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C=CCn1cc(C(=O)N[C@H](C)CNCC(=O)NC)nn1 1715951525 LTJHOSDHGZTHQQ-SECBINFHSA-N 280.332 -1.082 30 10 CAEE C#CCNC[C@@H](O)CNC(=O)c1cn(CC(N)=O)nn1 1716112140 HTANAPGNZJJWDG-MRVPVSSYSA-N 280.288 -2.923 30 10 CAEE C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1716473710 ZNFKRZFKWDKLEM-WDEREUQCSA-N 294.355 -1.549 30 10 CAEE C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 1717915639 WJUKPYPGQCUDHB-VXGBXAGGSA-N 281.356 -1.055 30 10 CAEE CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)C(C)(F)F 1725680184 HOXRXDGOMYURQP-MRVPVSSYSA-N 292.286 -1.310 30 10 CAEE N#CCN1CCN(CCCNC(=O)Cn2ncnn2)CC1 1731357513 JXYUOVGFSGWRSY-UHFFFAOYSA-N 292.347 -1.679 30 10 CAEE C[C@H](CNCC#N)CNC(=O)CCCS(N)(=O)=O 1732358720 VIEXCWSOOPGNED-SECBINFHSA-N 276.362 -1.079 30 10 CAEE COCC(=O)N(C)CCN(C)CC(=O)NCC#N 1732573408 QKPCORLOTVVKGW-UHFFFAOYSA-N 256.306 -1.337 30 10 CAEE C=CCOCCNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 1733009326 CJCPTYQZSQEQHQ-VHSXEESVSA-N 270.333 -1.035 30 10 CAEE COCC#CCN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 1734338923 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C#CC[C@@H](C(=O)NCCNS(N)(=O)=O)C1CC1 2020011562 VZSOPSHGZJUCEF-SECBINFHSA-N 259.331 -1.055 30 10 CAEE CC#CC[C@H](N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 2028860089 ZFKKCXPOLMLZKX-UWVGGRQHSA-N 273.358 -1.123 30 10 CAEE C#CCN(C(=O)N[C@@H](CO)C(=O)O)[C@H]1CCOC1 2029374274 RIIISIOMEHPDDZ-IUCAKERBSA-N 256.258 -1.134 30 10 CAEE COCCCN=C(NN)N[C@H](C)C1CS(=O)(=O)C1 2029392935 XDSUXMAJMGMWMT-MRVPVSSYSA-N 278.378 -1.135 30 10 CAEE C#CCC[C@@H](N)C(=O)N1CCN(CC(N)=O)CC1 2041168436 UIOGOVQCGIJECY-SNVBAGLBSA-N 252.318 -1.643 30 10 CAEE CN(CCC#N)C(=O)CN1CC[C@@H](CO)[C@H](N)C1 2058539163 CGRQWJVDMIPLMT-WDEREUQCSA-N 254.334 -1.000 30 10 CAEE N#CCCN1CCN(C(=O)[C@]2(O)CCNC2)CC1 2063364955 KSLDQWAYNUUVCK-LBPRGKRZSA-N 252.318 -1.231 30 10 CAEE COC[C@H](C)N=C(NN)N1CCNC(=O)C12CC2 2068298932 GIMGMMNPFASODE-QMMMGPOBSA-N 255.322 -1.195 30 10 CAEE C#CCOCCOCCNC(=O)[C@H](N)C(C)(C)O 2069492881 VWYXVAVVXRSCOU-JTQLQIEISA-N 258.318 -1.133 30 10 CAEE C#CCNC(=O)[C@@H](C)[S@@](=O)C[C@@H](N)C(=O)OCC 2074706673 CIEDFVHNUBHKQK-OOSSNNJISA-N 274.342 -1.237 30 10 CAEE C=CCO[C@H](C)CNC(=O)[C@]1(O)CCNC[C@H]1O 2076804678 CKKMTWVXBBTHQY-FOGDFJRCSA-N 258.318 -1.221 30 10 CAEE C=CCN(CC(=O)O)C(=O)[C@@]1(O)CCNC[C@@H]1O 2076809426 WUMNQVLRKMEQSZ-GZMMTYOYSA-N 258.274 -1.829 30 10 CAEE CC(=O)N[C@H](CS)C(=O)N1CC[C@H](O)C[C@@H]1CO 2080490326 JYSUMMBCXKOWGD-KXUCPTDWSA-N 276.358 -1.235 30 10 CAEE CC(C)(C#CC(=O)O)NC(=O)[C@H](F)C1(O)CNC1 2082721462 UFLZWQHESFYHAT-QMMMGPOBSA-N 258.249 -1.358 30 10 CAEE C#CCN1CC[C@H](NC(=O)C[C@H](N)C(=O)OC)C1 2083722560 HJEQWLBXYXGJNS-UWVGGRQHSA-N 253.302 -1.300 30 10 CAEE C#CCC[C@H](NC(=O)CN1C(=O)CNC1=O)C(=O)O 2102891438 USVKHWWDBABPLA-ZETCQYMHSA-N 267.241 -1.479 30 10 CAEE C[C@@H]1CN(S(=O)(=O)N2CCN(C)[C@@H](C#N)C2)CCN1 2103306407 AGQGXSADSNVPDK-MNOVXSKESA-N 287.389 -1.336 30 10 CAEE COCCN=C(NN)NCc1nnnn1C(C)(C)C 2113105244 ONSUQUWDQYWINS-UHFFFAOYSA-N 270.341 -1.017 30 10 CAEE N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2)CCN1C1CC1 2115176530 ISFLKTSJOFFMEY-UTUOFQBUSA-N 264.329 -1.092 30 10 CAEE C#CCCOCC(=O)N(C)CC(=O)N1CCNCC1 2130671984 NBICCLOGWKIEIJ-UHFFFAOYSA-N 267.329 -1.084 30 10 CAEE C#CCNC(=O)CCNS(=O)(=O)CCCC(=O)OC 2132096997 KUZKGDMUHBZULR-UHFFFAOYSA-N 290.341 -1.002 30 10 CAEE C[C@](O)(CO)[C@@H]1CCN(C(=O)NCC#CC(=O)O)C1 2138105625 VFFCDJUZTDDSFI-SKDRFNHKSA-N 270.285 -1.151 30 10 CAEE O=C(c1ncc(C#CCO)cc1F)N1C[C@@H](O)[C@H](O)C1 2167580308 OUGKNIRRAMAKAJ-GHMZBOCLSA-N 280.255 -1.258 30 10 CAEE C#CCN(C)CCNC(=O)N1CC(O)([C@H](F)C(=O)O)C1 2172291476 CNCRFKPUEZQQSV-SECBINFHSA-N 287.291 -1.270 30 10 CAEE CCc1c(C#N)c(O)nc(=O)n1[C@@H]1CS(=O)(=O)C[C@@H]1O 2177951828 JUBFMWUOOVVRTM-BDAKNGLRSA-N 299.308 -1.287 30 10 CAEE NC(=NO)c1ccnc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)n1 2183637916 NHIPVDHESSXUSA-SFYZADRCSA-N 281.272 -2.118 30 10 CAEE NC(=NO)c1cc2c(nc1N1C[C@@H](O)[C@H](O)C1)COC2 2186260213 PCEDBGHWQWGXIM-NXEZZACHSA-N 280.284 -1.252 30 10 CAEE C#CCNC(=O)CNC(=O)N[C@H]1COC[C@@]1(C)C(=O)O 2188600005 DIXBEUMDBRDNCQ-QPUJVOFHSA-N 283.284 -1.475 30 10 CAEE C=C[C@]1(O)CCN(C(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)C1 2195079284 STJOPKNINRIICG-RWYTXXIDSA-N 283.284 -1.482 30 10 CAEE C#CCN1CC[C@@H](NC(=O)Cn2nc(O)ccc2=O)C1 2204200175 RYNOIFCAAIYUNJ-SNVBAGLBSA-N 276.296 -1.227 30 10 CAEE N#C[C@]12CN(C(=O)[C@H]3C[C@@H](O)CN3)C[C@@H]1CCO2 2222016780 FBMIDQYWMZLHQU-XNDJQWLSSA-N 251.286 -1.150 30 10 CAEE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)[C@H](N)CCCC#N 2225513191 GDNHPYHJLWVSOI-ZNSHCXBVSA-N 271.317 -1.413 30 10 CAEE C#C[C@H]1COCCN1C(=O)N1C[C@H](O)C[C@H]1C(=O)O 2228880492 GXCHNBPPOCRHMF-AEJSXWLSSA-N 268.269 -1.040 30 10 CAEE N#C[C@]12CN(S(=O)(=O)N3CC(CN)C3)C[C@@H]1CCO2 2229543968 DUGUUFZQDPIYSB-QWRGUYRKSA-N 286.357 -1.264 30 10 CAEE N#C[C@@]12CN(C(=O)NC[C@@H](O)C(=O)O)C[C@@H]1CCO2 2229544794 LCWZJGKDVXJKMX-VAOFZXAKSA-N 269.257 -1.244 30 10 CAEE N#CC1CN(S(=O)(=O)NCc2[nH]ccc(=O)c2O)C1 2230854640 XIONBEHCAUFAPP-UHFFFAOYSA-N 284.297 -1.130 30 10 CAEE C=C1CC(CO)(NC(=O)[C@@H]2Cn3cnnc3CN2)C1 2265358237 BJRRCRDADVBRNX-VIFPVBQESA-N 263.301 -1.053 30 10 CAEE NC(=O)[C@H]1OCC[C@@H]1NCc1csc(C(N)=NO)n1 2271154070 RKNNRORIQYCCNB-BQBZGAKWSA-N 285.329 -1.030 30 10 CAEE N#CC1(CN2C[C@H](O)[C@@H](O)[C@H](CO)C2)CCOCC1 2273710374 TXXXHXPVZLBBBP-SRVKXCTJSA-N 270.329 -1.047 30 10 CAEE N#Cc1cc2c(n(C[C@H](N)C(N)=O)c1=O)CCOC2 2277618977 SZZVBVSFVPHOMG-VIFPVBQESA-N 262.269 -1.395 30 10 CAEE C#CC#CC1CN(S(=O)(=O)C[C@@H](N)C(=O)O)C1 2300092145 RBALMXILRBUUJV-SECBINFHSA-N 256.283 -1.704 30 10 CAEE C[C@@H]1CNCCN1S(=O)(=O)NCCC#CCO 2303693961 KJNNOXDZHIYGRJ-SNVBAGLBSA-N 261.347 -1.500 30 10 CAEE C#CC[C@@H](N)C(=O)N1C[C@@H](OC)[C@@H](OC)[C@@H]1CO 2312287088 NAYLDFHEGUWYMQ-YTWAJWBKSA-N 256.302 -1.430 30 10 CAEE C#C[C@@H](C)N1CCN(C(=O)[C@@H](N)CC(=O)O)CC1 2315342920 LQNOENAJCPFZKQ-ZJUUUORDSA-N 253.302 -1.046 30 10 CAEE CC#CCN(CC(=O)O)C(=O)N[C@@H]1CNC(=O)C1 2316040361 KHMIADMNGGTCMT-QMMMGPOBSA-N 253.258 -1.006 30 10 CAEE C[C@@H](C#CC(=O)O)NC(=O)NCC1CS(=O)(=O)C1 2318647210 GPOMFHGDFUGRMR-ZETCQYMHSA-N 274.298 -1.193 30 10 CAEE C#CC(CO)(CO)N[C@]1(C(=O)O)CCN[C@H](C)C1 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255.270 -1.075 30 10 CAEE C#CCNC(=O)CN[C@@]1(C(=O)O)[C@@H]2CNC[C@H]1C2 2324850678 YRQJGVIIBDYDHX-BZBKMWRSSA-N 251.286 -1.612 30 10 CAEE NC(=NO)c1ccnnc1N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2336559543 VWBZQJSSTJREKT-SVRRBLITSA-N 283.313 -1.196 30 10 CAEE N#C[C@@H]1CCCN(S(=O)(=O)N2CC([C@H](O)CO)C2)C1 2336881332 DIYBJYINECUCQS-GXSJLCMTSA-N 289.357 -1.248 30 10 CAEE CC#CCN(CC(=O)O)C(=O)N1CC(S(N)(=O)=O)C1 2337832198 GWYOBDSBYXGSBW-UHFFFAOYSA-N 289.313 -1.511 30 10 CAEE C[C@H](C#CC(=O)O)NC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2341181172 HZYNBZCCRFEACL-VEVYYDQMSA-N 274.248 -1.452 30 10 CAEE C[C@H](N)C#CC(=O)N1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@@H]2C1 2341221768 AQGSMLPQCYPOIP-SDAUYSKSSA-N 264.325 -1.217 30 10 CAEE N#CC1CN(S(=O)(=O)N[C@@H]2C[C@H]3NCCO[C@@H]3C2)C1 2342940082 PZIQCJBSLLDJSF-GMTAPVOTSA-N 286.357 -1.204 30 10 CAEE N#Cc1cccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1 61808929 UCEZSCRLYVXHSJ-UHFFFAOYSA-N 296.308 -1.480 30 10 CAEE N#CCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 88475014 OJZRCBGGQBEURL-UHFFFAOYSA-N 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30 10 CAEE C=C[C@H](NC(=O)NC1[C@H]2CS(=O)(=O)C[C@H]12)C(=O)O 2063029920 JBKSUOTWWNILCM-ACZMJKKPSA-N 274.298 -1.032 30 10 CAEE COCCN=C(NN)N1CCN2CCOC[C@H]2C1 2065964603 IGFVRMSVFPXTCU-SNVBAGLBSA-N 257.338 -1.532 30 10 CAEE N#Cc1c(N)nc[nH]c1=NCC1(S(N)(=O)=O)CCC1 2099542636 IMWOZKIELLNRMH-UHFFFAOYSA-N 282.329 -1.025 30 10 CAEE C#CCC[C@H](NC(=O)N[C@@H]1CN(C)C[C@@H]1O)C(=O)O 2102897554 FIXZTDRIAXMULT-AEJSXWLSSA-N 269.301 -1.173 30 10 CAEE C#CC1(O)CCN(S(=O)(=O)N2CCNC[C@H]2C)CC1 2105920453 HMSGPCCQJCXEIF-LLVKDONJSA-N 287.385 -1.015 30 10 CAEE O=C(CN1CCCC1=O)N=c1nc(C#CCO)[nH]s1 2110079244 SFTDKTARTYMVBO-UHFFFAOYSA-N 280.309 -1.135 30 10 CAEE COCCN=C(NN)NCc1nnnn1CCOC 2113105218 NVMWQGDAOHWREX-UHFFFAOYSA-N 272.313 -2.125 30 10 CAEE C=CCNC(=O)CN1CCN(C(=O)[C@H](O)CN)CC1 2120321934 CIMIDYPHZQRYKF-SNVBAGLBSA-N 270.333 -2.248 30 10 CAEE Cc1cnc(N2C[C@@H](O)C[C@H]2CO)c(C(N)=NO)n1 2125512684 KXDKIUUTZSPLJX-YUMQZZPRSA-N 267.289 -1.189 30 10 CAEE N#Cc1cc(N2CC([C@@H]3NC(=O)NC3=O)C2)ncn1 2128510871 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C#CCNC(=O)CNS(=O)(=O)c1sc(=N)[nH]c1C 2068336758 IJBHHECLWLRQRB-UHFFFAOYSA-N 288.354 -1.108 30 10 CAEE C#CCNC(=O)CNC(=O)[C@@H]1COC(C)(C)CN1 2068349840 ZKCWSBCKEOKRBA-VIFPVBQESA-N 253.302 -1.381 30 10 CAEE C#CCOCCOCCNC(=O)[C@]1(O)CCNC1 2069492699 UDUOGBXSMUPYSL-LBPRGKRZSA-N 256.302 -1.507 30 10 CAEE C#CCOCCOCCNC(=O)CNC(=O)CN 2069494187 HRCUVGGDVSBUST-UHFFFAOYSA-N 257.290 -2.156 30 10 CAEE CC#CC[C@@H](N)C(=O)NCc1cn(CC(=O)O)nn1 2089287841 BMOSWDKLQQCIKT-SECBINFHSA-N 265.273 -1.280 30 10 CAEE C#CCOC1CN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)C1 2090756445 ZDICFDCCAPIZRI-WPRPVWTQSA-N 268.269 -1.040 30 10 CAEE CC#CC[C@@H](N)C(=O)NCCC[C@@H]1NC(=O)NC1=O 2093919672 OLOXNFBZTFOYRA-BDAKNGLRSA-N 266.301 -1.169 30 10 CAEE C#CCN(CCO)C(=O)N[C@H](CC(=O)OC)C(=O)O 2097990233 XVRMAUHMPITZMA-MRVPVSSYSA-N 272.257 -1.360 30 10 CAEE Cc1c(C#N)c(O)nc(=O)n1CCCNS(N)(=O)=O 2101334326 KQCDAVJVTGUAMJ-UHFFFAOYSA-N 287.301 -1.688 30 10 CAEE C#CCC[C@H](N)C(=O)NC1CCN(CC(N)=O)CC1 2102848946 LHJZDJNDHYOALN-NSHDSACASA-N 266.345 -1.207 30 10 CAEE N#C[C@@H]1CCCN(S(=O)(=O)NC(C(N)=O)C(N)=O)C1 2108282005 DFQTVURBSXBQDS-LURJTMIESA-N 289.317 -2.604 30 10 CAEE C[C@@]1(NC(=O)NCC#CC(=O)O)CCC(=O)NC1=O 2116207916 YBMGADFTGCUAOQ-LLVKDONJSA-N 267.241 -1.431 30 10 CAEE C#CC(C)(C)CNC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2136104041 VDSSEFXOVPTNHI-XHNCKOQMSA-N 270.285 -1.154 30 10 CAEE COC[C@H](C)N=C(NN)N1CCn2c(CO)nnc2C1 2171796197 IVLHLCKSQIVRMJ-QMMMGPOBSA-N 283.336 -1.560 30 10 CAEE NC(=NO)c1nccnc1N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2 2173356429 DIDYFTRKFFHQNQ-ODXREFDESA-N 279.300 -1.109 30 10 CAEE C#CCC[C@@H](N)C(=O)N1CCCN(C[C@H](O)CO)CC1 2178035491 QYCVNGJDHPFMLP-QWHCGFSZSA-N 283.372 -1.385 30 10 CAEE CC#CC[C@H](N)C(=O)N1CCCN(C[C@@H](O)CO)CC1 2178036456 AHYNRBQRAZJFDN-OLZOCXBDSA-N 283.372 -1.385 30 10 CAEE COC[C@H](C)N=C(NN)N1CC(=O)N2CCOC[C@H]2C1 2185869628 QCWHWZKKKFZHKV-VHSXEESVSA-N 285.348 -1.616 30 10 CAEE C=C[C@@]1(CO)COCCN1C(=O)C(F)(F)C1(O)CNC1 2199878723 FEKASHIZYFDHQW-SNVBAGLBSA-N 292.282 -1.268 30 10 CAEE C#CCN1CC[C@@H](NC(=O)[C@@H]2Cn3cnnc3CN2)C1 2204225721 RFJSGPOLCSGFKV-MNOVXSKESA-N 274.328 -1.426 30 10 CAEE C#C[C@]1(C)COCCN1C(=O)CNS(C)(=O)=O 2215644972 WHWXJBFGKHEINB-SNVBAGLBSA-N 260.315 -1.214 30 10 CAEE CC(=O)N[C@H](CS)C(=O)NC1(C(N)=O)CCC1 2217303521 DVWPAEVDCHBLBY-SSDOTTSWSA-N 259.331 -1.055 30 10 CAEE C#C[C@@]1(C)COCCN1C(=O)[C@@H](F)C1(O)CNC1 2221486170 SDKCNZQZGWAGOC-KOLCDFICSA-N 256.277 -1.091 30 10 CAEE C#CCC[C@H](N)C(=O)N1C[C@H](OC)[C@H](OC)[C@@H]1CO 2225085016 VHPBNCWQOYKVQN-FIQHERPVSA-N 270.329 -1.040 30 10 CAEE C=CCN1CCN(C(=O)[C@@H](N)C(=O)OCC)CC1=O 2228620783 JDTYTDARGISUPK-SNVBAGLBSA-N 269.301 -1.266 30 10 CAEE C#CC[C@@H](NC(=O)C1CN(C2CNC2)C1)C(=O)O 2256817176 JVIXHOCQWVZLNW-SNVBAGLBSA-N 251.286 -1.517 30 10 CAEE C#CCN1CC[C@H](NS(=O)(=O)C[C@@H](N)C(=O)O)C1 2258160427 OJKLFOGWROSWIK-DTWKUNHWSA-N 275.330 -1.975 30 10 CAEE CCc1nc(C#N)cc(=NCC(N)(CO)CO)[nH]1 2258273260 RDEGTZMFDFYEDZ-UHFFFAOYSA-N 251.290 -1.573 30 10 CAEE C#CC(CO)(CO)NC(=O)[C@@H](N)[C@@H]1C[C@@H]2C[C@@H]2C1 2261444670 TXPIRWWRNPBVJO-ZDCRXTMVSA-N 252.314 -1.167 30 10 CAEE CN(C)C(=O)N1CCC(NC(=O)C(=O)NCC#N)CC1 2288712010 FWNLNKZNTXMFAB-UHFFFAOYSA-N 281.316 -1.112 30 10 CAEE C[C@@H]1[C@@](NCC#CCO)(C(=O)O)CCS1(=O)=O 2305426380 DDEUDKWBLGYTOJ-PSASIEDQSA-N 261.299 -1.398 30 10 CAEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CNC[C@H]2O)C1 2309015123 CQGQEFLGACHXKU-OPRDCNLKSA-N 274.346 -1.611 30 10 CAEE C#CCNC(=O)[C@H](C)N1C[C@H]2C[C@H](O)[C@H](O)[C@@H]1C2 2309621872 HBPYXXKIKNFVNU-KZZRWZIVSA-N 252.314 -1.060 30 10 CAEE C[C@H](C#N)OCCN1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2310474737 YAUUMHAHLCIOLS-ZYUZMQFOSA-N 258.274 -1.204 30 10 CAEE N#CC1CN(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CF)C1 2311996615 BNUDLMNQZSOFGX-YIZRAAEISA-N 279.293 -1.938 30 10 CAEE N#CC1(F)CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 2317334835 YGMALHPKCLVLCA-MRVPVSSYSA-N 275.305 -1.163 30 10 CAEE Cc1[nH]nc(CO)c1S(=O)(=O)NCCC#CCO 2320565678 IVQBIEXUIPLGGT-UHFFFAOYSA-N 273.314 -1.125 30 10 CAEE C#CCONC(=O)N1CC(C(=O)O)(S(C)(=O)=O)C1 2326755798 NTGBITIQJCEXCS-UHFFFAOYSA-N 276.270 -1.556 30 10 CAEE C[C@H](C#CC(=O)O)NC(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21 2341186465 QFJARDKPMQGXGG-IMSYWVGJSA-N 268.269 -1.136 30 10 CAEE C#CC(CO)(CO)N[C@]1(C(=O)O)C[C@@H](C)NC[C@H]1C 2349845479 PKAVPBWORNHNRL-GIPNMCIBSA-N 270.329 -1.226 30 10 CAEE N#CCNC(=O)COC(=O)Cn1cc(N)ccc1=O 61092443 DTPZRUUQNVKVHQ-UHFFFAOYSA-N 264.241 -1.387 30 10 CAEE NS(=O)(=O)CCNC(=O)c1ccncc1C#CCO 91458042 VSEIWTAVKLNGMX-UHFFFAOYSA-N 283.309 -1.556 30 10 CAEE COC(=O)[C@@H]1CN(C(=O)C(=O)NCC#N)C[C@H]1C 95017812 GUWDWBOTZJQTND-HTQZYQBOSA-N 253.258 -1.106 30 10 CAEE C#CCN(C(=O)c1nnn[nH]1)[C@H]1CCS(=O)(=O)C1 95040420 UZCVDQKBXCZGRN-ZETCQYMHSA-N 269.286 -1.538 30 10 CAEE C[C@@H]1C(=O)NC(=O)CN1C(=O)C1(/C(N)=N\O)CC1 157526138 LGLQUEBLAYLHRY-RXMQYKEDSA-N 254.246 -1.614 30 10 CAEE C=CC[C@H](N)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 162388724 QOVHBRPCMZLFNM-UWVGGRQHSA-N 276.358 -1.102 30 10 CAEE CC[C@@H](C#N)S(=O)(=O)N1CC(=O)NC[C@@H]1C(=O)O 230883276 ALLKYKBPMFMDAL-NKWVEPMBSA-N 275.286 -1.497 30 10 CAEE C#CC[C@H](NC(=O)NCc1cc(=O)n(C)[nH]1)C(=O)O 391386915 VHNJXNIAWJCZFU-QMMMGPOBSA-N 266.257 -1.011 30 10 CAEE C=CCNC(=O)CNC(=O)N[C@@H](COC)C(=O)O 393787705 QOZZZWPDGRCGBW-ZETCQYMHSA-N 259.262 -1.313 30 10 CAEE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(C#N)nn1 596433582 ICWHRJZWRZQNSP-DTWKUNHWSA-N 268.298 -0.428 30 10 CAEE N#C[C@H](Cc1ccccc1)C(=O)NC(C(N)=O)C(N)=O 695288846 CKFYZRFKKMBQJS-VIFPVBQESA-N 274.280 -1.176 30 10 CAEE CO[C@H]1CS(=O)(=O)C[C@H]1NCC(=O)NCC#N 697277367 IBVCFZWMOOSBHB-SFYZADRCSA-N 261.303 -1.972 30 10 CAEE N#CCNC(=O)C(=O)NCCCCc1nn[nH]n1 708475353 OMYFOHATMSPPRR-UHFFFAOYSA-N 251.250 -1.722 30 10 CAEE Cc1cc(C(=O)NC(C(N)=O)C(N)=O)sc1C#CCO 710081367 WCFRQHSARQQFIR-UHFFFAOYSA-N 295.320 -1.531 30 10 CAEE CCCS(=O)(=O)N[C@H](C)C(=O)NCC#CCO 717494071 XWUVRDOBBVTREJ-SECBINFHSA-N 262.331 -1.184 30 10 CAEE CN1C[C@@H](NC(=O)NCC#CC(=O)O)CCC1=O 717525644 QGRYJMZLFAOTGO-QMMMGPOBSA-N 253.258 -1.006 30 10 CAEE C#CC[C@H](N)C(=O)N(CC(=O)NC)CC(=O)NC 720584937 BQXPAUMQSKQPPN-QMMMGPOBSA-N 254.290 -2.342 30 10 CAEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C)S1(=O)=O 830170980 PYXVXJQGONTPOZ-IUCAKERBSA-N 288.325 -1.299 30 10 CAEE C#C[C@@H](CO)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 854766617 CIELBEUTAJAHFP-VIFPVBQESA-N 295.320 -1.406 30 10 CAEE C#CC[C@@H](COC)NC(=O)C(=O)N(C)CCOCCO 875602587 IDBUYTGGTBVVBC-NSHDSACASA-N 286.328 -1.392 30 10 CAEE N#CCNC(=O)CNC(=O)NCC(=O)NCc1ccco1 1117470276 QLSGPWGXYMZWSH-UHFFFAOYSA-N 293.283 -1.165 30 10 CAEE CC(C)(C(=O)N[C@@H]1CCN(O)C1=O)S(C)(=O)=O 1117774593 BIEAEXRCNVJZEU-ZCFIWIBFSA-N 264.303 -1.084 30 10 CAEE C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118250466 QGMZAKNCTBOJSH-SMDDNHRTSA-N 291.307 -1.276 30 10 CAEE N#C[C@]1(C(=O)NCCN2C(=O)CNC2=O)CCCOC1 1265067217 LMNJSISTFVYILW-GFCCVEGCSA-N 280.284 -1.025 30 10 CAEE Cn1nnc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)n1 1266705232 AYONKGLRBDJABA-OCAPTIKFSA-N 292.303 -2.300 30 10 CAEE COCC#CCNC[C@H](O)CNC(=O)[C@H](C)C#N 1268296998 HWONKRCNQSVFRJ-MNOVXSKESA-N 253.302 -1.137 30 10 CAEE C#CCCNC[C@@H](O)CNC(=O)CN1C(=O)CNC1=O 1268333421 STEVOMSJNDODDK-SECBINFHSA-N 282.300 -2.372 30 10 CAEE C[C@@H](C#N)C(=O)N[C@H](C)CNCC(=O)NCC#N 1268639902 OVXPMDQHCWSZDS-DTWKUNHWSA-N 251.290 -1.120 30 10 CAEE C=CCNC(=O)CN1CCOC[C@@H]1CNC(=O)CC(N)=O 1272842637 JEIWWHQYSSYZGE-JTQLQIEISA-N 298.343 -2.019 30 10 CAEE CC(C)[C@@H](O)C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1276841231 BNOQBWKSJUORQA-CMPLNLGQSA-N 282.344 -1.166 30 10 CAEE NC(=O)NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1 1278863562 NBJUSVGJPAKJCR-UHFFFAOYSA-N 294.311 -2.242 30 10 CAEE C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(CC(N)=O)C2 1280949283 ZPWRTLHVGKUVFM-QWRGUYRKSA-N 295.339 -1.531 30 10 CAEE C[C@@H](C#N)C(=O)NCCCNC(=O)Cn1ncnn1 1293344708 MQXSHSHDMBGQBF-QMMMGPOBSA-N 265.277 -1.545 30 10 CAEE CCC[C@@H](O)[C@H](CO)NC(=O)NCC(=O)NCC#N 1312660091 GQEPMEOSXYTMLN-DTWKUNHWSA-N 272.305 -1.553 30 10 CAEE CN(CC#N)CCNC(=O)[C@H]1CCS(=O)(=O)C1 1317451460 XGNDMRWDSPZKPG-VIFPVBQESA-N 259.331 -1.007 30 10 CAEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCNC1 1335284129 YKIFHHQZVMPMDQ-ZJUUUORDSA-N 251.286 -1.675 30 10 CAEE C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)c1ncccn1 1384021309 WIGDJBFSBGHKAF-RKDXNWHRSA-N 277.284 -1.157 30 10 CAEE C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 1389019345 MDAIWOMURYYGTH-DTWKUNHWSA-N 281.316 -1.256 30 10 CAEE C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 1403853935 BEHVMIPYDFHNJK-MRVPVSSYSA-N 288.739 -1.015 30 10 CAEE N#C[C@H](CO)NC(=O)CC1(n2cnnn2)CCOCC1 1468043854 SJUSEUIZNGSFJH-SECBINFHSA-N 280.288 -1.430 30 10 CAEE CC#CCNC[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 1482757999 UPELTYZCXCQZFL-ZJUUUORDSA-N 268.317 -1.900 30 10 CAEE C=CCCOCC(=O)N1CC(CCO)(NC(=O)C(N)=O)C1 1487045062 BGWUSQMHRSZDSE-UHFFFAOYSA-N 299.327 -1.856 30 10 CAEE C=C(C)CCC(=O)N[C@H](CO)CNC(=O)Cn1ncnn1 1488006232 ZPYIYCBEKPZRSQ-JTQLQIEISA-N 296.331 -1.377 30 10 CAEE C[C@H](CNC(=O)Cc1cnoc1)NCC(=O)NCC#N 1491556548 AAXHPGFMIOHCEI-SECBINFHSA-N 279.300 -1.049 30 10 CAEE C#CCNC(=O)CN[C@H](C)CCNC(=O)[C@H](C)NC(N)=O 1492012270 GWRJSVHZZLDIPC-ZJUUUORDSA-N 297.359 -1.723 30 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CAEE C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 1118028042 PBUKXBCLLPZWIG-MXWKQRLJSA-N 286.328 -1.088 30 10 CAEE C#CCNC(=O)CN(C)CCNC(=O)c1nc[nH]n1 1266340405 WXZPXBSAAUBHKC-UHFFFAOYSA-N 264.289 -1.784 30 10 CAEE CC#CCNC[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1268714024 ZYNAPGSMSPDSBM-JTQLQIEISA-N 275.374 -1.005 30 10 CAEE C=CCOCC(=O)NC[C@]1(O)CCN([C@@H]2CCNC2=O)C1 1271133288 XWOCVLIYXQCTSJ-BXUZGUMPSA-N 297.355 -1.370 30 10 CAEE C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC(N)=O 1274709410 NWMXYJCGJHUDGR-RKDXNWHRSA-N 270.333 -1.353 30 10 CAEE C#CCNC(=O)CN[C@@H](CO)CNC(=O)C1CC(C)C1 1278061337 KLUJZADMPIQFRB-HTAVTVPLSA-N 281.356 -1.151 30 10 CAEE Cn1nc(C(=O)NC[C@@]2(O)CCN(CC#N)C2)ccc1=O 1278820617 DAUOAGRUQAQUFL-ZDUSSCGKSA-N 291.311 -1.530 30 10 CAEE C#CCCN1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 1279510087 UNNWRMLENXNTII-SMDDNHRTSA-N 294.355 -1.366 30 10 CAEE C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)COC)C1 1281151704 HVBYAYXANXFZNZ-WDEREUQCSA-N 295.339 -1.122 30 10 CAEE C#CCCNC[C@H](O)CN(C)C(=O)CN1C(=O)CCC1=O 1284466209 ALTMGPIYLJDZJI-NSHDSACASA-N 295.339 -1.432 30 10 CAEE C[C@@H](C#N)C(=O)NCCNC(=O)CS(=O)(=O)N(C)C 1293043279 KBESJUIWEBVXCK-QMMMGPOBSA-N 290.345 -1.730 30 10 CAEE CC[C@@H](CNC(=O)C(N)=O)NC(=O)CSCC#N 1297479579 QPKJWKIDFCTCQD-ZETCQYMHSA-N 272.330 -1.261 30 10 CAEE Cn1cnn(CC(=O)NCCN(CC#N)C2CC2)c1=O 1317553018 DNYXPLTWSKAPPF-UHFFFAOYSA-N 278.316 -1.314 30 10 CAEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C)OC 1327747672 FGFMWXGKSZIFCR-ZJUUUORDSA-N 254.286 -1.002 30 10 CAEE C#CC[C@H](COC)NC(=O)C[C@@H]1NC(=O)NC1=O 1351692088 CTDODCQHVLIUOI-SFYZADRCSA-N 253.258 -1.261 30 10 CAEE C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1nc[nH]n1 1428255833 RKQLWJCOVLQDDN-BDAKNGLRSA-N 294.315 -1.558 30 10 CAEE C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 1480235936 WDUQLMVDVFDFJX-PHIMTYICSA-N 290.327 -1.736 30 10 CAEE C#CCNC(=O)CN[C@H](C)CNC(=O)C(C)(C)NC(C)=O 1480556551 WFOKRQDQCKNTOM-SNVBAGLBSA-N 296.371 -1.255 30 10 CAEE CO[C@H](C(=O)NCC1(O)CN(CC#N)C1)c1cnn(C)c1 1484285597 OGKGGTARHJZSIW-NSHDSACASA-N 293.327 -1.206 30 10 CAEE C#CCNC(=O)CC(=O)N[C@@H](CO)CNC(=O)[C@H](C)OC 1487953360 XJQAIOBZQRNFSB-VHSXEESVSA-N 299.327 -2.246 30 10 CAEE C=CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)C(N)=O)C1 1493229784 JMOFDPAZTBQPIP-VHSXEESVSA-N 282.344 -1.400 30 10 CAEE C#CCNC(=O)CC(=O)N[C@H](C)CNC(=O)COCC 1494574311 XJFYRYXOWPOBTM-SNVBAGLBSA-N 283.328 -1.217 30 10 CAEE CC#CCNC[C@H](O)CNC(=O)c1[nH]nnc1C 1497032661 LKPFHDRKBWUKIG-VIFPVBQESA-N 251.290 -1.183 30 10 CAEE N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1497039113 VSUDHFYZBJYMCW-SVDPJWKOSA-N 296.327 -2.415 30 10 CAEE C#CCNCCCN(C)C(=O)[C@H](C)NS(C)(=O)=O 1498618425 DBFMCROMIODGNT-JTQLQIEISA-N 275.374 -1.005 30 10 CAEE C#CCN1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 1499006842 FBZAKFUPQZXXLO-GFCCVEGCSA-N 278.356 -1.416 30 10 CAEE C#CCCN1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 1500758727 JDNZRCQWXBNLBA-ZDUSSCGKSA-N 282.344 -1.379 30 10 CAEE N#CCNC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1502069109 PQLZCLXJMABOBM-UWVGGRQHSA-N 266.301 -1.537 30 10 CAEE COCC#CCNCC1(NC(=O)C(N)=O)CCOCC1 1502634087 UZUYJDFXAQQPKY-UHFFFAOYSA-N 283.328 -1.624 30 10 CAEE COCC#CCN[C@H](CO)CNC(=O)Cn1cncc1C 1507218964 MPJLDCXAAQARHR-ZDUSSCGKSA-N 294.355 -1.092 30 10 CAEE C#CCO[C@@H](C)C(=O)NCCNC(=O)[C@H]1CCNC(=O)C1 1522584070 ZWGJLHVOLZDDNW-QWRGUYRKSA-N 295.339 -1.217 30 10 CAEE C#C[C@H](CO)NC(=O)Cn1ncn2nccc2c1=O 1556795810 IIVHXZSQSHCPMO-MRVPVSSYSA-N 261.241 -1.999 30 10 CAEE C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 1568557393 ICSBHYIRORGRHW-SECBINFHSA-N 296.331 -2.202 30 10 CAEE CCN(CCNCC(=O)NCC#N)C(=O)Cn1ncnn1 1568743733 PCLMPBFRNQEGCZ-UHFFFAOYSA-N 294.319 -2.249 30 10 CAEE CC(=O)NCC(=O)NCC(=O)N(C)C1CN(CC#N)C1 1569493685 IJTZQVDTJZRTCJ-UHFFFAOYSA-N 281.316 -2.095 30 10 CAEE CC(C)(C)n1nnc(C(=O)NCC2(O)CN(CC#N)C2)n1 1569774965 VJKWLIIFHHCWDJ-UHFFFAOYSA-N 293.331 -1.272 30 10 CAEE C#CCCNCCN(CCO)C(=O)[C@H]1CCNC(=O)C1 1569928855 CITRXYIRLIAVBA-LBPRGKRZSA-N 281.356 -1.054 30 10 CAEE C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NCCO)C1 1570283980 YDELNXMADHSZCM-JSGCOSHPSA-N 284.356 -1.040 30 10 CAEE C#CCOCCC(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 1573141474 YBTAYTJLBOOYRG-AOOOYVTPSA-N 281.312 -1.477 30 10 CAEE C=C(CO)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1629574179 MVWVIPBZAZQHCM-NXEZZACHSA-N 275.326 -1.051 30 10 CAEE N#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1662651552 ZRXBJUGDSSHUGO-SECBINFHSA-N 291.315 -1.504 30 10 CAEE C[C@@H](CC(=O)N[C@@]1(CO)CCCN(CC#N)C1)NC(N)=O 1672487431 TYNIIHTUKUMTMV-GWCFXTLKSA-N 297.359 -1.100 30 10 CAEE C[C@@]1(C(=O)NC2(CCO)CN(CC#N)C2)CCNC(=O)C1 1675085549 MFXRSYDSGMBGLX-CYBMUJFWSA-N 294.355 -1.021 30 10 CAEE C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCOC1 1676511110 NLHJIAXATUQXKX-NWDGAFQWSA-N 297.355 -1.771 30 10 CAEE COCC#CCN(C)CCNC(=O)Cn1cncn1 1690992697 VJZSVOUWFIBQNU-UHFFFAOYSA-N 265.317 -1.024 30 10 CAEE C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 1700479103 UFVNMTHOCKTWIW-VHSXEESVSA-N 295.343 -2.146 30 10 CAEE C=C[C@](C)(O)CC(=O)N1CC[C@H]1CNC(=O)CC(N)=O 1705194600 FZCQKIMYOHGYGL-ZANVPECISA-N 283.328 -1.094 30 10 CAEE C#CCNCCN(CC)C(=O)CN1CCN(C)C(=O)C1 1716225766 MPVCJPADFGWKOS-UHFFFAOYSA-N 280.372 -1.168 30 10 CAEE CC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NCC#N)C1 1717607486 QICHVJMJCBNZAI-GXSJLCMTSA-N 268.317 -1.148 30 10 CAEE N#CCN[C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 1717767687 FYRYMQAAEHMFLE-ZJUUUORDSA-N 268.317 -1.507 30 10 CAEE C#CCNCCN(CCO)C(=O)[C@@H](CC)NC(C)=O 1724679573 BCNWYOITRLNUIT-GFCCVEGCSA-N 269.345 -1.055 30 10 CAEE N#CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CCOC1 1725527869 MJNZBZMNGHZWIN-WDEREUQCSA-N 298.343 -1.881 30 10 CAEE C#CCNC1CC(N(C)C(=O)CS(=O)(=O)NC)C1 1734603209 ZBLYUBFIODZDFO-UHFFFAOYSA-N 273.358 -1.252 30 10 CAEE C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)NC)C1 1739636697 FQCLMGRQYYDCBL-ZJUUUORDSA-N 298.343 -1.431 30 10 CAEE N#Cc1ccnc(NC(=O)[C@]2(O)CCNC[C@@H]2O)c1 1890460464 MBQAROHYSJQDBX-CABZTGNLSA-N 262.269 -1.023 30 10 CAEE C#CCN(C(=O)CCON)[C@@H]1CCS(=O)(=O)C1 1950935105 FRULJIWPAWPMNS-SECBINFHSA-N 260.315 -1.084 30 10 CAEE CN(C[C@@H]1COCCN1)S(=O)(=O)N1CC(C#N)C1 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30 10 CAEE C#C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)C1 2136114635 KELKMKUBGVZAKP-LRPJSKTQSA-N 268.269 -1.402 30 10 CAEE NC(=NO)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cn1 2146335083 SRIDXFOMPAMULR-MNOVXSKESA-N 282.300 -1.266 30 10 CAEE Cc1cc(C(N)=NO)c(N2C[C@H](CO)[C@@H](CO)C2)nn1 2171264986 TWVQELIIIPGPGX-RKDXNWHRSA-N 281.316 -1.083 30 10 CAEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CNC[C@@H]2O)c(N)c1 2191620663 HKNRQPXMUWAMHP-KOLCDFICSA-N 296.352 -1.001 30 10 CAEE C#CCCN1CC[C@H](NC(=O)[C@@]2(O)CCNC[C@@H]2O)C1 2204219378 YWXDYANHFMZJFM-SGMGOOAPSA-N 281.356 -1.715 30 10 CAEE C#CCN1CC[C@H](NC(=O)NC2(C(=O)O)CC(O)C2)C1 2204220061 MNGZMUFGHQUDNF-JBLZRFIASA-N 281.312 -1.029 30 10 CAEE CC(C)(C#N)CS(=O)(=O)NC[C@@H]1NC[C@@H](O)[C@@H]1O 2218620724 XRQHCUHQDMWBKC-DJLDLDEBSA-N 277.346 -1.851 30 10 CAEE C=CCN1CCN([C@@H](C)C(=O)NC(N)=O)CC1=O 2221274891 AAYUNNRKDOUSRR-QMMMGPOBSA-N 254.290 -1.100 30 10 CAEE C=CC[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(C)=O 2227844328 TWWFMJQXJCIGBE-NXEZZACHSA-N 271.317 -1.190 30 10 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30 10 CAEE C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1489620809 ZERFIFBDUCPXKW-ZQARSLAVSA-N 278.272 -1.734 30 10 CAEE C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CN(C)CCO1 1492221067 PYWLZAGNXWDATR-GFCCVEGCSA-N 296.371 -1.886 30 10 CAEE C#CCNC(=O)CN1CC(NC(=O)c2cnc(C)n2C)C1 1494437383 MMMDFBBRRQXYBQ-UHFFFAOYSA-N 289.339 -1.108 30 10 CAEE C#CCNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1498814020 HAODLMZVFNAITB-ZJUUUORDSA-N 250.302 -1.215 30 10 CAEE C=CC(C)(C)C(=O)NCC1(O)CN(CC(=O)NC(N)=O)C1 1500900136 ZASOSNRJEQDDDB-UHFFFAOYSA-N 298.343 -1.444 30 10 CAEE C=CCOCC(=O)NC[C@H](CO)NC(=O)C(N)=O 1510871036 FVRAIWWBRAXDOS-SSDOTTSWSA-N 259.262 -2.732 30 10 CAEE C=C[C@](C)(O)CC(=O)N1CC(NS(N)(=O)=O)C1 1631131212 BAYCXYKTFAQNRQ-VIFPVBQESA-N 263.319 -1.683 30 10 CAEE C#CCC[C@H](O)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1639434360 FGNWESNGGWGMHP-UWVGGRQHSA-N 294.315 -1.932 30 10 CAEE C#CCNC(=O)CN1CCN(CCNC(=O)C(N)=O)CC1 1660939091 PUIAFXBPEJYXQB-UHFFFAOYSA-N 295.343 -3.045 30 10 CAEE 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CS(=O)(=O)C[C@@H](N)[C@H](O)C#CC1[C@@H]2COC[C@@H]12 2302697503 JMDQQGPVDRJMKX-UKKRHICBSA-N 259.327 -1.385 30 10 CAEE CCC#CC(=O)N1CCS(=O)(=O)CC12CNC2 2302832548 DHGYFRMVAXOERJ-UHFFFAOYSA-N 256.327 -1.001 30 10 CAEE N#C[C@H]1CN(S(=O)(=O)CCCO)[C@H]2CCN1C2 2303222846 UQDOTKYWOPRVCM-UWVGGRQHSA-N 259.331 -1.019 30 10 CAEE C[C@@](CS(C)(=O)=O)(NCC#CCCO)C(=O)O 2305163944 XKYCEUVLQCQQKX-JTQLQIEISA-N 263.315 -1.150 30 10 CAEE N#CCCC[C@H](N)C(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2311703992 YFBQRWAUMUFYQR-QEYWKRMJSA-N 257.290 -2.068 30 10 CAEE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ncncc1C#N 2312317148 GLSZCZDSLBPONY-LPEHRKFASA-N 250.258 -1.095 30 10 CAEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C[C@@]1(C=O)CCOC1 2312317269 ITOJYQUGWQKVBM-WRWGMCAJSA-N 259.302 -1.356 30 10 CAEE C#C[C@@H](C)N1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 2315349636 RQIGDBXSNXGNPW-ZJUUUORDSA-N 252.318 -1.645 30 10 CAEE C[C@H](C#CC(=O)O)NC(=O)N1C[C@H](O)[C@@H](CO)C1 2318651752 KWMCUIYHPDSCSN-HLTSFMKQSA-N 256.258 -1.543 30 10 CAEE 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30 10 CAEE N#Cc1cnc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(N)c1 2311712288 HNHUUAOOJRXUBU-BBBLOLIVSA-N 250.258 -1.562 30 10 CAEE C#CCN1CC[C@H](NC(=O)[C@H](N)CS(C)(=O)=O)C1 2313852836 LYEAZCOVXPOKNJ-VHSXEESVSA-N 273.358 -1.818 30 10 CAEE COCCn1cc(C#C[C@@]2(O)COC[C@H]2N)cn1 2318096575 JKIJKLFHWIRHCH-VXGBXAGGSA-N 251.286 -1.030 30 10 CAEE C[C@H](C#CC(=O)O)NC(=O)N1C[C@@H](O)C[C@H]1CO 2318657209 AIXFGBKDMQJJRR-VGMNWLOBSA-N 256.258 -1.400 30 10 CAEE C#CCO[C@H]1CCCN(C(=O)C(N)(CO)CO)C1 2320909411 AHQRMPHKECBMOY-JTQLQIEISA-N 256.302 -1.691 30 10 CAEE N#C[C@H]1CN([C@@]2(C(=O)O)CNCCOC2)CCO1 2322891765 VZOOZLIWPNEYDC-ONGXEEELSA-N 255.274 -1.346 30 10 CAEE C#CC[C@H](O)CN[C@]1(C(=O)O)[C@@H](N)COC1(C)C 2324911070 MKQVHNVLLSVZSD-AUTRQRHGSA-N 256.302 -1.080 30 10 CAEE C#CCCN(CC(=O)O)C(=O)N1CC[C@](O)(CO)C1 2336486645 XZCQBYXUAAOUGD-GFCCVEGCSA-N 270.285 -1.055 30 10 CAEE CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCS 3869683 ZNXZGRMVNNHPCA-SECBINFHSA-N 278.374 -1.082 30 10 CAEE endogenous,in-man N/C(=N/O)C1(C(=O)NC[C@H]2CCC(=O)N2)CCOCC1 79936880 YGQDWEXHRAAPAA-MRVPVSSYSA-N 284.316 -1.076 30 10 CAEE C=CCN(CCO)C(=O)C[C@@H]1CS(=O)(=O)CCN1 135856345 CIZIPCHQGRQUCW-SNVBAGLBSA-N 276.358 -1.230 30 10 CAEE CCOC(=O)NS(=O)(=O)N1CCNC[C@H]1C#N 163408827 TULMATDJBCZUSY-SSDOTTSWSA-N 262.291 -1.225 30 10 CAEE CO[C@@H]1O[C@H]2COB(c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1O 229890857 KVLJPVKALSPUQN-PJSNJIKXSA-N 280.085 -1.110 30 10 CAEE Cc1nc(C(N)=NO)cc(N2C[C@H](O)[C@@H](CO)C2)n1 317432374 LRGQGKARHALOCL-APPZFPTMSA-N 267.289 -1.331 30 10 CAEE CO[C@H]1CS(=O)(=O)C[C@@H]1N=c1nc[nH]cc1C#N 596434190 VHPBULCWJDIVSK-IUCAKERBSA-N 268.298 -1.006 30 10 CAEE N#CCCCC[C@H](N)C(=O)NCCS(N)(=O)=O 691631319 KUTARNABOLCTEG-QMMMGPOBSA-N 262.335 -1.198 30 10 CAEE N#CCCC[C@H](N)C(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693390637 LAHGKWHRPOMPBD-YIZRAAEISA-N 281.316 -1.947 30 10 CAEE CC(=O)N[C@H](CS)C(=O)N1C[C@@H](O)C[C@@]1(C)CO 699214889 CAGLNDDTDJUKHH-NGZCFLSTSA-N 276.358 -1.235 30 10 CAEE C#C[C@@H]1COCCN1C(=O)C1=NN2CCCN=C2N1 854916523 CVXJYUUALKJUBM-SECBINFHSA-N 261.285 -1.175 30 10 CAEE C#C[C@@H](CO)NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H](C#C)CO 868671895 GYFLYRNOWCUQIR-BKUVIOGVSA-N 278.308 -1.767 30 10 CAEE C#CC[C@H](COC)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 875602424 FJSQDNLJQTXBNA-QJPTWQEYSA-N 298.339 -1.251 30 10 CAEE CN(C)CC#CCNC(=O)CS(=O)(=O)N(C)C 913521076 KBBVCBZFSVJITA-UHFFFAOYSA-N 261.347 -1.441 30 10 CAEE C#CCCn1nnnc1N1CCO[C@H](CC(N)=O)C1 1120142203 FQNJQSQHKKWKQG-SECBINFHSA-N 264.289 -1.223 30 10 CAEE C#CC1(O)CN(C(=O)C2(CS(C)(=O)=O)COC2)C1 1124070664 OCVWTUGCDSMEHA-UHFFFAOYSA-N 273.310 -1.746 30 10 CAEE C#C[C@@H](C)NS(=O)(=O)c1cn(C)c(=O)nc1O 1189863500 LOAYMDMIFCYKJF-ZCFIWIBFSA-N 257.271 -1.214 30 10 CAEE O=C(NCC#CCO)N1CCS(=O)(=O)C[C@@H]1CCO 1254509149 KBNVHOIZLRKYMW-JTQLQIEISA-N 290.341 -1.827 30 10 CAEE N#CCNC(=O)CN1CC[C@H](NC(=O)Cn2cncn2)C1 1266358383 CJVSHZQCWDCHJC-JTQLQIEISA-N 291.315 -1.892 30 10 CAEE C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cncnc1 1266932852 KMCFNQIAAORVCN-JTQLQIEISA-N 275.312 -1.066 30 10 CAEE N#CCNC(=O)CN1CC[C@H](NC(=O)[C@]2(F)CCOC2)C1 1269057643 YVXVDLBUCIPGAY-GWCFXTLKSA-N 298.318 -1.055 30 10 CAEE COCC#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 1278370491 IPYUSPVSJJWQCI-NWDGAFQWSA-N 292.343 -1.098 30 10 CAEE C#CCOCCC(=O)NC1CN(C(=O)CNC(=O)NC)C1 1284904938 KIAQWDAVFSACLJ-UHFFFAOYSA-N 296.327 -1.718 30 10 CAEE C#CCNC(=O)CC(=O)N1C[C@H]2[C@H](NC(=O)COC)[C@H]2C1 1295310376 STSNZXVWUUPSCH-MSRIBSCDSA-N 293.323 -1.655 30 10 CAEE N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccnnc2)C1 1316988390 UQVXUJCFFBAVSO-NSHDSACASA-N 288.311 -1.080 30 10 CAEE CO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1318187533 NJASUPNGUXWGOT-VWYCJHECSA-N 280.328 -1.054 30 10 CAEE N#CCNC[C@H](O)CNC(=O)COCc1ccnc(O)c1 1320239781 ZRCJNHVAUTURPZ-NSHDSACASA-N 294.311 -1.106 30 10 CAEE C#CCO[C@@H](C)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC 1347424936 IMCKQBUYKXNWLS-UWVGGRQHSA-N 282.296 -1.133 30 10 CAEE C#CCNC(=O)CC(=O)N[C@H]1C[C@H](NC(C)=O)C1 1353536607 JNBMLZHVODMRHS-MGCOHNPYSA-N 251.286 -1.091 30 10 CAEE C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)c1cccnn1 1384022136 XMSQXVWNLNNHNN-BDAKNGLRSA-N 277.284 -1.157 30 10 CAEE COC(=O)[C@]1(O)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1413911681 LIVNZLAHXNUUEN-LBPRGKRZSA-N 294.267 -1.941 30 10 CAEE C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)CC1OCCCO1 1427954978 SJNASSIZFWYOLF-ZJUUUORDSA-N 299.327 -1.108 30 10 CAEE C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cn(C)nn1 1444632729 FOQXGPCWHYNEBL-BDAKNGLRSA-N 294.315 -1.476 30 10 CAEE C[C@@]1(NC(=O)NCC(=O)NCC#N)CCNC1=O 1478603184 XGOAGVPVGDNOKT-SNVBAGLBSA-N 253.262 -1.796 30 10 CAEE COCC#CCN[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1480451280 SJSGTQOGUFGAFL-ZJUUUORDSA-N 270.333 -1.213 30 10 CAEE COCC#CCNC[C@H](O)CNC(=O)CC(N)=O 1482716477 WLKSYPVKVWEOLJ-VIFPVBQESA-N 257.290 -2.422 30 10 CAEE C#CCCN[C@H](CO)CNC(=O)c1cncnc1O 1486006254 IKDNQXOWFCHOIW-VIFPVBQESA-N 264.285 -1.114 30 10 CAEE C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnn[nH]1 1497006596 SRVMZXJSIGTLPV-BDAKNGLRSA-N 296.331 -1.824 30 10 CAEE N#CCNC/C=C/CNC(=O)CC[C@H]1NC(=O)NC1=O 1497747953 RCRCJULYWLAKOA-GPYPMJJRSA-N 279.300 -1.240 30 10 CAEE C[C@H](CC(N)=O)C(=O)N1CCN(C2CN(CC#N)C2)CC1 1502843908 IWDKLZXDGZJBOJ-LLVKDONJSA-N 293.371 -1.150 30 10 CAEE C#CCN1CCC[C@H]1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1528992612 RUDBSEIZGUBIMD-NEPJUHHUSA-N 291.351 -1.207 30 10 CAEE CO[C@H](C)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1566783697 NYJLXRYXJWCNCK-OPRDCNLKSA-N 268.317 -1.102 30 10 CAEE C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1567862937 RMHRBFYWBSPHNV-GUBZILKMSA-N 286.357 -1.267 30 10 CAEE CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCNCC#N 1568650006 SFRRVNLIIXLBRX-VIFPVBQESA-N 283.332 -1.753 30 10 CAEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@]1(C#N)CC1(C)C 1569876841 VNMSQNDMEMUKMF-PELKAZGASA-N 291.315 -1.014 30 10 CAEE COC(=O)NCC(=O)N1CCO[C@@H](CNCC#N)C1 1570133512 LXQDNJZKLKZNSA-VIFPVBQESA-N 270.289 -1.317 30 10 CAEE C#CCN[C@@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O 1571431066 MULBWGIPBFDYAR-MNOVXSKESA-N 288.369 -1.346 30 10 CAEE C[C@@H](C(=O)NCC(=O)NCC#N)N1CCN(C)CC1 1623553393 FJTRRPPCLRNWKV-JTQLQIEISA-N 267.333 -1.622 30 10 CAEE C#C[C@H]1COCCN1C(=O)[C@H](C)NS(C)(=O)=O 1637715305 LZMDHVYQWMFCQW-IUCAKERBSA-N 260.315 -1.215 30 10 CAEE C#CCO[C@H](C)C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1641443412 BWKXHDHFHLZAEF-IWSPIJDZSA-N 267.285 -1.930 30 10 CAEE C#CCNC(=O)CN1CCN(C)C[C@@H](C(=O)OC)C1 1653918052 NVHAAHGQBYZAOZ-LLVKDONJSA-N 267.329 -1.228 30 10 CAEE C#CCN1CCC[C@](CO)(NC(=O)[C@H](C)NC(N)=O)C1 1672481007 AAXAYGGGJGATJS-GWCFXTLKSA-N 282.344 -1.381 30 10 CAEE C=CCNC[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O 1677142528 HOQGIEZWIOEGIJ-NXEZZACHSA-N 283.328 -1.366 30 10 CAEE CC#CCCCC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O 1680355313 VZXZLJCNPGHSNI-JTQLQIEISA-N 298.343 -1.558 30 10 CAEE C#CCO[C@@H](C)C(=O)NCC1(O)CN(CC(=O)NC)C1 1699914013 RCCSVRJUQIZDBU-JTQLQIEISA-N 283.328 -2.066 30 10 CAEE C#CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(N)=O)CC1 1705266382 KFNZLOGWTAAITF-SECBINFHSA-N 296.327 -1.542 30 10 CAEE C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O 1714991081 XZDHGLSGGTVMMP-GUBZILKMSA-N 278.312 -2.105 30 10 CAEE C=CCCNC[C@@H](O)CNC(=O)c1nccnc1C(N)=O 1715608697 AYAIVPDMDBVEIB-SECBINFHSA-N 293.327 -1.168 30 10 CAEE C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cnn[nH]1 1715740283 PQJNSRLMMAPCBS-SNVBAGLBSA-N 292.343 -1.006 30 10 CAEE N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1 1716080731 DUCITHUXHDPVRC-WDEREUQCSA-N 298.343 -1.881 30 10 CAEE C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCC(N)=O 1716398698 FVFHJFGDCVGENE-MNOVXSKESA-N 266.345 -1.336 30 10 CAEE C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C 1717924510 KTGNJAOAWXGYSJ-SRVKXCTJSA-N 281.356 -1.199 30 10 CAEE C[C@H](C#N)C(=O)N1CC[C@@](C)(CNC(=O)C(N)=O)C1 1722235697 RFFSKMAUPQWNCR-PELKAZGASA-N 266.301 -1.014 30 10 CAEE CN(CCNCC#N)C(=O)c1nnc(O)nc1O 1731929436 ZCSVDPDBTNOHIJ-UHFFFAOYSA-N 252.234 -1.532 30 10 CAEE C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2cnon2)C1 1733314396 GFPRUVPRGVKPDL-VIFPVBQESA-N 291.311 -1.036 30 10 CAEE CCOCC(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854575301 UZVQKRAXQFJYFK-UHFFFAOYSA-N 289.313 -1.453 30 10 CAEE C#CC[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1875830950 LHHAJQULFRRNBT-BDAKNGLRSA-N 265.269 -1.165 30 10 CAEE NCC#Cc1cnc(NS(=O)(=O)N2CC(O)C2)s1 1914173871 JGFMPLOIIVYVGH-UHFFFAOYSA-N 288.354 -1.214 30 10 CAEE C#C[C@H](CO)N1C(=O)[C@H]2CS(=O)(=O)C[C@H]2C1=O 1924774543 OYHIYNDURLGNSA-PRJMDXOYSA-N 257.267 -1.990 30 10 CAEE C#C[C@@H]1CCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1965832888 MORAHAMHSAORQG-MRVPVSSYSA-N 283.309 -1.520 30 10 CAEE C#CC1(O)CN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 1972063988 VLNOFTAHPFGHHA-BRPSZJMVSA-N 255.295 -1.517 30 10 CAEE CNC(=O)[C@@H](C)NS(=O)(=O)N1CC[C@H](C#N)C1 2000561813 LQMGNQRKYFDFCQ-HTQZYQBOSA-N 260.319 -1.199 30 10 CAEE N#C[C@@H]1CCN(S(=O)(=O)N2CCOC[C@@H]2N)C1 2000587889 CMRQXVKVZGEMTF-DTWKUNHWSA-N 260.319 -1.306 30 10 CAEE C[C@H](C#N)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2001578684 OVWBEMLIFYMGQN-SPFKKGSWSA-N 260.315 -1.098 30 10 CAEE C[C@@H](C#N)S(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2011395952 DNALEBXTHCSMMB-OEZYJKACSA-N 260.315 -1.098 30 10 CAEE C#CCNC(=O)CNCCN1CCCS1(=O)=O 2014939844 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10 CAEE C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)c1cnsn1 1451327714 OWQBKHOUQNMIHL-BQBZGAKWSA-N 283.313 -1.095 30 10 CAEE C#CCN[C@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1480236185 ZOVHFFGOBRVYKK-KXUCPTDWSA-N 278.312 -1.155 30 10 CAEE C#CCNC[C@@H](O)CNC(=O)C(=O)NCC1CC1 1482781753 KWVVWZSAOBGAGF-SNVBAGLBSA-N 253.302 -1.788 30 10 CAEE C#CCCN1CC(O)(CNC(=O)CS(=O)(=O)NC)C1 1484309828 PTPBMMGHAUYCBX-UHFFFAOYSA-N 289.357 -2.278 30 10 CAEE C#CCNC[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1486317334 NQYPIMOPXPWZQU-VHSXEESVSA-N 289.357 -2.280 30 10 CAEE CC(C)(O)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1490537937 QOOBQMXQTMXMBT-JTQLQIEISA-N 282.344 -1.022 30 10 CAEE CC#CCN1CC(NC(=O)CCn2ncn(C)c2=O)C1 1494424702 SPGRNMPUFXSRCD-UHFFFAOYSA-N 277.328 -1.204 30 10 CAEE CN(C[C@H](O)CNCC#N)C(=O)c1cnn(C)c1N 1507476573 ZUCHESMMLYMYGO-MRVPVSSYSA-N 266.305 -1.452 30 10 CAEE C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O 1507501697 BLFIHQJGZMWQDA-RKDXNWHRSA-N 286.332 -2.429 30 10 CAEE C#CCOCCC(=O)NC[C@@H]1CCN1C(=O)C(N)=O 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