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ABCE O=C1CCNCCC1=O 1542988624 AGRRYJGRTWJTME-UHFFFAOYSA-N 127.143 -0.492 10 10 ABCE CC(=O)C(=O)[C@@H](O)c1c(C)ncn1C 1887808340 ABKVEOVYZBRAJK-VIFPVBQESA-N 196.206 -0.080 10 10 ABCE [N-]=[N+]=NCCN1C(=O)COCC1=O 42416152 LHUPUKKHEUEUDF-UHFFFAOYSA-N 184.155 -0.318 10 10 ABCE [N-]=[N+]=NC[C@@H](O)CO[N+](=O)[O-] 687749044 GNRWVJPSCIHTMY-GSVOUGTGSA-N 162.105 -0.134 10 10 ABCE CC(=O)C(=O)[C@]1(O)[C@H](C)[C@@H]2OCC[C@H]21 1929246233 JZCFHXNMNLVWAX-RWDUTDNCSA-N 198.218 -0.070 10 10 ABCE Cn1ccnc1C1=C[C@@H](N)CNC1 675078817 UESUDPOBVPXGPB-MRVPVSSYSA-N 178.239 -0.266 10 10 ABCE CC(=O)C(=O)[C@H](O)[C@]1(C)CCNC1 1883838848 YBKLBGWQEPWEGD-DTWKUNHWSA-N 185.223 -0.495 10 10 ABCE CC(=O)C(=O)[C@@]1(O)CCO[C@@H]1C 1929153541 PFJQIQLXPCAWLD-HTRCEHHLSA-N 172.180 -0.316 10 10 ABCE OCC/N=N/CCO 196108942 TXNKXMZCBOYMLH-AATRIKPKSA-N 118.136 -0.577 10 10 ABCE [N-]=[N+]=NC[C@H]1OC(=O)C[C@H]1O 222787523 VNIRGKVMWPDTGT-QWWZWVQMSA-N 157.129 -0.027 10 10 ABCE CC(=O)N1CCN(/[N+]([O-])=N/O)CC1 307417016 LKIUBAWKTIIRAM-YFHOEESVSA-N 188.187 -0.583 10 10 ABCE [N-]=[N+]=NC1CN([C@@H]2CCNC2=O)C1 1912164963 ZMTNFCACHWRSOT-ZCFIWIBFSA-N 181.199 -0.131 10 10 ABCE CC(=O)C(=O)[C@@H](O)[C@H](CN)C(C)C 1929242506 ISDDBWQEJCFGDQ-APPZFPTMSA-N 187.239 -0.264 10 10 ABCE N=C(N)c1cc(O)nc(O)c1 1952067735 KBTUQFXERASVIG-UHFFFAOYSA-N 153.141 -0.223 10 10 ABCE [N-]=[N+]=NCCN1C[C@@H](O)C[C@@H](O)C1 1954535673 FEAAPPXXCFQYET-KNVOCYPGSA-N 186.215 -0.276 10 10 ABCE C[C@H](NC(=O)CN=[N+]=[N-])C(=O)O 238464609 JRGDZNFTRXVCRV-VKHMYHEASA-N 172.144 -0.114 10 10 ABCE [N-]=[N+]=NC[C@H]1O[C@](O)(CO)C[C@@H]1O 238691760 XPTFQAATIKHBPH-JKUQZMGJSA-N 189.171 -0.873 10 10 ABCE [N-]=[N+]=NCCN1CC[C@@](O)(CO)C1 314148043 IZPUNUOLQNHDLE-ZETCQYMHSA-N 186.215 -0.274 10 10 ABCE CC(=O)C(=O)[C@@](C)(O)[C@@]1(C)CCN1 1954729179 QKAMLLXBKSJLPP-RKDXNWHRSA-N 185.223 -0.353 10 10 ABCE C[C@H]1CC(=O)C(=O)[C@H]1O 105332212 AODHYZHPIVHXLA-UCORVYFPSA-N 128.127 -0.475 10 10 ABCE [N-]=[N+]=NCCn1cnnn1 238591637 GYJQFQISHNTMCL-UHFFFAOYSA-N 139.122 -0.017 10 10 ABCE N=NNCCN1CCN2N=C=C=C2C1 885594366 UFFVLZXXKVEAQW-UHFFFAOYSA-N 192.226 -0.223 10 10 ABCE CCN1CCC[C@@](O)(C(=O)C(C)=O)C1 1930194935 WZWAIUIAEKAIJT-JTQLQIEISA-N 199.250 -0.009 10 10 ABCE [N-]=[N+]=NCCN1CC2(CNC(=O)N2)C1 1884975475 JKTKZNXWGTYTNH-UHFFFAOYSA-N 196.214 -0.336 10 10 ABCE CC(=O)C(=O)[C@]1(O)CC[C@@H](C)NC1 1929213322 DWWZNLCDDMCELF-MUWHJKNJSA-N 185.223 -0.353 10 10 ABCE N=c1nnc(OCCOC2CC2)n[nH]1 2209556407 SBKRXMMRXCFHLI-UHFFFAOYSA-N 197.198 -0.763 10 10 ABCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@@H]1O 307263252 BANICBMTLUZCIA-UKFBFLRUSA-N 187.155 -0.858 10 10 ABCE CC(=O)C(=O)CCS(C)(=O)=O 1951498661 SLJLNXAIOHHCEP-UHFFFAOYSA-N 178.209 -0.421 10 10 ABCE [N-]=[N+]=NCCn1ccc(=O)[nH]c1=O 42416106 SFUMGJMTIVOCRT-UHFFFAOYSA-N 181.155 -0.153 10 10 ABCE COCCN[C@@H](CN=[N+]=[N-])C(=O)O 85622351 NVNFPQHRFOHVRN-YFKPBYRVSA-N 188.187 -0.014 10 10 ABCE CCC1=NN(C)C(=O)C1=C(N)N 306151728 GWAZVRRPROOAPY-UHFFFAOYSA-N 168.200 -0.647 10 10 ABCE [N-]=[N+]=NC[C@@H](O)[C@H]1C[C@@H](O)[C@@H](O)O1 238707566 LPVPPQRBQDNFBS-KAZBKCHUSA-N 189.171 -0.874 10 10 ABCE Nc1ccc(O)c([C@@H](N)[C@H](O)CO)c1 713719708 CYKXKKBALVKDJM-RKDXNWHRSA-N 198.222 -0.673 10 10 ABCE [N-]=[N+]=NC[C@@H]1CNC(=O)N1 721781696 OVRFWSMGLRQMCD-VKHMYHEASA-N 141.134 -0.022 10 10 ABCE [N-]=[N+]=N[C@H]1C(=O)N[C@@H]1C(=O)O 59211409 COWRUSAFQUWVJY-NCGGTJAESA-N 156.101 -0.752 10 10 ABCE C[C@H]1N[C@H](CN=[N+]=[N-])C(=O)NC1=O 306370094 NBQMRCUSCXIYDI-QWWZWVQMSA-N 183.171 -0.700 10 10 ABCE C[C@@H]1C[C@]1(F)COc1nnc(=N)[nH]n1 2209678234 VHELJAPDVDIIOR-FBCQKBJTSA-N 199.189 -0.194 10 10 ABCE CC(=O)C(=O)[C@@]1(O)CNC(C)(C)C1 1934250191 WBWGAJORIBCHCU-VIFPVBQESA-N 185.223 -0.353 10 10 ABCE COC[C@@H]1CC[C@@]1(O)C(=O)C(C)=O 1884272623 NEMWXTJQGICJIY-CBAPKCEASA-N 186.207 -0.068 10 10 ABCE CC(=O)C(=O)[C@@]1(O)CCN2CCC[C@H]21 1929178665 AVBZSNLRRNOGGB-WCBMZHEXSA-N 197.234 -0.256 10 10 ABCE CC(=O)C(=O)[C@@]1(O)CCN[C@@H]1C 1932885442 LKIKSMTYENOEEN-HTRCEHHLSA-N 171.196 -0.743 10 10 ABCE [N-]=[N+]=NCCN1C[C@H](N)[C@@H]2COC[C@@H]21 1957244948 UORGNSKBCJDPEA-FXQIFTODSA-N 197.242 -0.045 10 10 ABCE CC[C@H](CN)COc1nnc(=N)[nH]n1 2209560365 NFIUBCXRXLDLHO-RXMQYKEDSA-N 198.230 -0.957 10 10 ABCE O=C1CC[C@H](O)C1=O 139325927 VOXOULOBDLIKPA-VKHMYHEASA-N 114.100 -0.721 10 10 ABCE CNC(=O)c1cc(O)nc(O)c1 170223357 QYXZNKVSBKSFFQ-UHFFFAOYSA-N 168.152 -0.148 10 10 ABCE N[C@H](CO)c1cc(O)c(O)cc1O 72197506 YTIRTSQGPIOALK-RXMQYKEDSA-N 185.179 -0.205 10 10 ABCE N[C@H]1C(=O)N[C@H]1c1ccccc1O 74306516 GWIIGNNVEWXHAC-SFYZADRCSA-N 178.191 -0.110 10 10 ABCE C[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O 139385086 QQPFJEMREBAKAU-GNFDWLABSA-N 189.171 -0.876 10 10 ABCE CN1CCN(CCN=[N+]=[N-])[C@H](CO)C1 699469699 LRXKYNUOGGSDEV-QMMMGPOBSA-N 199.258 -0.095 10 10 ABCE [N-]=[N+]=NCCN1C[C@@H](O)C[C@H]1CN 1882782235 OLIZOASMCVEZBU-BQBZGAKWSA-N 185.231 -0.309 10 10 ABCE CC[C@@H](O)C(=O)C(=O)[C@H](C)O 167724124 OGWRZRITEAGNCV-CRCLSJGQSA-N 160.169 -0.724 10 10 ABCE C[C@]1(O)[C@H](N=[N+]=[N-])O[C@@H](CO)[C@H]1O 306448738 JNRGSDOCGDQWAM-SLPGGIOYSA-N 189.171 -0.874 10 10 ABCE CC[C@](C)(N)COc1nnc(=N)[nH]n1 2209555414 DIBBVIXBFIAOTA-ZETCQYMHSA-N 198.230 -0.815 10 10 ABCE COC(=O)[C@H]1NC(=O)[C@H]1N=[N+]=[N-] 139290317 JMPBSPVTWDAVQP-HRFVKAFMSA-N 170.128 -0.663 10 10 ABCE [N-]=[N+]=N[C@H]1CO[C@H](O)C[C@@H]1O 209172470 IYINIMBMQHWPTM-YUPRTTJUSA-N 159.145 -0.235 10 10 ABCE O=C1CCOCCC1=O 1615886599 ZFABAIQDZNKWLL-UHFFFAOYSA-N 128.127 -0.065 10 10 ABCE NC[C@H](O)COc1ccc(O)c(O)c1 223885713 LYBORMLXTRVDTI-LURJTMIESA-N 199.206 -0.204 10 10 ABCE CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 306353812 QIAJSRQWKGXXLE-BGPJRJDNSA-N 189.171 -0.610 10 10 ABCE CC(=O)C(=O)Cn1cnccc1=O 307103677 AVVGGACCFZNDEC-UHFFFAOYSA-N 180.163 -0.599 10 10 ABCE [N-]=[N+]=N[C@H]1[C@H]2OC[C@H](O2)[C@@H](O)[C@@H]1O 687810465 HUGTZKVAMGZNKH-BSQWINAVSA-N 187.155 -0.858 10 10 ABCE [N-]=[N+]=NC1CN(C[C@@H](O)CO)C1 1912208413 UBLFIKGQXKNUSE-ZCFIWIBFSA-N 172.188 -0.666 10 10 ABCE CC(=O)C(=O)[C@](C)(O)CCN(C)C 1929165158 JUWGEDDKFNGHJW-SECBINFHSA-N 187.239 -0.153 10 10 ABCE NC(=O)CNCc1ccc(O)c(O)c1 22147726 RVYWKILFKBXUEP-UHFFFAOYSA-N 196.206 -0.327 10 10 ABCE N[C@H](NCCO)c1ccccc1O 147721727 IZBDBYPQMZZAHE-SECBINFHSA-N 182.223 -0.069 10 10 ABCE CONC(=O)[C@@H](N=[N+]=[N-])[C@H](C)O 238354242 ROTWGCKXNPGYBL-IMJSIDKUSA-N 174.160 -0.276 10 10 ABCE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 306325767 RGJJSBXVJQERKP-ZXXMMSQZSA-N 173.172 -0.601 10 10 ABCE [N-]=[N+]=NCCN1C[C@@H](O)C[C@H]1CO 699270301 VXVISUOFXIJNHR-BQBZGAKWSA-N 186.215 -0.276 10 10 ABCE CC(C)(N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1956668562 NDZLRYWPQZTQHL-LJGSYFOKSA-N 198.266 -0.011 10 10 ABCE [N-]=[N+]=NC[C@H]1O[C@H](O)C[C@@H]1O 13526726 OQMSRVCFWASVKY-LMVFSUKVSA-N 159.145 -0.235 10 10 ABCE CC(=O)C(=O)[C@](C)(O)C(C)(C)N 1881410635 FTFXQDWGWQEWNY-QMMMGPOBSA-N 173.212 -0.367 10 10 ABCE CC(=O)C(=O)[C@]1(O)C[C@@H]2OCC[C@@H]21 1929226448 CPHMUYIEVGHUOK-ZKWXMUAHSA-N 184.191 -0.316 10 10 ABCE CC(=O)C(=O)[C@@H](C)n1cncn1 1951515630 BTLZNPAWWXNJHL-RXMQYKEDSA-N 167.168 -0.003 10 10 ABCE CC(=O)C=[S@](C)(=O)N(C)C 238303965 OSYOPOYNLSQNQQ-JTQLQIEISA-N 163.242 -0.232 10 10 ABCE [N-]=[N+]=N[C@@H](C(=O)O)[C@@H](O)CO 238710019 QKQUTTHHXLEUIK-STHAYSLISA-N 161.117 -0.897 10 10 ABCE CC(=O)C=[N+]=N 885218747 SKCIWFYSXOUTLK-UHFFFAOYSA-N 85.086 -0.115 10 10 ABCE CC(=O)C(=O)[C@H](O)[C@H]1CCCNC1 1883938382 JFCZECLXTPNTON-IONNQARKSA-N 185.223 -0.495 10 10 ABCE C[C@@H](N)[C@@H]1CCC(=O)C1=O 1932573916 RKYNKGZQSLVFEQ-UHNVWZDZSA-N 141.170 -0.118 10 10 ABCE [N-]=[N+]=NCCN1C[C@H](O)[C@H]2COC[C@@H]21 1955239786 MGLOUGXOFAANLI-FXQIFTODSA-N 198.226 -0.012 10 10 ABCE CCOC(=O)CC(=O)C=[N+]=[N-] 90471030 KKFLUSQGQIBRAN-UHFFFAOYSA-N 156.141 -0.191 10 10 ABCE Cn1c#[n+]c2c1[C@H](CNN=N)NCC2 885594294 KQCFJGPWSTXUMW-ZETCQYMHSA-N 193.234 -0.852 10 10 ABCE [N-]=[N+]=NC1CN(Cc2nc(=O)o[nH]2)C1 1957065517 NAUDVGZJJWLCSY-UHFFFAOYSA-N 196.170 -0.143 10 10 ABCE O=C1CC(=S)[C@@H](C(=O)O)N1 139254120 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