZAKF-UHFFFAOYSA-N 172.297 1.437 30 20 ADED C=CCc1c(CO)cccc1OC 34408298 ISHSNXMXBLGLCF-UHFFFAOYSA-N 178.231 1.916 30 20 ADED C#CCNC1(C(=O)O)CCCCCC1 41730849 MQPDRGGTABGHSV-UHFFFAOYSA-N 195.262 1.387 30 20 ADED CCN(CC#N)Cc1nc(C)c(C)o1 45061353 MUZWZFMSQQWTNX-UHFFFAOYSA-N 193.250 1.637 30 20 ADED C=CCN(CC=C)CC(=O)NCCC 66215727 WCTRCAPYFBQVPV-UHFFFAOYSA-N 196.294 1.187 30 20 ADED N#Cc1ncc2c(Cl)nccn12 75847124 IJASHXDQFDVNKM-UHFFFAOYSA-N 178.582 1.254 30 20 ADED C#C[C@@](C)(O)c1cccs1 83052691 QSCVJRNVZFSSIF-MRVPVSSYSA-N 152.218 1.589 30 20 ADED C=C(CC)CSc1nnc(N)n1C 85059421 LCIFCKYEWXZZBC-UHFFFAOYSA-N 198.295 1.456 30 20 ADED C=CC[C@H](NC(=O)C=C(C)C)C(=O)O 127432342 ZXXAJURIJLMWHB-QMMMGPOBSA-N 197.234 1.098 30 20 ADED C=CCOC(=O)c1cc(O)ccc1O 140079641 CPZYNDLDJOWGAJ-UHFFFAOYSA-N 194.186 1.441 30 20 ADED C=C[C@@H](C)NC(=O)CCCCCCN 158211214 APVSFNTUHQUJIG-SNVBAGLBSA-N 198.310 1.586 30 20 ADED C#C[C@@H](C)NC(=O)c1ccc(C#N)cc1 165258501 AQSRTPLDNSATTI-SECBINFHSA-N 198.225 1.310 30 20 ADED CO[C@@H](C)CN1CCC[C@H](C#N)C1 167144537 JVQNJRHOGAVOKW-VHSXEESVSA-N 182.267 1.257 30 20 ADED C=C(C)CNC(=O)Cc1ccsc1 167672825 FQPRJXWDPQOTCI-UHFFFAOYSA-N 195.287 1.983 30 20 ADED C#C[C@H](CC)N[C@@H](C)COC 229507792 PTHKHWWLSBVPKN-DTWKUNHWSA-N 155.241 1.023 30 20 ADED C=C(C)CN[C@H]1C[C@@H](OC)C1(C)C 234855986 NYDDVBNVRRFXNQ-VHSXEESVSA-N 183.295 1.966 30 20 ADED COCC[C@@]1(C#N)C[C@H]2CC[C@H]1O2 250478128 UXSBNSZWLNJWBK-BBBLOLIVSA-N 181.235 1.484 30 20 ADED Cc1nc(C#N)cc(N(C)C(C)C)n1 258840433 OZYHZYXPSSOSAK-UHFFFAOYSA-N 190.250 1.501 30 20 ADED COC(C)(C)[C@@]1(C)O[C@@H]1C#N 306463860 LWPSRRJCULJVIT-SVRRBLITSA-N 155.197 1.092 30 20 ADED C=CC(C)(C)CNc1cc(N)ncn1 306802187 AAYWABAKKJSJCZ-UHFFFAOYSA-N 192.266 1.683 30 20 ADED C#CCN1CCCC2(CC2)C1 307100823 UELCCFFGXGJVND-UHFFFAOYSA-N 149.237 1.496 30 20 ADED C#C[C@@H](C)NC(=O)NCC1(C)CC1 307234892 FOPOAJGGUNMXQP-MRVPVSSYSA-N 180.251 1.107 30 20 ADED C#CC(C)(C)NC(=O)/C(C)=C\C 307307086 YPUNZQMHJWTRPW-VURMDHGXSA-N 165.236 1.481 30 20 ADED CCc1cc(NC[C@H](C)C#N)ncn1 307308335 DXYFCUJFDYCXKS-MRVPVSSYSA-N 190.250 1.611 30 20 ADED CC#CCOC(=O)CC1CC1 307567847 RFPAMMVASNENJD-UHFFFAOYSA-N 152.193 1.353 30 20 ADED C#CC(=O)N[C@H](C)CC(F)(F)F 307744284 OGMKFYGVHOIPHT-RXMQYKEDSA-N 179.141 1.077 30 20 ADED C=C[C@@H](C)NC(=O)C[C@](C)(O)C=C 308278075 VZPBZTJOUSMQEM-PSASIEDQSA-N 183.251 1.004 30 20 ADED C[C@@H]1CC[C@@H](C)N1CCC#N 336553887 YNZZUWJYCRENTH-RKDXNWHRSA-N 152.241 1.773 30 20 ADED C#CCOC(=O)CCc1ccoc1 379365097 OGMINFPIKCRJNN-UHFFFAOYSA-N 178.187 1.389 30 20 ADED C=C[C@H](C)N[C@@H](C)C[C@@H]1CCC(=O)N1 379504841 NAOXMQVNWDRDLB-GUBZILKMSA-N 196.294 1.208 30 20 ADED C[C@H](CCO)N[C@H]1CCC[C@H](C#N)C1 379573899 JLJMBRSNZVQJQF-VWYCJHECSA-N 196.294 1.429 30 20 ADED C=C[C@@H](NCC1=CCCCC1)C(=O)O 379584874 WRFPYLPRNNWVAR-SNVBAGLBSA-N 195.262 1.716 30 20 ADED C=C(C)CCNc1cc(OC)ncn1 387409213 MBCTURNGFDQXCA-UHFFFAOYSA-N 193.250 1.863 30 20 ADED C=CCCC(=O)NCCCC#N 388413435 ZJAVRUQMAYUEFP-UHFFFAOYSA-N 166.224 1.373 30 20 ADED C[C@H]1CCCC1=Nn1cnnc1 388424908 JSIFIYFTTREMFR-ZETCQYMHSA-N 164.212 1.302 30 20 ADED C#CCN[C@@H](CCO)c1ccccc1 389227631 RHNKLDOXMQOQQB-LBPRGKRZSA-N 189.258 1.333 30 20 ADED C#C[C@H](C)NCc1n[nH]c2ccccc12 389584284 IUESQPYSIQXBIW-VIFPVBQESA-N 199.257 1.674 30 20 ADED C#CCN[C@H](C(C)C)C1(CO)CCC1 393945972 FTIKVEYJIJOLLY-LLVKDONJSA-N 195.306 1.396 30 20 ADED C=CCCCN[C@@H]1C[C@H](N)C1(C)C 405342168 DMBHXEHZVKFEJR-VHSXEESVSA-N 182.311 1.668 30 20 ADED CO[C@H](CNC(=O)CC#N)CC(C)C 591321209 KLFRKNOPHDLUCJ-VIFPVBQESA-N 198.266 1.077 30 20 ADED C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 603265982 IUXJLDBZDIKMGY-SSDOTTSWSA-N 189.218 1.121 30 20 ADED C#CC(=O)Nc1cccc(OCC)c1 606260994 KSCZHTPZRJDIMK-UHFFFAOYSA-N 189.214 1.657 30 20 ADED C=CCCNC(=O)[C@@](C)(OC)C1CC1 617618321 KTNNMICXJZLHPP-NSHDSACASA-N 197.278 1.494 30 20 ADED C=CCCNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 617618506 SCEQQDGOMFCFES-IVZWLZJFSA-N 197.278 1.492 30 20 ADED C=C[C@H](C)NC(=O)N[C@H]1C[C@H](OC)C1 623747374 WMLNKQXPMDJEHN-CIUDSAMLSA-N 198.266 1.038 30 20 ADED C=CCCCCN[C@@H]1CCC[C@@H]1N 643481952 MWLJOOZYPXVGST-WDEREUQCSA-N 182.311 1.812 30 20 ADED CC#CCN(C)Cc1cc(C)n(C)n1 645262351 VWPPGZTXHSEJCG-UHFFFAOYSA-N 191.278 1.184 30 20 ADED C=CC(C)(C)C(=O)N(C)CCCO 650063247 CYDJQXPLLGJEDY-UHFFFAOYSA-N 185.267 1.039 30 20 ADED C=C[C@](C)(O)CC(=O)NC/C=C\CC 650823505 VYGZFPYOLLEWJJ-ZADCQDASSA-N 197.278 1.396 30 20 ADED C=CCCN(C1CCC1)[C@H](C)C(=O)O 659795443 MNNDHHLYPROVED-SECBINFHSA-N 197.278 1.890 30 20 ADED C=C(CC)CN(CC)[C@@H](C)C(=O)O 707971845 REJJILAEWWRYQY-VIFPVBQESA-N 185.267 1.748 30 20 ADED C#CC[C@H](CO)N[C@H](CC)C(C)C 717746869 ACSMTKLKIVWDAI-GHMZBOCLSA-N 183.295 1.395 30 20 ADED COCC#CCOC(=O)C=C1CCC1 762827648 IZPMYLIXMZOFEZ-UHFFFAOYSA-N 194.230 1.290 30 20 ADED C=C(CN(C)C)C(=O)NCCC(C)C 763898566 DEWAIMHTJXJHOC-UHFFFAOYSA-N 198.310 1.267 30 20 ADED CC#CCCOC(=O)CC1(CO)CC1 765497591 UXNHAHXPOUFIFZ-UHFFFAOYSA-N 196.246 1.106 30 20 ADED C#CCC(C)(C)C(=O)N[C@@H](C)COC 767047933 WHNKDEUTDJWGKI-VIFPVBQESA-N 197.278 1.187 30 20 ADED CCn1nccc1C=NOCC1CC1 814245300 WKCLRPOMSAXRFJ-UHFFFAOYSA-N 193.250 1.664 30 20 ADED Cn1ccc(C=NOCCC2CC2)n1 814941282 ULQFSNSAOKRYCM-UHFFFAOYSA-N 193.250 1.571 30 20 ADED C[C@@H]1C[C@@H]1C=NN[C@@H]1CCC[C@H]1O 817334513 JSYRIQCIHHZZAA-ZYUZMQFOSA-N 182.267 1.131 30 20 ADED C=C(C)CNC(=O)NOCCC 828312790 HREUCPIBACHVMF-UHFFFAOYSA-N 172.228 1.203 30 20 ADED C=CCOCCN[C@@H]1COC[C@H]1CC 829419026 GUWNKWHIMXFELG-GHMZBOCLSA-N 199.294 1.204 30 20 ADED C=C(C)CN(C)C(=O)[C@H](C)CC(=O)O 833368393 GYDJGSADXBFKOG-MRVPVSSYSA-N 199.250 1.132 30 20 ADED CC(CCCO)=NOC(C)C 835002020 LIWANAAUYDKRTE-UHFFFAOYSA-N 159.229 1.560 30 20 ADED C=CCCC(=O)O[C@@H]1CCOC[C@@H]1C 835777498 IKQQHNHOYPQZBQ-VHSXEESVSA-N 198.262 1.921 30 20 ADED Cc1nc(C=NOC(C)C)[nH]c1C 853353475 CHVTWESJSKYIGH-UHFFFAOYSA-N 181.239 1.785 30 20 ADED CC(C)C#CC(=O)NCC1=CCCC1 856097586 OCELMZMPIZJRQH-UHFFFAOYSA-N 191.274 1.872 30 20 ADED C#CCCOC(=O)N[C@@H](CC)COC 859001115 MNONIYREMVHDQO-VIFPVBQESA-N 199.250 1.161 30 20 ADED CC(=NN1CCC1)c1cc(C)n(C)n1 872397923 WBHJOFYHNGLQHH-UHFFFAOYSA-N 192.266 1.158 30 20 ADED CC[C@@H](C)NN=C1COC[C@@H]1C 884454288 JRDRAXWVZQFSMT-JGVFFNPUSA-N 170.256 1.397 30 20 ADED C=CCCOCC(=O)OC1(C=C)CC1 893366643 SSFFZIBFNPHSAO-UHFFFAOYSA-N 196.246 1.841 30 20 ADED N#C[C@H]1CCC[C@H](OC(=O)CCF)C1 1344856948 DCIDJEFVVTWUNB-IUCAKERBSA-N 199.225 1.972 30 20 ADED CCON=CC[C@@H](C)C(=O)O 1596968758 NLJSNGJQJBUACJ-ZCFIWIBFSA-N 159.185 1.120 30 20 ADED N#CCCCNC1CC(CC(=O)O)C1 1610621438 JKBMZLYZVKETKQ-UHFFFAOYSA-N 196.250 1.133 30 20 ADED CCC[C@H](C)NC(=O)CC#N 19518627 BMIQDKFYLNMUGK-ZETCQYMHSA-N 154.213 1.205 30 20 ADED N#CCOC(=O)c1ccccc1O 26779683 ZTYZNOGSMXKEKP-UHFFFAOYSA-N 177.159 1.073 30 20 ADED COC(=O)[C@@H](C)c1ccc(C#N)cc1 34883434 QJWJIZXXJBUULG-QMMMGPOBSA-N 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