smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CCOc2c1cc(O)c(O)c2O 104475695 GPZJUSZXIBZEEI-UHFFFAOYSA-N 196.158 0.769 10 10 ACCE C[C@@H]1C(=O)N(CCN=[N+]=[N-])C(=O)[C@@H]1C 117871663 HUQRDIHBPYCCJZ-OLQVQODUSA-N 196.210 0.938 10 10 ACCE COC(=O)[C@]1(O)CCC[C@H]1N=[N+]=[N-] 238800852 FXTOLYQZESZUAY-VDTYLAMSSA-N 185.183 0.753 10 10 ACCE [N-]=[N+]=NCCC(C(=O)O)C(=O)O 307954147 YSOYYHVFXHQUHK-UHFFFAOYSA-N 173.128 0.472 10 10 ACCE NCC[C@@H](O)c1cccc(O)c1O 1535735849 XKXCMZZVJWZZRS-SSDOTTSWSA-N 183.207 0.480 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@H]2C[C@@H]1C2 1891314740 KNDJCZAUXDIYBV-PYHGXSLLSA-N 182.219 0.552 10 10 ACCE [N-]=[N+]=NC[C@@H]1NC[C@H](CF)O1 1912153580 HQUNGJJLDKGQEC-CRCLSJGQSA-N 160.152 0.581 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C1CC(C)C1 1954581708 VWFJZCLTJHQPOP-PCWHVXPSSA-N 184.235 0.942 10 10 ACCE [N-]=[N+]=NCCCCN1C[C@H]2[C@@H](N)[C@H]2C1 1957245688 ZYBQKHFVETVXFB-AYMMMOKOSA-N 195.270 0.966 10 10 ACCE C[C@@]1(O)C[C@H](O)[C@H](N=[N+]=[N-])CO1 38810270 PNCLRTVOUCWXDS-SRQIZXRXSA-N 173.172 0.155 10 10 ACCE Cc1cc([C@H](O)CN)cc(O)c1O 59700769 KBZLFQWWCSQJFS-MRVPVSSYSA-N 183.207 0.398 10 10 ACCE Cc1c(F)ccc([C@H](N)CO)c1O 72197538 YRHAHRSAVMZECN-MRVPVSSYSA-N 185.198 0.832 10 10 ACCE Cn1ccn(CCN=[N+]=[N-])c1=O 87666768 YOVZGHUSQZFMSS-UHFFFAOYSA-N 167.172 0.497 10 10 ACCE C[C@@](N)(C(=O)O)c1cc(N)ccc1O 104473205 VPPALLMGROWZOL-VIFPVBQESA-N 196.206 0.233 10 10 ACCE O=C1OCC/C1=C\O 104510440 GGRJUIXFWSHXPX-ONEGZZNKSA-N 114.100 0.375 10 10 ACCE COC(=O)C[C@H](N)CN=[N+]=[N-] 140278582 SKNPNEZXRVEYHE-BYPYZUCNSA-N 158.161 0.187 10 10 ACCE CSC[C@@H](O)[C@H](CO)N=[N+]=[N-] 202575383 KVVSYNAAFHKWRU-CRCLSJGQSA-N 177.229 0.382 10 10 ACCE CCNS(=O)(=O)CCCN=[N+]=[N-] 218185758 FCBUFOZVHRWCJI-UHFFFAOYSA-N 192.244 0.626 10 10 ACCE COC(=O)[C@@H](NO)[C@@H](C)N=[N+]=[N-] 238319751 VOTVTVMMYZRLFH-DMTCNVIQSA-N 174.160 0.206 10 10 ACCE C[C@@H](O)[C@H](N)c1c(O)ccc(O)c1O 238451869 ZHKZRKINVNDDAM-VHWMUFPASA-N 199.206 0.184 10 10 ACCE [N-]=[N+]=N[C@H](CO)c1nc[nH]n1 1535842340 JJBJXFOMSNAVCP-GSVOUGTGSA-N 154.133 0.148 10 10 ACCE Nc1ccc(OC[C@H]2C[C@H]2N)cc1 1877575887 XDOCCIAJKGNPRG-GMSGAONNSA-N 178.235 0.995 10 10 ACCE CC[C@H](OC)C(=O)N1CC(N=[N+]=[N-])C1 1912206142 FCNNPQPKRKIXCW-ZETCQYMHSA-N 198.226 0.933 10 10 ACCE NC(=S)Cc1cc(O)c(O)c(O)c1 1951474341 ZKHILMXQNYBXRC-UHFFFAOYSA-N 199.231 0.632 10 10 ACCE CC(=O)C(=O)[C@H]1CC[C@@H](C)O1 1953292068 LXZNHSKWGNSRNN-IYSWYEEDSA-N 156.181 0.712 10 10 ACCE [N-]=[N+]=NC[C@@H](NC1CCCC1)C(N)=O 85621963 AOPHFBNTQCQUSZ-SSDOTTSWSA-N 197.242 0.683 10 10 ACCE NNC(=S)Nc1ccc(N)cc1 116749314 NZKKOLLLOHENAF-UHFFFAOYSA-N 182.252 0.429 10 10 ACCE N=C(N)Cc1cc(O)c(O)c(O)c1 146822824 YDQSDCCDFAWFEG-UHFFFAOYSA-N 182.179 0.282 10 10 ACCE CN[C@@H](CO)c1cccc(OC)c1O 211757949 XDUOIPYQDBUVID-QMMMGPOBSA-N 197.234 0.654 10 10 ACCE CN(C)Cc1nnnn1CCN=[N+]=[N-] 238334178 YMAWSKHIAQTCDZ-UHFFFAOYSA-N 196.218 0.045 10 10 ACCE Cc1c(O)ccc([C@H](N)[C@@H](C)O)c1O 238421728 INNSAUPYFZELCH-HZGVNTEJSA-N 197.234 0.787 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H](O)[C@@H](N=[N+]=[N-])[C@H](O)C1 307102608 CJNKSVKNFZYBQJ-RJYLNQFNSA-N 198.186 0.860 10 10 ACCE COC(=O)[C@H]1CCC(=O)C(=O)C1 307166355 OVKRFIOQOSMMGE-YFKPBYRVSA-N 170.164 0.098 10 10 ACCE CC(=O)C(=O)COC(=O)C(C)(C)F 393715495 OGDMPTAQGXXFEM-UHFFFAOYSA-N 190.170 0.436 10 10 ACCE N[C@H]1COc2cc(O)c(O)c(O)c21 713785903 WDKBKGJBJQPLJN-VKHMYHEASA-N 183.163 0.196 10 10 ACCE NN[C@@H](c1ccccc1O)C1COC1 1884432639 AYNSOJLJRITRSB-SNVBAGLBSA-N 194.234 0.543 10 10 ACCE Cc1cccc(O)c1[C@H](N)C(N)=O 1954513682 WPRFIDPVYFJHNL-QMMMGPOBSA-N 180.207 0.186 10 10 ACCE COC(=O)[C@H]1CCCN1CCN=[N+]=[N-] 1957242641 PPYSVXHIILQJFL-SSDOTTSWSA-N 198.226 0.934 10 10 ACCE N[C@H]1CCc2c(ccc(O)c2O)[C@H]1O 27858273 RJQPTDPYKKHYSV-IONNQARKSA-N 195.218 0.405 10 10 ACCE Cn1c(=O)[nH]c2cc(O)c(O)cc21 95922649 UESSSVMYUMTVMI-UHFFFAOYSA-N 180.163 0.278 10 10 ACCE CN(C)C(=O)[C@H](N)c1ccccc1O 139973119 BCCSUVXBXTWGBP-SECBINFHSA-N 194.234 0.480 10 10 ACCE [N-]=[N+]=NC[C@H](O)CCO 196144027 MKOAQYUZUSTOFJ-SCSAIBSYSA-N 131.135 0.040 10 10 ACCE CC(C)[C@H](O)[C@@H](N=[N+]=[N-])C(=O)O 238216522 RGNQLRXQITUMIN-UHNVWZDZSA-N 173.172 0.767 10 10 ACCE COC(=O)[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1O 238337108 NETDMQYNXGKRCP-HSUXUTPPSA-N 185.183 0.609 10 10 ACCE [N-]=[N+]=NCCn1nncc1CO 238729671 RFNWTUIIOLJTSV-UHFFFAOYSA-N 168.160 0.081 10 10 ACCE C[C@@H](N)[C@H](N)c1ccc(O)c(O)c1 306931949 CEDOQINUEZAHFG-ANLVUFKYSA-N 182.223 0.445 10 10 ACCE CCN[C@@H]1CCN(C)[C@H]1CN=[N+]=[N-] 712214079 CNHPDAKJCXCEGO-SFYZADRCSA-N 183.259 0.979 10 10 ACCE CO[C@H](C)C(=O)CC(=O)C(C)=O 725256856 ALASZFPGYXWASO-ZCFIWIBFSA-N 172.180 0.139 10 10 ACCE ONCc1c(O)cc(O)cc1O 1535671363 UZNLTVSRTKHYTD-UHFFFAOYSA-N 171.152 0.282 10 10 ACCE CO[C@H](C=Cc1nccn1C)CN 1893642210 YYWPCHZMBNQKTR-MRVPVSSYSA-N 181.239 0.407 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(Cc2nc[nH]n2)C1 1912171417 KDEJIGMUJJASCP-ZCFIWIBFSA-N 193.214 0.689 10 10 ACCE CC(=O)C(=O)[C@](C)(O)CCCCN 1929220015 FSCXALIZDPICCB-SECBINFHSA-N 187.239 0.025 10 10 ACCE C[C@@]1(c2cc(O)nc(O)c2)CC(=O)N1 1952455343 BEGOPJCSRZXQCK-VIFPVBQESA-N 194.190 0.228 10 10 ACCE CN(CCN=[N+]=[N-])[C@]1(CN)CCOC1 1957243891 JCPPRNHMQQGTKD-QMMMGPOBSA-N 199.258 0.346 10 10 ACCE CC(=O)Cc1cc(O)c(O)cc1O 2519025 RBGNNQWRGQZGAG-UHFFFAOYSA-N 182.175 0.935 10 10 ACCE CNC(=O)c1cc(O)c(O)c(O)c1 13515342 LZCHRYJYWPHMPX-UHFFFAOYSA-N 183.163 0.163 10 10 ACCE NC[C@H](N)c1c(O)cccc1O 72200030 MYNFQXQKEZLNMZ-YFKPBYRVSA-N 168.196 0.056 10 10 ACCE Cn1cnc(Cc2ccc(N)cc2)n1 213351994 NDSNDOJUPXXOQT-UHFFFAOYSA-N 188.234 0.988 10 10 ACCE CC[C@H](N=[N+]=[N-])[C@@H]1OC(=O)[C@@H](C)[C@@H]1O 238274386 GXQYXGZVIJAXTI-AXMZGBSTSA-N 199.210 0.998 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H]2N=CC(=O)O[C@@H]2C1 238594765 JQUAEKQXUJAJAI-HSUXUTPPSA-N 180.167 0.824 10 10 ACCE COC(=O)/C=C/C(=C/O)C(=O)OC 379341910 APWYLNARIXVWLT-ICWBMWKASA-N 186.163 0.331 10 10 ACCE CO[C@@H](C)C(=O)CC(=O)C(C)=O 725256854 ALASZFPGYXWASO-LURJTMIESA-N 172.180 0.139 10 10 ACCE CC1(C(N)=O)CN(CCCN=[N+]=[N-])C1 1912175646 OFHHBFJRZOGNPO-UHFFFAOYSA-N 197.242 0.494 10 10 ACCE N[C@@H](c1cc(O)nc(O)c1)C(F)F 1952847502 IHPFFEOJHGVSMJ-LURJTMIESA-N 190.149 0.758 10 10 ACCE Nc1cc(O)c(O)cc1F 2055134398 GDIFYDHDJPXEDO-UHFFFAOYSA-N 143.117 0.819 10 10 ACCE C[C@H](COc1nnc(=N)[nH]n1)C1CC1 2209556836 YVEYHXITEVHSLP-RXMQYKEDSA-N 195.226 0.104 10 10 ACCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CCC(=O)O1 59024678 UYCJWZBRPMNOLK-WHFBIAKZSA-N 171.156 0.363 10 10 ACCE O=C1CCN[C@H]1c1ccccc1O 107165488 JWVYHHFLUPWMJE-JTQLQIEISA-N 177.203 0.996 10 10 ACCE C[C@@H](N)[C@@H]1CCCC(=O)C1=O 166486269 IDEYMJASVMDMLV-RITPCOANSA-N 155.197 0.272 10 10 ACCE CN1Cc2c(O)cccc2[C@@H](CN)C1 213488513 SYOLMZBURTXMSG-QMMMGPOBSA-N 192.262 0.880 10 10 ACCE CC(C)CC(=O)C(=O)CC(=O)O 218845724 MDMGOPNECIJDPY-UHFFFAOYSA-N 172.180 0.645 10 10 ACCE N[C@@H](CO)c1ccc(O)c(O)c1F 258196556 XZMYNSKBFDNJCJ-YFKPBYRVSA-N 187.170 0.229 10 10 ACCE COC(=O)[C@H](NO)c1ccccc1O 308365065 MNQJKTXXIRIBRU-MRVPVSSYSA-N 197.190 0.585 10 10 ACCE CN1CCC(=O)[C@H]1CN=[N+]=[N-] 606245286 ZSPSEJBWHMTEGU-RXMQYKEDSA-N 154.173 0.570 10 10 ACCE N[C@@H]1CCO[C@@H]1c1ccc(O)c(O)c1 1952307152 WHDFVGQQJKHQHI-GMSGAONNSA-N 195.218 0.887 10 10 ACCE Oc1cccc([C@]23CNC[C@H]2C3)c1O 1952590846 UFVFJDRLWJRNPW-RDDDGLTNSA-N 191.230 0.959 10 10 ACCE COC(=O)[C@@H](N)c1ccc(O)cc1O 31352127 HFLFOKWCOBDTCH-QMMMGPOBSA-N 197.190 0.271 10 10 ACCE Nc1ccc(N2C(=O)COC2=O)cc1 71485165 JQTAGWHNFKGUJV-UHFFFAOYSA-N 192.174 0.752 10 10 ACCE Nc1sc2c(c1O)CNCC2 84228059 RBYXOVRQQFONIJ-UHFFFAOYSA-N 170.237 0.682 10 10 ACCE N#CNCN=N 104626816 TUTJZRDAAGYEDK-UHFFFAOYSA-N 84.082 0.046 10 10 ACCE C[C@@H](O)[C@@H](N)c1c(O)cccc1CO 238414032 XAVKBHRVRHAJQP-LHLIQPBNSA-N 197.234 0.265 10 10 ACCE NCC(=O)c1c(F)ccc(O)c1O 257969010 CQBAMUAJDXKDOH-UHFFFAOYSA-N 185.154 0.378 10 10 ACCE CC[C@@H](N=[N+]=[N-])[C@H]1OC(=O)[C@H](C)[C@@H]1O 307022678 GXQYXGZVIJAXTI-MVIOUDGNSA-N 199.210 0.998 10 10 ACCE COC(=O)N=N/C(C)=C\C(N)=O 387604868 TYSZDPMOXHZRKO-WVYINRIPSA-N 171.156 0.594 10 10 ACCE [N-]=[N+]=NCCN1CC=C[C@@H]1CO 1880556130 SMDMSDSQSMEKPL-SSDOTTSWSA-N 168.200 0.529 10 10 ACCE C[C@@H](C(N)=O)N(C)CCCCN=[N+]=[N-] 1912166351 WFSAUFGBXWOHSV-ZETCQYMHSA-N 199.258 0.883 10 10 ACCE CC(=O)C(=O)[C@](C)(O)c1nccs1 1929147891 MDBARZGKHGWOOW-QMMMGPOBSA-N 199.231 0.509 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCCC(=O)C1 1929192526 HJQMBTLPKZEINF-VIFPVBQESA-N 184.191 0.019 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2OCC[C@H]2C1=O 1956912633 TXLRDRFOBSUHAI-RQJHMYQMSA-N 196.210 0.544 10 10 ACCE C[C@@H](CO)C(=O)NCCN=[N+]=[N-] 2241250261 CSWLBSUYMKHBRJ-YFKPBYRVSA-N 172.188 0.041 10 10 ACCE [N-]=[N+]=N[C@H]1CNCC1(F)F 2296599946 ZLJWOJNUNUEACF-VKHMYHEASA-N 148.116 0.904 10 10 ACCE NC[C@H](N)c1ccc(O)c(O)c1 22029606 YGHYOKFGHPJEHE-LURJTMIESA-N 168.196 0.056 10 10 ACCE ONCc1cc(F)c(O)c(F)c1O 214616409 BONYAUWJZRTMJF-UHFFFAOYSA-N 191.133 0.855 10 10 ACCE COC(=O)c1cc(O)c(O)cc1OC 238372405 IBNPUZYRTJYLDC-UHFFFAOYSA-N 198.174 0.893 10 10 ACCE NCCC(=O)c1ccc(F)c(O)c1O 258090009 JQZVAYFSAUQKSH-UHFFFAOYSA-N 199.181 0.768 10 10 ACCE C[S@@](=O)NCc1ccc(N)cc1 307321441 QNXYEJPJBPYVLA-GFCCVEGCSA-N 184.264 0.652 10 10 ACCE CC(=O)C(=O)CSC[C@H](C)CO 307946330 JOTUIDXDDOCJNR-ZCFIWIBFSA-N 190.264 0.506 10 10 ACCE COC(=O)O/C=C1\C=COC1=O 382572261 PRWRQSBTOBCSPM-SNAWJCMRSA-N 170.120 0.724 10 10 ACCE CCN1CC[C@H](NC)[C@H]1CN=[N+]=[N-] 712014645 CCLGQJIILFJTAL-JGVFFNPUSA-N 183.259 0.979 10 10 ACCE N[C@@H](c1cc(O)ccc1O)C1(O)CC1 1952423278 ZBSNLXRAOVKEHE-VIFPVBQESA-N 195.218 0.623 10 10 ACCE CC(=O)C(=O)[C@@H](O)C1(C)CC=CC1 1953812995 YEWVHRKOIFFONC-SECBINFHSA-N 182.219 0.862 10 10 ACCE C[C@H]1NC[C@H](O)c2cc(O)c(O)cc21 31502803 WJKTWCQUWWUWJC-FWOIEVBISA-N 195.218 0.795 10 10 ACCE COCCNCc1cc(N)ccc1O 34328128 ROCFRQAHVDDVJH-UHFFFAOYSA-N 196.250 0.710 10 10 ACCE C[C@@H]1C(=O)NCCN1CCN=[N+]=[N-] 82475698 XRCVSUKXUUTHRM-ZCFIWIBFSA-N 183.215 0.117 10 10 ACCE O=C1C(=O)[C@H]2CCCC[C@H]12 198976140 GZLDYIBNSZPGAR-WDSKDSINSA-N 138.166 0.945 10 10 ACCE Cn1ccnc1/C=C\CCN 211571759 GZIDIRHYVSHODO-RQOWECAXSA-N 151.213 0.782 10 10 ACCE NCc1ccc(F)c(O)c1O 211958616 YAZOKMYPXZVEMN-UHFFFAOYSA-N 157.144 0.696 10 10 ACCE C[C@]1(O)C=C[C@H](N=[N+]=[N-])OC1 238503264 LVNUSXQSAZVUPH-RITPCOANSA-N 155.157 0.960 10 10 ACCE O=C1N[C@@H]2c3[nH]cnc3C[C@H]2/C1=C/O 238609273 PPKJWGAOEIEZPO-MOBZRVRQSA-N 191.190 0.195 10 10 ACCE CC(=O)C(=O)Cn1cnc(C)c1C 306704382 HDSKZLDKVYVQTG-UHFFFAOYSA-N 180.207 0.658 10 10 ACCE [N-]=[N+]=N[C@H]1CCC[C@H](O)[C@H]1N 307003068 BWYBASCGIBNQGH-ZLUOBGJFSA-N 156.189 0.537 10 10 ACCE COc1cccc(O)c1CNCCO 379652073 GFOLUABINOROFN-UHFFFAOYSA-N 197.234 0.483 10 10 ACCE Cn1ccnc1/C=C1\CCNC1 690651237 ZWLVVHHKEXMPNY-SOFGYWHQSA-N 163.224 0.797 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2COC[C@H]21 1881020729 GYDAQIFGBCUTSL-NKWVEPMBSA-N 168.200 0.627 10 10 ACCE C[C@@H]1[C@H](O)CN1Cc1ccc(N)cc1 1885908994 UQTBZFNIQSULTE-LDYMZIIASA-N 192.262 0.834 10 10 ACCE C[C@@H]1[C@@H](O)CCN1CCN=[N+]=[N-] 1912145964 NMWNMRHHTLAPJZ-RQJHMYQMSA-N 170.216 0.752 10 10 ACCE [N-]=[N+]=NC1CN(CC2(CO)CC2)C1 1912200140 CLVFXGGGIWNZFL-UHFFFAOYSA-N 182.227 0.753 10 10 ACCE 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N[C@@H](CO)c1ccc2c(c1O)CCC2 258070156 MCHHHTMFIBOUCK-JTQLQIEISA-N 193.246 0.873 10 10 ACCE CC(=O)N[C@@H]1[C@H](O)CCC[C@H]1N=[N+]=[N-] 306752261 KXOHOYZISPUSEC-PRJMDXOYSA-N 198.226 0.715 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@H](O)C[C@H]2C1 1886540172 YIEYKSHICUALKB-BRPSZJMVSA-N 196.254 0.999 10 10 ACCE C[C@H](NOCCO)c1ccccc1O 1888293018 GZIMVUQUMFTUSB-QMMMGPOBSA-N 197.234 0.967 10 10 ACCE Nc1ccccc1N[C@@H]1[C@@H]2CNC[C@@H]21 1888932997 FAELBZFJMUWWDG-AKZRSSKFSA-N 189.262 0.899 10 10 ACCE CC(=O)C(=O)[C@@H](O)C1CC(F)(F)C1 1932307448 JGHDZUMJANROKX-ZETCQYMHSA-N 192.161 0.551 10 10 ACCE CO[C@@H](CN)Cc1ccc(O)c(O)c1 1951473476 ODINJYIPESNXMC-MRVPVSSYSA-N 197.234 0.614 10 10 ACCE [N-]=[N+]=NCCN1CCCNCC1 1953758777 QBKMEBARPHJLMC-UHFFFAOYSA-N 169.232 0.592 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(C)CC=CC1 1953812998 YEWVHRKOIFFONC-VIFPVBQESA-N 182.219 0.862 10 10 ACCE O=[N+]([O-])CCc1cc(O)c(O)cc1O 2519249 LJQGHZJRTCKQRA-UHFFFAOYSA-N 199.162 0.623 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H]2O[C@@H]2C[C@@H]1O 34408125 LCBHYQNSMRMDNC-OMMKOOBNSA-N 155.157 0.587 10 10 ACCE CCn1ccn(CCN=[N+]=[N-])c1=O 87666766 ISYGDVDOJRWQIW-UHFFFAOYSA-N 181.199 0.980 10 10 ACCE NC[C@@H](O)c1sccc1O 106071843 XTKFNRNRINLXHM-RXMQYKEDSA-N 159.210 0.446 10 10 ACCE COCCC(=O)CC(=O)C(C)=O 122639234 HUJIWRRTCDFASK-UHFFFAOYSA-N 172.180 0.140 10 10 ACCE [N-]=[N+]=NCCCCNC(N)=O 231733199 RXUFBCQIPOJYKH-UHFFFAOYSA-N 157.177 0.745 10 10 ACCE Cc1cc(O)cc(O)c1[C@@H](N)CO 238479086 XKTGDJZRBGYFQL-ZETCQYMHSA-N 183.207 0.398 10 10 ACCE O=C1N[C@@H]2c3ncoc3C[C@@H]2/C1=C/O 238610471 YBIDAFSNBWHNKZ-IEVQPXLTSA-N 192.174 0.460 10 10 ACCE CC(=O)C(=O)c1cnn(C)c1 306407316 YGBVCNLQTHTGCQ-UHFFFAOYSA-N 152.153 0.192 10 10 ACCE CO[C@@H]1CS(=O)(=O)C[C@H]1N=[N+]=[N-] 575569214 IRLYLYSYVHKJNI-RFZPGFLSSA-N 191.212 0.109 10 10 ACCE NCCOc1ccc(O)c(O)c1O 1535829156 APTYMEMLHBTDGL-UHFFFAOYSA-N 185.179 0.141 10 10 ACCE [N-]=[N+]=NC[C@@H](O)C1(N)CCC1 1912167868 QEAJCQMMLKVBOB-RXMQYKEDSA-N 156.189 0.539 10 10 ACCE CC[C@H](OC)C(=O)[C@@H]1CCC(=O)C1=O 1924095844 YGYCFZOLYFNYAZ-SVRRBLITSA-N 198.218 0.529 10 10 ACCE C[C@@](N)(CO)Cc1cccc(O)c1O 1952066853 WUVLBQKNWXIXRH-JTQLQIEISA-N 197.234 0.350 10 10 ACCE N[C@H]1CC(=O)N[C@H]1c1ccccc1O 76635383 WRTCHNPDLDJCEF-XVKPBYJWSA-N 192.218 0.281 10 10 ACCE [N-]=[N+]=N[C@H]1CC2(CC[C@H]1O)OCCO2 130767453 KFCLTIIKGNGKLE-NKWVEPMBSA-N 199.210 0.953 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H]2OC[C@H]1[C@@H]2CO 306482258 IMWBLGGSGHSQLP-VWDOSNQTSA-N 169.184 0.693 10 10 ACCE COCCN1CC[C@@H](N)[C@@H]1CN=[N+]=[N-] 711937250 VZDDAJRYCOSKAE-SFYZADRCSA-N 199.258 0.345 10 10 ACCE N[C@@H]1COCc2cc(O)c(O)c(O)c21 713769995 MURADPZWYZGCSR-RXMQYKEDSA-N 197.190 0.333 10 10 ACCE [N-]=[N+]=NC1CN(CC2[C@H]3COC[C@H]23)C1 1887802451 HQIRAKMWRMNBFG-RKDXNWHRSA-N 194.238 0.873 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(Cc2ncon2)C1 1912179514 SPRFKVIFVZUQCZ-ZCFIWIBFSA-N 194.198 0.954 10 10 ACCE [N-]=[N+]=NC1CN(Cc2ncc[nH]2)C1 1912181532 PCRZRLDDOKFQTH-UHFFFAOYSA-N 178.199 0.904 10 10 ACCE CC(=O)C(=O)[C@H](O)CCC1CC1 1929217881 PNSZZRMGXWORLM-MRVPVSSYSA-N 170.208 0.696 10 10 ACCE COC[C@](C)(N)c1cc(O)nc(O)c1 1952308669 NZMCWQORPGJTBF-VIFPVBQESA-N 198.222 0.313 10 10 ACCE C[C@H](O)C1(c2cc(O)nc(O)c2)CC1 1952363333 SFTWQDHKSFGQTC-LURJTMIESA-N 195.218 0.905 10 10 ACCE CO[C@H]1CN[C@@H](CN=[N+]=[N-])C1 1953209223 LRMKFIZNXBXJHP-PHDIDXHHSA-N 156.189 0.674 10 10 ACCE CN1CCCC(=CO)C1=O 2045288172 KQJACJVFSLUVRC-UHFFFAOYSA-N 141.170 0.681 10 10 ACCE CC(=O)C(=O)CCC[N+](=O)[O-] 34515282 ZJMNFNODDXYJFJ-UHFFFAOYSA-N 159.141 0.201 10 10 ACCE [N-]=[N+]=NCCN1CCCC[C@H]1C(N)=O 42406244 ZGQRHRYFRDOBDU-ZETCQYMHSA-N 197.242 0.637 10 10 ACCE Cc1cccc([C@H](N)CC(N)=O)c1O 44252786 ZXZLFYSLVZJYHT-MRVPVSSYSA-N 194.234 0.576 10 10 ACCE NCc1c(O)cccc1C(=O)O 95724249 IUSSNGNLJJHSOS-UHFFFAOYSA-N 167.164 0.549 10 10 ACCE [N-]=[N+]=NCO 165819229 ZWCFRCVNWBKULL-UHFFFAOYSA-N 73.055 0.247 10 10 ACCE COCO[C@@H]1C=CC[C@@H](N=[N+]=[N-])[C@@H]1O 207009530 JPZMHWBGWAOQQV-PRJMDXOYSA-N 199.210 0.975 10 10 ACCE C=C(N=[N+]=[N-])C(=O)N(C)C 220308339 IMLFMVKPLHFPOC-UHFFFAOYSA-N 140.146 0.899 10 10 ACCE C[C@@H](O)[C@@H](CO)N=[N+]=[N-] 238410238 ZSAAIHCECJJRIS-QWWZWVQMSA-N 131.135 0.038 10 10 ACCE [N-]=[N+]=NCCC(=O)NC[C@H]1CCCO1 238634158 RQURCUPOUPCHSC-SSDOTTSWSA-N 198.226 0.982 10 10 ACCE [N-]=[N+]=NC1=C[C@@H](CO)OC1=O 238656081 GDBHUJVEKPIKGI-VKHMYHEASA-N 155.113 0.098 10 10 ACCE [N-]=[N+]=NC1[C@@H](O)CCC[C@@H]1O 238687131 JKIVMEBDCIVIBT-WHFBIAKZSA-N 157.173 0.571 10 10 ACCE [N-]=[N+]=N[C@H](C(=O)O)[C@@H](O)c1c[nH]cn1 238716809 LIAWCVZXVHNIMS-WHFBIAKZSA-N 197.154 0.207 10 10 ACCE N[C@@H](CC(=O)O)c1sccc1O 306148506 CHIYZOUUUGCUIF-BYPYZUCNSA-N 187.220 0.928 10 10 ACCE COc1cc([C@@H]2C[C@H]2N)cc(O)c1O 1535814515 LCFWIFMOORDFSA-NKWVEPMBSA-N 195.218 0.921 10 10 ACCE C[C@@H](C(N)=O)N1CCC[C@H]1CN=[N+]=[N-] 1885284781 CCUOFQKEDMFDOJ-BQBZGAKWSA-N 197.242 0.635 10 10 ACCE COCC[S@](=O)CCN=[N+]=[N-] 42416682 GSNJOHKQDVOGQD-NSHDSACASA-N 177.229 0.692 10 10 ACCE N[C@@H](CO)c1c(O)ccc(F)c1F 107349419 DXKRLPHCMIXKAZ-YFKPBYRVSA-N 189.161 0.663 10 10 ACCE C[C@H]1[C@@H](O)O[C@H](CN=[N+]=[N-])[C@H]1O 143053473 JKTUGEFSJONIAN-ZXXMMSQZSA-N 173.172 0.011 10 10 ACCE C/N=N/CNC 147296642 OPDMCPOKKJJOLH-AATRIKPKSA-N 87.126 0.245 10 10 ACCE CSC[C@@H](O)[C@@H](CO)N=[N+]=[N-] 209986447 KVVSYNAAFHKWRU-RFZPGFLSSA-N 177.229 0.382 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@H]1C[C@@H](O)[C@@H](O)O1 238410233 QUBNAWGHFBWQOW-KAZBKCHUSA-N 173.172 0.153 10 10 ACCE O=C1N[C@@H]2c3n[nH]cc3C[C@@H]2/C1=C\O 379520870 FOUWENIXVIXAJS-LXLIZUKWSA-N 191.190 0.195 10 10 ACCE N=[S@@]1(O)=CCCC1 701676225 DRNJRYMCZYBGOK-SSDOTTSWSA-N 119.189 0.972 10 10 ACCE [N-]=[N+]=NCCN1CCC=C[C@@H]1CO 1882403850 QHEYEDCXGAAKPI-MRVPVSSYSA-N 182.227 0.920 10 10 ACCE C[C@@H](O)[C@@H](C)N1CC(N=[N+]=[N-])C1 1912202275 DYHCADYFBLILCV-PHDIDXHHSA-N 170.216 0.750 10 10 ACCE NC1([C@@H](O)c2ccc(O)c(O)c2)CC1 1952439189 QGBPNCPLHLEWGP-VIFPVBQESA-N 195.218 0.623 10 10 ACCE [N-]=[N+]=NCc1nc(=O)o[nH]1 1953174281 QHFJJKXAXZJIAA-UHFFFAOYSA-N 141.090 0.173 10 10 ACCE CN1C[C@H]2C[C@H]1CN(CCN=[N+]=[N-])C2 1955529499 WYOVKFOAQLGEBD-BDAKNGLRSA-N 195.270 0.933 10 10 ACCE C[C@H](C(N)=O)N(C)c1ccc(N)cc1 20422563 VNMWTRIGLUFPEP-SSDOTTSWSA-N 193.250 0.579 10 10 ACCE CCCN[C@@H](CN=[N+]=[N-])C(=O)O 85622051 HHFMGDUVDTWUCK-YFKPBYRVSA-N 172.188 0.750 10 10 ACCE Oc1ccccc1[C@@H]1CNCCN1 95690932 OCGGVAKKHYAFJW-VIFPVBQESA-N 178.235 0.626 10 10 ACCE CNC(=O)NCCN=[N+]=[N-] 125393811 IOOYKVDKECOUOQ-UHFFFAOYSA-N 143.150 0.226 10 10 ACCE [N-]=[N+]=NCCC[C@H]1C(=O)N[C@@H]1C(=O)O 196774535 GWPIKVGWAGULME-UHNVWZDZSA-N 198.182 0.276 10 10 ACCE Cc1cc([C@H](N)CCO)c(O)cc1O 214881546 CQLQDPXUABTXEC-MRVPVSSYSA-N 197.234 0.788 10 10 ACCE CC(=O)O[C@H](C)[C@@H]1NC(=O)[C@@H]1N=[N+]=[N-] 238407056 KTHPQGPQIARCCA-PQLUHFTBSA-N 198.182 0.115 10 10 ACCE Cc1cccc([C@@H](N)[C@H](O)CO)c1O 713730297 FNKUBNGPPHTEGS-RKDXNWHRSA-N 197.234 0.054 10 10 ACCE CCc1nc#cc(NN=N)n1 885238359 YTWATKQMXBLTTA-UHFFFAOYSA-N 149.157 0.997 10 10 ACCE CCN(CCN=[N+]=[N-])[C@H]1CCOC1=O 1887718418 WLZZAPFOPWBPNV-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE CC[C@@H](C)[C@H](O)C(=O)C(C)=O 1929132632 YHTDHEBQLSHPPD-VDTYLAMSSA-N 158.197 0.552 10 10 ACCE CO[C@@H](CCN)c1cc(O)nc(O)c1 1952137016 YCNYJVCFBQOJJI-ZETCQYMHSA-N 198.222 0.529 10 10 ACCE CN(CCN=[N+]=[N-])CC(C)(C)N 1953752572 WDGZDCRMSPWWGI-UHFFFAOYSA-N 171.248 0.966 10 10 ACCE C[C@H](N)Cc1cc(O)c(O)cc1N 5141548 PATKONGWKTXWGG-YFKPBYRVSA-N 182.223 0.570 10 10 ACCE NC(=O)CCCOc1ccc(N)cc1 108233864 HOCGWQPTRNTXRK-UHFFFAOYSA-N 194.234 0.913 10 10 ACCE CO/C=C1/C(=O)OC(C)(C)O[C@H]1O 221134192 DGHARQKIBWPBBP-BMMSZFGTSA-N 188.179 0.145 10 10 ACCE CC(=O)C(=O)[C@H]1COC(C)(C)O1 238045900 PDHAYAVAMQRKSH-ZCFIWIBFSA-N 172.180 0.296 10 10 ACCE C[C@@]1(O)CCOC[C@@H]1N=[N+]=[N-] 238501639 XJWWSSVCVMBRSI-NTSWFWBYSA-N 157.173 0.837 10 10 ACCE NC[C@@]1(c2ccccc2O)CCCN1 258344399 VOFVZLDLMZAMQF-LLVKDONJSA-N 192.262 0.930 10 10 ACCE CO[C@@](C)(CO)CN=[N+]=[N-] 687756454 OJXSYVBDHLYJNV-RXMQYKEDSA-N 145.162 0.694 10 10 ACCE C[C@H]1[C@@H](O)CCN1CCN=[N+]=[N-] 1912145961 NMWNMRHHTLAPJZ-BQBZGAKWSA-N 170.216 0.752 10 10 ACCE Cc1cc(CN)c(O)c(CN)c1 40504237 WFUYUPBXEWUWNA-UHFFFAOYSA-N 166.224 0.618 10 10 ACCE C[C@@H](O)[C@@H](N)c1c(O)cc(O)cc1O 95669339 GFGNVKRRLFSAFE-ALFREKQPSA-N 199.206 0.184 10 10 ACCE O=C1COC[C@H](c2ccccc2O)N1 108373291 FPSSHAZFOUFWQZ-MRVPVSSYSA-N 193.202 0.580 10 10 ACCE COC(=O)c1cc(N)cc(O)c1O 213038302 HQUIFWXESNPEPV-UHFFFAOYSA-N 183.163 0.467 10 10 ACCE OC[C@@H](NO)c1ccc(O)cc1O 306500847 ZEBAWVBCOCUJCB-SSDOTTSWSA-N 185.179 0.110 10 10 ACCE Cn1cnc([C@H](CO)N=[N+]=[N-])c1 1535782682 QXANGOMZUUICIH-LURJTMIESA-N 167.172 0.764 10 10 ACCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CCCO1 1535857523 LECVZCYYUXNEGU-WDSKDSINSA-N 157.173 0.837 10 10 ACCE NCCSc1ncc(N)s1 1880080933 MYVNQKACKNZJAD-UHFFFAOYSA-N 175.282 0.776 10 10 ACCE CC(=O)C(=O)C1(O)CCCCC1 1929109840 CUCLZYQTUKHOQQ-UHFFFAOYSA-N 170.208 0.840 10 10 ACCE CC(=O)C(=O)c1cnc(N(C)C)s1 1951734674 RZSGBEIGBIVXOB-UHFFFAOYSA-N 198.247 0.981 10 10 ACCE C[C@@H]1[C@H]2CNC[C@H]2CN1CCN=[N+]=[N-] 1957248167 BHRGUZTUPDLGOW-HRDYMLBCSA-N 195.270 0.836 10 10 ACCE NCc1c(O)cccc1C=O 95720455 WWXJILFIUYJIIZ-UHFFFAOYSA-N 151.165 0.663 10 10 ACCE Oc1ccc([C@@H]2CCN2)c(O)c1O 95784697 JFXDYUCOUGYPTI-LURJTMIESA-N 181.191 0.838 10 10 ACCE [N-]=[N+]=N[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1F 146525515 FIGFTOZSFPNVFY-QZABAPFNSA-N 189.146 0.119 10 10 ACCE CNCC(=O)c1c(F)ccc(O)c1O 258185668 RGMDMVXFYXAEEE-UHFFFAOYSA-N 199.181 0.639 10 10 ACCE COC(=O)c1ccc(O)nc1O 260955119 HNDHVFMAHJQGJQ-UHFFFAOYSA-N 169.136 0.279 10 10 ACCE CN(c1ccc(N)cc1)C(CO)CO 308458519 DXBKIPJCQYYZEC-UHFFFAOYSA-N 196.250 0.058 10 10 ACCE COC(=O)N=NC(C)(C)N 383549168 MYCYZJFHONNOMQ-UHFFFAOYSA-N 145.162 0.900 10 10 ACCE Cn1cnc(CN2CC(N=[N+]=[N-])C2)n1 1894361127 ZSFICFODZKPZOA-UHFFFAOYSA-N 193.214 0.310 10 10 ACCE [N-]=[N+]=NCCN1CCN(C=O)CC1 1954206510 HNAYYXPBXJBTQO-UHFFFAOYSA-N 183.215 0.071 10 10 ACCE CC(C)N1C(=O)N=C(N)[C@@H]1CN=[N+]=[N-] 87010409 IBXKSMNNPIXPLK-YFKPBYRVSA-N 196.214 0.867 10 10 ACCE CC[C@@H](N)c1cc(C(N)=O)ccc1O 104513592 ORQPDCWQQBEPLL-MRVPVSSYSA-N 194.234 0.901 10 10 ACCE CN(C)NCc1cccc(O)c1O 134174965 HRRKXHDFQCTSJM-UHFFFAOYSA-N 182.223 0.664 10 10 ACCE CNCc1c(O)ccc2c1OCCO2 212147587 JQMCFGUVJQRRGZ-UHFFFAOYSA-N 195.218 0.883 10 10 ACCE NCC(CN)c1ccc(O)c(O)c1 238610881 XCTCAUXGJYVMHV-UHFFFAOYSA-N 182.223 0.099 10 10 ACCE NCc1c(F)ccc(O)c1O 238623123 VPILWWVXWFNKME-UHFFFAOYSA-N 157.144 0.696 10 10 ACCE O=[N+]([O-])c1cc(O)c(F)c(O)c1O 238704194 YDSOTPODJWRMKZ-UHFFFAOYSA-N 189.098 0.851 10 10 ACCE [N-]=[N+]=NCCOC[C@@H](O)CN=[N+]=[N-] 238711474 KPOJVRYEPFXQSD-YFKPBYRVSA-N 186.175 0.985 10 10 ACCE [N-]=[N+]=NCCn1cc(C(=O)O)nn1 1912201132 PTGVYMSPHIJOQT-UHFFFAOYSA-N 182.143 0.287 10 10 ACCE CC(=O)C(=O)[C@]1(O)COC(C)(C)C1 1929242678 VKGUTSGCASUOMV-SECBINFHSA-N 186.207 0.075 10 10 ACCE C[C@H](CN)c1cc(O)c(O)c(O)c1 1951530237 GECKLMKIFROTOQ-RXMQYKEDSA-N 183.207 0.866 10 10 ACCE CC(=O)[C@@H](N)Cc1cccc(O)c1O 1951721411 DGEFYYAPMLRTKP-QMMMGPOBSA-N 195.218 0.557 10 10 ACCE [N-]=[N+]=NCCCCN1C[C@H](O)CO1 1954827778 BOZVDAGBDNRTLI-ZETCQYMHSA-N 186.215 0.685 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H](C2CNC2)C1 1957244216 NWBWFCIQYJRDHB-MRVPVSSYSA-N 195.270 0.838 10 10 ACCE Oc1ccccc1[C@@H]1NCC[C@@H]1O 82397239 KJGUCQQZDQNWPW-UWVGGRQHSA-N 179.219 0.788 10 10 ACCE CN(C)CCc1cccc(CN)c1O 108373858 UACUBIIUSMRTNL-UHFFFAOYSA-N 194.278 0.955 10 10 ACCE COc1ncccc1/N=N/N(C)CO 137244288 QAJWVZJJYFVSHG-ZHACJKMWSA-N 196.210 0.971 10 10 ACCE NC[C@]1(c2ccccc2O)CCCN1 258344400 VOFVZLDLMZAMQF-NSHDSACASA-N 192.262 0.930 10 10 ACCE COc1ccc(N(C)CNN)cc1 259111174 PETGPTOAXRJXMU-UHFFFAOYSA-N 181.239 0.552 10 10 ACCE N/N=N/[C@@H]1CCC[C@H]1O 306208699 LUVPOZKOFRJYCK-RFZPGFLSSA-N 129.163 0.226 10 10 ACCE CCOC(=O)/C(=C\O)c1ccncn1 382571904 OVOKUZGDSHSNFN-ALCCZGGFSA-N 194.190 0.939 10 10 ACCE [N-]=[N+]=NCCCn1ccncc1=O 393549855 BGFSAPYPBQVSDG-UHFFFAOYSA-N 179.183 0.944 10 10 ACCE [N-]=[N+]=NCCS(=O)(=O)C1CC1 1880199403 AHOHVZXJUMGZGH-UHFFFAOYSA-N 175.213 0.874 10 10 ACCE Cc1ccnn(CCN=[N+]=[N-])c1=O 1884166985 XNZIFWKSHNNFEY-UHFFFAOYSA-N 179.183 0.862 10 10 ACCE ONCc1cc(O)c(O)c(O)c1 1951357654 LFCLDKIZQDRHRV-UHFFFAOYSA-N 171.152 0.282 10 10 ACCE CC(=O)C(=O)c1cncn1C 1951581681 LQMBNSXUTHLXBX-UHFFFAOYSA-N 152.153 0.192 10 10 ACCE C[C@H](N)[C@@H](O)c1ccc(O)c(O)c1O 1951964934 FJDHJEGWEVZHRA-MHTLYPKNSA-N 199.206 0.184 10 10 ACCE N[C@H]1C[C@H]1Cc1ccc(O)c(O)c1O 1952570452 CUTMCZKNIYMNCP-RQJHMYQMSA-N 195.218 0.693 10 10 ACCE CN[C@@H]1CCN(CCN=[N+]=[N-])C1 1953759340 ZESMWWCRYQWMPE-SSDOTTSWSA-N 169.232 0.590 10 10 ACCE [N-]=[N+]=NCCN1CCN[C@H]2CC[C@@H]21 1954208287 KYRZCEMHVUJBEG-YUMQZZPRSA-N 181.243 0.733 10 10 ACCE Oc1cc(O)c(O)c(O)c1O 5368850 RUFWIGMRKSSQJC-UHFFFAOYSA-N 158.109 0.215 10 10 ACCE CC[C@H](N=[N+]=[N-])[C@H](O)CC(=O)OC 38251532 RDESGHRGVYBCDV-NTSWFWBYSA-N 187.199 0.999 10 10 ACCE CC[C@@H](N)c1cc(N)c(O)c(O)c1O 83165274 VYFYBEFFGDCTGE-RXMQYKEDSA-N 198.222 0.795 10 10 ACCE C[C@H](CN)[C@H](O)c1ccc(O)c(O)c1 84360954 HXJDQWUXIRNFHW-LDWIPMOCSA-N 197.234 0.726 10 10 ACCE COc1cccc(CNO)c1O 132174033 FZFBEEROWNXARP-UHFFFAOYSA-N 169.180 0.880 10 10 ACCE 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[N-]=[N+]=N[C@H]1[C@@H](O)CC[C@@H](N=[N+]=[N-])[C@@H]1O 307535196 QYYNSPGJENPPJY-VANKVMQKSA-N 198.186 0.860 10 10 ACCE NCCC[C@@H](N)c1ccc(O)c(O)c1 575439122 SZPSFHCSUDUHBP-MRVPVSSYSA-N 196.250 0.837 10 10 ACCE O=C1CCC2(CC2)C1=O 575590524 SMLRJRZRKOOMLQ-UHFFFAOYSA-N 124.139 0.699 10 10 ACCE [N-]=[N+]=NCCN1CCO[C@@H]2COC[C@@H]21 1876518812 YVLKYBPXYAYCOL-JGVFFNPUSA-N 198.226 0.396 10 10 ACCE [N-]=[N+]=NCCNC(=O)N1CC[C@@H](O)C1 1912164443 BCESOKDNSXIQDA-ZCFIWIBFSA-N 199.214 0.073 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(C)CC(C)C1 1934970541 SJBZGQCUFXGXAG-CMHPJINISA-N 184.235 0.942 10 10 ACCE COC[C@@](C)(N)c1ccc(O)cc1O 1951660685 PHHFQDNMUPZUSG-SNVBAGLBSA-N 197.234 0.918 10 10 ACCE Cn1nccc1C(=O)NCCN=[N+]=[N-] 42012681 UFXKQWZLIHZKKY-UHFFFAOYSA-N 194.198 0.460 10 10 ACCE NC[C@@H](N)c1c(O)cc(F)cc1F 72200313 LQMRAMIFSFYYDH-ZCFIWIBFSA-N 188.177 0.629 10 10 ACCE [N-]=[N+]=N[C@@H](CCC(=O)O)C(=O)O 196488703 LZCVHTMSUUPMAW-VKHMYHEASA-N 173.128 0.615 10 10 ACCE CC(=O)C(=O)c1cscn1 201804752 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N[C@H](C(=O)O)c1c(O)cccc1F 72191067 VNOCFNKFGHDFOK-ZETCQYMHSA-N 185.154 0.616 10 10 ACCE COC(=O)[C@@](C)(N)c1ccccc1O 95748055 VHYSTUUUZCUFKY-JTQLQIEISA-N 195.218 0.739 10 10 ACCE CN1C(=O)C(=O)c2cc(O)c(O)cc21 198844953 ALEVVGGRRIEUPD-UHFFFAOYSA-N 193.158 0.257 10 10 ACCE [N-]=[N+]=NCc1cc(=O)c(O)c(CO)o1 201063258 CUDNOXGMFADCQO-UHFFFAOYSA-N 197.150 0.648 10 10 ACCE C[C@H](O)[C@@H](N)c1ccc(N)cc1O 238465777 BGTZDMXAERRYKX-SSDLBLMSSA-N 182.223 0.355 10 10 ACCE C[C@H](O)[C@H](CO)N=[N+]=[N-] 238484298 ZSAAIHCECJJRIS-IMJSIDKUSA-N 131.135 0.038 10 10 ACCE [N-]=[N+]=NC1CC2(C1)NC(=O)NC2=O 306943558 AAZZZFPKGDLBRE-UHFFFAOYSA-N 181.155 0.037 10 10 ACCE CC[C@@H](N)[C@H](N)c1ccc(O)c(O)c1 306945402 LASCULNGDQUOFO-GMSGAONNSA-N 196.250 0.835 10 10 ACCE CNC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912143717 JSHOLOUKZHEXHP-YFKPBYRVSA-N 169.188 0.710 10 10 ACCE CO[C@H](C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912175826 QRSOGXAARHOUTR-RQJHMYQMSA-N 198.226 0.933 10 10 ACCE Nc1ccc(CN2CC(CO)C2)cc1 1929742186 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ACCE COC(=O)[C@@H]1O[C@H](C)[C@H]1N=[N+]=[N-] 211334514 YWXQWKHZEZAXFB-UOWFLXDJSA-N 171.156 0.626 10 10 ACCE [N-]=[N+]=N[C@H](O)[C@@H](O)N=[N+]=[N-] 223071017 RRTVHLZTAWJSNN-JCYAYHJZSA-N 144.094 0.244 10 10 ACCE [N-]=[N+]=NCCCCN1CC[C@H]1C(N)=O 1912156082 SJCOPTFBYRSXOA-ZETCQYMHSA-N 197.242 0.637 10 10 ACCE N[C@H]1C[C@@H]1c1cc(O)c(O)c(O)c1 1951322992 GQAUMAVMYRJZOL-RITPCOANSA-N 181.191 0.618 10 10 ACCE CC(=O)C(=O)[C@H](O)C1[C@@H]2CCCC[C@@H]12 1956477242 YMHLRKUIPNLQQG-SOCHQFKDSA-N 196.246 0.942 10 10 ACCE CC(=O)c1cc(N)cc(O)c1O 2060281822 VYAJKOPUCYHCGA-UHFFFAOYSA-N 167.164 0.883 10 10 ACCE CC1(C)NC(=O)[C@@H]1N=[N+]=[N-] 164618348 RPWNIVGQTWCQCP-VKHMYHEASA-N 140.146 0.574 10 10 ACCE Cc1ccc(O)c([C@H](N)C(=O)O)c1F 214142094 WRBJRWBPYZGILM-QMMMGPOBSA-N 199.181 0.924 10 10 ACCE CO[C@H]1COC[C@H](CN=[N+]=[N-])O1 238361024 MWJDUPVEVJNSDR-NTSWFWBYSA-N 173.172 0.685 10 10 ACCE C[C@@]1(CO)O[C@]1(C)CN=[N+]=[N-] 238494981 SNWZIORLUFZSPD-RITPCOANSA-N 157.173 0.837 10 10 ACCE COC(=O)[C@H]1CCC[C@H](N=[N+]=[N-])[C@H]1O 306785101 SUKQGGHQVBVYGZ-ACZMJKKPSA-N 199.210 0.999 10 10 ACCE CC(=O)N[C@H]1CC[C@H](N=[N+]=[N-])[C@H]1O 307189161 XUTBOIAZKIDEFO-ACZMJKKPSA-N 184.199 0.325 10 10 ACCE [N-]=[N+]=NCCNC(=O)C[C@@H]1CCOC1 401513660 JKPSMJBQKSECFD-ZETCQYMHSA-N 198.226 0.840 10 10 ACCE CC(=O)C(=O)COC(=O)C12CC(C1)C2 860273097 NLDYXXCSWLXLAW-UHFFFAOYSA-N 196.202 0.488 10 10 ACCE C[C@H](O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1882336414 NWDNDNHLNJXQNH-NTSWFWBYSA-N 184.199 0.278 10 10 ACCE COC[C@H](N)COc1ccc(N)cc1 1896269869 YBIQTOCTOAHLNM-VIFPVBQESA-N 196.250 0.621 10 10 ACCE CC1(CN)CN(CCCN=[N+]=[N-])C1 1954206384 FSBPRLZAYWIVAI-UHFFFAOYSA-N 183.259 0.967 10 10 ACCE OCCNCc1c(O)cccc1F 1954509127 ZNXNEDJNICETOB-UHFFFAOYSA-N 185.198 0.613 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@H]21 1957033460 PXDPMEDHLJBLLP-IRHRITDKSA-N 194.230 0.552 10 10 ACCE NC(=O)c1cc(O)c(O)cc1Cl 2054847456 JOJLWVALLIALAZ-UHFFFAOYSA-N 187.582 0.850 10 10 ACCE COC(=O)[C@H](N=[N+]=[N-])[C@@H](C)O 96023231 LCMFQTRYXVCINX-QWWZWVQMSA-N 159.145 0.219 10 10 ACCE C[C@@](N)(C(=O)O)c1ccc(O)cc1O 238415839 QYYCMLKLEWQKJK-VIFPVBQESA-N 197.190 0.356 10 10 ACCE [N-]=[N+]=N[C@@H]1COC[C@@H]1C(=O)O 238692061 ZFBOBLXVDXFYNT-IUYQGCFVSA-N 157.129 0.396 10 10 ACCE CC[C@@H](N)[C@H](N)c1cc(O)ccc1O 306679434 HQUXRKKLEQKZQK-PSASIEDQSA-N 196.250 0.835 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCOC2=O)C1 1912193205 MPVUGVWMGQGFCD-RNFRBKRXSA-N 196.210 0.687 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1CCC[C@H]1C 1930429207 JLZZLOIRWVPHAV-GTNGPMTGSA-N 184.235 0.942 10 10 ACCE CO[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1OC 1953788751 VYLPQVJPDNUDFL-JWXFUTCRSA-N 187.199 0.460 10 10 ACCE [N-]=[N+]=NC[C@@H](O)CN1CCCCC1=O 1956756357 RYADELQVKNYVME-SSDOTTSWSA-N 198.226 0.670 10 10 ACCE CS(=O)(=O)c1sccc1O 2241513348 YQIYTFMGAZALTP-UHFFFAOYSA-N 178.234 0.857 10 10 ACCE COC(=O)N1C(=O)CSC1=S 5997130 QMVFFYYZJNQAHP-UHFFFAOYSA-N 191.233 0.613 10 10 ACCE [N-]=[N+]=N[C@H](CO)[C@H](CCO)N=[N+]=[N-] 59214733 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CCCC[C@H](O)[C@@H](O)C(=O)C(C)=O 238235062 FQADDFWWZCETNJ-IONNQARKSA-N 188.223 0.057 10 10 ACCE CO[C@@H]1OC[C@@H]2O[C@@H]2[C@@H]1N=[N+]=[N-] 238368894 PCABGOUIXYQHDY-OMMKOOBNSA-N 171.156 0.435 10 10 ACCE COC[C@@H](N)c1ccc(O)cc1O 238379727 VAVLSWVYZIMIAL-MRVPVSSYSA-N 183.207 0.744 10 10 ACCE [N-]=[N+]=CC(=O)[C@H](N)Cc1ccccc1 238597208 VEXJGNHWUIYYOY-SECBINFHSA-N 189.218 0.426 10 10 ACCE Cc1c([C@@H](O)CN)cc(O)c(O)c1C 258059308 LHIPPRWYWOHCJS-VIFPVBQESA-N 197.234 0.707 10 10 ACCE [N-]=[N+]=NCc1cc(=N)[nH]cn1 1880398067 RHYJGNOGJOUYIC-UHFFFAOYSA-N 150.145 0.699 10 10 ACCE Nc1ccc(O[C@@H]2CNC[C@@H]2F)cc1 1896321377 NEJHZZSTSPNUON-VHSXEESVSA-N 196.225 0.958 10 10 ACCE C[C@]1(O)CON(CCCN=[N+]=[N-])C1 1912165468 LDBZIOBSCVKZAD-SSDOTTSWSA-N 186.215 0.685 10 10 ACCE C[C@H](CO)CN1CC[C@H](N=[N+]=[N-])C1 1912167341 JVYRSAKSGCQLNO-YUMQZZPRSA-N 184.243 0.999 10 10 ACCE NC[C@@H]1C[C@@H]1Cc1cc(O)nc(O)c1 1952678022 OFKLSUJUDFTYOL-YUMQZZPRSA-N 194.234 0.630 10 10 ACCE Cc1cc(F)cc([C@@H](N)CN)c1O 72200212 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NC1([C@@H](O)c2cccc(O)c2O)CC1 1952424334 ZTZYYDSNYPPYJO-VIFPVBQESA-N 195.218 0.623 10 10 ACCE CO[C@@H]1C[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](C)O1 17021085 MCEQCNCTLXUNDM-JWXFUTCRSA-N 187.199 0.808 10 10 ACCE N[C@@H](CCO)c1cccc(O)c1O 44232118 AAWKWDVSZQSUHT-ZETCQYMHSA-N 183.207 0.480 10 10 ACCE CN[C@H](C)C(=O)c1ccc(O)c(O)c1 75597666 NIRQIFAAAYJDGZ-ZCFIWIBFSA-N 195.218 0.888 10 10 ACCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1CC1 85224449 XLSPQVFVZAWVOT-QMMMGPOBSA-N 197.242 0.540 10 10 ACCE CO[C@H](CN=[N+]=[N-])c1cnn[nH]1 238402681 QVMOWQGNCAQTCT-RXMQYKEDSA-N 168.160 0.803 10 10 ACCE Cc1cccc(O)c1[C@H](N)C(=O)O 238536710 FWRFATRPTBMCSL-QMMMGPOBSA-N 181.191 0.785 10 10 ACCE [N-]=[N+]=NC1[C@H]2OC3OC4[C@@H]2[C@@H]4[C@@H]1O3 238588780 XPIPIEHKTFSQNO-WTKQADJOSA-N 181.151 0.391 10 10 ACCE O=N[C@H]1SC(=S)NC1=O 238603557 DISOFBFXTCBUQE-REOHCLBHSA-N 162.195 0.227 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1CC12CCC2 1890333517 LLAZKBDHQSBLRK-IONNQARKSA-N 182.219 0.696 10 10 ACCE [N-]=[N+]=NC1CN(CCn2cncn2)C1 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CCOc1ccc(O)c([C@H](N)CN)c1 72200481 XQLUTVXAJIWKAL-SECBINFHSA-N 196.250 0.749 10 10 ACCE CC(C)C(=O)C(=O)[C@@H](O)C(C)C 78318235 FASMBKXNOGTYOM-ZETCQYMHSA-N 172.224 0.798 10 10 ACCE C[C@H]1C(=O)NCCN1CCCN=[N+]=[N-] 82475697 MSKXMZOCOVRWNG-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE Cn1ncnc1CN=[N+]=[N-] 83972266 KZLSPLKUFFBKNS-UHFFFAOYSA-N 138.134 0.625 10 10 ACCE COc1cccc(CNC=O)c1O 238370955 ASUNVPOLXALBFW-UHFFFAOYSA-N 181.191 0.647 10 10 ACCE [N-]=[N+]=N[C@H]1CC=C[C@@H]1O 238721702 RHGVQHREPHQKFR-WHFBIAKZSA-N 125.131 0.986 10 10 ACCE ONCc1ccc(F)c(O)c1O 258099813 XQLXDOWRDRZIMU-UHFFFAOYSA-N 173.143 0.716 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CCN[C@@H]2C1 1882909808 KLIMOBICIBCXPW-JGVFFNPUSA-N 181.243 0.590 10 10 ACCE [N-]=[N+]=NCCCCNC(=O)C1COC1 1884428891 NHPLIVIYPBVIAI-UHFFFAOYSA-N 198.226 0.840 10 10 ACCE CC(=O)[C@H](O)Cc1ccc(O)c(O)c1 1951651462 PYXRDJHEDDGEGM-SECBINFHSA-N 196.202 0.590 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H](C)C1CCC1 1954807450 MYLWGIIAUXAAOF-HZGVNTEJSA-N 184.235 0.942 10 10 ACCE O=C1Nc2ncccc2N/C1=C\O 100514983 DFAINZYDMJDVLL-XQRVVYSFSA-N 177.163 0.845 10 10 ACCE CN[C@@H](C(=O)OC)c1ccccc1O 130272280 KJMZGZWVBKDLDX-SECBINFHSA-N 195.218 0.826 10 10 ACCE COc1ccc(O)c2c1OC[C@@H]2N 238381405 LVHRXIVNFXQQTO-YFKPBYRVSA-N 181.191 0.793 10 10 ACCE O=C1N[C@H]2c3nocc3C[C@@H]2/C1=C/O 238610244 WPHKJGOFCDRXKX-OCXWAMKWSA-N 192.174 0.460 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)[C@@H]1O 238660101 VHEDFEZZJZBTOT-UOWFLXDJSA-N 143.146 0.181 10 10 ACCE Oc1cc(O)c([C@@H]2CCNC2)cc1O 238719523 IAJDHHNPXNNODS-ZCFIWIBFSA-N 195.218 0.880 10 10 ACCE C[C@H](N)c1c(O)ccc(O)c1N 238804840 XDUBYNXHRLOSRV-BYPYZUCNSA-N 168.196 0.700 10 10 ACCE COC(=O)c1sc(CN)cc1O 260254028 SSLVBCMGEABYMR-UHFFFAOYSA-N 187.220 0.699 10 10 ACCE [N-]=[N+]=NC[C@@H]1CN2C[C@H](O)C[C@@H]2CO1 687824501 OJWYQFIHZXBHFO-BWZBUEFSSA-N 198.226 0.131 10 10 ACCE Nc1ccc(N2CCNNCC2)cc1 1888905876 VMWAEQWBOBGTPA-UHFFFAOYSA-N 192.266 0.183 10 10 ACCE OCC1(c2cc(O)nc(O)c2)CCC1 1952365064 MRBNTBUNUPZSKT-UHFFFAOYSA-N 195.218 0.907 10 10 ACCE C[S@@](=O)C1CN(CCN=[N+]=[N-])C1 1953706731 XZVISOUUGQEWBM-GFCCVEGCSA-N 188.256 0.359 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1N 1953758922 RYMXHCCKTZSPHM-RNFRBKRXSA-N 169.232 0.576 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2[C@H](N)[C@H]2C1 1954208819 UDKIPUAEEJQQTL-JIGDXULJSA-N 181.243 0.576 10 10 ACCE [N-]=[N+]=NCCN1CC=CCC12CNC2 1957245526 YDIDXJLGKNONMM-UHFFFAOYSA-N 193.254 0.901 10 10 ACCE ONCc1ccc(O)cc1O 38433814 MVJGVEVPAGILEY-UHFFFAOYSA-N 155.153 0.577 10 10 ACCE C=Cc1ccc(O)c([C@@H](N)CN)c1 72200108 XXULMFWPKLFAFJ-VIFPVBQESA-N 178.235 0.994 10 10 ACCE Cc1cc(C)c(O)c([C@@H](N)CN)c1 72200158 ZSAVWVDDYWPSRB-VIFPVBQESA-N 180.251 0.968 10 10 ACCE O=NN(O)Cc1cc(O)ccc1O 89456013 SOKNCOWJGMUWFT-UHFFFAOYSA-N 184.151 0.970 10 10 ACCE N[C@H]1CCc2c1cc(O)c(O)c2O 104669680 KOVLRZJYHHJROO-LURJTMIESA-N 181.191 0.749 10 10 ACCE COC[C@H](N)c1cc(O)ccc1O 238360551 UIIIAUQRZYGZIS-QMMMGPOBSA-N 183.207 0.744 10 10 ACCE CN1CCc2cc([C@H](O)CO)ccc21 1535880148 BAEPAJDDGMYINW-LLVKDONJSA-N 193.246 0.705 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@]2(C)CCO[C@@H]21 1933400561 JOFNCKJJXPKCFA-LPEHRKFASA-N 198.218 0.075 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H](CO)[C@@H]2C1 1957215556 CSLGQAGFFYBOIZ-DJLDLDEBSA-N 196.254 0.857 10 10 ACCE CN1CCOC[C@@H]1CN=[N+]=[N-] 2241504386 ORUDBQANARGBRL-LURJTMIESA-N 156.189 0.627 10 10 ACCE N[C@H](CO)c1cccc(C(=O)O)c1O 72197797 GMHIWONJAWOKFA-SSDOTTSWSA-N 197.190 0.083 10 10 ACCE CO[C@@H]1C[C@@H](N=[N+]=[N-])C[C@@H](CO)O1 238332724 IUQOICFZWYJUSW-ACZMJKKPSA-N 187.199 0.809 10 10 ACCE COCO[C@@H]1C=CC[C@@H](N=[N+]=[N-])[C@@H]1N 238348213 TUAHPDTYMMNZFH-PRJMDXOYSA-N 198.226 0.942 10 10 ACCE CO[C@@H]1O[C@H](CN=[N+]=[N-])C[C@@H]1O 238350623 SGKDNZHDYPIAMA-HCWXCVPCSA-N 173.172 0.419 10 10 ACCE O=C1N[C@@H]2c3ocnc3C[C@H]2/C1=C/O 238609345 MTYWKTFCMVCBSR-MOBZRVRQSA-N 192.174 0.460 10 10 ACCE O=C1N[C@H]2c3cnoc3C[C@@H]2/C1=C/O 238610496 VOECTDVXTSLEMB-OVOMYQAASA-N 192.174 0.460 10 10 ACCE CC(=O)C(=O)C1(O)[C@@H](C)C[C@@H]1C 1888097598 RKHOCDQGERRUTM-WDSKDSINSA-N 170.208 0.552 10 10 ACCE Nc1ccc(N2C[C@@H]3C[C@@]3(N)C2)cc1 1888905577 QKOMVUDOGPFIAB-GZMMTYOYSA-N 189.262 0.806 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1CCCC[C@H]1N 1890812755 ZNZMCVVBMTXYEE-NQMVMOMDSA-N 199.250 0.023 10 10 ACCE CC(=O)C(=O)[C@](C)(O)c1ccoc1 1929171095 YQLLPOUPYMPWRA-SECBINFHSA-N 182.175 0.645 10 10 ACCE CC(=O)[C@@H](N)c1ccc(O)c(O)c1 104674378 ZHOWXFNZOCWEIY-SECBINFHSA-N 181.191 0.687 10 10 ACCE [N-]=[N+]=NC[C@@H]1CN2C(=O)C[C@@H]2O1 138520786 BTNALJLMOCPLIL-XINAWCOVSA-N 168.156 0.254 10 10 ACCE C[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H](O)[C@@H]1O 149199020 YIZJYKKCOVLWHM-KAZBKCHUSA-N 173.172 0.011 10 10 ACCE CO[C@H]1COc2cccc(O)c2[C@@H]1N 238402003 KAKZXGITILKCEM-WCBMZHEXSA-N 195.218 0.799 10 10 ACCE C[C@](N)(CO)c1c(O)cccc1CO 238505494 YOCKZMZTYLKATH-JTQLQIEISA-N 197.234 0.051 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@@H](O)C[C@@H](O)O1 238708517 CTXAAZSHFPRHBM-SRQIZXRXSA-N 173.172 0.155 10 10 ACCE ONCc1c(O)ccc2c1OCO2 258072751 MJKDFYLRUYEUHG-UHFFFAOYSA-N 183.163 0.600 10 10 ACCE Cc1nccn(CCN=[N+]=[N-])c1=O 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196.250 0.752 10 10 ACCE O=C1C(=O)[C@@H]2C=CC[C@H]12 196414412 QPPQWRDZGMHZPN-UHNVWZDZSA-N 122.123 0.331 10 10 ACCE Cn1cccc1CNC(N)=S 231884277 BKQSELBCGZVWPD-UHFFFAOYSA-N 169.253 0.358 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@@H]2O[C@@H]21 238708399 KDLWMXUNCMQCJL-LECHCGJUSA-N 141.130 0.197 10 10 ACCE Nc1ccc(NCc2c[nH]nn2)cc1 307129252 XWXOGHOEGILWKP-UHFFFAOYSA-N 189.222 0.999 10 10 ACCE C/C=C\[C@@H]1NC(=O)[C@H]1N=[N+]=[N-] 307861578 LJTVVPWYNMFRSY-SQMQFIGQSA-N 152.157 0.740 10 10 ACCE CC(=S)[CH-]C(N)=O 1615821386 YJZIZFDIRSERFD-UHFFFAOYSA-N 116.165 0.066 10 10 ACCE C[C@@H]1CNC(=O)CN1CCCN=[N+]=[N-] 1885613542 DUFHTYBNBWQLEU-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE NCCOCCOc1ccc(N)cc1 1896269863 XXNRWXBJCVOMRX-UHFFFAOYSA-N 196.250 0.623 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]1CO 1912166016 REQMXRFEHIAVDR-ZCFIWIBFSA-N 156.189 0.363 10 10 ACCE NC[C@@H](N)c1cc([N+](=O)[O-])ccc1O 72200511 CMJKEDPPKOGYSV-SSDOTTSWSA-N 197.194 0.259 10 10 ACCE NCc1ccc(NC(N)=O)cc1O 82635126 ZKGKWWUEOZWOKS-UHFFFAOYSA-N 181.195 0.342 10 10 ACCE COc1cc(N)c(O)c2c1CC[C@@H]2N 238374984 FBJWCQOSIXPPFS-LURJTMIESA-N 194.234 0.929 10 10 ACCE O=C1N[C@H]2c3nocc3C[C@H]2/C1=C/O 238609175 WPHKJGOFCDRXKX-AVKWXPQUSA-N 192.174 0.460 10 10 ACCE [N-]=[N+]=NC[C@H]1NCCCO1 885230787 HMLRNTODOYZUHV-YFKPBYRVSA-N 142.162 0.633 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1cn[nH]c1 1535843930 CTWAFUUDHZBOEC-YFKPBYRVSA-N 153.145 0.753 10 10 ACCE CC[C@H](OC)C(=O)[C@H]1CCC(=O)C1=O 1924095845 YGYCFZOLYFNYAZ-XPUUQOCRSA-N 198.218 0.529 10 10 ACCE CC(C)C(=O)[C@H]1CCC(=O)C1=O 1932573888 QTZBPRUXFTYLGZ-ZCFIWIBFSA-N 168.192 0.760 10 10 ACCE CC(=O)C(=O)[C@H](CO)c1ccccc1 1951498541 BQNQVOPXAWMPIP-SNVBAGLBSA-N 192.214 0.921 10 10 ACCE O=C1O[C@@H]2CC=C[C@@H]2C1=CO 2293641075 IFWDODLFYRKCQR-IYSWYEEDSA-N 152.149 0.930 10 10 ACCE Cc1c(O)c(O)c(O)c2c1CO[C@H]2O 3959899 GSKYCPXSDLXGEW-SECBINFHSA-N 198.174 0.633 10 10 ACCE [N-]=[N+]=NCC[C@@H]1CC(C(=O)O)=NO1 39017832 QTOQZZHQWLYPGL-SCSAIBSYSA-N 184.155 0.916 10 10 ACCE NCc1cccc(CCC(=O)O)c1O 84250614 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CC(C)(N=[N+]=[N-])[C@H](O)C(=O)O 214860845 SOCSOCPZOJKUNX-GSVOUGTGSA-N 159.145 0.521 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](C(N)=O)C[C@@H]1O 238562442 SCYNLSVBPMUQTJ-JKUQZMGJSA-N 184.199 0.312 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H]2OC[C@@H](O2)[C@@H]1O 238722076 APMDJUZTSVOTDG-BGPJRJDNSA-N 171.156 0.171 10 10 ACCE N[C@@]1(CO)CCc2ccc(O)c(O)c21 713762646 LMDOCROUZCIPAI-SNVBAGLBSA-N 195.218 0.190 10 10 ACCE CC(=O)C(=O)[C@H]1CCN(C)C(=O)C1 1951720613 IKTJOEXDMLZXDL-ZETCQYMHSA-N 183.207 0.013 10 10 ACCE COC(=O)C=S(C)C 32142028 YUGSXKHBOJAXSL-UHFFFAOYSA-N 134.200 0.490 10 10 ACCE C[C@H]1Nc2cc(O)c(O)cc2NC1=O 76635990 CSNXPAGPQCZKLJ-SCSAIBSYSA-N 194.190 0.850 10 10 ACCE CC(C)CC(=O)C=[N+]=[N-] 84425921 HRUNSBIKZLBZRH-UHFFFAOYSA-N 126.159 0.902 10 10 ACCE CC(=O)OC(C)(C)C(=O)C(C)=O 196510066 YEDIRBPQVCZWFW-UHFFFAOYSA-N 172.180 0.486 10 10 ACCE N[C@@H](C(=O)O)c1ccc(S)cc1O 220811494 GXUQWKYBSBKLOF-SSDOTTSWSA-N 199.231 0.765 10 10 ACCE C[C@@](O)(CN=[N+]=[N-])[C@@]1(C)CO1 238466979 NPWVHVTXOHSFKK-PHDIDXHHSA-N 157.173 0.837 10 10 ACCE C[C@](N)(CO)c1ccc(S)cc1O 238510987 XEUUALXHPYDALR-VIFPVBQESA-N 199.275 0.847 10 10 ACCE N[C@@H](CO)c1cc(O)c(O)c(F)c1 257979226 DOCZCRCVXKQHSG-LURJTMIESA-N 187.170 0.229 10 10 ACCE COC(=O)c1cc(CN)c(O)cc1O 258150478 TYZJTGJUWOZYMG-UHFFFAOYSA-N 197.190 0.343 10 10 ACCE CO[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1N=[N+]=[N-] 306598117 OWYCFSUVQCLLDC-KVTDHHQDSA-N 191.162 0.367 10 10 ACCE C[C@@H](N)[C@H](N)c1ccccc1O 306729515 DAIAKIWVGGZLEP-MUWHJKNJSA-N 166.224 0.739 10 10 ACCE COC(=O)c1c#cc(NN=N)nn1 885364251 CPHBBIXIYNUHCT-UHFFFAOYSA-N 179.139 0.221 10 10 ACCE CCN(CCN=[N+]=[N-])[C@@H](C)CC(N)=O 1887716924 DWSYAXJAPHHBQV-ZETCQYMHSA-N 199.258 0.883 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@@H]2CNC[C@H]21 1887763157 FWAVLDXYUSOGFX-RKDXNWHRSA-N 195.270 0.981 10 10 ACCE CO[C@H](C)[C@@H](NN)c1ccccc1O 1928480855 OGQHBRRQUFTNTM-GMSGAONNSA-N 196.250 0.932 10 10 ACCE [N-]=[N+]=N[C@H]1CN(C2CC2)C[C@@H]1O 1935107102 YKJVYSWYSHRHLG-BQBZGAKWSA-N 168.200 0.504 10 10 ACCE CCN1CCN(CCN=[N+]=[N-])C(=O)C1 1956859142 SQDIHBKSPAVPDT-UHFFFAOYSA-N 197.242 0.461 10 10 ACCE CCC=CC(=O)OCC(=O)C(C)=O 1964101987 PIKVTYNJQSATFU-UHFFFAOYSA-N 184.191 0.654 10 10 ACCE OCCNCc1ccc(F)cc1O 1964535541 ITYKXELEPKGCQZ-UHFFFAOYSA-N 185.198 0.613 10 10 ACCE N[C@H](CO)c1cc(CF)ccc1O 213183726 ALAOGMVPHMFJDI-MRVPVSSYSA-N 185.198 0.854 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@@H](O)[C@@H]1O 238719033 BYJLFVCKKHKGQZ-HSUXUTPPSA-N 157.173 0.571 10 10 ACCE OCC[C@H](NO)c1ccc(O)c(O)c1 308383072 YXJCYKRJJDOEML-ZETCQYMHSA-N 199.206 0.500 10 10 ACCE NC1(c2cc(O)nc(O)c2)CC1 1951860539 PZLKGWVCQSWXPF-UHFFFAOYSA-N 166.180 0.441 10 10 ACCE CN[C@@H](C(N)=O)c1c(O)cccc1F 1955543240 DUAJCCBZSRHPOD-MRVPVSSYSA-N 198.197 0.277 10 10 ACCE [N-]=[N+]=NC[C@@H](F)[C@@H](O)C(=O)O 34304489 IBXQRBKCUZTKJE-PWNYCUMCSA-N 163.108 0.080 10 10 ACCE Oc1ccc2c(c1O)CNC2 59330135 HJAZKWRLVZALFF-UHFFFAOYSA-N 151.165 0.701 10 10 ACCE COC(=O)[C@H](N)c1cc(C)ccc1O 95639634 KDYAJTVHAXLRTA-SECBINFHSA-N 195.218 0.873 10 10 ACCE [N-]=[N+]=NS(=O)(=O)c1ccn[nH]1 223534035 FNPVDVCAHLHLJR-UHFFFAOYSA-N 173.157 0.409 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@@H]1CCOC1 229679585 PZFKFZYMTOLNDS-PHDIDXHHSA-N 157.173 0.694 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)[C@H]2C[C@H]2F)C1 1881884778 OUJWEXWWMJYOKW-NTSWFWBYSA-N 184.174 0.866 10 10 ACCE CCCN1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1935114987 UZQKFGSLZOFCRC-RNFRBKRXSA-N 170.216 0.752 10 10 ACCE C[C@H]1CNC[C@@H](C)N1CCN=[N+]=[N-] 1954209093 YUAKORZZZOOLRP-OCAPTIKFSA-N 183.259 0.979 10 10 ACCE CC1(CCOc2nnc(=N)[nH]n2)CC1 2209555495 FQXUYHCPLVLRPQ-UHFFFAOYSA-N 195.226 0.248 10 10 ACCE CC(C)CN1C(N)=NC[C@H]1CN=[N+]=[N-] 86473866 LTPMBXUBYMEKKO-ZETCQYMHSA-N 196.258 0.952 10 10 ACCE C[C@@H](CO)N(C)CCN=[N+]=[N-] 124621580 TYPJXKGGBYJOPS-LURJTMIESA-N 158.205 0.609 10 10 ACCE COC[C@@H](N)c1cccc(O)c1O 238380853 BETKZPZDSJUDLB-SSDOTTSWSA-N 183.207 0.744 10 10 ACCE [N-]=[N+]=NC[C@H](O)/C=C/[C@@H](O)CN=[N+]=[N-] 238681949 QJQPOCQJZIRIRN-IYTQHBPKSA-N 198.186 0.885 10 10 ACCE NOCCc1cccc(O)c1O 258056227 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C[C@@](N)(CCO)c1c(O)cccc1O 95747763 IYZKTGQBMNIDGN-SNVBAGLBSA-N 197.234 0.654 10 10 ACCE CN(CCO)Cc1c(N)cccc1O 204875308 ZOXIUZGDDNAEOF-UHFFFAOYSA-N 196.250 0.399 10 10 ACCE Cn1cc2c(cc1=O)CCNC2 258428146 CRUBQWQKPNIARU-UHFFFAOYSA-N 164.208 0.031 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@]2(C)C[C@H]12 1882659807 AUWMXAXFRFPGDX-SFGNSQDASA-N 182.219 0.696 10 10 ACCE CC[C@@H](OC)C(=O)[C@@H]1CCC(=O)C1=O 1924095842 YGYCFZOLYFNYAZ-HTRCEHHLSA-N 198.218 0.529 10 10 ACCE NC[C@@H](F)Cc1cccc(O)c1O 1952422537 VDZIUDPFZYMFBN-ZETCQYMHSA-N 185.198 0.937 10 10 ACCE Cc1ccccc1N1NC(=O)CC1=O 9190202 YKCKTXFMLXMMHG-UHFFFAOYSA-N 190.202 0.763 10 10 ACCE C[C@@](N)(C(=O)O)c1ccc(O)c(O)c1 34242144 SYAAHPJBUIREBK-VIFPVBQESA-N 197.190 0.356 10 10 ACCE NCc1cccc([N+](=O)[O-])c1O 40766972 BTDDBUWKJWVUGP-UHFFFAOYSA-N 168.152 0.759 10 10 ACCE COC[C@@H](CO)Nc1ccc(N)cc1 228972519 SIPWGHNCESIDMP-SNVBAGLBSA-N 196.250 0.688 10 10 ACCE O=C1N[C@@H]2c3cc[nH]c3C[C@@H]2/C1=C/O 238609779 ZOHVMLBFFGOJGQ-SJNNWYEASA-N 190.202 0.800 10 10 ACCE O=C1OCCc2cc(O)c(O)cc21 238723402 BNOFPZRFTRTUOY-UHFFFAOYSA-N 180.159 0.811 10 10 ACCE COC(=O)[C@H](N)CCN=[N+]=[N-] 238800140 SUPFYLQGGWJKEE-SCSAIBSYSA-N 158.161 0.187 10 10 ACCE CO[C@@H]1O[C@H](C)[C@@H]2O[C@@H]2[C@H]1N=[N+]=[N-] 306556237 GJGHILMYRWBGPB-XUUWZHRGSA-N 185.183 0.824 10 10 ACCE O=C1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 307633547 RFKYFDOSOGLBRF-UMRXKNAASA-N 148.161 0.577 10 10 ACCE CC(=O)O[C@@H]1C[C@H](N=[N+]=[N-])C[C@H]1CO 308384607 ZJFSUBLYHPHQFN-XLPZGREQSA-N 199.210 0.999 10 10 ACCE CNC(=O)[C@H]1CCN(CCN=[N+]=[N-])C1 398492137 SRDSHEHPEBNIRW-ZETCQYMHSA-N 197.242 0.365 10 10 ACCE CNCC(=O)c1ccc(O)c(O)c1O 1535834752 CVNUTJXWJQNNRJ-UHFFFAOYSA-N 197.190 0.206 10 10 ACCE CNC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912143716 JSHOLOUKZHEXHP-RXMQYKEDSA-N 169.188 0.710 10 10 ACCE CC(=O)C(=O)c1cc(O)ccn1 1952149854 UTUXZJDDVIZCDQ-UHFFFAOYSA-N 165.148 0.559 10 10 ACCE C[C@H]1CCNCCN1CCN=[N+]=[N-] 1954206488 HHLAHNGLFMJEBP-QMMMGPOBSA-N 183.259 0.981 10 10 ACCE NC(=O)c1ccc(O)c(O)c1Cl 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C[C@@H](NCCN=[N+]=[N-])C(=O)O 85223811 ADXFXGCIMPHDBD-SCSAIBSYSA-N 158.161 0.359 10 10 ACCE Nc1ccc(N[C@@H](CO)C(=O)O)cc1 90133024 GCISFJHGPNIJDH-QMMMGPOBSA-N 196.206 0.126 10 10 ACCE CC(=O)C(=O)CC(=O)C(F)(F)F 122638487 ORIKLZSPQAVGLH-UHFFFAOYSA-N 182.097 0.666 10 10 ACCE CC(=O)C(=O)c1cc(O)c(C)n1C 196475182 HQXVWXPXSCFAAE-UHFFFAOYSA-N 181.191 0.811 10 10 ACCE CC(=O)Nc1cc(C=O)cc(O)c1O 214782898 AHPRQGQXXOWKOE-UHFFFAOYSA-N 195.174 0.869 10 10 ACCE [N-]=[N+]=NCC1(CO[N+](=O)[O-])COC1 687749604 FMTYRZJESJFEPE-UHFFFAOYSA-N 188.143 0.522 10 10 ACCE [N-]=[N+]=NCC[C@H](O)CC(=O)C(=O)O 687756400 JUJSJIPSYBEABL-BYPYZUCNSA-N 187.155 0.092 10 10 ACCE C[C@@H](O)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 1885667305 GGHCXROLXXZSIU-RQJHMYQMSA-N 198.226 0.669 10 10 ACCE [N-]=[N+]=NCCNC(=O)CN1CCCC1 1912157027 PUQYOVZVMCXNQI-UHFFFAOYSA-N 197.242 0.509 10 10 ACCE Oc1cc([C@H](O)C2CC2)cc(O)n1 1951668577 XTWZYTBDUAPJAX-SECBINFHSA-N 181.191 0.936 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1CN2CC[C@H]1C2 1955293638 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C[C@]1(c2cc(O)ccc2O)CC(=O)N1 1951871131 XVORSQKCCJUETK-SNVBAGLBSA-N 193.202 0.833 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 1956459987 YMHLRKUIPNLQQG-SJQPAMGKSA-N 196.246 0.942 10 10 ACCE NCc1cc(NC(N)=O)ccc1O 82635125 KOZWFLGEALWLIQ-UHFFFAOYSA-N 181.195 0.342 10 10 ACCE C[C@H](N=[N+]=[N-])[C@@H](O)C(=O)O 196825814 NOISZIHEAAGGPN-STHAYSLISA-N 145.118 0.131 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@@H](C(N)=O)C1 236254680 YCRXQYDKIXRYDB-SSDOTTSWSA-N 197.242 0.494 10 10 ACCE CC[C@H](N=[N+]=[N-])[C@@H](O)CCO 238274309 FNVTWKSQNFAOQI-WDSKDSINSA-N 159.189 0.819 10 10 ACCE CO[C@@H]1OCC[C@@H](N=[N+]=[N-])[C@H]1O 307485755 AVMONFYEEUTMAX-HSUXUTPPSA-N 173.172 0.419 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2NCC[C@@H]2C1 1882909807 KLIMOBICIBCXPW-HTQZYQBOSA-N 181.243 0.590 10 10 ACCE C[C@H]1C[C@]1(N)c1ccc(O)c(O)c1O 1951731239 SMZTZLYAHRYAJO-XUOSJQGZSA-N 195.218 0.997 10 10 ACCE COC(=O)C1CN(CCN=[N+]=[N-])C1 1954204332 SXONKZDLLQRANR-UHFFFAOYSA-N 184.199 0.402 10 10 ACCE C[C@@H]1CNCCN1CCCN=[N+]=[N-] 1954207187 RSKJCYXNGCBCDG-MRVPVSSYSA-N 183.259 0.981 10 10 ACCE C[C@H](C1CNC1)N(C)CCN=[N+]=[N-] 1954207657 ZENHIXHCMSJLBD-SSDOTTSWSA-N 183.259 0.836 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H](C1)C2O 1956502281 UXVQHAOGKWNSHW-JVHMLUBASA-N 196.254 0.999 10 10 ACCE C[C@H](O)C(=O)NCCCN=[N+]=[N-] 1963698596 JSPPETULQREQPD-YFKPBYRVSA-N 172.188 0.184 10 10 ACCE CCNC[C@H](O)c1ccc(O)c(O)c1 2025577 IYLZZNHDXBTZMO-JTQLQIEISA-N 197.234 0.741 10 10 ACCE NC[C@H]1OCc2cc(O)c(O)cc21 29489187 GGNUGQIIDYTDSW-SECBINFHSA-N 181.191 0.628 10 10 ACCE Cc1c(CN)ccc(O)c1O 82407445 MYXHYNMZMRPZGD-UHFFFAOYSA-N 153.181 0.865 10 10 ACCE C[C@H](NCCN=[N+]=[N-])C(=O)O 85223809 ADXFXGCIMPHDBD-BYPYZUCNSA-N 158.161 0.359 10 10 ACCE CNCCNc1ccc(N)cc1 224701572 HGMQPSNKSSOKLJ-UHFFFAOYSA-N 165.240 0.900 10 10 ACCE CN(C)c1cc(O)c(O)cc1CCN 231406587 RVGDBMYGAVPWSE-UHFFFAOYSA-N 196.250 0.665 10 10 ACCE CCO[C@@H](N=[N+]=[N-])C(=O)O 238260040 ZWAVIIMWKCRMSF-GSVOUGTGSA-N 145.118 0.744 10 10 ACCE O=C1C(=O)[C@@H]2CC=CC[C@@H]12 238596938 YFIRGXJRKYOBOK-PHDIDXHHSA-N 136.150 0.721 10 10 ACCE Nc1ccc([C@H]2COCCN2)c(O)c1 238601014 OPFCOSDPMLUKKI-SECBINFHSA-N 194.234 0.635 10 10 ACCE Oc1cccc(CC2CNC2)c1O 1535737488 PHSHUPNNAQKENI-UHFFFAOYSA-N 179.219 0.860 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCNC2=O)C1 1912185343 OMYJKZXVWYANLF-RNFRBKRXSA-N 195.226 0.260 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CC=CCC1 1929114162 ZDQMMUKNUDOHFR-WCBMZHEXSA-N 182.219 0.862 10 10 ACCE CCC(C)(C)[C@@H](O)C(=O)C(C)=O 1929191715 AECKYSSRLMFIBR-QMMMGPOBSA-N 172.224 0.942 10 10 ACCE CO[C@H](CO)c1cc(O)nc(O)c1 1952072237 RCQUMTHZLGTRAF-ZCFIWIBFSA-N 185.179 0.173 10 10 ACCE CO[C@@H]1C[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1OC 1953788753 VYLPQVJPDNUDFL-WNJXEPBRSA-N 187.199 0.460 10 10 ACCE NC(=O)C1(Oc2ccc(N)cc2)CC1 2059120937 AEKCEARGMKKUCB-UHFFFAOYSA-N 192.218 0.666 10 10 ACCE NC[C@H](O)c1ccc(O)c(O)c1F 6091773 FOTRTWXNJQSQJS-LURJTMIESA-N 187.170 0.229 10 10 ACCE in-vivo NCCc1c(F)cc(O)c(O)c1F 32209385 POHULUVQXHPDSG-UHFFFAOYSA-N 189.161 0.877 10 10 ACCE Oc1cccc([C@@H]2CNCCN2)c1O 95691081 MNEZFEUOCWTPDG-QMMMGPOBSA-N 194.234 0.332 10 10 ACCE C[C@H](c1ccc(O)c(O)c1)[C@@H](N)CO 107433177 HGXXBQDNLLKSLP-SVRRBLITSA-N 197.234 0.521 10 10 ACCE [N-]=[N+]=N[C@H]1CCO[C@@H]1CO 168533667 NNFFDSSCEMKCOP-CRCLSJGQSA-N 143.146 0.447 10 10 ACCE [N-]=[N+]=N[C@H]1C=C[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O 196665846 VYVHFQKYMBMIKC-FBXFSONDSA-N 196.170 0.636 10 10 ACCE Nc1ccc(N[C@@H]2CNC[C@@H]2O)cc1 204101604 JKMQABCDHOGQHC-ZJUUUORDSA-N 193.250 0.013 10 10 ACCE COCCOC[C@H](O)CN=[N+]=[N-] 234886053 ZTEIDXVHUFARMQ-ZCFIWIBFSA-N 175.188 0.321 10 10 ACCE [N-]=[N+]=Cc1cccnn1 307398176 SLLBZEUDOTXDCT-UHFFFAOYSA-N 120.115 0.125 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 307535195 QYYNSPGJENPPJY-MOJAZDJTSA-N 198.186 0.860 10 10 ACCE C[C@@H]1CO[C@@H](CN=[N+]=[N-])N1 885231270 PXXSOIJEIGKHID-UHNVWZDZSA-N 142.162 0.631 10 10 ACCE [N-]=[N+]=NCCCOC1CNC1 1880530815 UUOWYSQAFKOZBC-UHFFFAOYSA-N 156.189 0.675 10 10 ACCE CSCC[C@@H](O)C(=O)C(C)=O 1929122638 SNEOTBPXVCORQB-ZCFIWIBFSA-N 176.237 0.259 10 10 ACCE C[C@@H]1C[C@@H](N)CN(CCN=[N+]=[N-])C1 1954206265 DAWKEHIMQVVIBP-HTQZYQBOSA-N 183.259 0.966 10 10 ACCE CN(C)c1ccc(CNCCN)cc1 37712260 KQLTYAQDIBOBOZ-UHFFFAOYSA-N 193.294 0.801 10 10 ACCE NC[C@H](N)c1c(O)cccc1F 72200068 NQYWLZLFERSBBE-LURJTMIESA-N 170.187 0.490 10 10 ACCE COCc1cccc([C@@H](N)CO)c1O 107365286 HFLRSHLLTKJUAY-VIFPVBQESA-N 197.234 0.531 10 10 ACCE N[C@@H](CF)c1ccc(O)c(O)c1O 238574472 HHAYWNWLENIIBA-YFKPBYRVSA-N 187.170 0.773 10 10 ACCE N[C@@H]1COc2ccc(C(=O)O)c(O)c21 238653727 ZEMJAJJVCGTHOT-RXMQYKEDSA-N 195.174 0.483 10 10 ACCE [N-]=[N+]=CC(=O)c1ccc(O)cc1 259748174 NXLPRHHHPAKRAO-UHFFFAOYSA-N 162.148 0.876 10 10 ACCE N[C@@H]1CNC[C@@H]1c1cccc(O)c1O 307176224 UAOXLXBLKPIEIY-HTQZYQBOSA-N 194.234 0.112 10 10 ACCE [N-]=[N+]=NC[C@]12C[C@](C(=O)O)(CO1)C2 1884031259 VWWCSBUDSMRNAT-LJGSYFOKSA-N 183.167 0.931 10 10 ACCE COCCCC[C@H](O)C(=O)C(C)=O 1889609748 MKWGHBXBFWOMTM-QMMMGPOBSA-N 188.223 0.322 10 10 ACCE CO[C@H]1C[C@]2(CO[C@@H](CN=[N+]=[N-])N2)C1 1895847570 HQPYXIVBWXRSHP-BIIVOSGPSA-N 198.226 0.790 10 10 ACCE [N-]=[N+]=N[C@H]1CCN([C@H]2CCOC2=O)C1 1912193201 MPVUGVWMGQGFCD-BQBZGAKWSA-N 196.210 0.687 10 10 ACCE COC(=O)[C@H](C)N1CC(N=[N+]=[N-])C1 1912205555 ATHICZRMYKYESU-YFKPBYRVSA-N 184.199 0.542 10 10 ACCE Nc1ccc(N2C[C@H](F)[C@H](O)C2)cc1 1929873021 VOLRGKGWOKAXFL-VHSXEESVSA-N 196.225 0.788 10 10 ACCE CCC(=O)[C@@H]1CCC(=O)C1=O 1932574131 VOXXLBFNBWYXTG-YFKPBYRVSA-N 154.165 0.514 10 10 ACCE [N-]=[N+]=NCCCN1CC=C[C@H](O)C1 1954828285 LARNPBZFZCZSIK-QMMMGPOBSA-N 182.227 0.920 10 10 ACCE [N-]=[N+]=NC[C@H]1CN2C(=O)C[C@@H]2O1 138520561 BTNALJLMOCPLIL-NJGYIYPDSA-N 168.156 0.254 10 10 ACCE CCC[C@H](N=[N+]=[N-])[C@H](O)C(=O)OC 217752083 OHXSWIONBWOELP-WDSKDSINSA-N 187.199 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@@H]2O[C@@H]2C1 306416314 WGAQJNFUQWHQND-MOJAZDJTSA-N 155.157 0.587 10 10 ACCE C[S@](=O)Nc1ccc(N)cc1 307553068 LAAGJERNSBMUFK-NSHDSACASA-N 170.237 0.974 10 10 ACCE CCN(C)C[C@@H](O)CN=[N+]=[N-] 388049783 WODKMGRSVAXIGD-LURJTMIESA-N 158.205 0.609 10 10 ACCE COc1cccc([C@@H](N)CCN)c1O 396433684 WYOSKINSISDCJG-QMMMGPOBSA-N 196.250 0.749 10 10 ACCE Oc1cccc(CNN2CCC2)c1O 686779146 OSFWNOPAQBMBFV-UHFFFAOYSA-N 194.234 0.808 10 10 ACCE N=[N+]=CC(=O)Oc1ccccc1 725439969 PZEPMIHCRBQJJI-UHFFFAOYSA-N 163.156 0.902 10 10 ACCE [N-]=[N+]=NCC1[C@H]2CNC[C@H]12 885226030 BCBWMVJRTFUSHG-WHFBIAKZSA-N 138.174 0.762 10 10 ACCE Nc1ccc(N2CCN[C@H]3C[C@@H]32)cc1 1888906074 YAOADYWEMJJDDD-QWRGUYRKSA-N 189.262 0.819 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H](C)C1CC1 1930105072 NPFRXGLSKRAKMV-YLWLKBPMSA-N 170.208 0.552 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccncc1F 1935437755 DHFBFZGJGHTKMQ-SECBINFHSA-N 197.165 0.412 10 10 ACCE O=C1CN[C@H](c2ccccc2O)CN1 1951952421 AOUYNFMFHDMANR-QMMMGPOBSA-N 192.218 0.153 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)CCC1=O 1912143959 MLUJENPCEOMHNK-LURJTMIESA-N 184.199 0.280 10 10 ACCE CC(C)(N)/N=N/C(C)(C)N 5357313 PSMAFHYZQLOGMG-MDZDMXLPSA-N 144.222 0.828 10 10 ACCE Nc1ccc(N2C[C@@H](N)CC2=O)cc1 62716708 CSJGKJIBBRWERF-QMMMGPOBSA-N 191.234 0.333 10 10 ACCE Cc1ccc(O)c([C@@H](N)CN)c1 72200012 RMWCSXAJEUAYIZ-QMMMGPOBSA-N 166.224 0.659 10 10 ACCE NC[C@H](N)c1cccc(F)c1O 72200072 BVRYOIHXFRBVSP-ZETCQYMHSA-N 170.187 0.490 10 10 ACCE CO[C@@H](C)C(=O)NCCN=[N+]=[N-] 163927469 INBYLOHYHVOYPI-YFKPBYRVSA-N 172.188 0.448 10 10 ACCE CN[C@H](CO)c1cccc(S)c1O 238308438 BTWCTDDMLALEMQ-SSDOTTSWSA-N 199.275 0.934 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](F)CO[C@@H]1CO 238658278 NCXFLQUTDOAJJF-KVQBGUIXSA-N 175.163 0.785 10 10 ACCE O=C(O)C(=O)c1ccc(O)c(O)c1O 238671182 NHOWAKFFHUHTLN-UHFFFAOYSA-N 198.130 0.071 10 10 ACCE CC(=O)C(=O)CS[C@H](C)CO 388110230 BCQUAVGMZLTYBA-RXMQYKEDSA-N 176.237 0.259 10 10 ACCE CNNCc1ccc2c(c1)CCN2C 704684544 ORBCZANWTCCMND-UHFFFAOYSA-N 191.278 0.903 10 10 ACCE [N-]=[N+]=NC[C@@H]1NC[C@]2(CCCO2)CO1 1890900353 PMOYZEGPOCZQMF-HTQZYQBOSA-N 198.226 0.792 10 10 ACCE COC(=O)[C@@H](C)N1CC(N=[N+]=[N-])C1 1912205554 ATHICZRMYKYESU-RXMQYKEDSA-N 184.199 0.542 10 10 ACCE CSCC[C@H](O)C(=O)C(C)=O 1929122637 SNEOTBPXVCORQB-LURJTMIESA-N 176.237 0.259 10 10 ACCE CNC[C@@H](N)c1ccc(N(C)C)cc1 2241985692 URFDTJKHVDSMGV-LLVKDONJSA-N 193.294 0.972 10 10 ACCE CN(C(=O)CO)c1ccc(N)cc1 37285435 SLCRJADUBQJEOJ-UHFFFAOYSA-N 180.207 0.224 10 10 ACCE N[C@H]1CNc2scc(O)c2[C@H]1O 74280456 FQDIXZIXANYOCX-DZSWIPIPSA-N 186.236 0.240 10 10 ACCE COC(=O)/C=C\O 113969526 FVYNPFNRUNVROH-IHWYPQMZSA-N 102.089 0.231 10 10 ACCE O=C1O[C@H](O)c2ccc(O)c(O)c21 137832345 SFEGYLRAIZKNQP-ZETCQYMHSA-N 182.131 0.259 10 10 ACCE O=C(O)CC(=O)C(=O)c1ccccc1 219333161 RYSLBEBCHDULLY-UHFFFAOYSA-N 192.170 0.913 10 10 ACCE O=C1C(=O)[C@@H]2[C@@H]1C=C[C@@H]1C[C@H]21 307287184 TYDVCYIGTHBVSO-JRTVQGFMSA-N 148.161 0.577 10 10 ACCE C[S@](=O)NCc1ccccc1O 307453514 VIPCJMSJMPUULK-LBPRGKRZSA-N 185.248 0.775 10 10 ACCE Cc1cc(C)c(O)c(CNN)c1 686086133 BGSQDGNWYXDLAQ-UHFFFAOYSA-N 166.224 0.972 10 10 ACCE Nc1ccc(O)c2c1C(=O)C[C@H]2N 713751447 ZDQNQBGMGMAXGF-RXMQYKEDSA-N 178.191 0.561 10 10 ACCE CC(=O)C(=O)COC(=O)c1ccoc1 808498392 QYUSOMSOUZNADH-UHFFFAOYSA-N 196.158 0.595 10 10 ACCE CNC(=O)[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912143156 BHEOGLXTICESKW-RQJHMYQMSA-N 197.242 0.506 10 10 ACCE [N-]=[N+]=N[C@@H]1CN(C2CC2)C[C@@H]1O 1935117875 YKJVYSWYSHRHLG-RQJHMYQMSA-N 168.200 0.504 10 10 ACCE NCC[C@@H](F)c1cc(O)nc(O)c1 1952911881 WNWJTOFTYWMCGO-ZCFIWIBFSA-N 186.186 0.852 10 10 ACCE COC(=O)/C=C/N=[N+]=[N-] 6379516 CZPMUJPNCBTPAA-NSCUHMNNSA-N 127.103 0.983 10 10 ACCE N[C@@H]1COc2cc(C(=O)O)cc(O)c21 104678992 YWOFZKKVBWJVTI-RXMQYKEDSA-N 195.174 0.483 10 10 ACCE [N-]=[N+]=NCC(=O)N1CCOC1=O 104702573 HJQYPHXQSWZDBB-UHFFFAOYSA-N 170.128 0.276 10 10 ACCE O=C(C(=O)C(F)F)C(F)F 139826307 QNRXDQIHPGZCFB-UHFFFAOYSA-N 158.050 0.655 10 10 ACCE O=C1C(=O)[C@@H]2C[C@H]3C[C@@H]2C[C@@H]13 201158174 IEBXBLFYIBAZNA-DBRKOABJSA-N 150.177 0.801 10 10 ACCE COC(=O)/C=C(/N=[N+]=[N-])C(=O)OC 219391225 XYLLQFINOZIPTC-ONEGZZNKSA-N 185.139 0.527 10 10 ACCE COC[C@@H](C)OC[C@@H](O)CN=[N+]=[N-] 234763902 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C[C@@H](C(=O)O)N1CC(N=[N+]=[N-])C1 1912144169 PCWLVHHDPDNAPN-BYPYZUCNSA-N 170.172 0.454 10 10 ACCE [N-]=[N+]=NC1CN(CCn2cccn2)C1 1912171954 QMARCQSRZHCXHL-UHFFFAOYSA-N 192.226 0.878 10 10 ACCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)CO 2209151578 LMILTZHGKVAWLY-WDSKDSINSA-N 184.199 0.326 10 10 ACCE COCC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209519762 MCTWWJPJFURTHV-BQBZGAKWSA-N 198.226 0.980 10 10 ACCE N[C@@]1(C(=O)O)CCc2cccc(O)c21 104678691 CIQUKSYUQKAJLR-JTQLQIEISA-N 193.202 0.577 10 10 ACCE CO[C@H](C)C(=O)NCCCN=[N+]=[N-] 163927822 WFLUOILGKOCKLZ-ZCFIWIBFSA-N 186.215 0.838 10 10 ACCE C[C@H](N)c1cccc(CO)c1O 211586094 GLOYGWUALXSHEF-LURJTMIESA-N 167.208 0.904 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H]1CO 212087929 DCALTIXDNIDIJV-HSUXUTPPSA-N 157.173 0.286 10 10 ACCE C[C@H](CO)[C@@H](O)CN=[N+]=[N-] 213013877 DQHFPMCTRFILIX-UHNVWZDZSA-N 145.162 0.286 10 10 ACCE N#CNC1=CCC(=S)C=C1[N+](=O)[O-] 220572753 DHIMCZJRCKIOGM-UHFFFAOYSA-N 195.203 0.875 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)CCC1=O 238712912 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[N-]=[N+]=NS(=O)(=O)c1cnc[nH]1 69948325 DHFAYTXIKZCIDU-UHFFFAOYSA-N 173.157 0.409 10 10 ACCE CCc1cccc([C@H](N)CO)c1O 72197452 KPSIZLPDFFCEBR-SECBINFHSA-N 181.235 0.947 10 10 ACCE COc1ccc(O)c([C@H](N)CO)c1 72197480 RZWNTZCQLDERCI-MRVPVSSYSA-N 183.207 0.393 10 10 ACCE C[C@H](C/N=N/C[C@@H](C)C(=N)N)C(=N)N 135696903 UROBIWCNNCSPEE-DDNHDYOGSA-N 198.274 0.583 10 10 ACCE CC1=N/C(=C\O)C(=O)O1 139999733 NCFARRLTELOGTR-RQOWECAXSA-N 127.099 0.361 10 10 ACCE [N-]=[N+]=NCS(=O)(=O)O 199295905 BBPURYFQFFFWMF-UHFFFAOYSA-N 137.120 0.142 10 10 ACCE NCCNCCc1ccc(N)cc1 238588453 GMLOHAURRJBPSZ-UHFFFAOYSA-N 179.267 0.360 10 10 ACCE CN(CCCO)CCN=[N+]=[N-] 300846767 RWRRYDFGTCNIJK-UHFFFAOYSA-N 158.205 0.611 10 10 ACCE C[C@@H](NN=N)C1=C=[N+](C)N=N1 885239881 KDVADTPUDDXJEG-SCSAIBSYSA-N 153.169 0.487 10 10 ACCE C[C@H](CN1CC(N=[N+]=[N-])C1)C(N)=O 1912143730 JYDFIZHDDROITG-RXMQYKEDSA-N 183.215 0.102 10 10 ACCE CC(=O)[C@H](O)c1cc(O)c(O)c(O)c1 1951665051 QLZCALACVOZVED-QMMMGPOBSA-N 198.174 0.426 10 10 ACCE 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187.199 0.809 10 10 ACCE O=C1C[C@@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1953760312 BQLYMKLCZOQPOB-IHBLQFBFSA-N 166.176 0.322 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@H](CN)C1 1954206667 KCWKHZXJZKWUFO-MRVPVSSYSA-N 183.259 0.967 10 10 ACCE C[C@H]1COCC(=O)N1CCCN=[N+]=[N-] 1957182273 ZNGRPRCJBHTHLA-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE NC(=O)c1ccc(O)c(O)c1F 2054945377 UCDFHMRPMAHAMT-UHFFFAOYSA-N 171.127 0.336 10 10 ACCE C[C@@H](N)c1cc(CN)ccc1O 104515038 AXNYISWUVDMKJR-ZCFIWIBFSA-N 166.224 0.871 10 10 ACCE COC(=O)[C@H](O)[C@H](C)N=[N+]=[N-] 196825767 DIBXXJHSHVZAHB-IUYQGCFVSA-N 159.145 0.219 10 10 ACCE N[C@@H](CO)c1cc2c(cc1O)OCO2 212166020 NPMUZYZMAQMFIU-LURJTMIESA-N 197.190 0.113 10 10 ACCE Cc1ccc([C@H](N)CCO)c(O)c1O 214020077 WZIWCIFZSJAYLH-MRVPVSSYSA-N 197.234 0.788 10 10 ACCE C[C@H](O)CCN(C)CCN=[N+]=[N-] 219857091 SKMOSKJIJCMQML-ZETCQYMHSA-N 172.232 0.999 10 10 ACCE Oc1ccccc1[C@H]1C[C@@H](O)CN1 257900506 OWAONXUGRNKVFJ-VXNVDRBHSA-N 179.219 0.788 10 10 ACCE NCC[C@H](N)c1ccc(O)c(O)c1 306738914 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ACCE COC[C@H]1CCN(CCN=[N+]=[N-])C1=O 1890778738 HGXBAHKNVYXCTQ-SSDOTTSWSA-N 198.226 0.792 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CNC[C@@H](C2)C1 1957246828 HGAMDFNXVZGHLK-RKDXNWHRSA-N 195.270 0.838 10 10 ACCE Cc1c([C@H](O)CN)ccc(O)c1O 59700092 FGPATGBMBIBGIA-MRVPVSSYSA-N 183.207 0.398 10 10 ACCE C[C@H]1C(=O)NCCN1CCN=[N+]=[N-] 82475699 XRCVSUKXUUTHRM-LURJTMIESA-N 183.215 0.117 10 10 ACCE NC[C@H](C(=O)O)c1ccc(O)c(O)c1 82909841 NAHAKDRSHCXMBT-LURJTMIESA-N 197.190 0.225 10 10 ACCE CC(C)(N)[C@@H](O)c1ccc(O)c(O)c1 85071772 YTSKVZGXNFCQPX-VIFPVBQESA-N 197.234 0.869 10 10 ACCE CC(C)CN[C@H](CN=[N+]=[N-])C(=O)O 85622228 XPHLNNDGAKRAEJ-ZCFIWIBFSA-N 186.215 0.996 10 10 ACCE [N-]=[N+]=NCCSC[C@H](O)CO 86661135 OIAYXUCDYDMSQS-RXMQYKEDSA-N 177.229 0.383 10 10 ACCE CN[C@H](CO)c1ccc(OC)cc1O 104518020 LSDTWAIPSVFXQP-SECBINFHSA-N 197.234 0.654 10 10 ACCE C[C@H](CO)N(C)CCN=[N+]=[N-] 124621767 TYPJXKGGBYJOPS-ZCFIWIBFSA-N 158.205 0.609 10 10 ACCE CC1(C)C(=O)C(=O)C(C)(C)C1=O 196684211 MFTSHETXZMSMLW-UHFFFAOYSA-N 168.192 0.760 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H]2CO[C@@H](O2)[C@@H]1O 238722232 WJROOMSFKKDVTG-KCDKBNATSA-N 171.156 0.171 10 10 ACCE NC[C@@]1(c2ccccc2O)CCN1 258124539 KCGRKHDRYOKGGQ-SNVBAGLBSA-N 178.235 0.540 10 10 ACCE O=C(O)c1cc(CNO)c(O)cc1O 258163091 PRAYOMIDOIIYPG-UHFFFAOYSA-N 199.162 0.275 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](C(N)=O)C[C@H]1O 306560961 SCYNLSVBPMUQTJ-KVQBGUIXSA-N 184.199 0.312 10 10 ACCE [N-]=[N+]=N[C@@H]1CS[C@H](CO)[C@H]1O 306899542 JYGGTGXICLXYOH-WDCZJNDASA-N 175.213 0.134 10 10 ACCE C[C@]1(O)C[C@@H](N=[N+]=[N-])CO[C@H]1CO 306909439 GTDVMYMBJQFJCW-VQVTYTSYSA-N 187.199 0.198 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H](O)C[C@H]1O 687756631 ZNHMIJSNCHKMLG-UOWFLXDJSA-N 143.146 0.181 10 10 ACCE CC1([C@H](CO)N=[N+]=[N-])COC1 1535856716 HVUUVZVPSMNWPU-YFKPBYRVSA-N 157.173 0.694 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1CCCS1 1881199881 LFKRLFBWUBENAZ-XPUUQOCRSA-N 188.248 0.401 10 10 ACCE CC[C@H](C(N)=O)N(CC)CCN=[N+]=[N-] 1887713287 ZMMRCZGGEOKUHP-SSDOTTSWSA-N 199.258 0.883 10 10 ACCE C[C@@]1(c2ccc(O)cc2O)CC(=O)N1 1951853010 DGKNLMIFSKTMMD-JTQLQIEISA-N 193.202 0.833 10 10 ACCE [N-]=[N+]=N[C@@H]1CCCC(=O)[C@H]1O 33836044 INJCXSCGSXKWLL-XINAWCOVSA-N 155.157 0.779 10 10 ACCE COC(=O)[C@H](CN=[N+]=[N-])NC(C)C 85622064 COMDPANXASHSRB-LURJTMIESA-N 186.215 0.836 10 10 ACCE COc1ccc(O)c([C@H](N)C(C)=O)c1 104483856 MKXHDDQAQVJBOE-SNVBAGLBSA-N 195.218 0.990 10 10 ACCE OCCc1ccc(O)c([C@@H]2CCN2)c1 211637726 JXEPAPGILQHJGS-JTQLQIEISA-N 193.246 0.961 10 10 ACCE [N-]=[N+]=NC[C@H]1CC[C@H](C(=O)O)O1 238689577 DEEUKBFVTQMSDV-RFZPGFLSSA-N 171.156 0.929 10 10 ACCE CO[C@H]1C[C@H](N=[N+]=[N-])[C@H](O)[C@H](C)O1 307268632 MCEQCNCTLXUNDM-VWDOSNQTSA-N 187.199 0.808 10 10 ACCE Nc1cc(O)c2c(c1)CC[C@@]2(N)CO 713753541 NBQPKOPUDVHHBT-SNVBAGLBSA-N 194.234 0.067 10 10 ACCE Nc1ccc(N2C[C@@H](O)CO2)cc1 1883134555 SKVBIXCSYGQZLE-SECBINFHSA-N 180.207 0.381 10 10 ACCE CC[C@@H](OC)C(=O)[C@H]1CCC(=O)C1=O 1924095843 YGYCFZOLYFNYAZ-POYBYMJQSA-N 198.218 0.529 10 10 ACCE CN(O)Cc1cc(O)c(O)c(O)c1 1951352539 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83340501 CGUQQDHJLDUPLE-UHFFFAOYSA-N 180.251 0.741 10 10 ACCE N#CNC(=O)c1cccc(O)c1O 163280997 WBDLOKCHNXGXJU-UHFFFAOYSA-N 178.147 0.309 10 10 ACCE CSc1ncc([C@@H](N)CO)s1 213492279 WWBCZIAIORGXKO-BYPYZUCNSA-N 190.293 0.857 10 10 ACCE COC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1O 238328372 NETDMQYNXGKRCP-KVQBGUIXSA-N 185.183 0.609 10 10 ACCE CO[C@@H]1C=C[C@H](N=[N+]=[N-])[C@@H](CO)O1 238384952 BOZSPFVZFOWVFO-XVMARJQXSA-N 185.183 0.585 10 10 ACCE Cc1cccc(O)c1[C@](C)(N)C(=O)O 238537286 FICPAAPLLIYTRG-JTQLQIEISA-N 195.218 0.959 10 10 ACCE Cc1ccc(CON)c(O)c1O 257971416 IIWUUOVOKLKMTI-UHFFFAOYSA-N 169.180 0.797 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H]2CNC[C@H]21 1882914061 FVRLSWAQEZIQOR-JGVFFNPUSA-N 181.243 0.590 10 10 ACCE [N-]=[N+]=NC1(C(=O)O)CCNCC1 1887599087 MXMLRSPMKSCJLP-UHFFFAOYSA-N 170.172 0.504 10 10 ACCE CC[C@H](N)[C@@H]1CCC(=O)C1=O 1932573146 FGVTZRLDWPEKLR-WDSKDSINSA-N 155.197 0.272 10 10 ACCE CO[C@H](CN)c1cc(O)c(O)c(O)c1 1951473924 SQLPQEFWYJWHIK-MRVPVSSYSA-N 199.206 0.450 10 10 ACCE Cc1cc(O)c(O)c(O)c1O 14590470 YTNUOGWCFLMGLF-UHFFFAOYSA-N 156.137 0.817 10 10 ACCE CNC(=O)[C@@H](C)Nc1ccc(N)cc1 42561112 XEIPDTOQODMQFI-SSDOTTSWSA-N 193.250 0.815 10 10 ACCE CN(C)c1ccc(CN)cc1O 95725067 UIPYQFBYIYNWTN-UHFFFAOYSA-N 166.224 0.917 10 10 ACCE CCN[C@@H](C(N)=O)c1ccccc1O 130271838 ZFIQYNRKYWEMOI-SECBINFHSA-N 194.234 0.528 10 10 ACCE CCCOC(=O)/C(=C\O)OC 204934870 OOTNGSPQUBPEDP-AATRIKPKSA-N 160.169 0.985 10 10 ACCE CN(CCO)Cc1ccc(O)c(O)c1 204944063 NXEOTCHQXMHARC-UHFFFAOYSA-N 197.234 0.522 10 10 ACCE CCN(CCN=[N+]=[N-])CC(N)=O 231827685 ITBSNGKJBZGMKS-UHFFFAOYSA-N 171.204 0.104 10 10 ACCE Oc1ccccc1[C@H]1CCNN1 258563950 QVQKOIFSKXWQQM-MRVPVSSYSA-N 164.208 0.931 10 10 ACCE [N-]=[N+]=CC(=O)[C@@H]1CCCOC1 259431863 UCDQXQVMLSBKFT-ZCFIWIBFSA-N 154.169 0.283 10 10 ACCE OC[C@@H](NO)c1ccccc1O 306440400 HXTUEJKLVCCTKZ-SSDOTTSWSA-N 169.180 0.404 10 10 ACCE COC[C@H](O)[C@@H](N)c1ccccc1O 308589110 NSVPCPQMRQFVKJ-UWVGGRQHSA-N 197.234 0.399 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)COC1=O 709014719 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Cc1cc(O)c([C@@H](N)CN)c(O)c1 72200184 HIEGNLQUWLUZPZ-LURJTMIESA-N 182.223 0.365 10 10 ACCE [N-]=[N+]=NCCN[C@@H](C(=O)O)C1CC1 85223627 KNZUJHKLGOMQQK-ZCFIWIBFSA-N 184.199 0.750 10 10 ACCE [N-]=[N+]=CC(=O)[C@@H]1O[C@H]1c1ccccc1 104835240 YYZOAHAMMKMCDV-UWVGGRQHSA-N 188.186 0.996 10 10 ACCE [N-]=[N+]=NC[C@H]1O[C@@](O)(CF)C[C@@H]1O 143053249 WIMYWNXWZPUFGV-KVQBGUIXSA-N 191.162 0.105 10 10 ACCE [N-]=[N+]=NC1C[C@@H](O)C=C[C@H](O)C1 196707604 SDBHPDYXQZXLNB-BQBZGAKWSA-N 169.184 0.737 10 10 ACCE COC[C@@H](N)c1cc(O)ccc1O 238377548 UIIIAUQRZYGZIS-MRVPVSSYSA-N 183.207 0.744 10 10 ACCE COC(=O)[C@H](CF)N=[N+]=[N-] 238799316 FBYAARHTHRQOKE-VKHMYHEASA-N 147.109 0.808 10 10 ACCE OCCc1ccc(F)c(O)c1O 258020205 NZWSBJBFPRXUJX-UHFFFAOYSA-N 172.155 0.772 10 10 ACCE Oc1ccccc1[C@@H]1CCNN1 258563952 QVQKOIFSKXWQQM-QMMMGPOBSA-N 164.208 0.931 10 10 ACCE C[C@@H]1C[C@@H]2C[C@H]1C(=O)C2=O 306886248 PDDGLSPMNBJGIG-HSUXUTPPSA-N 138.166 0.801 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)[C@@H]1CCCCN1 1929217258 LCQKLDSQZHTWKS-WPRPVWTQSA-N 199.250 0.038 10 10 ACCE O=C(O)/C=C/O 100195339 ZJKIBABOSPFBNO-OWOJBTEDSA-N 88.062 0.143 10 10 ACCE in-vitro CN(C)Cc1ccc(CO)cc1O 108369692 LOKQJOPLDAWGFZ-UHFFFAOYSA-N 181.235 0.946 10 10 ACCE O=C1Oc2cc(O)c(O)cc2/C1=C/O 200659328 QZEALURNSZGLCP-HYXAFXHYSA-N 194.142 0.916 10 10 ACCE COC(=O)[C@H]1C[C@H](N=[N+]=[N-])CCN1 238342114 LCIITJYRQYOIJH-PHDIDXHHSA-N 184.199 0.590 10 10 ACCE COc1cccc(O)c1[C@@H](N)[C@@H](C)N 306985328 WHLTZFBPLJLPES-LDWIPMOCSA-N 196.250 0.748 10 10 ACCE CNN[C@H](C)c1c(O)cccc1O 707536477 ZGWOGRGIYYJYLI-ZCFIWIBFSA-N 182.223 0.883 10 10 ACCE CC1=C=S=C(C)[C-]1C(=O)[C@@H](C)N 885436367 JKMLLDNZJSVFPF-ZCFIWIBFSA-N 182.268 0.764 10 10 ACCE [N-]=[N+]=NC[C@@H](N)CC(=O)O 1775955836 JRKNECXMMGNWMM-VKHMYHEASA-N 144.134 0.099 10 10 ACCE [N-]=[N+]=NC[C@]1(F)CNCCOC1 1880878484 HMPOLDGSSBPSHR-ZCFIWIBFSA-N 174.179 0.625 10 10 ACCE CC(=O)N(C)C1CN(CCN=[N+]=[N-])C1 1893765482 BQPVDSVKTNBFFV-UHFFFAOYSA-N 197.242 0.459 10 10 ACCE CO[C@@H]1COC[C@H]1N1CC(N=[N+]=[N-])C1 1912149433 GISXSRFKEJNUON-HTQZYQBOSA-N 198.226 0.395 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)[C@H](F)C1 1912204697 KSWWKEXLQUISHZ-PHDIDXHHSA-N 174.179 0.311 10 10 ACCE CC(=O)C(=O)[C@H](O)c1c(C)n[nH]c1C 1929161876 YGIJPEHLYUPGNL-SECBINFHSA-N 196.206 0.218 10 10 ACCE Nc1ccc(OC[C@@H]2CC(=O)N2)cc1 1929854292 BYWVVDDTVIGAEB-QMMMGPOBSA-N 192.218 0.536 10 10 ACCE CC(=O)C(=O)c1ccnn1C 1951571649 JRPSMJWVEFIINM-UHFFFAOYSA-N 152.153 0.192 10 10 ACCE COC[C@@H](N)Cc1cc(O)nc(O)c1 1952371821 FXSNPSBSKPPCAX-ZETCQYMHSA-N 198.222 0.009 10 10 ACCE C[C@H]1CNCCN1CCCN=[N+]=[N-] 1954207188 RSKJCYXNGCBCDG-QMMMGPOBSA-N 183.259 0.981 10 10 ACCE [N-]=[N+]=NCCN(CC1CC1)C1CNC1 1957248989 HBQNJDONQXFXPU-UHFFFAOYSA-N 195.270 0.981 10 10 ACCE CCOC(=O)c1ccc(N)c(O)c1O 2055142317 XOZQFJWZVIIHHU-UHFFFAOYSA-N 197.190 0.857 10 10 ACCE O=Cc1cc(O)c(O)c(O)c1C=O 6091058 BSOXVRQPIPFIDU-UHFFFAOYSA-N 182.131 0.428 10 10 ACCE C[C@@H](O)N(C)c1ccc(O)c(O)c1 59957763 XIOLXXRYVNUUEO-ZCFIWIBFSA-N 183.207 0.872 10 10 ACCE Oc1cccc(OC[C@H]2CO2)c1O 145874989 UCSYNRDAZVQGSS-ZCFIWIBFSA-N 182.175 0.875 10 10 ACCE OCC1=CCN[C@@H]1c1ccccc1O 205091966 NVTZMDRWPVHIAJ-NSHDSACASA-N 191.230 0.955 10 10 ACCE S=C1C[C@@H]2NC(=S)N[C@@H]2C1 212156656 IBMUERLLGWZHEX-SYDPRGILSA-N 172.278 0.365 10 10 ACCE NCc1c(O)c(F)cc2c1OCCO2 212195491 MFXYYFNAUWZJPQ-UHFFFAOYSA-N 199.181 0.761 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@H](CO)N=[N+]=[N-] 213535083 ZVIPCCOBKAHICH-IUYQGCFVSA-N 172.148 0.329 10 10 ACCE CC(C)CC=C1C(=O)NC(=O)NC1=O 214861655 RSGUVDCKRLIZIQ-UHFFFAOYSA-N 196.206 0.325 10 10 ACCE COC(=O)[C@@]1(O)CCC[C@H]1N=[N+]=[N-] 238399949 FXTOLYQZESZUAY-IYSWYEEDSA-N 185.183 0.753 10 10 ACCE CO[C@]1(C)O[C@H](O)C=C1C 238415538 CHTKEPNAVQILCA-NKWVEPMBSA-N 144.170 0.644 10 10 ACCE CN1C(=O)Cc2c1ccc(O)c2O 257971188 VRDPINKTMCWQLW-UHFFFAOYSA-N 179.175 0.617 10 10 ACCE CO[C@H]1OC[C@@H](N=[N+]=[N-])[C@H]2O[C@@H]12 307459941 AUPBIBKFXPZNCO-KAZBKCHUSA-N 171.156 0.435 10 10 ACCE NCc1cc(CN)c(O)cc1O 642879527 RERRAOYZMGLGJB-UHFFFAOYSA-N 168.196 0.015 10 10 ACCE Oc1ccc(OC2CNC2)c(O)c1O 1535830840 SDVVZMMHHLHNSF-UHFFFAOYSA-N 197.190 0.154 10 10 ACCE CC(=O)C(=O)[C@@]1(O)C=C(C)CC1 1880661371 WVCRABWQVKYBAD-VIFPVBQESA-N 168.192 0.616 10 10 ACCE CN(CCN=[N+]=[N-])C1(CO)CC1 1880983043 VPZMYHIEYDNMKR-UHFFFAOYSA-N 170.216 0.753 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2C[C@@H]2F)C1 1881884780 OUJWEXWWMJYOKW-RITPCOANSA-N 184.174 0.866 10 10 ACCE NCCOCCNc1ccc(N)cc1 1888921201 LBLKKWMNLFRSMA-UHFFFAOYSA-N 195.266 0.656 10 10 ACCE CC[C@](O)(C(=O)C(C)=O)C(F)(F)F 1929136012 BMEAVAGWNAJBHO-LURJTMIESA-N 198.140 0.848 10 10 ACCE [N-]=[N+]=NCCN1CC2(CCN2)C1 1953758233 KHRLXZSYDHSSDC-UHFFFAOYSA-N 167.216 0.344 10 10 ACCE CCOc1cccc([C@H](N)CO)c1O 72197805 FNOLIHCKBMDYCK-MRVPVSSYSA-N 197.234 0.783 10 10 ACCE CC(=O)[C@@H](N)c1ccccc1O 104664122 JKKDZOTVEYQUND-SECBINFHSA-N 165.192 0.981 10 10 ACCE O=C1N[C@H]2c3n[nH]cc3C[C@H]2/C1=C/O 238608796 FOUWENIXVIXAJS-SBAAEUCUSA-N 191.190 0.195 10 10 ACCE C[C@@H](N)[C@@H](N)c1ccccc1O 306729514 DAIAKIWVGGZLEP-HZGVNTEJSA-N 166.224 0.739 10 10 ACCE CCC[S@](=O)NCCN=[N+]=[N-] 385414822 AXPKGSLRXHZQPW-NSHDSACASA-N 176.245 0.960 10 10 ACCE [N-]=[N+]=NC[C@H](NC1CCC1)C(=O)O 712285395 IJKUKZSUWWUXPK-LURJTMIESA-N 184.199 0.892 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H](N)C1 1535646283 UYEMPUZENJWUGR-JPYJGEKTSA-N 112.136 0.786 10 10 ACCE O=C1C[C@H](c2cc(O)c(O)c(O)c2)N1 1951658359 AQSMTEYXMDNFPI-RXMQYKEDSA-N 195.174 0.364 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@]2(CCN2)C1 1954207352 UYPCJZPFYJYWFZ-QMMMGPOBSA-N 181.243 0.735 10 10 ACCE CC(C)CCCOc1nnc(=N)[nH]n1 2209559028 BHILINPIRLFEBU-UHFFFAOYSA-N 197.242 0.494 10 10 ACCE NCCCOc1ccc(N)cc1 33640083 JCNPEXXAAOOIJV-UHFFFAOYSA-N 166.224 0.996 10 10 ACCE CN[C@H](C)Cc1cc(O)c(O)cc1O 96347681 YTALUFDCWBLHNU-ZCFIWIBFSA-N 197.234 0.954 10 10 ACCE C[C@@H](N)c1cc(O)c(O)cc1O 104522594 FFTOJFYINDCLFG-SCSAIBSYSA-N 169.180 0.823 10 10 ACCE CCNC(=O)[C@@H](C)N=[N+]=[N-] 104701751 AQJOVUNPSYKJDJ-SCSAIBSYSA-N 142.162 0.821 10 10 ACCE COc1cc(O)c(C=O)c(O)c1O 238390571 AUZUORIKUYUBPD-UHFFFAOYSA-N 184.147 0.625 10 10 ACCE [N-]=[N+]=NCCN1CCOCCC1=O 307618075 SLAHXKAHCDVHFZ-UHFFFAOYSA-N 184.199 0.546 10 10 ACCE C[C@@H]1CC[C@@]1(NCCN=[N+]=[N-])C(N)=O 308536931 MKULXKIVJWBBHH-SVRRBLITSA-N 197.242 0.540 10 10 ACCE [N-]=[N+]=NCC1=NOC2(CNC2)C1 1881082787 OJESHLWBFZUUSY-UHFFFAOYSA-N 167.172 0.415 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C2COC2)C1 1884428699 KYVPYAOPIYNRKW-SSDOTTSWSA-N 196.210 0.544 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@@H]2OCC[C@@H]2N1 1912173443 MSPYGMLYRWBTME-ACZMJKKPSA-N 168.200 0.816 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2[C@H](CO)[C@@H]2C1 1912178223 KQZDBXVBTBYFNX-YIZRAAEISA-N 196.254 0.857 10 10 ACCE CCN(C)C(=O)c1cc(O)nc(O)c1 1924093887 SPNBIWIYBLLDRN-UHFFFAOYSA-N 196.206 0.585 10 10 ACCE N[C@H](c1cc(O)nc(O)c1)C1(O)CC1 1952860777 YAQMMFHKSDYRRY-MRVPVSSYSA-N 196.206 0.018 10 10 ACCE CN(CCN=[N+]=[N-])C1CNC1 1953340508 FNAVHTSECQREKM-UHFFFAOYSA-N 155.205 0.200 10 10 ACCE [N-]=[N+]=NCCN1CCO[C@@H]2C[C@@H]21 1953696974 YIORWFDDQWYPNE-NKWVEPMBSA-N 168.200 0.770 10 10 ACCE Nc1cc(O)c(O)c(CC(=O)O)c1 2055121834 HPBAQGIWFLIXCE-UHFFFAOYSA-N 183.163 0.307 10 10 ACCE CCN1C(=O)[C@H](N=O)SC1=S 4737183 FEDKTCGNJJOPRO-GSVOUGTGSA-N 190.249 0.959 10 10 ACCE [N-]=[N+]=NCCCNC(=O)c1cc[nH]n1 62779950 PUWYQADNMALYQJ-UHFFFAOYSA-N 194.198 0.840 10 10 ACCE CN(C)/N=N/c1[nH]ncc1C(N)=O 100620475 XVZVNGZABZHDKO-ZHACJKMWSA-N 182.187 0.069 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H]2CC(=O)O[C@H]2[C@@H]1O 165625151 UITPYLSMJQNOFN-VEVTUDRCSA-N 183.167 0.362 10 10 ACCE CO[C@@H]1C=C[C@](OC)([C@@H]2CCCN2)O1 238405725 IJCPQIXAEKCTLR-LPEHRKFASA-N 199.250 0.640 10 10 ACCE COC(=O)[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C1 306894105 JDTDXLGZPXWEEI-KVQBGUIXSA-N 185.183 0.609 10 10 ACCE [N-]=[N+]=NC[C@@H]1OCCC12CNC2 757213691 UOMQIAMWVDROAM-LURJTMIESA-N 168.200 0.675 10 10 ACCE [N-]=[N+]=N[C@H](CO)c1ncc[nH]1 1535789909 YJJRNMKBLUOAOB-SCSAIBSYSA-N 153.145 0.753 10 10 ACCE COc1cc(CC(=N)N)cc(O)c1O 1535809560 SZSQXXFWCCXFCM-UHFFFAOYSA-N 196.206 0.585 10 10 ACCE C[C@H]1CNCCCN1CCN=[N+]=[N-] 1884216357 OVVRAUNBICUFJD-QMMMGPOBSA-N 183.259 0.981 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1CCCC[C@@H]1N 1890812753 ZNZMCVVBMTXYEE-KHQFGBGNSA-N 199.250 0.023 10 10 ACCE C[C@H](O)CCc1cc(O)nc(O)c1 1952219614 NECCVMKJCXJKID-LURJTMIESA-N 183.207 0.806 10 10 ACCE CC1(C)C[C@@H]1COc1nnc(=N)[nH]n1 2209560356 NBOABTWMPYWQOS-RXMQYKEDSA-N 195.226 0.104 10 10 ACCE O=C1Cn2cccc2C1=O 18295504 KQAVHJYCZGRWTR-UHFFFAOYSA-N 135.122 0.254 10 10 ACCE CC(=O)C(=O)C[C@@H](C)C[N+](=O)[O-] 34515284 UPTLDXKMSPMXNO-RXMQYKEDSA-N 173.168 0.447 10 10 ACCE CN(C)c1cccc(CN)c1O 95722813 INYZWPBHAOYODB-UHFFFAOYSA-N 166.224 0.917 10 10 ACCE O=Nc1ccc(O)nc1O 165200955 JDMLZFKVRURCKJ-UHFFFAOYSA-N 140.098 0.891 10 10 ACCE CNCCc1cc(O)c(O)cc1N 169325863 HFIFOIABIQEDJB-UHFFFAOYSA-N 182.223 0.442 10 10 ACCE COC(=O)[C@H](O)[C@@H](F)CN=[N+]=[N-] 196815594 DTRYOKAEEIQFJK-IUYQGCFVSA-N 177.135 0.169 10 10 ACCE CCCCCCN1NC(=O)CC1=O 238240140 BWIMCPDXMDDAMP-UHFFFAOYSA-N 184.239 0.830 10 10 ACCE C[C@@](N)(CCO)c1cccc(O)c1O 238433607 ZEQDZDUYAJIXDO-SNVBAGLBSA-N 197.234 0.654 10 10 ACCE Nc1cccc2c1N[C@H](CO)CC2 238630746 QGBXLXVMYNRPNX-QMMMGPOBSA-N 178.235 0.988 10 10 ACCE O=C1C[C@H](O)[C@@H](c2ccccc2O)N1 257871309 SZPIDOSPYAKDBJ-WCBMZHEXSA-N 193.202 0.314 10 10 ACCE [N-]=[N+]=NCCN1CCN2CC[C@H]1C2 307000046 HJDNYPHFDOPTMP-QMMMGPOBSA-N 181.243 0.687 10 10 ACCE [N-]=[N+]=N[C@@H]1C=C[C@@H]2OCO[C@H]2[C@@H]1O 307628104 SOFBGIMJDJOHIG-XZBKPIIZSA-N 183.167 0.338 10 10 ACCE N[C@@H]1C[C@@H]1c1cccc(O)c1O 1535736736 OMERYJAVPPNXTN-RNFRBKRXSA-N 165.192 0.912 10 10 ACCE C[C@H](CC(N)=O)N1CC[C@@H](N=[N+]=[N-])C1 1912179221 QYCQGUOQAWXPAA-RNFRBKRXSA-N 197.242 0.635 10 10 ACCE NCC[C@@H](O)c1cc(O)c(O)c(O)c1 1951371773 HUEGZVFVWUUSKN-ZCFIWIBFSA-N 199.206 0.186 10 10 ACCE N[C@@H]1CO[C@@H](c2cccc(O)c2O)C1 1952218955 KYMSDCRTSFJMTG-IMTBSYHQSA-N 195.218 0.887 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2CO[C@@H](C[C@H]1O)O2 39074487 CKMSKMZLSPUPIU-KAZBKCHUSA-N 171.156 0.171 10 10 ACCE [N-]=[N+]=NCCNC(=O)c1ccon1 44587996 XCFUVAMPYGLVQZ-UHFFFAOYSA-N 181.155 0.715 10 10 ACCE [N-]=[N+]=CC(=O)C1CCOCC1 84426812 FLTHOINDHXMOCA-UHFFFAOYSA-N 154.169 0.283 10 10 ACCE CNC(=O)Nc1cc(O)c(O)c(O)c1 201470791 SRRFXHPNIAJSGU-UHFFFAOYSA-N 198.178 0.555 10 10 ACCE CNC[C@H](O)COc1ccc(N)cc1 211395659 HTPZDOJSYDALAA-VIFPVBQESA-N 196.250 0.228 10 10 ACCE C[C@H](N)c1cc(N)c(C(=O)O)cc1O 211721207 QUYIGNSHOIDKGR-BYPYZUCNSA-N 196.206 0.692 10 10 ACCE O=C1C(=O)[C@@H]2O[C@@H]2c2ccccc21 217349856 BBYOKQZQRLRUFE-ZJUUUORDSA-N 174.155 0.892 10 10 ACCE CN(Cc1ccccc1O)C(=N)N 1883215665 UZJBFKSGLNTNRF-UHFFFAOYSA-N 179.223 0.717 10 10 ACCE NC[C@H]1C[C@@H]1c1cc(O)c(O)c(O)c1 1952066486 QNWHMYNECUOEMN-RNFRBKRXSA-N 195.218 0.866 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2CNC[C@H]2C1 1957248962 GUDJGMYKBNBUER-BDAKNGLRSA-N 195.270 0.838 10 10 ACCE Oc1ccn(-c2ccc(O)c(O)c2)n1 2069844142 PXCLXIBNJCSEEY-UHFFFAOYSA-N 192.174 0.989 10 10 ACCE CNC(=O)[C@H]1CCCN1CCN=[N+]=[N-] 42396293 ULISNLSDLOFQCM-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE 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0.981 10 10 ACCE O=C1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@@H]12 104927429 LSIXDSZJYMMBDX-RULNZFCNSA-N 162.188 0.967 10 10 ACCE Cn1cnnc1CN=[N+]=[N-] 150223733 PFLYTZNXDVZBIV-UHFFFAOYSA-N 138.134 0.625 10 10 ACCE O=C(O)CCC(=O)C(=O)c1cc[nH]c1 219467018 XHEBQMPMKXUHQJ-UHFFFAOYSA-N 195.174 0.631 10 10 ACCE C[C@@H](N)c1c(O)ccc(O)c1O 238416188 SFLHXIGEXGTCQW-SCSAIBSYSA-N 169.180 0.823 10 10 ACCE [N-]=[N+]=N/C=C\CO 307183217 XKBLBUFJVQZMGI-UPHRSURJSA-N 99.093 0.803 10 10 ACCE COC1CC2(CO[C@H](CN=[N+]=[N-])N2)C1 1895847573 HQPYXIVBWXRSHP-ZUEIMRROSA-N 198.226 0.790 10 10 ACCE O=C1C[C@@H](c2cc(O)nc(O)c2)N1 1952308139 ICXCRNAENPNOLI-YFKPBYRVSA-N 180.163 0.054 10 10 ACCE CN1CCc2cccc(O)c2[C@@H]1CN 74269017 VFVMIVZHJLWFGW-VIFPVBQESA-N 192.262 0.880 10 10 ACCE CO[C@H]1O[C@@H](C)[C@@H]2O[C@@H]2[C@@H]1N=[N+]=[N-] 145056006 GJGHILMYRWBGPB-ZVPSTABDSA-N 185.183 0.824 10 10 ACCE CO[C@@H]1C[C@H](O)[C@H](CN=[N+]=[N-])O1 207084348 NLMMFSMYHJUSMB-ZLUOBGJFSA-N 173.172 0.419 10 10 ACCE C[C@H](N)c1cc(CN)ccc1O 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N[C@H](CO)c1ccc2c(c1O)OCO2 95781477 IDQQWJXTZGKOOU-ZCFIWIBFSA-N 197.190 0.113 10 10 ACCE Oc1ccc([C@H]2CCN2)c(O)c1O 95783997 JFXDYUCOUGYPTI-ZCFIWIBFSA-N 181.191 0.838 10 10 ACCE NC1=N[C@H](c2ccc(O)c(O)c2)CN1 238579819 VYTVISSYSWYLLI-LURJTMIESA-N 193.206 0.057 10 10 ACCE Cc1nc(C(=O)NCCN=[N+]=[N-])no1 701319994 WBJAAVYYMMCHBS-UHFFFAOYSA-N 196.170 0.418 10 10 ACCE O=C1C[C@H](c2cc(O)nc(O)c2)CO1 1952075251 QYQYIBGFPUTRED-LURJTMIESA-N 195.174 0.523 10 10 ACCE NCC[C@H]1C[C@@H]1c1cc(O)nc(O)c1 1952431086 DUBRXYQRNNUCMQ-XPUUQOCRSA-N 194.234 0.945 10 10 ACCE Cc1ccc(O)c([C@@H](N)CC(N)=O)c1 44253038 NAWHOVMRXTZVAX-QMMMGPOBSA-N 194.234 0.576 10 10 ACCE O=C1CNc2cc(O)c(O)cc2N1 82396786 WBLUEWZMPZPDFU-UHFFFAOYSA-N 180.163 0.462 10 10 ACCE COc1cccc(O)c1[C@H](N)[C@H](C)O 95669166 HPIGUXMIWBJLKQ-QUBYGPBYSA-N 197.234 0.781 10 10 ACCE C[C@H](C(N)=O)c1cccc(O)c1O 205163449 GAJZMQFOVZDDPK-YFKPBYRVSA-N 181.191 0.687 10 10 ACCE CC(=O)C(=[N+]=[N-])OP(C)(C)=O 238052885 AYWKPYCKQGMYIB-UHFFFAOYSA-N 176.112 0.758 10 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0.520 10 10 ACCE [N-]=[N+]=NC[C@@H]1OC(=O)[C@H](N=[N+]=[N-])[C@@H]1O 238704461 CWFJHYYBANENOV-PZGQECOJSA-N 198.142 0.262 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2CCN[C@@H]2C1 1887738009 JUWKXQHLPAHQOH-DTWKUNHWSA-N 195.270 0.981 10 10 ACCE [N-]=[N+]=NC1CN(C[C@@H]2[C@@H]3COC[C@@H]32)C1 1887802448 HQIRAKMWRMNBFG-AYMMMOKOSA-N 194.238 0.873 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN([C@H]2COC[C@H]2O)C1 1912207146 KBQRRXINBCENOG-GJMOJQLCSA-N 198.226 0.131 10 10 ACCE CC(=O)[C@H](N)c1cccc(O)c1O 1951964680 VIMKBTLZKFBBAE-QMMMGPOBSA-N 181.191 0.687 10 10 ACCE C=Cn1cc(C(=O)C(C)=O)cn1 1952217652 LAYVVPSLDXQGEB-UHFFFAOYSA-N 164.164 0.755 10 10 ACCE C[C@@H](O)CCc1cc(O)nc(O)c1 1952219616 NECCVMKJCXJKID-ZCFIWIBFSA-N 183.207 0.806 10 10 ACCE Oc1ccc([C@@H]2CNCCN2)cc1O 95690954 KESCBOZVJWFHMP-QMMMGPOBSA-N 194.234 0.332 10 10 ACCE CC(C)(O)[C@H](N=[N+]=[N-])C(=O)O 142397419 KITKWKIXIYCGHQ-GSVOUGTGSA-N 159.145 0.521 10 10 ACCE [N-]=[N+]=N[C@H](CO)[C@@H]1CCC(=O)O1 213535331 UYCJWZBRPMNOLK-UHNVWZDZSA-N 171.156 0.363 10 10 ACCE CN(C#N)CCN=[N+]=[N-] 217449181 VMJFSGXYWWDQAW-UHFFFAOYSA-N 125.135 0.710 10 10 ACCE CN(C)NCc1ccc(O)c(O)c1O 234239605 JGYWZXIACFWXBM-UHFFFAOYSA-N 198.222 0.370 10 10 ACCE [N-]=[NH+]c1nc2ccccc2[nH]1 687725858 ZNAHNFIVDLRQGV-UHFFFAOYSA-N 146.153 0.297 10 10 ACCE CCC1(C(=O)OCC(=O)C(C)=O)CC1 808523772 TWOVWLIGBHPYOE-UHFFFAOYSA-N 198.218 0.878 10 10 ACCE COCC[C@@H](CO)N=[N+]=[N-] 1536203809 ZSROLOGXABSVNR-YFKPBYRVSA-N 145.162 0.694 10 10 ACCE [N-]=[N+]=NC[C@H]1NC[C@]2(CCCO2)CO1 1890900355 PMOYZEGPOCZQMF-JGVFFNPUSA-N 198.226 0.792 10 10 ACCE [N-]=[N+]=NCCNC(=O)c1cnco1 1912189656 XRHJPZUKKCLCMP-UHFFFAOYSA-N 181.155 0.715 10 10 ACCE CC[C@@H]1CC[C@@]1(O)C(=O)C(C)=O 1953539612 UKKYWCUIUVILPX-APPZFPTMSA-N 170.208 0.696 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2NCC[C@@H]2C1 1957251189 YZVFYDGSNYLCKL-BDAKNGLRSA-N 195.270 0.981 10 10 ACCE C[C@H](O)CNCCc1ccc(N)cc1 71428834 IBTNEONUIXNYGY-VIFPVBQESA-N 194.278 0.782 10 10 ACCE CN[C@@H](CO)c1cc(OC)ccc1O 211770123 AUAMZJDPLBOIKO-VIFPVBQESA-N 197.234 0.654 10 10 ACCE Cc1cc(O)c([C@@H](N)C(=O)O)cc1F 220810704 RHDCYEQYJOVFFJ-MRVPVSSYSA-N 199.181 0.924 10 10 ACCE [N-]=[N+]=NC[C@H](O)c1ncc(F)cn1 238682070 UPRLLSQVQFFDFS-YFKPBYRVSA-N 183.146 0.959 10 10 ACCE C[C@]1(c2ccccc2O)C[C@@H](O)CN1 259097171 YPZWDWFXRVSKGV-LDYMZIIASA-N 193.246 0.962 10 10 ACCE CC(=O)O[C@@H]1C=C[C@H](N=[N+]=[N-])[C@@H]2O[C@H]21 307342180 VPKCNIQCBVPDOX-YWIQKCBGSA-N 195.178 0.934 10 10 ACCE C[C@H]1COC[C@H]1C(=O)NCCN=[N+]=[N-] 705268574 PCLBPRFCUGWCQV-NKWVEPMBSA-N 198.226 0.695 10 10 ACCE Nc1ccc(NCC2CNC2)cc1 1883133214 OVTPRRRTMIMHGD-UHFFFAOYSA-N 177.251 0.900 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC(C)(C)[C@H]1C 1889373138 QFNHQYVDIRXAJV-GMSGAONNSA-N 184.235 0.942 10 10 ACCE Cc1ccc(CN2CC(N)C2)c(O)c1 1904107673 HXUWTQRNVSTIQP-UHFFFAOYSA-N 192.262 0.844 10 10 ACCE C[C@H](O)[C@@H](C)N1CC(N=[N+]=[N-])C1 1912202276 DYHCADYFBLILCV-RITPCOANSA-N 170.216 0.750 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccc(C)cn1 1929191107 UVQPGXLXQZKKFJ-JTQLQIEISA-N 193.202 0.582 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(C(C)C)CC1 1929227840 MXANSYBFZIJCMO-VIFPVBQESA-N 184.235 0.942 10 10 ACCE CNC1(Cc2cc(O)nc(O)c2)CC1 1952306392 LNTZJVUNRZJIPV-UHFFFAOYSA-N 194.234 0.787 10 10 ACCE CN(C)c1ccc(OCCNN)cc1 84928816 MEXJDDKFGWBRTG-UHFFFAOYSA-N 195.266 0.595 10 10 ACCE Cc1cc(F)c(O)c([C@@H](N)CO)c1 95706852 RCSLBUQNSOKDBF-QMMMGPOBSA-N 185.198 0.832 10 10 ACCE COc1cc(O)c(CN)c(F)c1 213987575 DLFOIFQUXPKCDY-UHFFFAOYSA-N 171.171 0.999 10 10 ACCE [N-]=[N+]=N[C@H]1COC[C@H]1C(=O)O 238665444 ZFBOBLXVDXFYNT-DMTCNVIQSA-N 157.129 0.396 10 10 ACCE CCN(CC)C[C@@H](O)CN=[N+]=[N-] 379317925 IJEHAGOICFHTID-ZETCQYMHSA-N 172.232 0.999 10 10 ACCE [N-]=[N+]=NC1CCS(=O)(=O)CC1 575454702 RLRYMVVRTHQBLT-UHFFFAOYSA-N 175.213 0.874 10 10 ACCE CN1C[C@H]2CN(CCN=[N+]=[N-])C[C@H]2C1 706242978 MKRGPSAYPCWOLB-DTORHVGOSA-N 195.270 0.790 10 10 ACCE CCN(CCN=[N+]=[N-])C(=O)CCO 1887717699 NHWGGSZWSXQOQF-UHFFFAOYSA-N 186.215 0.528 10 10 ACCE CC(=O)C(=O)[C@H](O)c1cccnc1C 1890060060 CWXZHFKUKGRCIM-SNVBAGLBSA-N 193.202 0.582 10 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[N-]=[N+]=N[C@H]1[C@H](F)[C@H]2OC[C@@H](O2)[C@H]1O 306966013 FIGFTOZSFPNVFY-PHYPRBDBSA-N 189.146 0.119 10 10 ACCE Nc1ccc(N2CCN[C@H]3C[C@H]32)cc1 1888906075 YAOADYWEMJJDDD-WDEREUQCSA-N 189.262 0.819 10 10 ACCE [N-]=[N+]=NCCCNC(=O)C=CC(=O)O 1911898934 OOMBFRGXMKZOOL-UHFFFAOYSA-N 198.182 0.444 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(Cc2nn[nH]n2)C1 1912158197 WKMMHSXVVAGTOK-YFKPBYRVSA-N 194.202 0.084 10 10 ACCE C[C@H](O)CN1CC(N=[N+]=[N-])C1 1912184626 ZSJKQFGLFOGLOD-YFKPBYRVSA-N 156.189 0.362 10 10 ACCE C[C@@H]1CNCCN(CCN=[N+]=[N-])C1 1954206299 DOYUNIFLGCUATQ-MRVPVSSYSA-N 183.259 0.838 10 10 ACCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CC[C@H]1C2 1954320805 AHOYSTAYNLQQFJ-KHQFGBGNSA-N 182.219 0.696 10 10 ACCE CN[C@@H](C(N)=O)c1c(C)cccc1O 1955545589 SLIRQFQJUQXIQJ-SECBINFHSA-N 194.234 0.446 10 10 ACCE CC(=O)C(=O)CC[C@H](C)[N+](=O)[O-] 34515285 IRNQUEDGEUFKAZ-YFKPBYRVSA-N 173.168 0.590 10 10 ACCE C[C@H](NCCN)c1ccc(O)cc1O 37712402 WCMLGODEQXDLDR-ZETCQYMHSA-N 196.250 0.707 10 10 ACCE [N-]=[N+]=NCCNC(=O)c1cn[nH]c1 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JRTYRLLZVMMCLN-UWVGGRQHSA-N 193.246 0.863 10 10 ACCE CC[C@H]1C(=O)NN[C@H]1CN=[N+]=[N-] 714370328 ADIALPFJNAXDSC-UHNVWZDZSA-N 169.188 0.326 10 10 ACCE [N-]=[N+]=NC[C@@]1(F)CNCCOC1 1880878483 HMPOLDGSSBPSHR-LURJTMIESA-N 174.179 0.625 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)c2ncc[nH]2)C1 1895575177 SIUPGLZQDVHWRX-UHFFFAOYSA-N 192.182 0.544 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccccn1 1929119590 KOBKVNHSFFAXDI-VIFPVBQESA-N 179.175 0.273 10 10 ACCE COCCC(=O)[C@H]1CCC(=O)C1=O 1932574026 TXZFCGAXXWFWKQ-ZCFIWIBFSA-N 184.191 0.140 10 10 ACCE Oc1ccc([C@]23CNC[C@@H]2C3)cc1O 1952606161 CDAPVRQRNMEXII-KWQFWETISA-N 191.230 0.959 10 10 ACCE CN[C@@H](c1ccccc1O)[C@@H](C)N 1954778661 FQOMAYCQUVTYJB-GMSGAONNSA-N 180.251 1.000 10 10 ACCE [N-]=[N+]=NCCN1CCC2(CC1)CNC2 1957244244 OFJOVKRXOWDXRF-UHFFFAOYSA-N 195.270 0.982 10 10 ACCE COC(=O)c1ccc(N)c(O)c1O 34449642 CYVUZAIVIHQKKH-UHFFFAOYSA-N 183.163 0.467 10 10 ACCE COc1c(C(=O)O)ccc(O)c1O 35029429 VDZGZXXWWJOUKC-UHFFFAOYSA-N 184.147 0.805 10 10 ACCE [N-]=[N+]=CC(=O)c1cocn1 40546540 YEHNMDHCRKWXJS-UHFFFAOYSA-N 137.098 0.158 10 10 ACCE Cc1ccc(C(=O)C(=O)C(=O)O)cc1 77276652 VVKKKURZYVKFTA-UHFFFAOYSA-N 192.170 0.831 10 10 ACCE [N-]=[N+]=NC[C@H](CO)OCF 144005850 OMCIGCDFEPXYRP-SCSAIBSYSA-N 149.125 0.601 10 10 ACCE CN(CCN=[N+]=[N-])C1CC(C(N)=O)C1 703500511 WBOWMCYXKJYKBW-UHFFFAOYSA-N 197.242 0.492 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2[C@@H](CO)[C@@H]2C1 1912178221 KQZDBXVBTBYFNX-DJLDLDEBSA-N 196.254 0.857 10 10 ACCE Nc1ccc([N+](=O)[O-])c(O)c1O 2055141280 AHAXQHVMYJKNCT-UHFFFAOYSA-N 170.124 0.588 10 10 ACCE N[C@H](CO)c1ccc(F)cc1O 72197354 IJPXZLSYUCMUFT-SSDOTTSWSA-N 171.171 0.523 10 10 ACCE N[C@H](CO)c1ccc(C(=O)O)cc1O 72197791 NCKJSXYZTDXWIP-SSDOTTSWSA-N 197.190 0.083 10 10 ACCE [N-]=[N+]=NC1C[C@H](O)C=C[C@@H](O)C1 196707620 SDBHPDYXQZXLNB-RNFRBKRXSA-N 169.184 0.737 10 10 ACCE CCOc1cccc(O)c1[C@@H](N)CO 214019323 CUVIEXHMEBLBMG-ZETCQYMHSA-N 197.234 0.783 10 10 ACCE CN[C@H](CO)c1c(O)cccc1O 238357956 IEUJVFZUDYVDQI-ZCFIWIBFSA-N 183.207 0.351 10 10 ACCE C[C@](N)(CCO)c1cccc(O)c1O 238502743 ZEQDZDUYAJIXDO-JTQLQIEISA-N 197.234 0.654 10 10 ACCE N[C@H](CO)c1c(F)ccc(O)c1O 258196626 YAKHSRGDLVQOFV-RXMQYKEDSA-N 187.170 0.229 10 10 ACCE CN(C[C@@H](O)CN)c1ccc(N)cc1 1888921046 FQRYPELLAVQJMW-JTQLQIEISA-N 195.266 0.025 10 10 ACCE CC(=O)C(=O)c1cnco1 1951651663 QSQWINBJELQNOV-UHFFFAOYSA-N 139.110 0.446 10 10 ACCE CN(CCCN=[N+]=[N-])C1[C@@H]2CNC[C@@H]12 1957243991 KSLULTQCIOKOKI-HTQZYQBOSA-N 195.270 0.836 10 10 ACCE COc1ccc(N2CC(O)C2)cc1 2209203354 KBTUEAVCTPKPDU-UHFFFAOYSA-N 179.219 0.876 10 10 ACCE CCC[C@@H](O)[C@H](CO)N=[N+]=[N-] 38415904 RSKODESSLMYMNV-NTSWFWBYSA-N 159.189 0.819 10 10 ACCE CCN[C@H](CN=[N+]=[N-])C(=O)O 85622050 UDXBKCBTENSELE-SCSAIBSYSA-N 158.161 0.359 10 10 ACCE NCC[C@H](N)c1ccccc1O 306566056 FVRUENVUZRMLKN-QMMMGPOBSA-N 166.224 0.741 10 10 ACCE CN(C)Cc1cc(NN)ccc1O 1535712645 VBMRUWUXHWHBFX-UHFFFAOYSA-N 181.239 0.739 10 10 ACCE CCc1cnc([C@H](O)C(=O)C(C)=O)[nH]1 1929203434 VHXKCGXWSNLIGT-MRVPVSSYSA-N 196.206 0.164 10 10 ACCE CC1(C)[C@H](c2cc(O)nc(O)c2)[C@H]1N 1952775574 PMZQAZNCHXIZHV-RKDXNWHRSA-N 194.234 0.944 10 10 ACCE COC(=O)/C=C/[C@H](N=[N+]=[N-])[C@H](C)O 238346383 ZARXIHQYGFCSQL-WFYOFFIASA-N 185.183 0.775 10 10 ACCE Nc1ccc(N2NCCCC2=O)cc1 257905364 ZKCOGUIWGWCNIK-UHFFFAOYSA-N 191.234 0.900 10 10 ACCE COC(=O)[C@@H]1CCC[C@@H](N=[N+]=[N-])[C@H]1O 307635908 SUKQGGHQVBVYGZ-QYNIQEEDSA-N 199.210 0.999 10 10 ACCE Cc1cccc([C@H](N)[C@@H](O)CO)c1O 713730296 FNKUBNGPPHTEGS-IUCAKERBSA-N 197.234 0.054 10 10 ACCE CC[N+]1=C=C(CNN=N)C(C)=N1 885277725 TULPZXQQEBNILN-UHFFFAOYSA-N 166.208 0.540 10 10 ACCE COC(=O)C(Cl)=CO 1911537112 BHYLEVRLMDNRON-UHFFFAOYSA-N 136.534 0.798 10 10 ACCE COC(=O)C=CN=[N+]=[N-] 1912015497 CZPMUJPNCBTPAA-UHFFFAOYSA-N 127.103 0.983 10 10 ACCE CC(=O)C(=O)[C@](C)(O)[C@@H]1C[C@@H]1C 1929230083 FGZFWLFVCZIGEA-MTQIGAJGSA-N 170.208 0.552 10 10 ACCE O=C(O)c1c([N+](=O)[O-])ccc(O)c1O 39240411 CMSBYHGXYVOBAA-UHFFFAOYSA-N 199.118 0.704 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C[C@H]1O 216273580 LTERTUYKFMDNRX-JGWLITMVSA-N 198.186 0.860 10 10 ACCE CNC[C@H](O)c1cc(O)c(O)c(O)c1 238314777 JKVKJHOYZCSIOK-QMMMGPOBSA-N 199.206 0.056 10 10 ACCE C[C@H]1C[C@H](N=[N+]=[N-])NC(=S)N1 238442304 WQIRZDILQDECHG-IMJSIDKUSA-N 171.229 0.879 10 10 ACCE C[C@@H](Nc1ccc(N)cc1)[C@H](O)CO 698996441 UGIICLDRWFQECM-GMSGAONNSA-N 196.250 0.422 10 10 ACCE CC[C@](N)(CO)c1ccccc1O 714092688 BWAIEKVAXJDXQK-JTQLQIEISA-N 181.235 0.949 10 10 ACCE NC1(c2cccc(O)c2O)CC(O)C1 1535730901 GLHDLEOAFURITO-UHFFFAOYSA-N 195.218 0.407 10 10 ACCE O=C(O)[C@@H]1C[C@@H]1c1cc(O)nc(O)c1 1952059597 MTQGOJACLXPLAW-PHDIDXHHSA-N 195.174 0.681 10 10 ACCE CCC(C)(C)COc1nnc(=N)[nH]n1 2209555366 CQKHYYLDLQVLIN-UHFFFAOYSA-N 197.242 0.494 10 10 ACCE CNC(=O)/C=C/c1ccc(O)c(O)c1 26284147 BRWJVYQGQPRRCV-HWKANZROSA-N 193.202 0.857 10 10 ACCE COc1cc(O)c2c(c1)OC[C@H]2N 238372767 XQLCFPQYVRPSMN-ZCFIWIBFSA-N 181.191 0.793 10 10 ACCE CN[C@H](C)Cc1ccn(C)c(=O)c1 257959390 XGVOWHIGUPVBEP-MRVPVSSYSA-N 180.251 0.536 10 10 ACCE [N-]=[N+]=CC(=O)[C@H]1CCCSC1 259848518 WDVYFPONYRETJC-LURJTMIESA-N 170.237 0.999 10 10 ACCE CN(CCN=[N+]=[N-])CCC1CNC1 1881800799 KXTOPEITJHNIJH-UHFFFAOYSA-N 183.259 0.838 10 10 ACCE C[C@@H](O)C(=O)N(C)CCCN=[N+]=[N-] 1882336419 NWNKIAPWUHSKHR-ZCFIWIBFSA-N 186.215 0.526 10 10 ACCE N[C@@H]1C[C@@H]1Cc1cccc(O)c1O 1952134335 DTTFWXHNIGYGSP-JGVFFNPUSA-N 179.219 0.988 10 10 ACCE CN(C)CC(=O)c1cc[n+](C)cc1 238290431 DTSVCFDQCMHBHJ-UHFFFAOYSA-N 179.243 0.255 10 10 ACCE CCO[C@@H]1C=C[C@@H](N=[N+]=[N-])[C@H](CO)O1 379340649 RXAMNYBZXJIBJO-CSMHCCOUSA-N 199.210 0.975 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC(=O)O1 698026660 FCRUWWKRPRJICN-VKHMYHEASA-N 127.103 0.612 10 10 ACCE N[C@@H]1COc2ccc(F)c(O)c21 713759613 JBRUNOZHYRMLGB-RXMQYKEDSA-N 169.155 0.924 10 10 ACCE CC(=O)C(=O)COC(=O)/C=C\C1CC1 808522943 AWPNFLGSYFLLFB-PLNGDYQASA-N 196.202 0.654 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]1C1CC1 1883172848 YRFWDEJJYHWDBB-PSASIEDQSA-N 182.219 0.696 10 10 ACCE CN(C)CCN1CC[C@H](N=[N+]=[N-])C1 1912167265 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Cn1cc(Nc2ccc(N)cn2)nn1 701918283 QAOBGBGEKKRMTO-UHFFFAOYSA-N 190.210 0.536 10 10 ACCE O=C1CC[C@@H](F)C1=O 1932582081 PGCSWVBNZASAAH-GSVOUGTGSA-N 116.091 0.257 10 10 ACCE O=C1OCC[C@H]1c1cc(O)nc(O)c1 1952373524 FYPCWMJVGYBDLD-LURJTMIESA-N 195.174 0.523 10 10 ACCE C[C@H](N)[C@@](C)(O)c1ccc(O)c(O)c1 74240291 YJIUIEBEYUHYKL-QUBYGPBYSA-N 197.234 0.653 10 10 ACCE COC[C@H](N=[N+]=[N-])[C@@H](O)COC 238380648 SITYOIOFJHCJSU-WDSKDSINSA-N 175.188 0.319 10 10 ACCE CO[C@@H]1OC[C@H](N=[N+]=[N-])[C@H]2O[C@H]12 255963277 AUPBIBKFXPZNCO-BGPJRJDNSA-N 171.156 0.435 10 10 ACCE C[C@H]1[C@@H](CO)[C@@H](O)C[C@H]1N=[N+]=[N-] 306196508 KLJMWLYDSAOCCX-WNJXEPBRSA-N 171.200 0.675 10 10 ACCE C[C@@H](O)C1CN(CCN=[N+]=[N-])C1 719776741 QNEDTFUBHCDPPC-ZCFIWIBFSA-N 170.216 0.609 10 10 ACCE [N-]=[N+]=NC[C@H]1C[C@@H](CO)CO1 1934442826 WOWJOQKINWIHIC-NTSWFWBYSA-N 157.173 0.694 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 1954077719 HZFAFPDPXDXCQT-CHIQAWFVSA-N 182.219 0.552 10 10 ACCE CCc1cc(O)c(O)c(C(N)=O)c1 2060112369 MAARZGRWVVZYQZ-UHFFFAOYSA-N 181.191 0.759 10 10 ACCE [N-]=[N+]=NC=C=O 34102145 LBHATBBOPIGUKB-UHFFFAOYSA-N 83.050 0.642 10 10 ACCE CCNC(=O)CN(C)CCN=[N+]=[N-] 49728277 ZORSERGKQPFECU-UHFFFAOYSA-N 185.231 0.365 10 10 ACCE NC[C@H](O)Cc1ccc(N)cc1 76165626 CYLNZCHNMMYBKS-SECBINFHSA-N 166.224 0.131 10 10 ACCE CC(C)(N)[C@H](O)c1ccc(O)c(O)c1 85071770 YTSKVZGXNFCQPX-SECBINFHSA-N 197.234 0.869 10 10 ACCE CCN1C(=O)N=C(N)[C@H]1CN=[N+]=[N-] 87009635 NCZVNDSQUYAPCZ-SCSAIBSYSA-N 182.187 0.478 10 10 ACCE [N-]=[N+]=NCCC[C@H](O)CO 145044236 NMNPDGWREYAMNE-YFKPBYRVSA-N 145.162 0.430 10 10 ACCE N=C(N)c1cc(O)c(O)cc1O 167800043 QJQRFRYRPAGESO-UHFFFAOYSA-N 168.152 0.087 10 10 ACCE CC(=O)O[C@H](CCN=[N+]=[N-])C(N)=O 238085386 KETNHWUGFFQPHE-RXMQYKEDSA-N 186.171 0.104 10 10 ACCE CCNC(=O)[C@@H](N)[C@@H](C)N=[N+]=[N-] 238250161 AKVVARQVEBAGQZ-UHNVWZDZSA-N 171.204 0.149 10 10 ACCE COC[C@H](N)c1c(O)cccc1O 238357305 NSPUPIPBIGTSNZ-LURJTMIESA-N 183.207 0.744 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H]2OC[C@@H](O2)[C@@H]1O 238722052 APMDJUZTSVOTDG-SLPGGIOYSA-N 171.156 0.171 10 10 ACCE CO[C@@H]1OC[C@H](N=[N+]=[N-])[C@@H]2O[C@H]21 255963279 AUPBIBKFXPZNCO-UNTFVMJOSA-N 171.156 0.435 10 10 ACCE [N-]=[N+]=NC[C@@H]1OC(=O)[C@H](N=[N+]=[N-])[C@H]1O 306628727 CWFJHYYBANENOV-NUNKFHFFSA-N 198.142 0.262 10 10 ACCE CO[P@](=O)(O)C(=[N+]=N)C(C)=O 575332753 RLEMWZNQHKCLRL-UHFFFAOYSA-O 179.092 0.045 10 10 ACCE C[C@@](O)(CO)[C@@H](N)c1ccccc1O 713750390 VKTBBWXZTOJPJK-VHSXEESVSA-N 197.234 0.135 10 10 ACCE Cc1ccc(O)c([C@H](N)[C@@H](O)CO)c1 713801684 VTMFESLFZYAKMY-UWVGGRQHSA-N 197.234 0.054 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@H]2CCO[C@H]21 1884445118 HSKBANNAFHYMLL-FSDSQADBSA-N 196.210 0.448 10 10 ACCE [N-]=[N+]=NCCN1CC2(CNC(=O)C2)C1 1884817297 HJKHBIYQOWOLCL-UHFFFAOYSA-N 195.226 0.119 10 10 ACCE COC(C)(C)C[C@H](O)C(=O)C(C)=O 1929203880 ZDJXOZHQAPAKLV-ZETCQYMHSA-N 188.223 0.321 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C[C@@H]1CCCN1 1929235493 YVEKWAJTKBGCTJ-WCBMZHEXSA-N 199.250 0.038 10 10 ACCE O=C(O)[C@H]1C[C@H]1c1cc(O)nc(O)c1 1952059599 MTQGOJACLXPLAW-WDSKDSINSA-N 195.174 0.681 10 10 ACCE CC[C@H](N)CN(C)CCN=[N+]=[N-] 1953751736 NYYMQCGJGOWBSF-ZETCQYMHSA-N 171.248 0.966 10 10 ACCE CN(CCN=[N+]=[N-])[C@@H]1[C@@H]2CNC[C@@H]21 1954208002 GCYGTWMXNOLJEW-RNLVFQAGSA-N 181.243 0.446 10 10 ACCE Oc1ccc(N2CCNCC2)cc1O 82894323 HINNJCVZQJDZMT-UHFFFAOYSA-N 194.234 0.507 10 10 ACCE N[C@@H](CO)CSc1nccs1 82906866 ZHMNSYITXCEMBK-YFKPBYRVSA-N 190.293 0.555 10 10 ACCE COCc1cccc(O)c1[C@H](N)CO 107365293 KHHZXZONVDPBQM-MRVPVSSYSA-N 197.234 0.531 10 10 ACCE C[C@H](CO)N(C)CCCN=[N+]=[N-] 124621337 QZOZPAUGXSMJHN-SSDOTTSWSA-N 172.232 0.999 10 10 ACCE NC(=S)NNCc1ccc(N)cc1 238574478 APTACNCXWJEUTO-UHFFFAOYSA-N 196.279 0.107 10 10 ACCE [N-]=[N+]=NC[C@H](O)[C@H]1CCC(=O)O1 238681737 ZLJGVKSWKYTPGB-CRCLSJGQSA-N 171.156 0.363 10 10 ACCE O=C1C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 257157386 RFKYFDOSOGLBRF-AXMZGBSTSA-N 148.161 0.577 10 10 ACCE COC[C@@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 1888127775 ATIJLTIHRCNTOL-BQBZGAKWSA-N 198.226 0.695 10 10 ACCE [N-]=[N+]=NCCCN1CC(CO)C1 1912162539 XGLJKXGMKCRYPM-UHFFFAOYSA-N 170.216 0.611 10 10 ACCE CC[C@@H](C(N)=O)N1CC(N=[N+]=[N-])C1 1912173004 YKJWCGNJIRMJQI-LURJTMIESA-N 183.215 0.245 10 10 ACCE CC(=O)C(=O)c1ccc(O)c(O)c1O 1951602598 QQNFDZQQRCRKPI-UHFFFAOYSA-N 196.158 0.575 10 10 ACCE COc1cccc(O)c1[C@@H]1CC(=O)N1 1951651518 QJCFSRDENCXNBX-LURJTMIESA-N 193.202 0.962 10 10 ACCE CC1(C)CC(=O)C(=O)C(C)(C)N1 5171174 SGYYNHNPUTVBEZ-UHFFFAOYSA-N 169.224 0.675 10 10 ACCE COC(=O)[C@@]1(N=[N+]=[N-])CCC[C@H]1O 238397775 OGZXXAIFRLNOFQ-IYSWYEEDSA-N 185.183 0.753 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](C1)[C@H]2O 2241834107 VCFUZCJBMWASFW-AYMMMOKOSA-N 196.254 0.999 10 10 ACCE Oc1ccc2c(c1O)CCNC2 38582891 AWULYLRHDWRMNB-UHFFFAOYSA-N 165.192 0.744 10 10 ACCE N[C@H]1COc2c1ccc(O)c2O 104664780 OGWZMGRUKLWZOY-YFKPBYRVSA-N 167.164 0.490 10 10 ACCE N[C@H](CO)c1cc2c(cc1O)CCC2 108303029 BEGWIZGSCIEKJQ-SNVBAGLBSA-N 193.246 0.873 10 10 ACCE OCc1cc(O)cs1 145125481 LOUVUTBXDHCVQS-UHFFFAOYSA-N 130.168 0.946 10 10 ACCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CO1 238704591 BTDADGYVWBVUIB-IMJSIDKUSA-N 129.119 0.056 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)C[C@H]1O 307060741 KIDKXTYYWAOMDY-JGWLITMVSA-N 198.186 0.860 10 10 ACCE C[C@@H]1CC[C@]1(NCCN=[N+]=[N-])C(N)=O 308536926 MKULXKIVJWBBHH-HTRCEHHLSA-N 197.242 0.540 10 10 ACCE C/C(=C/C(=O)O)N=NC(N)=O 379037095 BUJQLUTXGLGCNP-RHGRMJLBSA-N 157.129 0.506 10 10 ACCE CC[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1O 399859648 LHCOWNJJVOTDKJ-HTQZYQBOSA-N 184.243 0.999 10 10 ACCE COC(=O)CN1CC(N=[N+]=[N-])C1 1912185979 YINWCMCBYPHYKQ-UHFFFAOYSA-N 170.172 0.154 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C1(C)CC1 1929124238 LGWNZYAVOMWIAI-VIFPVBQESA-N 170.208 0.696 10 10 ACCE Cn1cc([C@@H](CN)N=[N+]=[N-])cn1 1953712517 GFAUDIDQYZHLFO-ZCFIWIBFSA-N 166.188 0.730 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](N)C[C@@H](O)C1 1957243849 IMZLDTMOFHZQIZ-HTQZYQBOSA-N 199.258 0.081 10 10 ACCE [N-]=[N+]=NC[C@@H](F)C1CNC1 2080979803 UBLZADJWKBNNBA-RXMQYKEDSA-N 144.153 0.854 10 10 ACCE C[C@@H](CO)C(=O)Nc1ccc(N)cc1 2241245117 IORUSDYWSCIQBW-ZETCQYMHSA-N 194.234 0.836 10 10 ACCE Cc1cc(O)c(O)c(O)c1C=O 22013339 ZMSAWAUFJICHDE-UHFFFAOYSA-N 168.148 0.924 10 10 ACCE Oc1ccc(O)c(O)c1O 32187780 VERMEZLHWFHDLK-UHFFFAOYSA-N 142.110 0.509 10 10 ACCE Cc1c([C@@H](O)CN)ccc(O)c1O 59700093 FGPATGBMBIBGIA-QMMMGPOBSA-N 183.207 0.398 10 10 ACCE COc1cc([C@H](N)CN)cc(O)c1O 72200535 XHTOCOQDLKQIQX-ZCFIWIBFSA-N 198.222 0.065 10 10 ACCE CC[C@H](N)c1cc(C(N)=O)ccc1O 211740490 ORQPDCWQQBEPLL-QMMMGPOBSA-N 194.234 0.901 10 10 ACCE NC[C@H]1CNCc2c(O)cccc21 213472958 IOVBNUHXEIDCJV-ZETCQYMHSA-N 178.235 0.538 10 10 ACCE CC(C)(C)OC(=O)/C(=C/O)NC=O 215573481 PQXIKTREJXHIRR-XQRVVYSFSA-N 187.195 0.474 10 10 ACCE CCc1cc(O)c(O)c([C@@H](N)CN)c1 238335526 VJODWQZDVLBBOI-QMMMGPOBSA-N 196.250 0.619 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@@H]2CC(=O)N[C@@H]21 238647152 PYEKCPKODYJSNC-XAHCXIQSSA-N 166.184 0.964 10 10 ACCE Nc1ccc2c(c1O)[C@@H](N)CO2 238647159 CFFMLPIJVCSGMT-YFKPBYRVSA-N 166.180 0.367 10 10 ACCE CCCC[C@@H](O)[C@@H](O)C(=O)C(C)=O 238794279 FQADDFWWZCETNJ-VXNVDRBHSA-N 188.223 0.057 10 10 ACCE C[C@@H](N)[C@H](N)c1c(O)cc(O)cc1O 306900680 FNRUTAVDDABQNC-MOFOKWOHSA-N 198.222 0.150 10 10 ACCE C[S@](=O)NCCCCN=[N+]=[N-] 395074849 FSLDQKTURXEISB-NSHDSACASA-N 176.245 0.960 10 10 ACCE [N-]=[N+]=NC[C@H]1NCCc2nc[nH]c21 575457568 MQDPWNLKBUOYLJ-ZCFIWIBFSA-N 178.199 0.907 10 10 ACCE [N-]=[N+]=NC/C=C/[C@@H](O)[C@H](O)/C=C\CO 687749625 VIXVJGSBVDIGJV-RURAFQBMSA-N 199.210 0.123 10 10 ACCE C[C@H](CON)c1ccc(O)c(O)c1O 1535836418 SKXWIVRDBRSFSB-RXMQYKEDSA-N 199.206 0.797 10 10 ACCE [N-]=[N+]=N[C@H](CO)c1cn[nH]c1 1535843929 CTWAFUUDHZBOEC-RXMQYKEDSA-N 153.145 0.753 10 10 ACCE [N-]=[N+]=NCCCNC(=O)C1COC1 1881726475 HHMHBAMTHAVBHU-UHFFFAOYSA-N 184.199 0.449 10 10 ACCE [N-]=[N+]=NC1CN(C[C@H]2CNC(=O)O2)C1 1912172200 RVFLBLOFJIZOGW-ZCFIWIBFSA-N 197.198 0.089 10 10 ACCE COC[C@@H](N)Cc1cccc(O)c1O 1951724802 PFWCROLSVBEAFS-QMMMGPOBSA-N 197.234 0.614 10 10 ACCE N[C@@H]1C[C@H]1Cc1cc(O)c(O)c(O)c1 1952157658 NVHUXPSSCFKBDZ-RNFRBKRXSA-N 195.218 0.693 10 10 ACCE Oc1cc2c(cc1O)[C@H](O)CNC2 33506618 RNIMUEXSLJYHIE-SECBINFHSA-N 181.191 0.234 10 10 ACCE in-man N[C@@H](CCO)c1ccc(O)cc1O 44232675 SUJHLFKFJCAZNE-QMMMGPOBSA-N 183.207 0.480 10 10 ACCE COC(=O)Cc1ccc(O)c(O)c1O 82726983 PJNLKIFGAJRDJC-UHFFFAOYSA-N 198.174 0.519 10 10 ACCE Oc1ccc(F)cc1[C@H]1CNCCN1 95691829 RMWAMQNZUWRDDV-SECBINFHSA-N 196.225 0.765 10 10 ACCE C[C@H](N=[N+]=[N-])C(=O)NC1CC1 104701760 QZXVTUHBTKGXEN-BYPYZUCNSA-N 154.173 0.964 10 10 ACCE CCC[C@H]1C(=O)CC(=O)C1=O 223343916 RVNNSUDYMDTKEG-YFKPBYRVSA-N 154.165 0.514 10 10 ACCE C[C@@H]1O[C@H](O)C[C@@H](N=[N+]=[N-])[C@@H]1O 238421944 BBVVQQKDDOWDEI-BGPJRJDNSA-N 173.172 0.153 10 10 ACCE C[C@@H](O)[C@H](N)c1c(O)cccc1CO 238451893 XAVKBHRVRHAJQP-LDWIPMOCSA-N 197.234 0.265 10 10 ACCE C[C@@H](C(=O)N(C)C)[C@@H](N)CN=[N+]=[N-] 238477441 FZOOOERBNBEZAD-RITPCOANSA-N 185.231 0.348 10 10 ACCE C[C@H](N)c1c(O)ccc(O)c1O 238804841 SFLHXIGEXGTCQW-BYPYZUCNSA-N 169.180 0.823 10 10 ACCE C[C@@H](Nc1ccccc1N)[C@H](O)CO 698994959 PPWZCHJCYGFQQA-GMSGAONNSA-N 196.250 0.422 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C[C@@H]1CCCN1 1929235494 YVEKWAJTKBGCTJ-WPRPVWTQSA-N 199.250 0.038 10 10 ACCE O=[N+]([O-])c1cccc(CNO)c1O 1951357241 DTULNBJTVSNHMM-UHFFFAOYSA-N 184.151 0.779 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](O)CO1 1953644640 VZHOHSQTIRXCCA-LURJTMIESA-N 172.188 0.295 10 10 ACCE COCCNC(=O)N1CC(N=[N+]=[N-])C1 1957017322 GUMTZPNOVSBSOC-UHFFFAOYSA-N 199.214 0.337 10 10 ACCE [N-]=[N+]=NC[C@H](O)[C@H](O)CN=[N+]=[N-] 34567373 PDHWCVRAWIIKPC-ZXZARUISSA-N 172.148 0.329 10 10 ACCE [N-]=[N+]=CS(=O)(=O)c1ccccc1 78495265 JBFGRWKRPPOLEA-UHFFFAOYSA-N 182.204 0.718 10 10 ACCE CCCN1C(=O)N=C(N)[C@H]1CN=[N+]=[N-] 87008172 PEUHQUSIOSMUCK-RXMQYKEDSA-N 196.214 0.868 10 10 ACCE C[C@@](N)(CCO)c1ccccc1O 95748048 UKOFWAKWYMLCGQ-SNVBAGLBSA-N 181.235 0.949 10 10 ACCE C[C@](N)(CCO)c1c(O)cccc1O 95757950 IYZKTGQBMNIDGN-JTQLQIEISA-N 197.234 0.654 10 10 ACCE Cc1cc(O)c([C@H](N)[C@@H](C)O)c(O)c1 104487371 LIAAWAHUZULOQT-LHLIQPBNSA-N 197.234 0.787 10 10 ACCE COC(=O)[C@@H]1CCC[C@@H](N=[N+]=[N-])[C@@H]1O 238333947 SUKQGGHQVBVYGZ-FSDSQADBSA-N 199.210 0.999 10 10 ACCE CC(=S)[C@H](C)[C@H](N)C(=O)O 238421030 JCMOYRQFEJXVLJ-UCORVYFPSA-N 161.226 0.424 10 10 ACCE [N-]=[N+]=N[C@@H]1CO[C@@H]2C=CO[C@@H]12 238596149 BXHOLNROOMIROD-PBXRRBTRSA-N 153.141 0.977 10 10 ACCE CN(CO)c1ccc2c(c1)CC(=O)N2 258823351 AJQDTGVOQOFLAB-UHFFFAOYSA-N 192.218 0.567 10 10 ACCE Oc1cc2c(c(O)c1O)CCNC2 259650156 DJSKDEWFXSHSSH-UHFFFAOYSA-N 181.191 0.449 10 10 ACCE NCC[C@H](N)c1cccc(F)c1O 306953260 MHSPFEVECAPNBH-QMMMGPOBSA-N 184.214 0.880 10 10 ACCE CCOC(=O)/C=C(/N=[N+]=[N-])[N+](=O)[O-] 687809690 HIQVMNIHKDYRIV-ARJAWSKDSA-N 186.127 0.978 10 10 ACCE CC[C@@H]1C[C@H]1[C@@H](O)C(=O)C(C)=O 1877637335 AOIPISNTRYRPSE-ZXFLCMHBSA-N 170.208 0.552 10 10 ACCE Nc1ccccc1N[C@H]1COC[C@@H]1N 1888898864 UNVKCTANPDECLG-WPRPVWTQSA-N 193.250 0.407 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCSC1 1929174210 GWAVZDGODLNQDP-MRVPVSSYSA-N 188.248 0.403 10 10 ACCE O=C1C[B-](F)(F)CC1=O 2060312163 LFRIVWJYFPHZQT-UHFFFAOYSA-N 132.882 0.519 10 10 ACCE Nc1ccc(CNc2nnn[nH]2)cc1 83341550 VOWAGMMMDYUADF-UHFFFAOYSA-N 190.210 0.394 10 10 ACCE [N-]=[N+]=NCCN[C@@H](C(N)=O)C1CC1 85224377 BNCOVFPAEDIAFV-ZCFIWIBFSA-N 183.215 0.150 10 10 ACCE N[C@H]1CCc2c(cc(O)c(O)c2O)C1 104479362 WJXSUFMNWCUPRB-LURJTMIESA-N 195.218 0.619 10 10 ACCE Cc1cc([C@@H](N)CCO)c(O)cc1O 214881591 CQLQDPXUABTXEC-QMMMGPOBSA-N 197.234 0.788 10 10 ACCE O=C(O)c1cc(O)c(C(=O)O)s1 219692166 SKWAJHJSPWTCRR-UHFFFAOYSA-N 188.160 0.850 10 10 ACCE O=C1C(=O)[C@@H]2C[C@H]3C[C@H]1[C@H]2C3 306262705 YZTWNDWTZVMVCQ-NLBFYYNUSA-N 150.177 0.801 10 10 ACCE C[C@H]1O[C@@H](O)C[C@H](N=[N+]=[N-])[C@@H]1O 307022224 BBVVQQKDDOWDEI-JGWLITMVSA-N 173.172 0.153 10 10 ACCE COC(=O)c1cc(O)c2c(c1)C[C@@H]2N 307138316 AEQKABUPYCIHPU-ZETCQYMHSA-N 193.202 0.735 10 10 ACCE COc1cccc([C@@H](CO)NO)c1O 379341738 SWTXKFGCTNUKIN-SSDOTTSWSA-N 199.206 0.413 10 10 ACCE Nc1ccccc1NC1[C@H]2CNC[C@H]12 1888904711 FAELBZFJMUWWDG-YUMQZZPRSA-N 189.262 0.899 10 10 ACCE C[C@@H]1C[C@@H]1N(CCO)CCN=[N+]=[N-] 1953841064 ISERTEKTFPDMFT-SFYZADRCSA-N 184.243 0.999 10 10 ACCE NC[C@H](O)c1cc(O)c(O)c(F)c1 11422355 CMXBGHSRBYAOPP-ZETCQYMHSA-N 187.170 0.229 10 10 ACCE N[C@@H](CCO)c1cc(O)c(O)cc1O 44232774 IDVGZOGPROHKBW-LURJTMIESA-N 199.206 0.186 10 10 ACCE N[C@@H](CO)c1cccc([N+](=O)[O-])c1O 72197845 RMAQJQJDWMUIPQ-LURJTMIESA-N 198.178 0.293 10 10 ACCE COC(=O)CNCCN=[N+]=[N-] 86473351 SGEVMESRNBGZGB-UHFFFAOYSA-N 158.161 0.059 10 10 ACCE CN[C@H](CO)c1ccc(O)c(O)c1 104519319 JSFUKWSGBPHKGM-SSDOTTSWSA-N 183.207 0.351 10 10 ACCE O=CN[C@@H](C(=O)O)c1ccccc1O 126145496 HHYPPYRNOIMACT-MRVPVSSYSA-N 195.174 0.264 10 10 ACCE CNC[C@@H](C)N=[N+]=[N-] 220858843 SMSWYHBOOAUTPJ-SCSAIBSYSA-N 114.152 0.905 10 10 ACCE C[C@@H]1C(=O)C(=O)C[C@H](C(=O)O)C1(C)C 238388425 JVHBQYYTJGPOHS-PHDIDXHHSA-N 198.218 0.891 10 10 ACCE COC(=O)[C@@H](N)c1c(O)cccc1O 260128296 MEWLSVDGJBPDHJ-QMMMGPOBSA-N 197.190 0.271 10 10 ACCE C[S@@](=O)N1CC(N=[N+]=[N-])C1 1912191997 ZHRHWBROPGPKAW-SNVBAGLBSA-N 160.202 0.274 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)c2cocn2)C1 1912193070 LUBIMHXNBMSMKJ-UHFFFAOYSA-N 193.166 0.809 10 10 ACCE Oc1ccc(F)cc1[C@@H]1C[C@@H](O)CN1 1952076355 HONMHHRYMAUUPC-APPZFPTMSA-N 197.209 0.927 10 10 ACCE CCOC(=O)[C-]1C=C=S=C1 2060380520 IQWCUBSNSRBWMR-UHFFFAOYSA-N 155.198 0.630 10 10 ACCE [N-]=[N+]=NCCN[C@H](C(N)=O)C1CCC1 87585512 QQIWPNSMXJBPKD-ZETCQYMHSA-N 197.242 0.540 10 10 ACCE O=[N+]([O-])c1c(O)ccc(O)c1O 196111975 PZAHFKBKZUKMIS-UHFFFAOYSA-N 171.108 0.712 10 10 ACCE N[C@@H]1CC(=O)c2ccc(O)c(O)c21 713770773 CCXXTSROUZVQDP-RXMQYKEDSA-N 179.175 0.684 10 10 ACCE [N-]=[N+]=NC1CN(CC(=O)NC2CC2)C1 1912154607 MMTMSORYVWXGIG-UHFFFAOYSA-N 195.226 0.260 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H](C)O[C@H]1C 1929226152 AEYUMJVDMFYPRV-GCHGDONOSA-N 186.207 0.073 10 10 ACCE CC(=O)C(=O)c1ncccn1 1951322519 KENDPPZOWZCEJG-UHFFFAOYSA-N 150.137 0.248 10 10 ACCE Oc1cccc([C@@H]2OCC[C@@H]2O)c1O 1952135622 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196.250 0.748 10 10 ACCE CC(=O)C(=O)COC(=O)CC1CC1 308321596 BLXPXEKOKNDAJB-UHFFFAOYSA-N 184.191 0.488 10 10 ACCE [N-]=[N+]=NCCCN1CCOCCC1=O 308470153 IZEDCBZEKNWAFE-UHFFFAOYSA-N 198.226 0.936 10 10 ACCE CN=NC(C)(C)C(=O)NC 378991338 DFPQSBCFNOEWEV-UHFFFAOYSA-N 143.190 0.593 10 10 ACCE NCc1cc(O)c(O)c(CO)c1 642879233 DFDIYRUTIDIAPM-UHFFFAOYSA-N 169.180 0.049 10 10 ACCE N=[S@]1(O)=CCCC1 701676229 DRNJRYMCZYBGOK-ZETCQYMHSA-N 119.189 0.972 10 10 ACCE N[C@H]1CC(=O)c2cc(O)c(O)c(O)c21 713780811 COPBMXRUBDDDKS-BYPYZUCNSA-N 195.174 0.390 10 10 ACCE Cc1cccc(CNC=O)c1O 1881579208 CWOBIWYVENKHOM-UHFFFAOYSA-N 165.192 0.947 10 10 ACCE [N-]=[N+]=N[C@H]1CCN([C@@H]2CC[C@H]2O)C1 1912168767 GAWLYGCNHKWEBT-XLPZGREQSA-N 182.227 0.894 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(C)CSC1 1933577705 HNIYDLINPIMBFL-ZETCQYMHSA-N 188.248 0.259 10 10 ACCE Nc1ccc(OCOCC(=O)O)cc1 1951361131 OFLZZEWXQCIWJE-UHFFFAOYSA-N 197.190 0.706 10 10 ACCE [N-]=[N+]=NCCN1CCN[C@@H]2C[C@@H]21 1953752509 UUQYXEVEHMJTKE-RQJHMYQMSA-N 167.216 0.343 10 10 ACCE C[C@@H](OCc1ccc(N)cc1)C(N)=O 20390974 WCLKMCGQXAJMFB-SSDOTTSWSA-N 194.234 0.659 10 10 ACCE Oc1ccc([C@@H]2COCCN2)cc1O 32173417 QTYFYQRBBIJXTG-QMMMGPOBSA-N 195.218 0.759 10 10 ACCE Cc1cc(C=O)c(O)c([C@@H](N)CO)c1 72197720 VWFANJAWVORTHU-VIFPVBQESA-N 195.218 0.505 10 10 ACCE C[C@@H](N)[C@@](C)(O)c1ccc(O)c(O)c1 74240293 YJIUIEBEYUHYKL-LHLIQPBNSA-N 197.234 0.653 10 10 ACCE COc1ccc([C@@H](N)[C@@H](C)O)c(O)c1 95672857 VSRUABHBVFKTHI-LDWIPMOCSA-N 197.234 0.781 10 10 ACCE CN(CCO)Cc1ccc(O)cc1O 127910784 WAPQCNZBDMPLGW-UHFFFAOYSA-N 197.234 0.522 10 10 ACCE [N-]=[N+]=N[C@H]1CC(=O)N1 137589430 GFMGZJURAWHJIZ-REOHCLBHSA-N 112.092 0.143 10 10 ACCE COc1ccc(CNN(C)C)c(O)c1 213955937 KPWDJRPRQKMJAK-UHFFFAOYSA-N 196.250 0.967 10 10 ACCE Cn1ccnc1C=C[C@H]1CNCCO1 1899258490 QWRPEZYQSWKLKK-VIFPVBQESA-N 193.250 0.422 10 10 ACCE CCCC[C@@H](O)C(=O)C(C)=O 1929116480 ADSOUIADHNHDEG-SSDOTTSWSA-N 158.197 0.696 10 10 ACCE CC(=O)C(=O)C1(O)CC(C(F)F)C1 1932746698 VRHOFKAPZIKVMU-UHFFFAOYSA-N 192.161 0.551 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@](N)(CO)C1 1957251091 XHLORDQBTNTVQD-MRVPVSSYSA-N 199.258 0.082 10 10 ACCE COC(=O)[C@H](N)c1cccc(C)c1O 95639645 KHZRMZHPCIVPKA-MRVPVSSYSA-N 195.218 0.873 10 10 ACCE C/[N+]([O-])=N/C(=O)N1CCCC1 100213465 GMDVIRRQLVCODZ-FPLPWBNLSA-N 157.173 0.795 10 10 ACCE CC(=O)OCN=[N+](C)[O-] 154640322 BELPJCDYWUCHKF-UHFFFAOYSA-N 132.119 0.099 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@H](O)CN1 164902415 DCTBZANPIUDXKG-WHFBIAKZSA-N 142.162 0.020 10 10 ACCE CO[C@@H]1NC(=O)C=C1N=[N+]=[N-] 238338233 VMZIEDWGSTWVDX-YFKPBYRVSA-N 154.129 0.283 10 10 ACCE CO[C@H](C)C(=O)C(C)=O 238392217 FAULUOKKBSLSJZ-RXMQYKEDSA-N 130.143 0.179 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917629310 PXDPMEDHLJBLLP-CDDJKKQXSA-N 194.230 0.552 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C(F)(F)F 1929110941 QOYNDGRXLANAAH-RXMQYKEDSA-N 184.113 0.458 10 10 ACCE OCC=CCc1cc(O)c(O)c(O)c1 1951593034 RTMYZNRQAQBYBW-UHFFFAOYSA-N 196.202 0.894 10 10 ACCE COC[C@](C)(N)c1ccc(O)cc1O 1951660684 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VXEDOCIQAAVSQQ-UHFFFAOYSA-N 179.175 0.862 10 10 ACCE CNCCN(C)CCN=[N+]=[N-] 1953341189 NXENAUHGIYXRGC-UHFFFAOYSA-N 157.221 0.448 10 10 ACCE Nc1ccc(N[P@](N)(=O)O)cc1 39311065 SCZFTBKSBHDRCT-UHFFFAOYSA-N 187.139 0.740 10 10 ACCE NCc1ccc(N2CC[C@@H](O)C2)cc1 61709466 HAJDABUADJGUAA-LLVKDONJSA-N 192.262 0.716 10 10 ACCE Cc1cc(O)c([C@H](N)CO)cc1F 72197532 HVRWRNSESRLKEV-MRVPVSSYSA-N 185.198 0.832 10 10 ACCE NC(=S)c1ccc(O)c(O)c1O 83341017 RTGWMLSZJBBHAJ-UHFFFAOYSA-N 185.204 0.438 10 10 ACCE N[C@H](CO)c1ccc(F)c(O)c1O 212078831 DRPFVHWSDHCRKR-ZCFIWIBFSA-N 187.170 0.229 10 10 ACCE O=C(O)/C(Br)=C/O 222094924 ZNMYYCYCXIDCRJ-UPHRSURJSA-N 166.958 0.865 10 10 ACCE Cc1cc(O)c([C@@H](N)CN)cc1N 238474158 FFBFBDGVFJXCMH-QMMMGPOBSA-N 181.239 0.241 10 10 ACCE N[C@@H]1CC(=O)c2cc(O)c(O)c(O)c21 713780813 COPBMXRUBDDDKS-SCSAIBSYSA-N 195.174 0.390 10 10 ACCE OC[C@@H](F)c1cc(O)c(O)c(O)c1 1952113006 PKEDQPMLOPFPNQ-RXMQYKEDSA-N 188.154 0.806 10 10 ACCE O=C(O)CNCc1c(O)cccc1F 1955544873 RVXJCOZKSZKXRD-UHFFFAOYSA-N 199.181 0.706 10 10 ACCE O=S=C1Cc2ccccc2C1=O 38266016 IRVSVKKHZCTGEC-UHFFFAOYSA-N 178.212 0.811 10 10 ACCE NOCCCOc1ccc(N)cc1 77252544 MMLSBVHEKDWBEG-UHFFFAOYSA-N 182.223 0.928 10 10 ACCE C[C@@H]1OC(=O)C[C@H](N=[N+]=[N-])[C@@H]1O 238402243 BTKYBZIFZZFJSF-RVJQKOHUSA-N 171.156 0.362 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@H](O)[C@@H]1O 238683590 BYJLFVCKKHKGQZ-NGJCXOISSA-N 157.173 0.571 10 10 ACCE C[C@@H]1CN[C@@H](CN=[N+]=[N-])OC1 885255207 GDDGGLGEKHOGMF-PHDIDXHHSA-N 156.189 0.879 10 10 ACCE CC(=O)C(=O)[C@H](O)C1[C@@H](C)[C@@H]1C 1881184401 PGEYQEBVDZAFJK-DQSPEZDDSA-N 170.208 0.407 10 10 ACCE [N-]=[N+]=NC1CN(Cc2cn[nH]c2)C1 1912192069 AMBUYQKTRCCWTN-UHFFFAOYSA-N 178.199 0.904 10 10 ACCE CN(CCN=[N+]=[N-])Cc1cnnn1C 1934967263 WCZHULOEMMXWGE-UHFFFAOYSA-N 195.230 0.557 10 10 ACCE CC(=O)C(=O)[C@@H]1CCCCO1 1951322542 LGMOLBYGWXCALR-ZETCQYMHSA-N 156.181 0.714 10 10 ACCE C[C@@](O)(CN)c1cccc(O)c1O 1951473729 PYCCLFDLVMJMPY-SECBINFHSA-N 183.207 0.264 10 10 ACCE CO[C@H](C)CC(=O)C(C)=O 1951479559 JCLOXPFTJCEDOL-RXMQYKEDSA-N 144.170 0.570 10 10 ACCE CC(C)(N)[C@@H](O)c1cc(O)nc(O)c1 1951727723 HDSNZGBUPQZPDN-QMMMGPOBSA-N 198.222 0.264 10 10 ACCE O=C1CC(c2cc(O)nc(O)c2)C1 1952431369 JARACOYBKBXZBA-UHFFFAOYSA-N 179.175 0.939 10 10 ACCE Cn1cc(C(=O)O)c(CN=[N+]=[N-])n1 1953982394 UVFIDALPNJWGNS-UHFFFAOYSA-N 181.155 0.929 10 10 ACCE O=C(C(=O)C1CC1)C1CC1 5133469 UKHLNGHTXWIWGW-UHFFFAOYSA-N 138.166 0.945 10 10 ACCE COc1cccc(O)c1CN 90554889 FLSOMGPWKREWBB-UHFFFAOYSA-N 153.181 0.860 10 10 ACCE C[C@](N)(CO)c1cc(F)ccc1O 95757914 KCEBPZFFQLLWOR-VIFPVBQESA-N 185.198 0.698 10 10 ACCE CC(=O)c1cc(O)nc(O)c1 95766552 ZMPKOPUHPGRDLW-UHFFFAOYSA-N 153.137 0.695 10 10 ACCE COC(=O)/C(=C/O)Cc1cncnc1 168091727 JCBCMSMILUNHDL-VMPITWQZSA-N 194.190 0.634 10 10 ACCE Cc1ccc([C@@H](N)CO)c(O)c1O 213051989 LYIHHKFMVQDKNV-ZETCQYMHSA-N 183.207 0.398 10 10 ACCE [N-]=[N+]=N[C@H]1C=C[C@H]2OC[C@H]1O2 306660305 QEQOSOYOPXPIHV-JKUQZMGJSA-N 153.141 0.977 10 10 ACCE Cc1cc(CN)ccc1N1CC(O)C1 307390588 SWMSHDNRCOIEKP-UHFFFAOYSA-N 192.262 0.635 10 10 ACCE CCN1CC[C@@H](N)[C@H]1CN=[N+]=[N-] 642869250 GRFYKJQMSLMFKD-RNFRBKRXSA-N 169.232 0.718 10 10 ACCE CN(CCN=[N+]=[N-])C[C@@H]1CCNC1=O 1886563206 VYOOVERCRPOLHI-ZETCQYMHSA-N 197.242 0.365 10 10 ACCE C[C@@H](O)CCN1CC(N=[N+]=[N-])C1 1912190342 CEEAJKKPFMHHGK-ZCFIWIBFSA-N 170.216 0.752 10 10 ACCE CC(C)(N)c1cc(O)c(O)c(O)c1 1951611253 OATGRSKFMQRRDQ-UHFFFAOYSA-N 183.207 0.997 10 10 ACCE NCC1(NCc2ccccc2O)CC1 1956736871 KYTQOROGECPCEY-UHFFFAOYSA-N 192.262 0.973 10 10 ACCE N[C@H](CO)c1c(O)cc(F)cc1F 72197640 ZYPUUBUOQYABNY-ZCFIWIBFSA-N 189.161 0.663 10 10 ACCE Oc1c(O)c2c(c3c1OCO3)OCO2 196368285 JUXCCQSAUOOSTG-UHFFFAOYSA-N 198.130 0.555 10 10 ACCE NCc1c(O)ccc2c1OCCO2 212026962 FRICVOMCTQQYLO-UHFFFAOYSA-N 181.191 0.622 10 10 ACCE CCOC(=O)[C@@H]1C[C@H](O)[C@@H](N=[N+]=[N-])C1 238796439 JYEUDHJUJYMMFI-ACZMJKKPSA-N 199.210 0.999 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1[C@@H](C)[C@H]1C 1881184399 PGEYQEBVDZAFJK-BBERBSMNSA-N 170.208 0.407 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2CCN[C@H]2C1 1887738008 JUWKXQHLPAHQOH-BDAKNGLRSA-N 195.270 0.981 10 10 ACCE CO[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1F 1912194339 KIGYABVYJJRGFG-NKWVEPMBSA-N 188.206 0.965 10 10 ACCE C[C@H](O)c1cc(O)c(O)c(O)c1 14817839 JQPMPAUMOKGKOC-BYPYZUCNSA-N 170.164 0.857 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@H](F)C(=O)O1 137562020 KMIQMFOOFDDXLL-IMJSIDKUSA-N 159.120 0.950 10 10 ACCE C[C@H](N=[N+]=[N-])[C@H](O)CO 222748171 FYVSTNDQDCBLQF-IUYQGCFVSA-N 131.135 0.038 10 10 ACCE [N-]=[N+]=NCCOC[C@H](O)CN=[N+]=[N-] 238689266 KPOJVRYEPFXQSD-RXMQYKEDSA-N 186.175 0.985 10 10 ACCE CO[C@@H]1C=C[C@@H](N=[N+]=[N-])[C@H](CO)O1 306283171 BOZSPFVZFOWVFO-VQVTYTSYSA-N 185.183 0.585 10 10 ACCE CC(=O)N[C@@H]1[C@@H](O)CCC[C@H]1N=[N+]=[N-] 306752259 KXOHOYZISPUSEC-CSMHCCOUSA-N 198.226 0.715 10 10 ACCE CN(C[C@H](O)CN=[N+]=[N-])C1CC1 388415563 DUZNTCVEJJTLSK-SSDOTTSWSA-N 170.216 0.752 10 10 ACCE COCC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403642334 PXSKBUFJQYYZJT-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE N=[N+]=CC(=O)c1cccnc1 725383006 KQDZYWOLALKLIV-UHFFFAOYSA-N 148.145 0.574 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2CC[C@H]21 1929226478 CSHOKGXIEHAXTP-XKSSXDPKSA-N 182.219 0.696 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CO[C@@H](C2CC2)C1 1929245755 FTWSHPLUXHPIOY-SCZZXKLOSA-N 198.218 0.075 10 10 ACCE Oc1ccc([C@H]2C[C@@H](O)CN2)c(O)c1 1952062406 NNIUNDCICNNXNM-VXNVDRBHSA-N 195.218 0.493 10 10 ACCE CC1(C)[C@H](N)[C@@H]1c1cc(O)nc(O)c1 1952775571 PMZQAZNCHXIZHV-DTWKUNHWSA-N 194.234 0.944 10 10 ACCE N[C@@]1(c2ccccc2O)C[C@H]1C(=O)O 1952849690 QXJOSDAMKQJYFO-OIBJUYFYSA-N 193.202 0.651 10 10 ACCE N=Nc1ccc(S(N)(=O)=O)cc1 39053965 UNIHIQDMSWDAQH-UHFFFAOYSA-N 185.208 0.996 10 10 ACCE CC[C@H](NCCCN=[N+]=[N-])C(N)=O 85225262 NVUQVNGFNTUUSQ-LURJTMIESA-N 185.231 0.540 10 10 ACCE CC[C@@H](N=[N+]=[N-])[C@@H](O)CC(=O)OC 220703517 RDESGHRGVYBCDV-RITPCOANSA-N 187.199 0.999 10 10 ACCE COC(=O)C1=C[C@@H](N=[N+]=[N-])[C@@H](O)CC1 238310994 CCXQVUOVSPOLTB-RQJHMYQMSA-N 197.194 0.919 10 10 ACCE N[C@H]1COc2cccc(O)c21 238647575 XLJVRPGDJPBTLQ-YFKPBYRVSA-N 151.165 0.784 10 10 ACCE [N-]=[N+]=NCCNC(=O)C1[C@@H]2COC[C@@H]12 385836091 PYQFQBYBFKNICI-PHDIDXHHSA-N 196.210 0.305 10 10 ACCE C[C@@H]1C[C@H]1[C@H](NCCN=[N+]=[N-])C(=O)O 705281987 QPUWSBWSZNYJOX-QYNIQEEDSA-N 198.226 0.996 10 10 ACCE CO[C@H](C)C(=O)[C@@H]1CCCC(=O)C1=O 725257672 VPUVTRYMDPGDPS-RQJHMYQMSA-N 198.218 0.529 10 10 ACCE [N-]=[N+]=NC1CCN(CC(N)=O)CC1 1912201549 WASNMVUHNPIJRA-UHFFFAOYSA-N 183.215 0.246 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccc(F)nc1 1929183316 SUBRQXSNRQOOKU-SECBINFHSA-N 197.165 0.412 10 10 ACCE C[C@@H]1[C@H](N)CCN1CCN=[N+]=[N-] 1953757387 BKSWLDDZWQUSCB-RNFRBKRXSA-N 169.232 0.718 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)C[C@H](F)C1 2209174004 CXMKVTHUMNSMPL-BQBZGAKWSA-N 188.206 0.701 10 10 ACCE C[C@H]1CN(C(=O)CN=[N+]=[N-])C[C@H](C)O1 104702518 WJCVCSZJEXFILD-BQBZGAKWSA-N 198.226 0.933 10 10 ACCE Cc1ccc([C@@H](N)CCO)c(O)c1O 214020131 WZIWCIFZSJAYLH-QMMMGPOBSA-N 197.234 0.788 10 10 ACCE CN1CCC(=O)N(CCN=[N+]=[N-])C1=O 216830292 YVBICPRTRAFPMY-UHFFFAOYSA-N 197.198 0.581 10 10 ACCE Cc1[nH][nH]c(=O)c1C(=S)N=[N+]=[N-] 238484381 YUYGIRQUVOYBSQ-UHFFFAOYSA-N 183.196 0.997 10 10 ACCE O[C@H]1C=C[C@@]2(CCCCO2)O1 238721143 BIJDGDKGDNCIBA-HTQZYQBOSA-N 156.181 0.788 10 10 ACCE COC(=O)[C@H](F)C[C@@H](O)CN=[N+]=[N-] 238799940 LEHHRFVOKPDZBP-RFZPGFLSSA-N 191.162 0.559 10 10 ACCE CON(CCN=[N+]=[N-])[C@@H]1CCNC1 1881936999 CYWUJEXVFVRISP-SSDOTTSWSA-N 185.231 0.522 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H]1CO 1912170515 XVMGHPYQXTXURE-ZETCQYMHSA-N 170.216 0.753 10 10 ACCE O=C1CO[C@H](c2cc(O)nc(O)c2)C1 1952675473 BTJNNBIDKVNRSH-ZETCQYMHSA-N 195.174 0.523 10 10 ACCE Nc1c[nH]nc1-c1cc(O)nc(O)c1 1952766956 YRVYASXEXJRKAF-UHFFFAOYSA-N 192.178 0.465 10 10 ACCE Nc1ccc(O)c([C@H]2COCCN2)c1 104684899 GSBSQFWLKNUYHI-SECBINFHSA-N 194.234 0.635 10 10 ACCE CO[C@H](CN)c1ccc(O)c(O)c1 107171111 LNPKPYXTDNJNAQ-SECBINFHSA-N 183.207 0.744 10 10 ACCE in-vitro COC(=O)[C@H](O)[C@@H](C)N=[N+]=[N-] 196825777 DIBXXJHSHVZAHB-QWWZWVQMSA-N 159.145 0.219 10 10 ACCE CC[C@@H](N=[N+]=[N-])[C@](C)(O)C(=O)O 210563031 WLOCSKRGRCFFNX-XINAWCOVSA-N 173.172 0.911 10 10 ACCE Cc1cccc(O)c1CNCC(=O)O 215509534 JDLWLELZJBKPNI-UHFFFAOYSA-N 195.218 0.875 10 10 ACCE CN(C)C(=N)N=[N+]=[N-] 238295373 UVMIFPIRYRBAEB-UHFFFAOYSA-N 113.124 0.793 10 10 ACCE C[C@](N)(CCO)c1cc(O)nc(O)c1 238500888 VQIPQCMVTSVSPU-VIFPVBQESA-N 198.222 0.049 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@@H](CO)[C@@H]1F 238721349 PCHKPCWJHDEWOX-GBNDHIKLSA-N 189.190 0.624 10 10 ACCE COc1cccc([C@H](N)[C@@H](C)N)c1O 307393222 AFMJEYKKWLXPLC-HZGVNTEJSA-N 196.250 0.748 10 10 ACCE CC(C)[S@](=O)NCCN=[N+]=[N-] 385411909 AEJXEWVUSDWXTM-NSHDSACASA-N 176.245 0.958 10 10 ACCE [N-]=[N+]=NC[C@H]1CCN1 642877144 HKGQGLZEXWNWLH-SCSAIBSYSA-N 112.136 0.659 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@H](O2)C1=O 719512436 ASHFCSGTCCDVGZ-RNFRBKRXSA-N 196.210 0.687 10 10 ACCE [N-]=[N+]=NCCN1CCOC[C@@H](F)C1 1887134489 ZDZBGHNJURXQQS-ZETCQYMHSA-N 188.206 0.967 10 10 ACCE COc1cncc([C@@H](CO)N=[N+]=[N-])n1 1951435059 ZZAUFPLTFUXGJD-ZCFIWIBFSA-N 195.182 0.829 10 10 ACCE [N-]=[N+]=NCCCOCCN 1953179851 IPTHUCDIQDEFIM-UHFFFAOYSA-N 144.178 0.662 10 10 ACCE C[C@H](N)c1cc(N)ccc1O 104580792 MLNIZSQLVFDFMU-YFKPBYRVSA-N 152.197 0.994 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@@H](CO)[C@H]1F 306218926 PCHKPCWJHDEWOX-DBRKOABJSA-N 189.190 0.624 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)C[C@@H]1O 687756630 ZNHMIJSNCHKMLG-LMVFSUKVSA-N 143.146 0.181 10 10 ACCE Nc1cccc([C@H](N)CF)c1O 757133933 KCZMYIMCPQWMTR-SSDOTTSWSA-N 170.187 0.944 10 10 ACCE CC[C@](O)(C(=O)C(C)=O)C(F)F 1880775046 FUOFLQNSFLQBCF-ZETCQYMHSA-N 180.150 0.551 10 10 ACCE C[C@H](CC(N)=O)N(C)CCCN=[N+]=[N-] 1912205692 GUYYMGKVDGDOHJ-SSDOTTSWSA-N 199.258 0.883 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCC[C@@H]1CN 1930157647 CZSZICABUYJDDX-PSASIEDQSA-N 199.250 0.025 10 10 ACCE NC[C@@H](F)c1cc(O)nc(O)c1 1952447750 GXYSTFVWRVSKME-RXMQYKEDSA-N 172.159 0.462 10 10 ACCE [N-]=[N+]=NCCN1CC[C@]2(CCNC2)C1 1957249550 KXEVFWCEVONCKY-VIFPVBQESA-N 195.270 0.982 10 10 ACCE CC1(C)[C@@H](N=[N+]=[N-])[C@@]1(CO)C(=O)O 36456090 UOBQDNDOZZIBMH-FBCQKBJTSA-N 185.183 0.768 10 10 ACCE N[C@@H](C(=O)O)c1cccc(F)c1O 82877674 PVQKRYGMIZELKA-ZCFIWIBFSA-N 185.154 0.616 10 10 ACCE NCc1cccc(C(=O)O)c1O 84250609 ISHCLJXLZBYODT-UHFFFAOYSA-N 167.164 0.549 10 10 ACCE C[C@@](N)(C(=O)O)c1cc(F)ccc1O 104503043 LWLUGGJWUNWBCG-VIFPVBQESA-N 199.181 0.790 10 10 ACCE [N-]=[N+]=N[C@H]1COCC[C@@H]1O 159706163 HNVZTLHKKVHLSJ-WHFBIAKZSA-N 143.146 0.447 10 10 ACCE CCC[C@@H]1C(=O)CC(=O)C1=O 223343867 RVNNSUDYMDTKEG-RXMQYKEDSA-N 154.165 0.514 10 10 ACCE CN(C(=N)N)c1ccc(O)c(O)c1 238293631 SZZQPMKDRNYRFC-UHFFFAOYSA-N 181.195 0.427 10 10 ACCE [N-]=[N+]=N[C@H]1[C@H]2C[C@@H](C=C2CO)[C@@H]1O 238701616 UANCDSCZRDOPTK-YTQLPXDHSA-N 181.195 0.595 10 10 ACCE [N-]=[N+]=N[C@H]1[C@@H](O)[C@@H]2C=C(CO)[C@H]1C2 307536825 UANCDSCZRDOPTK-JBBNEOJLSA-N 181.195 0.595 10 10 ACCE [N-]=[N+]=NC[C@H]1NC2(COC2)CO1 1881117498 AGBRVPBCNRXUFC-YFKPBYRVSA-N 170.172 0.012 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@]1(C)CCCCN1 1890809700 CYIPBCOPRNDDIY-UWVGGRQHSA-N 199.250 0.038 10 10 ACCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CC[C@@H](N)C1 1901601747 LHVLIZKSSHDCSV-NQMVMOMDSA-N 199.250 0.023 10 10 ACCE COC[C@H]1CCC(=O)C(=O)C1 1918859896 IXBVGKVJEOKESJ-LURJTMIESA-N 156.181 0.571 10 10 ACCE CC(=O)C(=O)CSC[C@@H](C)O 1923920542 ROYTUHKPJSNETJ-RXMQYKEDSA-N 176.237 0.259 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2[C@@H](N)[C@H]2C1 1954208820 UDKIPUAEEJQQTL-RNLVFQAGSA-N 181.243 0.576 10 10 ACCE [N-]=[N+]=NC[C@H]1CC[C@H](CO)O1 38949064 AQQMOBMMRBLTGD-PHDIDXHHSA-N 157.173 0.837 10 10 ACCE Oc1ccc2cn[nH]c2c1O 89200479 AGOBADFILODFAX-UHFFFAOYSA-N 150.137 0.974 10 10 ACCE N=C(N)Cc1cc(O)cc(O)c1O 146822071 AHEGCVAZYHXFKB-UHFFFAOYSA-N 182.179 0.282 10 10 ACCE [N-]=[N+]=N[C@@H]1CCO[C@@H]1C(=O)O 238636306 UROHGMIFGGCYGK-DMTCNVIQSA-N 157.129 0.539 10 10 ACCE [N-]=[N+]=N[C@H]1CO[C@@H](CO)C1 238721326 YTANMEFBCLQUGM-RFZPGFLSSA-N 143.146 0.447 10 10 ACCE [N-]=[N+]=N[C@H]1CCN2C(=O)OC[C@@H]12 698192256 VNDZHYYUVDEAFG-WHFBIAKZSA-N 168.156 0.890 10 10 ACCE CNN[C@@H](C)c1c(O)cccc1O 707536475 ZGWOGRGIYYJYLI-LURJTMIESA-N 182.223 0.883 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2CNC[C@H]21 1882914060 FVRLSWAQEZIQOR-HTQZYQBOSA-N 181.243 0.590 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2[C@H](CO)[C@@H]2C1 1885712390 FTOIULCJBQSPTF-AYMMMOKOSA-N 196.254 0.857 10 10 ACCE O=C1CNC[C@@H](c2ccccc2O)N1 1952158019 RXQSZOIHIJIZQV-QMMMGPOBSA-N 192.218 0.153 10 10 ACCE N=N[C@H](O)C(=O)Nc1nccs1 2080208495 ROSNOBKXETZEDC-SCSAIBSYSA-N 186.196 0.431 10 10 ACCE CC1(C)C[C@H]1COc1nnc(=N)[nH]n1 2209560357 NBOABTWMPYWQOS-YFKPBYRVSA-N 195.226 0.104 10 10 ACCE C[C@@H]1NC[C@@H](O)c2cc(O)c(O)cc21 31502791 WJKTWCQUWWUWJC-XUOSJQGZSA-N 195.218 0.795 10 10 ACCE Nc1ccc(O[S@@](=O)O)cc1 34527810 BKLRTMUUHACFPD-UHFFFAOYSA-N 173.193 0.784 10 10 ACCE C[C@](CN)(CO)c1ccc(O)c(O)c1 107140090 CTBBCDYFWUYDQJ-JTQLQIEISA-N 197.234 0.307 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C[C@@H]1O 136728864 LTERTUYKFMDNRX-GUCUJZIJSA-N 198.186 0.860 10 10 ACCE [N-]=[N+]=N[C@H]1CN[C@@H](C(=O)O)C1 144589611 PPRFZPZRQYPCER-QWWZWVQMSA-N 156.145 0.112 10 10 ACCE C[C@H]1C/C(=C/O)C(=O)O1 205903591 HGECVEUOGLVVSV-BNWFAOCJSA-N 128.127 0.764 10 10 ACCE Cc1cc(N)cc([C@H](N)CN)c1O 238448832 AAPUBXDCJCQVEO-MRVPVSSYSA-N 181.239 0.241 10 10 ACCE NC1(c2cc(CCO)ccc2O)CC1 238560047 LSTLMSULDZQKOD-UHFFFAOYSA-N 193.246 0.875 10 10 ACCE NC1=CC=C(N)C(=S)C1=S 238603833 KFCKVDXVVPSSJV-UHFFFAOYSA-N 170.262 0.425 10 10 ACCE N[C@H](CO)c1ccc2c(c1O)CCC2 258070157 MCHHHTMFIBOUCK-SNVBAGLBSA-N 193.246 0.873 10 10 ACCE C[C@H]1C[C@@H]2C[C@H]1C(=O)C2=O 307370027 PDDGLSPMNBJGIG-KVQBGUIXSA-N 138.166 0.801 10 10 ACCE OCC[C@@H](NO)c1ccc(O)c(O)c1 308383070 YXJCYKRJJDOEML-SSDOTTSWSA-N 199.206 0.500 10 10 ACCE CC1(C)OC[C@@H](N=[N+]=[N-])[C@@H]1O 1857781012 BYPYFCBLFRDMPE-UHNVWZDZSA-N 157.173 0.835 10 10 ACCE Oc1cc(O[C@H]2CCNC2)cc(O)n1 1952155340 KOWFIMODTJMJMV-LURJTMIESA-N 196.206 0.234 10 10 ACCE CC(C)(CO)c1cc(O)nc(O)c1 1952302168 DRIMLJKHDKMHRW-UHFFFAOYSA-N 183.207 0.763 10 10 ACCE CC(=O)C(=O)[C@H](C)C(C)=O 38391904 FMABCBYNHKBBEH-SCSAIBSYSA-N 142.154 0.370 10 10 ACCE N[C@H](CO)c1cc2[nH]ccc2cc1O 72197679 WSXSSBHVJXJFFE-MRVPVSSYSA-N 192.218 0.866 10 10 ACCE CCCC(=O)C(=O)C(=O)O 77260475 UGBIGNUFLRCUBK-UHFFFAOYSA-N 144.126 0.009 10 10 ACCE O=CNCc1ccccc1O 77862362 BIRZCWCEEIXUDY-UHFFFAOYSA-N 151.165 0.638 10 10 ACCE COC(=O)[C@H]1CC[C@H](N=[N+]=[N-])[C@@H](O)C1 200398213 ZUHPYYPMHWSMQW-ACZMJKKPSA-N 199.210 0.999 10 10 ACCE C[C@](N)(CN)c1ccccc1O 212934242 VKKFLXCNIZDKPF-VIFPVBQESA-N 166.224 0.525 10 10 ACCE Cc1cc(O)c(O)cc1[C@H](O)[C@@H](C)N 238384979 DJCGXJGTKLBYKS-LHLIQPBNSA-N 197.234 0.787 10 10 ACCE C[C@H](CO)C[C@@H](O)CN=[N+]=[N-] 238431966 NTLDJVTXGQACKA-NTSWFWBYSA-N 159.189 0.676 10 10 ACCE O=C(O)[C@@H]1NCc2c(O)cccc21 238676983 FFUQSDSHJZOPLM-MRVPVSSYSA-N 179.175 0.621 10 10 ACCE [N-]=[N+]=NC[C@@H](F)CO 238704096 AUFVDUWMJFEETQ-GSVOUGTGSA-N 119.099 0.627 10 10 ACCE [N-]=[N+]=N[C@]1(CO)CC[C@@H]2OC[C@H]1O2 307498187 GTSYBGARZHXEGE-QYNIQEEDSA-N 185.183 0.563 10 10 ACCE CCNC(=O)c1c#cc(NN=N)nn1 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CO[C@H](C)C(=O)NCCN=[N+]=[N-] 163927577 INBYLOHYHVOYPI-RXMQYKEDSA-N 172.188 0.448 10 10 ACCE C[C@@](N)(CO)c1ccc(N)cc1O 238444974 QZAAWRKKINNCOC-SECBINFHSA-N 182.223 0.141 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@@H](O)CC(=O)C(=O)O 687762789 MHCOOPPZUSXEBR-DMTCNVIQSA-N 187.155 0.090 10 10 ACCE O=Cc1c(O)csc1C(=O)O 958747458 BHDVYUQKBQTMFN-UHFFFAOYSA-N 172.161 0.964 10 10 ACCE CSCC[C@](C)(O)C(=O)C(C)=O 1888916178 HUQRKZQRGPYWCN-QMMMGPOBSA-N 190.264 0.649 10 10 ACCE CNC(=O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912191946 YRPKJZQEYVWWPS-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE O=C(O)C(=O)C(=O)c1cccs1 77270912 FYFBJOGFOJKVHK-UHFFFAOYSA-N 184.172 0.585 10 10 ACCE NCc1cc(Cl)c(O)c(O)c1O 83165163 NRPQCQBWKMZPBF-UHFFFAOYSA-N 189.598 0.916 10 10 ACCE [N-]=[N+]=NCC[C@H](O)CO 196144036 CBRREUPPRHQWCX-BYPYZUCNSA-N 131.135 0.040 10 10 ACCE O=C(O)c1ccc(O)c2c1CCNC2 213673975 XPUUBCACLKHHOU-UHFFFAOYSA-N 193.202 0.736 10 10 ACCE C[C@H](C(=O)O)[C@@H](O)CN=[N+]=[N-] 215619512 HSCABXLQWUDSSY-IMJSIDKUSA-N 159.145 0.378 10 10 ACCE CNCc1ccc(N2CC(O)C2)cc1 306681314 NTWONKHHNLLIHS-UHFFFAOYSA-N 192.262 0.587 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@H](O)[C@H](O)C1 307266164 GBOJRJUCRMPPEG-DSYKOEDSSA-N 171.200 0.961 10 10 ACCE NCC1CN(Cc2ccccc2O)C1 712567803 YKLNJIOZIAKYAY-UHFFFAOYSA-N 192.262 0.783 10 10 ACCE CO[C@H]1CC[C@@](O)(C(=O)C(C)=O)C1 1882754653 RNOMWNVQNATPOH-CBAPKCEASA-N 186.207 0.075 10 10 ACCE CC[C@@H](C)[C@@H](O)C(=O)C(C)=O 1929132630 YHTDHEBQLSHPPD-IYSWYEEDSA-N 158.197 0.552 10 10 ACCE COc1ccc([C@H](CO)N=[N+]=[N-])nn1 1951448591 OCAUOGZAYPRPEA-LURJTMIESA-N 195.182 0.829 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H](OCCN)C1 1957244515 QGXQCFUTFNRPPB-QMMMGPOBSA-N 199.258 0.346 10 10 ACCE Nc1ccc(CCC(CO)CO)cc1 107534586 SYRMOXARXGIAQQ-UHFFFAOYSA-N 195.262 0.802 10 10 ACCE [N-]=[N+]=N[C@H]1CSC[C@H]1O 137055824 WGEWJFZGCWBNDD-IUYQGCFVSA-N 145.187 0.773 10 10 ACCE COC(=O)[C@@H](O)c1ccc(O)c(O)c1 141748512 DXLNXATUNOYNFK-QMMMGPOBSA-N 198.174 0.304 10 10 ACCE OCC1=CCN[C@H]1c1ccccc1O 205091982 NVTZMDRWPVHIAJ-LLVKDONJSA-N 191.230 0.955 10 10 ACCE [N-]=[N+]=NC[C@H](O)C[C@@H](F)C(=O)O 238681110 JULYQMJRCISPDE-QWWZWVQMSA-N 177.135 0.470 10 10 ACCE OC[C@@H]1CNCc2c(O)cccc21 257883271 MHAPSGPKKHBZSU-ZETCQYMHSA-N 179.219 0.571 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1O 306774225 VISLQXVZGBJEOF-RNFRBKRXSA-N 170.216 0.609 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])C1 307549054 PDHUDORGZMLMBS-OMMKOOBNSA-N 198.186 0.860 10 10 ACCE CO[C@@H]1O[C@H](CCN=[N+]=[N-])C[C@H]1O 308046689 BVJGHWXUXRWMGP-FSDSQADBSA-N 187.199 0.809 10 10 ACCE CNC[C@@H](O)c1ccc(O)c(O)c1O 1535835937 QQYIFKKIWGZHCT-SSDOTTSWSA-N 199.206 0.056 10 10 ACCE C[C@@H](N)C(=O)c1ccc(O)c(O)c1O 1535836543 WPPZXTIZEPPVMO-SCSAIBSYSA-N 197.190 0.333 10 10 ACCE CN[C@H]1CN(CCN=[N+]=[N-])CC12CC2 1905550982 SJAQUFLGYQWXKV-QMMMGPOBSA-N 195.270 0.981 10 10 ACCE C[C@H](N)[C@H](O)CN=[N+]=[N-] 1912144511 UJCGILXDSMKBNY-IUYQGCFVSA-N 130.151 0.005 10 10 ACCE [N-]=[N+]=NC1CN(Cc2cnccn2)C1 1912153166 DYPCBUDOVBQFRC-UHFFFAOYSA-N 190.210 0.971 10 10 ACCE CC(=O)NCCN1CC[C@@H](N=[N+]=[N-])C1 1912183239 MVLQHAQSHDIXAC-MRVPVSSYSA-N 197.242 0.507 10 10 ACCE CCCOCC(=O)N1CC(N=[N+]=[N-])C1 1912196209 JUSFKNMIBBBZIZ-UHFFFAOYSA-N 198.226 0.934 10 10 ACCE [N-]=[N+]=NCCN1C[C@H](F)[C@H](O)C1 1912204694 KSWWKEXLQUISHZ-NTSWFWBYSA-N 174.179 0.311 10 10 ACCE CC(=O)C(=O)C1(C)CC1 1951322781 WBSOSUZFCGJJSR-UHFFFAOYSA-N 126.155 0.945 10 10 ACCE Cn1nc(CN=[N+]=[N-])ccc1=O 1951596011 CELSMLKCZZHXCT-UHFFFAOYSA-N 165.156 0.591 10 10 ACCE O=C1O[C@H](c2ccccc2)C(=O)C1=O 33902828 OIYUNDWAIWJGBI-SECBINFHSA-N 190.154 0.423 10 10 ACCE CO[C@@H]1O[C@H](C)C[C@@H](N=[N+]=[N-])[C@@H]1O 238349013 DIOMNNRTXXAKOW-MVIOUDGNSA-N 187.199 0.808 10 10 ACCE Nc1ccc(CC(=O)NCCF)cc1 379503317 MAAMOFXCIVYSLX-UHFFFAOYSA-N 196.225 0.897 10 10 ACCE C[C@@H](O)CC(=O)NCCCN=[N+]=[N-] 1883280097 DZTMJFGXWFXNAU-ZCFIWIBFSA-N 186.215 0.574 10 10 ACCE CC(=O)C(=O)C[C@@H]1CCCN1C 1951580564 FCBJMLSXBCNLND-QMMMGPOBSA-N 169.224 0.629 10 10 ACCE C[C@@]1(c2cc(O)ccc2O)CC(=O)N1 1951871130 XVORSQKCCJUETK-JTQLQIEISA-N 193.202 0.833 10 10 ACCE C[C@@H]1NCCN(CCN=[N+]=[N-])[C@@H]1C 1954207377 VGYWLZJCDBRKGZ-JGVFFNPUSA-N 183.259 0.979 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21 1956477243 YMHLRKUIPNLQQG-UYAYMFIHSA-N 196.246 0.942 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H](C1)[C@@H]2O 2241833956 SSEUZLIFRNWVQD-JIGDXULJSA-N 182.227 0.609 10 10 ACCE N[C@@H](CCO)c1c(O)cc(O)cc1O 44232146 OIIQHNISYRCKGI-LURJTMIESA-N 199.206 0.186 10 10 ACCE CCc1ccc(O)c([C@H](N)CN)c1 72200147 ADXCTJWCZPJAQV-SECBINFHSA-N 180.251 0.913 10 10 ACCE NC[C@@H](N)c1cc(F)c(F)cc1O 72200319 AMFKLAKRPDSVHJ-SSDOTTSWSA-N 188.177 0.629 10 10 ACCE Cc1cc(O)c([C@H](N)[C@H](C)O)c(O)c1 104487383 LIAAWAHUZULOQT-QUBYGPBYSA-N 197.234 0.787 10 10 ACCE O=C(O)/C(O)=C/O 113384686 XHDBNNIXWWTOFN-UPHRSURJSA-N 104.061 0.028 10 10 ACCE OC/C=C/c1ccc(O)c(O)c1O 166390623 GDXHFZBHPHNAJF-OWOJBTEDSA-N 182.175 0.809 10 10 ACCE CNC[C@](C)(O)c1ccc(O)c(O)c1 169060973 UIGSNQMFCVWRTM-JTQLQIEISA-N 197.234 0.525 10 10 ACCE [N-]=[N+]=NC[C@@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@H]1O 306628726 CWFJHYYBANENOV-HZLVTQRSSA-N 198.142 0.262 10 10 ACCE CC1(O)CN(CCCN=[N+]=[N-])C1 384045331 LDDYJIZDHMBQHZ-UHFFFAOYSA-N 170.216 0.753 10 10 ACCE NC(=O)C=Cc1cccc(O)c1O 1927746656 XRPMYKSWZAEMLA-UHFFFAOYSA-N 179.175 0.596 10 10 ACCE CO[C@H]1CC(=O)N(CCN=[N+]=[N-])C1 1953953681 PLKOXMMCKJEEGL-LURJTMIESA-N 184.199 0.544 10 10 ACCE CON(CCCCN=[N+]=[N-])C1CNC1 1957244501 QAHDPOUOFSJEMK-UHFFFAOYSA-N 199.258 0.912 10 10 ACCE CCCCCC(=O)C(=O)[C@H](O)CO 42922446 LEXQXYUWMJSICB-MRVPVSSYSA-N 188.223 0.058 10 10 ACCE NCCC(=O)c1ccc(O)c(O)c1 82873290 AFSNWXAOOQDAAN-UHFFFAOYSA-N 181.191 0.629 10 10 ACCE N[C@@H]1CCN[C@@H]1c1ccc(O)c(O)c1 84355469 CKQYUVGAGSRDKK-GMSGAONNSA-N 194.234 0.460 10 10 ACCE COC(=O)[C@@H]1O[C@@H](C)[C@@H]1N=[N+]=[N-] 211334455 YWXQWKHZEZAXFB-VAYJURFESA-N 171.156 0.626 10 10 ACCE [N-]=[N+]=NCCCC[C@H](O)C(=O)O 238668338 HNCXRURLKPKZMU-YFKPBYRVSA-N 173.172 0.913 10 10 ACCE CCOc1ccc(N(C)CNN)cc1 259138888 RGRZDXLXGGYBAX-UHFFFAOYSA-N 195.266 0.942 10 10 ACCE N#CNC(=O)c1cc(O)c(O)c(O)c1 1148589944 RMKVJURNGUWFCF-UHFFFAOYSA-N 194.146 0.014 10 10 ACCE C[C@@H](C(N)=O)N1CC[C@@H](N=[N+]=[N-])C1 1912200173 CXLRODGWEKJPMI-NTSWFWBYSA-N 183.215 0.245 10 10 ACCE [N-]=[N+]=NC1CN(C=O)C1 1912207471 OIGHJURAQOGBQC-UHFFFAOYSA-N 126.119 0.137 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@H]1C 1929213908 JHNORGSWWXFNAA-GZDOIFTASA-N 156.181 0.161 10 10 ACCE C[C@H](N)C1(c2cc(O)nc(O)c2)CC1 1952607009 HTRLCAJYBAYJDT-LURJTMIESA-N 194.234 0.872 10 10 ACCE Oc1cnn(-c2ccc(O)c(O)c2)c1 2069791390 GTNFIAWFUXHDMO-UHFFFAOYSA-N 192.174 0.989 10 10 ACCE CNC[C@@H]1OCc2c1ccc(O)c2O 29488437 BUFNZFOZGNITQB-VIFPVBQESA-N 195.218 0.889 10 10 ACCE N[C@H](CO)c1ccc2[nH]ccc2c1O 72197681 NOWVWLQJRBWWBB-MRVPVSSYSA-N 192.218 0.866 10 10 ACCE NC[C@@H](N)c1cc(N)c(F)cc1O 72200251 HPJGWNQVYNKHCF-SSDOTTSWSA-N 185.202 0.072 10 10 ACCE CN1C(=O)N=C(N)[C@H]1CN=[N+]=[N-] 87008798 FQGJHZNACHTJEF-GSVOUGTGSA-N 168.160 0.088 10 10 ACCE 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180.207 0.853 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCCNCC1 2242079329 DFQBOWSCIMSWRN-SNVBAGLBSA-N 199.250 0.039 10 10 ACCE Cc1cc(O)c(O)cc1N 82410579 WVOTUNBWAHOWAY-UHFFFAOYSA-N 139.154 0.988 10 10 ACCE CC(C)CN[C@H](CN=[N+]=[N-])C(N)=O 85621934 VUKPEMDZSKPPOS-ZCFIWIBFSA-N 185.231 0.396 10 10 ACCE C[C@@](N)(CO)c1ccccc1O 95748044 LQAYXDGWMSBLMR-SECBINFHSA-N 167.208 0.558 10 10 ACCE Cc1c(O)ccc([C@H](N)CCO)c1O 212169491 STOLOGWJPIVQJT-MRVPVSSYSA-N 197.234 0.788 10 10 ACCE Cc1ccc([C@](C)(N)O)c(O)c1C=O 238493492 WIPJZEHHIMIQOY-SNVBAGLBSA-N 195.218 0.637 10 10 ACCE Cc1c(C(=O)CN)ccc(O)c1O 238535923 IHJIYTNSTJXAHS-UHFFFAOYSA-N 181.191 0.548 10 10 ACCE O=C1N[C@@H]2c3[nH]ccc3C[C@@H]2/C1=C/O 238610081 RXMJEOSBFVXCJC-KQFVUNTQSA-N 190.202 0.800 10 10 ACCE NC(=O)C1CN(c2ccc(N)cc2)C1 306552337 KOIJQKVZCBBQMO-UHFFFAOYSA-N 191.234 0.190 10 10 ACCE Oc1ccc([C@@H]2C[C@@H](O)CO2)cc1O 1951856234 OVROUQINSGRRRS-XCBNKYQSSA-N 196.202 0.920 10 10 ACCE CO[C@H](C(=O)O)c1cc(O)nc(O)c1 1952136050 QJWBBNHTEJLYNH-ZETCQYMHSA-N 199.162 0.265 10 10 ACCE C[C@@H](NCCN)c1cc(O)ccc1O 37712446 LZCWMYIZHVRYRR-SSDOTTSWSA-N 196.250 0.707 10 10 ACCE Nc1cc(O)c(C(=O)O)s1 84227659 BIFRAPKWCPULMX-UHFFFAOYSA-N 159.166 0.734 10 10 ACCE C[C@@H](N)[C@H](O)CCc1ccc(N)cc1 107534938 LEGMKAZAOGSQOX-LDYMZIIASA-N 194.278 0.910 10 10 ACCE N[C@H]1C[C@@H]1c1ccc(O)c(O)c1 164278048 YZVQPNOCOJHXGZ-RQJHMYQMSA-N 165.192 0.912 10 10 ACCE CC1(C)O[C@H]2[C@H](N=[N+]=[N-])C[C@@H](O)[C@H]2O1 238193720 SFOBRJXNXTVDTL-MVIOUDGNSA-N 199.210 0.950 10 10 ACCE COC(=O)C[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1O 238343852 SBKCCBMMEARFHM-SHYZEUOFSA-N 199.210 0.999 10 10 ACCE C[C@H](N=[N+]=[N-])[C@@H]1C[C@H](O)[C@H](O)O1 307535174 QUBNAWGHFBWQOW-OMMKOOBNSA-N 173.172 0.153 10 10 ACCE CCOC(=O)N=NC(=O)NC 383976844 SLWOYVZDVLZICV-UHFFFAOYSA-N 159.145 0.935 10 10 ACCE [N-]=[N+]=NCC[S@](=O)[C@H]1CCOC1 703117821 XFYGYGUDIADQDW-QTTZVWFDSA-N 189.240 0.834 10 10 ACCE CCOC(=O)C1(N=[N+]=[N-])CCNCC1 1887598887 FZKAAYKCPSEWMA-UHFFFAOYSA-N 198.226 0.982 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@@H](CCN)C1 1933934289 ZABXQFWAEWXZES-WCBMZHEXSA-N 199.250 0.025 10 10 ACCE N[C@@H]1CO[C@H](c2cccc(O)c2O)C1 1952218957 KYMSDCRTSFJMTG-RCOVLWMOSA-N 195.218 0.887 10 10 ACCE N[C@@H]1CCO[C@H]1c1ccc(O)c(O)c1 1952307154 WHDFVGQQJKHQHI-XCBNKYQSSA-N 195.218 0.887 10 10 ACCE NC[C@@H]1C[C@H]1c1cc(O)nc(O)c1 1952606421 FAXYQLKVYWOHME-BQBZGAKWSA-N 180.207 0.555 10 10 ACCE C[C@@H](O)C(=O)NCCCCN=[N+]=[N-] 1963732078 GPINEVXJJXHTDB-ZCFIWIBFSA-N 186.215 0.574 10 10 ACCE CO[C@H]1CN[C@@H](CN=[N+]=[N-])OC1 2242438041 GORKOMQLTLRJDN-NTSWFWBYSA-N 172.188 0.258 10 10 ACCE [N-]=[N+]=NC[C@@H]1COCO1 34290289 RMNFKEURYWIDHP-SCSAIBSYSA-N 129.119 0.670 10 10 ACCE CC(C)(NCCN=[N+]=[N-])C(N)=O 85224519 BYXVAKUVGDCGHV-UHFFFAOYSA-N 171.204 0.150 10 10 ACCE [N-]=[N+]=N[C@H]1C(=O)N[C@@H]1C(F)(F)F 200511953 FXCWJZNYYGJGJE-NCGGTJAESA-N 180.089 0.726 10 10 ACCE [N-]=[N+]=NCCN1N=NN2CCN=C12 217969634 OQAOXEQNVQZMHE-UHFFFAOYSA-N 180.175 0.566 10 10 ACCE [N-]=[N+]=N[C@H](CO)c1cc[nH]n1 1535843739 BRMZGNNZHIITQG-RXMQYKEDSA-N 153.145 0.753 10 10 ACCE Nc1ccc(N2CC3(CCN3)C2)cc1 1888913221 ZUNYXGUERWQBAI-UHFFFAOYSA-N 189.262 0.821 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)[C@@H](C2CC2)C1 1912206712 UPSXFOMCDRDTNG-RKDXNWHRSA-N 196.254 0.999 10 10 ACCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H]1N 1954207211 SAYYPLKULJIFSY-SFYZADRCSA-N 183.259 0.966 10 10 ACCE OC[C@H]1NCCc2c(O)ccc(O)c21 75799331 ZQODEYVGFMYGOX-SSDOTTSWSA-N 195.218 0.277 10 10 ACCE O=C1C(=O)[C@@H]2CCCC[C@H]12 198976127 GZLDYIBNSZPGAR-OLQVQODUSA-N 138.166 0.945 10 10 ACCE C[C@H](CC(N)=O)Oc1ccc(N)cc1 220251515 BYEXJENEHSWPHQ-SSDOTTSWSA-N 194.234 0.912 10 10 ACCE CO[C@@H]1O[C@H]([C@H](C)N=[N+]=[N-])C[C@@H]1O 306448263 HSXARAAYUJTEEK-ZTYPAOSTSA-N 187.199 0.808 10 10 ACCE CS[C@H]1CC[C@@]1(O)C(=O)C(C)=O 1893807402 FJHLJAHRSKAROS-XPUUQOCRSA-N 188.248 0.401 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H](N)C1 1953758231 KGCJLYUAESYMLL-ZETCQYMHSA-N 169.232 0.720 10 10 ACCE S=C1CCNCC1 1615058 PBTQRAQASIUKBX-UHFFFAOYSA-N 115.201 0.740 10 10 ACCE CN/N=N/c1nc[nH]c1C(=O)OC 18113498 DENXXPHCWBFNER-UHFFFAOYSA-N 183.171 0.414 10 10 ACCE N[C@H]1CCc2c(ccc(O)c2O)[C@@H]1O 39212984 RJQPTDPYKKHYSV-CBAPKCEASA-N 195.218 0.405 10 10 ACCE NC[C@@H](N)c1cc(C(=O)O)ccc1O 72200469 UKJJFEFFCDUENE-SSDOTTSWSA-N 196.206 0.049 10 10 ACCE C[C@H](CN)Oc1ccc(N)cc1 82632855 CXNRMOPYQOWATH-SSDOTTSWSA-N 166.224 0.995 10 10 ACCE O=[N+]([O-])c1c(CO)ccc(O)c1O 104529086 OLAYODWDHPTDGW-UHFFFAOYSA-N 185.135 0.498 10 10 ACCE in-vitro C/C(=C\O)C(=O)O 104690790 KBXUTBMGSKKPFL-NSCUHMNNSA-N 102.089 0.533 10 10 ACCE C[C@@](CN)(CO)c1ccc(O)c(O)c1 107140088 CTBBCDYFWUYDQJ-SNVBAGLBSA-N 197.234 0.307 10 10 ACCE CN[C@H](C(N)=O)c1cc(F)ccc1O 234469103 JSPXKZFGITYARV-QMMMGPOBSA-N 198.197 0.277 10 10 ACCE COc1ccc(N2C[C@@H]2CN)cc1 259460107 WZCIYRHGQKTBIW-QHGLUPRGSA-N 178.235 0.843 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@@H](O)C[C@H](O)O1 306280669 CTXAAZSHFPRHBM-NGJCXOISSA-N 173.172 0.155 10 10 ACCE [N-]=[N+]=NC[C@@H]1CNCCOC1 1880476434 CKPWCYLLAZGGNW-LURJTMIESA-N 156.189 0.533 10 10 ACCE Cc1cccc(O)c1CNOCCO 1888315881 LMPDGIUEWSSJOK-UHFFFAOYSA-N 197.234 0.714 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H](C)O[C@@H]1C 1929226153 AEYUMJVDMFYPRV-KWPFTWCOSA-N 186.207 0.073 10 10 ACCE CC(=O)C(=O)[C@H](O)C1C[C@@H]2C[C@H]2C1 1929240102 HZFAFPDPXDXCQT-MHYGZLNHSA-N 182.219 0.552 10 10 ACCE Oc1cc([C@@H]2OCC[C@H]2O)cc(O)n1 1952678348 REWIFTRFUHWINW-MUWHJKNJSA-N 197.190 0.315 10 10 ACCE CNC[C@@H](C)N(C)CCN=[N+]=[N-] 1953751245 IVASFVSRZHANMO-SSDOTTSWSA-N 171.248 0.836 10 10 ACCE CN1CCc2cccc(O)c2[C@H]1CN 74269021 VFVMIVZHJLWFGW-SECBINFHSA-N 192.262 0.880 10 10 ACCE N[C@H]1COc2cc(C(=O)O)cc(O)c21 104678329 YWOFZKKVBWJVTI-YFKPBYRVSA-N 195.174 0.483 10 10 ACCE C[C@H](O)N=[N+]=[N-] 140957951 AGCPPSNKHQEFRX-REOHCLBHSA-N 87.082 0.635 10 10 ACCE O=CC(=O)c1ccc(O)c(O)c1 142859575 KAHDPCMFBOFNRC-UHFFFAOYSA-N 166.132 0.479 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@@H]1C=CCO1 214231337 LQPLJXJQEMWIFD-RITPCOANSA-N 155.157 0.613 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H](CO)[C@H]1F 306218928 PCHKPCWJHDEWOX-XZBKPIIZSA-N 189.190 0.624 10 10 ACCE [N-]=[N+]=NCC1OCN([N+](=O)[O-])CO1 687750423 SKHWYVWMQAEUAP-UHFFFAOYSA-N 189.131 0.078 10 10 ACCE CCN(CCN=[N+]=[N-])C(=O)CN(C)C 1887718037 RSQCCQVTXGQPTG-UHFFFAOYSA-N 199.258 0.707 10 10 ACCE CN1CC(CN2CC[C@H](N=[N+]=[N-])C2)C1 1897111932 ULTYUGCJWXGJOR-VIFPVBQESA-N 195.270 0.933 10 10 ACCE CCN(CC)CC(=O)NCCN=[N+]=[N-] 1912157693 UIPUPLZSKSVTHC-UHFFFAOYSA-N 199.258 0.755 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCC[C@H](CN)C1 1929217002 JAXDKNFDBLFQEG-WPRPVWTQSA-N 199.250 0.025 10 10 ACCE CC(=O)c1ccc(O)c(O)c1N 2055121480 DXEWJHALTRJBRE-UHFFFAOYSA-N 167.164 0.883 10 10 ACCE NC[C@H](N)c1ccc2c(c1O)OCO2 95770259 OCGWZHQETVULQG-LURJTMIESA-N 196.206 0.079 10 10 ACCE COC[C@@H](O)[C@@H](N)c1ccccc1O 95815919 NSVPCPQMRQFVKJ-ZJUUUORDSA-N 197.234 0.399 10 10 ACCE O=S(=O)=C1C=CC=CC1 115055204 VTILWYBQQRECER-UHFFFAOYSA-N 142.179 0.554 10 10 ACCE COc1cccc(CNN(C)C)c1O 134100449 FFNVYTJMYDSQGL-UHFFFAOYSA-N 196.250 0.967 10 10 ACCE C[C@H](N)c1cc(O)nc(O)c1 238423357 YQHBXDATFUOLRQ-BYPYZUCNSA-N 154.169 0.513 10 10 ACCE Cc1cc(N)cc([C@H](N)CO)c1O 238448883 LZJBWWJGEFNXLL-MRVPVSSYSA-N 182.223 0.275 10 10 ACCE NC[C@H](C(=O)O)c1cccc(O)c1O 258024801 IPGDMFFIXWBLSO-LURJTMIESA-N 197.190 0.225 10 10 ACCE CONCc1cccc(CO)c1O 258078164 MVRHZNMRFATPCY-UHFFFAOYSA-N 183.207 0.536 10 10 ACCE CC[C@@H](Nc1ccccc1N)C(N)=O 306350596 VRLGFVWBZKSUGF-MRVPVSSYSA-N 193.250 0.945 10 10 ACCE COC(=O)[C@@H]1C[C@H]1[C@H](O)CN=[N+]=[N-] 379340132 YDLMHPYQTOEGGG-HSUXUTPPSA-N 185.183 0.467 10 10 ACCE Oc1ccc(CC2CNC2)cc1O 1535860553 LQJSXATZDQKCIF-UHFFFAOYSA-N 179.219 0.860 10 10 ACCE [N-]=[N+]=N[C@H](CO)c1ccc(O)nn1 1951452617 BDDZPSMOGATWBU-RXMQYKEDSA-N 181.155 0.526 10 10 ACCE CC(=O)OC/N=N/COC(C)=O 5437772 PTCJTFARHUBUJI-BQYQJAHWSA-N 174.156 0.480 10 10 ACCE COC(=O)[C@H](O)Cc1ccc(N)cc1 59682371 WOAOGIXDEUIWQU-SECBINFHSA-N 195.218 0.345 10 10 ACCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@H]2C1=O 82924051 BNUMMNRTVHSZDN-SYDPRGILSA-N 180.167 0.302 10 10 ACCE Nc1ccc(Cc2nc(N)no2)cc1 83812114 OHBPQGMMASNHPK-UHFFFAOYSA-N 190.206 0.825 10 10 ACCE C[C@H]1CC[C@@H](C(=O)NCCN=[N+]=[N-])O1 88142825 BYQIJCSNBKVHOO-BQBZGAKWSA-N 198.226 0.980 10 10 ACCE CNC(=O)CCN(C)CCN=[N+]=[N-] 234350439 KFXHEFYZQBQNIA-UHFFFAOYSA-N 185.231 0.365 10 10 ACCE Cn1c(=O)n(C)c2c(O)c(O)ccc21 238525634 NJDJWMWVENYXGD-UHFFFAOYSA-N 194.190 0.288 10 10 ACCE C1=CC2=S=C=CC2=S=1 328579144 VRUHHIXPGOICBE-UHFFFAOYSA-N 138.216 0.739 10 10 ACCE in-vitro N[C@@H]1COc2ccc([N+](=O)[O-])c(O)c21 713731916 MYUJWJZSWMDSFW-SCSAIBSYSA-N 196.162 0.693 10 10 ACCE Cc1ccc2c(c1O)[C@@](N)(CO)CC2 713752120 BDNZZKYXTCLTBE-NSHDSACASA-N 193.246 0.793 10 10 ACCE Oc1ccc([C@H]2NCCO2)cc1O 953124163 STODLGBQYKDYGP-VIFPVBQESA-N 181.191 0.716 10 10 ACCE [N-]=[N+]=N[C@H]1CCN([C@H]2CCNC2=O)C1 1912185341 OMYJKZXVWYANLF-BQBZGAKWSA-N 195.226 0.260 10 10 ACCE C[C@](N)(C(=O)O)c1cc(F)ccc1O 104503039 LWLUGGJWUNWBCG-SECBINFHSA-N 199.181 0.790 10 10 ACCE CCOC(CC(=O)C(C)=O)OCC 122639446 RZUADPVZPXXPGE-UHFFFAOYSA-N 188.223 0.934 10 10 ACCE CCC(=C\C(=O)OC)/N=N/C(N)=O 149520041 RUBYVQKTPFLQID-CMBSKSBMSA-N 185.183 0.984 10 10 ACCE COC[C@@H](CN)N=[N+]=[N-] 222868313 HFYDHAAOTVAFEQ-SCSAIBSYSA-N 130.151 0.270 10 10 ACCE Cc1ccc2c(c1)NC(=O)C(=O)C2=O 238512467 PJJLJALBHHCKBV-UHFFFAOYSA-N 189.170 0.699 10 10 ACCE [N-]=[N+]=N[C@H]1CCCO[C@H]1CO 238668432 ZWQQURSXOUHYCR-WDSKDSINSA-N 157.173 0.837 10 10 ACCE [N-]=[N+]=NCCCSCC(N)=O 300863591 VSOAWCZZNHYDDH-UHFFFAOYSA-N 174.229 0.905 10 10 ACCE CCN(CC)C[C@H](O)CN=[N+]=[N-] 379317924 IJEHAGOICFHTID-SSDOTTSWSA-N 172.232 0.999 10 10 ACCE CCOC1=C(NN=N)N=C=C=N1 885274919 CINODSDSWYSJBP-UHFFFAOYSA-N 165.156 0.594 10 10 ACCE CC1=C=[N+](CCNN=N)C(C)=N1 885277811 YNQWKZGCSQXJET-UHFFFAOYSA-N 166.208 0.540 10 10 ACCE CON(CCCN=[N+]=[N-])[C@H]1CCNC1 1884804148 OQAAVMFATWOHHY-QMMMGPOBSA-N 199.258 0.912 10 10 ACCE CN1C[C@@H](N(C)CCN=[N+]=[N-])CC1=O 1887641575 JAGGOFOHNXNUBM-ZETCQYMHSA-N 197.242 0.459 10 10 ACCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@H]1C2 1929128120 AHOYSTAYNLQQFJ-OYNCUSHFSA-N 182.219 0.696 10 10 ACCE CCn1nccc1[C@@H](O)C(=O)C(C)=O 1929168249 RJGKCIHRTQCCNL-SECBINFHSA-N 196.206 0.095 10 10 ACCE NCC1(c2cc(O)nc(O)c2)CCC1 1952365124 NLGKOIQSNBBNIA-UHFFFAOYSA-N 194.234 0.873 10 10 ACCE Nc1ccc(CC(=O)O)c(O)c1O 2055120230 FMVYIFGACYYAGK-UHFFFAOYSA-N 183.163 0.307 10 10 ACCE [N-]=[N+]=NCCN[C@H](C(=O)O)C1CC1 85223624 KNZUJHKLGOMQQK-LURJTMIESA-N 184.199 0.750 10 10 ACCE CC[C@H](NCCN=[N+]=[N-])C(=O)OC 85223948 ULUTVSXYDDWTGQ-LURJTMIESA-N 186.215 0.838 10 10 ACCE C[C@](O)(CO)c1ccc(O)c(CN)c1 238448979 KBRPXITUYNPUDS-JTQLQIEISA-N 197.234 0.051 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@H]1C[C@@H](O)[C@H](O)O1 307654301 QUBNAWGHFBWQOW-KVTDHHQDSA-N 173.172 0.153 10 10 ACCE NCc1cc([N+](=O)[O-])cc(CN)c1O 687727476 LQEOVORFFBYGQI-UHFFFAOYSA-N 197.194 0.218 10 10 ACCE C[C@H]1CCN(CCN=[N+]=[N-])[C@H]1C(N)=O 1912188643 QAWHWUOAUWEQNJ-NKWVEPMBSA-N 197.242 0.492 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@H]1C 1929193072 LPAVXTBIMCVMDU-XRGYYRRGSA-N 156.181 0.306 10 10 ACCE COc1nccnc1[C@@H](CO)N=[N+]=[N-] 1951435243 COUNRTIAECELRP-RXMQYKEDSA-N 195.182 0.829 10 10 ACCE Nc1ccc(NS(=O)(=O)O)cc1 34596861 ZBTRTXLGWIKSMO-UHFFFAOYSA-N 188.208 0.484 10 10 ACCE CC(C)[C@@H](NCCN=[N+]=[N-])C(N)=O 85224493 UJJZAYUPVVGAIX-ZCFIWIBFSA-N 185.231 0.396 10 10 ACCE [N-]=[N+]=NCCN[C@@H](CN=[N+]=[N-])C(N)=O 85622415 VKCSCJQGAYYBLY-BYPYZUCNSA-N 198.190 0.051 10 10 ACCE Nc1ccc(N[C@H](CO)C(=O)O)cc1 196819610 GCISFJHGPNIJDH-MRVPVSSYSA-N 196.206 0.126 10 10 ACCE C[C@@H](CO)[C@@H](O)CN=[N+]=[N-] 213013821 DQHFPMCTRFILIX-WHFBIAKZSA-N 145.162 0.286 10 10 ACCE OC/C=C\c1ccc(O)c(O)c1O 213100857 GDXHFZBHPHNAJF-UPHRSURJSA-N 182.175 0.809 10 10 ACCE CN1Cc2c(O)cccc2CC1=O 213471206 GFZBBSMXXCRGFV-UHFFFAOYSA-N 177.203 0.907 10 10 ACCE O=C1C(=O)[C@H]2C[C@H]1[C@H]1CC=C[C@H]21 307358524 YVYRITKJYWWXBF-XAMCCFCMSA-N 162.188 0.967 10 10 ACCE CC1(C)O[C@@H]2[C@@H](N=[N+]=[N-])C[C@@H](O)[C@H]2O1 307412144 SFOBRJXNXTVDTL-BDVNFPICSA-N 199.210 0.950 10 10 ACCE Cn1ccc(/C=C\[N+](=O)[O-])cc1=O 1082509720 UHQLCTPBBVCWAX-HYXAFXHYSA-N 180.163 0.633 10 10 ACCE C[C@@H](C(=O)O)N1CC[C@H](N=[N+]=[N-])C1 1912143952 MIVMMFZTQNZCAE-WDSKDSINSA-N 184.199 0.844 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H]1CCC=CO1 1918992254 OKPDUTTUHKIVHQ-APPZFPTMSA-N 184.191 0.198 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H](C)C1CC1 1930105070 NPFRXGLSKRAKMV-XNCJUZBTSA-N 170.208 0.552 10 10 ACCE COC(=O)Cc1cc(N)cc(O)c1O 2055380155 MLMYMRKFFCTOGJ-UHFFFAOYSA-N 197.190 0.396 10 10 ACCE C/N=N/NC(C)C 5760355 YLGRFAHAPKIPKG-UHFFFAOYSA-N 101.153 0.981 10 10 ACCE Cc1ccc([C@H](N)CO)c(O)c1F 72197540 WEJKWUPIYCQHEC-SSDOTTSWSA-N 185.198 0.832 10 10 ACCE [N-]=[N+]=NC[C@H](C(=O)O)N(C=O)C1CC1 85622398 WEOKDYISOUSHJE-ZCFIWIBFSA-N 198.182 0.371 10 10 ACCE CO[C@H]1C=CC(N)=CC1=S 150070693 RTNRWPAJDZKOBP-LURJTMIESA-N 155.222 0.784 10 10 ACCE Cc1cccc([C@@](C)(N)C(=O)O)c1O 221185250 IEOCMMHULJJPLK-SNVBAGLBSA-N 195.218 0.959 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@H]1CCC(=O)O1 238707545 ZLJGVKSWKYTPGB-RFZPGFLSSA-N 171.156 0.363 10 10 ACCE O=C(O)c1cc(O)c(O)cc1CO 259712279 LDUMKSUOEVRFLP-UHFFFAOYSA-N 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[N-]=[N+]=C(C(N)=O)c1ccccc1 39135642 NQLJERHNWNAHHK-UHFFFAOYSA-N 161.164 0.191 10 10 ACCE O=C(NCCO)c1cscc1O 137459743 JSKRQPPQAVHVRS-UHFFFAOYSA-N 187.220 0.176 10 10 ACCE CO[C@@]1(CO)C=C[C@](C)(OC)O1 196216685 XVCQEILVGMOAAT-SFYZADRCSA-N 174.196 0.270 10 10 ACCE O=C1C(=O)[C@@H]2CCCC[C@@H]12 198976110 GZLDYIBNSZPGAR-PHDIDXHHSA-N 138.166 0.945 10 10 ACCE [N-]=[N+]=NC[C@H]1CC[C@@H](C(=O)O)O1 238662268 DEEUKBFVTQMSDV-UHNVWZDZSA-N 171.156 0.929 10 10 ACCE COC(=O)[C@]1(N=[N+]=[N-])CCC[C@H]1O 238800592 OGZXXAIFRLNOFQ-VDTYLAMSSA-N 185.183 0.753 10 10 ACCE O=Cc1cc(O)c(O)c(CO)c1 642879413 MCXVEXPWHPMSTJ-UHFFFAOYSA-N 168.148 0.403 10 10 ACCE C[S@](=O)N1CC[C@H](CN=[N+]=[N-])C1 885528203 MSINJCWAYMEVIQ-INWYIAFRSA-N 188.256 0.912 10 10 ACCE CN(C)Cc1cc(C(=N)N)ccc1O 1535712195 PXJUHWICJPNYKG-UHFFFAOYSA-N 193.250 0.738 10 10 ACCE O=C(O)[C@H](O)c1cccc(O)c1O 34283547 AQULTZMTCLLZBM-SSDOTTSWSA-N 184.147 0.216 10 10 ACCE CCOC(=O)C(=N)C(C)=O 39069228 MICBCMYPYOMOPJ-UHFFFAOYSA-N 143.142 0.158 10 10 ACCE 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13350968 VAWDXOCBSZJIEL-UHFFFAOYSA-N 196.206 0.629 10 10 ACCE endogenous,in-man [N-]=[N+]=NCCN1CC[C@@H](O)C1 61711444 UCESGUURJMFEPE-ZCFIWIBFSA-N 156.189 0.363 10 10 ACCE O=C1CCC(F)(F)C1=O 114169482 AFNMRGXZECEEEN-UHFFFAOYSA-N 134.081 0.554 10 10 ACCE C[C@H]1C[C@H](C)C(=O)C(=O)C1=O 115259287 PAVQFHOOCHTWAJ-WHFBIAKZSA-N 154.165 0.370 10 10 ACCE COc1ccn(CCN=[N+]=[N-])c(=O)n1 222801939 VFSDUCKNKLBSAG-UHFFFAOYSA-N 195.182 0.562 10 10 ACCE COC[C@@H](N)c1c(O)cccc1CO 238375626 MSZSCIHZPQGVTO-MRVPVSSYSA-N 197.234 0.531 10 10 ACCE Cc1cc([C@@H](N)CN)c(O)cc1F 238512517 HOZIGSIMKPZOCU-QMMMGPOBSA-N 184.214 0.798 10 10 ACCE [N-]=[N+]=NCC(=O)NN1CCCC1 238637844 PRMHITMOMJDGFP-UHFFFAOYSA-N 169.188 0.424 10 10 ACCE C[C@H]1NCCN(CCN=[N+]=[N-])[C@@H]1C 1954207376 VGYWLZJCDBRKGZ-HTQZYQBOSA-N 183.259 0.979 10 10 ACCE [N-]=[N+]=NC/C=C/CO 59493441 FOIHDXAVAMSXJM-OWOJBTEDSA-N 113.120 0.845 10 10 ACCE COc1cc(C)c(O)c([C@H](N)CO)c1 72197813 WIUVLCIZGVFQKK-SECBINFHSA-N 197.234 0.701 10 10 ACCE [N-]=[N+]=NCC(=O)NC(=O)NC1CC1 104702467 UJFAOQYCVJWPIZ-UHFFFAOYSA-N 183.171 0.285 10 10 ACCE [N-]=[N+]=N[C@H]1CC2(CC[C@@H]1O)OCCO2 130767872 KFCLTIIKGNGKLE-BQBZGAKWSA-N 199.210 0.953 10 10 ACCE CN1CCc2cc(CNC=O)ccc21 169806143 LYUDSZPYSZFWLZ-UHFFFAOYSA-N 190.246 0.925 10 10 ACCE [N-]=[N+]=N[C@@H]1CC/C=C/[C@@H](CO)NC1=O 216655358 WOPSCKNASRPIPA-YPIXSHMWSA-N 196.210 0.492 10 10 ACCE Oc1cc(O)c([C@H]2CCNC2)cc1O 238719633 IAJDHHNPXNNODS-LURJTMIESA-N 195.218 0.880 10 10 ACCE CN1CC[C@@H](C(=O)NCCN=[N+]=[N-])C1 386493013 YWCGNMIZULHIQB-SSDOTTSWSA-N 197.242 0.365 10 10 ACCE CCN(CC)C(=O)N=NC(N)=O 387619914 HEUNQJXHCNRMCH-UHFFFAOYSA-N 172.188 0.979 10 10 ACCE Nc1ccccc1N[C@@H]1CCNC1=O 606263545 RYVKOTKOBCGWDC-SECBINFHSA-N 191.234 0.569 10 10 ACCE CC(=O)C(=O)[C@H](O)c1nccs1 1929142722 RKDFIHKLPXKUQM-LURJTMIESA-N 185.204 0.335 10 10 ACCE O=C1C[C@H](c2ccc(O)cc2O)N1 1951660236 MLHUSCBDDVRLRQ-SSDOTTSWSA-N 179.175 0.659 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CCNC[C@@H]2C1 1957242464 AKXIPMBDBGDVHG-RKDXNWHRSA-N 195.270 0.838 10 10 ACCE CC1=NNC(=C2C=C=S=C2)O1 2060380633 LNWDONXLUZRYSQ-UHFFFAOYSA-N 166.205 0.658 10 10 ACCE CCCCCOc1nnc(=N)[nH]n1 2209172283 BEXUCHXJUMEJGM-UHFFFAOYSA-N 183.215 0.248 10 10 ACCE CN1CCN[C@@H](c2ccccc2O)C1 76187643 UBOJGWCGNHIVTP-SNVBAGLBSA-N 192.262 0.968 10 10 ACCE [N-]=[N+]=NCCNC1(C(N)=O)CCCC1 85224507 VKQRHMPHSWYGJP-UHFFFAOYSA-N 197.242 0.684 10 10 ACCE C[C@](N)(CO)c1cccc(N)c1O 104451897 CRYXHDOWAXNALM-VIFPVBQESA-N 182.223 0.141 10 10 ACCE Cc1cc(F)cc([C@@H](N)C(=O)O)c1O 107367406 DOCONIAAOBTJJE-SSDOTTSWSA-N 199.181 0.924 10 10 ACCE Cc1cc(O)c(C(N)=O)s1 211958707 QGZHXWSHLIFAQK-UHFFFAOYSA-N 157.194 0.861 10 10 ACCE O=C1CCc2cc(O)c(O)c(O)c21 238722965 ANWFCLQPNIIAFT-UHFFFAOYSA-N 180.159 0.932 10 10 ACCE C[C@@H]1O[C@H](O)[C@H](O)C[C@@H]1N=[N+]=[N-] 307435604 OFLUOTKWMHZPMM-AZGQCCRYSA-N 173.172 0.153 10 10 ACCE CN1CC[C@@H](N(C)CCN=[N+]=[N-])C1 308329004 JCXWILHMYUEDEC-MRVPVSSYSA-N 183.259 0.933 10 10 ACCE [N-]=[N+]=NCCN1CC(n2ccnn2)C1 1956760902 GVGLJTMNGCBGMA-UHFFFAOYSA-N 193.214 0.445 10 10 ACCE CCN[C@H](CN=[N+]=[N-])C(=O)OCC 85622079 QXZQCLNPFXWGBP-ZCFIWIBFSA-N 186.215 0.838 10 10 ACCE COC(CC(=O)C(C)=O)OC 122638016 YLGVONFAIGRLPB-UHFFFAOYSA-N 160.169 0.154 10 10 ACCE C[C@]12C[C@H]1C(=O)N(CCN=[N+]=[N-])C2=O 1912165732 OGITUZZOMFWMLK-XNCJUZBTSA-N 194.194 0.692 10 10 ACCE C[S@@](=O)N1CC[C@H](N=[N+]=[N-])C1 1912169118 HWYAVMLCPDTPJI-ULHQUTTKSA-N 174.229 0.665 10 10 ACCE CNCC[C@@H](O)c1ccc(O)c(O)c1 13539976 JOQNETLDVXJCRI-MRVPVSSYSA-N 197.234 0.741 10 10 ACCE CN[C@H](CO)c1cc(C)ccc1O 104524615 RYVCBZJAULQSLM-SECBINFHSA-N 181.235 0.953 10 10 ACCE [N-]=[N+]=NCC[C@H]1C[C@H](O)CC(=O)O1 215223677 VBMLVAQQMQCWMI-WDSKDSINSA-N 185.183 0.753 10 10 ACCE C[C@H](C(=O)O)[C@H](O)CN=[N+]=[N-] 215619421 HSCABXLQWUDSSY-IUYQGCFVSA-N 159.145 0.378 10 10 ACCE C[C@H](N=[N+]=[N-])[C@H](N)C(=O)O 238459349 VFSRYBKOKKWXQW-HRFVKAFMSA-N 144.134 0.097 10 10 ACCE COC(=O)CCN1CC[C@H](N=[N+]=[N-])C1 1912183301 NOEKQHIXYMVBCT-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H](CO)[C@@H]2C1 1957215559 CSLGQAGFFYBOIZ-XHNCKOQMSA-N 196.254 0.857 10 10 ACCE COC(=O)[C@@H](O)Cc1ccc(N)cc1 59682373 WOAOGIXDEUIWQU-VIFPVBQESA-N 195.218 0.345 10 10 ACCE NOCc1c(F)ccc(O)c1O 258020236 OAPFMWJVZKWKAG-UHFFFAOYSA-N 173.143 0.627 10 10 ACCE N[C@]1(CO)CCc2c(O)ccc(O)c21 713763209 SXXVTJFOSWWPIZ-JTQLQIEISA-N 195.218 0.190 10 10 ACCE Cn1nncc1CCN=[N+]=[N-] 1535694985 YZNSITVYONOHAB-UHFFFAOYSA-N 152.161 0.668 10 10 ACCE Nc1ccccc1N[C@@H]1CCONC1 1888921036 FJVLPQRMHYJLPJ-MRVPVSSYSA-N 193.250 0.974 10 10 ACCE [N-]=[N+]=NCCN1C[C@H](O)C2(CC2)C1 1912205279 NXFSDPICSOUSKU-ZETCQYMHSA-N 182.227 0.753 10 10 ACCE CC(=O)C(=O)[C@H](O)C1C[C@H]2C[C@@H]2C1 1929240100 HZFAFPDPXDXCQT-BRDIYROLSA-N 182.219 0.552 10 10 ACCE [N-]=[N+]=NCCCN1CCN[C@@H]2C[C@@H]21 1954206923 NRDORDLEKDGIAN-SFYZADRCSA-N 181.243 0.733 10 10 ACCE CO[C@H]1C[C@H](CN)N(CCN=[N+]=[N-])C1 1957243894 JHCMHDHLFGEIHH-SFYZADRCSA-N 199.258 0.345 10 10 ACCE NNCc1ccc2cccnc2c1O 75579142 XDZSWTASIAXCQY-UHFFFAOYSA-N 189.218 0.904 10 10 ACCE CC(C)(O)[C@@H](N)c1ccc(O)c(O)c1 84360974 ADJNWRLKPWMJDO-VIFPVBQESA-N 197.234 0.869 10 10 ACCE [N-]=[N+]=NC[C@@H]1OCCC[C@@H]1O 210801695 LARQLRIDIQQNPR-WDSKDSINSA-N 157.173 0.837 10 10 ACCE COc1ccc(O)c(CN)c1OC 213051678 QMHUXAATCGXGAB-UHFFFAOYSA-N 183.207 0.868 10 10 ACCE COC(=O)CC[C@H](CNO)N=[N+]=[N-] 238350602 SVVFDZNROUEKBQ-RXMQYKEDSA-N 188.187 0.597 10 10 ACCE [N-]=[N+]=NCCOCCCN 238569607 FUUDKXKHJULRIY-UHFFFAOYSA-N 144.178 0.662 10 10 ACCE N[C@H](CCO)c1sccc1O 238679294 RWTQNIINYYYXPV-RXMQYKEDSA-N 173.237 0.836 10 10 ACCE NC(=S)Cc1ccc(O)c(O)c1O 1535829604 IOPNMKZMPVLTIB-UHFFFAOYSA-N 199.231 0.632 10 10 ACCE C[C@@H](CON)c1cc(O)c(O)c(O)c1 1952184933 NWNMQICOKGXIHZ-YFKPBYRVSA-N 199.206 0.797 10 10 ACCE [N-]=[N+]=NC[C@H]1C[C@@H]1CN 1953145872 OJTLJLCBXXLAGI-RFZPGFLSSA-N 126.163 0.892 10 10 ACCE CC1(C)CN(CCN=[N+]=[N-])CCN1 1954207920 DWAJGNSSYMVQTG-UHFFFAOYSA-N 183.259 0.981 10 10 ACCE N[C@H](CCO)c1cccc(O)c1O 44232114 AAWKWDVSZQSUHT-SSDOTTSWSA-N 183.207 0.480 10 10 ACCE Nc1cc(F)cc([C@H](N)CO)c1O 72197574 OGWXRWHQIUQAQA-SSDOTTSWSA-N 186.186 0.106 10 10 ACCE CN(C)C(=O)/N=N\C(=O)N(C)C 100005746 VLSDXINSOMDCBK-FPLPWBNLSA-N 172.188 0.802 10 10 ACCE in-vitro [N-]=[N+]=NC[C@]1(O)C=C[C@H]2CO[C@@H]1O2 238726221 BNOICXKBSVJUSJ-RRKCRQDMSA-N 183.167 0.339 10 10 ACCE COC(=O)[C@@H](CCN=[N+]=[N-])OC 385872610 ZQMVDRNLTGEEKW-RXMQYKEDSA-N 173.172 0.875 10 10 ACCE N[C@@]1(CO)CCCc2cccc(O)c21 713803032 FGUYXACXVJAKRO-LLVKDONJSA-N 193.246 0.875 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](O)C[C@@H]1CN 1885594265 KWDVPZZMKSRVQQ-HTQZYQBOSA-N 199.258 0.081 10 10 ACCE CC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912157408 SQJYDVGVGHSNJW-LURJTMIESA-N 154.173 0.918 10 10 ACCE CC[C@@H](OC)C(=O)CC(=O)C(C)=O 1924131814 HODSOADNZOJNGN-SECBINFHSA-N 186.207 0.529 10 10 ACCE CC[C@]1(C)OCCC(=O)C1=O 1934146430 SYNJXWPZVQDKRE-QMMMGPOBSA-N 156.181 0.714 10 10 ACCE Oc1c(F)cccc1[C@@H]1C[C@H](O)CN1 1952070613 LVWULPSRTSUKMU-RCOVLWMOSA-N 197.209 0.927 10 10 ACCE COc1cccc([C@H](N)CO)c1O 72197472 UKIURAQTTNJVFG-SSDOTTSWSA-N 183.207 0.393 10 10 ACCE CC(=O)C(=O)CC(=O)c1cccnc1 122640205 CVVGBIJYVRLWCC-UHFFFAOYSA-N 191.186 0.813 10 10 ACCE Cc1cc(O)c(O)cc1[S@](=O)O 257810052 AAVWKGRJOQRVBD-UHFFFAOYSA-N 188.204 0.987 10 10 ACCE CC[S@@](=O)NCCN=[N+]=[N-] 307396600 PEMOTRIVVYOAFU-SNVBAGLBSA-N 162.218 0.570 10 10 ACCE C[C@@H]1COC[C@@H]1C(=O)NCCN=[N+]=[N-] 705268578 PCLBPRFCUGWCQV-RQJHMYQMSA-N 198.226 0.695 10 10 ACCE COC(OC)[C@H](CO)N=[N+]=[N-] 1535675449 PNEWLTLWEUSSPD-BYPYZUCNSA-N 161.161 0.277 10 10 ACCE CO[C@@H]1CC[C@](O)(C(=O)C(C)=O)C1 1882754655 RNOMWNVQNATPOH-VXNVDRBHSA-N 186.207 0.075 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)[C@H](F)C1 1912194415 KSWWKEXLQUISHZ-PHDIDXHHSA-N 174.179 0.311 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CCC=CO1 1918992257 OKPDUTTUHKIVHQ-VXNVDRBHSA-N 184.191 0.198 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1CC12CC2 1929223142 CNVWSBXNFPXEQH-XPUUQOCRSA-N 168.192 0.306 10 10 ACCE O=[N+]([O-])Cc1cc(O)nc(O)c1 1952068437 OMNOLFWOJFDWST-UHFFFAOYSA-N 170.124 0.270 10 10 ACCE C[C@@H]1[C@@H]2CNC[C@H]2CN1CCN=[N+]=[N-] 1957248170 BHRGUZTUPDLGOW-VGMNWLOBSA-N 195.270 0.836 10 10 ACCE Cn1c(CN)ccc1-c1cncnc1 74277163 MIZQOYMOQIDQCJ-UHFFFAOYSA-N 188.234 0.941 10 10 ACCE COC(=O)CCC(=O)C(C)=O 167283711 RBUNUINLVBTALQ-UHFFFAOYSA-N 158.153 0.098 10 10 ACCE CC(=C\C(=O)O)/N=N/C(N)=O 214477427 BUJQLUTXGLGCNP-BSMXIPCLSA-N 157.129 0.506 10 10 ACCE CS(C)=C1C(=O)CCC1=O 238398055 SQZLQALQHNKXQP-UHFFFAOYSA-N 158.222 0.619 10 10 ACCE [N-]=[N+]=N[C@@H]1CNOC1 238596057 NIPUFMAZFKGSPB-GSVOUGTGSA-N 114.108 0.200 10 10 ACCE Nc1ccc(-n2cc(CO)cn2)cc1 238607271 CWOXWTVWSMAHDY-UHFFFAOYSA-N 189.218 0.947 10 10 ACCE N[C@H](CC(=O)O)c1c(O)cccc1O 238621146 SQBXZZJNYREILT-RXMQYKEDSA-N 197.190 0.572 10 10 ACCE C[C@@H](C[N+](=O)[O-])N=[N+]=[N-] 687748461 BNNONMPCRUHBLF-VKHMYHEASA-N 130.107 0.962 10 10 ACCE CCNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1 709926923 AHUTUFUXQGSAQJ-WDSKDSINSA-N 183.215 0.163 10 10 ACCE CCn1cncc1[C@@H](O)C(=O)C(C)=O 1929169007 AMRYSCINNQAJFR-SECBINFHSA-N 196.206 0.095 10 10 ACCE [N-]=[N+]=C1CCCC1=O 96332110 LDWKOSPMPJEFHE-UHFFFAOYSA-N 110.116 0.410 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@@H](F)CCO[C@H]1CO 306483003 KHBQYGRCBVANBQ-HCWXCVPCSA-N 175.163 0.785 10 10 ACCE C[S@@](=O)NCCCN=[N+]=[N-] 306741840 FCILZLGSLZXDJN-SNVBAGLBSA-N 162.218 0.570 10 10 ACCE [N-]=[N+]=NC=C(C(=O)O)C(=O)O 307169884 ZHPBMMNJRWQZFH-UHFFFAOYSA-N 157.085 0.350 10 10 ACCE Nc1ccccc1N[C@@H]1COC[C@@H]1N 1888898863 UNVKCTANPDECLG-WCBMZHEXSA-N 193.250 0.407 10 10 ACCE [N-]=[N+]=NCCN1CC([C@H]2CCNC2)C1 1892834510 NOOHHBINWQJIKK-QMMMGPOBSA-N 195.270 0.838 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2CC[C@@H]21 1929226476 CSHOKGXIEHAXTP-NRPADANISA-N 182.219 0.696 10 10 ACCE [N-]=[N+]=NCCN1CC=C[C@H](O)C1 1953634377 PLUDADVVVMTOFS-ZETCQYMHSA-N 168.200 0.529 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])[C@H](C)CN1 1954206491 HIVDQAKXYGNMDQ-HTQZYQBOSA-N 183.259 0.979 10 10 ACCE Nc1ccc(N[C@@H]2COC(=O)C2)cc1 2242581230 QXLABISENIJZBG-VIFPVBQESA-N 192.218 0.996 10 10 ACCE COc1cccc([C@H](N)CCO)c1O 44232098 RUFMGNQESPEFBT-MRVPVSSYSA-N 197.234 0.783 10 10 ACCE CC(=O)[C@@H](N)c1cc(O)c(O)c(O)c1 58568358 QTGVGFRAISCCLK-MRVPVSSYSA-N 197.190 0.392 10 10 ACCE CCOc1cccc([C@@H](N)CO)c1O 72197806 FNOLIHCKBMDYCK-QMMMGPOBSA-N 197.234 0.783 10 10 ACCE NC1(c2cc(F)c(O)nc2O)CC1 104682964 GDFRORUSSIXMMC-UHFFFAOYSA-N 184.170 0.580 10 10 ACCE C/N=N\CNC 104710126 OPDMCPOKKJJOLH-WAYWQWQTSA-N 87.126 0.245 10 10 ACCE C[N+]1=C[C@H](O)c2cc(O)c(O)cc21 137705279 SQGALJXRAIKYRO-VIFPVBQESA-O 180.183 0.489 10 10 ACCE CO[C@@H]1O[C@@H](CN=[N+]=[N-])C[C@H]1O 306335147 SGKDNZHDYPIAMA-HSUXUTPPSA-N 173.172 0.419 10 10 ACCE COc1ccc(CNN)c(O)c1 1535853045 UUMDCTIMLQZUBC-UHFFFAOYSA-N 168.196 0.364 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(C(=O)C2COC2)C1 1884428700 KYVPYAOPIYNRKW-ZETCQYMHSA-N 196.210 0.544 10 10 ACCE [N-]=[N+]=NC1CN(C[C@H]2CCC(=O)N2)C1 1912197615 WNWZHKQNLIBPKU-ZCFIWIBFSA-N 195.226 0.260 10 10 ACCE CC(=O)C(=O)[C@](O)(C(C)C)C1CC1 1929174351 IIZWFPOEOXRZDN-JTQLQIEISA-N 184.235 0.942 10 10 ACCE CC(=O)C(=O)CCN(C)C(C)C 1951733765 PFUZGOFZPGDQQV-UHFFFAOYSA-N 171.240 0.875 10 10 ACCE C[C@H](CO)NCc1ccc(O)cc1O 35603489 BNYJAIXYWXNVNH-SSDOTTSWSA-N 197.234 0.568 10 10 ACCE C[C@@H](N)c1c(O)cc(O)cc1O 71452054 WQAQHGZENQYBDP-SCSAIBSYSA-N 169.180 0.823 10 10 ACCE CCN[C@@H](CN=[N+]=[N-])C(=O)O 85622047 UDXBKCBTENSELE-BYPYZUCNSA-N 158.161 0.359 10 10 ACCE NC1=CC(=S)C(N)=CC1=S 115745939 HCQMESOFNXNWTD-UHFFFAOYSA-N 170.262 0.425 10 10 ACCE [N-]=[N+]=N[C@H]1COC=C[C@@H]1O 141643443 VDIMAQQTSQAVOT-WHFBIAKZSA-N 141.130 0.570 10 10 ACCE CC(=O)C(=O)NCc1ccc(N)cc1 169808304 ZNDDPMZDDLCHTA-UHFFFAOYSA-N 192.218 0.474 10 10 ACCE COc1cc(O)c(CN)cc1F 211982871 NWHGFLMAQAESKN-UHFFFAOYSA-N 171.171 0.999 10 10 ACCE CO[C@@H](CN=[N+]=[N-])N1CCCC1=O 238380776 NXUGDDKQQGHQIN-ZETCQYMHSA-N 184.199 0.892 10 10 ACCE CC[C@H](N)[C@H](N)c1ccc(O)cc1O 307521365 ZGOMKKGILVCJRA-WCBMZHEXSA-N 196.250 0.835 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccc(F)cn1 1929179389 HUYKNEYNKYHQTM-SECBINFHSA-N 197.165 0.412 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@@H]2CC[C@@H]2C1 1931819902 HFLXWFQDNUYLQZ-DIYOJNKTSA-N 182.219 0.696 10 10 ACCE Nc1ccc(O)c([C@@H](N)CC(=O)O)c1 104474943 PQNNYKRXUUYZDH-ZETCQYMHSA-N 196.206 0.449 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2N=CC(=O)O[C@@H]2C1 238594736 JQUAEKQXUJAJAI-NGJCXOISSA-N 180.167 0.824 10 10 ACCE NCC[C@@H](N)c1ccccc1O 306566055 FVRUENVUZRMLKN-MRVPVSSYSA-N 166.224 0.741 10 10 ACCE COC(=O)/C=C\C(=C\O)C(=O)OC 379341911 APWYLNARIXVWLT-OUPQRBNQSA-N 186.163 0.331 10 10 ACCE CN(C)Cc1cc(CCO)ccc1O 1535714166 SABFWKWECJULHO-UHFFFAOYSA-N 195.262 0.989 10 10 ACCE CC(=O)C(=O)[C@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41 1907702386 RIKYRMIBGAWNGG-MLUIQSPZSA-N 192.214 0.017 10 10 ACCE Oc1cccc(O)c1[C@@H]1NCC[C@@H]1O 1952079586 OOBZWUUJSSKQHA-WCBMZHEXSA-N 195.218 0.493 10 10 ACCE Oc1cc([C@@H]2CNCCO2)cc(O)n1 1952457347 JZQJQPZUQDTQAS-ZETCQYMHSA-N 196.206 0.154 10 10 ACCE [N-]=[N+]=NCCN1CCN[C@H]2C[C@@H]21 1953752506 UUQYXEVEHMJTKE-BQBZGAKWSA-N 167.216 0.343 10 10 ACCE [N-]=[N+]=N[C@H]1OCC[C@@H]1CO 38220219 CTPUOYUPUQBRGP-UHNVWZDZSA-N 143.146 0.652 10 10 ACCE Nc1ccc(N2CC(=O)NC2=O)cc1 107134908 ZAXWFCZQBBQSPJ-UHFFFAOYSA-N 191.190 0.325 10 10 ACCE Nc1cc(F)c(O)c(O)c1O 212063808 IFXYLUANFVOOQO-UHFFFAOYSA-N 159.116 0.525 10 10 ACCE C[C@]1(C(N)=O)CCN(CCN=[N+]=[N-])C1 235747380 WGDNORUZUXGZLK-QMMMGPOBSA-N 197.242 0.494 10 10 ACCE C[C@@H](N)c1c(O)ccc(O)c1N 238416165 XDUBYNXHRLOSRV-SCSAIBSYSA-N 168.196 0.700 10 10 ACCE [N-]=[N+]=NC[C@@H](O)C1CCNCC1 238707192 UCVHGFFIHRMOPD-SSDOTTSWSA-N 170.216 0.657 10 10 ACCE Cc1cc([C@@H](O)C(=O)O)cc(O)c1O 258203100 YOFFTYISHWRNJV-MRVPVSSYSA-N 198.174 0.524 10 10 ACCE CSC1([C@@H](O)C(=O)C(C)=O)CC1 1929219922 FGJVVSSYOIHHFV-ZETCQYMHSA-N 188.248 0.401 10 10 ACCE CC(C)C(=O)[C@@H]1CCC(=O)C1=O 1932573887 QTZBPRUXFTYLGZ-LURJTMIESA-N 168.192 0.760 10 10 ACCE CC(=O)C(=O)c1cncnc1 1951938499 VAIBIPAURNTDNU-UHFFFAOYSA-N 150.137 0.248 10 10 ACCE OC[C@@H](F)c1cc(O)nc(O)c1 1952640253 SGWSWAKBYBKCHM-RXMQYKEDSA-N 173.143 0.496 10 10 ACCE 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10 ACCE COCO[C@@H]1C=CC[C@H](N=[N+]=[N-])[C@@H]1N 238348235 TUAHPDTYMMNZFH-RNJXMRFFSA-N 198.226 0.942 10 10 ACCE C[S@](=O)c1cccc(O)c1O 238507245 XJLVCQJTKKUXSW-NSHDSACASA-N 172.205 0.835 10 10 ACCE Cn1ccc(C2CNC2)cc1=O 709042625 DPYOWUFMAKZFDV-UHFFFAOYSA-N 164.208 0.072 10 10 ACCE Cn1cnc2c1[C@@H](CN=[N+]=[N-])NCC2 725242697 LHDATRDJVQRIFM-SSDOTTSWSA-N 192.226 0.917 10 10 ACCE Nc1ccc(NN2CCNCC2)cc1 1888916046 ZIPZFWXNXFIRRH-UHFFFAOYSA-N 192.266 0.501 10 10 ACCE C[C@@H](C(=O)O)N1CC[C@@H](N=[N+]=[N-])C1 1912143949 MIVMMFZTQNZCAE-NTSWFWBYSA-N 184.199 0.844 10 10 ACCE CC(=O)C(=O)[C@H]1CCO[C@@H]1C 1951322511 JRYMYQORBZXDPK-RQJHMYQMSA-N 156.181 0.570 10 10 ACCE NCC=CCc1cc(O)c(O)c(O)c1 1951855925 NRMFYHZEZAHBMN-UHFFFAOYSA-N 195.218 0.861 10 10 ACCE NCc1cccc(CN)c1O 39059349 MLFMHFIZZONLJX-UHFFFAOYSA-N 152.197 0.310 10 10 ACCE N[C@@H](CO)c1ccc(S)cc1O 72197549 VNGMHKUPUOYBLC-ZETCQYMHSA-N 185.248 0.673 10 10 ACCE C[C@H](O)CNCc1cc(O)ccc1O 83342677 LGSSUJRFTQZWKH-ZETCQYMHSA-N 197.234 0.568 10 10 ACCE OCc1ccc(O)c(O)c1O 135764128 KPAQWJFRHOHSRO-UHFFFAOYSA-N 156.137 0.296 10 10 ACCE in-vitro C/C=C/[C@H](N)[C@H](N=[N+]=[N-])C(=O)O 238053089 CDMCDIIJUCUBEC-PREYNSRTSA-N 170.172 0.653 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H](O)CC[C@H]1O 306468802 SWMKQCVDGIRNFG-KVQBGUIXSA-N 157.173 0.571 10 10 ACCE CCCC[C@H](O)[C@@H](O)[C@@H](O)C=S 379335551 UPEGGMLFGVOVPS-BIIVOSGPSA-N 192.280 0.259 10 10 ACCE [N-]=[N+]=NCCSCC(=O)C(=O)O 725377078 HQRWOFHTXZOGHY-UHFFFAOYSA-N 189.196 0.684 10 10 ACCE C[C@H]1CO[C@H](CN=[N+]=[N-])N1 885231268 PXXSOIJEIGKHID-CRCLSJGQSA-N 142.162 0.631 10 10 ACCE CC(=O)C(=O)[C@@]1(O)[C@H]2[C@H]3[C@H]2C[C@@H]2[C@H]3[C@@H]21 1907702388 RIKYRMIBGAWNGG-SJHHGMLJSA-N 192.214 0.017 10 10 ACCE [N-]=[N+]=NC1CN(Cc2cnc[nH]2)C1 1912184420 DYOBPOGNAGPPJJ-UHFFFAOYSA-N 178.199 0.904 10 10 ACCE N[C@@H](c1ccc(O)cc1O)C1(O)CC1 1952424790 BUQQEKWGZPHKPN-VIFPVBQESA-N 195.218 0.623 10 10 ACCE C[C@H](O)N(C)c1ccc(O)c(O)c1 59957761 XIOLXXRYVNUUEO-LURJTMIESA-N 183.207 0.872 10 10 ACCE COC(=O)[C@@]1(N=[N+]=[N-])CCCC1=O 138530167 YULJYKIUFNNGIX-SSDOTTSWSA-N 183.167 0.962 10 10 ACCE COC[C@H](N)c1ccc(N)cc1O 238363331 YQEZKUWVVGGABM-QMMMGPOBSA-N 182.223 0.621 10 10 ACCE C[C@@](N)(CO)c1ccc(S)cc1O 238445764 XEUUALXHPYDALR-SECBINFHSA-N 199.275 0.847 10 10 ACCE [N-]=[N+]=N[C@@H]1CS[C@H](CO)[C@@H]1O 238663830 JYGGTGXICLXYOH-UOWFLXDJSA-N 175.213 0.134 10 10 ACCE N=C1C=CC=C(C(=O)O)C1=N 238673819 MXGGWZGQGDQFCO-UHFFFAOYSA-N 150.137 0.607 10 10 ACCE Cc1cc([C@H](O)[C@H](C)N)cc(O)c1O 238803382 QTOZBOUOARSBSM-QUBYGPBYSA-N 197.234 0.787 10 10 ACCE Cc1cc(O)c(CN)cc1O 258046069 QSAFQBLHAUSAHW-UHFFFAOYSA-N 153.181 0.865 10 10 ACCE CC(=O)C(=O)C1(O)[C@H](C)C[C@H]1C 1888097597 RKHOCDQGERRUTM-PHDIDXHHSA-N 170.208 0.552 10 10 ACCE CO[C@H]1C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912194540 AUCNGFANNLOTNY-RQJHMYQMSA-N 196.210 0.542 10 10 ACCE CC(=O)C(=O)[C@@H](O)CC(C)C 1929115738 RAXXOYHVUHXLDL-ZETCQYMHSA-N 158.197 0.552 10 10 ACCE NC[C@H](F)Cc1ccc(O)c(O)c1 1951866542 XGPQDKWVLYCOHS-SSDOTTSWSA-N 185.198 0.937 10 10 ACCE CN1C(=O)N=C(N)[C@@H]1CN=[N+]=[N-] 87008800 FQGJHZNACHTJEF-VKHMYHEASA-N 168.160 0.088 10 10 ACCE Cc1ccc([C@](C)(N)C(=O)O)c(O)c1 104480940 AJIDYNNJVAVTGF-JTQLQIEISA-N 195.218 0.959 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H](F)CO[C@H]1CO 306388090 NCXFLQUTDOAJJF-PBXRRBTRSA-N 175.163 0.785 10 10 ACCE Cn1ccc(C2(CN)CCC2)cc1=O 307306715 UEGJITNYCYDUCU-UHFFFAOYSA-N 192.262 0.766 10 10 ACCE Cc1ccc(S(=O)(=O)N=[N+]=[N-])nn1 606272697 SQBHFMGOHUZTHB-UHFFFAOYSA-N 199.195 0.784 10 10 ACCE CN1CC[C@H](N)[C@@H]1CN=[N+]=[N-] 642869028 YERIIPKBBLPWMS-WDSKDSINSA-N 155.205 0.328 10 10 ACCE CC[C@H](OC)C(=O)CC(=O)C(C)=O 1924131816 HODSOADNZOJNGN-VIFPVBQESA-N 186.207 0.529 10 10 ACCE CC(=O)C(=O)[C@H]1CCCCO1 1951322541 LGMOLBYGWXCALR-SSDOTTSWSA-N 156.181 0.714 10 10 ACCE COC[C@@H](N)c1ccc(O)c(O)c1O 1951602593 QOQRFNJPCOISBS-ZCFIWIBFSA-N 199.206 0.450 10 10 ACCE CC(=O)C(=O)CC(=O)c1ocnc1C 1955755971 XUFOSHJLFUPYHP-UHFFFAOYSA-N 195.174 0.714 10 10 ACCE CC1=NN(C)C(=O)/C1=C\N(C)C 11525759 MOTAYSJTYMFCLP-ALCCZGGFSA-N 167.212 0.280 10 10 ACCE OC[C@@H]1NCCc2c(O)ccc(O)c21 75799332 ZQODEYVGFMYGOX-ZETCQYMHSA-N 195.218 0.277 10 10 ACCE CO[C@@H](CN)c1ccc(O)c(O)c1 107171109 LNPKPYXTDNJNAQ-VIFPVBQESA-N 183.207 0.744 10 10 ACCE in-vitro N=C(N)Cc1ccc(O)c(O)c1O 146826520 QQRXPYCOYVLNSY-UHFFFAOYSA-N 182.179 0.282 10 10 ACCE O=C(O)c1ccc2c(c1O)CNCC2 213674057 VHVUUOKDPOLMAB-UHFFFAOYSA-N 193.202 0.736 10 10 ACCE [N-]=[N+]=NC/C=C\[C@H](O)[C@H](O)/C=C\CO 218395830 VIXVJGSBVDIGJV-BJGSRRBSSA-N 199.210 0.123 10 10 ACCE Nc1ccc(NCn2cncn2)cc1 238579274 SSXBCZUTBYIIGJ-UHFFFAOYSA-N 189.222 0.930 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2O[C@H]2[C@H]1O 307118941 YFJQYYCAZIMQBK-MGCNEYSASA-N 141.130 0.197 10 10 ACCE [N-]=[N+]=NCCN1CC(O)(C2CC2)C1 384044110 KRNCFZJBOQRCJZ-UHFFFAOYSA-N 182.227 0.753 10 10 ACCE Cc1ccc(O)c2c1CC[C@]2(N)CO 713735845 SOMAYMPGXYFSEV-NSHDSACASA-N 193.246 0.793 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@H]1C 1929193070 LPAVXTBIMCVMDU-SVGQVSJJSA-N 156.181 0.306 10 10 ACCE CCN(CCN=[N+]=[N-])CC(=O)OC 1954827820 CDPWEJLFLJGSRE-UHFFFAOYSA-N 186.215 0.792 10 10 ACCE Oc1cc(O)c(O)c(O)c1 901826 RDJUHLUBPADHNP-UHFFFAOYSA-N 142.110 0.509 10 10 ACCE in-vitro O=C(O)c1sc2c(c1O)CCNC2 84227949 YGKNOJCFDOQWRJ-UHFFFAOYSA-N 199.231 0.798 10 10 ACCE C[C@@H](O)[C@H](N)c1cccc(O)c1O 95673878 SPYBEUIAOVIGFD-XRGYYRRGSA-N 183.207 0.478 10 10 ACCE C[C@H]1CCN(CCN=[N+]=[N-])[C@@H]1CO 227197885 RRQRAAFOSUFVPO-JGVFFNPUSA-N 184.243 0.999 10 10 ACCE N[C@]1(c2ccccc2O)CCOC1 1772509029 CRPYOKSOTVPXRQ-SNVBAGLBSA-N 179.219 0.967 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@H](O)[C@H]1C2 1881839531 DNANLFUYMILXPU-PRJMDXOYSA-N 182.227 0.752 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@H]2N 1882588729 UIKJQTKXFFPFDJ-CSMHCCOUSA-N 181.243 0.718 10 10 ACCE C[C@@H](C(=O)N(C)CCN=[N+]=[N-])N(C)C 1912174399 YPIWOENLSPRYHK-ZETCQYMHSA-N 199.258 0.705 10 10 ACCE CN1CC[C@@](N)(c2ccccc2O)C1 1928468700 ZJFKDAPPJFPIJB-NSHDSACASA-N 192.262 0.882 10 10 ACCE CO[C@@H](C)[C@@H](CO)N=[N+]=[N-] 1952961583 GJKXNFQOCQVSOE-CRCLSJGQSA-N 145.162 0.693 10 10 ACCE O=C1C(=O)C(F)(F)C1(F)F 5133011 UCNKOBZYBHPLOR-UHFFFAOYSA-N 156.034 0.409 10 10 ACCE COc1cc(C[C@H](C)N)cc(O)c1O 44461511 NJZKZDBEPGDCMU-LURJTMIESA-N 197.234 0.996 10 10 ACCE NC[C@H](N)c1cc(F)c(F)cc1O 72200320 AMFKLAKRPDSVHJ-ZETCQYMHSA-N 188.177 0.629 10 10 ACCE CN1CCNC[C@H]1c1ccccc1O 82388675 XXSGZOBXONWRQR-JTQLQIEISA-N 192.262 0.968 10 10 ACCE Oc1cc2cn[nH]c2cc1O 89197044 LDIOKVBESHXFQP-UHFFFAOYSA-N 150.137 0.974 10 10 ACCE C[C@H](N=[N+]=[N-])C(=O)N1CCOCC1 104701622 PJFKAEALZNDJMC-LURJTMIESA-N 184.199 0.544 10 10 ACCE CC(=O)N[C@@H]1[C@@H](O)C=CC[C@@H]1N=[N+]=[N-] 238125175 ZZTAJAPPAOVUFJ-FXQIFTODSA-N 196.210 0.491 10 10 ACCE C[C@](O)(CO)CCN=[N+]=[N-] 238447925 HAOMGFGMNGFMNV-RXMQYKEDSA-N 145.162 0.430 10 10 ACCE Cc1c(O)ccc([C@@H](N)CN)c1O 238539902 WICMQIFQMPQHIH-ZETCQYMHSA-N 182.223 0.365 10 10 ACCE N[C@H]1CCOc2cc(O)cc(O)c21 238604588 NWBIWYBHHJPWJT-LURJTMIESA-N 181.191 0.880 10 10 ACCE C[C@H]1C[C@@H](O)CN1CCN=[N+]=[N-] 306749532 LSISPIYBMBCYNN-NKWVEPMBSA-N 170.216 0.752 10 10 ACCE C[C@H]1C[C@H](O)CN(CCN=[N+]=[N-])C1 306976748 DLGWYDHIPAOCSW-YUMQZZPRSA-N 184.243 0.999 10 10 ACCE C[C@H]1CC(=O)NCCN1CCN=[N+]=[N-] 707600355 FOLBDXQWMYLQIH-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE C[C@H]1NC[C@@H]1NCc1ccccc1O 1885872260 KTUMHKRTEPMMAZ-SCZZXKLOSA-N 192.262 0.842 10 10 ACCE C[C@@H](N)[C@@H](O)Cc1ccc(O)c(O)c1 1951860142 NMVINTKAVLWKPH-MUWHJKNJSA-N 197.234 0.348 10 10 ACCE CC(=O)[C@H](O)c1cc(O)nc(O)c1 1952301385 TVOFFSXZUZMOKQ-QMMMGPOBSA-N 183.163 0.115 10 10 ACCE N=C(N)COc1ccc(N)cc1 86456384 GFUZZFDTAPYGSR-UHFFFAOYSA-N 165.196 0.584 10 10 ACCE C[C@H](O)[C@H](N)c1cc(N)ccc1O 104670949 QFWMDMYDTSBKHC-CDUCUWFYSA-N 182.223 0.355 10 10 ACCE CC1(C)O[C@H]2[C@H](CN=[N+]=[N-])NC[C@H]2O1 238188683 UIRQGJNKEYFHKO-XVMARJQXSA-N 198.226 0.789 10 10 ACCE COC(=O)C1=S=C=C(C)C1=[N+]=[N-] 713826839 SXICYNRHYXDBQZ-UHFFFAOYSA-N 182.204 0.097 10 10 ACCE NCC1=S=NC/C1=C1/C=NCS1 725606602 VKVXSZKOBNISFV-FNORWQNLSA-N 199.304 0.427 10 10 ACCE CN1CC(CN2CC[C@@H](N=[N+]=[N-])C2)C1 1897111931 ULTYUGCJWXGJOR-SECBINFHSA-N 195.270 0.933 10 10 ACCE C[C@H](NCc1ccc(N)cc1)C(=O)O 1929710279 CZVQXUFWAINAMS-ZETCQYMHSA-N 194.234 0.832 10 10 ACCE Oc1cccc(F)c1[C@@H]1C[C@H](O)CN1 1952064089 IDQKOGBAKGTROD-XPUUQOCRSA-N 197.209 0.927 10 10 ACCE CC1(C)[C@H](N=[N+]=[N-])[C@@]1(CO)C(=O)O 36456089 UOBQDNDOZZIBMH-FFWSUHOLSA-N 185.183 0.768 10 10 ACCE CN1Cc2c(O)cccc2[C@H](N)C1 82397784 GTTWGOKJKIYHDH-SECBINFHSA-N 178.235 0.837 10 10 ACCE Cc1cc(O)c(O)cc1CN 82842031 PYZONEMZPLIKID-UHFFFAOYSA-N 153.181 0.865 10 10 ACCE C[C@](NCCN=[N+]=[N-])(C(N)=O)C1CC1 85224445 XLSPQVFVZAWVOT-MRVPVSSYSA-N 197.242 0.540 10 10 ACCE CCOC(=O)[C@H](CN=[N+]=[N-])NC1CC1 85622102 DMTQGDPVCMMRNR-ZETCQYMHSA-N 198.226 0.980 10 10 ACCE C[C@H](O)[C@@H](N)c1ccc(O)cc1O 95658957 KLQSEMOKIHNFGT-SSDLBLMSSA-N 183.207 0.478 10 10 ACCE CN[C@H](CO)c1ccc(C)cc1O 104525090 XGOGXHUUTCNFKW-SECBINFHSA-N 181.235 0.953 10 10 ACCE C[C@@H](Nc1cccc(O)c1O)C(=O)O 116708387 VJXJSVSUWVSVDG-RXMQYKEDSA-N 197.190 0.983 10 10 ACCE [N-]=[N+]=NC[C@@H](O)CCO 196144020 MKOAQYUZUSTOFJ-BYPYZUCNSA-N 131.135 0.040 10 10 ACCE COc1cc(N)c(O)c2c1CC[C@H]2N 238375017 FBJWCQOSIXPPFS-ZCFIWIBFSA-N 194.234 0.929 10 10 ACCE Oc1cc(C2CNC2)cc(O)c1O 238717371 OVEWYZCPFKHQRU-UHFFFAOYSA-N 181.191 0.490 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H](O)CCC1=O 238724772 WGWUAAXFKYSYJJ-CRCLSJGQSA-N 155.157 0.779 10 10 ACCE CN(C)Cc1cc(C=O)c(O)cc1O 642879180 BHGDVUUOPQVUSA-UHFFFAOYSA-N 195.218 0.972 10 10 ACCE CC1=C=[N+](C)N=C1CNN=N 885239394 IPGPLMLFUCKTLN-UHFFFAOYSA-N 152.181 0.150 10 10 ACCE CO[C@H]1COC[C@@H]1N1CC(N=[N+]=[N-])C1 1912149436 GISXSRFKEJNUON-YUMQZZPRSA-N 198.226 0.395 10 10 ACCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CCCO1 1918944607 BFIRMDZOFKIPBX-IONNQARKSA-N 186.207 0.075 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccc(C)nc1 1929164961 HUCHHAQEQUNNQY-JTQLQIEISA-N 193.202 0.582 10 10 ACCE CO[C@H]1CCC[C@]1(O)C(=O)C(C)=O 1929180462 SAALXVSJGMBZDG-IONNQARKSA-N 186.207 0.075 10 10 ACCE CN1N=C(CN=[N+]=[N-])CCC1=O 1951403305 RFOXTPDTBLIOIK-UHFFFAOYSA-N 167.172 0.905 10 10 ACCE [N-]=[N+]=NCCCCN1CCNCC1 1954206748 LNKULYVLEOZEFM-UHFFFAOYSA-N 183.259 0.982 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CNC[C@@H]2C1 1954206863 MYEFQTJNLPKHKU-OCAPTIKFSA-N 181.243 0.448 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C(N)[C@@H]2C1 1954207295 UDKIPUAEEJQQTL-RNFRBKRXSA-N 181.243 0.576 10 10 ACCE C=C(N=[N+]=[N-])C(=O)O 137161296 PTMUHNZXCICFFV-UHFFFAOYSA-N 113.076 0.895 10 10 ACCE CCOC(=O)/N=N/C(C)=C\C(N)=O 137928275 WFNZNHRBVKJJNP-HJXNJETESA-N 185.183 0.984 10 10 ACCE OCC[C@@H]1NCCc2cccc(O)c21 257839390 LPZPGDBONPHWJT-VIFPVBQESA-N 193.246 0.961 10 10 ACCE COC(=O)c1cccc(CN)c1O 258041807 QDFSEMDHDLJJOW-UHFFFAOYSA-N 181.191 0.638 10 10 ACCE C[C@H]1[C@H](O)[C@H](CN=[N+]=[N-])O[C@H]1O 306482932 JKTUGEFSJONIAN-OMMKOOBNSA-N 173.172 0.011 10 10 ACCE CC[N+]1=C=C([C@H](C)NN=N)N=N1 885280506 RSFSJBGFEXOOMJ-YFKPBYRVSA-N 167.196 0.877 10 10 ACCE CN1C[C@H]2C[C@H]1CN2CCN=[N+]=[N-] 1882775374 NBWDROAYNDTECD-JGVFFNPUSA-N 181.243 0.685 10 10 ACCE C[C@@H](CN)NCc1ccc(O)c(O)c1 1887789485 KHVSBKAJVYBBRF-ZETCQYMHSA-N 196.250 0.535 10 10 ACCE NCCN(CCO)c1ccc(N)cc1 1888905785 UDINQCLHTNBZNJ-UHFFFAOYSA-N 195.266 0.026 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(C[C@H]2CC(=O)N2)C1 1912183878 AWHQKAZSJIAION-RNFRBKRXSA-N 195.226 0.260 10 10 ACCE Cc1nc(CN2CC(N=[N+]=[N-])C2)no1 1912205583 GMFMOORKWMYCIJ-UHFFFAOYSA-N 194.198 0.873 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1nc(C)cs1 1929176058 YNPWSNKRNDBTNB-SSDOTTSWSA-N 199.231 0.643 10 10 ACCE CCN(CCN=[N+]=[N-])C[C@H](C)N 1953752311 SDHVEIAMTVIGNY-ZETCQYMHSA-N 171.248 0.966 10 10 ACCE COc1ccc(N2CC(N)C2)c(F)c1 1955851393 NTWNKCBTNGPJRK-UHFFFAOYSA-N 196.225 0.982 10 10 ACCE C[C@@H](O)CNCc1cccc(O)c1O 41049417 UCPRZNOLWVBWJX-SSDOTTSWSA-N 197.234 0.568 10 10 ACCE [N-]=[N+]=NC(F)(F)C(=O)NF 142001847 VSHSLWQCWUIBSO-UHFFFAOYSA-N 154.051 0.890 10 10 ACCE Cc1ccc([C@H](O)C(=O)O)c(O)c1O 258045172 KCMVJRUZXNQAJJ-QMMMGPOBSA-N 198.174 0.524 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](CC(=O)O)[C@H](O)C1 306375191 LRJHJIAOJWTEPI-HCWXCVPCSA-N 185.183 0.911 10 10 ACCE COC(=O)[C@@H]1CCC[C@H](N=[N+]=[N-])[C@H]1O 307635909 SUKQGGHQVBVYGZ-VQVTYTSYSA-N 199.210 0.999 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccsc1 1929121993 MDSHVRLHINNUJG-MRVPVSSYSA-N 184.216 0.940 10 10 ACCE C[C@H](N)[C@@](C)(O)c1cccc(O)c1O 1951842089 GCXQTQKAVZVRRJ-QUBYGPBYSA-N 197.234 0.653 10 10 ACCE [N-]=[N+]=NCCN1CC=C[C@@H](O)C1 1953634376 PLUDADVVVMTOFS-SSDOTTSWSA-N 168.200 0.529 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](F)C[C@H]1CN 1954208440 NFQPSXBUCNISMN-BQBZGAKWSA-N 187.222 0.668 10 10 ACCE NCCNCc1cccc(O)c1O 48678673 FCXSYKFGCXTXMY-UHFFFAOYSA-N 182.223 0.146 10 10 ACCE [N-]=[N+]=NC[C@H](O)CF 201643804 AUZPMIQENQLFBV-GSVOUGTGSA-N 119.099 0.627 10 10 ACCE COC(=O)/C=C/C(=C\O)C(=O)OC 238344838 APWYLNARIXVWLT-VNKDHWASSA-N 186.163 0.331 10 10 ACCE COC[C@H](N)c1ccc(O)cc1O 238363684 VAVLSWVYZIMIAL-QMMMGPOBSA-N 183.207 0.744 10 10 ACCE COC(=O)/C=C\[C@H](N=[N+]=[N-])[C@@H](C)O 308088232 ZARXIHQYGFCSQL-KJGOGWGYSA-N 185.183 0.775 10 10 ACCE 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ACCE Oc1ccc(C[C@@H]2CNC=N2)cc1O 40466736 WFGOTNOOHFMZFV-MRVPVSSYSA-N 192.218 0.640 10 10 ACCE C[C@@H](O)CN(C)CCN=[N+]=[N-] 51839777 UKJCZGHXBCAOHU-ZCFIWIBFSA-N 158.205 0.609 10 10 ACCE [N-]=[N+]=NCc1nnn[nH]1 95118387 IRJSDSNUSYKSJL-UHFFFAOYSA-N 125.095 0.010 10 10 ACCE CNC(=O)NC(=O)[C@H](C)N=[N+]=[N-] 104701639 XMJGVADIZXDTAR-VKHMYHEASA-N 171.160 0.141 10 10 ACCE C[C@@H]1C(=O)C(=O)[C@@H]1C 197045598 WXSDQSAVDKSELF-ZXZARUISSA-N 112.128 0.410 10 10 ACCE CN1CC(Oc2ccc(N)cc2)C1 212777793 DNOGPPLMFKJABM-UHFFFAOYSA-N 178.235 0.962 10 10 ACCE CCCC(=O)C(=O)CC(=O)O 218649984 DZUHUCGTMJSROV-UHFFFAOYSA-N 158.153 0.399 10 10 ACCE Nc1cc(O)c(O)c([N+](=O)[O-])c1 221065060 BQHNBLOQZVZJOM-UHFFFAOYSA-N 170.124 0.588 10 10 ACCE O=Cc1c(C(=O)O)cc(O)nc1O 238657462 ZUUZXLZPVMVHLZ-UHFFFAOYSA-N 183.119 0.004 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H]2O[C@@H]12 306373057 NLPHAUCHWQDJLQ-DVKNGEFBSA-N 169.140 0.188 10 10 ACCE Cn1ccnc1C1=CCCNC1 306448942 KGMNDEVDGCWOPE-UHFFFAOYSA-N 163.224 0.797 10 10 ACCE CC(=O)N[C@@H]1CC[C@@H](N=[N+]=[N-])[C@H]1O 307273897 XUTBOIAZKIDEFO-QYNIQEEDSA-N 184.199 0.325 10 10 ACCE C[C@@H]1C[C@@H]1[C@@H](NCCN=[N+]=[N-])C(N)=O 705276056 AWMHMUWTXOOEMZ-DSYKOEDSSA-N 197.242 0.396 10 10 ACCE CN(CCON)Cc1ccccc1O 1889468137 XNCVTWAUUPYIOQ-UHFFFAOYSA-N 196.250 0.714 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](O)[C@H](F)C1 1912207301 NQVDSUQMLVBPLD-RQJHMYQMSA-N 188.206 0.701 10 10 ACCE CNCC(=O)Cc1ccc(O)c(O)c1 1951868754 OORKBDCGVNQNJQ-UHFFFAOYSA-N 195.218 0.429 10 10 ACCE CN[C@@H]1CNc2scc(O)c2C1=O 74238012 XBKRDNKTAPUJHY-SCSAIBSYSA-N 198.247 0.650 10 10 ACCE NC[C@@H](Cc1ccc(N)cc1)C(=O)O 76137298 ZEVQFNZQFRSJMF-MRVPVSSYSA-N 194.234 0.471 10 10 ACCE COC(=O)c1cc(O)c(O)c(CO)c1 89629965 BHRWWXLVFAXIMX-UHFFFAOYSA-N 198.174 0.377 10 10 ACCE CCOCCC(=O)CC(=O)C(C)=O 122641863 IXHUPUKGEKDKHS-UHFFFAOYSA-N 186.207 0.530 10 10 ACCE NCc1ccc(CO)cc1O 213686961 QQUJNJJSKFDAEV-UHFFFAOYSA-N 153.181 0.343 10 10 ACCE CC(=O)C(=O)COc1ccccc1O 238043998 PDVLJUHUZXFFBE-UHFFFAOYSA-N 194.186 0.929 10 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306674215 PURXWVMCBCGYJL-VHSXEESVSA-N 195.218 0.407 10 10 ACCE CCN1CC[C@@H](N=[N+]=[N-])C1=O 575564986 ZJZDPLATWXQLJP-RXMQYKEDSA-N 154.173 0.918 10 10 ACCE CN1CC[C@@H](N(C)CCN=[N+]=[N-])C1=O 690144827 YOXQQALKONKHIL-SSDOTTSWSA-N 197.242 0.459 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H](CC(N)=O)C1 690732355 LLMVEHXNHWXNOO-ZETCQYMHSA-N 197.242 0.494 10 10 ACCE Nc1ccc(N[C@@H]2C[C@@H]2N)cc1 1881189663 FPHCCOJLIBNVOZ-DTWKUNHWSA-N 163.224 0.780 10 10 ACCE COC[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 1888127779 ATIJLTIHRCNTOL-NKWVEPMBSA-N 198.226 0.695 10 10 ACCE CCC[C@@](O)(COC)C(=O)C(C)=O 1953785150 ZPGOVJPDDOLRRI-SECBINFHSA-N 188.223 0.322 10 10 ACCE CCC[C@H](C)COc1nnc(=N)[nH]n1 2209559428 FFSVFGRLGZZROF-LURJTMIESA-N 197.242 0.494 10 10 ACCE Cc1cc(O)c([C@@H](N)CO)c(O)c1 72197487 SBDWFAQFTVSGHI-LURJTMIESA-N 183.207 0.398 10 10 ACCE CC(=O)OC[C@@H]1C[C@H](N=[N+]=[N-])C[C@@H]1O 238159364 OHEHNJCGMVNZLJ-FXQIFTODSA-N 199.210 0.999 10 10 ACCE COC[C@@H](N)c1cccc(N)c1O 238380753 VILFEMLVAQGASV-MRVPVSSYSA-N 182.223 0.621 10 10 ACCE CNCCc1cc(O)c(O)c(F)c1 258205176 YSHKANNJSHUUMY-UHFFFAOYSA-N 185.198 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)C[C@H]1O 687756632 ZNHMIJSNCHKMLG-VPENINKCSA-N 143.146 0.181 10 10 ACCE CNC(=O)CCN1CC[C@@H](N=[N+]=[N-])C1 1912150197 QGPLGRAWFGSZNK-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE CO[C@H](CN)Cc1cccc(O)c1O 1951648600 FAVZJOFVNSLBEC-QMMMGPOBSA-N 197.234 0.614 10 10 ACCE C[C@@H](O)N=[N+]=[N-] 140958137 AGCPPSNKHQEFRX-UWTATZPHSA-N 87.082 0.635 10 10 ACCE COC(=O)/C(=C\O)Cc1cnn(C)c1 168256718 YSXKNERCEPNNJB-VURMDHGXSA-N 196.206 0.578 10 10 ACCE COC(=O)C(=[N+]=N)C(=O)C(C)C 201420765 UKAYSHIQMDAFMV-UHFFFAOYSA-N 171.176 0.065 10 10 ACCE NCCC(=O)c1ccc(O)c(O)c1F 258110645 LGWKKJCZUHKLBJ-UHFFFAOYSA-N 199.181 0.768 10 10 ACCE COC(=O)[C@@H]1CCC[C@@H](O)[C@H]1N=[N+]=[N-] 306271666 UGHCYMPHWIYZLK-QYNIQEEDSA-N 199.210 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2N=CC(=O)O[C@H]2C1 306557857 JQUAEKQXUJAJAI-SRQIZXRXSA-N 180.167 0.824 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC2(CNC2)CO1 536959102 XNSDUDFAYOTGEG-LURJTMIESA-N 168.200 0.675 10 10 ACCE CCC[C@H](N)[C@@H](O)CN=[N+]=[N-] 1880210210 FUSYUUYIURJXNT-WDSKDSINSA-N 158.205 0.785 10 10 ACCE CC(=O)C(=O)c1ncccc1O 1951968817 PHPWGEAOGGROMT-UHFFFAOYSA-N 165.148 0.559 10 10 ACCE CN(CCN=[N+]=[N-])[C@@H]1CC[C@H]1N 1953751104 GRHAUKROBWCUQP-RNFRBKRXSA-N 169.232 0.718 10 10 ACCE [N-]=[N+]=N[C@H]1CCOC[C@H]1O 38995575 OPJACWGLWDZDTR-CRCLSJGQSA-N 143.146 0.447 10 10 ACCE CN1C[C@H](N)c2cc3c(cc21)OCO3 84769034 FRUBQNRLAKAVBC-ZETCQYMHSA-N 192.218 0.865 10 10 ACCE C[C@@](CO)(N=[N+]=[N-])C(=O)O 136147729 BGPVAMRXOWMKRX-BYPYZUCNSA-N 145.118 0.132 10 10 ACCE in-vitro CC(C)[C@H](O)[C@@H](CO)N=[N+]=[N-] 136476736 PHBLIHSWBSMLBH-RITPCOANSA-N 159.189 0.675 10 10 ACCE C[C@H](N=[N+]=[N-])[C@@H]1CNC1=O 199908079 VEQKIYQDMVIDRR-IMJSIDKUSA-N 140.146 0.431 10 10 ACCE C[C@H](N=[N+]=[N-])[C@H]1CNC1=O 207480205 VEQKIYQDMVIDRR-IUYQGCFVSA-N 140.146 0.431 10 10 ACCE CC[C@@H](O)[C@H](CCO)N=[N+]=[N-] 238279034 MAGURYIVCNWXNT-NTSWFWBYSA-N 159.189 0.819 10 10 ACCE [N-]=[N+]=NC1CN([C@@H]2CCC[C@H]2O)C1 1912183328 NVOZEEPFMJDUAC-HTQZYQBOSA-N 182.227 0.894 10 10 ACCE C[C@@H](CN)c1cc(O)c(O)c(O)c1 1951530238 GECKLMKIFROTOQ-YFKPBYRVSA-N 183.207 0.866 10 10 ACCE N=c1nnc(OCCCC2CC2)n[nH]1 2209555810 KLVXXRWFZOETQU-UHFFFAOYSA-N 195.226 0.248 10 10 ACCE CC(C)N(CCN=[N+]=[N-])CC(N)=O 42438721 CGJLQMBMLXDWNV-UHFFFAOYSA-N 185.231 0.492 10 10 ACCE C[C@@H]1CCC(=O)C(=O)C1 100250524 PMVXNJKNQOPOLI-RXMQYKEDSA-N 126.155 0.945 10 10 ACCE [N-]=[N+]=N[C@H]1CCNC[C@H]1O 164829763 FCZKPEQZWDFLAK-CRCLSJGQSA-N 142.162 0.020 10 10 ACCE Cc1cc(N)c(O)c(O)c1 211703933 YXSFWDTUXIXWPE-UHFFFAOYSA-N 139.154 0.988 10 10 ACCE C[C@H](N)c1cc(CCN)ccc1O 238417508 RNFXLJZIMJNCGE-ZETCQYMHSA-N 180.251 0.913 10 10 ACCE CCOC(=O)N=N/C(C)=C/C(N)=O 382640692 WFNZNHRBVKJJNP-MIWUCIRRSA-N 185.183 0.984 10 10 ACCE CO[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 709679227 UXQXAOSJROMROZ-PHDIDXHHSA-N 184.199 0.448 10 10 ACCE N[C@@H]1CC(=O)c2c1ccc(O)c2O 713758729 ANGLBYBFDHWMGO-RXMQYKEDSA-N 179.175 0.684 10 10 ACCE [N-]=[N+]=NCCCCN1CC(O)C1 1912158893 ANQBOXODTBWDKQ-UHFFFAOYSA-N 170.216 0.753 10 10 ACCE CN(CCN=[N+]=[N-])C[C@@H]1CC(=O)N1 1912160801 APUDZMMLCBZLPL-LURJTMIESA-N 183.215 0.117 10 10 ACCE Oc1cccc([C@@H]2OCC[C@H]2O)c1O 1952135620 NZQSFTFQGKCFLR-SCZZXKLOSA-N 196.202 0.920 10 10 ACCE CC(C)(N)Cc1cc(O)nc(O)c1 1952148963 LWBSIQVSZPGLQO-UHFFFAOYSA-N 182.223 0.773 10 10 ACCE NC[C@@H](F)Cc1cc(O)nc(O)c1 1952856860 IIYAZQFOXGLQRF-LURJTMIESA-N 186.186 0.332 10 10 ACCE Cn1c(CCN)ccc1-c1cn[nH]c1 76634538 RPQMRKSIOLAYCM-UHFFFAOYSA-N 190.250 0.916 10 10 ACCE CN1CCc2cc([C@@H](N)CO)ccc21 82891459 CCQYRWRATAAABZ-JTQLQIEISA-N 192.262 0.671 10 10 ACCE Cc1c(F)ccc(O)c1[C@H](N)CN 104575461 LWLFKBVXEFGDIJ-SSDOTTSWSA-N 184.214 0.798 10 10 ACCE [N-]=[N+]=NCCC[C@H]1C(=O)N[C@H]1C(=O)O 196774509 GWPIKVGWAGULME-RFZPGFLSSA-N 198.182 0.276 10 10 ACCE C=C=C(CO)N=[N+]=[N-] 238693604 CRFUJOGIUSXDBX-UHFFFAOYSA-N 111.104 0.958 10 10 ACCE CN(C)S(=O)(=O)CCN=[N+]=[N-] 307736096 ZBJCKGJBFCFEFM-UHFFFAOYSA-N 178.217 0.188 10 10 ACCE Cn1ccnc1/C=C1/CCNC1 575462218 ZWLVVHHKEXMPNY-VURMDHGXSA-N 163.224 0.797 10 10 ACCE C[C@@H]1C[C@H]1[C@@H](NCCN=[N+]=[N-])C(N)=O 705276058 AWMHMUWTXOOEMZ-FSDSQADBSA-N 197.242 0.396 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])C(=O)N1 953126582 CJXSHDQKAGJPFU-YFKPBYRVSA-N 169.188 0.710 10 10 ACCE [N-]=[N+]=CC(=O)C(F)(F)F 1857780199 RQKOIRQNGXNVGF-UHFFFAOYSA-N 138.048 0.418 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCC=C1C 1880795644 WZNXIRCOFRXFGS-VIFPVBQESA-N 168.192 0.616 10 10 ACCE CN(Cc1ccccc1O)C(=N)NO 1889466970 HURAWRHGDMVZAY-UHFFFAOYSA-N 195.222 0.738 10 10 ACCE C[C@H](CO)N1CC(N=[N+]=[N-])C1 1912200522 IMZYTWPFBJSRDT-RXMQYKEDSA-N 156.189 0.362 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2OCCO[C@@H]2C1 1912204125 IRLFKKBXXMWNIK-HTQZYQBOSA-N 198.226 0.396 10 10 ACCE CC(=O)C(=O)C1(O)C[C@H]2CC[C@@H]2C1 1929240014 HFLXWFQDNUYLQZ-HTQZYQBOSA-N 182.219 0.696 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccc(N)cc1 1929712124 CHUMHLUEDMWLOA-JTQLQIEISA-N 193.202 0.460 10 10 ACCE Cc1cccc(O)c1CNCC(N)=O 1955543621 KNMUHWKATZTPQP-UHFFFAOYSA-N 194.234 0.276 10 10 ACCE CC1(C)OC[C@@H]([C@@H](CO)N=[N+]=[N-])O1 34414296 NJBYIXHQMYUHRG-RITPCOANSA-N 187.199 0.809 10 10 ACCE CC(=O)CCC(=O)C(C)=O 34515289 XDJAUXXWCBLXGT-UHFFFAOYSA-N 142.154 0.514 10 10 ACCE C[C@@H](O)[C@@H](N)c1c(O)cccc1F 95671805 NIHRDHIZJKRGBG-MLUIRONXSA-N 185.198 0.912 10 10 ACCE COC(C)(C)C(=O)NCCN=[N+]=[N-] 230949445 CSYMHUIYPXWQEB-UHFFFAOYSA-N 186.215 0.838 10 10 ACCE ONCc1c(F)ccc(O)c1O 258010048 MYXGGFZKPMIYAT-UHFFFAOYSA-N 173.143 0.716 10 10 ACCE NCC1=N[C@@H](c2ccccc2O)CO1 258313292 TYAUJTKRUWHRKU-MRVPVSSYSA-N 192.218 0.821 10 10 ACCE NCC[C@@H](N)c1c(O)cc(O)cc1O 306868330 QXWKFBWDZXDVKY-ZCFIWIBFSA-N 198.222 0.152 10 10 ACCE [N-]=[N+]=Cc1cc(F)ccn1 307061983 MZROIWUOOXCJOV-UHFFFAOYSA-N 137.117 0.869 10 10 ACCE CN(CCN=[N+]=[N-])Cc1ncnn1C 707556084 FPRYWFXVFFNSQK-UHFFFAOYSA-N 195.230 0.557 10 10 ACCE [N-]=[N+]=NCC1=NO[C@H]2CNC[C@H]12 1881080800 HWIADLOSPIJWCF-XINAWCOVSA-N 167.172 0.271 10 10 ACCE C[C@H]1[C@H](O)CN1c1ccc(N)cc1 1882469932 VMZBVXPILVYZOV-OIBJUYFYSA-N 178.235 0.838 10 10 ACCE OC[C@H](F)Cc1ccc(O)c(O)c1 1952093097 URIMZGSWSWDURP-SSDOTTSWSA-N 186.182 0.971 10 10 ACCE [N-]=[N+]=NCCN1CCN[C@@H]2CC[C@H]21 1954208284 KYRZCEMHVUJBEG-HTQZYQBOSA-N 181.243 0.733 10 10 ACCE O=C(O)c1ccc(O)c(O)c1C(=O)O 901679 QXGJCWSBOZXWOV-UHFFFAOYSA-N 198.130 0.494 10 10 ACCE in-vitro O=C(O)CNCc1cccc(O)c1O 8732274 SLCWLDNWVKLMFD-UHFFFAOYSA-N 197.190 0.272 10 10 ACCE Nc1ccc(N[N+](=O)[O-])cc1 112990476 ZTQDYDIRBKMMQB-UHFFFAOYSA-N 153.141 0.872 10 10 ACCE O=C1CC[C@H]2O[C@@H]2CCC1=O 196416637 ZMKWOIZGXGLGIC-HTQZYQBOSA-N 154.165 0.466 10 10 ACCE [N-]=[N+]=N[C@H]1CCNC[C@H]1F 200448979 QJVADWNMDWXSCZ-UHNVWZDZSA-N 144.153 0.997 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@H]1CNC1=O 207480249 VEQKIYQDMVIDRR-QWWZWVQMSA-N 140.146 0.431 10 10 ACCE C[C@]1(O)C[C@@H](O)[C@H](N=[N+]=[N-])CO1 213115988 PNCLRTVOUCWXDS-HSUXUTPPSA-N 173.172 0.155 10 10 ACCE Oc1ccccc1CN[C@H]1CNOC1 703326644 YMPVZXGUYCKYRN-VIFPVBQESA-N 194.234 0.385 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1ncccn1 1535739813 QWVTUTYCYAXUIU-YFKPBYRVSA-N 165.156 0.820 10 10 ACCE Oc1cccc([C@H]2NCC[C@H]2O)c1O 1952082145 XOXZDDHSRSGOIF-VXNVDRBHSA-N 195.218 0.493 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2[C@@H](N)CC[C@H]2C1 1957244894 TZESCIDKPYNQIK-YIZRAAEISA-N 195.270 0.966 10 10 ACCE Nc1ccc(F)c(O)c1O 2055136490 MDGACJHNCDMARY-UHFFFAOYSA-N 143.117 0.819 10 10 ACCE [N-]=[N+]=NCC[S@@](=O)CC1COC1 2241877264 PAFUDUYASDIMRX-GFCCVEGCSA-N 189.240 0.692 10 10 ACCE COC[C@@H](CN=[N+]=[N-])OC 59752050 ZPVXMTACLGVSNN-RXMQYKEDSA-N 145.162 0.958 10 10 ACCE NCC(=O)NCc1cc(F)ccc1O 83342869 VNFCYULOQPGRCH-UHFFFAOYSA-N 198.197 0.106 10 10 ACCE C[C@H]1CC[C@H](C(=O)NCCN=[N+]=[N-])O1 88142823 BYQIJCSNBKVHOO-NKWVEPMBSA-N 198.226 0.980 10 10 ACCE Cc1ccc([C@](C)(N)CO)c(O)c1 95748461 HZBGWHJPFIVGIK-SNVBAGLBSA-N 181.235 0.867 10 10 ACCE CC(=O)NCc1cc(C)cc(N)c1O 149579337 TWTHWVUJWHDYRS-UHFFFAOYSA-N 194.234 0.919 10 10 ACCE CONCc1c(O)cccc1O 258015682 NKTWNGJPMISJAU-UHFFFAOYSA-N 169.180 0.749 10 10 ACCE O=C(O)/C(Br)=C\O 307055928 ZNMYYCYCXIDCRJ-OWOJBTEDSA-N 166.958 0.865 10 10 ACCE COC(=O)/C=C1/SC(C)=NC1=O 34780958 LFIPWTUPPQHYIV-HWKANZROSA-N 185.204 0.735 10 10 ACCE CN[C@@H](C)C(=O)c1ccc(O)c(O)c1 75597663 NIRQIFAAAYJDGZ-LURJTMIESA-N 195.218 0.888 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](O)[C@@H]2O[C@H]12 143903353 KDLWMXUNCMQCJL-RSJOWCBRSA-N 141.130 0.197 10 10 ACCE CC(=O)N[C@@H]1[C@@H](O)CCC[C@@H]1N=[N+]=[N-] 238125237 KXOHOYZISPUSEC-FXQIFTODSA-N 198.226 0.715 10 10 ACCE C[C@H](N)c1ccc(N)cc1O 238427878 NRCBGGCYQJDTMY-YFKPBYRVSA-N 152.197 0.994 10 10 ACCE C[C@]1(O)C[C@H](O)[C@@H](N=[N+]=[N-])CO1 238493145 PNCLRTVOUCWXDS-HCWXCVPCSA-N 173.172 0.155 10 10 ACCE C[C@](N)(CCO)c1cccc(N)c1O 238502679 LAEMVYWXTANTCU-JTQLQIEISA-N 196.250 0.531 10 10 ACCE Nc1ccc(C[C@H](O)C2COC2)cc1 1885027915 KYEHPXDGHVNUEQ-NSHDSACASA-N 193.246 0.819 10 10 ACCE CC(=O)C(=O)C1(O)[C@@H]2[C@@H]3C[C@@H]4[C@H]([C@@H]32)[C@@H]41 1907702387 RIKYRMIBGAWNGG-OJEIPOMOSA-N 192.214 0.017 10 10 ACCE NC1(c2cc(O)nc(O)c2)CC=CC1 1952861041 GKFMVFZUVDSVPW-UHFFFAOYSA-N 192.218 0.997 10 10 ACCE NC[C@H](N)c1ccc(F)cc1O 72200074 JMOJJFOTIKWPIQ-ZETCQYMHSA-N 170.187 0.490 10 10 ACCE C[C@@H](CN)[C@@H](O)c1ccc(O)c(O)c1 84360957 HXJDQWUXIRNFHW-QUBYGPBYSA-N 197.234 0.726 10 10 ACCE CC[C@H](O)[C@H](CCO)N=[N+]=[N-] 238313795 MAGURYIVCNWXNT-WDSKDSINSA-N 159.189 0.819 10 10 ACCE CC(=O)OC[C@@H](O)[C@H](C)N=[N+]=[N-] 238459415 NWNVNLLKCKYBNE-UJURSFKZSA-N 173.172 0.609 10 10 ACCE O=C1N[C@H]2c3conc3C[C@H]2/C1=C/O 238609390 QEBZQZHGGZKYEO-NHMRJENISA-N 192.174 0.460 10 10 ACCE N[C@H]1CCc2cc(O)c(O)c(O)c21 238628104 BTBXMLGHLHDQBH-YFKPBYRVSA-N 181.191 0.749 10 10 ACCE NC[C@]1(c2ccccc2O)CCN1 258124536 KCGRKHDRYOKGGQ-JTQLQIEISA-N 178.235 0.540 10 10 ACCE Cn1ccc(C2=CCCNC2)cc1=O 306325467 WLXDYKJYGAOROX-UHFFFAOYSA-N 190.246 0.762 10 10 ACCE [N-]=[N+]=NCC[C@@H]1CCNC1=O 307520830 YIHOHZPQRCRDER-YFKPBYRVSA-N 154.173 0.823 10 10 ACCE CC(=O)C(=O)c1cc(C)no1 1951591172 QLWFHKINVYHAAR-UHFFFAOYSA-N 153.137 0.755 10 10 ACCE CO[C@@]1(C)CCC(=O)C(=O)C1 1953265714 BEPMYUMSLMMEIY-QMMMGPOBSA-N 156.181 0.714 10 10 ACCE CN(CCCN=[N+]=[N-])[C@H]1CCNC1 1954207075 QHAOMPVJQLYWSF-QMMMGPOBSA-N 183.259 0.981 10 10 ACCE Nc1ccc(C2=NNC(=O)NC2)cc1 34441758 KRCFPAIYHKMITR-UHFFFAOYSA-N 190.206 0.286 10 10 ACCE Cc1c(F)ccc([C@H](N)CN)c1O 72200223 XCXSMAUHUTUTKZ-MRVPVSSYSA-N 184.214 0.798 10 10 ACCE C[C@H](NC(=O)OCN=[N+]=[N-])C(=O)O 138018188 LGIMDBMMRZYGHZ-VKHMYHEASA-N 188.143 0.454 10 10 ACCE N=C(N)c1cc(O)c(O)c(O)c1 167642121 HMFSHIAGMDTXEV-UHFFFAOYSA-N 168.152 0.087 10 10 ACCE O=C1C(=O)[C@H]2CC=C[C@H]12 196414425 QPPQWRDZGMHZPN-WHFBIAKZSA-N 122.123 0.331 10 10 ACCE O=C1N[C@@H]2c3nocc3C[C@H]2/C1=C/O 238609205 WPHKJGOFCDRXKX-LMROPCIHSA-N 192.174 0.460 10 10 ACCE [N-]=[N+]=NC1[C@H](O)CCC[C@H]1O 238719074 JKIVMEBDCIVIBT-RFZPGFLSSA-N 157.173 0.571 10 10 ACCE COc1ccc(N2CC(O)C2)c(N)c1 306731358 LPZBYXIVRQNMHI-UHFFFAOYSA-N 194.234 0.458 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H]2CNC[C@@H]21 1882914063 FVRLSWAQEZIQOR-YUMQZZPRSA-N 181.243 0.590 10 10 ACCE Cn1ncnc1[C@H](O)CN=[N+]=[N-] 1912187356 HAODIWAOEXJIKD-SCSAIBSYSA-N 168.160 0.159 10 10 ACCE Cn1ccnc1C(=O)NCCN=[N+]=[N-] 1963808873 HGBWXBWZAJMECY-UHFFFAOYSA-N 194.198 0.460 10 10 ACCE Nc1cnn(-c2ccc(O)c(O)c2)c1 2069792346 JWVFEVDJZMBEAT-UHFFFAOYSA-N 191.190 0.866 10 10 ACCE [N-]=[N+]=NC[C@@H]1CN2C(=O)C[C@H]2O1 138520665 BTNALJLMOCPLIL-INEUFUBQSA-N 168.156 0.254 10 10 ACCE O=C1N[C@@H]2c3nocc3C[C@@H]2/C1=C/O 238610267 WPHKJGOFCDRXKX-SKKZGYPXSA-N 192.174 0.460 10 10 ACCE O=C1C(=O)[C@@H]2C=C[C@H]3C[C@H]3[C@H]12 238675795 TYDVCYIGTHBVSO-BDVNFPICSA-N 148.161 0.577 10 10 ACCE O=C1OCCc2ccc(O)c(O)c21 238730232 ZXTQMYFFELQQBC-UHFFFAOYSA-N 180.159 0.811 10 10 ACCE C/C(=C/C(=O)N(C)C)N=NC(N)=O 307995383 AESVMHLUJDPOBY-LRGJRNGESA-N 184.199 0.509 10 10 ACCE CC[C@H](O)CN1CC(N=[N+]=[N-])C1 1912149008 ALVBTDZSYOUHDB-ZETCQYMHSA-N 170.216 0.752 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1cccnc1 1929117639 NLAKNCLVIWNLGT-VIFPVBQESA-N 179.175 0.273 10 10 ACCE COc1cccc([C@@H](N)C(C)=O)c1O 1951968874 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GWPOOYQQINBXNF-VWDOSNQTSA-N 187.199 0.808 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H]2CNC[C@H]21 1887763155 FWAVLDXYUSOGFX-DTWKUNHWSA-N 195.270 0.981 10 10 ACCE CN(CCN=[N+]=[N-])[C@@H]1CNC[C@H]1F 1892493443 NSHAIUPUUXZENO-RNFRBKRXSA-N 187.222 0.538 10 10 ACCE CC(=O)C(=O)C1(O)CCCNCCC1 2241586167 RFBPJXUFABGHQQ-UHFFFAOYSA-N 199.250 0.039 10 10 ACCE [N-]=[N+]=NC[C@@H](O)/C=C/[C@@H](O)CN=[N+]=[N-] 238681963 QJQPOCQJZIRIRN-MXSSIIPASA-N 198.186 0.885 10 10 ACCE C[C@@H]1O[C@H](CN=[N+]=[N-])[C@H]2O[C@@H]12 306248485 UTTJHCZWJOMNEQ-BGPJRJDNSA-N 155.157 0.851 10 10 ACCE CC1(C)O[C@@H]2[C@H](O)C[C@@H](N=[N+]=[N-])[C@H]2O1 307412151 SFOBRJXNXTVDTL-DBRKOABJSA-N 199.210 0.950 10 10 ACCE CN(C)C(=O)N=NC(N)=O 334138787 RYDQGTXFAHXOCP-UHFFFAOYSA-N 144.134 0.199 10 10 ACCE C[C@@H]1[C@H](O)CN1CCCN=[N+]=[N-] 1880907149 MACXPVLJWQKFLT-RNFRBKRXSA-N 170.216 0.752 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)c2ccon2)C1 1912144183 PLCMUTWAENTULA-UHFFFAOYSA-N 193.166 0.809 10 10 ACCE CN1CC2(C1)CN(CCN=[N+]=[N-])C2 1912178268 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CCc1cc(N)c(O)c([C@H](N)CO)c1 238332895 GTXPZPVZTRLJEA-SECBINFHSA-N 196.250 0.529 10 10 ACCE C[Si](C)(C)[C@@](O)(CO)CN=[N+]=[N-] 238447726 ICLVEAPWKSRLLS-ZCFIWIBFSA-N 189.291 0.898 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC(=O)CC(=O)N1 238610052 QOHKWDKZTIPZJR-BYPYZUCNSA-N 168.156 0.144 10 10 ACCE Cc1cc(CCON)cc(O)c1O 258214288 ZSBAZNXNWFBTGL-UHFFFAOYSA-N 183.207 0.839 10 10 ACCE CC(=O)C(=O)Cn1ccnc1 306447714 VZOCOUYMGJEBOY-UHFFFAOYSA-N 152.153 0.041 10 10 ACCE CCCC[C@H](O)[C@H](O)[C@H](O)C=S 379335556 UPEGGMLFGVOVPS-RNJXMRFFSA-N 192.280 0.259 10 10 ACCE Nc1ccccc1N[C@H]1CNC[C@H]1O 1888935063 ZLCZAIHBAWJMRT-VHSXEESVSA-N 193.250 0.013 10 10 ACCE CC(=O)C(=O)[C@H](O)C1C[C@@H]2CC[C@H]2C1 1897462783 STFXUDUTNITSBM-DKCNOQQISA-N 196.246 0.942 10 10 ACCE NC[C@H](O)CCc1ccc(O)c(O)c1 1952026540 LBJBURYVRIZZEP-MRVPVSSYSA-N 197.234 0.350 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@H](C)N1 1954207899 DPQQRVQLPOYBPZ-OCAPTIKFSA-N 183.259 0.979 10 10 ACCE Nc1ccc(CN2C[C@H](O)CO2)cc1 1956947495 TXCQVNRCQUDEKD-JTQLQIEISA-N 194.234 0.377 10 10 ACCE [N-]=[N+]=NCCN(CCO)C1CC1 42480638 PIBRSPDPHVJFJF-UHFFFAOYSA-N 170.216 0.753 10 10 ACCE COc1ccc([C@H](N)CCO)c(O)c1 44232134 WQXNHEFENFAGJG-SECBINFHSA-N 197.234 0.783 10 10 ACCE Cn1ccn(CCCN=[N+]=[N-])c1=O 87666769 USPCRQGIRDYXAG-UHFFFAOYSA-N 181.199 0.887 10 10 ACCE [N-]=[N+]=CC(=O)Oc1ccccc1 113071802 UWBALSPTLHOGFE-UHFFFAOYSA-N 162.148 0.893 10 10 ACCE Cn1cc([C@@H](O)CN=[N+]=[N-])cn1 215852150 YLEPDBSGEPLIFX-LURJTMIESA-N 167.172 0.764 10 10 ACCE NC(=O)CCc1cccc(O)c1O 238539841 HDBHQGVTZFHLQP-UHFFFAOYSA-N 181.191 0.516 10 10 ACCE CO[C-](O)C1=C=C=C=C=C1NN=N 642811052 XQEZCVPVSQCCTA-UHFFFAOYSA-N 176.155 0.918 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCC2(CC2)C1 1883808097 QRRBNEWBASGHPH-SNVBAGLBSA-N 182.219 0.840 10 10 ACCE C[C@H](O)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1885667736 IYQQYBBIFLFTQB-NKWVEPMBSA-N 198.226 0.526 10 10 ACCE CNC(=O)CCN1CC(N=[N+]=[N-])C1 1912191939 YPZKUSBFIQUFSH-UHFFFAOYSA-N 183.215 0.117 10 10 ACCE Oc1cc(F)ccc1[C@H]1NCC[C@@H]1O 1952068628 DMJJWSCBBSSTHH-WCBMZHEXSA-N 197.209 0.927 10 10 ACCE Oc1cccc([C@H]2NCC[C@@H]2O)c1O 1952082144 XOXZDDHSRSGOIF-IONNQARKSA-N 195.218 0.493 10 10 ACCE COc1cccc(O)c1[C@@H](N)CO 72197489 LDYGIRDIFDYFJT-LURJTMIESA-N 183.207 0.393 10 10 ACCE C/C=C\C(=O)NCCN=[N+]=[N-] 104472717 AWKNJWQSXZSMOW-IHWYPQMZSA-N 154.173 0.989 10 10 ACCE CCc1cc([C@H](N)CO)c(O)cc1O 214882105 BGKUZDQJIRIEHI-MRVPVSSYSA-N 197.234 0.652 10 10 ACCE CO[C@@H]1C=C[C@](OC)([C@@H](C)N)O1 238381038 JWONVFZVUJXXPC-GJMOJQLCSA-N 173.212 0.235 10 10 ACCE N[C@H]1COc2ccc([N+](=O)[O-])c(O)c21 713731911 MYUJWJZSWMDSFW-BYPYZUCNSA-N 196.162 0.693 10 10 ACCE CO[C@](C)(CN)c1ccc(O)c(O)c1 1535866842 DQJKWCVAGOXSPM-SNVBAGLBSA-N 197.234 0.918 10 10 ACCE COC(=O)C1(N=[N+]=[N-])CCNCC1 1887596822 OMHGUDVCEDLMRF-UHFFFAOYSA-N 184.199 0.592 10 10 ACCE [N-]=[N+]=NCCN1CCC(CN)CC1 1954206434 GKPHBEFDIRMPRB-UHFFFAOYSA-N 183.259 0.967 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](N)C2(CC2)C1 1954207732 BAQWRZNLZBQXEV-SSDOTTSWSA-N 181.243 0.720 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H](C)C1CCC1 1954807452 MYLWGIIAUXAAOF-MUWHJKNJSA-N 184.235 0.942 10 10 ACCE C[C@](N)(C(=O)O)c1ccccc1O 104397474 DLNZMVLBTGOBCW-SECBINFHSA-N 181.191 0.651 10 10 ACCE CC(=O)[C@H](N)c1ccc(O)c(O)c1 104674376 ZHOWXFNZOCWEIY-VIFPVBQESA-N 181.191 0.687 10 10 ACCE NOCc1ccc(O)c(O)c1F 139443886 XCYAMCIVAVLRGP-UHFFFAOYSA-N 173.143 0.627 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC=C[C@H](CO)NC1=O 140881276 WOPSCKNASRPIPA-RNFRBKRXSA-N 196.210 0.492 10 10 ACCE CO[C@H]1OCC[C@H](N=[N+]=[N-])[C@@H]1O 238374289 AVMONFYEEUTMAX-ZLUOBGJFSA-N 173.172 0.419 10 10 ACCE C[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@H]1O 306377505 SFENFMIMEVRUMF-JKUQZMGJSA-N 155.157 0.959 10 10 ACCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CC[C@H](C1)O2 1885622266 CYSZKOQZCPLCNW-MBTKJCJQSA-N 198.218 0.217 10 10 ACCE CNc1cccc(O)c1CN 95722737 IKMNRVIKQMMLHQ-UHFFFAOYSA-N 152.197 0.893 10 10 ACCE CC(=O)[C@H](N)c1cc(N)ccc1O 104671863 CBPOLVJSGDNOAR-VIFPVBQESA-N 180.207 0.563 10 10 ACCE Cc1cc(O)c([C@H](O)CN)s1 106083001 POTIKLZGHOSCOE-ZCFIWIBFSA-N 173.237 0.754 10 10 ACCE [N-]=[N+]=N[C@H]1CNC(=O)O1 164730651 XDIYMZBWGIDGBK-UWTATZPHSA-N 128.091 0.363 10 10 ACCE [N-]=[N+]=NCCNC1(C(=O)O)CC1 236411759 GKSJMEHRHKZFSO-UHFFFAOYSA-N 170.172 0.504 10 10 ACCE COC(=O)[C@H](CN=[N+]=[N-])OC(C)=O 238799381 LCOZOOORMSUJAO-YFKPBYRVSA-N 187.155 0.401 10 10 ACCE CCn1ccc(C[C@@H](C)N)cc1=O 257956507 WXYDKWJABPCFRU-MRVPVSSYSA-N 180.251 0.758 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2C1=O 715694258 PKGMSDINBOHDLW-NTSWFWBYSA-N 166.184 0.775 10 10 ACCE NCC1=S=NC/C1=C1\N=CCS1 725606555 GHOMFVUGKVEVNK-ALCCZGGFSA-N 199.304 0.427 10 10 ACCE Cn1ncnc1[C@H](O)CN=[N+]=[N-] 1912192520 HAODIWAOEXJIKD-SCSAIBSYSA-N 168.160 0.159 10 10 ACCE CO[C@H](C)C(=O)N1CC(N=[N+]=[N-])C1 1912193153 CBYCJDZEIWUZIS-RXMQYKEDSA-N 184.199 0.542 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@@]2(C)CCO[C@@H]12 1933397599 JOFNCKJJXPKCFA-OPRDCNLKSA-N 198.218 0.075 10 10 ACCE CC(C)N1C[C@H](O)[C@H](N=[N+]=[N-])C1 1935106187 QKZWBBQSUDNFEE-RQJHMYQMSA-N 170.216 0.750 10 10 ACCE [N-]=[N+]=NC1CN(C[C@@]2(O)CCOC2)C1 1956738534 FYNCVHPRCKLKEJ-QMMMGPOBSA-N 198.226 0.132 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@@H]2CNC[C@@H]21 1957243185 DCAMLVMQNUMFDA-BDAKNGLRSA-N 195.270 0.981 10 10 ACCE C[C@H](NN)c1cc([N+](=O)[O-])ccc1O 2070174503 BYESEKBJMIGGBO-YFKPBYRVSA-N 197.194 0.825 10 10 ACCE O=C1O[C@@H](c2ccccc2)C(=O)C1=O 33902829 OIYUNDWAIWJGBI-VIFPVBQESA-N 190.154 0.423 10 10 ACCE CCCN[C@H](CN=[N+]=[N-])C(N)=O 85621937 ZDIHAYDRSZTOEC-RXMQYKEDSA-N 171.204 0.150 10 10 ACCE CCOC(=O)COCCN=[N+]=[N-] 147649625 ZMQQDISIMRVKLC-UHFFFAOYSA-N 173.172 0.876 10 10 ACCE C[C@@H](N=[N+]=[N-])C(=O)OCCN(C)C 238409019 SZUVBXPDRIVTJJ-ZCFIWIBFSA-N 186.215 0.790 10 10 ACCE C[C@H](N=[N+]=[N-])C(=O)NC(=O)CN=[N+]=[N-] 238458476 ZZKMZLHYKPKZFQ-VKHMYHEASA-N 197.158 0.638 10 10 ACCE C[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1N=[N+]=[N-] 238508357 ACUQKGTUEJYYET-ARQDHWQXSA-N 173.172 0.153 10 10 ACCE NC(=O)/N=N/c1cccc(C(N)=O)c1 306299923 FYMCICGEGWOUKR-VAWYXSNFSA-N 192.178 0.948 10 10 ACCE COC(=O)[C@H](CN=[N+]=[N-])NC1CCC1 712392289 RFAZCWKBUOYAPW-ZETCQYMHSA-N 198.226 0.980 10 10 ACCE CN(C)Cc1cc(CNN)ccc1O 1535710112 NQQXWACLELMUPT-UHFFFAOYSA-N 195.266 0.417 10 10 ACCE C[C@@H](O)Cc1cc(O)nc(O)c1 1952061899 WYQJFCIEAGYYJB-RXMQYKEDSA-N 169.180 0.416 10 10 ACCE CC[C@H](O)[C@@]1(OC)C=C[C@H](OC)O1 5665350 LIHANRBIPQOTFY-DJLDLDEBSA-N 188.223 0.659 10 10 ACCE NC[C@@H](N)c1cccc(C(=O)O)c1O 72200465 XAHJXLZHGGBZAX-SSDOTTSWSA-N 196.206 0.049 10 10 ACCE CCNCc1c(O)cc(O)cc1O 82727017 QYWLYRTZQGKFER-UHFFFAOYSA-N 183.207 0.913 10 10 ACCE CC(=O)C(=O)CSc1cccnn1 388646387 QHQYYOOENHQYET-UHFFFAOYSA-N 196.231 0.727 10 10 ACCE CC(=O)C(=O)[C@H](O)c1cc(C)co1 1929205286 LCSYRDQVQBBDGB-SECBINFHSA-N 182.175 0.780 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CCC[C@@H]1C 1930429208 JLZZLOIRWVPHAV-KADJCCMJSA-N 184.235 0.942 10 10 ACCE Nc1cc([C@H](N)CO)c(O)cc1F 72197570 QQIPCIZMHCYFJN-SSDOTTSWSA-N 186.186 0.106 10 10 ACCE CCc1cccc([C@H](N)CN)c1O 72200143 YFQUODQTWMVLNZ-SECBINFHSA-N 180.251 0.913 10 10 ACCE NCCc1nc2cc(O)c(O)cc2o1 82387576 XZHHYASHCDMAJN-UHFFFAOYSA-N 194.190 0.740 10 10 ACCE N[C@H]1CCN[C@H]1c1ccccc1O 84334121 OURIUVOHGHNSSU-WPRPVWTQSA-N 178.235 0.754 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@@H](C(N)=O)C[C@H]1O 202797935 SCYNLSVBPMUQTJ-HSUXUTPPSA-N 184.199 0.312 10 10 ACCE CO[C@@H]1[C@H](N=[N+]=[N-])C(=O)N1CC(C)=O 238359713 WSYRAFSHEOHSSW-IYSWYEEDSA-N 198.182 0.069 10 10 ACCE COC(=O)C(CN=[N+]=[N-])C(=O)OC 238367563 RPTYYHFGQBGKAY-UHFFFAOYSA-N 187.155 0.259 10 10 ACCE [N-]=[N+]=Cc1ccc(F)cn1 307501214 IEKICDOTRDLRIV-UHFFFAOYSA-N 137.117 0.869 10 10 ACCE Oc1cccc(OC2CNC2)c1O 1535730794 CSBSPDBTDOKYOB-UHFFFAOYSA-N 181.191 0.448 10 10 ACCE C[C@@H](NCc1ccc(N)cc1)C(N)=O 1884693221 FJXDXNAUUDMBCL-SSDOTTSWSA-N 193.250 0.232 10 10 ACCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CC[C@@H]2C1 1929240015 HFLXWFQDNUYLQZ-MBTKJCJQSA-N 182.219 0.696 10 10 ACCE CN(CCN=[N+]=[N-])C[C@H]1CCNC1 1954207457 WMRBAEVXRQQIHO-QMMMGPOBSA-N 183.259 0.838 10 10 ACCE C[C@H](N)Cc1cc(O)c(O)c(O)c1 33861505 GYQMECTUTWANKQ-YFKPBYRVSA-N 183.207 0.693 10 10 ACCE COc1ccc(C)c([C@@H](N)CN)c1O 72200496 FGUBEMWMGFCZQB-ZETCQYMHSA-N 196.250 0.668 10 10 ACCE N[C@H](CO)c1cc2c(cc1O)CCO2 107361186 BZHKLERQVPMZPH-MRVPVSSYSA-N 195.218 0.319 10 10 ACCE CCC(N=[N+]=[N-])(C(=O)O)C(=O)O 238205358 FKRKSFULAXMNBY-UHFFFAOYSA-N 173.128 0.615 10 10 ACCE CN[C@H](CO)c1c(C)cccc1O 238356708 JJHZXPGRXMTXKR-MRVPVSSYSA-N 181.235 0.953 10 10 ACCE CS(C)=C(C=O)C=O 238398019 CPOPDILWICGKMG-UHFFFAOYSA-N 132.184 0.085 10 10 ACCE Cc1c(O)ccc([C@H](N)[C@H](C)O)c1O 238465876 INNSAUPYFZELCH-IMTBSYHQSA-N 197.234 0.787 10 10 ACCE O=C1N[C@H]2c3cc[nH]c3C[C@@H]2/C1=C/O 238609757 ZOHVMLBFFGOJGQ-KQFVUNTQSA-N 190.202 0.800 10 10 ACCE Oc1ccc(O)c2c1CNC2 259471656 WUDRWKHMLSWJPM-UHFFFAOYSA-N 151.165 0.701 10 10 ACCE O=C1C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2CC1 307613408 LSIXDSZJYMMBDX-DKXJUACHSA-N 162.188 0.967 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2NCC[C@@H]2C1 1887738011 JUWKXQHLPAHQOH-RKDXNWHRSA-N 195.270 0.981 10 10 ACCE CN(Cc1ccccc1O)C(=N)NN 1889467216 KMXWACPAZZDREV-UHFFFAOYSA-N 194.238 0.222 10 10 ACCE CCCN(CCN)CCN=[N+]=[N-] 1953751163 HQYZHJSJXOHLLR-UHFFFAOYSA-N 171.248 0.967 10 10 ACCE CN[C@@H](Cc1ccc(N)cc1)C(=O)O 76169699 AKIXKOYCQUTAPE-VIFPVBQESA-N 194.234 0.484 10 10 ACCE CNCc1cc(O)c(CNC)cc1O 197649272 PFRHCBPIBJMKBD-UHFFFAOYSA-N 196.250 0.537 10 10 ACCE Nc1cccc([C@H](N)CCO)c1O 238676775 WPMDZOVNTIQUSN-SSDOTTSWSA-N 182.223 0.357 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 238695090 QYYNSPGJENPPJY-JGWLITMVSA-N 198.186 0.860 10 10 ACCE Cc1cc(C(=O)CN)c(F)c(O)c1O 258071632 IDVGIWCINCWQAH-UHFFFAOYSA-N 199.181 0.687 10 10 ACCE CN(C)c1ccc([C@H]2C[N@]2N)cc1 1857805696 NMYICDGCVMRLRF-MFKMUULPSA-N 177.251 0.983 10 10 ACCE CCN(C=O)CCN=[N+]=[N-] 1887717165 HKDDZZHRSFHSGR-UHFFFAOYSA-N 142.162 0.775 10 10 ACCE CO[C@H](C)C(=O)[C@H]1CCC(=O)C1=O 1932573233 GINAYRVQYXBELA-PHDIDXHHSA-N 184.191 0.139 10 10 ACCE O=C(O)[C@H]1C[C@@H]1c1cc(O)nc(O)c1 1952059598 MTQGOJACLXPLAW-RITPCOANSA-N 195.174 0.681 10 10 ACCE CC(=O)C(=O)c1c[nH]nc1[N+](=O)[O-] 1952882512 CQIWMMQUANGGOM-UHFFFAOYSA-N 183.123 0.090 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCC[C@]1(C)CN 2241890356 HEEDEWGLAKSPSB-ZJUUUORDSA-N 199.250 0.025 10 10 ACCE CN(C)C(=O)CCN=[N+]=[N-] 42391426 IXYUXRHVGMJWLB-UHFFFAOYSA-N 142.162 0.775 10 10 ACCE Cc1cc(O)c([C@@H](N)CO)s1 108290446 RIDJJPYSCMPOAP-YFKPBYRVSA-N 173.237 0.754 10 10 ACCE N[C@@H](C(=O)O)c1cc(S)ccc1O 220811681 XIKCIXOCTVHRBL-SSDOTTSWSA-N 199.231 0.765 10 10 ACCE COC(=O)c1scc(N)c1O 238371032 FNFWLPGWMDGMNV-UHFFFAOYSA-N 173.193 0.823 10 10 ACCE Nc1ccc(NC[S@](=O)O)cc1 238605277 KBBFPDTXRXMWEM-UHFFFAOYSA-N 186.236 0.860 10 10 ACCE CN(C)c1ccc(O)c([C@@H](N)CO)c1 258131489 ROKDMHMFMNDIPE-VIFPVBQESA-N 196.250 0.450 10 10 ACCE N[C@H]1COCc2cc(O)c(O)c(O)c21 713769998 MURADPZWYZGCSR-YFKPBYRVSA-N 197.190 0.333 10 10 ACCE CNC(=N)NCc1cccc(C)c1O 1904108308 SRZJZGNLHPHATG-UHFFFAOYSA-N 193.250 0.944 10 10 ACCE Nc1ccc(CNC2COC2)cc1 1929711157 PXZFWKWAYPMLRZ-UHFFFAOYSA-N 178.235 0.757 10 10 ACCE CC(=O)C(=O)c1ncccc1F 1951917273 BIYLPLGHGBAIAD-UHFFFAOYSA-N 167.139 0.992 10 10 ACCE Oc1cccc(F)c1[C@@H]1C[C@@H](O)CN1 1952064088 IDQKOGBAKGTROD-SVRRBLITSA-N 197.209 0.927 10 10 ACCE C[C@H](OCc1ccc(N)cc1)C(N)=O 20390977 WCLKMCGQXAJMFB-ZETCQYMHSA-N 194.234 0.659 10 10 ACCE CC[C@H](C)N[C@H](CN=[N+]=[N-])C(N)=O 85622008 UMORGZJARWGZQM-NTSWFWBYSA-N 185.231 0.539 10 10 ACCE C[C@H]1C/C(=C\O)C(=O)O1 205903576 HGECVEUOGLVVSV-MXFQXMHVSA-N 128.127 0.764 10 10 ACCE CN[C@@H](CO)c1c(O)cc(O)cc1O 211772631 PPRIKZZSEKXOEN-LURJTMIESA-N 199.206 0.056 10 10 ACCE COC(=O)[C@@H]1O[C@@H](CN=[N+]=[N-])[C@@H]1F 238356785 BILKUVGSPGBGST-VAYJURFESA-N 189.146 0.575 10 10 ACCE NC1(c2ccccc2O)CC(=O)C1 259841027 VPLVRUHJKISFJR-UHFFFAOYSA-N 177.203 0.909 10 10 ACCE O=C(c1ccc(O)c(O)c1)N1CCC1 307062962 NUBJAUSBLFUJIY-UHFFFAOYSA-N 193.202 0.944 10 10 ACCE C[C@@H](O)[C@H](O)CNc1ccc(N)cc1 717341899 AMCFBLDEDXJWQA-GMSGAONNSA-N 196.250 0.422 10 10 ACCE [N-]=[N+]=N[C@@H](CO)C(F)F 1536213772 ZFVSWRYLTDGVEK-REOHCLBHSA-N 137.089 0.923 10 10 ACCE Nc1ccc(N2C[C@H](O)[C@H](F)C2)cc1 1929873022 VOLRGKGWOKAXFL-ZJUUUORDSA-N 196.225 0.788 10 10 ACCE C[C@@H](N)[C@H](O)c1ccc(O)c(O)c1O 1951964932 FJDHJEGWEVZHRA-FBCQKBJTSA-N 199.206 0.184 10 10 ACCE NNCc1c(O)cccc1[N+](=O)[O-] 1952058013 BHFNEHMGJWPHIE-UHFFFAOYSA-N 183.167 0.264 10 10 ACCE C[C@H]1C[C@@]1(N)Cc1cc(O)nc(O)c1 1952136269 RRPNGAXYIBLWGA-QUBYGPBYSA-N 194.234 0.773 10 10 ACCE NC[C@H]1OC(=O)c2cc(O)c(O)cc21 33875195 ZXUQMHPTGVFUHP-MRVPVSSYSA-N 195.174 0.268 10 10 ACCE [N-]=[N+]=N[C@H]1OCC[C@H]1CO 38220217 CTPUOYUPUQBRGP-WHFBIAKZSA-N 143.146 0.652 10 10 ACCE Cc1cccc([C@@H]2CNCCN2)c1O 95691002 SKEDKFSHQQTDSC-JTQLQIEISA-N 192.262 0.935 10 10 ACCE CC1CC(=O)C(=O)C1 107114327 WAYQDZIRAKTLSD-UHFFFAOYSA-N 112.128 0.555 10 10 ACCE CN(CCN=[N+]=[N-])C(=O)CCO 1881252488 SEYBRDYBRKOVGB-UHFFFAOYSA-N 172.188 0.138 10 10 ACCE CC[C@H](N)[C@H]1CCC(=O)C1=O 1932573145 FGVTZRLDWPEKLR-RITPCOANSA-N 155.197 0.272 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1N 1953758920 RYMXHCCKTZSPHM-BQBZGAKWSA-N 169.232 0.576 10 10 ACCE [N-]=[N+]=NC[C@@H]1NCC(F)(F)CO1 2297000579 RUCNYIYMQKFAHR-SCSAIBSYSA-N 178.142 0.878 10 10 ACCE COC(=O)C[C@@H](N)c1ccccc1O 74245213 AZOZVIOCYUYFKX-MRVPVSSYSA-N 195.218 0.955 10 10 ACCE OCCc1ccc(O)c([C@H]2CCN2)c1 104456678 JXEPAPGILQHJGS-SNVBAGLBSA-N 193.246 0.961 10 10 ACCE CNC(=O)c1ccc(O)c(O)c1O 139664714 VDOSPMZCUDRQGT-UHFFFAOYSA-N 183.163 0.163 10 10 ACCE CCN1CC[C@H](N)[C@H]1CN=[N+]=[N-] 642869249 GRFYKJQMSLMFKD-NKWVEPMBSA-N 169.232 0.718 10 10 ACCE C[C@](N)(CO)CNc1ccc(N)cc1 1888933523 LIRAFCBLDPHIHP-SNVBAGLBSA-N 195.266 0.390 10 10 ACCE CO/N=[N+](/[O-])CCN=[N+]=[N-] 5526071 TWYVMJOURCJRJW-BQYQJAHWSA-N 145.122 0.821 10 10 ACCE C[C@H](O)NCc1cc(N)ccc1O 59668521 ZMQZZCYAZSTISJ-LURJTMIESA-N 182.223 0.402 10 10 ACCE CC=[N+]=[N-] 100076881 WLXALCKAKGDNAT-UHFFFAOYSA-N 56.068 0.307 10 10 ACCE in-vitro COC(=O)[C@H](O)[C@H](F)CN=[N+]=[N-] 196815572 DTRYOKAEEIQFJK-QWWZWVQMSA-N 177.135 0.169 10 10 ACCE NC(=O)[C@H](N)c1cc(F)ccc1O 236300351 QJSILYNTMMPLKO-SSDOTTSWSA-N 184.170 0.016 10 10 ACCE CCNC[C@]1(OC)C=C[C@@H](OC)O1 238251550 RFFJKZFXLSGULH-IUCAKERBSA-N 187.239 0.498 10 10 ACCE CO[C@@H]1O[C@H](CN)CC[C@@H]1N=[N+]=[N-] 238350263 WXPLGFJJGLYUEN-LYFYHCNISA-N 186.215 0.776 10 10 ACCE COC[C@H](CN)N=[N+]=[N-] 403608426 HFYDHAAOTVAFEQ-BYPYZUCNSA-N 130.151 0.270 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](F)[C@H](O)C1 1912207298 NQVDSUQMLVBPLD-NKWVEPMBSA-N 188.206 0.701 10 10 ACCE CC(=O)C(=O)C1(O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21 1953826417 UVEOAAHCPIYYSL-WCTZXXKLSA-N 180.203 0.161 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H]2CNC[C@H]2C1 1957248964 GUDJGMYKBNBUER-IUCAKERBSA-N 195.270 0.838 10 10 ACCE NC[C@@H]1Cc2cc(O)c(O)cc21 29207871 HDAUSHHYPMFDBA-LURJTMIESA-N 165.192 0.696 10 10 ACCE N[C@@H](CO)c1cc(C(=O)O)ccc1O 72197796 ZIWCQTHOHRYIAO-ZETCQYMHSA-N 197.190 0.083 10 10 ACCE [N-]=[N+]=NC/C=C/[C@H](O)[C@H](O)/C=C/CO 218396082 VIXVJGSBVDIGJV-PUUDFLBPSA-N 199.210 0.123 10 10 ACCE C[C@@H]1NC(=O)[C@@H]1N=[N+]=[N-] 219591058 ZJQBJVFDUNWFGW-STHAYSLISA-N 126.119 0.184 10 10 ACCE [N-]=[N+]=NC([C@H]1CO1)[C@H]1CO1 222077300 SVCOLFUHFBUNJL-QWWZWVQMSA-N 141.130 0.463 10 10 ACCE C=Cn1nnc(CN=[N+]=[N-])n1 238139721 ISYHZJJLPMIIPB-UHFFFAOYSA-N 151.133 0.584 10 10 ACCE O=C1C(=O)[C@@H]2[C@H]3[C@@H]4[C@H]5[C@H]([C@H]1[C@H]53)[C@@H]42 306550251 VKMYNRCHXYJHFV-PKFFJOSTSA-N 160.172 0.122 10 10 ACCE CO[C@H]1OC[C@H]2O[C@H]2[C@H]1N=[N+]=[N-] 306647092 PCABGOUIXYQHDY-KAZBKCHUSA-N 171.156 0.435 10 10 ACCE CC(C)[S@@](=O)NCCN=[N+]=[N-] 385411828 AEJXEWVUSDWXTM-LLVKDONJSA-N 176.245 0.958 10 10 ACCE COc1cc(C(=N)N)cc(O)c1O 1535810228 ZQAPCUBAGAZISW-UHFFFAOYSA-N 182.179 0.390 10 10 ACCE CN(C)c1ccc([C@@H]2C[N@]2N)cc1 1857805694 NMYICDGCVMRLRF-GWCFXTLKSA-N 177.251 0.983 10 10 ACCE CO[C@@H](C)[C@@H](O)CN=[N+]=[N-] 1880094701 CDMPIAYZAZWBDF-WHFBIAKZSA-N 145.162 0.693 10 10 ACCE C[C@@H](O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1882336415 NWDNDNHLNJXQNH-PHDIDXHHSA-N 184.199 0.278 10 10 ACCE C[C@@H](C(=O)N(C)C)N1CC(N=[N+]=[N-])C1 1912160648 YXLPNPJVLYACGA-LURJTMIESA-N 197.242 0.458 10 10 ACCE CC(=O)C(=O)c1cc(C)n(C)n1 1951570953 ABIAYOVCROSWDP-UHFFFAOYSA-N 166.180 0.500 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1[C@@H]2CNC[C@@H]21 1954208000 GCYGTWMXNOLJEW-JIGDXULJSA-N 181.243 0.446 10 10 ACCE CCOC(=O)C1CN(CCN=[N+]=[N-])C1 1957228751 FCSVXFDWQFLEBS-UHFFFAOYSA-N 198.226 0.792 10 10 ACCE Nc1ccc(O[C@H]2CCOC2=O)cc1 19817974 QSPPBPKURWULMZ-VIFPVBQESA-N 193.202 0.963 10 10 ACCE COC(=O)[C@@H](N)c1cccc(C)c1O 95639349 KHZRMZHPCIVPKA-QMMMGPOBSA-N 195.218 0.873 10 10 ACCE O=C1N[C@@H](c2cccc(O)c2O)CO1 95686485 BHKANTSZMZKAQP-ZCFIWIBFSA-N 195.174 0.879 10 10 ACCE C[C@H](O)[C@@H](N)c1cc(N)ccc1O 104673592 QFWMDMYDTSBKHC-SSDLBLMSSA-N 182.223 0.355 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)[C@H]2C[C@@H]2C1=O 113289383 DMMRJPXLPZVUIG-WDSKDSINSA-N 194.194 0.692 10 10 ACCE O=C(C(=O)C(F)(F)F)C(F)F 196122587 MOBAGUVXWZESTK-UHFFFAOYSA-N 176.040 0.952 10 10 ACCE Cc1cc(N)c(O)c([C@](C)(N)CO)c1 211594134 CDOAAHQXEZNWSE-SNVBAGLBSA-N 196.250 0.449 10 10 ACCE COC(=O)[C@@H](F)CC(=O)CN=[N+]=[N-] 238360522 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[N-]=[N+]=N[C@@H]1[C@@H](O)[C@@H]2C[C@@H]1C=C2CO 238701979 HFYZTRHMUITJTI-UCVXFZOQSA-N 181.195 0.595 10 10 ACCE Nc1ccc(N2CCN[C@@H]3C[C@@H]32)cc1 1888906073 YAOADYWEMJJDDD-MNOVXSKESA-N 189.262 0.819 10 10 ACCE C[C@@H](N)[C@H](O)Cc1ccc(O)c(O)c1 1951860140 NMVINTKAVLWKPH-HZGVNTEJSA-N 197.234 0.348 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC=O 2208941334 QDXDQSVFMUTXLI-PHDIDXHHSA-N 154.173 0.964 10 10 ACCE N[C@H]1COc2cc(O)c(O)cc21 104664784 ORJZCNCIBODWKI-YFKPBYRVSA-N 167.164 0.490 10 10 ACCE C[C@@H](N=[N+]=[N-])[N+](=O)[O-] 196001578 QFEUVXCVGWDOTO-REOHCLBHSA-N 116.080 0.919 10 10 ACCE C[C@H]1CN(C)CCN1CCN=[N+]=[N-] 235581408 VEULKALCZRQGFL-QMMMGPOBSA-N 183.259 0.933 10 10 ACCE NCc1cc2c(c(F)c1O)OCCO2 258022609 DQYNXCJVVMMBNI-UHFFFAOYSA-N 199.181 0.761 10 10 ACCE CO[C@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 709679228 UXQXAOSJROMROZ-RITPCOANSA-N 184.199 0.448 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2COC[C@@H]21 1881020728 GYDAQIFGBCUTSL-BQBZGAKWSA-N 168.200 0.627 10 10 ACCE Nc1ccccc1N[C@@H]1CNC[C@@H]1O 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SLGHFUVKXLHQGX-HTQZYQBOSA-N 181.243 0.577 10 10 ACCE CC1(C)C(=O)NCCN1CCN=[N+]=[N-] 82475695 DGMQHPNRWQLEMS-UHFFFAOYSA-N 197.242 0.507 10 10 ACCE C[C@@](N)(CO)c1c(O)cccc1O 95747759 REJGNCHNSXABHH-SECBINFHSA-N 183.207 0.264 10 10 ACCE CC(=O)C(N=[N+]=[N-])C(C)=O 108412582 MPTXHGKAUOJYPA-UHFFFAOYSA-N 141.130 0.843 10 10 ACCE N[C@H](CO)c1c(O)ccc2c1OCO2 212165655 YEYBRLVSVCULSP-RXMQYKEDSA-N 197.190 0.113 10 10 ACCE CO[C@H](C)C(=O)[C@H]1CCCC(=O)C1=O 725257671 VPUVTRYMDPGDPS-RNFRBKRXSA-N 198.218 0.529 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1CCC(=O)NC1 1886155955 NTMLSNSUJRZCKV-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE Oc1c(F)cccc1[C@H]1C[C@@H](O)CN1 1952070610 LVWULPSRTSUKMU-HZGVNTEJSA-N 197.209 0.927 10 10 ACCE CCCN(CCN=[N+]=[N-])C1CNC1 1954207039 PMUZEJFGXHEKMT-UHFFFAOYSA-N 183.259 0.981 10 10 ACCE CC1=C/C(=C\N(C)C)C(=O)O1 18030989 XLSZOIGPOCECOQ-FNORWQNLSA-N 153.181 0.893 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)[C@H]2C[C@H]2C1=O 82924052 DMMRJPXLPZVUIG-OLQVQODUSA-N 194.194 0.692 10 10 ACCE CC(C)N[C@H](CN=[N+]=[N-])C(N)=O 85621887 FVRLVXXGEQWKTC-RXMQYKEDSA-N 171.204 0.149 10 10 ACCE CC[C@@H](C)N[C@@H](CN=[N+]=[N-])C(N)=O 85621999 UMORGZJARWGZQM-RITPCOANSA-N 185.231 0.539 10 10 ACCE COC(=O)[C@@H](CN=[N+]=[N-])NCC1CC1 85622248 CGOMIQSOTLGZDL-SSDOTTSWSA-N 198.226 0.838 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC[C@@H](CO)O1 213882120 AQQMOBMMRBLTGD-WDSKDSINSA-N 157.173 0.837 10 10 ACCE CC(=S)[C@@H](C)[C@H](N)C(=O)O 238433528 JCMOYRQFEJXVLJ-WUJLRWPWSA-N 161.226 0.424 10 10 ACCE CCN(CCN=[N+]=[N-])C[C@H](C)O 692156797 HOAGSIQPHBBOTL-ZETCQYMHSA-N 172.232 0.999 10 10 ACCE [N-]=[N+]=NC[C@H]1[C@H]2CNC[C@@H]12 1880068684 BCBWMVJRTFUSHG-FPFOFBBKSA-N 138.174 0.762 10 10 ACCE C[C@@H](N)[C@H](O)CN=[N+]=[N-] 1912144512 UJCGILXDSMKBNY-QWWZWVQMSA-N 130.151 0.005 10 10 ACCE [N-]=[N+]=NC1CN(C[C@H]2CCOCO2)C1 1912160255 STXIKXKKVCHSOY-MRVPVSSYSA-N 198.226 0.744 10 10 ACCE [N-]=[N+]=NC1CN([C@H]2CCCNC2=O)C1 1912169208 ZTVJOSSNGRIFEB-ZETCQYMHSA-N 195.226 0.260 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@H]2OCC[C@H]2N1 1912173445 MSPYGMLYRWBTME-RRKCRQDMSA-N 168.200 0.816 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCOCC1 1929204111 AXFFYARBQJCFMG-SECBINFHSA-N 186.207 0.076 10 10 ACCE O=C1C[C@@H](c2c(O)cc(O)cc2O)N1 1951656708 FQAADOARRXKNRF-YFKPBYRVSA-N 195.174 0.364 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H](CN)C1 1954207279 TXRBVZRUQAZOON-MRVPVSSYSA-N 183.259 0.967 10 10 ACCE CNC(=O)[C@@H]1CCCN1CCN=[N+]=[N-] 42396290 ULISNLSDLOFQCM-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE Nc1cc([N+](=O)[O-])c(O)c(O)c1O 83164986 ZUAQIAPMHXRKSJ-UHFFFAOYSA-N 186.123 0.294 10 10 ACCE Oc1cccc([C@@H]2COCCN2)c1O 95692883 FSGRNEUWSBPAGC-QMMMGPOBSA-N 195.218 0.759 10 10 ACCE CN(C)[C@@H](CN)c1ccc(O)c(O)c1 139217138 HSHVRJLPSXPVAI-QMMMGPOBSA-N 196.250 0.659 10 10 ACCE C[C@H]1OC(N)=CC1=S 198084751 TYNJQUWJODDGLI-GSVOUGTGSA-N 129.184 0.575 10 10 ACCE CCOC[C@@H](N=[N+]=[N-])[C@@H](O)CO 238286447 PWUXFHTYOZWWDU-RITPCOANSA-N 175.188 0.055 10 10 ACCE COc1cccc([C@](C)(N)CO)c1O 238395556 QMBLWKCLXOTSNY-SNVBAGLBSA-N 197.234 0.567 10 10 ACCE O=C1N[C@H]2c3ncoc3C[C@H]2/C1=C/O 238609525 YBIDAFSNBWHNKZ-JUKYBZQHSA-N 192.174 0.460 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1O 306774232 VISLQXVZGBJEOF-RQJHMYQMSA-N 170.216 0.609 10 10 ACCE CNC(=O)CN1CCC[C@H](N=[N+]=[N-])C1 1912191947 YRPKJZQEYVWWPS-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccncc1F 1935437756 DHFBFZGJGHTKMQ-VIFPVBQESA-N 197.165 0.412 10 10 ACCE O=C1C[C@H](c2cc(O)nc(O)c2)N1 1952308138 ICXCRNAENPNOLI-RXMQYKEDSA-N 180.163 0.054 10 10 ACCE Cc1cc(C)c([C@@H](N)CN)c(O)c1 72200150 OXWBDMQTIZZCSS-QMMMGPOBSA-N 180.251 0.968 10 10 ACCE [N-]=[N+]=NCCCC[C@@H](O)CO 138783030 FQHAMAXIBUEHDH-ZCFIWIBFSA-N 159.189 0.820 10 10 ACCE CCOC(=O)/C(=C\O)NC(C)=O 220054170 LXZZHHSJUMHQIA-GQCTYLIASA-N 173.168 0.085 10 10 ACCE CN(CCO)Cc1cc(O)ccc1O 238311758 JXGNHEITMAUXOO-UHFFFAOYSA-N 197.234 0.522 10 10 ACCE C[C@](N)(CO)c1cc(CN)ccc1O 238506299 FARLBBXIJVBREB-JTQLQIEISA-N 196.250 0.017 10 10 ACCE Cc1cccc(O)c1[C@@H](N)C(=O)O 238535850 FWRFATRPTBMCSL-MRVPVSSYSA-N 181.191 0.785 10 10 ACCE [N-]=[N+]=C1C=CC2=NC(=O)CCC2=C1 1891491666 KEQJQWCBNGMRHX-UHFFFAOYSA-N 173.175 0.915 10 10 ACCE CC(=O)C(=O)[C@](C)(O)Cc1ccco1 1918966993 CBEHKZNCLYFYPW-SNVBAGLBSA-N 196.202 0.731 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]2C[C@@H]21 1929241916 FXTKUMTYBUWRBX-BKPPORCPSA-N 168.192 0.306 10 10 ACCE CC1(C)COCC(=O)C1=O 1929878775 BQFKTZAYELLQND-UHFFFAOYSA-N 142.154 0.181 10 10 ACCE CS[C@H](C)C(=O)C(C)=O 1951498697 SZXKUKIQLYXVJF-RXMQYKEDSA-N 146.211 0.896 10 10 ACCE CO[C@@H](CN)c1cc(O)nc(O)c1 1952074022 YCMHNAOSDBJAPJ-LURJTMIESA-N 184.195 0.139 10 10 ACCE NC1(c2ccc(F)cc2O)CC(O)C1 1952149832 UMAQJRZUDPCQHL-UHFFFAOYSA-N 197.209 0.840 10 10 ACCE C[C@@H](N)[C@H]1CN(CCN=[N+]=[N-])CCO1 1957244240 ODYCUXBSSQXDRM-HTQZYQBOSA-N 199.258 0.345 10 10 ACCE CC[C@H]1C[C@@H]1COc1nnc(=N)[nH]n1 2209559501 FOZGWCRYZNQQBU-NTSWFWBYSA-N 195.226 0.104 10 10 ACCE Oc1cc(O)c([C@H]2CCN2)c(O)c1 95784495 CRQSTKOIUKPSQX-ZCFIWIBFSA-N 181.191 0.838 10 10 ACCE O=C(O)[C@@H]1CNc2ccccc2N1 95923008 VRRWYUWUFBCTEZ-QMMMGPOBSA-N 178.191 0.977 10 10 ACCE O=C1CCCC[C@H](O)C1=O 200065726 JEFQRGWZZSOFBT-YFKPBYRVSA-N 142.154 0.060 10 10 ACCE CC(=O)N[C@@H](C(=O)C(C)=O)C(C)(C)C 238106344 YZIDWIQNUAKPKF-VIFPVBQESA-N 199.250 0.695 10 10 ACCE CO[C@@H]1COC[C@H](CN=[N+]=[N-])O1 238330997 MWJDUPVEVJNSDR-WDSKDSINSA-N 173.172 0.685 10 10 ACCE Cc1cc(O)c([C@H](N)CN)cc1O 238475619 DZHVNPXLZWYOJB-SSDOTTSWSA-N 182.223 0.365 10 10 ACCE Cn1nccc1[C@@H](CO)N=[N+]=[N-] 1535780852 ZPGRZUNBJJSEFE-RXMQYKEDSA-N 167.172 0.764 10 10 ACCE CC(C)[C@H](N)[C@@H](O)CN=[N+]=[N-] 1912153849 JPZXTXDWVVJRRG-WDSKDSINSA-N 158.205 0.641 10 10 ACCE CC(=O)NCCN1CC[C@H](N=[N+]=[N-])C1 1912183240 MVLQHAQSHDIXAC-QMMMGPOBSA-N 197.242 0.507 10 10 ACCE CONCc1ccc(N)cc1 1929711140 PTPGCDJCISADMG-UHFFFAOYSA-N 152.197 0.920 10 10 ACCE OCc1ccc(N2CC(CO)C2)cc1 1929733422 LDPYBBQRWHHPJC-UHFFFAOYSA-N 193.246 0.607 10 10 ACCE COC1([C@@H](O)C(=O)C(C)=O)CCC1 1931504246 VDCOJXCTGKBQNN-QMMMGPOBSA-N 186.207 0.075 10 10 ACCE CC(=O)C(=O)C(C)(C)CO 1951489226 CRBOFOFJZJWWBK-UHFFFAOYSA-N 144.170 0.163 10 10 ACCE COc1cccc(C(=O)C(C)=O)n1 1951931021 OHIUMOOUWNNFCJ-UHFFFAOYSA-N 179.175 0.862 10 10 ACCE O=C1Cc2ccc([N+](=O)[O-])cc2C1=O 34534493 VYKHPGWEFGDVRG-UHFFFAOYSA-N 191.142 0.903 10 10 ACCE C[C@H](O)[C@H](N=[N+]=[N-])C(=O)O 103619728 CJRVQJULIIGUDT-HRFVKAFMSA-N 145.118 0.131 10 10 ACCE CO[C@@H]1O[C@H](C)C[C@@H](O)[C@@H]1N=[N+]=[N-] 238349044 VSODDPUJYJPZAQ-MVIOUDGNSA-N 187.199 0.808 10 10 ACCE [N-]=[N+]=N[C@H]1CC=C[C@H]1O 238709202 RHGVQHREPHQKFR-CRCLSJGQSA-N 125.131 0.986 10 10 ACCE NCCCOc1ccc(O)c(O)c1O 1535829575 IFLUSVLWSLTNHV-UHFFFAOYSA-N 199.206 0.531 10 10 ACCE Cn1ncc2c1CCN[C@H]2CN=[N+]=[N-] 1912146281 ALSKGMOHUAHREY-ZETCQYMHSA-N 192.226 0.917 10 10 ACCE COc1cnc([C@H](CO)N=[N+]=[N-])cn1 1951417145 ZJARRZJBZDQMGL-LURJTMIESA-N 195.182 0.829 10 10 ACCE CN[C@@H](C(=O)O)c1c(O)cccc1F 1955544387 LPSDAWPEWKDIRP-MRVPVSSYSA-N 199.181 0.876 10 10 ACCE CN(C)[C@H](CN)c1ccccc1O 26443273 MJVLCASOJQEBLX-SECBINFHSA-N 180.251 0.954 10 10 ACCE [N-]=[N+]=NCCCNC(=O)[C@H]1CCOC1 42013172 UHSZBXVQPUGGQZ-ZETCQYMHSA-N 198.226 0.840 10 10 ACCE COC(=O)[C@H](N)c1ccc(C)cc1O 95639641 SMNPXQHUEWTQQG-SECBINFHSA-N 195.218 0.873 10 10 ACCE Nc1nnc(-c2cccc(O)c2O)[nH]1 163264134 VVSDZSQTSGLUEF-UHFFFAOYSA-N 192.178 0.465 10 10 ACCE C[C@@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)C(=O)O 238444440 HIZGJZZKKKIJHE-DWFIKQFRSA-N 196.202 0.645 10 10 ACCE OC[C@@H]1Cc2cccc(O)c2CN1 238686313 FSRNNAFXBZVIBU-QMMMGPOBSA-N 179.219 0.399 10 10 ACCE CCOC(=O)[C@@]1(N=[N+]=[N-])CCOC1=O 238797833 UFFRQKXQDNDFDQ-ZETCQYMHSA-N 199.166 0.546 10 10 ACCE O=C1CN[C@@H](c2ccccc2O)C1 258838792 JSWFUFMJKDLLSP-SECBINFHSA-N 177.203 0.996 10 10 ACCE N[C@H]1CC(=O)c2ccc(O)c(O)c21 713770784 CCXXTSROUZVQDP-YFKPBYRVSA-N 179.175 0.684 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CC12CCC2 1890333518 LLAZKBDHQSBLRK-VXNVDRBHSA-N 182.219 0.696 10 10 ACCE N#CN1CC[C@H](N=[N+]=[N-])C1 1912189058 TWDGTTRIBFEUEV-YFKPBYRVSA-N 137.146 0.852 10 10 ACCE CC(C)OCC(=O)N1CC(N=[N+]=[N-])C1 1912200108 BZPPJHPDXCRJHY-UHFFFAOYSA-N 198.226 0.933 10 10 ACCE [N-]=[N+]=NCCCS(=O)(=O)O 13547121 DBRIOBHILRGDPP-UHFFFAOYSA-N 165.174 0.575 10 10 ACCE CC(C)N(CCCN=[N+]=[N-])CC(N)=O 42438722 FOVISOWBNNMSKQ-UHFFFAOYSA-N 199.258 0.883 10 10 ACCE NC[C@H](N)c1ccc(C(=O)O)cc1O 72200464 PXLRIJJYTFNEAL-ZETCQYMHSA-N 196.206 0.049 10 10 ACCE COC[C@H](N)[C@@H](N)c1ccccc1O 95843834 KDRNUFICRFUNGX-WPRPVWTQSA-N 196.250 0.366 10 10 ACCE CN(C)C(=O)[C@](C)(CO)N=[N+]=[N-] 140175528 DITCVVALZXDICA-LURJTMIESA-N 172.188 0.136 10 10 ACCE COC(=O)[C@H]1NCC[C@H]1N=[N+]=[N-] 200180553 CKQONZKZNHVOAB-UHNVWZDZSA-N 170.172 0.200 10 10 ACCE C[C@@H](O)[C@H](CO)Nc1ccc(N)cc1 220301781 SUZDKSKRUDDDJA-XCBNKYQSSA-N 196.250 0.422 10 10 ACCE COCO[C@@H](CN=[N+]=[N-])C(=O)O 238347550 OKMKKWONCZVQMB-BYPYZUCNSA-N 175.144 0.370 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@@H](CC(=O)O)C1 238708295 LRJHJIAOJWTEPI-SRQIZXRXSA-N 185.183 0.911 10 10 ACCE CC[C@@H](N)[C@@H](N)c1cccc(O)c1O 306840470 ZTODDUCRXFYMIY-APPZFPTMSA-N 196.250 0.835 10 10 ACCE CC1(C)CN(CCN=[N+]=[N-])C[C@H]1O 307370507 OXQIGQVABWHARJ-SSDOTTSWSA-N 184.243 0.999 10 10 ACCE NCC[C@H](O)c1ccc(O)c(O)c1O 1535835177 HBJLXLQPVPHSOE-LURJTMIESA-N 199.206 0.186 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@]12CCC[C@@H]1C2 1883070169 LASKGKLPEBMZNR-JEZHCXPESA-N 182.219 0.696 10 10 ACCE CC[C@@H](N)[C@H](O)CN=[N+]=[N-] 1912150839 YYDYIKBUBNGGDE-RFZPGFLSSA-N 144.178 0.395 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)C2CSC2)C1 1912187011 DQJGQEWVBXCSDA-UHFFFAOYSA-N 198.251 0.871 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC=CCO1 1912187335 GURIANSQDYDTQI-ZETCQYMHSA-N 196.210 0.758 10 10 ACCE N[C@@H](c1ccccc1O)C1(O)CC1 1920607517 MYBOOOZWOZUUOO-VIFPVBQESA-N 179.219 0.917 10 10 ACCE OC[C@H](F)c1ccc(O)c(O)c1O 1952171391 PGMQQKNNFUGGFZ-YFKPBYRVSA-N 188.154 0.806 10 10 ACCE NC(=O)C(=S)Nc1ccc(N)cc1 33487781 DSGKZMQOCABGLM-UHFFFAOYSA-N 195.247 0.493 10 10 ACCE C[C@@H](N)[C@H]1CCCC(=O)C1=O 166486490 IDEYMJASVMDMLV-PHDIDXHHSA-N 155.197 0.272 10 10 ACCE CCOC(OCC)C(=O)N=N 238310372 MJBJYOMZXPJHSM-UHFFFAOYSA-N 160.173 0.943 10 10 ACCE COC(=O)C[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H]1O 238344119 SBKCCBMMEARFHM-VMHSAVOQSA-N 199.210 0.999 10 10 ACCE c1c[nH]c(/N=N/c2nnn[nH]2)n1 238539722 IBTUXFRGRIVBCL-BQYQJAHWSA-N 164.132 0.338 10 10 ACCE CNCc1cc(CN)ccc1O 258592668 UFLMHXQVNCWIEJ-UHFFFAOYSA-N 166.224 0.570 10 10 ACCE CC(C)(N)N=NC(C)(C)N 396749692 PSMAFHYZQLOGMG-UHFFFAOYSA-N 144.222 0.828 10 10 ACCE COC(=O)[C@@H](CN=[N+]=[N-])NC1CCC1 712392288 RFAZCWKBUOYAPW-SSDOTTSWSA-N 198.226 0.980 10 10 ACCE COC1CC2(CO[C@@H](CN=[N+]=[N-])N2)C1 1895847572 HQPYXIVBWXRSHP-WTIBDHCWSA-N 198.226 0.790 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1csc(C)n1 1929126422 IKPASSGQNKPYOB-QMMMGPOBSA-N 199.231 0.643 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@@H]2CCC[C@@H]21 1929241780 RLTRNIDTTACCLM-NRPADANISA-N 182.219 0.696 10 10 ACCE NCCCc1ccc(O)c(O)c1O 33861549 IILXZIYKWSWLLC-UHFFFAOYSA-N 183.207 0.695 10 10 ACCE CC(=O)N[C@H]1CCN(CCN=[N+]=[N-])C1 160350031 KTCBBETXCUTFMB-QMMMGPOBSA-N 197.242 0.507 10 10 ACCE COC(=O)/C=C\[C@@H](N=[N+]=[N-])[C@H](C)O 210855715 ZARXIHQYGFCSQL-MDQSYURESA-N 185.183 0.775 10 10 ACCE Cn1cc([C@@H](CO)N=[N+]=[N-])cn1 1535878811 YRQSCJYEWWSJTD-ZCFIWIBFSA-N 167.172 0.764 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@]1(C)CCCCN1 1890809706 CYIPBCOPRNDDIY-ZJUUUORDSA-N 199.250 0.038 10 10 ACCE [N-]=[N+]=NCC=CC(=O)O 1912176153 VMMDVOYUOOUXBV-UHFFFAOYSA-N 127.103 0.938 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(C)CC1 1929209912 ZDENFRSECZSKLE-ZETCQYMHSA-N 156.181 0.306 10 10 ACCE CC(=O)[C@@H](O)c1ccc(O)c(O)c1O 1951720786 AEWVVWVTJKNHDC-SSDOTTSWSA-N 198.174 0.426 10 10 ACCE CN(C)CCc1ccc(O)c(CN)c1 108303945 AULRQXBSXSJQQQ-UHFFFAOYSA-N 194.278 0.955 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2[C@H](O)CC[C@H]2C1 156571656 LJZQVTIVTCRTLZ-DJLDLDEBSA-N 196.254 0.999 10 10 ACCE C[C@@](N)(C(=O)O)c1cc(O)ccc1O 215986860 NFPMVLYCHLFHTL-VIFPVBQESA-N 197.190 0.356 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](O)C[C@H]1O 306217311 MEAISLHXWRBWRJ-KVQBGUIXSA-N 157.173 0.571 10 10 ACCE CC[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1O 399859651 LHCOWNJJVOTDKJ-SFYZADRCSA-N 184.243 0.999 10 10 ACCE Oc1ccccc1CN[C@@H]1CNOC1 703326642 YMPVZXGUYCKYRN-SECBINFHSA-N 194.234 0.385 10 10 ACCE C[C@@]1(c2cccc(O)c2O)CC(=O)N1 1951870748 WMMVNNKRIHMKIQ-JTQLQIEISA-N 193.202 0.833 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@@H]2N 1953752499 UTKSKUXCASJOQD-DSYKOEDSSA-N 167.216 0.328 10 10 ACCE COC(=O)[C@H](CN=[N+]=[N-])NCC1CC1 85622251 CGOMIQSOTLGZDL-ZETCQYMHSA-N 198.226 0.838 10 10 ACCE Cc1cc(O)c([C@@H](N)C(=O)O)s1 108299384 LMNCSWOCVQEQBZ-RXMQYKEDSA-N 187.220 0.847 10 10 ACCE C[C@@H]1CNN(c2ccc(N)cc2)C1=O 212119473 QPTWLPOMYQCFQH-SSDOTTSWSA-N 191.234 0.756 10 10 ACCE CCOC(=O)C[C@@H](N=[N+]=[N-])C(=O)O 238246277 BPXLDLRRTMXORQ-SCSAIBSYSA-N 187.155 0.703 10 10 ACCE C[C@@H]1C[C@@H](N=[N+]=[N-])NC(=S)N1 238429021 WQIRZDILQDECHG-QWWZWVQMSA-N 171.229 0.879 10 10 ACCE CNCNCc1ccc2c(c1)CCO2 258895544 NMNODBLFEIQQLA-UHFFFAOYSA-N 192.262 0.888 10 10 ACCE NC[C@H]1C[C@@H]1c1ccc(O)c(O)c1O 1535832140 FGZJZWASAXFZFE-VDTYLAMSSA-N 195.218 0.866 10 10 ACCE Cn1nncc1CN=[N+]=[N-] 1536205179 GDALYPCNOGRNNO-UHFFFAOYSA-N 138.134 0.625 10 10 ACCE COc1cccc([C@H](N)C(C)=O)c1O 1951968872 PFBNPIVDUHGSNG-SECBINFHSA-N 195.218 0.990 10 10 ACCE C[C@@H](CCN)N(C)CCN=[N+]=[N-] 1953751376 KGPJDWXNFXYQGV-ZETCQYMHSA-N 171.248 0.966 10 10 ACCE CN1CCN(CCN=[N+]=[N-])[C@H]2C[C@H]21 1953945765 IWRSZWYLWGOSSH-SFYZADRCSA-N 181.243 0.685 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]1[C@H]2N 1954208485 NUOCAECLGQRMJK-CSMHCCOUSA-N 181.243 0.718 10 10 ACCE N[C@H]1CC[C@H]1NCc1ccccc1O 1955671496 UQCMDWHKAAEPQG-VHSXEESVSA-N 192.262 0.972 10 10 ACCE C[C@H](N)[C@@H]1CN(CCN=[N+]=[N-])CCO1 1957244243 ODYCUXBSSQXDRM-YUMQZZPRSA-N 199.258 0.345 10 10 ACCE C[C@H](CO)C(=O)NCCN=[N+]=[N-] 2241250260 CSWLBSUYMKHBRJ-RXMQYKEDSA-N 172.188 0.041 10 10 ACCE C[C@@H](Nc1ccc(N)cc1)C(N)=O 35794043 SJTKLMFJJQEABD-ZCFIWIBFSA-N 179.223 0.555 10 10 ACCE Cc1cc(C=O)c(O)c([C@H](N)CO)c1 72197719 VWFANJAWVORTHU-SECBINFHSA-N 195.218 0.505 10 10 ACCE C[C@](N)(C(=O)O)c1cccc(N)c1O 104451061 YLASGKAKFAXQSZ-SECBINFHSA-N 196.206 0.233 10 10 ACCE NCc1c(O)cccc1-n1cnnc1 213462689 HWGSGPQIPWVVSR-UHFFFAOYSA-N 190.206 0.432 10 10 ACCE Nc1ccc(N2C[C@@H]3C[C@H](C2)N3)cc1 214573947 GDHNGBMBLGBLTO-AOOOYVTPSA-N 189.262 0.819 10 10 ACCE Cc1cccc(O)c1[C@@H](N)CO 238536133 IAWGZLAFAMURIF-ZETCQYMHSA-N 167.208 0.693 10 10 ACCE NC(=O)c1ccc(O)c2c1CC[C@H]2N 238629177 ARXVFHYMKSFSAJ-SSDOTTSWSA-N 192.218 0.437 10 10 ACCE N[C@@H](CO)c1c(F)ccc(O)c1O 258196629 YAKHSRGDLVQOFV-YFKPBYRVSA-N 187.170 0.229 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H]2CO[C@H](O2)[C@H]1O 306760522 WJROOMSFKKDVTG-BGPJRJDNSA-N 171.156 0.171 10 10 ACCE CO[C@@H]1CO[C@H](C(=O)O)[C@H]1N=[N+]=[N-] 307063700 PZFAHQIMKVREMP-WISUUJSJSA-N 187.155 0.164 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2O[C@@H]2[C@H]1O 307118942 YFJQYYCAZIMQBK-STGXQOJASA-N 141.130 0.197 10 10 ACCE [N-]=[N+]=NCCSCCC(N)=O 399161616 KSVOXTOSCDTKPL-UHFFFAOYSA-N 174.229 0.905 10 10 ACCE CC[C@@](N)(CO)c1ccccc1O 714092689 BWAIEKVAXJDXQK-SNVBAGLBSA-N 181.235 0.949 10 10 ACCE CC(C)(N)c1ccc(O)c(O)c1O 1535835681 OGWQJYNHGGUVFA-UHFFFAOYSA-N 183.207 0.997 10 10 ACCE C[C@H](O)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 1885668717 OQKLWSPGLKYGHW-BQBZGAKWSA-N 198.226 0.669 10 10 ACCE C[C@H](CC(=O)O)N1CC(N=[N+]=[N-])C1 1912143351 DZPXKMVYHDVXQF-RXMQYKEDSA-N 184.199 0.844 10 10 ACCE C[C@H]1CN(CCCN=[N+]=[N-])CCN1 1954206568 IVBUVCCMIWASIN-QMMMGPOBSA-N 183.259 0.981 10 10 ACCE N[C@@H](CO)c1ccc2[nH]ccc2c1O 72197682 NOWVWLQJRBWWBB-QMMMGPOBSA-N 192.218 0.866 10 10 ACCE Oc1ccccc1[C@@H]1NCC[C@H]1O 82397237 KJGUCQQZDQNWPW-ZJUUUORDSA-N 179.219 0.788 10 10 ACCE O=C1CNCc2c(O)cccc21 213463265 WEUJCBGGGAKVFP-UHFFFAOYSA-N 163.176 0.678 10 10 ACCE [N-]=[N+]=N[C@H]1CCNC1=O 215910113 OIXGTZAZFFIYHO-VKHMYHEASA-N 126.119 0.185 10 10 ACCE Nc1ccc(C[C@]2(O)CCNC2)cc1 257811239 BAGZPSMIEYLLDM-LLVKDONJSA-N 192.262 0.536 10 10 ACCE CC(=O)C(=O)Cn1cc(Cl)cn1 306511896 OERIDNIMHUDRGD-UHFFFAOYSA-N 186.598 0.695 10 10 ACCE CC[C@@H](Nc1ccc(N)cc1)C(N)=O 307322101 XSXGXBYNLMLAGK-SECBINFHSA-N 193.250 0.945 10 10 ACCE [N-]=[N+]=NC[C@H](N)CCCO 687809195 MCKHRLRTDJDCBH-RXMQYKEDSA-N 144.178 0.397 10 10 ACCE O=C(O)C[C@H](O)c1cccc(O)c1O 1535735023 FIOSZYDHGSFHLO-ZETCQYMHSA-N 198.174 0.606 10 10 ACCE C[C@@H](O)C(=O)N(C)c1ccc(N)cc1 1885677481 OMJBXXYVXGNDSS-SSDOTTSWSA-N 194.234 0.612 10 10 ACCE Cc1nonc1CN1CC(N=[N+]=[N-])C1 1912170526 XYTYEAYOXXXCJQ-UHFFFAOYSA-N 194.198 0.873 10 10 ACCE O=[N+]([O-])CCc1ccc(O)c(O)c1O 2519248 XESICSZOELMCNA-UHFFFAOYSA-N 199.162 0.623 10 10 ACCE NC[C@@H](O)c1cc(O)c(O)cc1F 3871196 SBUQBFTXTZSRMH-MRVPVSSYSA-N 187.170 0.229 10 10 ACCE in-vitro NC(=O)NCCc1ccc(N)cc1 40675730 GLTFGFJSANXLLE-UHFFFAOYSA-N 179.223 0.480 10 10 ACCE CCCN[C@H](CN=[N+]=[N-])C(=O)O 85622054 HHFMGDUVDTWUCK-RXMQYKEDSA-N 172.188 0.750 10 10 ACCE Cc1ccc([C@@](C)(N)CO)c(O)c1 95758652 HZBGWHJPFIVGIK-JTQLQIEISA-N 181.235 0.867 10 10 ACCE CCN(CCO)C1=CCC(=[N+]=[N-])C=C1 100008558 HRVASZFVRTZSFO-UHFFFAOYSA-N 193.250 0.815 10 10 ACCE COCc1ccc([C@@H](N)CO)c(O)c1 107365306 XNEVWIIGNJVLMS-VIFPVBQESA-N 197.234 0.531 10 10 ACCE CONC(=O)Nc1ccc(N)cc1 165687415 VKXMLUSMVXDHBG-UHFFFAOYSA-N 181.195 0.952 10 10 ACCE COc1c(C)ccc([C@H](N)CO)c1O 214020502 SGNUDTZADHODMI-MRVPVSSYSA-N 197.234 0.701 10 10 ACCE CCC[C@H](N=[N+]=[N-])[C@@H](O)C(=O)OC 238252574 OHXSWIONBWOELP-NTSWFWBYSA-N 187.199 0.999 10 10 ACCE CCOC(=O)[C@]1(N=[N+]=[N-])CCNC1=O 238287486 QMZXKEZBFFSDEQ-ZETCQYMHSA-N 198.182 0.119 10 10 ACCE CN1C[C@@H]2CN(CCN=[N+]=[N-])C[C@H]2C1 706242998 MKRGPSAYPCWOLB-RKDXNWHRSA-N 195.270 0.790 10 10 ACCE Oc1ccc([C@@H]2NCCO2)cc1O 953124162 STODLGBQYKDYGP-SECBINFHSA-N 181.191 0.716 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(Cc2ncon2)C1 1912179510 SPRFKVIFVZUQCZ-LURJTMIESA-N 194.198 0.954 10 10 ACCE O=C1CN[C@H](c2cccc(O)c2O)C1 1951962413 NRUIEJQISYYZFN-QMMMGPOBSA-N 193.202 0.701 10 10 ACCE COCC1(C(=O)NCCN=[N+]=[N-])CC1 1955203185 CXKWQJYLEDJOOD-UHFFFAOYSA-N 198.226 0.840 10 10 ACCE C[C@@]12CNC[C@@H]1CN(CCN=[N+]=[N-])C2 1957244269 ONNMQHOLPPASLV-BDAKNGLRSA-N 195.270 0.838 10 10 ACCE O=C1C(=O)[C@@H]2CC[C@H]1C2 17004721 DTKVZNFHNGLJBS-SYDPRGILSA-N 124.139 0.555 10 10 ACCE C[C@H](Nc1ccc(O)c(O)c1)C(=O)O 34402727 MBMKGIRTTXAGCM-YFKPBYRVSA-N 197.190 0.983 10 10 ACCE C[C@@H](O)CNCc1ccc(O)cc1O 35602068 YSZSANNBTKCWEH-SSDOTTSWSA-N 197.234 0.568 10 10 ACCE O=C1NCCN[C@H]1c1ccccc1O 82890707 ZMFZCNNTWUQBHY-VIFPVBQESA-N 192.218 0.153 10 10 ACCE CC[C@@H](O)[C@@H](N=[N+]=[N-])C(=O)OC 215798219 RXYWQKFWBAQJDL-RFZPGFLSSA-N 173.172 0.609 10 10 ACCE CC1(C)C(=O)C(=O)C[C@H]1C(=O)O 238230904 PWOGUQCNZXBARA-BYPYZUCNSA-N 170.164 0.255 10 10 ACCE CCOC(=O)C(CC)=[N+]=N 725399232 ALVRHFBCEILQLQ-UHFFFAOYSA-N 143.166 0.640 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H]1CC2CC1C2 1890496552 KNDJCZAUXDIYBV-UKRMECCQSA-N 182.219 0.552 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCO[C@H](C)C1 1929180430 RVFRCKASDIWGBX-MUWHJKNJSA-N 186.207 0.075 10 10 ACCE Cn1ncnc1CCN=[N+]=[N-] 1951474390 ABZGMOSUEYFSKC-UHFFFAOYSA-N 152.161 0.668 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CNC[C@H]2C1 1954206864 MYEFQTJNLPKHKU-YUMQZZPRSA-N 181.243 0.448 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCC[C@@]1(C)CN 2241890354 HEEDEWGLAKSPSB-UWVGGRQHSA-N 199.250 0.025 10 10 ACCE CCOC(=O)/N=N\C(C)=C/C(N)=O 39125876 WFNZNHRBVKJJNP-ACHWKMRWSA-N 185.183 0.984 10 10 ACCE C[C@@H](c1ccc(O)c(O)c1)[C@H](O)CN 107433160 VMUSUQOOCYSQKY-QUBYGPBYSA-N 197.234 0.521 10 10 ACCE NCc1cc2c(cc1O)COC2 108285462 NZLFUVLVUFXKJP-UHFFFAOYSA-N 165.192 0.881 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)[C@@H](CO)O1 238661414 XCYCGBQEJRENPW-PBXRRBTRSA-N 173.172 0.155 10 10 ACCE CNC[C@@H](N)c1ccccc1O 258160414 NMJVZTKSPQYQPL-MRVPVSSYSA-N 166.224 0.611 10 10 ACCE C[C@@H]1CN[C@H](CN=[N+]=[N-])O1 885230774 GFSUVYCPKPCSCO-UHNVWZDZSA-N 142.162 0.631 10 10 ACCE Oc1ccc([C@@H](O)CF)c(O)c1O 1535832208 GVBBLJXJQJUTPS-LURJTMIESA-N 188.154 0.806 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C1CSC1 1929248290 DNUMQMGDNIMFBN-MRVPVSSYSA-N 188.248 0.259 10 10 ACCE Oc1cc(C[C@@H]2CCCN2)cc(O)n1 1952600472 GEMLXROEJBEMKH-QMMMGPOBSA-N 194.234 0.787 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H](N)C1 1953340233 ABVHQFCEQXONSJ-LURJTMIESA-N 155.205 0.330 10 10 ACCE [N-]=[N+]=NCCN1CCO[C@H]2C[C@@H]21 1953696973 YIORWFDDQWYPNE-BQBZGAKWSA-N 168.200 0.770 10 10 ACCE N[C@H](CF)Cc1ccc(O)c(O)c1 13533869 OCEMSLYPXQVZEF-ZETCQYMHSA-N 185.198 0.937 10 10 ACCE Nc1ccc(Cc2ncn[nH]2)cc1 42041003 GWRSPPNKJRTVKM-UHFFFAOYSA-N 174.207 0.978 10 10 ACCE OC[C@@H]1NCCc2ccc(O)c(O)c21 83724297 KBHIRQGZKZPJPY-ZETCQYMHSA-N 195.218 0.277 10 10 ACCE Nc1ccc(N2CC[C@@H]2C(=O)O)cc1 167910464 JVPGAWZYENQRCV-SECBINFHSA-N 192.218 0.932 10 10 ACCE CO[C@@H]1COc2cccc(O)c2[C@@H]1N 238366340 KAKZXGITILKCEM-PSASIEDQSA-N 195.218 0.799 10 10 ACCE NC1(c2cc(CO)ccc2O)CC1 238560120 MILNYOOXXRZMRI-UHFFFAOYSA-N 179.219 0.832 10 10 ACCE N[C@H](CCO)c1cc(O)cs1 238673151 ZOHDRLDTIHIQMV-ZCFIWIBFSA-N 173.237 0.836 10 10 ACCE [N-]=[N+]=N[C@H](CO)[C@H]1C=CCO1 238701335 ZLKOQUDCWARXPU-PHDIDXHHSA-N 155.157 0.613 10 10 ACCE C[C@@H]1CO[C@@H](C(=O)NCCN=[N+]=[N-])C1 718440136 CPYAIWZEAHFRNO-NKWVEPMBSA-N 198.226 0.838 10 10 ACCE CON(CCN)CCN=[N+]=[N-] 1953342165 YFRLUXYCEVWENN-UHFFFAOYSA-N 159.193 0.119 10 10 ACCE Nc1ccc(CN[C@H]2C[C@@H]2CO)cc1 1955076913 BIIRVMPDJGVPOO-KOLCDFICSA-N 192.262 0.739 10 10 ACCE CNCc1cc(N)ccc1O 11920623 KWOBZXUYRTVEPG-UHFFFAOYSA-N 152.197 0.694 10 10 ACCE C[C@@H](O)[C@@H](N)c1cc(N)ccc1O 104673596 QFWMDMYDTSBKHC-MLUIRONXSA-N 182.223 0.355 10 10 ACCE CC/N=N/[C@@H](C)O 163878100 NTAMZSXOQLEZSM-QAWSSWINSA-N 102.137 0.797 10 10 ACCE O=C(O)[C@H]1CNCc2c(O)cccc21 213489216 AKIJKDFFSSJEKP-QMMMGPOBSA-N 193.202 0.664 10 10 ACCE COCNC(=O)Nc1ccc(N)cc1 217310200 DLSBLXFJEFZYHD-UHFFFAOYSA-N 195.222 0.994 10 10 ACCE CO[C@H]1O[C@@H](CN=[N+]=[N-])C[C@@H]1O 238378400 SGKDNZHDYPIAMA-SRQIZXRXSA-N 173.172 0.419 10 10 ACCE CC(=O)C(=O)[C@H]1CCCN(C)C1 259112408 IDCIKWXYWDOTOF-QMMMGPOBSA-N 169.224 0.486 10 10 ACCE CN(C)N=Nc1ccc[n+]([O-])c1 263596320 FNEDMBHCKAZOTR-UHFFFAOYSA-N 166.184 0.880 10 10 ACCE CC1=NNC(=O)/C1=C\c1ccc[nH]1 307991746 QAZSRYSRSPUWAZ-YVMONPNESA-N 175.191 0.904 10 10 ACCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@H](CCO)O1 308086676 XELYDPKPUXFSAF-ACZMJKKPSA-N 187.199 0.809 10 10 ACCE CC(=O)C(N=Nc1nnc[nH]1)C(C)=O 308274578 KDRLEQRPICGYGZ-UHFFFAOYSA-N 195.182 0.435 10 10 ACCE CO[C@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 709679229 UXQXAOSJROMROZ-WDSKDSINSA-N 184.199 0.448 10 10 ACCE Nc1ccccc1NC1[C@@H]2CNC[C@@H]12 1888904709 FAELBZFJMUWWDG-HTQZYQBOSA-N 189.262 0.899 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(C(=O)C2(O)CC2)C1 1888952461 ANVYOEJAWZSNCP-LURJTMIESA-N 196.210 0.423 10 10 ACCE CC(C)(N)[C@@H](O)c1cccc(O)c1O 1951384802 WSUUTZQMAQLJBB-VIFPVBQESA-N 197.234 0.869 10 10 ACCE [N-]=[N+]=NCCn1nc(O)ccc1=O 42416089 NMHOVGMCMKNIMW-UHFFFAOYSA-N 181.155 0.259 10 10 ACCE NCc1cc(CCC(=O)O)ccc1O 84250417 WYSZZWPOLIRVKL-UHFFFAOYSA-N 195.218 0.868 10 10 ACCE [N-]=[N+]=NC[C@H](NC1CCCC1)C(N)=O 85621960 AOPHFBNTQCQUSZ-ZETCQYMHSA-N 197.242 0.683 10 10 ACCE O=C1Cc2scc(O)c2C(=O)N1 106175030 DBGWLCSOPWQUBP-UHFFFAOYSA-N 183.188 0.266 10 10 ACCE CC1(C)[C@H]2C=C[C@H]1C(=O)C2=O 111346112 NDKGTMNEPYJOMV-WDSKDSINSA-N 150.177 0.967 10 10 ACCE CCO[C@H]1C=C[C@@](CO)(OCC)O1 216213054 FNXDFFCIYHZJCR-RKDXNWHRSA-N 188.223 0.661 10 10 ACCE CO[C@@H](CN=[N+]=[N-])c1cnn[nH]1 238380970 QVMOWQGNCAQTCT-YFKPBYRVSA-N 168.160 0.803 10 10 ACCE O=C1C(=O)[C@H]2[C@H]3[C@H]4[C@H]1[C@@H]1[C@H]4[C@H]3[C@@H]21 306550253 VKMYNRCHXYJHFV-ZXRVBMDZSA-N 160.172 0.122 10 10 ACCE CON(c1ccc(N)cc1)C1CNC1 1888923583 SYPHWFVOCUSEPZ-UHFFFAOYSA-N 193.250 0.608 10 10 ACCE [N-]=[N+]=N[C@@H]1CNCCOC1 1934290795 AECLBYPLQKDRJH-RXMQYKEDSA-N 142.162 0.285 10 10 ACCE Oc1cccc(O)c1[C@H]1C[C@H](O)CN1 1952079504 NIWBDFMKFOIHIA-NKWVEPMBSA-N 195.218 0.493 10 10 ACCE CCOC(=O)c1ccc(O)c(O)c1N 2055135779 DHKCIOLDHKZCPU-UHFFFAOYSA-N 197.190 0.857 10 10 ACCE Oc1ccccc1CNc1nn[nH]n1 6227054 BUKCGKDZLAXATA-UHFFFAOYSA-N 191.194 0.517 10 10 ACCE CNC(=O)c1cccc(CN)c1O 95723869 VCZYSOMRESQRDX-UHFFFAOYSA-N 180.207 0.211 10 10 ACCE CC(C)N1C[C@H](N=[N+]=[N-])[C@H](O)C1 223371050 QKZWBBQSUDNFEE-NKWVEPMBSA-N 170.216 0.750 10 10 ACCE C[C@@]1(CO)O[C@@]1(C)CN=[N+]=[N-] 238494915 SNWZIORLUFZSPD-WDSKDSINSA-N 157.173 0.837 10 10 ACCE OCc1cccc(O)c1[C@@H]1CCN1 238727188 NCIASEOHUSZYLM-QMMMGPOBSA-N 179.219 0.919 10 10 ACCE Cc1cc(O)c(CNO)cc1O 258035030 PMXBBCMLWGSPDF-UHFFFAOYSA-N 169.180 0.885 10 10 ACCE O=C1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]12 306400214 AKTZORUBVPABRF-FBXFSONDSA-N 136.150 0.410 10 10 ACCE C[C@]1(CN=[N+]=[N-])CNCCOC1 1881479395 AASASCWZASSZNS-SSDOTTSWSA-N 170.216 0.923 10 10 ACCE CO[C@H]1CN(CCCN=[N+]=[N-])C[C@@H]1N 1885249964 ZIWHDJMUUDPVJT-YUMQZZPRSA-N 199.258 0.345 10 10 ACCE OCCONCc1ccc(O)c(O)c1 1888294471 UNPWKUYOZQWQEZ-UHFFFAOYSA-N 199.206 0.111 10 10 ACCE C[C@@H]1CNC[C@@H](C)N1CCN=[N+]=[N-] 1954207618 YUAKORZZZOOLRP-HTQZYQBOSA-N 183.259 0.979 10 10 ACCE CC(=O)C(=O)c1ccc[nH]1 39068803 IUDRSCTVPATTDQ-UHFFFAOYSA-N 137.138 0.786 10 10 ACCE Nc1ccc(Cn2cnnc2)cc1 54405072 RZPFRJZGBBRORJ-UHFFFAOYSA-N 174.207 0.909 10 10 ACCE CCC[C@@H](NCCN=[N+]=[N-])C(N)=O 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0.422 10 10 ACCE Cc1cc(N)c(O)c([C@@H](N)[C@@H](C)O)c1 238452938 SFUWGQNYCHFRPV-MUWHJKNJSA-N 196.250 0.663 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@H](O)[C@H]1O 306245402 BYJLFVCKKHKGQZ-SRQIZXRXSA-N 157.173 0.571 10 10 ACCE Oc1cccc(F)c1Nc1nn[nH]n1 606268666 WIOOBTUSLUGBRF-UHFFFAOYSA-N 195.157 0.788 10 10 ACCE [N-]=[N+]=NCCN1CC(C2CNC2)C1 1883484886 DSURSYIZFFEOPB-UHFFFAOYSA-N 181.243 0.448 10 10 ACCE CCN(CCN=[N+]=[N-])C(=O)CO 1887717127 GWGYMGWAIOYWBU-UHFFFAOYSA-N 172.188 0.138 10 10 ACCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CCO 1890637298 PETFRAMHHQWFLK-ZETCQYMHSA-N 198.226 0.670 10 10 ACCE CC(=O)C(=O)c1cnccn1 1951891786 OXLPQJVFIZECKW-UHFFFAOYSA-N 150.137 0.248 10 10 ACCE [N-]=[N+]=NCCCn1cncn1 42416076 WRQWLFGSGWQEJQ-UHFFFAOYSA-N 152.161 0.979 10 10 ACCE NCCc1cc2n(c(=O)c1)CCCC2 83278359 IMSKGZJZYUTEIT-UHFFFAOYSA-N 192.262 0.686 10 10 ACCE C[S@](=O)N=[N+]=[N-] 144070037 FTECGLKYOGUATG-ZCFIWIBFSA-N 105.122 0.590 10 10 ACCE O=C1OCc2c1ccc(O)c2O 206379627 FPWCSPCJMAFVTA-UHFFFAOYSA-N 166.132 0.768 10 10 ACCE NCc1c(O)cccc1-n1ccnn1 213462440 GLTJJFUMKSBBCD-UHFFFAOYSA-N 190.206 0.432 10 10 ACCE COC(=O)[C@@](C)(N=[N+]=[N-])C(C)=O 238384295 KKTPAZYCJNHBLC-LURJTMIESA-N 171.156 0.817 10 10 ACCE Nc1ccc([C@H](N)CC(=O)O)c(O)c1 238626223 OUCBRSWHALABPA-SSDOTTSWSA-N 196.206 0.449 10 10 ACCE [N-]=[N+]=N[C@@H](CO)[C@@H]1C=CCO1 238704739 ZLKOQUDCWARXPU-WDSKDSINSA-N 155.157 0.613 10 10 ACCE O=C1CCc2c(ccc(O)c2O)N1 257870850 FEFDFKPRJRWKNQ-UHFFFAOYSA-N 179.175 0.983 10 10 ACCE C[C@]1(N)CCN(CCN=[N+]=[N-])C1 1893451198 IBHINSQFLYNNCN-ZETCQYMHSA-N 169.232 0.720 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H](C)C1CC1 1930105071 NPFRXGLSKRAKMV-XRGYYRRGSA-N 170.208 0.552 10 10 ACCE O=C1CC[C@@H](C(=O)C2CC2)C1=O 1932573909 RHWUFBNLKDCAAQ-LURJTMIESA-N 166.176 0.514 10 10 ACCE Oc1cc(F)ccc1[C@@H]1C[C@H](O)CN1 1952071323 OJIVCPJSOOYXAF-CBAPKCEASA-N 197.209 0.927 10 10 ACCE [N-]=[N+]=NCCN1CCCC12CNC2 1954208910 VLEIQTAWEUGDMB-UHFFFAOYSA-N 181.243 0.735 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1C[C@@H](O)C1 2208979354 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[N-]=[N+]=NCCc1nc[nH]n1 1535839276 KSFMLXHRUXLFDS-UHFFFAOYSA-N 138.134 0.658 10 10 ACCE C[C@H](CN)CN=[N+]=[N-] 1888140069 IMJSZFVFRZCTCX-SCSAIBSYSA-N 114.152 0.892 10 10 ACCE CC(=O)C(=O)[C@@H](O)C(C1CC1)C1CC1 1930103574 YQFQHLWRMULQRC-NSHDSACASA-N 196.246 0.942 10 10 ACCE N[C@@H](CO)c1c(O)cc(F)cc1F 72197641 ZYPUUBUOQYABNY-LURJTMIESA-N 189.161 0.663 10 10 ACCE O=C1CC(=O)N2C=CC=CN12 100290028 UXKCGWZRLUQWFY-UHFFFAOYSA-N 150.137 0.003 10 10 ACCE CO[C@@H]1O[C@@H](C)[C@@H](N=[N+]=[N-])[C@@H]2O[C@@H]21 145053333 XSVNMWYRHAWARU-MLKOFDEISA-N 185.183 0.824 10 10 ACCE CC(=O)C(=O)C(=O)C(C)(C)C 222637961 WLKXQAJVHYZZHI-UHFFFAOYSA-N 156.181 0.760 10 10 ACCE CC[C@@H](N=[N+]=[N-])[C@H](O)CCO 238293477 FNVTWKSQNFAOQI-PHDIDXHHSA-N 159.189 0.819 10 10 ACCE CN[C@@H](CO)c1cc(N)ccc1O 238364000 ZHUGUTUSCLHBRA-QMMMGPOBSA-N 182.223 0.227 10 10 ACCE [N-]=[N+]=NC1CCN(C(=O)C(=O)O)CC1 958692415 ZXRFMEJAIWDSLA-UHFFFAOYSA-N 198.182 0.372 10 10 ACCE [N-]=[N+]=NC[C@@H]1C=CCN1 1879990638 FWGYZRZSVGCULV-YFKPBYRVSA-N 124.147 0.825 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C2(O)CC2)C1 1888952462 ANVYOEJAWZSNCP-ZCFIWIBFSA-N 196.210 0.423 10 10 ACCE COC[C@@H](N)COc1ccc(N)cc1 1896269868 YBIQTOCTOAHLNM-SECBINFHSA-N 196.250 0.621 10 10 ACCE CC[C@@H](C)C[C@@H](O)C(=O)C(C)=O 1929199660 PKAULDDJLSQYSL-HTRCEHHLSA-N 172.224 0.942 10 10 ACCE CC(C)(ON)c1cc(O)c(O)c(O)c1 1951471533 JOAGBGKQENGRTG-UHFFFAOYSA-N 199.206 0.929 10 10 ACCE C[C@@](CN)(CO)c1cccc(O)c1O 1951861777 UNVNKYKWYRMIMN-SNVBAGLBSA-N 197.234 0.307 10 10 ACCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1C(=O)NC2 1956944173 HOPBNWJXSFPVDI-BQBZGAKWSA-N 195.226 0.260 10 10 ACCE NCCNCc1ccc(O)cc1O 37712338 AJAIRMSCVYWRQR-UHFFFAOYSA-N 182.223 0.146 10 10 ACCE COC(=O)[C@H](NCCN=[N+]=[N-])C1CC1 85224001 UFBFTTMMLSRROA-SSDOTTSWSA-N 198.226 0.838 10 10 ACCE [N-]=[N+]=NC(F)(F)CO 140209484 MDUYVHMZBBTUMK-UHFFFAOYSA-N 123.062 0.882 10 10 ACCE CC(C)NC(=O)c1cc(O)nc(O)c1 170223044 AKZGSHNNSJSLAR-UHFFFAOYSA-N 196.206 0.631 10 10 ACCE COCO[C@@H](CN=[N+]=[N-])C(=O)OC 213082493 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[N-]=[N+]=NCC(=O)CCC(=O)O 138425474 FQRGWJFGNAWQMA-UHFFFAOYSA-N 157.129 0.731 10 10 ACCE [N-]=[N+]=N[C@H]1CCCS1(=O)=O 196439834 OGNPYYBTUSGAPB-SCSAIBSYSA-N 161.186 0.831 10 10 ACCE CCOC(=O)C(=S)C(C)=O 238293126 XNHWPHXPHSBYMY-UHFFFAOYSA-N 160.194 0.508 10 10 ACCE [N-]=[N+]=N[C@H]1CC[C@@H]2CC(=O)N[C@H]12 238647388 PYEKCPKODYJSNC-ZDLURKLDSA-N 166.184 0.964 10 10 ACCE O=CN=N[C@@H]1N=CC=CN1O 255004019 JYMSZKDFKIDYLH-YFKPBYRVSA-N 154.129 0.168 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])C[C@H](O)[C@@H]1O 307396596 PDHUDORGZMLMBS-DPYQTVNSSA-N 198.186 0.860 10 10 ACCE C[C@H]1[C@@H](O)CN1Cc1ccc(N)cc1 1885908993 UQTBZFNIQSULTE-KWQFWETISA-N 192.262 0.834 10 10 ACCE CCn1ccc2c(c1=O)CNCC2 1930895469 ZFEYMVXMSCQHNC-UHFFFAOYSA-N 178.235 0.514 10 10 ACCE C[C@@H](c1ccc(O)c(O)c1)[C@@H](O)CN 107433165 VMUSUQOOCYSQKY-WKEGUHRASA-N 197.234 0.521 10 10 ACCE O=C(O)CCC(=O)C(=O)c1ccc[nH]1 197259108 BLGNACSHWLLXAU-UHFFFAOYSA-N 195.174 0.631 10 10 ACCE [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1C(F)(F)F 200515449 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CC(C)(N=[N+]=[N-])[C@H]1O[C@H]1CO 238161534 FWDYIJFOYDVMPW-WHFBIAKZSA-N 157.173 0.835 10 10 ACCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CN 238602353 QLXVHGVXCLNTDL-LURJTMIESA-N 183.215 0.246 10 10 ACCE Cn1cc2c(c(Cl)c1=O)CCNC2 257811776 ACZYEOPTMQXVRZ-UHFFFAOYSA-N 198.653 0.684 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2COC[C@H]21 1881020730 GYDAQIFGBCUTSL-RNFRBKRXSA-N 168.200 0.627 10 10 ACCE [N-]=[N+]=NC[C@H]1NC[C@@H](CF)O1 1912153582 HQUNGJJLDKGQEC-UHNVWZDZSA-N 160.152 0.581 10 10 ACCE CO[C@@H](C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912175823 QRSOGXAARHOUTR-BQBZGAKWSA-N 198.226 0.933 10 10 ACCE NC[C@H]1CCN1Cc1ccccc1O 1928892332 LOSXWYBADYVKMR-SNVBAGLBSA-N 192.262 0.925 10 10 ACCE O=C1CC[C@H](c2cc(O)nc(O)c2)N1 1952462984 JWBIBGGVDDMXEY-ZCFIWIBFSA-N 194.190 0.444 10 10 ACCE CC(=O)N(C)CCN(C)CCN=[N+]=[N-] 1955529035 RFKBBMCQVDQTNS-UHFFFAOYSA-N 199.258 0.707 10 10 ACCE NC[C@H](N)c1cc([N+](=O)[O-])ccc1O 72200512 CMJKEDPPKOGYSV-ZETCQYMHSA-N 197.194 0.259 10 10 ACCE Cc1c(F)ccc(O)c1[C@@H](N)CO 104487934 NNUSNPLCCBNBPA-ZETCQYMHSA-N 185.198 0.832 10 10 ACCE O=C1c2cc[nH]c2C(=O)c2nccnc21 230526255 HJTRVENAXRIDOW-UHFFFAOYSA-N 199.169 0.580 10 10 ACCE CN(C)Cc1ccc(O)c(O)c1O 238331839 VIBRXFYWNYLCJS-UHFFFAOYSA-N 183.207 0.865 10 10 ACCE C[C@]1(O)C[C@@H](O)[C@@H](N=[N+]=[N-])CO1 238492426 PNCLRTVOUCWXDS-KVQBGUIXSA-N 173.172 0.155 10 10 ACCE Oc1cccc([C@]2(O)CCNC2)c1O 238684723 VJRFOCQIDPNNLY-JTQLQIEISA-N 195.218 0.279 10 10 ACCE CC1(C)OC[C@@H](N=[N+]=[N-])[C@H]1O 1880445915 BYPYFCBLFRDMPE-RFZPGFLSSA-N 157.173 0.835 10 10 ACCE [N-]=[N+]=NC1CN([C@@H]2CC[C@@H]2O)C1 1912145931 NCNKQGHDGUZGQO-RQJHMYQMSA-N 168.200 0.504 10 10 ACCE [N-]=[N+]=NCCN1CCC1=O 1912170334 VWEWRHIBAPSGFO-UHFFFAOYSA-N 140.146 0.529 10 10 ACCE CO[C@H](CCN)c1cc(O)nc(O)c1 1952137015 YCNYJVCFBQOJJI-SSDOTTSWSA-N 198.222 0.529 10 10 ACCE N[C@H]1C[C@@H]1Cc1ccc(O)c(O)c1O 1952570449 CUTMCZKNIYMNCP-BQBZGAKWSA-N 195.218 0.693 10 10 ACCE [N-]=[N+]=NCCN1CCCC2(CNC2)C1 1957242485 ASMBBZFBPUNNMC-UHFFFAOYSA-N 195.270 0.982 10 10 ACCE CC1CC(COc2nnc(=N)[nH]n2)C1 2209556846 ZBEFCCUYJLSDDN-UHFFFAOYSA-N 195.226 0.104 10 10 ACCE COC[C@@H](O)COc1ccc(N)cc1 34480651 JTDZDTSENAOTDL-SECBINFHSA-N 197.234 0.655 10 10 ACCE CN(C)C(=O)CNc1ccc(N)cc1 37225454 SVZICTHOMXGXBE-UHFFFAOYSA-N 193.250 0.769 10 10 ACCE Cc1ccc(C(=O)[C@H](C)N)c(O)c1O 213831121 ALHSPZNRTUVEPX-LURJTMIESA-N 195.218 0.936 10 10 ACCE CC(=O)[C@H](N)c1c(O)cccc1CO 238196593 WQSJSWQZCKHADM-JTQLQIEISA-N 195.218 0.473 10 10 ACCE C[C@]1(CO)O[C@]1(C)CN=[N+]=[N-] 238480956 SNWZIORLUFZSPD-PHDIDXHHSA-N 157.173 0.837 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2CC(=O)O[C@H]2[C@H]1O 306200169 UITPYLSMJQNOFN-ZCBVHYEASA-N 183.167 0.362 10 10 ACCE [N-]=[N+]=NC[C@]1(O)C=C[C@H]2CO[C@H]1O2 306446617 BNOICXKBSVJUSJ-LYFYHCNISA-N 183.167 0.339 10 10 ACCE CC[C@@H](O)[C@H](N)c1ccc(O)cc1O 306517943 CRVGAJHAKZHICW-PSASIEDQSA-N 197.234 0.869 10 10 ACCE COc1ccc([C@H](N)CCN)c(O)c1 396448070 GJSDPMDWRAKQKP-SECBINFHSA-N 196.250 0.749 10 10 ACCE N[C@H]1C[C@@H]1c1cccc(O)c1O 1535736738 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[N-]=[N+]=NC[C@@H](O)C[C@@H](F)C(=O)O 238707263 JULYQMJRCISPDE-IUYQGCFVSA-N 177.135 0.470 10 10 ACCE CN1C(=O)CN[C@H]1c1ccccc1O 306312532 KYFZDFHDJCZNMI-SNVBAGLBSA-N 192.218 0.452 10 10 ACCE CC(C)CC(=O)C=[N+]=N 725441792 OJZWNWAXCYFIRG-UHFFFAOYSA-N 127.167 0.912 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@H]1C 1877636288 JHNORGSWWXFNAA-UEYSZJFGSA-N 156.181 0.161 10 10 ACCE COc1cccc(O)c1CNCCN 1955554003 OUZWKDXJNUIUEU-UHFFFAOYSA-N 196.250 0.449 10 10 ACCE OCCCNCc1ccc(O)c(O)c1 20187835 ZYUTWYCCGACJBR-UHFFFAOYSA-N 197.234 0.570 10 10 ACCE Nc1ccc(-n2nnnc2Cl)cc1 59693731 AOPGMKUKFGCATF-UHFFFAOYSA-N 195.613 0.898 10 10 ACCE [N-]=[N+]=NCCCN1CCOCC1=O 86433368 GGWPGIVLTOVVPB-UHFFFAOYSA-N 184.199 0.546 10 10 ACCE [N-]=[N+]=N[C@H]1COCCC1=O 197878807 URAXNGXRPZMDSW-BYPYZUCNSA-N 141.130 0.655 10 10 ACCE C/C(CN=[N+]=[N-])=C1\CNC1=O 306200747 VKFLBOFMMJMYHL-PLNGDYQASA-N 152.157 0.743 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]2[C@@H]1CO 1896394606 DGOXPEAZAIKOLK-YIZRAAEISA-N 196.254 0.999 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2[C@@H](O)C[C@H]2C1 1912161320 ICEOUECRNGBAMH-YIZRAAEISA-N 196.254 0.999 10 10 ACCE [N-]=[N+]=NC[C@H]1CCNC(=O)C1 1951359426 NFHQNTCQSGMXKE-YFKPBYRVSA-N 154.173 0.823 10 10 ACCE [N-]=[N+]=NCCN1CCO[C@@H]2C[C@H]21 1953696975 YIORWFDDQWYPNE-RNFRBKRXSA-N 168.200 0.770 10 10 ACCE C[C@H](N)Cc1ccc(O)c(O)c1O 33861550 QJCIMIKEJDFSCS-YFKPBYRVSA-N 183.207 0.693 10 10 ACCE CC(C)(C)N1N=CC(=O)C1=O 34538562 FNSJJVGUXSFZCC-UHFFFAOYSA-N 154.169 0.182 10 10 ACCE Nc1ccc(N2C[C@H](N)CC2=O)cc1 62716707 CSJGKJIBBRWERF-MRVPVSSYSA-N 191.234 0.333 10 10 ACCE C[C@H](O)[C@H](N)c1c(O)cccc1O 238486479 KTSAMCQRBZBUOZ-CDUCUWFYSA-N 183.207 0.478 10 10 ACCE C[C@]1(O)COC=C[C@H]1N=[N+]=[N-] 238491914 RNRDLDAEOVRHJL-RITPCOANSA-N 155.157 0.960 10 10 ACCE NC(=O)CC(=O)Nc1ccc(N)cc1 238637046 MHPHMRSSQLINTD-UHFFFAOYSA-N 193.206 0.083 10 10 ACCE [N-]=[N+]=NC[C@H](O)CCN 403600006 DBVDSAAWIAGUAI-SCSAIBSYSA-N 130.151 0.006 10 10 ACCE CC(C)[C@@H](N)[C@H](O)CN=[N+]=[N-] 1912153845 JPZXTXDWVVJRRG-PHDIDXHHSA-N 158.205 0.641 10 10 ACCE [N-]=[N+]=NCc1nc(O)nc(O)n1 1952644362 HBPCLBCVQNXACU-UHFFFAOYSA-N 168.116 0.093 10 10 ACCE [N-]=[N+]=NCCN1C(=O)[C@@H]2CC[C@H]2C1=O 2241508711 WVUYJYKOYDFZLW-PHDIDXHHSA-N 194.194 0.692 10 10 ACCE Oc1ccc(C2OCCO2)c(O)c1O 33861504 HZFPGAIYXOPJRX-UHFFFAOYSA-N 198.174 0.849 10 10 ACCE C[C@H](O)[C@@H](N)c1cc(O)c(O)c(O)c1 95669358 DTGAVZJEABRTHI-RNHFCUEFSA-N 199.206 0.184 10 10 ACCE CCN1C(=O)C[C@@H](N=[N+]=[N-])C1=O 135821492 CBSXWPUCMJCZBX-SCSAIBSYSA-N 168.156 0.444 10 10 ACCE CN(C)CCc1cc(O)c(O)cc1N 169344018 CLAZTGPFTGGMMF-UHFFFAOYSA-N 196.250 0.784 10 10 ACCE CN[C@@H](CO)c1ccc(F)cc1O 211761067 WJNUJZBUIIECBH-QMMMGPOBSA-N 185.198 0.784 10 10 ACCE Nc1ccc(N2CCNC2=S)cc1 212134768 GSDBAPUGMWHYNF-UHFFFAOYSA-N 193.275 0.963 10 10 ACCE CC(CN=[N+]=[N-])([N+](=O)[O-])[N+](=O)[O-] 214860970 FNXHPZIFOFUXQO-UHFFFAOYSA-N 175.104 0.566 10 10 ACCE [N-]=[N+]=NCc1ncc(CO)o1 222279974 UAVHEUSAXCGHIP-UHFFFAOYSA-N 154.129 0.977 10 10 ACCE N[C@H]1CO[C@@H](c2cccc(O)c2O)C1 1952218954 KYMSDCRTSFJMTG-HZGVNTEJSA-N 195.218 0.887 10 10 ACCE CO[C@@H]1[C@H](OC)C[C@@H](O)[C@H]1N=[N+]=[N-] 1954090078 VYLPQVJPDNUDFL-DBRKOABJSA-N 187.199 0.460 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@H]2CNC[C@@H]21 1957248583 DCAMLVMQNUMFDA-IUCAKERBSA-N 195.270 0.981 10 10 ACCE N=c1nnc(OCCC2CCC2)n[nH]1 2209559833 IDRGXIBKBDBWLU-UHFFFAOYSA-N 195.226 0.248 10 10 ACCE C[C@H](CO)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2241252615 TYKLWDCSNFEKKY-RQJHMYQMSA-N 198.226 0.526 10 10 ACCE CC(=O)C(=O)C1(O)C[C@H]2C=C[C@@H](C2)C1 2241696119 DPKHMNIXSYJKMM-IUCAKERBSA-N 194.230 0.862 10 10 ACCE NC(=O)OCc1ccc(N)cc1 27526664 BQQGAGGSEMLWRS-UHFFFAOYSA-N 166.180 0.864 10 10 ACCE [N-]=[N+]=NC[C@@H](O)CC(=O)O 34144282 YURPXDJXGNHJIR-VKHMYHEASA-N 145.118 0.132 10 10 ACCE C/C=C/COC(=O)C=[N+]=[N-] 79194964 NMVWCJQCEKBAQD-NSCUHMNNSA-N 140.142 0.406 10 10 ACCE C[C@H](NCCCN=[N+]=[N-])C(N)=O 85225348 QEVJGAPUJRXXIA-YFKPBYRVSA-N 171.204 0.150 10 10 ACCE O=C1NC[C@@H](c2cccc(F)c2O)N1 95690445 NWSLHSBOVAMPGF-ZETCQYMHSA-N 196.181 0.885 10 10 ACCE CC(=O)OCC(=O)CN=[N+]=[N-] 136250656 OKIJCKXOUWUSQR-UHFFFAOYSA-N 157.129 0.429 10 10 ACCE O=[N+]([O-])c1ccc(O)c2c1CCNC2 213759221 ATBWNHBAEUAZNW-UHFFFAOYSA-N 194.190 0.946 10 10 ACCE CO/C=C1\C(=O)OC(C)(C)O[C@@H]1O 221134134 DGHARQKIBWPBBP-XSIKTDMUSA-N 188.179 0.145 10 10 ACCE COC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CCN1 238345223 LCIITJYRQYOIJH-WDSKDSINSA-N 184.199 0.590 10 10 ACCE CO[C@H]1COc2cccc(O)c2[C@H]1N 238402023 KAKZXGITILKCEM-WPRPVWTQSA-N 195.218 0.799 10 10 ACCE [N-]=[N+]=N[C@@H]1CC(=O)O[C@@H](CO)C1 238722907 XLHJVECXLYLWMI-CRCLSJGQSA-N 171.156 0.363 10 10 ACCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](C)O1 255987046 MCEQCNCTLXUNDM-AXMZGBSTSA-N 187.199 0.808 10 10 ACCE C[C@H](CN1CC(N=[N+]=[N-])C1)N(C)C 1881992370 KZYPWIVDGQJJKO-SSDOTTSWSA-N 183.259 0.931 10 10 ACCE C[C@H]1[C@@H](O)CN1c1ccc(N)cc1 1882469934 VMZBVXPILVYZOV-XVKPBYJWSA-N 178.235 0.838 10 10 ACCE CCN(CCN=[N+]=[N-])[C@H]1CCNC1=O 1956858995 RXMZBQWNPZJIOK-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE CC(C)[C@@H](NCCCN=[N+]=[N-])C(N)=O 85225326 NUJDBPBZMPSQGV-SSDOTTSWSA-N 199.258 0.786 10 10 ACCE COC[C@H](C)NC(=O)CN=[N+]=[N-] 104702118 LSWMAFCCFFLKQA-YFKPBYRVSA-N 172.188 0.448 10 10 ACCE CC(=O)C(=O)COc1ccc(C)cn1 808021970 FERQHNNDOJUDLI-UHFFFAOYSA-N 193.202 0.927 10 10 ACCE NNc1ccc(O)c(O)c1O 1535830875 UCDRRNJOPXGNJU-UHFFFAOYSA-N 156.141 0.089 10 10 ACCE Oc1ccc(O[C@H]2CCNC2)cc1O 1535866399 UTBGDVHMBOYVNQ-QMMMGPOBSA-N 195.218 0.839 10 10 ACCE CC[C@@H](N)[C@@H]1CCC(=O)C1=O 1932573143 FGVTZRLDWPEKLR-NTSWFWBYSA-N 155.197 0.272 10 10 ACCE C[C@H](N)[C@@H](O)c1cc(O)c(O)c(O)c1 1951857437 VEZLVELRSMVONQ-RNHFCUEFSA-N 199.206 0.184 10 10 ACCE O=S(=O)(O)c1cccc(O)c1O 1530398 VZYDKJOUEPFKMW-UHFFFAOYSA-N 190.176 0.345 10 10 ACCE in-vitro Cc1c(O)c(O)c2c(c1O)C(=O)OC2 14815028 QZSOYNLZPMJODW-UHFFFAOYSA-N 196.158 0.782 10 10 ACCE C[C@@H](N)Cc1cccc(O)c1O 44410296 LVEGUMBVRKKRQA-ZCFIWIBFSA-N 167.208 0.988 10 10 ACCE CCOc1cccc([C@@H](N)CN)c1O 72200478 CKCRMXFAFABTKL-QMMMGPOBSA-N 196.250 0.749 10 10 ACCE COC(=O)[C@H](N)c1cccc(O)c1O 95639676 XIDFKDLETAAAEG-SSDOTTSWSA-N 197.190 0.271 10 10 ACCE CCc1cc(O)c(O)c([C@@H](N)CO)c1 238335544 ZCHUPYUALQQVLJ-QMMMGPOBSA-N 197.234 0.652 10 10 ACCE N[C@H](CO)c1cscc1O 238575096 UINOAVHEHKUJLZ-RXMQYKEDSA-N 159.210 0.446 10 10 ACCE C[C@H](N=[N+]=[N-])[C@@H]1C[C@H](O)[C@@H](O)O1 307535173 QUBNAWGHFBWQOW-BXKVDMCESA-N 173.172 0.153 10 10 ACCE CCN1CC[C@H](NC)[C@@H]1CN=[N+]=[N-] 712014655 CCLGQJIILFJTAL-YUMQZZPRSA-N 183.259 0.979 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@@H]2CCO[C@H]21 1884445124 HSKBANNAFHYMLL-RRKCRQDMSA-N 196.210 0.448 10 10 ACCE CC[C@H](C(N)=O)N1CC(N=[N+]=[N-])C1 1912173005 YKJWCGNJIRMJQI-ZCFIWIBFSA-N 183.215 0.245 10 10 ACCE CN1CC[C@](N)(c2ccccc2O)C1 1928468699 ZJFKDAPPJFPIJB-LLVKDONJSA-N 192.262 0.882 10 10 ACCE CS(=O)(=O)CC[C@@H](CO)N=[N+]=[N-] 1951360424 CVBMHAZAFOLQFF-YFKPBYRVSA-N 193.228 0.092 10 10 ACCE CC(=O)C(=O)c1cncc(O)c1 1951972237 QPHQCCMXFYSLAB-UHFFFAOYSA-N 165.148 0.559 10 10 ACCE C[C@H](NCc1ccccc1O)C(N)=O 35793779 WUIFQSATKSZCCQ-ZETCQYMHSA-N 194.234 0.356 10 10 ACCE [N-]=[N+]=NCCNC=O 84889125 PYFOPRHWPVRQDW-UHFFFAOYSA-N 114.108 0.043 10 10 ACCE [N-]=[N+]=NCC(=O)N1CCCC1=O 104702553 BOWYHNLJRYVDFT-UHFFFAOYSA-N 168.156 0.446 10 10 ACCE N[C@H](CO)c1c(O)ccc(O)c1F 214469309 OMXHPGGGUYVOSC-SCSAIBSYSA-N 187.170 0.229 10 10 ACCE COC(=O)C[C@@H](N)CN=[N+]=[N-] 215293649 SKNPNEZXRVEYHE-SCSAIBSYSA-N 158.161 0.187 10 10 ACCE CCOC(=O)[C@H](O)CCN=[N+]=[N-] 221445185 AOGVRCUCWNGCOS-RXMQYKEDSA-N 173.172 0.611 10 10 ACCE CO[C@H](C)[C@@H]1O[C@@H](O)C[C@@H]1N=[N+]=[N-] 238395268 GWPOOYQQINBXNF-UCROKIRRSA-N 187.199 0.808 10 10 ACCE CC(=O)C(=O)[C@@H](C)C[C@@H](C)C(=O)O 238449753 JNEPUUWVVBNZOP-NTSWFWBYSA-N 186.207 0.891 10 10 ACCE [N-]=[N+]=NCc1nnc(CN=[N+]=[N-])n1N 238602445 CGNGAMMBNJXKPC-UHFFFAOYSA-N 194.162 0.613 10 10 ACCE CNCC(=O)c1cc(O)c(O)c(F)c1 258185549 RCUXVLKZIBIEOH-UHFFFAOYSA-N 199.181 0.639 10 10 ACCE COc1cc(O)c(CN)cc1CO 642879509 QGALAHXVSMEYCN-UHFFFAOYSA-N 183.207 0.352 10 10 ACCE C[C@H](O)C(=O)N(C)c1ccc(N)cc1 1885677483 OMJBXXYVXGNDSS-ZETCQYMHSA-N 194.234 0.612 10 10 ACCE CC(=O)[C@H](N)c1ccc(O)cc1O 1951948258 NORCIPRTEPLHBH-VIFPVBQESA-N 181.191 0.687 10 10 ACCE Oc1ccc(O)c([C@@H]2NCC[C@@H]2O)c1 1952081649 QTRNSBNMJDORRS-UWVGGRQHSA-N 195.218 0.493 10 10 ACCE [N-]=[N+]=NCCN1C[C@H](N)C2(CC2)C1 1954207733 BAQWRZNLZBQXEV-ZETCQYMHSA-N 181.243 0.720 10 10 ACCE C[C@H](O)[C@H](CO)Nc1ccccc1N 1957187004 TVKCNJXIIQXKHQ-XVKPBYJWSA-N 196.250 0.422 10 10 ACCE N[C@H](CO)c1cc(F)c(F)cc1O 72197645 RSBKASBSLHFRBC-SSDOTTSWSA-N 189.161 0.663 10 10 ACCE [N-]=[N+]=NCCN[C@@H](C(N)=O)C1CCC1 87585513 QQIWPNSMXJBPKD-SSDOTTSWSA-N 197.242 0.540 10 10 ACCE [N-]=[N+]=NCCc1nnn[nH]1 95120463 SVPXOJAKPXBRRY-UHFFFAOYSA-N 139.122 0.053 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@@H](O)CN1 139149842 DCTBZANPIUDXKG-CRCLSJGQSA-N 142.162 0.020 10 10 ACCE C[C@](N)(O)c1cc(C=O)ccc1O 238519691 OAJAJRQXDLMQGV-VIFPVBQESA-N 181.191 0.328 10 10 ACCE [N-]=[N+]=N[C@@H]1CCCO[C@H]1O 238695961 GRRCLPKWQUPXGI-RFZPGFLSSA-N 143.146 0.794 10 10 ACCE Oc1ccccc1CNC[C@@H](O)CF 395199433 LSGJHYFRRQSAFD-VIFPVBQESA-N 199.225 0.812 10 10 ACCE C[C@@](O)(CO)[C@H](N)c1ccccc1O 713750384 VKTBBWXZTOJPJK-NXEZZACHSA-N 197.234 0.135 10 10 ACCE CN(C)CC[C@@H](CO)N=[N+]=[N-] 1535744672 ZIKAXBLIMTVFJM-LURJTMIESA-N 158.205 0.609 10 10 ACCE C[C@@H]1[C@@H](O)CN1CCCN=[N+]=[N-] 1880907150 MACXPVLJWQKFLT-RQJHMYQMSA-N 170.216 0.752 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CC[C@@H]2O)C1 1912171063 GAWLYGCNHKWEBT-PRJMDXOYSA-N 182.227 0.894 10 10 ACCE COC[C@@H]1CCC(=O)C(=O)C1 1918859897 IXBVGKVJEOKESJ-ZCFIWIBFSA-N 156.181 0.571 10 10 ACCE CC[C@H](C)C[C@H](O)C(=O)C(C)=O 1929199663 PKAULDDJLSQYSL-XPUUQOCRSA-N 172.224 0.942 10 10 ACCE CCc1cnc([C@@H](O)C(=O)C(C)=O)[nH]1 1929203435 VHXKCGXWSNLIGT-QMMMGPOBSA-N 196.206 0.164 10 10 ACCE [N-]=[N+]=NCc1c[nH]c(=O)cn1 1951383771 RMWIDQVMHWARAX-UHFFFAOYSA-N 151.129 0.580 10 10 ACCE CCNC1CN(CCN=[N+]=[N-])C1 1953758321 KYFVOBMEPIUFKV-UHFFFAOYSA-N 169.232 0.590 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2CNC[C@@H]2C1 1957246482 BDPIAPZDCKPCNS-DTORHVGOSA-N 195.270 0.838 10 10 ACCE CCCC[C@H](O)[C@H](O)C(=O)C(C)=O 238236202 FQADDFWWZCETNJ-CBAPKCEASA-N 188.223 0.057 10 10 ACCE CO[C@@H]1O[C@H](C)C[C@@H](O)[C@H]1N=[N+]=[N-] 306249012 VSODDPUJYJPZAQ-DBRKOABJSA-N 187.199 0.808 10 10 ACCE COCCN(C)C[C@@H](O)CN=[N+]=[N-] 308190834 JJFMBVABEKDUHN-ZETCQYMHSA-N 188.231 0.236 10 10 ACCE Oc1ccc([C@H](O)CF)c(O)c1O 1535832210 GVBBLJXJQJUTPS-ZCFIWIBFSA-N 188.154 0.806 10 10 ACCE [N-]=[N+]=NC1CN(CC2CC(O)C2)C1 1884169827 HMTNKYTZTBDTHY-UHFFFAOYSA-N 182.227 0.752 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccc(N)cc1 1929712125 CHUMHLUEDMWLOA-SNVBAGLBSA-N 193.202 0.460 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CCC[C@H]1C 1930429209 JLZZLOIRWVPHAV-KDILMLJESA-N 184.235 0.942 10 10 ACCE [N-]=[N+]=NCC1(N)CCOCC1 2297008019 ZNOLORHYDOMNAY-UHFFFAOYSA-N 156.189 0.805 10 10 ACCE Nc1ccc(-n2ccnc2CO)cc1 75844647 WNFNISXOGLNDCF-UHFFFAOYSA-N 189.218 0.947 10 10 ACCE O=C(O)/C=C1/SC(=S)NC1=O 168695617 DWLPUANPIMNTSI-OWOJBTEDSA-N 189.217 0.103 10 10 ACCE CC1(C)OC[C@@]2(C=C[C@@H](O)O2)O1 238185607 GGLMLEJZZGTMQP-POYBYMJQSA-N 172.180 0.370 10 10 ACCE [N-]=[N+]=NC[C@@]1(O)C=C[C@H]2CO[C@@H]1O2 238697503 BNOICXKBSVJUSJ-XVMARJQXSA-N 183.167 0.339 10 10 ACCE CO[C@@H]1C=C[C@@](OC)([C@H]2CCCN2)O1 307072445 IJCPQIXAEKCTLR-UTLUCORTSA-N 199.250 0.640 10 10 ACCE [N-]=[N+]=N[C@@H]1C=C[C@@H]2O[C@H]2[C@H]1O 307273027 VIXAWQZAWIMSKR-DPYQTVNSSA-N 153.141 0.363 10 10 ACCE CO[C@@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 709679220 UXQXAOSJROMROZ-NTSWFWBYSA-N 184.199 0.448 10 10 ACCE N[C@@H]1CC(=O)c2c(O)ccc(O)c21 713764258 UHNKDFCSSYQNQA-SCSAIBSYSA-N 179.175 0.684 10 10 ACCE Nc1ccc(O[C@@H]2COC[C@H]2N)cc1 1877581542 WLWSSKGOTHRSKW-NXEZZACHSA-N 194.234 0.374 10 10 ACCE CC(=O)C(=O)[C@]1(O)CSC[C@H]1C 1929188903 ZJXMHXZJOJRSFE-XRGYYRRGSA-N 188.248 0.259 10 10 ACCE NC[C@@H](F)c1cc(O)c(O)c(O)c1 1951863892 SNEXPMMMRAKNTG-RXMQYKEDSA-N 187.170 0.773 10 10 ACCE CCON(CCN=[N+]=[N-])C1CNC1 1954225758 CNZZUWPJFPJEBL-UHFFFAOYSA-N 185.231 0.522 10 10 ACCE CN1Cc2c(O)cccc2[C@@H](O)C1 14723159 BVGIYKRHRXZGIO-JTQLQIEISA-N 179.219 0.871 10 10 ACCE in-vitro CN1Cc2c(ccc(O)c2O)[C@@H](O)C1 75597653 FWPICBDMGQLSKN-VIFPVBQESA-N 195.218 0.577 10 10 ACCE Oc1cccc(CNC2COC2)c1O 87194849 LQPWQQJWFGXRSZ-UHFFFAOYSA-N 195.218 0.586 10 10 ACCE O=c1[nH]c2cc(O)c(O)cc2[nH]1 142661331 UGPAJONXSJEDAO-UHFFFAOYSA-N 166.136 0.267 10 10 ACCE [N-]=[N+]=NC[C@H](CN)N=[N+]=[N-] 142745571 RUTGQOHGKGTWTE-VKHMYHEASA-N 141.138 0.934 10 10 ACCE [N-]=[N+]=N[C@H]1CCO[C@H]1CO 168533776 NNFFDSSCEMKCOP-WHFBIAKZSA-N 143.146 0.447 10 10 ACCE C[C@H](N)[C@](C)(O)c1cccc(O)c1O 1951842090 GCXQTQKAVZVRRJ-WKEGUHRASA-N 197.234 0.653 10 10 ACCE O=C1CCCC2(OCCO2)C1=O 137264734 BJQROJARBDBAFJ-UHFFFAOYSA-N 170.164 0.052 10 10 ACCE COC(=O)[C@@H](CN=[N+]=[N-])OC(C)=O 238351802 LCOZOOORMSUJAO-RXMQYKEDSA-N 187.155 0.401 10 10 ACCE CN[C@@H](CO)c1cccc(S)c1O 238371845 BTWCTDDMLALEMQ-ZETCQYMHSA-N 199.275 0.934 10 10 ACCE C[C@@H]1C[C@H](O)[C@@H](CN=[N+]=[N-])O1 238455905 ODXNZZZCRVFVJD-NGJCXOISSA-N 157.173 0.835 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2O[C@@H]2C[C@H]1O 306160132 LCBHYQNSMRMDNC-ARQDHWQXSA-N 155.157 0.587 10 10 ACCE CC(=O)C(=O)CS[C@H](C)C(C)=O 307946347 JPPHNDNYGZTBAF-SSDOTTSWSA-N 188.248 0.855 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H](O)[C@@H](F)C1 885521192 MRBQKTORPWSWMN-BQBZGAKWSA-N 188.206 0.701 10 10 ACCE Cn1cc([S@@](=O)CCN=[N+]=[N-])cn1 1889973268 KSWNHWBSELIRAX-ZDUSSCGKSA-N 199.239 0.838 10 10 ACCE C[S@@](=O)N1CC[C@@H](N=[N+]=[N-])C1 1912169112 HWYAVMLCPDTPJI-BLTYZCFWSA-N 174.229 0.665 10 10 ACCE N#CN1CC(N=[N+]=[N-])C1 1912171810 PGOUNMMKYKLWDC-UHFFFAOYSA-N 123.119 0.462 10 10 ACCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)O)C1 1912209201 ZJMXGDXBZJKPLQ-ZCFIWIBFSA-N 184.199 0.846 10 10 ACCE CCN1CCN(CCN=[N+]=[N-])CC1=O 1955287436 LCIBEVLAKBUFFO-UHFFFAOYSA-N 197.242 0.461 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@@H](CO)[C@H]2C1 1957215558 CSLGQAGFFYBOIZ-VGMNWLOBSA-N 196.254 0.857 10 10 ACCE COC[C@@H]1CN[C@H](CN=[N+]=[N-])C1 2080958302 NSVDJOSSSFTUIO-BQBZGAKWSA-N 170.216 0.921 10 10 ACCE Nc1ccc(OC[C@H](O)CO)cc1 5933318 UVXFYVIGAUPIOP-MRVPVSSYSA-N 183.207 0.001 10 10 ACCE C=CC(=O)NCCCN=[N+]=[N-] 42013136 PFNRYNDXSDHEIU-UHFFFAOYSA-N 154.173 0.989 10 10 ACCE N[C@H](c1nnco1)c1ccccc1O 83341620 LBVHAUMPAAPLKJ-QMMMGPOBSA-N 191.190 0.823 10 10 ACCE CN(C)C(=O)c1cccc(CN)c1O 95722797 ACOROCZQRJCWCS-UHFFFAOYSA-N 194.234 0.553 10 10 ACCE O[C@@H]1CNc2ccccc2N1 96346935 CHTHLHKDMPRBFZ-MRVPVSSYSA-N 150.181 0.842 10 10 ACCE CCS(=O)(=O)CN=[N+]=[N-] 238264828 PGSYAPRMGLBNRT-UHFFFAOYSA-N 149.175 0.689 10 10 ACCE CN(C[C@@H](O)CN=[N+]=[N-])C1CC1 388415564 DUZNTCVEJJTLSK-ZETCQYMHSA-N 170.216 0.752 10 10 ACCE CCOC(=O)/C(=C/O)C(=O)OC 394374130 JONJGTNFJVCOIM-SNAWJCMRSA-N 174.152 0.164 10 10 ACCE COC(OC)[C@@H](CO)N=[N+]=[N-] 1535675453 PNEWLTLWEUSSPD-SCSAIBSYSA-N 161.161 0.277 10 10 ACCE O=C1NC[C@H](c2cccc(O)c2O)O1 1535731362 RYCDQDDVLYSTCG-SSDOTTSWSA-N 195.174 0.879 10 10 ACCE COCC[C@H](CO)N=[N+]=[N-] 1536203808 ZSROLOGXABSVNR-RXMQYKEDSA-N 145.162 0.694 10 10 ACCE Nc1ccc(OCC2CNC2)cc1 1883786113 JDYGFUGPWKISGZ-UHFFFAOYSA-N 178.235 0.867 10 10 ACCE CC(=O)C(=O)[C@](C)(O)c1cscn1 1934618971 QRVPVCVYWMDLKQ-MRVPVSSYSA-N 199.231 0.509 10 10 ACCE N[C@H](CCO)c1cccc(CO)c1O 44233659 UIDGROZPZQEEGE-SECBINFHSA-N 197.234 0.267 10 10 ACCE CCCN[C@H](CN=[N+]=[N-])C(=O)OC 85622091 ODUPRXXPOBSCEW-ZCFIWIBFSA-N 186.215 0.838 10 10 ACCE C[C@H](/N=N/O)C(=O)O 104713930 WLTBCMGENDSSMU-REOHCLBHSA-N 118.092 0.301 10 10 ACCE C=C(C(=O)O)c1cc(O)c(O)c(O)c1 230512260 MAYMJDDEFRPYDR-UHFFFAOYSA-N 196.158 0.901 10 10 ACCE C[C@H]1C(=O)CC(C)(C)C(=O)C1=O 238433077 ZNDNXINWPDKBNX-YFKPBYRVSA-N 168.192 0.760 10 10 ACCE [N-]=[N+]=NCc1cnc(N)cn1 238587055 PINAONMYWWQIQT-UHFFFAOYSA-N 150.145 0.869 10 10 ACCE NC(=O)N=NN(O)c1ccc(N)cc1 308276389 OODVEBMOWXCNEE-UHFFFAOYSA-N 195.182 0.910 10 10 ACCE CC(CO)(CO)CCN=[N+]=[N-] 1951387602 DBAIUUYAMRXCLB-UHFFFAOYSA-N 159.189 0.678 10 10 ACCE O=C(S)c1cc(O)nc(O)c1 1952071838 PTMOHHFDZAVZST-UHFFFAOYSA-N 171.177 0.563 10 10 ACCE C[C@H](N)C(=O)c1cc(O)nc(O)c1 1952459171 QXSNCKCKRLHVGC-BYPYZUCNSA-N 182.179 0.023 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1coc(C)n1 1953863978 BQTZKNJWDZBXBX-QMMMGPOBSA-N 183.163 0.175 10 10 ACCE C[C@@H](N)c1cc(CO)ccc1O 211586015 KNFLTXLUDGJHPX-ZCFIWIBFSA-N 167.208 0.904 10 10 ACCE C[C@@](N)(C(=O)O)c1cccc(N)c1O 211590752 YLASGKAKFAXQSZ-VIFPVBQESA-N 196.206 0.233 10 10 ACCE C/C=C/[C@@H](N)[C@H](N=[N+]=[N-])C(=O)O 238030041 CDMCDIIJUCUBEC-ZRUBAPSRSA-N 170.172 0.653 10 10 ACCE COC(=O)c1cc(C)c(O)c(O)c1O 238350254 HUYFRAAGQARUSP-UHFFFAOYSA-N 198.174 0.898 10 10 ACCE COc1c(O)c(O)cc(O)c1C=O 238432594 SNHCVXTVOYNVTR-UHFFFAOYSA-N 184.147 0.625 10 10 ACCE N[C@H](CO)c1ccc(O)c(O)c1F 258196553 XZMYNSKBFDNJCJ-RXMQYKEDSA-N 187.170 0.229 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H]2OC(=O)C=N[C@@H]2C1 306557856 JQUAEKQXUJAJAI-PBXRRBTRSA-N 180.167 0.824 10 10 ACCE [N-]=[N+]=NCCN1CC2CC1(CO)C2 694572523 ISESXOSBYUCCIE-UHFFFAOYSA-N 182.227 0.753 10 10 ACCE CC1=C=S=C=C1CNN=N 885243945 WVMZETJMJLNTGD-UHFFFAOYSA-N 153.210 0.944 10 10 ACCE C[C@@H](O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1885667738 IYQQYBBIFLFTQB-RQJHMYQMSA-N 198.226 0.526 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C1CCC1 1929137019 MUFCFPAQRWOXHD-VIFPVBQESA-N 170.208 0.696 10 10 ACCE CC(=O)C(=O)[C@@H](O)C1(C(C)C)CC1 1929227839 MXANSYBFZIJCMO-SECBINFHSA-N 184.235 0.942 10 10 ACCE C[C@@]1(c2ccc(O)c(O)c2)CC(=O)N1 1951854131 ISCQYOYKPYJJCB-JTQLQIEISA-N 193.202 0.833 10 10 ACCE O=C1CN[C@H](c2ccc(O)cc2O)C1 1951947022 DTXWBNDFFXTXCG-VIFPVBQESA-N 193.202 0.701 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H]1[C@H]2CCCC[C@H]21 1956477239 YMHLRKUIPNLQQG-DKIAZLNASA-N 196.246 0.942 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@H]2CC[C@H]1O2 1956571787 GUOBVAZUUWMTLY-FDDDBJFASA-N 198.218 0.073 10 10 ACCE Cc1nc(CN=[N+]=[N-])nn1C 2208969999 JXPDKWCYLCXOTQ-UHFFFAOYSA-N 152.161 0.934 10 10 ACCE [N-]=[N+]=N[C@@H]1C=C[C@@H](O)C1 34278329 KFAWERCQMIXLBB-RFZPGFLSSA-N 125.131 0.986 10 10 ACCE Cc1cn(CCN=[N+]=[N-])c(=O)[nH]c1=O 83892847 MKFINIUMBBCJJX-UHFFFAOYSA-N 195.182 0.155 10 10 ACCE N[C@H](CCCO)c1ccc(O)c(O)c1 95659208 DSTPXGMJZXVHQE-MRVPVSSYSA-N 197.234 0.870 10 10 ACCE CC(=O)C(=O)c1nccs1 140924451 HREDDJWACLRIGO-UHFFFAOYSA-N 155.178 0.915 10 10 ACCE Nc1cc(F)c(F)c(O)c1O 212105718 ZDCDPIAWAMEWOZ-UHFFFAOYSA-N 161.107 0.958 10 10 ACCE COc1ccc(N(C)CNN)cc1C 258971998 BOKCAQQQHFKOJS-UHFFFAOYSA-N 195.266 0.861 10 10 ACCE NCC[C@@H](N)c1ccc(O)c(O)c1 306661597 RYJROWZKWZAZPG-SSDOTTSWSA-N 182.223 0.446 10 10 ACCE CC(=O)C(=O)COC(=O)/C=C/C(C)C 808543733 ZNXLGERQCYWKQM-SNAWJCMRSA-N 198.218 0.900 10 10 ACCE CN=c1cc(CN=[N+]=[N-])nc[nH]1 1881255371 RKTSVWRZCVMGHT-UHFFFAOYSA-N 164.172 0.751 10 10 ACCE O=C1COCC2(CCC2)C1=O 1930889351 FJRWJJRTSAAGHA-UHFFFAOYSA-N 154.165 0.325 10 10 ACCE CC(=O)C(=O)c1snnc1C 1951623437 JFZACUIPVFSGBO-UHFFFAOYSA-N 170.193 0.618 10 10 ACCE C[C@H](CON)c1cc(O)c(O)c(O)c1 1952184930 NWNMQICOKGXIHZ-RXMQYKEDSA-N 199.206 0.797 10 10 ACCE C[C@@H]1[C@H](CN=[N+]=[N-])O[C@H](O)[C@@H]1O 213013577 YIZJYKKCOVLWHM-MOJAZDJTSA-N 173.172 0.011 10 10 ACCE CC(=O)Nc1cc(N)c(O)nc1O 238076596 KLIMWWBMTDXEES-UHFFFAOYSA-N 183.167 0.033 10 10 ACCE O=C1c2cc[nH]c2C(=O)c2cncnc21 238640379 CFULXALJSKCAQP-UHFFFAOYSA-N 199.169 0.580 10 10 ACCE [N-]=[N+]=NC1=CCCNC1=O 238640955 PDOJTWNRUHISQO-UHFFFAOYSA-N 138.130 0.701 10 10 ACCE O=C1c2ccccc2C(=O)C1NO 238711604 GTPLZBATBWFOLI-UHFFFAOYSA-N 177.159 0.413 10 10 ACCE Oc1ccccc1[C@H]1NNC(=S)O1 238728231 YJAUDDCUFOZTGA-ZETCQYMHSA-N 196.231 0.800 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2[C@H]3CCN2C[C@H]1O3 605692078 DBHRKAFVWRKTKR-MVIOUDGNSA-N 166.184 0.521 10 10 ACCE C[C@@H]1C[C@H](N)CN(CCN=[N+]=[N-])C1 1954206267 DAWKEHIMQVVIBP-SFYZADRCSA-N 183.259 0.966 10 10 ACCE OCCNCc1cc(O)ccc1O 83340766 XBMQQEHHBUZSHZ-UHFFFAOYSA-N 183.207 0.180 10 10 ACCE C[C@H](O)[C@@H](N)c1cc(O)ccc1O 95659863 OPTUYGGYKKLELX-SSDLBLMSSA-N 183.207 0.478 10 10 ACCE N[C@H](CO)c1c(O)ccc2c1COC2 108304564 WCWYRHWEPOBXCW-MRVPVSSYSA-N 195.218 0.415 10 10 ACCE [N-]=[N+]=NC[C@H]1OCC[C@@H]1O 140167805 JWCMLHUFLIFATF-CRCLSJGQSA-N 143.146 0.447 10 10 ACCE CC1(C)CC(=O)C(=O)C(=O)C1 196228583 FZGNLVJTHFPHAX-UHFFFAOYSA-N 154.165 0.514 10 10 ACCE CO[C@@]1(C)C=C[C@H](O)O1 238415396 UBRPIPBKTVLSKP-PHDIDXHHSA-N 130.143 0.254 10 10 ACCE C[Si](C)(C)[C@H](N=[N+]=[N-])[C@H](O)CO 238449009 XUOBMPRVQPRXBX-RITPCOANSA-N 189.291 0.896 10 10 ACCE Oc1cc(O)c2c(c1)[C@H](O)CNC2 238671411 SSJHGWJCKZYGCK-SECBINFHSA-N 181.191 0.234 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H](O)C=C[C@H](O)C1 306914706 SDBHPDYXQZXLNB-KVSKUHBBSA-N 169.184 0.737 10 10 ACCE COCO[C@H]1C=CC[C@H](N=[N+]=[N-])[C@H]1N 383689149 TUAHPDTYMMNZFH-BIIVOSGPSA-N 198.226 0.942 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@H]2CC[C@H]1C2 1929223622 HCTRNMOYODIPGL-WYOJIJJFSA-N 196.246 0.942 10 10 ACCE C[C@@H]1CCNCCN1CCN=[N+]=[N-] 1954206487 HHLAHNGLFMJEBP-MRVPVSSYSA-N 183.259 0.981 10 10 ACCE Cc1[nH]cnc1CSCCO 39292821 MOEYGRZHXNPLHJ-UHFFFAOYSA-N 172.253 0.944 10 10 ACCE NOCCOc1ccc(N)cc1 77252545 KJUZGTTXXIIGLI-UHFFFAOYSA-N 168.196 0.538 10 10 ACCE C[C@@H](Cc1ccc(N)cc1)C(N)=O 83427528 XSSRCRZQCJQILD-ZETCQYMHSA-N 178.235 0.933 10 10 ACCE O=c1[nH]ccc2c(O)c(O)c(O)cc12 85948202 KSWJBGRCVAKGKT-UHFFFAOYSA-N 193.158 0.645 10 10 ACCE O=C1NC[C@@H](c2ccc(O)c(O)c2)N1 95690190 SXGDNCVHNALMPG-LURJTMIESA-N 194.190 0.452 10 10 ACCE COC[C@@H](N)c1ccc(O)c(O)c1 104663936 IXAJZBYQMXYRIZ-SSDOTTSWSA-N 183.207 0.744 10 10 ACCE O=C1C(=O)[C@H]2C=C[C@@H]1[C@@H]1C[C@H]21 238679079 DCOXCGBTPSBOCH-RNGGSSJXSA-N 148.161 0.577 10 10 ACCE [N-]=[N+]=NC[C@]1(O)CCNC1 575451542 LWBOIONPPNPFEI-YFKPBYRVSA-N 142.162 0.021 10 10 ACCE COc1cc([C@@H]2C[C@@H]2N)cc(O)c1O 1535814510 LCFWIFMOORDFSA-BQBZGAKWSA-N 195.218 0.921 10 10 ACCE [N-]=[N+]=NCCN1CCNCC2(CC2)C1 1885414264 KWHJFVZZQKWYPL-UHFFFAOYSA-N 195.270 0.982 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCC12CC2 1929200933 AFISMTHKHCJROR-JTQLQIEISA-N 182.219 0.840 10 10 ACCE Oc1cc(F)ccc1[C@H]1C[C@@H](O)CN1 1952071326 OJIVCPJSOOYXAF-VXNVDRBHSA-N 197.209 0.927 10 10 ACCE N[C@H]1CO[C@H](c2cc(O)nc(O)c2)C1 1952725345 ZKFVALSUZCFYSN-RQJHMYQMSA-N 196.206 0.282 10 10 ACCE CC(=O)C(=O)[C@]1(O)C=CC[C@H](C)C1 1954265390 PBIKNYFMWJIJDN-XVKPBYJWSA-N 182.219 0.862 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2[C@@H](CO)C[C@H]2C1 1957215560 CSLGQAGFFYBOIZ-YIZRAAEISA-N 196.254 0.857 10 10 ACCE CCOC(=O)c1c(N)ccc(O)c1O 2055141341 BPDVTVBWAUMQTQ-UHFFFAOYSA-N 197.190 0.857 10 10 ACCE CC1=NNC(=O)C1=C1CCCCCN1 2297748660 OYVZOVDQQXKPSQ-UHFFFAOYSA-N 193.250 0.910 10 10 ACCE Oc1ccccc1CNC1=NCCN1 122162966 FZYQJBQXEWJOQV-UHFFFAOYSA-N 191.234 0.441 10 10 ACCE COC(=O)[C@](C)(O)CN=[N+]=[N-] 199589932 IFZQXKZFIXWPKR-RXMQYKEDSA-N 159.145 0.221 10 10 ACCE in-vitro C[C@@H]1CN(C)CCN1CCN=[N+]=[N-] 235475490 VEULKALCZRQGFL-MRVPVSSYSA-N 183.259 0.933 10 10 ACCE CC(=O)C(=O)c1c(O)cc(C)[nH]c1=O 238046019 XYLRBRRVYSJOGO-UHFFFAOYSA-N 195.174 0.161 10 10 ACCE CN(C)N=Nc1cn(C)c(O)nc1=O 263592660 AJDSAUKNRZFLTF-UHFFFAOYSA-N 197.198 0.046 10 10 ACCE Cc1ccc(O)c([C@H](N)[C@H](O)CO)c1 713801686 VTMFESLFZYAKMY-ZJUUUORDSA-N 197.234 0.054 10 10 ACCE C[C@H]1[C@H](O)CN1c1ccc(CO)cc1 1885909717 YVFIRINZPJAXSA-GZMMTYOYSA-N 193.246 0.748 10 10 ACCE CCCN1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1935106693 UZQKFGSLZOFCRC-RNFRBKRXSA-N 170.216 0.752 10 10 ACCE C[C@@H]1C[C@]1(N)c1c(O)cc(O)cc1O 1951730287 BELPXSYJPUMBJI-GPXNAGAYSA-N 195.218 0.997 10 10 ACCE COC(=O)C(=CO)C(OC)OC 2296604874 HXJYQEAKVUQQLM-UHFFFAOYSA-N 176.168 0.220 10 10 ACCE COc1ccc(O)c([C@H](N)CCO)c1 44232165 SDXNEKIWDGEYPB-SECBINFHSA-N 197.234 0.783 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@H]1CCCCO1 50973623 VQVBKOHPMYDDTE-SSDOTTSWSA-N 198.226 0.982 10 10 ACCE O=C(O)/C(Cl)=C\O 104729223 XMMADMVRNXTYCH-OWOJBTEDSA-N 122.507 0.709 10 10 ACCE CC(C)(N=[N+]=[N-])[C@@H]1O[C@@H]1CO 238161266 FWDYIJFOYDVMPW-RFZPGFLSSA-N 157.173 0.835 10 10 ACCE Nc1ccc(NC(=O)C2CNC2)cc1 238574509 NIUAWGHSGIMMHF-UHFFFAOYSA-N 191.234 0.427 10 10 ACCE OCc1c(O)c(O)cc(O)c1Cl 257953938 BFOHXCMNQLMOFN-UHFFFAOYSA-N 190.582 0.949 10 10 ACCE [N-]=[N+]=CC(=O)[C@H]1CCCOC1 259431859 UCDQXQVMLSBKFT-LURJTMIESA-N 154.169 0.283 10 10 ACCE O=C1C=C(O)c2cccc[n+]21 334138408 FOXWQVGANLURDQ-UHFFFAOYSA-O 148.141 0.527 10 10 ACCE CN1N=S=C(c2ccccc2)C1=O 334139075 YFHPBKVOALYUCQ-UHFFFAOYSA-N 192.243 0.860 10 10 ACCE CN1C(=O)C[C@@H](N=[N+]=[N-])NC1=O 953126626 PCNXHZSWBLKHPL-GSVOUGTGSA-N 169.144 0.195 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@@H]2CO 1884056672 FYFWQBAVBCSPIT-PRJMDXOYSA-N 182.227 0.609 10 10 ACCE CO[C@H](CN)Cc1ccc(O)c(O)c1 1951473477 ODINJYIPESNXMC-QMMMGPOBSA-N 197.234 0.614 10 10 ACCE CNC[C@@H]1C[C@H]1c1cc(O)nc(O)c1 1952431771 PCVONEOKIINWSX-YUMQZZPRSA-N 194.234 0.816 10 10 ACCE CCN(CC)C(=O)C(=O)C(C)=O 34454987 FOJXJCUDDQBRRS-UHFFFAOYSA-N 171.196 0.013 10 10 ACCE CN(C)c1cc(CN)c(N)cc1F 82635460 QQKVLDLSCNFCOF-UHFFFAOYSA-N 183.230 0.933 10 10 ACCE CC[C@](C)(N=[N+]=[N-])C(N)=O 138767414 XAQDLHFCMKJOTA-YFKPBYRVSA-N 142.162 0.951 10 10 ACCE CC(C)[C@@H](O)[C@H](N=[N+]=[N-])C(=O)O 238792989 RGNQLRXQITUMIN-CRCLSJGQSA-N 173.172 0.767 10 10 ACCE C[C@H](N)c1cc(C(=O)O)c(O)cc1O 258021739 IIBFYIBDIGBGRG-BYPYZUCNSA-N 197.190 0.816 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2O[C@H]3O[C@H]4[C@H]([C@H]42)[C@H]1O3 307555132 XPIPIEHKTFSQNO-KOONTEAFSA-N 181.151 0.391 10 10 ACCE NCCC[C@@H](N)c1cccc(O)c1O 575440081 UGPNQFQQRWQZLA-MRVPVSSYSA-N 196.250 0.837 10 10 ACCE N[C@]1(CO)CCCc2cccc(O)c21 713803034 FGUYXACXVJAKRO-NSHDSACASA-N 193.246 0.875 10 10 ACCE NC[C@@H](CO)Nc1ccc(N)cc1 1883151732 AYOJFRBYVYYDNB-VIFPVBQESA-N 181.239 0.000 10 10 ACCE Nc1ccc(OC=C2NCCN2)cc1 1884968453 SLIVYXPEIPHJOR-UHFFFAOYSA-N 191.234 0.639 10 10 ACCE C[C@]1(Oc2ccc(N)cc2)CNOC1 1896334841 LYBSSVZLADEFCK-JTQLQIEISA-N 194.234 0.941 10 10 ACCE COCC(=O)N1CCC(N=[N+]=[N-])CC1 1912206876 UWJKWELLHWYRLK-UHFFFAOYSA-N 198.226 0.934 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1cnc(O)cc1O 1951930834 CPGWYPCLVKOFLF-YFKPBYRVSA-N 196.166 0.837 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)C=CC(=O)O)C1 2209518239 BELUXGNXXSRUIF-UHFFFAOYSA-N 196.166 0.148 10 10 ACCE Oc1cc(O)c(C2OCCO2)cc1O 44227898 CDVZIKAXVQVBFY-UHFFFAOYSA-N 198.174 0.849 10 10 ACCE NC[C@@H](CO)Cc1ccc(N)cc1 107534343 UKUPFOBTQLYGJD-VIFPVBQESA-N 180.251 0.379 10 10 ACCE CN(C)C(=O)[C@@H](N)c1ccccc1O 139973272 BCCSUVXBXTWGBP-VIFPVBQESA-N 194.234 0.480 10 10 ACCE O=C1C[C@@H](c2ccccc2O)NN1 142433927 JKLZDDLPIHVMHQ-ZETCQYMHSA-N 178.191 0.458 10 10 ACCE COC(=O)/C(=C\O)Cc1cncnc1 168092755 JCBCMSMILUNHDL-YVMONPNESA-N 194.190 0.634 10 10 ACCE Nc1nonc1/N=N/c1nonc1F 196092882 WPKFJZSMVBVMSU-BQYQJAHWSA-N 199.105 0.589 10 10 ACCE CCC[C@H](O)[C@H](N=[N+]=[N-])C(=O)O 214836494 HXRXKCMFQQZELU-WHFBIAKZSA-N 173.172 0.911 10 10 ACCE C[C@@H](NC(=N)N)c1ccc(O)c(O)c1 306777363 NDYJRYRKJLDQAR-RXMQYKEDSA-N 195.222 0.642 10 10 ACCE CN(C)N=Nc1n[nH]cc1C(N)=O 383520528 XVZVNGZABZHDKO-UHFFFAOYSA-N 182.187 0.069 10 10 ACCE CC[C@]1(C)NCC[C@@]1(O)C(=O)C(C)=O 1887201427 KZRCZPAUMUSHMQ-VHSXEESVSA-N 199.250 0.038 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@H]2[C@@H]1CN 1896395277 KQQBCSRUXAHDFB-CIUDSAMLSA-N 195.270 0.966 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]2[C@@H]1CN 1896395280 KQQBCSRUXAHDFB-YIZRAAEISA-N 195.270 0.966 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)C(F)F)C1 1912163371 IVBVZWKPGJLUQZ-UHFFFAOYSA-N 176.126 0.773 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H](C)C(C)C 1929192725 JBVWDLMKTYOLQA-HTRCEHHLSA-N 172.224 0.798 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@@H]2C[C@@H]2C1 1932785441 DWQIRCHFPKGSLJ-SRSLHRDFSA-N 168.192 0.306 10 10 ACCE O=C(O)CCCc1cc(O)nc(O)c1 1952069707 UMFDPRRAMHANEV-UHFFFAOYSA-N 197.190 0.900 10 10 ACCE C[C@H]1[C@H](N)CCN1CCN=[N+]=[N-] 1953757386 BKSWLDDZWQUSCB-NKWVEPMBSA-N 169.232 0.718 10 10 ACCE [N-]=[N+]=NC[C@H](F)C1CNC1 2080979804 UBLZADJWKBNNBA-YFKPBYRVSA-N 144.153 0.854 10 10 ACCE CC(C)(C)S(=O)(=O)C=[N+]=[N-] 38885647 VOWQVSBUEPKWCR-UHFFFAOYSA-N 162.214 0.458 10 10 ACCE C=CC(=O)Nc1ccc(CN)c(O)c1 82636755 ACSGTQYYMBXCAN-UHFFFAOYSA-N 192.218 0.975 10 10 ACCE C[C@H](O)CNCc1ccc(N)cc1 83340499 WLSUUVITQLNWSR-QMMMGPOBSA-N 180.251 0.739 10 10 ACCE CNC[C@@](C)(O)c1ccc(O)c(O)c1 169060891 UIGSNQMFCVWRTM-SNVBAGLBSA-N 197.234 0.525 10 10 ACCE CN[C@@H](CO)c1cc(C)ccc1O 211786655 RYVCBZJAULQSLM-VIFPVBQESA-N 181.235 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[N-]=[N+]=N[C@@H](CO)c1c[nH]nc1[N+](=O)[O-] 1535757292 XHFGPDIMAICWEM-BYPYZUCNSA-N 198.142 0.662 10 10 ACCE [N-]=[N+]=NCCCCS(N)(=O)=O 1887601356 WOSVNAWMDUZOBY-UHFFFAOYSA-N 178.217 0.365 10 10 ACCE CNCCNCc1ccc(O)c(O)c1 1887790578 ZFTYSQWAKNWMSV-UHFFFAOYSA-N 196.250 0.407 10 10 ACCE O=C1NC[C@H](c2cc(O)nc(O)c2)O1 1952307331 XWPGQVSVENIVAG-RXMQYKEDSA-N 196.162 0.274 10 10 ACCE [N-]=[N+]=NCCCNC(=O)c1ncc[nH]1 1963698999 NOVGICJRTDYVDD-UHFFFAOYSA-N 194.198 0.840 10 10 ACCE [N-]=[N+]=N[C@H]1C=CC[C@H]1O 39598497 OZHNELFLWOUENW-CRCLSJGQSA-N 125.131 0.986 10 10 ACCE N[C@@H](CCO)c1cc(F)ccc1O 44234227 YBKWSNINMDEVKF-QMMMGPOBSA-N 185.198 0.914 10 10 ACCE CC1(O)C(=O)c2ccccc2C1=O 196673562 SLKRZZIFAQCCRB-UHFFFAOYSA-N 176.171 0.817 10 10 ACCE CN[C@@H](CO)c1ccc(OC)cc1O 211758029 LSDTWAIPSVFXQP-VIFPVBQESA-N 197.234 0.654 10 10 ACCE CO[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])CO1 218448774 NUYOCUMVRJLSRE-PBXRRBTRSA-N 173.172 0.419 10 10 ACCE O=C(O)[C@@H]1C[C@@H](c2ccccc2O)N1 257880286 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195.218 0.866 10 10 ACCE C[C@@](O)(CCN)c1cc(O)nc(O)c1 1952133985 BGWRNZKXPGHDCF-SECBINFHSA-N 198.222 0.049 10 10 ACCE C[C@@H](N)CCc1cc(O)nc(O)c1 1952364694 IRLJCSBRBZNSHM-ZCFIWIBFSA-N 182.223 0.773 10 10 ACCE O=C1O[C@H]2CC=C[C@H]2C1=CO 2293641074 IFWDODLFYRKCQR-FSPLSTOPSA-N 152.149 0.930 10 10 ACCE C[C@@H](N=[N+]=[N-])OCCOCC(=O)O 39125942 YHOKQWYWWQEORC-YFKPBYRVSA-N 189.171 0.761 10 10 ACCE CCNC(=O)CN(C)CCCN=[N+]=[N-] 49728275 RNCAAFYXGQGEAL-UHFFFAOYSA-N 199.258 0.755 10 10 ACCE CC[C@H](NCCN=[N+]=[N-])C(N)=O 85224308 NPSKXLNPPOPNPY-YFKPBYRVSA-N 171.204 0.150 10 10 ACCE [N-]=[N+]=NC[C@H]1N[C@@H](C(=O)O)CS1 87606263 QNPHAWAMJLFHPH-DMTCNVIQSA-N 188.212 0.412 10 10 ACCE C[C@H](O)[C@H](N)c1cc(O)ccc1O 95673081 OPTUYGGYKKLELX-CDUCUWFYSA-N 183.207 0.478 10 10 ACCE CC(=O)[C@@H](N)c1c(O)cccc1CO 238140951 WQSJSWQZCKHADM-SNVBAGLBSA-N 195.218 0.473 10 10 ACCE CN1C(=O)C(Cl)=C(N=[N+]=[N-])[C@@H]1O 238330659 CAQGTBKXQHUAPB-YFKPBYRVSA-N 188.574 0.538 10 10 ACCE N[C@H](CO)c1ccc([N+](=O)[O-])cc1O 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CCN1C(N)=NC[C@H]1CN=[N+]=[N-] 86459039 SQGYWUPLHRKJIQ-YFKPBYRVSA-N 168.204 0.316 10 10 ACCE CC(C)CC(=O)C(=O)[C@H](C)O 139716153 SZFVMQWOAWXRRZ-LURJTMIESA-N 158.197 0.552 10 10 ACCE Cc1ccc(CNCC(=O)O)c(O)c1 238471192 CSQSDJPZBGTAJO-UHFFFAOYSA-N 195.218 0.875 10 10 ACCE Cc1c(O)nc(O)c(N)c1O 238546446 ZDYZMYAJDFWYGC-UHFFFAOYSA-N 156.141 0.089 10 10 ACCE [N-]=[N+]=NC[C@@H]1COC[C@H](O)O1 238704810 NAZOFVJNUGARNQ-RFZPGFLSSA-N 159.145 0.031 10 10 ACCE Nc1ccc(N[C@@H]2COC[C@H]2O)cc1 306407901 ZCIVBNCQROGAQF-NXEZZACHSA-N 194.234 0.440 10 10 ACCE CCNC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CN1 709926922 AHUTUFUXQGSAQJ-PHDIDXHHSA-N 183.215 0.163 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1C[C@H](O)C1 1880796691 HEGIEGLEVXUKHT-LJGSYFOKSA-N 170.216 0.752 10 10 ACCE [N-]=[N+]=NCCN1CC=CC[C@@H]1CO 1881714181 HZPUPBPURMWHIR-MRVPVSSYSA-N 182.227 0.920 10 10 ACCE Nc1ccc(OCc2cnn[nH]2)cc1 1885254068 DVVCLWAYZYMLIK-UHFFFAOYSA-N 190.206 0.966 10 10 ACCE C[C@@H]1NC[C@@H]1NCc1ccccc1O 1885872262 KTUMHKRTEPMMAZ-WPRPVWTQSA-N 192.262 0.842 10 10 ACCE CN(CCN=[N+]=[N-])[C@@H]1CNC[C@@H]1F 1892493442 NSHAIUPUUXZENO-NKWVEPMBSA-N 187.222 0.538 10 10 ACCE Oc1cc(OC2CNC2)cc(O)c1O 1951522976 BOMZHZIOGOVPFE-UHFFFAOYSA-N 197.190 0.154 10 10 ACCE Cn1nc(CCN=[N+]=[N-])ccc1=O 1951608437 NHDVYOGNUVJUGA-UHFFFAOYSA-N 179.183 0.633 10 10 ACCE O=C1CN[C@H](c2cc(O)ccc2O)C1 1951961007 FCXNKASADIMHMU-VIFPVBQESA-N 193.202 0.701 10 10 ACCE [N-]=[N+]=NCCS(=O)(=O)N=[N+]=[N-] 22009511 ODVGAMNNBWDLGH-UHFFFAOYSA-N 176.161 0.937 10 10 ACCE CNS(=O)(=O)CCCCN=[N+]=[N-] 96168500 NRIXHUULRWLBAI-UHFFFAOYSA-N 192.244 0.626 10 10 ACCE Cn1cnn(CCCN=[N+]=[N-])c1=O 128386474 WKQQMRPMUKBRPS-UHFFFAOYSA-N 182.187 0.282 10 10 ACCE [N-]=[N+]=N[C@H]1COC=C[C@H]1O 196419588 VDIMAQQTSQAVOT-CRCLSJGQSA-N 141.130 0.570 10 10 ACCE CC[C@]1(C)CC(=O)C1=O 197063115 FQPDBWIVPAYQIB-SSDOTTSWSA-N 126.155 0.945 10 10 ACCE [N-]=[N+]=N[C@@H]1C(=O)N[C@H]1C(F)(F)F 206836288 FXCWJZNYYGJGJE-NHYDCYSISA-N 180.089 0.726 10 10 ACCE [N-]=[N+]=N[C@@H]1CCCO[C@@H]1N 238659714 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C[S@](=O)CCN1CC(N=[N+]=[N-])C1 1912153366 GCQCTXGYGNJRNT-LBPRGKRZSA-N 188.256 0.359 10 10 ACCE [N-]=[N+]=NCCN1CC=C(CO)CC1 1954018995 GJDRLDRLHVXPCO-UHFFFAOYSA-N 182.227 0.921 10 10 ACCE C[C@@H](CO)C(=O)N1CC(N=[N+]=[N-])C1 2241250624 FDWYRXJETAPGBL-YFKPBYRVSA-N 184.199 0.136 10 10 ACCE N[C@H](CO)c1cccc(F)c1O 72197352 VYDMPHAABWGGEF-SSDOTTSWSA-N 171.171 0.523 10 10 ACCE Cc1cc(C)c(O)c([C@H](N)CN)c1 72200157 ZSAVWVDDYWPSRB-SECBINFHSA-N 180.251 0.968 10 10 ACCE NC1=Nc2cc(O)c(O)cc2C1 136648967 ZZFKOLSVKWFZHP-UHFFFAOYSA-N 164.164 0.643 10 10 ACCE COC(=O)C[C@H](N=[N+]=[N-])C(=O)O 138005563 KMUINHPXTPIMRD-VKHMYHEASA-N 173.128 0.313 10 10 ACCE CNC[C@@H](O)COc1ccc(N)cc1 211395728 HTPZDOJSYDALAA-SECBINFHSA-N 196.250 0.228 10 10 ACCE [N-]=[N+]=N[C@H]1CNC(=O)C1 216020851 HVIKCIPJUZAPNJ-GSVOUGTGSA-N 126.119 0.185 10 10 ACCE CC1CC(NCCN=[N+]=[N-])(C(N)=O)C1 232785025 YDOPTGGEVQLGQV-UHFFFAOYSA-N 197.242 0.540 10 10 ACCE COC(=O)C(N=[N+]=[N-])(OC)OC 238369375 AXZZHYPBXCTFCZ-UHFFFAOYSA-N 175.144 0.416 10 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192.262 0.626 10 10 ACCE CC(=O)C(=O)C1CCN(C)CC1 259226876 QHVDXKWNNQDDBR-UHFFFAOYSA-N 169.224 0.486 10 10 ACCE CONC(=O)Cc1ccc(O)c(O)c1 675067855 OHNBQAQNRWASPB-UHFFFAOYSA-N 197.190 0.318 10 10 ACCE [N-]=[N+]=N[C@H]1COC[C@@H]1N 698857860 CQNGRFQRCRGHCI-IMJSIDKUSA-N 128.135 0.023 10 10 ACCE C[C@H]1CN[C@H](CN=[N+]=[N-])O1 885230775 GFSUVYCPKPCSCO-WHFBIAKZSA-N 142.162 0.631 10 10 ACCE O=[N+]([O-])Cc1cc(O)ccc1O 1535735538 MAZNTRPSROKFGU-UHFFFAOYSA-N 169.136 0.875 10 10 ACCE O=C1CCN(C2CC2)CCC1=O 1615890585 ALAUJEKFUFYGON-UHFFFAOYSA-N 167.208 0.383 10 10 ACCE Cc1cccc(CNOCCO)c1O 1888294538 UUJCVEDJALGLRS-UHFFFAOYSA-N 197.234 0.714 10 10 ACCE N[C@@H](c1ccccc1O)C1(O)COC1 1929437825 HOWRDIDDRFWWSM-VIFPVBQESA-N 195.218 0.153 10 10 ACCE C[C@@H]1C[C@]1(CN)c1cc(O)nc(O)c1 1952536793 VVJGDZJGRJTRGW-LHLIQPBNSA-N 194.234 0.729 10 10 ACCE O=C1CCOC2(CCC2)C1=O 1953240710 PFOOLJLAUCMALW-UHFFFAOYSA-N 154.165 0.468 10 10 ACCE [N-]=[N+]=N[C@@H]1CC2(CC[C@@H]1O)OCCO2 130768074 KFCLTIIKGNGKLE-RQJHMYQMSA-N 199.210 0.953 10 10 ACCE CC(=O)C(=O)C(=O)OCC(C)C 149869710 ABJSCYYNSLQFDQ-UHFFFAOYSA-N 172.180 0.344 10 10 ACCE Nc1cc(F)c(O)c(O)c1C(=O)O 214467930 QGWPDVDMFZTVPD-UHFFFAOYSA-N 187.126 0.517 10 10 ACCE [N-]=[N+]=NCCNC(=O)C(F)F 236135617 OBXOCFKSEXIPBF-UHFFFAOYSA-N 164.115 0.678 10 10 ACCE CC(=O)OC[C@@H]1C[C@@H](N=[N+]=[N-])C(=O)O1 238158609 KZVRKLUWGQIKMT-NTSWFWBYSA-N 199.166 0.544 10 10 ACCE Oc1cc2c(cc1O)C[C@H]1O[C@H]1C2 238701188 XRMRJXJPXILNJN-AOOOYVTPSA-N 178.187 0.964 10 10 ACCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N=[N+]=[N-] 575569203 IRLYLYSYVHKJNI-CRCLSJGQSA-N 191.212 0.109 10 10 ACCE CC[C@@H]1C[C@H]1C(=O)OCC(=O)C(C)=O 837974197 SQEVUCOLHBHMRV-HTQZYQBOSA-N 198.218 0.734 10 10 ACCE N[C@@H](c1nc[nH]n1)c1ccccc1O 1928467413 KGYGMICYNGPHQE-MRVPVSSYSA-N 190.206 0.558 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@H](CO)CO1 1934442828 WOWJOQKINWIHIC-RITPCOANSA-N 157.173 0.694 10 10 ACCE N[C@H]1C[C@@H]1Cc1cc(O)nc(O)c1 1952678118 OVGBOSYVSRLMJJ-BQBZGAKWSA-N 180.207 0.383 10 10 ACCE COc1ccc([C@@H](N)CCO)c(O)c1 44232138 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198.222 0.048 10 10 ACCE Nc1ccc(CNC=O)cc1 34539980 FTQOSAMFPOHXNU-UHFFFAOYSA-N 150.181 0.515 10 10 ACCE C[C@@H]1CC[C@@H](C(=O)NCCN=[N+]=[N-])O1 88142824 BYQIJCSNBKVHOO-RQJHMYQMSA-N 198.226 0.980 10 10 ACCE COc1cccc([C@@H](N)[C@H](C)O)c1O 95672455 XTHDNBIWBSSVEP-RCOVLWMOSA-N 197.234 0.781 10 10 ACCE O=C1C(=O)[C@@H]2CC23C[C@@H]13 224210918 VESHFNBQQWPOLH-HMFOOQLRSA-N 122.123 0.164 10 10 ACCE CO[C@@H](C)C(=O)C(C)=O 238365940 FAULUOKKBSLSJZ-YFKPBYRVSA-N 130.143 0.179 10 10 ACCE CO[C@@]1(C)C=C[C@@H](O)O1 238415522 UBRPIPBKTVLSKP-NTSWFWBYSA-N 130.143 0.254 10 10 ACCE OCc1cccc(CNO)c1O 258009947 MUYSFLDJQNTMNG-UHFFFAOYSA-N 169.180 0.363 10 10 ACCE CN1CCNCc2c(O)cccc21 259651517 HDOYKIJCBQPIRS-UHFFFAOYSA-N 178.235 0.932 10 10 ACCE Cn1ccc(C2=CCNC2)cc1=O 306265760 FAAJYFZHHIFPPU-UHFFFAOYSA-N 176.219 0.372 10 10 ACCE CN(c1ccc(N)cc1)[S@@](C)=O 306577305 LDTCNUBVPDDBQW-GFCCVEGCSA-N 184.264 0.999 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@H]2C[C@H]2C1 1917626941 CJRXVFIDYJGBKY-NRPADANISA-N 182.219 0.696 10 10 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CN(CCN=[N+]=[N-])C[C@@H]1COCCN1 1957248956 GPZXLOJVGYVDME-MRVPVSSYSA-N 199.258 0.217 10 10 ACCE [N-]=[N+]=N[C@@H]1COC[C@@H]1O 39184563 FAHKAHMLFQVMPR-DMTCNVIQSA-N 129.119 0.056 10 10 ACCE [N-]=[N+]=NC[C@H]1CC[C@@H](CO)O1 213882175 AQQMOBMMRBLTGD-RITPCOANSA-N 157.173 0.837 10 10 ACCE Nc1ccc(O)c(O)c1C(=O)O 219621907 VALYWDSVGVIJIA-UHFFFAOYSA-N 169.136 0.378 10 10 ACCE Cc1c([C@H](N)CO)cc(O)c(O)c1C 258163174 VIBURQRWJCEYTK-MRVPVSSYSA-N 197.234 0.707 10 10 ACCE [N-]=[N+]=NC[C@H](N)CCO 702714982 YZNQICKTWFHIFU-SCSAIBSYSA-N 130.151 0.006 10 10 ACCE COc1cccc(O)c1[C@H](N)C(C)=O 1951953858 HNWMJNNUDWSMDA-SNVBAGLBSA-N 195.218 0.990 10 10 ACCE NCC[C@@H]1C[C@@H]1c1cc(O)nc(O)c1 1952431085 DUBRXYQRNNUCMQ-SVRRBLITSA-N 194.234 0.945 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1N 1953758923 RYMXHCCKTZSPHM-RQJHMYQMSA-N 169.232 0.576 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1[C@H]2CCC[C@H]21 1953875539 MCJVIDYNOHYTOA-IBCQBUCCSA-N 182.219 0.552 10 10 ACCE Nc1cn(-c2ccc(O)c(O)c2)cn1 83277763 DETGYJFVELWQJS-UHFFFAOYSA-N 191.190 0.866 10 10 ACCE C[C@@](N)(CO)c1ccc(O)c(O)c1 95756999 UWLBKQKUQIBBHO-SECBINFHSA-N 183.207 0.264 10 10 ACCE NC(=O)c1ccc(O)c(C2(N)CC2)c1 238549139 VUGGONXHCHSQAX-UHFFFAOYSA-N 192.218 0.439 10 10 ACCE [N-]=[N+]=N[C@H](CO)[C@H]1CO1 238701446 BTDADGYVWBVUIB-QWWZWVQMSA-N 129.119 0.056 10 10 ACCE Oc1ccc(CNN2CCC2)c(O)c1 686778930 FFTSRJWGWIKXJU-UHFFFAOYSA-N 194.234 0.808 10 10 ACCE C[C@@]12C[C@@H]1C(=O)N(CCN=[N+]=[N-])C2=O 1912156892 OGITUZZOMFWMLK-SVGQVSJJSA-N 194.194 0.692 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H]2C=C[C@H]1C2 1929199277 MHYFNEAVLDSKMC-NRPADANISA-N 180.203 0.472 10 10 ACCE CO[C@@H](CN)c1cc(O)c(O)c(O)c1 1951473925 SQLPQEFWYJWHIK-QMMMGPOBSA-N 199.206 0.450 10 10 ACCE Cn1nc([C@H](CO)N=[N+]=[N-])ccc1=O 1951831126 VPRYUQXIDKTCTM-LURJTMIESA-N 195.182 0.124 10 10 ACCE c1csc(Sc2nnn[nH]2)n1 60216089 GESFIRRBEKVPRC-UHFFFAOYSA-N 185.237 0.807 10 10 ACCE N[C@@H](CCO)Cc1ccc(O)c(O)c1 74240297 PJTMSMUSEGRVOQ-QMMMGPOBSA-N 197.234 0.350 10 10 ACCE NC[C@@H](O)Cc1ccc(N)cc1 76165625 CYLNZCHNMMYBKS-VIFPVBQESA-N 166.224 0.131 10 10 ACCE CC1(C)OC[C@@H](O)[C@@H](N=[N+]=[N-])CO1 222182763 HSYVEISFXHLXRV-NTSWFWBYSA-N 187.199 0.809 10 10 ACCE CC(C)(N=[N+]=[N-])[C@H](O)CO 238161428 OZGLEUDRDKZEPN-SCSAIBSYSA-N 145.162 0.429 10 10 ACCE Cc1cc(O)cc([C@@H](N)CN)c1O 238479547 HWPZBSIXSDYGMA-QMMMGPOBSA-N 182.223 0.365 10 10 ACCE ONCc1cc(O)ccc1O 238712015 ZGYQPWLHJHTGII-UHFFFAOYSA-N 155.153 0.577 10 10 ACCE CO[C@@H]1O[C@H]([C@H](C)N=[N+]=[N-])C[C@H]1O 306448261 HSXARAAYUJTEEK-BNHYGAARSA-N 187.199 0.808 10 10 ACCE NC(=S)Cc1cccc(O)c1O 1535731025 LKJJKSBJONQQED-UHFFFAOYSA-N 183.232 0.926 10 10 ACCE O=C1CCOC2(CCCC2)C1=O 1934143508 FQGSXYZJDVWLIJ-UHFFFAOYSA-N 168.192 0.858 10 10 ACCE CC(=O)C(=O)c1ccc(N(C)C)nc1 1951972156 WEJBRGRSOAKGIY-UHFFFAOYSA-N 192.218 0.919 10 10 ACCE Oc1cc(C2OCCO2)cc(O)c1O 33861537 LFLGKVQJBHSDNG-UHFFFAOYSA-N 198.174 0.849 10 10 ACCE [N-]=[N+]=NCCCn1nc(O)ccc1=O 42416088 HWGLYIQIVMJUHX-UHFFFAOYSA-N 195.182 0.649 10 10 ACCE CO[C@@H](CO)CN=[N+]=[N-] 143974611 NFDBIPXLAFPINO-SCSAIBSYSA-N 131.135 0.304 10 10 ACCE COc1cc(O)c([C@@H](N)CO)cc1C 212168739 WVHFUYJFYKBKEM-QMMMGPOBSA-N 197.234 0.701 10 10 ACCE [N-]=[N+]=N[C@@H]1COC[C@H]1C(=O)O 238665515 ZFBOBLXVDXFYNT-QWWZWVQMSA-N 157.129 0.396 10 10 ACCE N[C@]1(CO)CCc2c1ccc(O)c2O 713795499 OQNVCMRUMCTMKS-JTQLQIEISA-N 195.218 0.190 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H](O)CCC1=O 1912146002 OCXLSKMASNRMGE-SSDOTTSWSA-N 198.226 0.670 10 10 ACCE [N-]=[N+]=NCCCN1CCCN1 1953340671 IBEDBCGUKJOIMG-UHFFFAOYSA-N 155.205 0.897 10 10 ACCE C[C@H](N)[C@H]1CCN(CCN=[N+]=[N-])C1 1954206859 MXNJDGGZMQUNGA-YUMQZZPRSA-N 183.259 0.966 10 10 ACCE C[C@](O)(CO)COc1ccc(N)cc1 1956551282 CJTLILDJMVZQLZ-JTQLQIEISA-N 197.234 0.391 10 10 ACCE [N-]=[N+]=NCCN1CC(=O)N[C@@H]2CC[C@H]21 1956627011 HXVFYJWQQJKZRR-RNFRBKRXSA-N 195.226 0.260 10 10 ACCE COc1cccc(CNCCN)c1O 37712393 NSZFNIVCPMROIX-UHFFFAOYSA-N 196.250 0.449 10 10 ACCE NC[C@@H](O)CCc1ccc(N)cc1 107534808 RHELQBOZKDJRIH-JTQLQIEISA-N 180.251 0.521 10 10 ACCE CCC(=O)C(=O)CC(=O)OC 196510050 XEWPSQBGJVSKLC-UHFFFAOYSA-N 158.153 0.098 10 10 ACCE [N-]=[N+]=NCCSCC(N)=O 300767251 BYFUWXVPQULHKL-UHFFFAOYSA-N 160.202 0.515 10 10 ACCE CC(=O)C(=O)[C@@H](O)C1CC2(CC2)C1 1882581520 PVRZDXJBPSMCOM-VIFPVBQESA-N 182.219 0.696 10 10 ACCE CC[C@H](O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1888654010 JDCXXFAIDCKRFK-RQJHMYQMSA-N 198.226 0.669 10 10 ACCE CN(CCCCN=[N+]=[N-])CC(N)=O 1912199869 YSFGRNMHWXNILQ-UHFFFAOYSA-N 185.231 0.494 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CC12CC2 1929223139 CNVWSBXNFPXEQH-HTRCEHHLSA-N 168.192 0.306 10 10 ACCE C[C@@H](O)Cc1cc(O)c(O)c(O)c1 1951471041 BDBBJJDUCJRVHE-RXMQYKEDSA-N 184.191 0.727 10 10 ACCE CNC[C@H](O)Cc1ccc(O)c(O)c1 1951519023 UUBNAVSCHCPRRW-MRVPVSSYSA-N 197.234 0.221 10 10 ACCE OCCNCc1cccc(O)c1O 41049407 IPKCJWNZLVUQRT-UHFFFAOYSA-N 183.207 0.180 10 10 ACCE CC[C@@H]1C(=O)NCCN1CCN=[N+]=[N-] 82478400 ZHLFLLURMJNDAH-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE CN1CCO[C@H](CN=[N+]=[N-])C1 86006776 YVTZYEJDUFWBGV-ZCFIWIBFSA-N 156.189 0.627 10 10 ACCE CC(C)(C)NC(=O)C=S(C)(C)=O 238094799 WEYLZRKRPQLDTG-UHFFFAOYSA-N 191.296 0.247 10 10 ACCE Cc1c([C@H](O)CN)cc(O)c(O)c1C 258059305 LHIPPRWYWOHCJS-SECBINFHSA-N 197.234 0.707 10 10 ACCE [N-]=[N+]=NCCNC(=O)Cn1ccnc1 389244367 ZYKCTYRPZVURTJ-UHFFFAOYSA-N 194.198 0.310 10 10 ACCE Oc1ccc(CNN2CCC2)cc1O 686779163 QGZPNTLQQSENBM-UHFFFAOYSA-N 194.234 0.808 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)c1ccncc1 1918954147 GZEAGULQDVXYNB-JTQLQIEISA-N 193.202 0.447 10 10 ACCE CC(=O)C(=O)CSC[C@H](C)O 1923934663 ROYTUHKPJSNETJ-YFKPBYRVSA-N 176.237 0.259 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccc(C)cn1 1929191108 UVQPGXLXQZKKFJ-SNVBAGLBSA-N 193.202 0.582 10 10 ACCE COc1cccc(O)c1CNN(C)C 1955553641 LRGXXFHBKOWQIH-UHFFFAOYSA-N 196.250 0.967 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCCCNCC1 2242079328 DFQBOWSCIMSWRN-JTQLQIEISA-N 199.250 0.039 10 10 ACCE COCCNC(=O)[C@@H](C)N=[N+]=[N-] 104701540 GUDINYZHUYTWOM-RXMQYKEDSA-N 172.188 0.448 10 10 ACCE COCCOC(=O)[C@@H](C)N=[N+]=[N-] 108412535 VHXLKDOCUGYDAM-RXMQYKEDSA-N 173.172 0.875 10 10 ACCE CCC[C@H](O)[C@@H](O)[C@@H](CO)N=[N+]=[N-] 208195322 PNVWCFFFRZFVPA-VQVTYTSYSA-N 189.215 0.180 10 10 ACCE CN[C@@H](O)c1ccc(O)c(O)c1 209518405 VXUGHVVKQRTEBK-QMMMGPOBSA-N 169.180 0.308 10 10 ACCE CO[C@@H]1CC[C@H](O)[C@@H](CN=[N+]=[N-])O1 219137955 RVXGPVMBHSCJBO-XVMARJQXSA-N 187.199 0.809 10 10 ACCE C[C@@H](N)c1ccc(O)c(CN)c1 258597850 UQGBWUMJALMLQY-ZCFIWIBFSA-N 166.224 0.871 10 10 ACCE CN(O)Cc1c(O)cc(O)cc1O 1535670785 KMXBXEDPKFUPOG-UHFFFAOYSA-N 185.179 0.624 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H](O)[C@H]2C1 1912156965 PFNZMHYGIDXREP-FXQIFTODSA-N 182.227 0.609 10 10 ACCE CCC(C)(C)[C@H](O)C(=O)C(C)=O 1929191714 AECKYSSRLMFIBR-MRVPVSSYSA-N 172.224 0.942 10 10 ACCE CC(C)CN1C[C@H](N=[N+]=[N-])[C@H](O)C1 1935168005 RUNMOVWQRCAXRY-JGVFFNPUSA-N 184.243 0.998 10 10 ACCE C[C@@H](O)[C@@H](N)Cc1cccc(O)c1O 1951961903 KVIDNRGNRBRIMX-SVRRBLITSA-N 197.234 0.348 10 10 ACCE CC(=O)C(=O)C1(O)CCC(F)CC1 2241940426 PDPKWROCJZLQHZ-UHFFFAOYSA-N 188.198 0.788 10 10 ACCE Nc1ccc(OC[C@@H](O)CO)cc1 5933319 UVXFYVIGAUPIOP-QMMMGPOBSA-N 183.207 0.001 10 10 ACCE NC[C@H]1OCCc2c1ccc(O)c2O 11422304 JBSRTZUQAXYSQB-SECBINFHSA-N 195.218 0.670 10 10 ACCE in-vivo COc1cc(C)cc([C@H](N)CO)c1O 72197815 LLZSJAGTBHPRTH-MRVPVSSYSA-N 197.234 0.701 10 10 ACCE CC[C@H]1C(=O)NCCN1CCN=[N+]=[N-] 82478403 ZHLFLLURMJNDAH-ZETCQYMHSA-N 197.242 0.507 10 10 ACCE C[C@@H](O)[C@H](N)c1ccc(O)c(O)c1 95672436 CZQITZBXRIORGE-ANLVUFKYSA-N 183.207 0.478 10 10 ACCE CNCCNCCCN=[N+]=[N-] 196770035 UZUMCYLEICSVJT-UHFFFAOYSA-N 157.221 0.496 10 10 ACCE O=C1NC(=O)c2ccccc2/C1=C\O 217391311 VIGNBDHOCBWGHI-VMPITWQZSA-N 189.170 0.856 10 10 ACCE CC(=O)C(=O)CC(=O)c1cn(C)cn1 232576957 YSFARWBUFAPJNS-UHFFFAOYSA-N 194.190 0.151 10 10 ACCE Nc1c(O)c(O)c2ncccc2c1O 238580585 XAWULNJGWFZXCF-UHFFFAOYSA-N 192.174 0.934 10 10 ACCE Nc1ccc2c(c1O)[C@@H](N)CCO2 238606640 CWEKIENEOFBHRV-YFKPBYRVSA-N 180.207 0.757 10 10 ACCE Oc1ccc([C@@H]2CCNC2)c(O)c1O 238728796 NEGHVGUUGRQQRO-ZCFIWIBFSA-N 195.218 0.880 10 10 ACCE NCC[C@@H](N)c1cc(F)cc(N)c1O 306937307 IUTFMPHQSNCIPV-SSDOTTSWSA-N 199.229 0.462 10 10 ACCE N[C@H]1CC(=O)c2cc(O)c(O)cc21 713764263 UIZFNGSGYNYRDI-LURJTMIESA-N 179.175 0.684 10 10 ACCE C[C@@H](O)C(=O)N1CCC(N=[N+]=[N-])CC1 1885667904 JRFKZPROEAFDKO-ZCFIWIBFSA-N 198.226 0.669 10 10 ACCE NOCCCc1ccc(O)c(O)c1 1951474263 YKVPGURDFNRSQG-UHFFFAOYSA-N 183.207 0.921 10 10 ACCE NC[C@H](F)Cc1cc(O)nc(O)c1 1952856861 IIYAZQFOXGLQRF-ZCFIWIBFSA-N 186.186 0.332 10 10 ACCE Nc1ccc(F)c([C@H](N)CO)c1O 72197576 ILNAOPDVOLPNDT-ZCFIWIBFSA-N 186.186 0.106 10 10 ACCE OCc1cccc([C@H]2CCN2)c1O 104456283 OTULDYGHAOJNMZ-SECBINFHSA-N 179.219 0.919 10 10 ACCE CN(C)Cc1cccc(CN)c1O 108369575 AQMBFCVCGYGKID-UHFFFAOYSA-N 180.251 0.913 10 10 ACCE CN[C@H](CO)c1cc(C)cc(N)c1O 238359435 CQTDVMNQKVIOEL-SECBINFHSA-N 196.250 0.536 10 10 ACCE C[C@@]12CC[C@@H](C1)C(=O)C2=O 238444644 YPCUGBQTFZBATG-YLWLKBPMSA-N 138.166 0.945 10 10 ACCE C[C@@H](O)[C@H](N)c1c(O)cccc1O 238451928 KTSAMCQRBZBUOZ-ANLVUFKYSA-N 183.207 0.478 10 10 ACCE C[C@H](N)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 238469579 WWNJXWMPSINXCV-BQBZGAKWSA-N 197.242 0.635 10 10 ACCE NCC[C@H](N)c1cc(F)cc(N)c1O 306653185 IUTFMPHQSNCIPV-ZETCQYMHSA-N 199.229 0.462 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H](O)[C@H]2CO[C@@H]1O2 307399791 XXPUCQCQXOZIDF-UNTFVMJOSA-N 171.156 0.171 10 10 ACCE C[C@H](N)[C@H](N)c1cc(O)ccc1O 307575342 KAHJSIYYVQFIQI-CDUCUWFYSA-N 182.223 0.445 10 10 ACCE Nc1ccc(OCC2(F)CNC2)cc1 1896303146 RUIBPVRGTHCRAE-UHFFFAOYSA-N 196.225 0.959 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@@H]2CC[C@@H]2C1 1897462788 STFXUDUTNITSBM-UYAYMFIHSA-N 196.246 0.942 10 10 ACCE O=C1CC[C@H](C(=O)c2cnco2)C1=O 1932573786 OZYYPQIEGFXINH-YFKPBYRVSA-N 193.158 0.406 10 10 ACCE [N-]=[N+]=NCCNC(=O)c1ncccn1 1963809812 VTZLHMOIXDIABS-UHFFFAOYSA-N 192.182 0.517 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@H]1[C@H]2N 2297146112 UIKJQTKXFFPFDJ-PRJMDXOYSA-N 181.243 0.718 10 10 ACCE Cc1c(F)ccc([C@@H](N)CN)c1O 72200224 XCXSMAUHUTUTKZ-QMMMGPOBSA-N 184.214 0.798 10 10 ACCE Oc1c(F)cccc1[C@H]1CNCCN1 95691827 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C[C@](N)(CO)c1c(O)cccc1F 211721809 MVVKAZKYVCTMTI-VIFPVBQESA-N 185.198 0.698 10 10 ACCE Nc1c(O)c(O)cc2c1COC2 212269148 MJAGTRVNEHTDDW-UHFFFAOYSA-N 167.164 0.710 10 10 ACCE CC(=O)OCCCC(=O)C(C)=O 238143677 RQOSYTCGTHGYEE-UHFFFAOYSA-N 172.180 0.488 10 10 ACCE CO[C@H](C)[C@H](O)CN=[N+]=[N-] 1880094699 CDMPIAYZAZWBDF-RFZPGFLSSA-N 145.162 0.693 10 10 ACCE CCC[C@@H](N)[C@H](O)CN=[N+]=[N-] 1880210208 FUSYUUYIURJXNT-PHDIDXHHSA-N 158.205 0.785 10 10 ACCE C[C@@H]1CCN(CCN=[N+]=[N-])CCN1 1883439493 HQYQVKPZJPHZMK-MRVPVSSYSA-N 183.259 0.981 10 10 ACCE CC(C)(CO)CN1CC(N=[N+]=[N-])C1 1912166104 SFJHNMUGLSKFKB-UHFFFAOYSA-N 184.243 0.999 10 10 ACCE C[C@@H](N)[C@H](O)c1cccc(O)c1O 1951841628 BPLDWZFUCZXOSV-XRGYYRRGSA-N 183.207 0.478 10 10 ACCE [N-]=[N+]=NC[C@@]1(O)CCOC1 1953166621 PVIWVEMRVJYUQR-YFKPBYRVSA-N 143.146 0.448 10 10 ACCE NCc1c(O)cccc1[N+](=O)[O-] 144424948 OVKMCETXCBHMBZ-UHFFFAOYSA-N 168.152 0.759 10 10 ACCE C=COCCOC[C@@H](O)CN=[N+]=[N-] 196751657 FUEUAPJMYNNNCV-ZETCQYMHSA-N 187.199 0.834 10 10 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[N-]=[N+]=N[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C[C@H]1O 307050534 LTERTUYKFMDNRX-KVTDHHQDSA-N 198.186 0.860 10 10 ACCE COc1cc(CNO)cc(O)c1O 1535816546 CXVSCKQZVXOSDA-UHFFFAOYSA-N 185.179 0.585 10 10 ACCE COC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 1885288433 VPIVKUVARFIENB-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE C[C@@H](O)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1885668719 OQKLWSPGLKYGHW-RNFRBKRXSA-N 198.226 0.669 10 10 ACCE C[C@@H]1CCN[C@@H]([C@@H]2CCC(=O)C2=O)C1 1932573999 SSMLJYBUYQJULN-HRDYMLBCSA-N 195.262 0.923 10 10 ACCE Cc1ccc([C@@H](N)CN)c(O)c1 72200014 IKYZYEKSPBUZSP-QMMMGPOBSA-N 166.224 0.659 10 10 ACCE CCOC(=O)c1cc(O)nc(O)c1 82390095 HJZKGSNCIHVALE-UHFFFAOYSA-N 183.163 0.670 10 10 ACCE N#CNCCN=[N+]=[N-] 217969339 FEMDUTHJWQKIGG-UHFFFAOYSA-N 111.108 0.367 10 10 ACCE CC(=O)O[C@@H]1C=C[C@H](N=[N+]=[N-])[C@@H]2O[C@@H]21 238182505 VPKCNIQCBVPDOX-FKSUSPILSA-N 195.178 0.934 10 10 ACCE Oc1ccccc1[C@@H]1NNC(=S)O1 238728112 YJAUDDCUFOZTGA-SSDOTTSWSA-N 196.231 0.800 10 10 ACCE CCOC(=O)N=N/C(C)=C\C(N)=O 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O=C1CCN[C@H]1c1ccc(O)c(O)c1 107180214 AUUISWOXTZFQOI-JTQLQIEISA-N 193.202 0.701 10 10 ACCE Nc1cc(O)c(O)c2o[n+]([O-])cc12 144554917 GUBAASXUGNYEAU-UHFFFAOYSA-N 182.135 0.060 10 10 ACCE NCCc1cc(O)c(O)c(O)c1O 206366304 SXZFCJURIWPUCO-UHFFFAOYSA-N 185.179 0.010 10 10 ACCE Cc1c(O)ccc([C@H](N)CN)c1O 238539993 WICMQIFQMPQHIH-SSDOTTSWSA-N 182.223 0.365 10 10 ACCE CC(C)(O)[C@H](CO)N=[N+]=[N-] 687756572 MGNBRZZHELPQIV-BYPYZUCNSA-N 145.162 0.429 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@]12COC[C@H]1C2 689134520 ITRLKCDEAIMYDS-HTRCEHHLSA-N 196.210 0.449 10 10 ACCE CC[N+]1=C=C([C@@H](C)NN=N)N=N1 885280505 RSFSJBGFEXOOMJ-RXMQYKEDSA-N 167.196 0.877 10 10 ACCE C[C@H](CS(=O)(=O)N=[N+]=[N-])C(=O)O 1880975370 IKUOJMJZQOKGQR-GSVOUGTGSA-N 193.184 0.347 10 10 ACCE OCC=Cc1cc(O)nc(O)c1 1951730743 CXBJVAXBMQBLAX-UHFFFAOYSA-N 167.164 0.498 10 10 ACCE NC1([C@@H](O)c2cc(O)nc(O)c2)CC1 1952854950 BUWUTERLXLZRAK-QMMMGPOBSA-N 196.206 0.018 10 10 ACCE CN1N=C(C(C)(C)C)C(=O)C1=O 34538529 JOKVLNJRXUHMPW-UHFFFAOYSA-N 168.196 0.430 10 10 ACCE C[C@@H](O)[C@H](CO)N=[N+]=[N-] 238447227 ZSAAIHCECJJRIS-DMTCNVIQSA-N 131.135 0.038 10 10 ACCE Cc1cc(O)cc(O)c1[C@@H](N)CCO 238479065 WKIGJKHYRCSNNJ-QMMMGPOBSA-N 197.234 0.788 10 10 ACCE Cc1c[nH]c(=O)n(CCN=[N+]=[N-])c1=O 238553352 DYDJXENQMGJLDV-UHFFFAOYSA-N 195.182 0.155 10 10 ACCE N[C@H](CC(=O)O)c1cscc1O 306298767 QDLWGLFWHGJBDE-RXMQYKEDSA-N 187.220 0.928 10 10 ACCE CCOC(=O)/C(=C\[N+](=O)[O-])N=[N+]=[N-] 687750328 HSPIOGITDHKPRP-ONEGZZNKSA-N 186.127 0.978 10 10 ACCE CC1=C=S=C(C)[C-]1C(=O)[C@@H](C)O 885458115 IXHWTYZVYGPVQB-ZCFIWIBFSA-N 183.252 0.797 10 10 ACCE C[C@H]1[C@H](O)CN1c1ccc(CN)cc1 1885906714 GPJDLBJFZOPILV-GZMMTYOYSA-N 192.262 0.715 10 10 ACCE COc1ccc(N2CC(N)C2)cc1F 1955852257 VPIKLKHJVDHJHE-UHFFFAOYSA-N 196.225 0.982 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2CNC[C@@H]2C1 1957243691 GUDJGMYKBNBUER-RKDXNWHRSA-N 195.270 0.838 10 10 ACCE CC(=O)N(CCN=[N+]=[N-])CC(=O)O 2081007070 LXDSLBPOAFRSOU-UHFFFAOYSA-N 186.171 0.230 10 10 ACCE O=S1(=O)CCc2cc(O)ccc2N1 83283061 XVECPWOSLYMGEI-UHFFFAOYSA-N 199.231 0.690 10 10 ACCE COC[C@@H](N)c1cc(O)c(O)c(O)c1 104503054 KRAHGHGDNUQMML-ZCFIWIBFSA-N 199.206 0.450 10 10 ACCE N[C@H](CO)c1cc(O)cs1 238566503 ITOWENIVRPALDY-RXMQYKEDSA-N 159.210 0.446 10 10 ACCE CCCC[C@H](O)[C@@H](O)[C@H](O)C=S 379335558 UPEGGMLFGVOVPS-XLPZGREQSA-N 192.280 0.259 10 10 ACCE NCc1cc(Cl)c(O)c(CN)c1 575602942 WNMVFXZUJKBMJC-UHFFFAOYSA-N 186.642 0.963 10 10 ACCE CCC(=O)C(=O)C(F)F 1879975061 GFKQYBMSIGKXHC-UHFFFAOYSA-N 136.097 0.800 10 10 ACCE Cn1cnc(CN2CC(N=[N+]=[N-])C2)c1 1912157867 ZNDBBIWJBOOBKO-UHFFFAOYSA-N 192.226 0.915 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1CC=CCC1 1929114160 ZDQMMUKNUDOHFR-PSASIEDQSA-N 182.219 0.862 10 10 ACCE O=C(S)Cc1cc(O)nc(O)c1 1952070054 JSRKAQSAPRVFGI-UHFFFAOYSA-N 185.204 0.492 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]1[C@@H]2N 1953752500 UTKSKUXCASJOQD-LYFYHCNISA-N 167.216 0.328 10 10 ACCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1CNC2 1954207498 XCBSBJPXDBPFEB-YUMQZZPRSA-N 181.243 0.733 10 10 ACCE Oc1ccccc1CN=c1[nH]nco1 1956355094 KERACLOQHMSJNG-UHFFFAOYSA-N 191.190 0.809 10 10 ACCE CC(=O)C(=O)CCC(=O)O 34411256 NMKMJASOQCHGAY-UHFFFAOYSA-N 144.126 0.009 10 10 ACCE N[C@@H](CCO)c1ccccc1O 44232071 KBFDSMCCYBBRPC-QMMMGPOBSA-N 167.208 0.774 10 10 ACCE CO[C@@H]1C=C[C@@](CCO)(OC)O1 83290864 NOMWAQKTIGFMOU-JGVFFNPUSA-N 174.196 0.270 10 10 ACCE CCC(=S)C(=O)O 104711734 CKEOTJQQUTUYGO-UHFFFAOYSA-N 118.157 0.851 10 10 ACCE O=CC=S 114268418 GMZLFEZIMUIKJP-UHFFFAOYSA-N 74.104 0.185 10 10 ACCE N[C@@H](CO)c1cc(CF)ccc1O 213183778 ALAOGMVPHMFJDI-QMMMGPOBSA-N 185.198 0.854 10 10 ACCE [N-]=[N+]=NCCN1CCN/C1=C/[N+](=O)[O-] 218143152 KFZGECCHFHUISC-WAYWQWQTSA-N 198.186 0.278 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)[C@H](CO)O1 307308793 XCYCGBQEJRENPW-SRQIZXRXSA-N 173.172 0.155 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@@H](O)[C@H]1N 307458207 BWYBASCGIBNQGH-PBXRRBTRSA-N 156.189 0.537 10 10 ACCE CO[C@](C)(CO)CN=[N+]=[N-] 687756455 OJXSYVBDHLYJNV-YFKPBYRVSA-N 145.162 0.694 10 10 ACCE [N-]=[N+]=NCCCN1CC=C[C@H]1CO 1881716827 WFWUFSDZDFNJKY-QMMMGPOBSA-N 182.227 0.920 10 10 ACCE N#CN1CC[C@@H](N=[N+]=[N-])C1 1912189057 TWDGTTRIBFEUEV-RXMQYKEDSA-N 137.146 0.852 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]2C[C@H]21 1929200160 SZHIUYLPTVLKAL-MRTMQBJTSA-N 182.219 0.696 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1ccc(O)nn1 1951452619 BDDZPSMOGATWBU-YFKPBYRVSA-N 181.155 0.526 10 10 ACCE C[C@@]1(c2c(O)cccc2O)CC(=O)N1 1951863953 TVMQRFLJMIPJNY-JTQLQIEISA-N 193.202 0.833 10 10 ACCE CNNCc1c(O)cccc1OC 1954506641 BUUPLDVDGNGXIX-UHFFFAOYSA-N 182.223 0.625 10 10 ACCE NCCNCc1ccc(O)c(O)c1 28259141 NLJKQNVFTONJNB-UHFFFAOYSA-N 182.223 0.146 10 10 ACCE Cc1c(F)ccc([C@@H](N)CO)c1O 72197539 YRHAHRSAVMZECN-QMMMGPOBSA-N 185.198 0.832 10 10 ACCE NC[C@H](CO)CCc1ccc(N)cc1 107534297 GXYNRPWZEPJLIL-SNVBAGLBSA-N 194.278 0.769 10 10 ACCE C[C@@H](N)c1ccc(N)cc1O 238428976 NRCBGGCYQJDTMY-RXMQYKEDSA-N 152.197 0.994 10 10 ACCE CC(=O)C(=O)[C@@H]1CCN(C)C1 259168576 MIOUBUBEBBMEBT-SSDOTTSWSA-N 155.197 0.096 10 10 ACCE COC(=O)[C@@H](NO)c1ccccc1O 308365066 MNQJKTXXIRIBRU-QMMMGPOBSA-N 197.190 0.585 10 10 ACCE N[C@H]1COCc2cc(O)cc(O)c21 713772326 WFCMAALMBQILKI-ZETCQYMHSA-N 181.191 0.628 10 10 ACCE N[C@@H]1COc2cc(O)c(O)c(O)c21 713785896 WDKBKGJBJQPLJN-GSVOUGTGSA-N 183.163 0.196 10 10 ACCE CCN1C(=O)NC[C@@H]1CN=[N+]=[N-] 721784239 XFGXDWBDYSIQBG-RXMQYKEDSA-N 169.188 0.710 10 10 ACCE NC[C@H](CO)c1cccc(O)c1O 1535736273 KUUGUOIVHYKVND-ZCFIWIBFSA-N 183.207 0.132 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@H]2C[C@@H]21 1929207710 FXTKUMTYBUWRBX-ZKWXMUAHSA-N 168.192 0.306 10 10 ACCE NCCC(=O)c1cc(O)c(O)c(O)c1 1951425500 PAZVAFSZAYLQQO-UHFFFAOYSA-N 197.190 0.335 10 10 ACCE NC1CC(=Cc2cc(O)nc(O)c2)C1 1952373767 GMUGIECGWXBJBQ-UHFFFAOYSA-N 192.218 0.997 10 10 ACCE C[C@H]1CNCCN1CCN=[N+]=[N-] 1953758973 SWDNXKSYLHCLMZ-ZETCQYMHSA-N 169.232 0.590 10 10 ACCE CN[C@H]1CCN(CCN=[N+]=[N-])C1 1953759341 ZESMWWCRYQWMPE-ZETCQYMHSA-N 169.232 0.590 10 10 ACCE CN(CCCCN=[N+]=[N-])C1CNC1 1954207041 PNWCWBSCGFPOGN-UHFFFAOYSA-N 183.259 0.981 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ncccc1C 1955716229 SCZVWOXODGWHLI-JTQLQIEISA-N 193.202 0.582 10 10 ACCE COC(=O)[C@H](O)C(C)(C)N=[N+]=[N-] 140398177 DZKMQTFRAVQVJA-BYPYZUCNSA-N 173.172 0.609 10 10 ACCE CN1CCc2c1ccc(CN)c2O 212771811 FFFWMVBZOBCYPL-UHFFFAOYSA-N 178.235 0.843 10 10 ACCE COC(=O)C1(NCCN=[N+]=[N-])CC1 234542035 UELFCOUCNVCBSS-UHFFFAOYSA-N 184.199 0.592 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H](O)C[C@@H]1O 238695072 MEAISLHXWRBWRJ-JKUQZMGJSA-N 157.173 0.571 10 10 ACCE Nc1ccc(-n2nncc2C=O)cc1 258829421 RSERPMKCIQIHGV-UHFFFAOYSA-N 188.190 0.662 10 10 ACCE COC(=O)[C@H]1O[C@H](CN=[N+]=[N-])[C@H]1F 383681318 BILKUVGSPGBGST-WDCZJNDASA-N 189.146 0.575 10 10 ACCE Cn1cncc1[C@H](CO)N=[N+]=[N-] 1535720211 PLMWVZLRMMVVHH-YFKPBYRVSA-N 167.172 0.764 10 10 ACCE [N-]=[N+]=NC=CC(=O)O 1912165746 OOCLKLFXNXHFAR-UHFFFAOYSA-N 113.076 0.895 10 10 ACCE [N-]=[N+]=NC1CN(C[C@@H](O)CF)C1 1912205835 CLDOPJKDWLIATC-LURJTMIESA-N 174.179 0.311 10 10 ACCE COC[C@@H](N)Cc1ccc(O)c(O)c1 1951524025 KACQIBNCFYHUDI-QMMMGPOBSA-N 197.234 0.614 10 10 ACCE Oc1cc(F)ccc1[C@@H]1NCC[C@@H]1O 1952068629 DMJJWSCBBSSTHH-WPRPVWTQSA-N 197.209 0.927 10 10 ACCE Oc1cc(C2[C@H]3CNC[C@H]23)cc(O)n1 1952863233 SVXQZSCQQHGPSI-BQBZGAKWSA-N 192.218 0.426 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]1[C@@H]2N 1954208486 NUOCAECLGQRMJK-GJMOJQLCSA-N 181.243 0.718 10 10 ACCE C[C@@H](NN)c1cc([N+](=O)[O-])ccc1O 2070174502 BYESEKBJMIGGBO-RXMQYKEDSA-N 197.194 0.825 10 10 ACCE O=Cc1c([N+](=O)[O-])ccc(O)c1O 13730976 NCTNMQLZSVOAKA-UHFFFAOYSA-N 183.119 0.819 10 10 ACCE NCCCNCc1ccc(N)cc1 138822998 SLZROWDFJYSNST-UHFFFAOYSA-N 179.267 0.707 10 10 ACCE [N-]=[N+]=NCC[C@@H]1C[C@H](O)CC(=O)O1 215223617 VBMLVAQQMQCWMI-NTSWFWBYSA-N 185.183 0.753 10 10 ACCE C[C@@H]1C(=O)NN(c2ccccc2)C1=O 217530809 AFCLTCPWSYYALH-SSDOTTSWSA-N 190.202 0.701 10 10 ACCE COC[C@H](N)c1cccc(N)c1O 238365056 VILFEMLVAQGASV-QMMMGPOBSA-N 182.223 0.621 10 10 ACCE Cc1cc([C@@H](N)CO)c(O)cc1F 238513277 ZHGZQMBWPDQLSD-QMMMGPOBSA-N 185.198 0.832 10 10 ACCE C[C@@H]1C[C@@H](O)CN1CCN=[N+]=[N-] 306749534 LSISPIYBMBCYNN-RNFRBKRXSA-N 170.216 0.752 10 10 ACCE COC(CN1CC(N=[N+]=[N-])C1)OC 1912172467 UNWJCLKYIOODQT-UHFFFAOYSA-N 186.215 0.600 10 10 ACCE N[C@@H]1C[C@@H]1Cc1cc(O)c(O)c(O)c1 1952157657 NVHUXPSSCFKBDZ-NKWVEPMBSA-N 195.218 0.693 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]1CN2 1954207090 QMYXOFFMUTXOPS-SFYZADRCSA-N 181.243 0.733 10 10 ACCE CC(C)N[C@H](CN=[N+]=[N-])C(=O)O 85622057 PALCNZWFYVNKAQ-RXMQYKEDSA-N 172.188 0.748 10 10 ACCE Oc1cccc([C@H]2COCCN2)c1O 95692366 FSGRNEUWSBPAGC-MRVPVSSYSA-N 195.218 0.759 10 10 ACCE CN1CCC/C(=C/O)C1=O 95924367 KQJACJVFSLUVRC-WAYWQWQTSA-N 141.170 0.681 10 10 ACCE CN1C2=[N+](CCCS2)C(=O)/C1=C/O 211825103 WRYJDZFDELWEJW-UHFFFAOYSA-O 199.255 0.363 10 10 ACCE [N-]=[N+]=N[C@@H]1CC[C@H]2CC(=O)N[C@@H]21 238633350 PYEKCPKODYJSNC-BFHQHQDPSA-N 166.184 0.964 10 10 ACCE CN(CO)c1ccc2c(c1)OCCO2 259002168 ZAJBTHMHNSNEAZ-UHFFFAOYSA-N 195.218 0.844 10 10 ACCE CO[C@@H]1C=C[C@@](OC)([C@H](C)N)O1 306462002 JWONVFZVUJXXPC-FXQIFTODSA-N 173.212 0.235 10 10 ACCE Cc1ccc(O)c([C@@H](N)[C@@H](O)CO)c1 713801685 VTMFESLFZYAKMY-VHSXEESVSA-N 197.234 0.054 10 10 ACCE Nc1ccc(N[C@H]2CCONC2)cc1 1888921228 LXXYYKMMDZUJSD-JTQLQIEISA-N 193.250 0.974 10 10 ACCE [N-]=[N+]=NCCN1C[C@H](O)CCC1=O 1912143960 MLUJENPCEOMHNK-ZCFIWIBFSA-N 184.199 0.280 10 10 ACCE Oc1cc(F)ccc1[C@@H]1NCC[C@H]1O 1952068627 DMJJWSCBBSSTHH-SCZZXKLOSA-N 197.209 0.927 10 10 ACCE C[C@H](CON)c1cc(O)nc(O)c1 1952559628 LHJUARKVAHGDOZ-RXMQYKEDSA-N 184.195 0.487 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@H]1CN 1953757566 DASINTTYPJWELQ-ZETCQYMHSA-N 169.232 0.720 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@](O)(CN)C1 1957244740 SNESUNYQHBYZAO-QMMMGPOBSA-N 199.258 0.082 10 10 ACCE COCCN(C)CCN=[N+]=[N-] 42460087 QQCJOWRGFPRZLE-UHFFFAOYSA-N 158.205 0.875 10 10 ACCE NC[C@H](N)c1ccc(S)cc1O 72200234 LVPPVPVBZFYEQX-ZETCQYMHSA-N 184.264 0.639 10 10 ACCE CC(=O)[C@H](N)Cc1ccc(O)c(O)c1 74245153 ACFJHIUMDCXDBE-MRVPVSSYSA-N 195.218 0.557 10 10 ACCE COc1cc([N+](=O)[O-])cc(CN)c1O 107720771 HXZPOEUKPRLFLL-UHFFFAOYSA-N 198.178 0.768 10 10 ACCE O=C1C(=O)[C@H]2C=C[C@H]1CC2 197419139 BGFONWVHWNCROZ-WDSKDSINSA-N 136.150 0.721 10 10 ACCE [N-]=[N+]=NCCCNC1(C(=O)O)CC1 236411737 YQTZZLYAZUOARR-UHFFFAOYSA-N 184.199 0.894 10 10 ACCE COC(=O)c1nc2c([nH]1)CCSC2 260293391 MJTSRMOINGVJQF-UHFFFAOYSA-N 198.247 0.986 10 10 ACCE C[C@H]1CC[C@@]1(NCCN=[N+]=[N-])C(N)=O 308536932 MKULXKIVJWBBHH-XPUUQOCRSA-N 197.242 0.540 10 10 ACCE C[C@H](O)[C@H](N)Cc1cccc(O)c1O 1951961902 KVIDNRGNRBRIMX-POYBYMJQSA-N 197.234 0.348 10 10 ACCE C[C@@H]1COCC(=O)N1CCCN=[N+]=[N-] 1957182272 ZNGRPRCJBHTHLA-SSDOTTSWSA-N 198.226 0.934 10 10 ACCE [N-]=[N+]=NC[C@H](O)[C@@H](O)CN=[N+]=[N-] 38810239 PDHWCVRAWIIKPC-IMJSIDKUSA-N 172.148 0.329 10 10 ACCE O=C1CCc2occc2C1=O 148320562 WWMCPZSQJXPNKI-UHFFFAOYSA-N 150.133 0.978 10 10 ACCE [N-]=[N+]=NCc1cnc(N)nc1N 231470072 PPAKLZRHXFYJNY-UHFFFAOYSA-N 165.160 0.451 10 10 ACCE [N-]=[N+]=NCCC(=O)NC[C@@H]1CCCO1 238634128 RQURCUPOUPCHSC-ZETCQYMHSA-N 198.226 0.982 10 10 ACCE [N-]=[N+]=NC[C@H](O)[C@H]1CCCCN1 238681752 NFZXMUGHCKVLKJ-RQJHMYQMSA-N 170.216 0.800 10 10 ACCE Cc1cc([C@H](O)C(=O)O)cc(O)c1O 258203105 YOFFTYISHWRNJV-QMMMGPOBSA-N 198.174 0.524 10 10 ACCE NCC[C@@H](N)c1cccc(O)c1O 307065088 QVDQZAGKTRLTBY-SSDOTTSWSA-N 182.223 0.446 10 10 ACCE Nc1ccc(O[C@H]2CCNC2=O)cc1 606264446 OZQXMGFLXSWXIU-VIFPVBQESA-N 192.218 0.536 10 10 ACCE Cc1ccc(C)c([C@H](N)CN)c1O 72200151 GEWWOKIVKBXTOX-MRVPVSSYSA-N 180.251 0.968 10 10 ACCE NC(=S)COc1ccc(N)cc1 83119174 UHKRILNKAOXIRM-UHFFFAOYSA-N 182.248 0.934 10 10 ACCE [N-]=[N+]=N[C@@H]1COCC[C@@H]1O 159706302 HNVZTLHKKVHLSJ-UHNVWZDZSA-N 143.146 0.447 10 10 ACCE [N-]=[N+]=NCc1ccc2c(c1)B(O)OC2 216197005 DPEXRKAUROUCON-UHFFFAOYSA-N 188.983 0.715 10 10 ACCE CNC[C@H](C)N=[N+]=[N-] 220858782 SMSWYHBOOAUTPJ-BYPYZUCNSA-N 114.152 0.905 10 10 ACCE [N-]=[N+]=NC[C@@H](O)/C=C/[C@H](O)CN=[N+]=[N-] 238707622 QJQPOCQJZIRIRN-ZELZYMQXSA-N 198.186 0.885 10 10 ACCE [N-]=[N+]=NCC1CS(=O)(=O)C1 722964280 KXNOYZLXHAJXIX-UHFFFAOYSA-N 161.186 0.341 10 10 ACCE [N-]=[N+]=NC[C@H](O)C(F)F 1879950637 CFUGRAWOYXZHMJ-REOHCLBHSA-N 137.089 0.923 10 10 ACCE O=C1CC[C@@H](C(=O)C(F)F)C1=O 1932573208 FZKGVUVLMHSCEB-GSVOUGTGSA-N 176.118 0.369 10 10 ACCE CCC(=O)[C@H]1CCC(=O)C1=O 1932574130 VOXXLBFNBWYXTG-RXMQYKEDSA-N 154.165 0.514 10 10 ACCE CN1C[C@H](O)c2cc(O)c(O)cc21 38486229 ADHYBIYGSXQYDM-VIFPVBQESA-N 181.191 0.581 10 10 ACCE in-vitro CNCC(=O)c1ccsc1N 74310915 BJYQZACWWYKAOA-UHFFFAOYSA-N 170.237 0.732 10 10 ACCE NCC(=O)c1ccc(F)c(O)c1O 212048340 BYLLDCTUTXYKJG-UHFFFAOYSA-N 185.154 0.378 10 10 ACCE COC(=O)[C@@H](N=[N+]=[N-])[C@H](O)C(C)C 217589460 AQZAWBBRNNYXPE-NTSWFWBYSA-N 187.199 0.855 10 10 ACCE CO[C@@H]1O[C@@H](CN=[N+]=[N-])C[C@@H]1O 238345838 SGKDNZHDYPIAMA-NGJCXOISSA-N 173.172 0.419 10 10 ACCE O=C1N[C@@H]2c3cc[nH]c3C[C@H]2/C1=C/O 238608570 ZOHVMLBFFGOJGQ-NPXUFPKXSA-N 190.202 0.800 10 10 ACCE C[C@@H](OCCN=[N+]=[N-])C(=O)N(C)C 308115293 WVZKWWKYQDYRKH-ZCFIWIBFSA-N 186.215 0.790 10 10 ACCE CN1CC[C@@H](CN=[N+]=[N-])C1=O 575564348 BEQDNUBMZVGKED-YFKPBYRVSA-N 154.173 0.775 10 10 ACCE Cc1nnc(CN2CC(N=[N+]=[N-])C2)o1 1912194379 KMIFDHVNLIGZSW-UHFFFAOYSA-N 194.198 0.873 10 10 ACCE Oc1ccc(O)c(O)n1 13523790 YXJHZIOEJRCYHK-UHFFFAOYSA-N 127.099 0.198 10 10 ACCE in-vitro C[C@H](N=[N+]=[N-])OCCOCC(=O)O 39125943 YHOKQWYWWQEORC-RXMQYKEDSA-N 189.171 0.761 10 10 ACCE CCCCN(CCN=[N+]=[N-])CC(N)=O 42691922 TWXFNPFQZYACJA-UHFFFAOYSA-N 199.258 0.884 10 10 ACCE NC(=O)C[C@H](N)c1cc(F)ccc1O 44253087 PJNZFTSJZZGPBK-ZETCQYMHSA-N 198.197 0.407 10 10 ACCE Cc1ccc([C@@H](N)C(=O)O)c(O)c1 82110743 CNQIFJBUEMWDBO-MRVPVSSYSA-N 181.191 0.785 10 10 ACCE C[C@](N)(CO)c1cc(N)ccc1O 104673606 GZRDWMWYPXMETJ-VIFPVBQESA-N 182.223 0.141 10 10 ACCE COCC[C@H](N)[C@@H]1CCCC(=O)C1=O 166485704 OMDIUGIHVJEXJB-YUMQZZPRSA-N 199.250 0.289 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](O)C[C@H]1O 169653305 KIDKXTYYWAOMDY-KVTDHHQDSA-N 198.186 0.860 10 10 ACCE O=C1NC(=S)S/C1=C/O 218502169 QHECJUAKDABWOC-OWOJBTEDSA-N 161.207 0.534 10 10 ACCE CO[C@@H]1O[C@H](C)[C@@H](N=[N+]=[N-])C[C@H]1O 306333974 FODXVTFYDICIGB-XZBKPIIZSA-N 187.199 0.808 10 10 ACCE N[C@H]1COCc2c1cc(O)c(O)c2O 713760949 MUWVMHWLXGXVCI-LURJTMIESA-N 197.190 0.333 10 10 ACCE [N-]=[N+]=NC[C@H]1OCCC12CNC2 757213695 UOMQIAMWVDROAM-ZCFIWIBFSA-N 168.200 0.675 10 10 ACCE O=C1C[C@@H](c2cc(O)ccc2O)N1 1951648648 NQHDXUBQNMXZML-ZETCQYMHSA-N 179.175 0.659 10 10 ACCE Oc1ccc([C@H]2OCC[C@@H]2O)cc1O 1952157739 OTCILFBYRNQHPJ-WCBMZHEXSA-N 196.202 0.920 10 10 ACCE CNNCc1ccccc1O 1953257137 QPYHXHJYKGULMQ-UHFFFAOYSA-N 152.197 0.616 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2CNC[C@@H]2C1 1954206862 MYEFQTJNLPKHKU-HTQZYQBOSA-N 181.243 0.448 10 10 ACCE O=[N+]([O-])c1ccc(O)c(O)c1O 2531057 FPYOMUFYEZASGS-UHFFFAOYSA-N 171.108 0.712 10 10 ACCE NC[C@H]1OC(=O)c2c1ccc(O)c2O 33875200 RGWSWZYAXVZYJT-ZCFIWIBFSA-N 195.174 0.268 10 10 ACCE Cc1cc(O)c([C@@H](O)CN)s1 106083004 POTIKLZGHOSCOE-LURJTMIESA-N 173.237 0.754 10 10 ACCE COC(=O)[C@@H](N=[N+]=[N-])C(C)=O 196706706 XPSVIOHYFOCXFE-BYPYZUCNSA-N 157.129 0.427 10 10 ACCE [N-]=[N+]=N[C@H]1CCCO[C@@H]1CO 238657500 ZWQQURSXOUHYCR-NTSWFWBYSA-N 157.173 0.837 10 10 ACCE [N-]=[N+]=N[C@@]1(CO)CC[C@H]2OC[C@H]1O2 306447951 GTSYBGARZHXEGE-DSYKOEDSSA-N 185.183 0.563 10 10 ACCE C[C@H]1C[C@@H](O)CN(CCN=[N+]=[N-])C1 306976745 DLGWYDHIPAOCSW-JGVFFNPUSA-N 184.243 0.999 10 10 ACCE C[C@@H](C(=O)O)S(=O)(=O)N=[N+]=[N-] 307308981 DNTHBEDGSGLUSI-REOHCLBHSA-N 179.157 0.100 10 10 ACCE CCOc1cccc(CNN)c1O 379336075 YWAIAXHZZZSJLQ-UHFFFAOYSA-N 182.223 0.754 10 10 ACCE CC(=O)C(=O)[C@@]1(O)[C@H]2[C@H]3C[C@@H]1C[C@H]32 1883089609 KFKLNJBJZZYULD-BFYXEUSTSA-N 180.203 0.161 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@]1(C)CCCCN1 1890809695 CYIPBCOPRNDDIY-NXEZZACHSA-N 199.250 0.038 10 10 ACCE COC(=O)C[C@@H](C)N1CC(N=[N+]=[N-])C1 1912145298 FQUYVCJKYNKEFR-ZCFIWIBFSA-N 198.226 0.933 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@]1(C)CC1(C)C 1929227633 LKRUSZUYWPSPMA-WCBMZHEXSA-N 184.235 0.942 10 10 ACCE Cn1ccc(C=C[N+](=O)[O-])cc1=O 2294754136 UHQLCTPBBVCWAX-UHFFFAOYSA-N 180.163 0.633 10 10 ACCE Cc1ncc(S(=O)(=O)N=[N+]=[N-])[nH]1 69949576 FEXBPJUIOIFKIB-UHFFFAOYSA-N 187.184 0.717 10 10 ACCE COc1cc(C)cc(O)c1[C@H](N)CO 72197826 BOLKXRXKTPLQPH-SSDOTTSWSA-N 197.234 0.701 10 10 ACCE Cc1cc(O)c([C@@H](N)CN)cc1C 72200146 IKDLIPLTWQJTOS-VIFPVBQESA-N 180.251 0.968 10 10 ACCE CCCN1C(=O)C[C@H](N=[N+]=[N-])C1=O 100168190 VYXPPHCBLWFZBI-YFKPBYRVSA-N 182.183 0.834 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](CO)C[C@@H]1O 214616979 RSIWMGCBAWDFKX-JKUQZMGJSA-N 157.173 0.429 10 10 ACCE [N-]=[N+]=N[C@@H]1CCOC[C@@H]1N 218394437 FDCYPHLZIOZKQV-CRCLSJGQSA-N 142.162 0.413 10 10 ACCE [N-]=[N+]=NCCCn1ccnn1 699051345 SKUASEPJVAZIQA-UHFFFAOYSA-N 152.161 0.979 10 10 ACCE [N-]=[N+]=NC[C@H](N)CCCCO 706527864 YCQIGHOENZEHGH-ZCFIWIBFSA-N 158.205 0.787 10 10 ACCE CC(C)(N)c1c(O)cc(O)cc1O 1535670728 HVNTXGFGMORZSJ-UHFFFAOYSA-N 183.207 0.997 10 10 ACCE Cn1ccnc1CN1CC(N=[N+]=[N-])C1 1912162215 TVAWWGPMVCKSOA-UHFFFAOYSA-N 192.226 0.915 10 10 ACCE O=C1CCN[C@@H]1c1c(O)cccc1O 1951863418 NUOKMAWQGKTKNB-JTQLQIEISA-N 193.202 0.701 10 10 ACCE N[C@@H]1C[C@H]1Cc1ccc(O)c(O)c1 1951871425 YFJNROBCIRAAPD-HTQZYQBOSA-N 179.219 0.988 10 10 ACCE CC[C@H](OC)C(=O)C(C)=O 1952300261 HHHCGWCLXSPMSK-LURJTMIESA-N 144.170 0.570 10 10 ACCE [N-]=[N+]=NC[C@H](O)CN1CCCCC1=O 1956756358 RYADELQVKNYVME-ZETCQYMHSA-N 198.226 0.670 10 10 ACCE [N-]=[N+]=N[C@H]1CC[C@H](O)OC1 90366879 FQKGIVJXKIJYOA-CRCLSJGQSA-N 143.146 0.794 10 10 ACCE O=C1C(=O)[C@H]2O[C@@H]2c2ccccc21 217350013 BBYOKQZQRLRUFE-NXEZZACHSA-N 174.155 0.892 10 10 ACCE OCc1cccc(O)c1[C@H]1CCN1 238727206 NCIASEOHUSZYLM-MRVPVSSYSA-N 179.219 0.919 10 10 ACCE [N-]=[N+]=NC[C@H](O)c1ccncn1 306665885 UORLYMPGOWIQMN-LURJTMIESA-N 165.156 0.820 10 10 ACCE COc1cc(CON)cc(O)c1O 1535812711 RPJGYNJNSUVACP-UHFFFAOYSA-N 185.179 0.497 10 10 ACCE CC(=O)[C@@H](N)c1cccc(O)c1O 1951964678 VIMKBTLZKFBBAE-MRVPVSSYSA-N 181.191 0.687 10 10 ACCE C[C@H](O)Cc1cc(O)nc(O)c1 1952061900 WYQJFCIEAGYYJB-YFKPBYRVSA-N 169.180 0.416 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H](C[C@@H]2O)C1 1956044593 HGRQQXSORQNKKU-VGMNWLOBSA-N 196.254 0.999 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@]2(CCNC2)C1 1957249549 KXEVFWCEVONCKY-SECBINFHSA-N 195.270 0.982 10 10 ACCE COc1cc(N)c(O)c(O)c1 2055136890 QNPYRFMMGWUCNB-UHFFFAOYSA-N 155.153 0.689 10 10 ACCE COc1cc(O)c(O)cc1C=O 114549796 ZAGOWEBSDYGKSQ-UHFFFAOYSA-N 168.148 0.919 10 10 ACCE COc1cc(O)c(O)c(O)c1OC 141808353 ZPWGLQLUZCIZLI-UHFFFAOYSA-N 186.163 0.821 10 10 ACCE N=C(N)Cc1cccc(O)c1O 146820634 GJFZOSVABHUGNP-UHFFFAOYSA-N 166.180 0.576 10 10 ACCE CC(=O)[C@@]1(N=[N+]=[N-])CCOC1=O 238185134 LENGRNMQVRNHEE-LURJTMIESA-N 169.140 0.571 10 10 ACCE CONCc1c(F)ccc(O)c1O 258059313 LHNAQNQKUQEIQF-UHFFFAOYSA-N 187.170 0.888 10 10 ACCE C[C@@H](NC(=N)NN)c1ccccc1O 1889483165 NOOZUKPJSWRZSJ-ZCFIWIBFSA-N 194.238 0.441 10 10 ACCE COC(=O)NC1CN(CCN=[N+]=[N-])C1 1893456457 UTRNYAMGDXTLOE-UHFFFAOYSA-N 199.214 0.337 10 10 ACCE N[C@H]1C[C@H]1c1cc(O)c(O)c(O)c1 1951322993 GQAUMAVMYRJZOL-WDSKDSINSA-N 181.191 0.618 10 10 ACCE [N-]=[N+]=NCCN1CCC[C@@H]1CN 1953757565 DASINTTYPJWELQ-SSDOTTSWSA-N 169.232 0.720 10 10 ACCE [N-]=[N+]=NCCN1CCCC[C@@H]1C(N)=O 42406246 ZGQRHRYFRDOBDU-SSDOTTSWSA-N 197.242 0.637 10 10 ACCE O=[N+]([O-])c1cc(O)c(O)cc1CO 44198615 SZVVVZUYJUSZDS-UHFFFAOYSA-N 185.135 0.498 10 10 ACCE O=C1OCCC/C1=C\O 137750941 YLQDXCAHIIESME-SNAWJCMRSA-N 128.127 0.765 10 10 ACCE CO[C@H]1CCC(=O)C(=O)C1 230554218 VTTPIIYKGSAHJS-YFKPBYRVSA-N 142.154 0.324 10 10 ACCE C[C@]1(O)CCOC[C@H]1N=[N+]=[N-] 238489797 XJWWSSVCVMBRSI-RITPCOANSA-N 157.173 0.837 10 10 ACCE Nc1ccccc1N[C@@H]1COC[C@H]1O 306217343 MKUQBKRPVKDUEA-NXEZZACHSA-N 194.234 0.440 10 10 ACCE Cn1ccc(C(=O)C=[N+]=[N-])c1 306776286 YKWVMVUMLDZZMG-UHFFFAOYSA-N 149.153 0.508 10 10 ACCE [N-]=[N+]=NCCCN1CCCOCC1=O 688117295 YTFNEWMFGGNLJB-UHFFFAOYSA-N 198.226 0.936 10 10 ACCE CNCCc1cc(O)c(O)c(OC)c1 1535813869 IMNHSQPRLWZUGS-UHFFFAOYSA-N 197.234 0.868 10 10 ACCE COC(=O)[C@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912207767 NLXSAAXMLCMHLG-NKWVEPMBSA-N 198.226 0.933 10 10 ACCE C[C@@H](CN)c1cc(O)nc(O)c1 1952183065 GCZKUKBUNLWHFZ-YFKPBYRVSA-N 168.196 0.555 10 10 ACCE CN(CCN=[N+]=[N-])[C@@H]1CC[C@@H]1N 1953751103 GRHAUKROBWCUQP-NKWVEPMBSA-N 169.232 0.718 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])CCN1 1953757555 CXJAAYXQDQVQPJ-ZETCQYMHSA-N 169.232 0.590 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1CN 1954207073 QEVNWJZBTPMJKE-HTQZYQBOSA-N 183.259 0.823 10 10 ACCE N=C(N)Cc1ccc(O)c(O)c1 6091848 BUWZJWAQZANSHV-UHFFFAOYSA-N 166.180 0.576 10 10 ACCE CCc1nnnn1-c1ccc(N)cc1 35221576 WWQMGFRFWIJWSB-UHFFFAOYSA-N 189.222 0.807 10 10 ACCE [N-]=[N+]=N[C@H]1C=C[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O 36420344 VYVHFQKYMBMIKC-UNTFVMJOSA-N 196.170 0.636 10 10 ACCE Cn1ccc2oc(C(=O)CN)cc21 82870209 PPEUAZVQHVOVGA-UHFFFAOYSA-N 178.191 0.913 10 10 ACCE NCc1cc2c(cc1O)OCCO2 84250510 QDOLIZAOGIJMIA-UHFFFAOYSA-N 181.191 0.622 10 10 ACCE COC(=O)[C@@H](N)c1cc(C)ccc1O 95639338 KDYAJTVHAXLRTA-VIFPVBQESA-N 195.218 0.873 10 10 ACCE Cc1cc(N2CC(O)C2)ccc1CN 307501813 ITBRENYXFUQEIX-UHFFFAOYSA-N 192.262 0.635 10 10 ACCE COC(=O)C[C@@H]1CC[C@H](N=[N+]=[N-])[C@H]1O 308373492 SBKCCBMMEARFHM-HAFWLYHUSA-N 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10 ACCE CC1(C)O[C@H]2[C@@H](N=[N+]=[N-])C[C@@H](O)[C@H]2O1 307412147 SFOBRJXNXTVDTL-BNHYGAARSA-N 199.210 0.950 10 10 ACCE CC[N+]1=C=C(CNN=N)N=N1 885240033 WGZHSFYPHYGVAK-UHFFFAOYSA-N 153.169 0.489 10 10 ACCE CN(CCN=[N+]=[N-])C[C@H]1C[C@H](O)C1 1884169958 ISDQUQNJUWYBQI-ZKCHVHJHSA-N 184.243 0.999 10 10 ACCE NCC1(Nc2ccc(N)cc2)COC1 1888914896 KJUMTBGLBZWQJF-UHFFFAOYSA-N 193.250 0.408 10 10 ACCE O=C1CC[C@H](c2cc(O)nc(O)c2)O1 1952462169 DPFIVZBBGGLBLN-ZCFIWIBFSA-N 195.174 0.871 10 10 ACCE N[C@H]1C[C@@H](c2cc(O)nc(O)c2)C1 1952994312 ZJDWZCQHEWLFOW-IAQIWYKVSA-N 180.207 0.698 10 10 ACCE [N-]=[N+]=NCCN1CCNCC12CC2 1954207744 BDTBUKXPAGILJA-UHFFFAOYSA-N 181.243 0.735 10 10 ACCE [N-]=[N+]=C1C=CC(S(=O)(=O)O)=CC1 117530167 ANXAQMXRKRBQPZ-UHFFFAOYSA-N 186.192 0.389 10 10 ACCE C[C@@H](C/N=N/C[C@H](C)C(=N)N)C(=N)N 135696878 UROBIWCNNCSPEE-DHJGORIMSA-N 198.274 0.583 10 10 ACCE CN[C@@H](O)Cc1ccc(O)c(O)c1 145034152 WFFYXJLIRDZQSN-VIFPVBQESA-N 183.207 0.178 10 10 ACCE C[C@](N)(C(=O)O)c1cc(O)ccc1O 205020532 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[N-]=[N+]=NC[C@H](NCC1CC1)C(=O)O 85622243 QKTWMDRNTVBQOO-LURJTMIESA-N 184.199 0.750 10 10 ACCE COC(=O)/N=N/[C@@H](C)N 104632566 SPNNXDNOUGTLEV-DEGVGHJYSA-N 131.135 0.510 10 10 ACCE COC(=O)/N=N/C(C)=C\C(N)=O 138053172 TYSZDPMOXHZRKO-VHPFQHCPSA-N 171.156 0.594 10 10 ACCE C[C@H](N=[N+]=[N-])[N+](=O)[O-] 196001585 QFEUVXCVGWDOTO-UWTATZPHSA-N 116.080 0.919 10 10 ACCE CC1(C)C(=O)C(=O)C[C@@H]1C(=O)O 238201034 PWOGUQCNZXBARA-SCSAIBSYSA-N 170.164 0.255 10 10 ACCE O=C1C(=O)[C@H]2C3CC4[C@H]([C@@H]13)[C@@H]42 306373801 JSPDIVCEFSEWHP-YMUWDLGVSA-N 148.161 0.266 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H]2OC[C@H]1[C@H]2CO 306482264 IMWBLGGSGHSQLP-XZBKPIIZSA-N 169.184 0.693 10 10 ACCE O=C(O)[C@H]1CCCN(/[N+]([O-])=N/O)C1 306651471 SKRPIVPXYYUWNW-BKXSJQSLSA-N 189.171 0.050 10 10 ACCE [N-]=[N+]=N[C@H]1[C@H]2CSC[C@@H](O2)[C@@H]1O 307651723 MKMXKSVYRUDUSZ-ZXXMMSQZSA-N 187.224 0.540 10 10 ACCE Nc1ccc2c(c1O)[C@@H](N)COC2 713769907 LNQIFGZIMDPFPM-ZETCQYMHSA-N 180.207 0.504 10 10 ACCE [N-]=[N+]=NC[C@@H]1C[C@H]2OCC[C@@H]2N1 1912173444 MSPYGMLYRWBTME-LYFYHCNISA-N 168.200 0.816 10 10 ACCE CCC[C@@H](C)[C@H](O)C(=O)C(C)=O 1929133828 HNSVSXJXYGOXFJ-SVRRBLITSA-N 172.224 0.942 10 10 ACCE NCCc1ccc(O)c(O)c1O 3650255 WYYIHCWISNZQQY-UHFFFAOYSA-N 169.180 0.305 10 10 ACCE in-vitro Nc1ccc(NC[C@H](O)CO)cc1 34380813 XMROXKQCNKMNBG-VIFPVBQESA-N 182.223 0.034 10 10 ACCE N[C@@H](CO)c1cc2[nH]ccc2cc1O 72197680 WSXSSBHVJXJFFE-QMMMGPOBSA-N 192.218 0.866 10 10 ACCE [N-]=[N+]=NCCNC(=O)N[C@@H]1CCOC1 87314340 COGYNTUKCVWPEF-ZCFIWIBFSA-N 199.214 0.385 10 10 ACCE COC[C@@H](N=[N+]=[N-])C(=O)O 202145651 JHCIQIBTDIBOKB-GSVOUGTGSA-N 145.118 0.396 10 10 ACCE C/C=C/[C@@H]1NC(=O)[C@@H]1N=[N+]=[N-] 238042855 LJTVVPWYNMFRSY-CSCGYKLNSA-N 152.157 0.740 10 10 ACCE [N-]=[N+]=N[C@@H]1CO[C@H](CO)C1 238658755 YTANMEFBCLQUGM-WHFBIAKZSA-N 143.146 0.447 10 10 ACCE C[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H]2O[C@@H]12 306248486 UTTJHCZWJOMNEQ-FSIIMWSLSA-N 155.157 0.851 10 10 ACCE Oc1cccc(F)c1[C@@H]1NCC[C@@H]1O 1952063299 ASXQUBJHKRNGBE-WCBMZHEXSA-N 197.209 0.927 10 10 ACCE COC[C@@H]1CNCCN1CCN=[N+]=[N-] 1957242438 ACEYRHXTNFASFK-QMMMGPOBSA-N 199.258 0.217 10 10 ACCE Nc1ccc(NCc2nc[nH]n2)cc1 70645930 FJIBWOGTFWCEFW-UHFFFAOYSA-N 189.222 0.999 10 10 ACCE OC[C@@H]1NCCc2c1ccc(O)c2O 75793845 UNOVSOXUKXVRRW-QMMMGPOBSA-N 195.218 0.277 10 10 ACCE O=C1NC[C@@H](c2cc(F)ccc2O)N1 95690447 KQKOJXRZDMIUSA-ZETCQYMHSA-N 196.181 0.885 10 10 ACCE COC(CO)(CN=[N+]=[N-])OC 196917646 VXTLMCBSLXKNMJ-UHFFFAOYSA-N 161.161 0.278 10 10 ACCE [N-]=[N+]=N[C@H]1[C@H]2CN3CC[C@@H](O2)[C@@H]13 207241133 DBHRKAFVWRKTKR-JWXFUTCRSA-N 166.184 0.521 10 10 ACCE COC(=O)C[C@@](C)(O)CN=[N+]=[N-] 238350936 AANMVOHTPBWMDN-ZCFIWIBFSA-N 173.172 0.611 10 10 ACCE CO[C@@]1(C)O[C@@H](O)C=C1C 238380815 CHTKEPNAVQILCA-RQJHMYQMSA-N 144.170 0.644 10 10 ACCE COc1cc(CO)cc([C@H](C)N)c1O 238408582 SRHRYGCVOAGOMK-LURJTMIESA-N 197.234 0.913 10 10 ACCE C[C@@]1([C@](C)(O)CN=[N+]=[N-])CO1 238467033 NPWVHVTXOHSFKK-RITPCOANSA-N 157.173 0.837 10 10 ACCE [N-]=[N+]=N[C@@H]1CN[C@H](CO)C1 238658717 NOFLYLZZSIWJIZ-WHFBIAKZSA-N 142.162 0.020 10 10 ACCE CONCc1cc([N+](=O)[O-])ccc1O 258059173 LEOLQCCZZKBTLD-UHFFFAOYSA-N 198.178 0.951 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@]1(C)CC1(C)C 1929227631 LKRUSZUYWPSPMA-PSASIEDQSA-N 184.235 0.942 10 10 ACCE C[C@@H](ON)c1cc(O)c(O)c(O)c1 1951988492 APYHSIPHHHWILV-SCSAIBSYSA-N 185.179 0.755 10 10 ACCE O=C1CC[C@@H](c2cc(O)nc(O)c2)O1 1952462168 DPFIVZBBGGLBLN-LURJTMIESA-N 195.174 0.871 10 10 ACCE CC(=O)N(C)[C@@H](CN=[N+]=[N-])C(=O)O 85622368 QSCYJNUNNRJFCZ-YFKPBYRVSA-N 186.171 0.228 10 10 ACCE CO[C@]1(C)C=C[C@@](CO)(OC)O1 196216678 XVCQEILVGMOAAT-JGVFFNPUSA-N 174.196 0.270 10 10 ACCE O=C1CN[C@@H](c2cccc(F)c2O)N1 306965999 FHFJRSNYMNDUTJ-SECBINFHSA-N 196.181 0.249 10 10 ACCE [N-]=[N+]=NS(=O)(=O)CCCC(=O)O 308105617 HREGTJAKCOVYTD-UHFFFAOYSA-N 193.184 0.491 10 10 ACCE CC1=NN(C)C(=O)/C1=C(\C)O 382636818 PPMKUACVHJLXLJ-AATRIKPKSA-N 154.169 0.666 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1CNC[C@@H]1F 1892493441 NSHAIUPUUXZENO-BQBZGAKWSA-N 187.222 0.538 10 10 ACCE CN(C)C[C@H](NN)c1ccccc1O 1928481129 RLJBKFQPQVQWAJ-VIFPVBQESA-N 195.266 0.458 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@@H]1CN 1953751460 LMMBRAPYBHXRQZ-SSDOTTSWSA-N 169.232 0.720 10 10 ACCE NC[C@H](N)c1ccccc1O 59157222 CZNXCYVFIHHKSZ-ZETCQYMHSA-N 152.197 0.351 10 10 ACCE Nc1cc(N)c(O)c(O)c1 104566231 BUEVWAFZUBVVQZ-UHFFFAOYSA-N 140.142 0.262 10 10 ACCE CC(C)[C@H](O)[C@H](N=[N+]=[N-])C(=O)O 238218788 RGNQLRXQITUMIN-WHFBIAKZSA-N 173.172 0.767 10 10 ACCE O=C1N[C@@H]2c3conc3C[C@H]2/C1=C/O 238609422 QEBZQZHGGZKYEO-CIYVRLOFSA-N 192.174 0.460 10 10 ACCE Oc1ccccc1CNC[C@H](O)CF 395199429 LSGJHYFRRQSAFD-SECBINFHSA-N 199.225 0.812 10 10 ACCE COC[C@@H](N)[C@@H](N)c1ccccc1O 396824786 KDRNUFICRFUNGX-SCZZXKLOSA-N 196.250 0.366 10 10 ACCE CN(C=O)CCN=[N+]=[N-] 885222499 ARBHXDCODHWZQS-UHFFFAOYSA-N 128.135 0.385 10 10 ACCE CC[C@@H]1C[C@@H]1[C@H](O)C(=O)C(C)=O 1881488877 AOIPISNTRYRPSE-FJXKBIBVSA-N 170.208 0.552 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1cc(C)ns1 1929176098 YWUVDBCKMWYRCE-QMMMGPOBSA-N 199.231 0.643 10 10 ACCE NNCc1ccc(F)cc1O 1951381374 LXHAOARACPGJMT-UHFFFAOYSA-N 156.160 0.495 10 10 ACCE CC(=O)C(=O)c1cnc2cnccn12 1952215199 WDJSMBNVDQNTFL-UHFFFAOYSA-N 189.174 0.501 10 10 ACCE CON(CCN=[N+]=[N-])C1CCNCC1 1957243860 IQRVZKWAWWYOEB-UHFFFAOYSA-N 199.258 0.912 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H](C1)[C@H]2O 2241833957 SSEUZLIFRNWVQD-RNLVFQAGSA-N 182.227 0.609 10 10 ACCE S=C(c1ncc[nH]1)c1ncc[nH]1 14989399 SIISYXWWQBUDOP-UHFFFAOYSA-N 178.220 0.899 10 10 ACCE O=C1C[C@H](c2ccc(O)c(O)c2)N1 44256642 UAOCAEHSLNJFFJ-ZCFIWIBFSA-N 179.175 0.659 10 10 ACCE CC(C)C[C@H](NCCN=[N+]=[N-])C(N)=O 85224301 LZTAIWJIOVIZQN-ZETCQYMHSA-N 199.258 0.786 10 10 ACCE CN(C)c1cccc(O)c1CN 95723782 NFNVWLVUJCNBGG-UHFFFAOYSA-N 166.224 0.917 10 10 ACCE COC(=O)C1(NCCCN=[N+]=[N-])CC1 234541670 PUIFCCVETVYBBD-UHFFFAOYSA-N 198.226 0.982 10 10 ACCE COC(=O)[C@@H]1OCC[C@H]1N=[N+]=[N-] 238356358 ZGOQCYRVNURPNS-RFZPGFLSSA-N 171.156 0.627 10 10 ACCE O=C1C[C@H](O)[C@H](c2ccccc2O)N1 257871310 SZPIDOSPYAKDBJ-WPRPVWTQSA-N 193.202 0.314 10 10 ACCE [N-]=[N+]=N[C@H]1CC[C@@H](O)[C@H](O)C1 306902175 PSMXUSJCJZFWPJ-KVQBGUIXSA-N 157.173 0.571 10 10 ACCE CO[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])[C@H](C)O1 307418287 PNNUMSVTKFYARO-BNHYGAARSA-N 187.199 0.808 10 10 ACCE CN[C@@H]1CCN(C)[C@H]1CN=[N+]=[N-] 642822461 BRSWEYULZFWOIC-RQJHMYQMSA-N 169.232 0.589 10 10 ACCE [N-]=[N+]=N[C@@H]1COC[C@H]1N 698857863 CQNGRFQRCRGHCI-QWWZWVQMSA-N 128.135 0.023 10 10 ACCE COCCN1CC[C@H](N)[C@H]1CN=[N+]=[N-] 711937249 VZDDAJRYCOSKAE-JGVFFNPUSA-N 199.258 0.345 10 10 ACCE CC(=O)[C@H](O)Cc1cccc(O)c1O 1952070665 MLOCJTYLXRVTFV-SECBINFHSA-N 196.202 0.590 10 10 ACCE [N-]=[N+]=NCCCN1CC(F)(CO)C1 1954084640 LVBHSMFXYRGPBL-UHFFFAOYSA-N 188.206 0.703 10 10 ACCE C[C@H](CO)C(=O)N1CC(N=[N+]=[N-])C1 2241250623 FDWYRXJETAPGBL-RXMQYKEDSA-N 184.199 0.136 10 10 ACCE CN1CCc2cc(CNN)ccc21 50287716 VACLKDOAADSWTG-UHFFFAOYSA-N 177.251 0.642 10 10 ACCE [N-]=[N+]=NCCn1ncccc1=O 61404340 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130.118 0.647 10 10 ACCE O=[N+]([O-])c1cc(O)c(O)cc1O 21303639 OXNDPOQEDXDTRR-UHFFFAOYSA-N 171.108 0.712 10 10 ACCE CC(=O)C(=O)c1ccncc1 77260570 QKSLDSBUXIEAHU-UHFFFAOYSA-N 149.149 0.853 10 10 ACCE CCO/C(O)=C1/SC(N)=NC1=O 106119773 JXKQSIGTOYQSCH-HWKANZROSA-N 188.208 0.338 10 10 ACCE Oc1ccc(F)c(O)c1O 137396962 GDHWGEZMWNAJJH-UHFFFAOYSA-N 144.101 0.943 10 10 ACCE [N-]=[N+]=NC[C@@H]1O[C@H](O)CC[C@H]1O 206404708 XZHPCYWSZJLZNS-SRQIZXRXSA-N 173.172 0.155 10 10 ACCE NC(=S)Nc1ccc(O)c(O)c1 238579136 XTOZQMLHMIBJHV-UHFFFAOYSA-N 184.220 0.753 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1O 238705054 YFJQYYCAZIMQBK-LECHCGJUSA-N 141.130 0.197 10 10 ACCE CN1CCC[C@H](C(=O)C=[N+]=[N-])C1 259642462 GTBBCIIQXYRSCG-ZETCQYMHSA-N 167.212 0.198 10 10 ACCE CCOC(=O)c1cc(N)cc(O)c1O 260991395 QELQYCCMLJUBGZ-UHFFFAOYSA-N 197.190 0.857 10 10 ACCE OC[C@H]1C[C@@H]1NCc1ccccc1O 379625500 JRTYRLLZVMMCLN-ZJUUUORDSA-N 193.246 0.863 10 10 ACCE CO[C@@H](C(C)C)[C@H](O)C(=O)C(C)=O 1929232498 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180.251 0.954 10 10 ACCE CO[C@H](C)[C@@H]1O[C@@H](O)C[C@H]1N=[N+]=[N-] 306169638 GWPOOYQQINBXNF-GBNDHIKLSA-N 187.199 0.808 10 10 ACCE CCNC(=O)N=NC(=O)NCC 307912276 KJYBTEVAAPVTEM-UHFFFAOYSA-N 172.188 0.898 10 10 ACCE CCN1CCC(=O)[C@H]1CN=[N+]=[N-] 712049592 IBLDHRKQHSPHFC-ZCFIWIBFSA-N 168.200 0.960 10 10 ACCE Nc1ccc(N2C[C@H]3C(N)[C@@H]3C2)cc1 1888898613 OGFHGHNBJFRFRW-NXEZZACHSA-N 189.262 0.662 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)CC1CC1 1929166660 ACIFJYTUXKVYFB-VIFPVBQESA-N 170.208 0.696 10 10 ACCE Oc1cccc([C@H]2C[C@H](O)CN2)c1O 1952081238 LQCYPQQDQBXRJR-POYBYMJQSA-N 195.218 0.493 10 10 ACCE Nc1ccc(CN2C[C@H](O)CO2)cc1 1956953312 TXCQVNRCQUDEKD-JTQLQIEISA-N 194.234 0.377 10 10 ACCE CN(CCCN=[N+]=[N-])[C@@H]1[C@@H]2CNC[C@@H]21 1957243989 KSLULTQCIOKOKI-AYMMMOKOSA-N 195.270 0.836 10 10 ACCE COC(=O)COCc1ccc(N)cc1 19967271 RZOBRVWFUOVOSG-UHFFFAOYSA-N 195.218 0.958 10 10 ACCE C[C@H](O)CNCc1cccc(O)c1O 41049416 UCPRZNOLWVBWJX-ZETCQYMHSA-N 197.234 0.568 10 10 ACCE CNC(=O)NC(=O)CCN=[N+]=[N-] 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CC(=O)C(=O)[C@]1(O)CC[C@H]2CC[C@H]1O2 1929241395 PYIUVECTFIEMFA-MRTMQBJTSA-N 198.218 0.217 10 10 ACCE Nc1ccc(CNC2(CO)CC2)cc1 1929710116 BBSNJZNYTROGIM-UHFFFAOYSA-N 192.262 0.883 10 10 ACCE CON(CCCN=[N+]=[N-])C1CNC1 1954208872 UXFKLULUFMHUBH-UHFFFAOYSA-N 185.231 0.522 10 10 ACCE [N-]=[N+]=NCCCN1CCOC[C@H]1CN 1957249352 JMMDFKPVAFNHEK-MRVPVSSYSA-N 199.258 0.346 10 10 ACCE CCOC(=O)c1ccc(O)c(O)c1O 33861556 VLQVUMOCVOTYDO-UHFFFAOYSA-N 198.174 0.980 10 10 ACCE N[C@H](CO)c1c(O)ccc2c1CCC2 108303042 HLEWEZMHQJLYES-SECBINFHSA-N 193.246 0.873 10 10 ACCE [N-]=[N+]=NC[C@@H]1OCC[C@H]1O 140167637 JWCMLHUFLIFATF-UHNVWZDZSA-N 143.146 0.447 10 10 ACCE COC[C@@H](N)c1c(O)cc(O)cc1O 238375602 FQZUJXQFVDSMRG-ZCFIWIBFSA-N 199.206 0.450 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@@H](N)C(=O)O 238409421 VFSRYBKOKKWXQW-PWNYCUMCSA-N 144.134 0.097 10 10 ACCE N[C@H](C(=O)O)c1cc(O)cs1 238647708 WDXUZRYVBSHANJ-YFKPBYRVSA-N 173.193 0.538 10 10 ACCE C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)C(=O)C1=O 238804261 JOJXHNRMPSKBOB-FSDSQADBSA-N 198.218 0.891 10 10 ACCE CN(C)Cc1ccc(O)c(CN)c1 257831055 JKMMTKJDSAFSCU-UHFFFAOYSA-N 180.251 0.913 10 10 ACCE CC(=O)C(=O)[C@H]1CCN(C)C1 259168581 MIOUBUBEBBMEBT-ZETCQYMHSA-N 155.197 0.096 10 10 ACCE [N-]=[N+]=NCc1ccc(C(N)=O)cn1 307158045 AHTLZTWEBGNWLF-UHFFFAOYSA-N 177.167 0.991 10 10 ACCE CC/C(=C/C(=O)OC)N=NC(N)=O 308020118 RUBYVQKTPFLQID-LRGJRNGESA-N 185.183 0.984 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@H]1C1CC1 1883172851 YRFWDEJJYHWDBB-WPRPVWTQSA-N 182.219 0.696 10 10 ACCE CN(C)CCC(=O)N1CC(N=[N+]=[N-])C1 1912183401 OUTNIECMMOEMAE-UHFFFAOYSA-N 197.242 0.459 10 10 ACCE C[C@H](O)CCN1CC(N=[N+]=[N-])C1 1912190341 CEEAJKKPFMHHGK-LURJTMIESA-N 170.216 0.752 10 10 ACCE N[C@H]1CO[C@H](c2ccc(O)c(O)c2)C1 1952214677 RKRMHPGYXAVFGT-XCBNKYQSSA-N 195.218 0.887 10 10 ACCE C/C=C1\SC(N)=NC1=O 39134871 RVPFILGORFXRNA-IHWYPQMZSA-N 142.183 0.478 10 10 ACCE CN(C)c1ccc(O)c(CN)c1 95724379 PLNARIWYVJMLFV-UHFFFAOYSA-N 166.224 0.917 10 10 ACCE CO[C@@H](C(=O)O)c1ccc(O)c(O)c1 107188362 PHSUNCSDXBCYEH-MRVPVSSYSA-N 198.174 0.870 10 10 ACCE NCC(=O)Oc1ccc(N)cc1 142397976 RJMZURMQHXPYTA-UHFFFAOYSA-N 166.180 0.133 10 10 ACCE [N-]=[N+]=N[C@H]1CCNC[C@@H]1O 164829633 FCZKPEQZWDFLAK-WHFBIAKZSA-N 142.162 0.020 10 10 ACCE CO[C@@H]1C(=O)N[C@H]1c1ccccc1O 238408141 CSROBUYTJLUILN-IUCAKERBSA-N 193.202 0.578 10 10 ACCE CN(C)C[C@@H](N)c1ccccc1O 258334547 YVKXTIOEFRZPOE-SECBINFHSA-N 180.251 0.954 10 10 ACCE CCC1([C@@H](O)C(=O)C(C)=O)CC1 1929227522 KSVORIRWNVSDPT-QMMMGPOBSA-N 170.208 0.696 10 10 ACCE NCC=CCc1cc(O)nc(O)c1 1952431998 SFAHTCQOFWSBET-UHFFFAOYSA-N 180.207 0.550 10 10 ACCE CC(=O)C(=O)c1cc2ncccn2n1 1952433695 JLVZPRJDHFZZPE-UHFFFAOYSA-N 189.174 0.501 10 10 ACCE [N-]=[N+]=NCCCCN1CCOCCN1 1957242874 BTOHQRGUDJFFAD-UHFFFAOYSA-N 199.258 0.914 10 10 ACCE CC[C@H]1C[C@H]1COc1nnc(=N)[nH]n1 2209559504 FOZGWCRYZNQQBU-WDSKDSINSA-N 195.226 0.104 10 10 ACCE C[C@@H](O)[C@H](O)CCc1ccc(N)cc1 107535082 WAIRXKDNKWMTMF-LDYMZIIASA-N 195.262 0.943 10 10 ACCE [N-]=[N+]=NC[C@H](O)CN1CCCC1 203325582 QZJQOWYYURTWLA-ZETCQYMHSA-N 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156.145 0.113 10 10 ACCE Nc1ccccc1N[C@H]1COC[C@H]1N 1888898862 UNVKCTANPDECLG-SCZZXKLOSA-N 193.250 0.407 10 10 ACCE CCOCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912178764 OZGHGRKIYMMFKG-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCS[C@@H]1C 1929138540 CDEITXJPEFYUND-HTRCEHHLSA-N 188.248 0.401 10 10 ACCE CC(C)(O)[C@@H](N)c1c(O)cccc1O 1951477613 ZQYPHKYYEGAIFQ-VIFPVBQESA-N 197.234 0.869 10 10 ACCE O=C1CC[C@@H](c2cc(O)nc(O)c2)N1 1952462983 JWBIBGGVDDMXEY-LURJTMIESA-N 194.190 0.444 10 10 ACCE Oc1ccc([C@]23CNC[C@H]2C3)cc1O 1952606160 CDAPVRQRNMEXII-KCJUWKMLSA-N 191.230 0.959 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H](O)CO1 1953644641 VZHOHSQTIRXCCA-ZCFIWIBFSA-N 172.188 0.295 10 10 ACCE [N-]=[N+]=NCCN1CC([C@@H](F)CO)C1 1953834045 XTMNMQZCNPOEPL-ZETCQYMHSA-N 188.206 0.559 10 10 ACCE CNC1CN(CCCCN=[N+]=[N-])C1 1954206713 KZWCSTXVAGJASJ-UHFFFAOYSA-N 183.259 0.981 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@]2(CN)C1 2242102756 MLABKRLJKCZEAF-BDAKNGLRSA-N 195.270 0.967 10 10 ACCE CNCC[C@H](O)c1ccc(O)c(O)c1 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[N-]=[N+]=NCCCNC(=O)c1cnc[nH]1 701318586 JPUYSLOEAHZQAW-UHFFFAOYSA-N 194.198 0.840 10 10 ACCE O=C1NC[C@@H](c2ccc(O)c(O)c2)O1 1535869334 VFAXBSFVHRTYDG-QMMMGPOBSA-N 195.174 0.879 10 10 ACCE COC(=O)CCCN1CC(N=[N+]=[N-])C1 1912165612 MUDLIUFSTJVFOL-UHFFFAOYSA-N 198.226 0.934 10 10 ACCE COC[C@@H](NN)c1ccccc1O 1928481265 TVQAUHPRCGLVPS-MRVPVSSYSA-N 182.223 0.543 10 10 ACCE CC[C@@H](N)[C@H]1CCC(=O)C1=O 1932573144 FGVTZRLDWPEKLR-PHDIDXHHSA-N 155.197 0.272 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H](C1)N2 1954208021 GRBZIRHTGXFKNO-OCAPTIKFSA-N 181.243 0.733 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](C1)N2 1954208444 NFSHHXRDIKEGPG-OCAPTIKFSA-N 181.243 0.733 10 10 ACCE Nc1ccc(-n2cc(O)nc2O)cc1 1955064696 GNNXXHOHQOEWMV-UHFFFAOYSA-N 191.190 0.866 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](C1)C2O 1957010587 VCFUZCJBMWASFW-JVHMLUBASA-N 196.254 0.999 10 10 ACCE CCOC(=O)NC(=O)CN=[N+]=[N-] 104702315 FXILEFRUUYOTSM-UHFFFAOYSA-N 172.144 0.569 10 10 ACCE N[C@@H](CO)c1cc2c(cc1O)OCC2 107361176 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0.730 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H]2O[C@H]2C[C@@H]1O 34582587 LCBHYQNSMRMDNC-AZGQCCRYSA-N 155.157 0.587 10 10 ACCE CN1CCc2cc([C@@H](N)CN)ccc21 50287127 HAKKDYSGYZITMS-JTQLQIEISA-N 191.278 0.637 10 10 ACCE CS[C@@H]1NC(=O)[C@@]1(C)N=[N+]=[N-] 238388664 IZVVFQISVUSTAW-CRCLSJGQSA-N 172.213 0.874 10 10 ACCE C[C@@H]1[C@@H](N=[N+]=[N-])C(=O)N1C 238442784 ZUFSTWUGURGWST-QWWZWVQMSA-N 140.146 0.526 10 10 ACCE C[C@@]1(O)C[C@H](O)[C@@H](N=[N+]=[N-])CO1 238504237 PNCLRTVOUCWXDS-ZLUOBGJFSA-N 173.172 0.155 10 10 ACCE NCCc1cc(O)c(O)c(F)c1F 238570871 NKOTVQNOEFJHJJ-UHFFFAOYSA-N 189.161 0.877 10 10 ACCE N[C@H]1Cc2cccc(O)c21 258466951 HSYWYPSOVMIFTM-LURJTMIESA-N 135.166 0.948 10 10 ACCE c1c[nH]c(N=Nc2nn[nH]n2)n1 379329828 IBTUXFRGRIVBCL-UHFFFAOYSA-N 164.132 0.338 10 10 ACCE [N-]=[N+]=NC[C@@H](O)C1(N)CCCC1 1912168182 BSFOEUQYOPPIKO-ZCFIWIBFSA-N 170.216 0.929 10 10 ACCE Cn1ccc([C@H](O)CN=[N+]=[N-])n1 1912188940 SCGRFGPUAYCFIJ-ZCFIWIBFSA-N 167.172 0.764 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1CC1(C)C 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[N-]=[N+]=N[C@H]1C[C@H](O)[C@@H](N=[N+]=[N-])C[C@@H]1O 238711491 LTERTUYKFMDNRX-BXKVDMCESA-N 198.186 0.860 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H]2OC[C@@H](O2)[C@H]1O 306997921 APMDJUZTSVOTDG-FSIIMWSLSA-N 171.156 0.171 10 10 ACCE CC1(O)CN(Cc2ccc(N)cc2)C1 307068424 MMVLGZGZXUNKBO-UHFFFAOYSA-N 192.262 0.835 10 10 ACCE Nc1ccc(O[C@H]2CNC[C@@H]2F)cc1 1896321374 NEJHZZSTSPNUON-UWVGGRQHSA-N 196.225 0.958 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@@]2(N)C1 1954206846 MTZKNAUJBCNCDK-JGVFFNPUSA-N 181.243 0.720 10 10 ACCE NC1=Nc2ccc(O)c(O)c2CN1 27751060 CAZVZPGQJCDSNY-UHFFFAOYSA-N 179.179 0.147 10 10 ACCE [N-]=[N+]=NC1=CC(=O)OC1 38948571 XQSBHYDBSCAAAP-UHFFFAOYSA-N 125.087 0.737 10 10 ACCE O=C1CCc2ccc(O)c(O)c2O1 39289597 MQMWTSQTEQRQDK-UHFFFAOYSA-N 180.159 0.949 10 10 ACCE COc1ccc([C@@H](N)[C@H](C)O)c(O)c1 95672856 VSRUABHBVFKTHI-WKEGUHRASA-N 197.234 0.781 10 10 ACCE NCc1c(O)c(F)cc2c1OCO2 212048240 FXHRLLANLJYZOB-UHFFFAOYSA-N 185.154 0.719 10 10 ACCE [N-]=[N+]=N[C@H](Cc1cnc[nH]1)C(=O)O 238637542 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10 10 ACCE CCN(CC)CCNC(=O)CN=[N+]=[N-] 229009400 XQUJBFCVLWZHPB-UHFFFAOYSA-N 199.258 0.755 10 10 ACCE COC(=O)C(=O)C=S(C)C 238356514 DUEZCGDQDRPWCW-UHFFFAOYSA-N 162.210 0.059 10 10 ACCE [N-]=[N+]=N[C@@H]1CCO[C@H]1C(=O)O 238678393 UROHGMIFGGCYGK-QWWZWVQMSA-N 157.129 0.539 10 10 ACCE CO[C@@H](C)[C@H]1O[C@H](O)C[C@@H]1N=[N+]=[N-] 307007764 GWPOOYQQINBXNF-ZTYPAOSTSA-N 187.199 0.808 10 10 ACCE CCS(CC)=C1C(=O)C(=O)C1=O 334138992 WTZQDHWISIYTEM-UHFFFAOYSA-N 186.232 0.188 10 10 ACCE COc1ccc2c(c1O)[C@@H](N)CO2 713778435 AGTNAKLZEGRDIR-YFKPBYRVSA-N 181.191 0.793 10 10 ACCE COc1cc(CN(C)O)cc(O)c1O 1536203121 CNSVLHZYWIJBAR-UHFFFAOYSA-N 199.206 0.927 10 10 ACCE CC(=O)C(=O)[C@]1(O)[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 1883089610 KFKLNJBJZZYULD-CRKKBNSPSA-N 180.203 0.161 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@@H](O)C[C@H]2C1 1886540171 YIEYKSHICUALKB-AYMMMOKOSA-N 196.254 0.999 10 10 ACCE C[C@@H]1CCN[C@@H]([C@H]2CCC(=O)C2=O)C1 1932574000 SSMLJYBUYQJULN-IWSPIJDZSA-N 195.262 0.923 10 10 ACCE 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0.040 10 10 ACCE Cc1ccc(F)c([C@@H](N)CN)c1O 72200222 MLBWJSQHVHDMTF-ZETCQYMHSA-N 184.214 0.798 10 10 ACCE CC[C@H](N)[C@@H]1CCCC(=O)C1=O 166485236 GTOUGDLPSGXCHA-BQBZGAKWSA-N 169.224 0.662 10 10 ACCE C[C@](N)(CO)c1cccc(S)c1O 238511910 VTNNGSXVLBOMAP-VIFPVBQESA-N 199.275 0.847 10 10 ACCE NCc1cc(F)cc([N+](=O)[O-])c1O 258093566 OEYADMRBJSMXMD-UHFFFAOYSA-N 186.142 0.898 10 10 ACCE C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1N=[N+]=[N-] 307017329 ACUQKGTUEJYYET-BXKVDMCESA-N 173.172 0.153 10 10 ACCE CC(=O)C(=O)CSc1nncn1C 308151823 OVFNWQBJGJDPMK-UHFFFAOYSA-N 199.235 0.065 10 10 ACCE CC1=NNC(=O)C1=C1CCCN1 1911602689 ZKAKKJRZVFQYMR-UHFFFAOYSA-N 165.196 0.130 10 10 ACCE O=CNC=Cc1ccc(O)c(O)c1 1912000358 DBIMWULYZNNEPY-UHFFFAOYSA-N 179.175 0.815 10 10 ACCE [N-]=[N+]=NC[C@H](O)C1(N)CCCC1 1912168181 BSFOEUQYOPPIKO-LURJTMIESA-N 170.216 0.929 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CC[C@@H]21 1929226477 CSHOKGXIEHAXTP-WEDXCCLWSA-N 182.219 0.696 10 10 ACCE C[C@@]12CNC[C@H]1CN(CCN=[N+]=[N-])C2 1957244271 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ACCE COC[C@H](C)OC[C@@H](O)CN=[N+]=[N-] 234724847 LQMPDVJWVZQXJK-BQBZGAKWSA-N 189.215 0.709 10 10 ACCE CO[C@@H]1COC[C@@H](CN=[N+]=[N-])O1 238330974 MWJDUPVEVJNSDR-RITPCOANSA-N 173.172 0.685 10 10 ACCE C[C@H](O)CC(=O)NCCCN=[N+]=[N-] 1883280096 DZTMJFGXWFXNAU-LURJTMIESA-N 186.215 0.574 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C(CO)[C@H]2C1 1912199089 OKEOBIYRLRXFRR-BQBZGAKWSA-N 182.227 0.467 10 10 ACCE [N-]=[N+]=N[C@@H]1CN(C2CC2)C[C@H]1O 1935117874 YKJVYSWYSHRHLG-RNFRBKRXSA-N 168.200 0.504 10 10 ACCE CC[C@@H]1CC[C@@](O)(C(=O)C(C)=O)CN1 1955259364 LJUQZVDDHZQUNO-SCZZXKLOSA-N 199.250 0.038 10 10 ACCE COC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CN1 34212678 QJWIOUAZOWOZDS-RFZPGFLSSA-N 170.172 0.200 10 10 ACCE Nc1ccc(NCCOCCO)cc1 52925180 CLMPMYUPCMBGJY-UHFFFAOYSA-N 196.250 0.690 10 10 ACCE C[C@](O)(C(=O)O)c1cccc(O)c1O 144577323 IMHAJWJSTUDVSC-SECBINFHSA-N 198.174 0.390 10 10 ACCE N[C@H](CCO)c1c(O)cccc1CO 238669859 VUPNGXRXRADMDI-MRVPVSSYSA-N 197.234 0.267 10 10 ACCE O=C(O)C=Cc1cc(O)nc(O)c1 1951516807 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1935117873 YKJVYSWYSHRHLG-NKWVEPMBSA-N 168.200 0.504 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](N)C[C@@H]1O 1953193001 BMXYBWFPPHBVBL-LMVFSUKVSA-N 142.162 0.147 10 10 ACCE [N-]=[N+]=NC[C@H](F)[C@@H](O)C(=O)O 34304488 IBXQRBKCUZTKJE-STHAYSLISA-N 163.108 0.080 10 10 ACCE CNCc1c(O)cccc1O 39059459 MFJLEMRCRNSHIB-UHFFFAOYSA-N 153.181 0.817 10 10 ACCE CC(=O)C(=O)CC(=O)c1ncccn1 130056322 MNRLZSZJRYAMCB-UHFFFAOYSA-N 192.174 0.208 10 10 ACCE CCOC(=O)[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H]1O 238796028 GAMKLAYSHYGBDT-DSYKOEDSSA-N 199.210 0.999 10 10 ACCE CC(=O)C(=O)CS[C@H](C)CCO 308067859 ZOMGNHIJRRQXGH-ZCFIWIBFSA-N 190.264 0.649 10 10 ACCE CCC(N=[N+]=[N-])([N+](=O)[O-])[N+](=O)[O-] 706517824 SGLYFDILDBVPCH-UHFFFAOYSA-N 175.104 0.914 10 10 ACCE N[C@@H]1C[C@H]1c1cccc(O)c1O 1535736734 OMERYJAVPPNXTN-NKWVEPMBSA-N 165.192 0.912 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2C[C@H]21 1929207707 FXTKUMTYBUWRBX-BHNWBGBOSA-N 168.192 0.306 10 10 ACCE CNC1CN(CCCN=[N+]=[N-])C1 1953750892 DRIIUSXJCVKZHW-UHFFFAOYSA-N 169.232 0.590 10 10 ACCE CC(=O)C(=O)c1cc[nH]c1 71495245 ZRDDFOJKXMYOAQ-UHFFFAOYSA-N 137.138 0.786 10 10 ACCE O=C1C(=O)[C@@H]2C[C@@H]3C[C@@H]2C[C@H]13 306518525 IEBXBLFYIBAZNA-RNGGSSJXSA-N 150.177 0.801 10 10 ACCE NCC1=S=NC/C1=C1\C=NCS1 725606601 VKVXSZKOBNISFV-ALCCZGGFSA-N 199.304 0.427 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2NC(=O)O[C@@H]2C1 1884553470 IVKPIMTWJCOBFL-PHDIDXHHSA-N 197.198 0.089 10 10 ACCE C[C@H](NCc1ccc(N)cc1)C(N)=O 1884693222 FJXDXNAUUDMBCL-ZETCQYMHSA-N 193.250 0.232 10 10 ACCE CCCn1ccc2c(c1=O)CNCC2 1930894112 JLYLZNFCKJONOX-UHFFFAOYSA-N 192.262 0.904 10 10 ACCE O=C1CC[C@@H](C(=O)C2CCC2)C1=O 1932573177 FSNQFDRPSIMBER-ZETCQYMHSA-N 180.203 0.904 10 10 ACCE Cn1nc([C@@H](CO)N=[N+]=[N-])ccc1=O 1951831127 VPRYUQXIDKTCTM-ZCFIWIBFSA-N 195.182 0.124 10 10 ACCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@@H]1N 1954209108 YZJXIMMXENGWRB-SFYZADRCSA-N 183.259 0.966 10 10 ACCE COC(=O)[C@@H](C)NCCCN=[N+]=[N-] 85225200 ZYSLPIMSXCQIAP-ZCFIWIBFSA-N 186.215 0.838 10 10 ACCE COC[C@H](O)[C@H](N)c1ccccc1O 95806910 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ACCE C[C@@H](CO)CN1CC[C@H](N=[N+]=[N-])C1 1912167340 JVYRSAKSGCQLNO-SFYZADRCSA-N 184.243 0.999 10 10 ACCE CC(=O)C(=O)C[C@H]1CCCN1C 1951580563 FCBJMLSXBCNLND-MRVPVSSYSA-N 169.224 0.629 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccsn1 1953371354 ZYSLZCNIBPYRRQ-ZETCQYMHSA-N 185.204 0.335 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](C1)C2N 1957244553 QYNZRJDYLUFEQP-JVHMLUBASA-N 195.270 0.966 10 10 ACCE [N-]=[N+]=NCCCCN1C[C@@H]2C(N)[C@H]2C1 1957251272 ZYBQKHFVETVXFB-YUMQZZPRSA-N 195.270 0.966 10 10 ACCE O=S(=O)(O)Nc1ccc(O)cc1 39256434 DMEOYBXJWVYCNP-UHFFFAOYSA-N 189.192 0.607 10 10 ACCE NC(=O)NCCc1ccc(O)c(O)c1 59154943 DRBDGVQEKDCOAR-UHFFFAOYSA-N 196.206 0.309 10 10 ACCE CNC[C@@H](O)c1sccc1O 106082999 DODVTRAAPHZINB-ZCFIWIBFSA-N 173.237 0.707 10 10 ACCE N[C@@H](C(=O)O)c1cccc(O)c1O 137159238 JMSRAXNLRALVPC-ZCFIWIBFSA-N 183.163 0.182 10 10 ACCE Cn1nnnc1CN=[N+]=[N-] 238555173 WKUWOURPHBLCRQ-UHFFFAOYSA-N 139.122 0.020 10 10 ACCE N[C@H]1COc2ccc(C(=O)O)c(O)c21 238646566 ZEMJAJJVCGTHOT-YFKPBYRVSA-N 195.174 0.483 10 10 ACCE Cc1cc(CON)cc(O)c1O 257959960 GSVMQZUOPWPKRZ-UHFFFAOYSA-N 169.180 0.797 10 10 ACCE Cn1cc(Cl)c(CCN)cc1=O 257962127 XLBSRHQIMRQKLX-UHFFFAOYSA-N 186.642 0.540 10 10 ACCE COc1cc(O)nc(O)c1 306576036 JUTZBSDGSZASCJ-UHFFFAOYSA-N 141.126 0.501 10 10 ACCE CC[S@](=O)N=[N+]=[N-] 306826387 AIUBRPTYFBEJIG-ZETCQYMHSA-N 119.149 0.980 10 10 ACCE CC(=O)C(=O)[C@@H]1CCOC1 307406651 FKFBKCLUWPNPDX-ZCFIWIBFSA-N 142.154 0.181 10 10 ACCE CCC[C@@H]1C[C@@H]1[C@H](O)C(=O)C(C)=O 1883906307 SHLPVCLIFXFVDT-WEDXCCLWSA-N 184.235 0.942 10 10 ACCE C[C@H](CO)CNCc1ccc(N)cc1 1884776126 PQSKRWWSDUKGFM-VIFPVBQESA-N 194.278 0.987 10 10 ACCE Nc1ccc(NCC2(N)COC2)cc1 1888898601 NZULKUWDTPWYQP-UHFFFAOYSA-N 193.250 0.408 10 10 ACCE CC(=O)C(=O)[C@H](O)C(C)C 1929114112 YVPDQPAILJABSR-ZCFIWIBFSA-N 144.170 0.161 10 10 ACCE N[C@H](c1ccccc1O)C1(O)COC1 1929437824 HOWRDIDDRFWWSM-SECBINFHSA-N 195.218 0.153 10 10 ACCE [N-]=[N+]=NCc1nnsc1N 1953192523 CPVILONMBJMLAR-UHFFFAOYSA-N 156.174 0.931 10 10 ACCE CO[C@@H]1C[C@H](CN)N(CCN=[N+]=[N-])C1 1957243892 JHCMHDHLFGEIHH-HTQZYQBOSA-N 199.258 0.345 10 10 ACCE CC(C)C1=NN(C)C(=O)C1=O 39103270 GHYGAEFGRJDOIX-UHFFFAOYSA-N 154.169 0.040 10 10 ACCE [N-]=[N+]=NCCCON 145474396 JLLYJZSKBQOIJU-UHFFFAOYSA-N 116.124 0.577 10 10 ACCE COC(=O)C1=C[C@H](N=[N+]=[N-])[C@H](O)CC1 238311814 CCXQVUOVSPOLTB-NKWVEPMBSA-N 197.194 0.919 10 10 ACCE Cc1cc(O)c(O)c([C@H](N)CO)c1 238471632 AFJCMEHGLNNHHM-SSDOTTSWSA-N 183.207 0.398 10 10 ACCE [N-]=[N+]=N[C@@H]1C=C[C@H]([C@@H](O)C(=O)O)C1 238716287 JVCQYHCIQAXHEQ-KVQBGUIXSA-N 183.167 0.687 10 10 ACCE CCn1ccnc1C1=C[C@@H](N)CNC1 675077769 IEDXWNJSHZUQRR-SECBINFHSA-N 192.266 0.217 10 10 ACCE C[C@@H](CO)N1CC[C@@H](N=[N+]=[N-])C1 1912160541 XNWZMFYWAQVWNW-NKWVEPMBSA-N 170.216 0.752 10 10 ACCE COc1nccnc1C(=O)C(C)=O 1951893542 YUYMTWLPVQXBPU-UHFFFAOYSA-N 180.163 0.257 10 10 ACCE CCN(CCN=[N+]=[N-])[C@@H]1CCNC1 1954206927 NSUXMDDIIFRRAM-MRVPVSSYSA-N 183.259 0.981 10 10 ACCE NC[C@@H](O)c1ccc(O)c(O)c1F 6091770 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180.251 0.630 10 10 ACCE C[C@]1(c2ccccc2O)NCC[C@@H]1O 259028389 VNDSTNPHJBUSTP-WDEREUQCSA-N 193.246 0.962 10 10 ACCE [N-]=[N+]=NC[C@@H]1CN2C[C@@H](O)C[C@@H]2CO1 687824502 OJWYQFIHZXBHFO-GJMOJQLCSA-N 198.226 0.131 10 10 ACCE CC(=O)C(=O)COC(=O)/C=C\C(C)C 808543732 ZNXLGERQCYWKQM-PLNGDYQASA-N 198.218 0.900 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H]2[C@H]1CO 1883800577 DBYDOBGPBXAXMN-BIIVOSGPSA-N 182.227 0.609 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2NC(=O)O[C@@H]2C1 1884553469 IVKPIMTWJCOBFL-NTSWFWBYSA-N 197.198 0.089 10 10 ACCE CCSC[C@](C)(O)C(=O)C(C)=O 1929140986 KPUREGCKSXESRW-QMMMGPOBSA-N 190.264 0.649 10 10 ACCE O=C1CCN[C@@H]1c1cc(O)ccc1O 1951865656 AXNYASRFRGTLNJ-SNVBAGLBSA-N 193.202 0.701 10 10 ACCE CO[C@H](CN)Cc1cc(O)nc(O)c1 1952300006 CYMREWPAQKDNTG-ZETCQYMHSA-N 198.222 0.009 10 10 ACCE [N-]=[N+]=NCCN1CCC(N)(CO)CC1 1957249408 KGIKVYFUYGHYKF-UHFFFAOYSA-N 199.258 0.082 10 10 ACCE [N-]=[N+]=NCCCNC(=O)[C@@H]1CCOC1 42013171 UHSZBXVQPUGGQZ-SSDOTTSWSA-N 198.226 0.840 10 10 ACCE C[C@@H](N)c1cc(O)c(O)c(O)c1 83591183 DITMLSQJKUUXIX-SCSAIBSYSA-N 169.180 0.823 10 10 ACCE C[C@@]12C[C@@]1(C)C(=O)C(=O)C2=O 111350487 ILUAVTSUMQJWCW-YUMQZZPRSA-N 152.149 0.124 10 10 ACCE O=c1cc(O)c2cc(O)c(O)cc2o1 147190875 FNYQCLTWIHHCQV-UHFFFAOYSA-N 194.142 0.910 10 10 ACCE biogenic C[C@@H]1C/C(=C\O)C(=O)O1 205903538 HGECVEUOGLVVSV-OFWOHVDASA-N 128.127 0.764 10 10 ACCE CCNC[C@@]1(OC)C=C[C@@H](OC)O1 238258124 RFFJKZFXLSGULH-DTWKUNHWSA-N 187.239 0.498 10 10 ACCE CCC[C@H](O)[C@H](CO)N=[N+]=[N-] 238264652 RSKODESSLMYMNV-WDSKDSINSA-N 159.189 0.819 10 10 ACCE O=C(O)C(=S)C(=S)S 238671905 KCEFPDJCJXFYCQ-UHFFFAOYSA-N 166.248 0.698 10 10 ACCE CCn1ccnc1C=C[C@H](CN)OC 1893640054 SDPSNVMNUFZXMD-SECBINFHSA-N 195.266 0.890 10 10 ACCE [N-]=[N+]=NC1CN(CCC2OCCO2)C1 1912203410 DCGDHFZBVBTMJA-UHFFFAOYSA-N 198.226 0.744 10 10 ACCE O=C1CC[C@@H](C(=O)C(F)(F)F)C1=O 1932572926 AXATZWHVVHEQTN-GSVOUGTGSA-N 194.108 0.666 10 10 ACCE CCC1(C(=O)C(C)=O)COC1 1951578637 YGGQBBMJRXTZGE-UHFFFAOYSA-N 156.181 0.571 10 10 ACCE CC(=O)C(=O)c1ccc(Cl)nn1 1951936946 RRDBYGKRPAZULQ-UHFFFAOYSA-N 184.582 0.902 10 10 ACCE CC1(C)[C@H]2CC[C@@]1(CCO)C(=O)C2=O 100278038 QNCIMAMUXGXBPL-WRWORJQWSA-N 196.246 0.943 10 10 ACCE N=Nc1[nH]cnc1C(N)=O 104637623 IRJLFDHRTDDHFP-UHFFFAOYSA-N 139.118 0.171 10 10 ACCE CC(=O)NCCCNCCCN=[N+]=[N-] 196770050 VOUUISLMMOYPBL-UHFFFAOYSA-N 199.258 0.803 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC[C@H](CO)O1 213882069 AQQMOBMMRBLTGD-NTSWFWBYSA-N 157.173 0.837 10 10 ACCE C[C@H]1COC[C@@H]1C(=O)NCCN=[N+]=[N-] 705268572 PCLBPRFCUGWCQV-BQBZGAKWSA-N 198.226 0.695 10 10 ACCE CC1=C=S=C(C)[C-]1C(=O)C1CNC1 885787297 LRLCTQAKXLOEIP-UHFFFAOYSA-N 194.279 0.636 10 10 ACCE C[C@H](N)[C@H](O)Cc1cccc(O)c1O 1952135676 ORCNQZBSKAYVEH-IMTBSYHQSA-N 197.234 0.348 10 10 ACCE N[C@H]1CCO[C@@H]1c1ccc(O)c(O)c1 1952307153 WHDFVGQQJKHQHI-OIBJUYFYSA-N 195.218 0.887 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@@]2(CN)C1 2242102758 MLABKRLJKCZEAF-RKDXNWHRSA-N 195.270 0.967 10 10 ACCE [N-]=[N+]=NC[C@@H](F)[C@H](O)C(=O)O 34304487 IBXQRBKCUZTKJE-GBXIJSLDSA-N 163.108 0.080 10 10 ACCE COc1ccc(CCN)c(O)c1O 44399178 IZPVIGUKDTXBNK-UHFFFAOYSA-N 183.207 0.608 10 10 ACCE Cc1cc(C)n(N/N=N/O)n1 96327892 JICHFFDCFMXDSF-UHFFFAOYSA-N 155.161 0.800 10 10 ACCE COC(=O)C[C@H](N=[N+]=[N-])C(C)=O 238365558 ZUCNUEONMRFXTK-YFKPBYRVSA-N 171.156 0.817 10 10 ACCE Cc1cc(O)c([C@H](N)C(=O)O)cc1O 258126437 RANHWTZFJGZXRG-QMMMGPOBSA-N 197.190 0.491 10 10 ACCE CN[C@H]1CCN(C)[C@@H]1CN=[N+]=[N-] 642822459 BRSWEYULZFWOIC-NKWVEPMBSA-N 169.232 0.589 10 10 ACCE NC[C@H](CF)Oc1ccc(N)cc1 1883787811 HKYQDNOTBWCRLD-VIFPVBQESA-N 184.214 0.944 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(Cc2nn[nH]n2)C1 1912158196 WKMMHSXVVAGTOK-RXMQYKEDSA-N 194.202 0.084 10 10 ACCE COCC[C@H](NN)c1ccccc1O 1928480868 OKMQLZIBMKHLNF-VIFPVBQESA-N 196.250 0.933 10 10 ACCE C[C@@H](N)[C@@H](O)c1cccc(O)c1O 1951841626 BPLDWZFUCZXOSV-SVGQVSJJSA-N 183.207 0.478 10 10 ACCE CC(=O)[C@@H](O)Cc1cccc(O)c1O 1952070666 MLOCJTYLXRVTFV-VIFPVBQESA-N 196.202 0.590 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H]1CN 1953751461 LMMBRAPYBHXRQZ-ZETCQYMHSA-N 169.232 0.720 10 10 ACCE CN(CCN=[N+]=[N-])C1[C@H]2CNC[C@H]12 1954207999 GCYGTWMXNOLJEW-BQBZGAKWSA-N 181.243 0.446 10 10 ACCE [N-]=[N+]=NCCN[C@@H](CN=[N+]=[N-])C(=O)O 85622403 OCWUVQHXYNOTLC-BYPYZUCNSA-N 199.174 0.650 10 10 ACCE O=C1CCCC[C@@H](O)C1=O 200065694 JEFQRGWZZSOFBT-RXMQYKEDSA-N 142.154 0.060 10 10 ACCE [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1C1CC1 219374418 VXYJDLYUGSXMEZ-UHNVWZDZSA-N 152.157 0.574 10 10 ACCE COC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CO1 238337586 NNIMEXJZKOAUPY-RFZPGFLSSA-N 171.156 0.627 10 10 ACCE Cc1cc(O)c([C@H](N)CO)cc1N 238475706 DVKKTOVPOGOPDB-MRVPVSSYSA-N 182.223 0.275 10 10 ACCE NCCCNc1ccc(O)c(O)c1 238568789 AHIMOQRUQLZFDR-UHFFFAOYSA-N 182.223 0.859 10 10 ACCE [N-]=[N+]=NC[C@H]1COC[C@H](O)O1 238704979 NAZOFVJNUGARNQ-CRCLSJGQSA-N 159.145 0.031 10 10 ACCE CN1N[C@@H](c2ccccc2O)CC1=O 257826783 HPZXNWJBVBSXDQ-MRVPVSSYSA-N 192.218 0.800 10 10 ACCE CNC(=O)c1ccc(C)c(O)c1O 306371523 FJKHIKANGXWNMJ-UHFFFAOYSA-N 181.191 0.766 10 10 ACCE CC(=O)C(=O)[C@]1(O)[C@H]2[C@H]3C[C@@H]1C[C@H]32 1883089612 KFKLNJBJZZYULD-IPOBJWQNSA-N 180.203 0.161 10 10 ACCE CC(=O)C(=O)[C@H](O)c1cc(C)ccn1 1884837460 LABJMXKXHDAKJK-SNVBAGLBSA-N 193.202 0.582 10 10 ACCE Nc1ccc(OCC2(N)COC2)cc1 1896333982 BOQHUEZHVDBRHU-UHFFFAOYSA-N 194.234 0.375 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ccncc1 1929109739 BKVPNTCHYPLBDP-VIFPVBQESA-N 179.175 0.273 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCCC(=O)CC1 1931283616 UQLFRAPVMFIIIJ-JTQLQIEISA-N 198.218 0.409 10 10 ACCE CC(=O)C(=O)c1nccn1C 1951571508 HVZBSZDXEINIMY-UHFFFAOYSA-N 152.153 0.192 10 10 ACCE COC(=O)c1c(N)ccc(O)c1O 2055379863 FWKGREBPLKXRFC-UHFFFAOYSA-N 183.163 0.467 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@]2(O)C[C@@H]2C1 2241317900 PMAJAVDUNZUKBX-HTQZYQBOSA-N 182.227 0.753 10 10 ACCE CC(C)(C)OC(=O)C=[N+]=N 95876931 GHKHGYLBFLYIHO-UHFFFAOYSA-N 143.166 0.638 10 10 ACCE [N-]=[N+]=NCC(=O)NCCN1CCCC1 229009634 KLCBAJXHEWTUHG-UHFFFAOYSA-N 197.242 0.509 10 10 ACCE C[C@H]1CCN(CCN=[N+]=[N-])[C@H]1CO 299914098 RRQRAAFOSUFVPO-YUMQZZPRSA-N 184.243 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@@H](O)C[C@H]2CO[C@@H]1O2 307396821 PTNQTKJJZQJGOS-UNTFVMJOSA-N 171.156 0.171 10 10 ACCE CCOC(=O)/C(=C\O)n1cncn1 308147659 DRXKZGGHLALNNZ-ZZXKWVIFSA-N 183.167 0.198 10 10 ACCE C[C@H]1CC[C@]1(NCCN=[N+]=[N-])C(N)=O 308536928 MKULXKIVJWBBHH-POYBYMJQSA-N 197.242 0.540 10 10 ACCE [N-]=[N+]=NCCC[S@@](N)=O 675071827 RRIZVTWWFHGOHP-VIFPVBQESA-N 148.191 0.309 10 10 ACCE [N-]=[N+]=NCCOCCOCCCN 698254012 NWQGJMDBXJMNCQ-UHFFFAOYSA-N 188.231 0.679 10 10 ACCE C[C@H](N)C(=O)c1ccc(O)c(O)c1O 1535836542 WPPZXTIZEPPVMO-BYPYZUCNSA-N 197.190 0.333 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2[C@@H](CO)[C@@H]2C1 1882363689 OKEOBIYRLRXFRR-JIGDXULJSA-N 182.227 0.467 10 10 ACCE CC1(C)CN(CCN=[N+]=[N-])[C@@H]1CO 1912172597 GEOSUTPESMFRHO-SSDOTTSWSA-N 184.243 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(CCC(N)=O)C1 1912197345 SBYULFVNHZVRGC-ZCFIWIBFSA-N 183.215 0.246 10 10 ACCE O=C1CCN[C@H]1c1cc(O)nc(O)c1 1952462569 HBQYJIRJNLGFTM-VIFPVBQESA-N 194.190 0.096 10 10 ACCE Oc1cc([C@@H]2C[C@@H](F)CN2)cc(O)n1 1953016193 GRCCKYKHXKIXFL-RQJHMYQMSA-N 198.197 0.865 10 10 ACCE Nc1cc(O)c(O)cc1CC(=O)O 2055119841 VYXPHGDHMODTEZ-UHFFFAOYSA-N 183.163 0.307 10 10 ACCE O=C(O)[C@@H](O)c1cccc(O)c1O 34283546 AQULTZMTCLLZBM-ZETCQYMHSA-N 184.147 0.216 10 10 ACCE C[C@](N)(CO)c1cc(O)ccc1O 95758333 ARDLTZISMXGBDP-VIFPVBQESA-N 183.207 0.264 10 10 ACCE CN=[N+](C)[O-] 100272125 DGAKHGXRMXWHBX-UHFFFAOYSA-N 74.083 0.209 10 10 ACCE O=c1ccc2ccc(O)c(O)c2[nH]1 135735527 XUAVKWHEBZJRBZ-UHFFFAOYSA-N 177.159 0.939 10 10 ACCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O)CO1 238336117 PBWBEMWCVFLZFA-ZLUOBGJFSA-N 173.172 0.419 10 10 ACCE C[C@H](O)[C@H](N)c1c(O)cccc1CO 238486440 XAVKBHRVRHAJQP-WKEGUHRASA-N 197.234 0.265 10 10 ACCE Oc1cc([C@H]2CCCNC2)cc(O)n1 238721911 LINHQAREBULWQG-ZETCQYMHSA-N 194.234 0.960 10 10 ACCE OCC[C@H](NO)c1ccccc1O 379259806 XKAGKIJGLGBINO-QMMMGPOBSA-N 183.207 0.795 10 10 ACCE COC(=O)N=N/C(C)=C/C(N)=O 387604862 TYSZDPMOXHZRKO-HRUKGRKGSA-N 171.156 0.594 10 10 ACCE [N-]=[N+]=NC1CN(C[C@H](O)C(F)F)C1 1881976103 OFPPTVIQPBPCQA-YFKPBYRVSA-N 192.169 0.607 10 10 ACCE NCCNCc1c(O)cccc1F 1954507742 SSQVHIRYEAKKGX-UHFFFAOYSA-N 184.214 0.580 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC2C[C@@H]3C1[C@@H]3C2 2241231926 WIKFFZGNOZFBPD-VNLNSRPKSA-N 194.230 0.552 10 10 ACCE CNCc1ccc(N(C)CCO)cc1 37854918 ZHMWGULUYLXFKK-UHFFFAOYSA-N 194.278 0.835 10 10 ACCE [N-]=[N+]=NCCC[C@@H](O)CO 145044457 NMNPDGWREYAMNE-RXMQYKEDSA-N 145.162 0.430 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@@H]1CNC1=O 199908105 VEQKIYQDMVIDRR-DMTCNVIQSA-N 140.146 0.431 10 10 ACCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](CCO)O1 238336072 XELYDPKPUXFSAF-XVMARJQXSA-N 187.199 0.809 10 10 ACCE CC[C@H](N)[C@H](N)c1ccc(O)c(O)c1 306945405 LASCULNGDQUOFO-OIBJUYFYSA-N 196.250 0.835 10 10 ACCE CO[C@@H]1C[C@H](O)[C@H](N=[N+]=[N-])[C@H](C)O1 307303561 PNNUMSVTKFYARO-ZTYPAOSTSA-N 187.199 0.808 10 10 ACCE O=C(O)C1CCN(/[N+]([O-])=N/O)CC1 307324151 DDUWUXVJAPJBMG-CLFYSBASSA-N 189.171 0.050 10 10 ACCE N[C@H]1CC(=O)c2c1cc(O)c(O)c2O 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[N-]=[N+]=NCCCN1CC[C@@H](CN)C1 1954207280 TXRBVZRUQAZOON-QMMMGPOBSA-N 183.259 0.967 10 10 ACCE OCC[C@@H](O)c1ccc(O)c(O)c1 15112867 QSCIGRSAUGUJSJ-SSDOTTSWSA-N 184.191 0.514 10 10 ACCE O=S=CC(=O)c1ccccc1 34407257 GDRIETDFLSQGKG-UHFFFAOYSA-N 166.201 0.885 10 10 ACCE NC[C@H](N)c1cc(N)cc(F)c1O 72200254 HTMUMTYYEMKPHK-ZETCQYMHSA-N 185.202 0.072 10 10 ACCE COc1cc(C)cc(O)c1[C@H](N)CN 72200497 DEGZDQBTFBTZDE-SSDOTTSWSA-N 196.250 0.668 10 10 ACCE CCOC(=O)[C@H](C)NCCN=[N+]=[N-] 85224256 ICKAGYBAQXZHBC-LURJTMIESA-N 186.215 0.838 10 10 ACCE Cc1cccc([C@H]2CNCCN2)c1O 95691670 SKEDKFSHQQTDSC-SNVBAGLBSA-N 192.262 0.935 10 10 ACCE C[C@H](N)COc1ccc(N)cc1 104680485 MSGBUHKMSQLIPT-ZETCQYMHSA-N 166.224 0.995 10 10 ACCE COCCC(=O)[C@H]1CCCC(=O)C1=O 122647110 HBYSUUVCXJVZAM-SSDOTTSWSA-N 198.218 0.530 10 10 ACCE CN(CCN=[N+]=[N-])C(C)(C)CO 133714662 XWOKQICHMWZCCE-UHFFFAOYSA-N 172.232 0.999 10 10 ACCE CC[C@@H](N=[N+]=[N-])[C@@](C)(O)C(=O)O 210563065 WLOCSKRGRCFFNX-INEUFUBQSA-N 173.172 0.911 10 10 ACCE 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CC(=O)C(=O)[C@@]1(O)C2C[C@@H]3C1[C@@H]3C2 1916927753 KFKLNJBJZZYULD-HGWFOBRUSA-N 180.203 0.161 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C(F)(F)F 1929110942 QOYNDGRXLANAAH-YFKPBYRVSA-N 184.113 0.458 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C1(C)CC1 1929124237 LGWNZYAVOMWIAI-SECBINFHSA-N 170.208 0.696 10 10 ACCE C[C@@](N)(CO)c1ccc(O)cc1O 95747954 FSOYRPQQWFQHQW-SECBINFHSA-N 183.207 0.264 10 10 ACCE NCc1c(O)ccc2c1COC2 108285464 SJPNGZJSLJDCSH-UHFFFAOYSA-N 165.192 0.881 10 10 ACCE COCO[C@H]1C=CC[C@@H](N=[N+]=[N-])[C@@H]1O 198466139 JPZMHWBGWAOQQV-CSMHCCOUSA-N 199.210 0.975 10 10 ACCE C[C@H](C(=O)O)S(=O)(=O)N=[N+]=[N-] 307308982 DNTHBEDGSGLUSI-UWTATZPHSA-N 179.157 0.100 10 10 ACCE CC(C)C1(O)CN(CCN=[N+]=[N-])C1 384036580 IGSKODKKGDWVSN-UHFFFAOYSA-N 184.243 0.999 10 10 ACCE CN(O)Cc1ccc(O)c(O)c1O 1535834738 CFCUDDSJEVLHHP-UHFFFAOYSA-N 185.179 0.624 10 10 ACCE C[C@H](O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1882336417 NWDNDNHLNJXQNH-WDSKDSINSA-N 184.199 0.278 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2[C@@H]1CN 1883787982 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154.173 0.964 10 10 ACCE NC(=O)/C=C/c1cccc(O)c1O 44258376 XRPMYKSWZAEMLA-SNAWJCMRSA-N 179.175 0.596 10 10 ACCE O=C1OCCc2c1cc(O)c(O)c2O 238722855 BAHOZUKOOYUJJV-UHFFFAOYSA-N 196.158 0.516 10 10 ACCE CCN(CCN=[N+]=[N-])[S@@](C)=O 1887718136 STADNLDTBGEFDK-LLVKDONJSA-N 176.245 0.912 10 10 ACCE C[C@@H](CN)N(C)CCN=[N+]=[N-] 1888775339 XIESBAKNXPHOIJ-LURJTMIESA-N 157.221 0.576 10 10 ACCE CCN1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1935113802 BOKCPEIXELPUNK-PHDIDXHHSA-N 156.189 0.362 10 10 ACCE CCOCC(=O)C(C)=O 1951484472 FYYDZYTWJHNWPF-UHFFFAOYSA-N 130.143 0.181 10 10 ACCE CN(CCN=[N+]=[N-])CCOCCN 1954208506 OBHNBNYCUVEWMR-UHFFFAOYSA-N 187.247 0.204 10 10 ACCE N=Nc1ccc(O)nn1 2037838766 OGTOMFLCIIWBGF-UHFFFAOYSA-N 124.103 0.845 10 10 ACCE Cc1cc(O)c([C@@H](N)CN)cc1F 72200218 NXFURDJMYDQHSJ-QMMMGPOBSA-N 184.214 0.798 10 10 ACCE [N-]=[N+]=NS(=O)(=O)c1ncc[nH]1 85650635 QEYREOIRYJXJGY-UHFFFAOYSA-N 173.157 0.409 10 10 ACCE N[C@@H]1CCOc2c1cc(O)c(O)c2O 104501676 JQESWYZNDROTKI-RXMQYKEDSA-N 197.190 0.586 10 10 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[N-]=[N+]=NC[C@@H]1O[C@@H](O)CC[C@@H]1O 238698453 XZHPCYWSZJLZNS-HCWXCVPCSA-N 173.172 0.155 10 10 ACCE C/C=C\C(=O)OCC(=O)C(C)=O 388473562 PHDZUSLSVPIHPO-ARJAWSKDSA-N 170.164 0.264 10 10 ACCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]1[C@@H]2CO 1902449534 WDPMFYVYLANXNZ-HLTSFMKQSA-N 196.254 0.999 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H]2CCC[C@@H]21 1929241781 RLTRNIDTTACCLM-WEDXCCLWSA-N 182.219 0.696 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@H]1C=CCCC1 1935309632 JEFFDNBRJCZTLT-WPRPVWTQSA-N 182.219 0.862 10 10 ACCE CCOCC(=O)NCCCN=[N+]=[N-] 42013109 FSUYMSXCHGYDNJ-UHFFFAOYSA-N 186.215 0.840 10 10 ACCE CC(=O)N[C@@H]1CCN(CCN=[N+]=[N-])C1 160349894 KTCBBETXCUTFMB-MRVPVSSYSA-N 197.242 0.507 10 10 ACCE N[C@H](C(=O)O)c1cc(CF)ccc1O 214142637 SIACOMCLQYDLBC-QMMMGPOBSA-N 199.181 0.946 10 10 ACCE [N-]=[N+]=NCC[C@H]1C[C@@H](O)CC(=O)O1 215223725 VBMLVAQQMQCWMI-RITPCOANSA-N 185.183 0.753 10 10 ACCE N[C@H]1COc2c(F)ccc(O)c21 238640709 JCEVBRWTUCAVML-YFKPBYRVSA-N 169.155 0.924 10 10 ACCE O=C1C(=O)[C@H]2C[C@H]1[C@@H]1C=CC[C@H]21 238678159 YVYRITKJYWWXBF-KVPKETBZSA-N 162.188 0.967 10 10 ACCE Oc1cc2c(cc1O)C[C@H]1O[C@@H]1C2 238701176 XRMRJXJPXILNJN-NXEZZACHSA-N 178.187 0.964 10 10 ACCE [N-]=[N+]=CC(=O)c1ccccc1O 259793978 RLPCUDNMZAZVOX-UHFFFAOYSA-N 162.148 0.876 10 10 ACCE CO[C@@H]1O[C@H](CN=[N+]=[N-])C[C@H]1O 306335149 SGKDNZHDYPIAMA-KVQBGUIXSA-N 173.172 0.419 10 10 ACCE COCc1cc(O)nc(O)c1 307173208 OFKBMYVYXMECTB-UHFFFAOYSA-N 155.153 0.639 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C1(F)CC1 1922344424 GIYJQDYPUBTEKV-SSDOTTSWSA-N 174.171 0.398 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccc(C)nc1 1929164962 HUCHHAQEQUNNQY-SNVBAGLBSA-N 193.202 0.582 10 10 ACCE [N-]=[N+]=NCCCN1CCC2(CNC2)C1 1957247085 LGXFYVXYEOZOJC-UHFFFAOYSA-N 195.270 0.982 10 10 ACCE NCc1cc(O)c(C(=O)O)s1 84228183 CWWMCRSGUOWPDU-UHFFFAOYSA-N 173.193 0.611 10 10 ACCE [N-]=[N+]=NC[C@H]1N[C@H](C(=O)O)CS1 87606264 QNPHAWAMJLFHPH-IMJSIDKUSA-N 188.212 0.412 10 10 ACCE C[C@H](O)N(c1ccc(N)cc1)[C@H](C)O 101253138 IQZWDRPKEJZRJA-YUMQZZPRSA-N 196.250 0.752 10 10 ACCE COCc1cccc(O)c1[C@@H](N)CO 107365296 KHHZXZONVDPBQM-QMMMGPOBSA-N 197.234 0.531 10 10 ACCE [N-]=[N+]=NCC(=O)SCC(=O)O 147290492 YBMOIVGIQNECDE-UHFFFAOYSA-N 175.169 0.641 10 10 ACCE CN1CCCN(CCN=[N+]=[N-])CC1=O 229043741 NXPLYVCNWZRAGB-UHFFFAOYSA-N 197.242 0.461 10 10 ACCE CC(=O)SCNC(=O)CN=[N+]=[N-] 238127805 QBFZLKXLUUECLU-UHFFFAOYSA-N 188.212 0.650 10 10 ACCE [N-]=[N+]=N[C@@H]1CCCO[C@H]1CO 238668458 ZWQQURSXOUHYCR-RITPCOANSA-N 157.173 0.837 10 10 ACCE O=C(O)[C@@H]1NCc2cccc(O)c21 238677493 IXESTUABUGITOO-MRVPVSSYSA-N 179.175 0.621 10 10 ACCE C[C@H](N)[C@H](N)c1cc(F)ccc1O 307059615 HZCPEWBZNFRQKC-CDUCUWFYSA-N 184.214 0.878 10 10 ACCE O=C1N[C@@H]2c3cnoc3C[C@@H]2/C1=C\O 308631686 VOECTDVXTSLEMB-ZFFRCMJTSA-N 192.174 0.460 10 10 ACCE CC(C)[C@H](N)[C@H](O)CN=[N+]=[N-] 1912153847 JPZXTXDWVVJRRG-RITPCOANSA-N 158.205 0.641 10 10 ACCE CN(C)CC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912170158 TUFZCKFSRVWBBN-SSDOTTSWSA-N 197.242 0.459 10 10 ACCE COCCCC(=O)N1CC(N=[N+]=[N-])C1 1912196094 SIWPRSWBPQQEPO-UHFFFAOYSA-N 198.226 0.934 10 10 ACCE COc1cccc(O)c1CNN 1951382264 VCYYLRLHGRPRJO-UHFFFAOYSA-N 168.196 0.364 10 10 ACCE [N-]=[N+]=NCCNC(=O)N1CCC1 1953527984 YTFPVEBFZQCQGZ-UHFFFAOYSA-N 169.188 0.712 10 10 ACCE CN(CCN=[N+]=[N-])C(C)(C)CN 1953758651 OHRTURCTZQNFMI-UHFFFAOYSA-N 171.248 0.966 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ncsc1C 2209374106 IFBRTGHVXNKJSG-QMMMGPOBSA-N 199.231 0.643 10 10 ACCE N[C@@H](CO)c1cc(S)ccc1O 72197551 CXASZHPKWIIALC-ZETCQYMHSA-N 185.248 0.673 10 10 ACCE Oc1cccc(Oc2nnn[nH]2)c1O 75581549 JAMJMROSNVABHP-UHFFFAOYSA-N 194.150 0.403 10 10 ACCE NCc1cnn(-c2ccc(N)cc2)c1 82636106 QRNQONCGDUGHPL-UHFFFAOYSA-N 188.234 0.913 10 10 ACCE CCS(=O)(=O)N=[N+]=[N-] 136245200 OJKPTXBAXARIHC-UHFFFAOYSA-N 135.148 0.646 10 10 ACCE NCC[C@@H](N)c1cccc(F)c1O 307366768 MHSPFEVECAPNBH-MRVPVSSYSA-N 184.214 0.880 10 10 ACCE CC1=C=NN=C1C[N]N=N 885194038 QQOSMHGVVRBOBH-UHFFFAOYSA-N 136.138 0.522 10 10 ACCE N[C@H]1C[C@H]1c1ccc(O)c(O)c1O 1535923565 UQSRTMJOONYGPQ-WDSKDSINSA-N 181.191 0.618 10 10 ACCE CN(CCCCN=[N+]=[N-])CCC(N)=O 1912187784 JQZLEIJKEUMWQD-UHFFFAOYSA-N 199.258 0.884 10 10 ACCE C[C@H]1C[C@@H](CO)CN1CCN=[N+]=[N-] 1934972691 OHSGIJSYYPNHLZ-JGVFFNPUSA-N 184.243 0.999 10 10 ACCE NNc1cc(O)c(O)c(O)c1 1951472918 JQZYEKQVSYPEGV-UHFFFAOYSA-N 156.141 0.089 10 10 ACCE CC(=O)C(=O)CCn1cccn1 1951530714 NICADCZFYMTZTK-UHFFFAOYSA-N 166.180 0.431 10 10 ACCE CO[C@@H]1C=C[C@](OC)(C(C)=O)O1 32157350 IPLCFGNLLUIEAI-JGVFFNPUSA-N 172.180 0.477 10 10 ACCE CC(=O)C(=O)Cc1ccncc1 84427617 LCYORUYVGXZFLD-UHFFFAOYSA-N 163.176 0.782 10 10 ACCE Cc1c(N)cc(O)nc1O 104653421 CJHHDIYRBMKKKO-UHFFFAOYSA-N 140.142 0.383 10 10 ACCE NC(=O)CNCc1cc(F)ccc1O 231788345 BROKYXXWECHDFN-UHFFFAOYSA-N 198.197 0.106 10 10 ACCE Cn1cncc1C(=O)NCCN=[N+]=[N-] 236075486 XTTJMXFJBVUZGS-UHFFFAOYSA-N 194.198 0.460 10 10 ACCE CC(=O)C(=O)C(=O)CC(C)C 238119488 FRUUSRQHWZIHTO-UHFFFAOYSA-N 156.181 0.760 10 10 ACCE CC[C@H](N=[N+]=[N-])[C@H](O)CCO 238274438 FNVTWKSQNFAOQI-NTSWFWBYSA-N 159.189 0.819 10 10 ACCE C[C@@H]1CN(CCN=[N+]=[N-])C(=O)N1 953126581 CJXSHDQKAGJPFU-RXMQYKEDSA-N 169.188 0.710 10 10 ACCE CCO[C@H](CN=[N+]=[N-])C(=O)O 1775958743 XLGPFQMTPBZLRM-SCSAIBSYSA-N 159.145 0.786 10 10 ACCE Nc1ccc(N[C@H]2CNOC2)cc1 1883134399 PYFWPMDXFBUMKP-VIFPVBQESA-N 179.223 0.584 10 10 ACCE COC[C@H](CN)Oc1ccc(N)cc1 1896268600 KAPGOOLVLLKMMM-JTQLQIEISA-N 196.250 0.621 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(C(N)=O)C1 1912206774 IADLSHSGGVXFRQ-SCSAIBSYSA-N 155.161 0.450 10 10 ACCE [N-]=[N+]=NCc1ccc(O)nn1 1951383237 AROLNHKILSYZEZ-UHFFFAOYSA-N 151.129 0.993 10 10 ACCE NCCc1cc(O)cc(O)c1O 3652786 VSVPPZRSQLMEMS-UHFFFAOYSA-N 169.180 0.305 10 10 ACCE CO[C@H]1OC[C@H](N=[N+]=[N-])[C@@H]2O[C@H]12 105286183 AUPBIBKFXPZNCO-BXKVDMCESA-N 171.156 0.435 10 10 ACCE [N-]=[N+]=NCOC(=O)NCCC(=O)O 140975956 UYXHRQIYTWHFEE-UHFFFAOYSA-N 188.143 0.455 10 10 ACCE Oc1cccc(OC[C@@H]2CO2)c1O 145874793 UCSYNRDAZVQGSS-LURJTMIESA-N 182.175 0.875 10 10 ACCE NC(=O)OCCNc1ccc(N)cc1 157748668 CPOHTOIYONPDLD-UHFFFAOYSA-N 195.222 0.776 10 10 ACCE C[C@@H](CN=[N+]=[N-])CNCCCN 216556771 PNAWZRYPALXHDA-SSDOTTSWSA-N 171.248 0.871 10 10 ACCE COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CO1 238348961 NNIMEXJZKOAUPY-WHFBIAKZSA-N 171.156 0.627 10 10 ACCE Nc1ccc(N[C@@H]2CONC2=O)cc1 306840363 ZQQBWODMYQRFCG-MRVPVSSYSA-N 193.206 0.111 10 10 ACCE CN(C)N=NN(C)C=N 360183593 UKRHOSDUOAEWMB-UHFFFAOYSA-N 129.167 0.369 10 10 ACCE [N-]=[N+]=NC[C@@H](O)CCN 403600002 DBVDSAAWIAGUAI-BYPYZUCNSA-N 130.151 0.006 10 10 ACCE Cn1[nH]cnc1=Nc1ccc(N)cc1 1930280130 XIUXZASYTKPWEW-UHFFFAOYSA-N 189.222 0.563 10 10 ACCE CC(=O)C(=O)c1cc(O)cc(O)c1 1951524644 NZAMKWJYTOMNLR-UHFFFAOYSA-N 180.159 0.870 10 10 ACCE CNC[C@H]1C[C@@H]1c1cc(O)nc(O)c1 1952431768 PCVONEOKIINWSX-HTQZYQBOSA-N 194.234 0.816 10 10 ACCE CN[C@@H]1CCCN(CCN=[N+]=[N-])C1 1954207616 YTYALDCEQMSBPR-MRVPVSSYSA-N 183.259 0.981 10 10 ACCE C[C@H](N)[C@H]1CN(CCN=[N+]=[N-])CCO1 1957244241 ODYCUXBSSQXDRM-JGVFFNPUSA-N 199.258 0.345 10 10 ACCE N[C@@H](CO)c1cc(F)c(F)cc1O 72197646 RSBKASBSLHFRBC-ZETCQYMHSA-N 189.161 0.663 10 10 ACCE Nc1ccc(N2CC[C@H](N)C2)cc1 167049418 NLYZJHZGMRRVOC-VIFPVBQESA-N 177.251 0.806 10 10 ACCE O=C1C(=O)C(c2ccccc2)C1=O 238672117 FVWQLONMJBCRIR-UHFFFAOYSA-N 174.155 0.491 10 10 ACCE CCNC(=O)[C@H]1C[C@H](N=[N+]=[N-])CN1 709926921 AHUTUFUXQGSAQJ-NTSWFWBYSA-N 183.215 0.163 10 10 ACCE CNC(=O)[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912143155 BHEOGLXTICESKW-RNFRBKRXSA-N 197.242 0.506 10 10 ACCE CCCN1C[C@H](N=[N+]=[N-])[C@H](O)C1 1935106692 UZQKFGSLZOFCRC-NKWVEPMBSA-N 170.216 0.752 10 10 ACCE CCOC(OCC)C(=O)C(C)=O 1951591668 SKVONIDGAMWDGV-UHFFFAOYSA-N 174.196 0.544 10 10 ACCE CC(=O)[C@H](N)c1ccc(O)c(O)c1O 1952064404 MAVWTLYKXMFVLF-ZETCQYMHSA-N 197.190 0.392 10 10 ACCE CCOC(=O)C(=CO)C(=O)OCC 117884721 LMWRGAKQZPUJBW-UHFFFAOYSA-N 188.179 0.555 10 10 ACCE CCN[C@H](C(N)=O)c1ccccc1O 130271640 ZFIQYNRKYWEMOI-VIFPVBQESA-N 194.234 0.528 10 10 ACCE O=C1CC[C@H](c2ccccc2O)NN1 143702797 DRDYCMQUMYAKMW-MRVPVSSYSA-N 192.218 0.848 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC=C[C@@H](CO)NC1=O 216655313 WOPSCKNASRPIPA-NKWVEPMBSA-N 196.210 0.492 10 10 ACCE C[C@@H](CC(N)=O)Oc1ccc(N)cc1 220251431 BYEXJENEHSWPHQ-ZETCQYMHSA-N 194.234 0.912 10 10 ACCE O=C1N[C@H]2c3[nH]ccc3C[C@@H]2/C1=C/O 238610062 RXMJEOSBFVXCJC-SJNNWYEASA-N 190.202 0.800 10 10 ACCE CO[C@@H](C)C(=O)[C@H]1CCC(=O)C1=O 1932573232 GINAYRVQYXBELA-NTSWFWBYSA-N 184.191 0.139 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@H](CCN)C1 1933934287 ZABXQFWAEWXZES-PSASIEDQSA-N 199.250 0.025 10 10 ACCE CC(C)(N)[C@H](O)c1cccc(O)c1O 1951384801 WSUUTZQMAQLJBB-SECBINFHSA-N 197.234 0.869 10 10 ACCE N[C@@H]1C[C@@H]1c1cc(O)nc(O)c1 1952456443 FTJAUZZAONHPFD-PHDIDXHHSA-N 166.180 0.307 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@]2(CN)C1 2242104331 MLABKRLJKCZEAF-DTWKUNHWSA-N 195.270 0.967 10 10 ACCE C[C@@H]1CC(=O)NN1c1ccc(N)cc1 22149564 QMEBFWVZLNPQEK-SSDOTTSWSA-N 191.234 0.899 10 10 ACCE NC[C@H](CCO)c1ccc(O)c(O)c1 84360966 KFAUYZHCLMNLOP-QMMMGPOBSA-N 197.234 0.523 10 10 ACCE [N-]=[N+]=NC1COCCOC1 88248283 PIERVIBMKVEWGC-UHFFFAOYSA-N 143.146 0.712 10 10 ACCE C[C@@H](O)[C@H](N)c1c(O)cccc1F 95685859 NIHRDHIZJKRGBG-ANLVUFKYSA-N 185.198 0.912 10 10 ACCE C[C@@H]1CN(c2ccc(N)cc2)NC1=O 212119991 ASZRCLGWBFOZQR-SSDOTTSWSA-N 191.234 0.756 10 10 ACCE CO[C@H]1OCC(CN=[N+]=[N-])=C[C@@H]1O 221453695 MFESZNZORXHFJR-BQBZGAKWSA-N 185.183 0.587 10 10 ACCE CC(=O)N[C@H]1[C@@H](O)C=CC[C@@H]1N=[N+]=[N-] 238049682 ZZTAJAPPAOVUFJ-BIIVOSGPSA-N 196.210 0.491 10 10 ACCE [N-]=[N+]=NC[C@H]1COC(=O)O1 238657039 XVHBEODBACNNAG-VKHMYHEASA-N 143.102 0.832 10 10 ACCE Nc1cccc([C@@H](N)CC(=O)O)c1O 306723383 HAFNGIYIELKHDS-ZETCQYMHSA-N 196.206 0.449 10 10 ACCE COC(=O)[C@@H]1CCC(=O)C(=O)C1 307166354 OVKRFIOQOSMMGE-RXMQYKEDSA-N 170.164 0.098 10 10 ACCE CC1(C)CN(CCN=[N+]=[N-])C[C@@H]1O 307370509 OXQIGQVABWHARJ-ZETCQYMHSA-N 184.243 0.999 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@H]1C1CC1 1877654431 GBBAZOZOFUCALQ-QXFUBDJGSA-N 182.219 0.552 10 10 ACCE N[C@@H]1CO[C@@H](c2cc(O)nc(O)c2)C1 1952725343 ZKFVALSUZCFYSN-NKWVEPMBSA-N 196.206 0.282 10 10 ACCE CCOC(=O)[C@@H](N)CCN=[N+]=[N-] 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10 10 ACCE C[C@@H](C(N)=O)N(C)c1ccc(N)cc1 20422564 VNMWTRIGLUFPEP-ZETCQYMHSA-N 193.250 0.579 10 10 ACCE CCOC(=O)C(=O)C=S(C)C 238289361 BCPKWHQUPJGIMO-UHFFFAOYSA-N 176.237 0.449 10 10 ACCE CO[C@@H]1COC[C@@H]1N=[N+]=[N-] 306272767 YNJILEFHDHHSHM-CRCLSJGQSA-N 143.146 0.711 10 10 ACCE O=C1C(=O)[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21 307358525 YVYRITKJYWWXBF-YWIQKCBGSA-N 162.188 0.967 10 10 ACCE [N-]=[N+]=NCC[C@H]1CCNC1=O 307520828 YIHOHZPQRCRDER-RXMQYKEDSA-N 154.173 0.823 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2[C@@H]1CO 1883800579 DBYDOBGPBXAXMN-RNJXMRFFSA-N 182.227 0.609 10 10 ACCE CC(=O)C(=O)[C@@H](O)c1ncc(C)s1 1929207663 ZQRHIDQMTGKOBE-SSDOTTSWSA-N 199.231 0.643 10 10 ACCE O=C1COCC2(CCCC2)C1=O 1930206358 AFAUAGKNVQPLMA-UHFFFAOYSA-N 168.192 0.715 10 10 ACCE CN(O)Cc1c(O)cccc1O 1951349920 ODGBCVWQTACRKB-UHFFFAOYSA-N 169.180 0.919 10 10 ACCE CCn1ccc([C@@H](O)C(=O)C(C)=O)n1 1957087954 OAGZFDIALDOCQL-SECBINFHSA-N 196.206 0.095 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@H]1[C@@H]2CCO[C@@H]21 2297045668 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187.199 0.808 10 10 ACCE C[C@H](O)[C@@H](O)CNc1ccc(N)cc1 717341902 AMCFBLDEDXJWQA-XVKPBYJWSA-N 196.250 0.422 10 10 ACCE CCO[C@H](CN=[N+]=[N-])C(=O)OC 1775958475 CCOSTZOGVNWSTL-RXMQYKEDSA-N 173.172 0.875 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H](O)CF)C1 1912171049 FWJRUYGNTLJSRM-RQJHMYQMSA-N 188.206 0.701 10 10 ACCE C[C@H](O)CN1CC[C@@H](N=[N+]=[N-])C1 1912175977 SQXNLYPKMDTSKN-NKWVEPMBSA-N 170.216 0.752 10 10 ACCE CCn1ccc(C(=O)C(C)=O)n1 1951587832 DJFNUROFFFYLAH-UHFFFAOYSA-N 166.180 0.675 10 10 ACCE C[C@H](CN)[C@@H](N)c1ccccc1O 1954772046 HVVUUZYEWIPTSF-GMSGAONNSA-N 180.251 0.987 10 10 ACCE Oc1cc2c(cc1O)[C@@H](O)CNC2 33506619 RNIMUEXSLJYHIE-VIFPVBQESA-N 181.191 0.234 10 10 ACCE in-man N/C=C1/C=CNC1=S 199149893 XMQMBTAFWFXAIU-ARJAWSKDSA-N 126.184 0.273 10 10 ACCE CO[C@@H]1O[C@H](C)C[C@H](N=[N+]=[N-])[C@H]1O 306534162 DIOMNNRTXXAKOW-XZBKPIIZSA-N 187.199 0.808 10 10 ACCE O=C1N[C@@H]2c3ncoc3C[C@@H]2/C1=C\O 379531618 YBIDAFSNBWHNKZ-RQXWQHBHSA-N 192.174 0.460 10 10 ACCE N=NNS(=O)(=O)C1=C=C=NS1 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0.032 10 10 ACCE CC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912157411 SQJYDVGVGHSNJW-ZCFIWIBFSA-N 154.173 0.918 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CC1(C)C 1929222475 YJGYAILRKIQVID-HTRCEHHLSA-N 170.208 0.552 10 10 ACCE CO[C@@H](CO)Cc1ccc(O)c(O)c1 1951473110 LNMQSWHVRLLPOR-MRVPVSSYSA-N 198.218 0.648 10 10 ACCE Oc1cc(CC2(O)CC2)cc(O)c1O 1951590905 GGESQHJHXYLJPX-UHFFFAOYSA-N 196.202 0.871 10 10 ACCE C[C@H](N)[C@H](O)Cc1ccc(O)c(O)c1 1951860141 NMVINTKAVLWKPH-IMTBSYHQSA-N 197.234 0.348 10 10 ACCE N[C@H](CCCO)c1cc(O)ccc1O 95659853 KZCUAKDWWMCECM-SECBINFHSA-N 197.234 0.870 10 10 ACCE CC(=O)CN=[N+]=[N-] 104373338 LLJHECWEERQANS-UHFFFAOYSA-N 99.093 0.886 10 10 ACCE [N-]=[N+]=NCC[C@@H]1OC(=O)N[C@@H]1CO 219199547 JTLKAHVQUNHUFO-UHNVWZDZSA-N 186.171 0.156 10 10 ACCE COC(=O)CNC(=O)OCN=[N+]=[N-] 238369702 ORTCWLYULFTTPU-UHFFFAOYSA-N 188.143 0.153 10 10 ACCE COc1cc(O)c(OC)c(O)c1O 238392970 AFSRELOTSNQPQG-UHFFFAOYSA-N 186.163 0.821 10 10 ACCE Oc1ccccc1[C@@H]1C[C@@H](O)CN1 257900495 OWAONXUGRNKVFJ-APPZFPTMSA-N 179.219 0.788 10 10 ACCE Cc1cc(C(=O)C(=O)O)cc(O)c1O 258106377 PGAKXBYSPKSQIX-UHFFFAOYSA-N 196.158 0.674 10 10 ACCE CC(=O)C(=O)[C@@H]1C[C@H]1C 306182331 VKHWXGQOSJHXHL-INEUFUBQSA-N 126.155 0.801 10 10 ACCE C[C@@H]1C[C@@H](O)CN(CCN=[N+]=[N-])C1 306976743 DLGWYDHIPAOCSW-HTQZYQBOSA-N 184.243 0.999 10 10 ACCE CO[C@@H]1C[C@H](O)[C@H](N=[N+]=[N-])[C@@H](C)O1 307303560 PNNUMSVTKFYARO-JRTVQGFMSA-N 187.199 0.808 10 10 ACCE CC(=O)C(=O)COCc1ncc[nH]1 388576952 BWLILUOWAJGCRF-UHFFFAOYSA-N 182.179 0.084 10 10 ACCE [N-]=[N+]=NC[C@@H](N)CCO 702606484 YZNQICKTWFHIFU-BYPYZUCNSA-N 130.151 0.006 10 10 ACCE CCNCc1cc(O)c(O)c(O)c1 1882917355 IVCQDKSXJIJNGE-UHFFFAOYSA-N 183.207 0.913 10 10 ACCE [N-]=[N+]=NCCN1C[C@H]2C[C@@]1(CO)CO2 1912204768 LIGKOUBJVXXMFQ-HTQZYQBOSA-N 198.226 0.132 10 10 ACCE Oc1ccc([C@@H]2NCC[C@@H]2O)c(O)c1 1952059658 ALSOXGAPLYINGW-WPRPVWTQSA-N 195.218 0.493 10 10 ACCE COC(=O)[C@H]1C[C@H](N=[N+]=[N-])CN1 34212676 QJWIOUAZOWOZDS-CRCLSJGQSA-N 170.172 0.200 10 10 ACCE CN1CCCN(CCN=[N+]=[N-])CC1 42415842 MDTXREMTAGRSTE-UHFFFAOYSA-N 183.259 0.934 10 10 ACCE CCC[C@H](O)[C@@H](N=[N+]=[N-])C(=O)OC 238263661 MGDQUCAAFIYWTA-NTSWFWBYSA-N 187.199 0.999 10 10 ACCE O=C1N[C@@H]2c3oncc3C[C@H]2/C1=C/O 238609077 HVNKITGQZRZRFW-SGTJQHQTSA-N 192.174 0.460 10 10 ACCE C[C@]1(O)C[C@H](O)[C@H](CN=[N+]=[N-])O1 306317883 ZFVARMPKBAXCCO-HCWXCVPCSA-N 173.172 0.155 10 10 ACCE CO[C@@H]1O[C@H]2CO[C@@H]1[C@H]2N=[N+]=[N-] 306809847 AQMTUSGIWRQIMG-UNTFVMJOSA-N 171.156 0.435 10 10 ACCE CNNCc1ccc(N(C)C)cc1 704698604 KFQZGZLISLMBRP-UHFFFAOYSA-N 179.267 0.977 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@H]1C1CC1 1883870304 GBBAZOZOFUCALQ-OYNCUSHFSA-N 182.219 0.552 10 10 ACCE NCC1(c2cc(O)c(O)c(O)c2)CC1 1951594112 ZROSLZKLZCKEGF-UHFFFAOYSA-N 195.218 0.794 10 10 ACCE CCON(CCN)CCCN=[N+]=[N-] 1954208797 SYEPMMRZTYBXEX-UHFFFAOYSA-N 187.247 0.899 10 10 ACCE [N-]=[N+]=NCCn1cncn1 42416077 VFARIPGSVIYHSO-UHFFFAOYSA-N 138.134 0.588 10 10 ACCE [N-]=[N+]=C1CCCC(=O)C1 62715148 GSEOMEFKRRJWNV-UHFFFAOYSA-N 124.143 0.800 10 10 ACCE NC[C@H](N)c1cccc(S)c1O 72200232 GSPOBFSUIXEGFB-LURJTMIESA-N 184.264 0.639 10 10 ACCE [N-]=[N+]=Cc1ccccn1 72230792 OLNVLUCMZRMIEE-UHFFFAOYSA-N 119.127 0.730 10 10 ACCE S=C1C=NCN=C1 100189743 CVJYWSNWPKHDOJ-UHFFFAOYSA-N 112.157 0.469 10 10 ACCE [N-]=[N+]=NCP(=O)(O)O 138947933 PWBQUZXKXDFESN-UHFFFAOYSA-N 137.035 0.432 10 10 ACCE Cn1nnnc1Cc1ccc(N)cc1 166067525 RIHZNOFJSLBLQX-UHFFFAOYSA-N 189.222 0.383 10 10 ACCE CONC(=O)CCc1ccc(N)cc1 167628141 PACCHNULLQJEMD-UHFFFAOYSA-N 194.234 0.879 10 10 ACCE C[C@@H](N)[C@@H](N)c1cc(O)ccc1O 307575343 KAHJSIYYVQFIQI-MLUIRONXSA-N 182.223 0.445 10 10 ACCE [N-]=[N+]=N[C@@H]1COC[C@@H]1n1ccnn1 307605532 YPOXYXVTHJJZKK-RITPCOANSA-N 180.171 0.528 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCCC[C@@H]1N 1929588852 DTQQIQUWKKKIQG-WCBMZHEXSA-N 199.250 0.167 10 10 ACCE CCN(CCN=[N+]=[N-])C1CNC1 1953757836 HCODGFFBCOLLKU-UHFFFAOYSA-N 169.232 0.590 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21 1953875541 MCJVIDYNOHYTOA-WHQQTDPMSA-N 182.219 0.552 10 10 ACCE 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[N-]=[N+]=NC[C@H]1O[C@](O)(CF)C[C@@H]1O 143053045 WIMYWNXWZPUFGV-JKUQZMGJSA-N 191.162 0.105 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O 196732711 LNONWVZLPFYVMS-VERZDPOYSA-N 184.159 0.470 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H]2O[C@H]1CC2=O 218502897 ZQIRVBVZRBBWEW-ZXEDONINSA-N 153.141 0.796 10 10 ACCE Nc1scc(O)c1C(=O)O 261294933 XOKBPLJSJUFRHH-UHFFFAOYSA-N 159.166 0.734 10 10 ACCE [N-]=[N+]=N[C@H]1CC/C=C/[C@H](CO)NC1=O 307024834 WOPSCKNASRPIPA-XANLBQBGSA-N 196.210 0.492 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2CSC[C@@H](O2)[C@@H]1O 307651721 MKMXKSVYRUDUSZ-KAZBKCHUSA-N 187.224 0.540 10 10 ACCE CCOc1c#cnc(NN=N)n1 885274970 JMIBJDKPWQFTJG-UHFFFAOYSA-N 165.156 0.834 10 10 ACCE CO[C@](C)(CN)c1cccc(O)c1O 1535735360 ZZJMDPOMSYTIDQ-SNVBAGLBSA-N 197.234 0.918 10 10 ACCE COc1cc(CCON)cc(O)c1O 1535812019 PXTDBPMODPCMEP-UHFFFAOYSA-N 199.206 0.539 10 10 ACCE COC(=O)C[C@H](C)N1CC(N=[N+]=[N-])C1 1912145297 FQUYVCJKYNKEFR-LURJTMIESA-N 198.226 0.933 10 10 ACCE 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10 10 ACCE C[C@H](O)[C@@H](N)c1cccc(N)c1O 238466975 GTLMMUWJBXJWJV-YLWLKBPMSA-N 182.223 0.355 10 10 ACCE OCC[C@@H]1CNCc2c(O)cccc21 257909501 ZZKCSLJLYKSKAI-MRVPVSSYSA-N 193.246 0.961 10 10 ACCE C/C=C(/C)C(=O)OCC(=O)C(C)=O 379402174 MLTCFJJKXUHJEP-XQRVVYSFSA-N 184.191 0.654 10 10 ACCE Nc1ccc(N[C@H]2CCNC2=O)cc1 606263574 XODAQPHZEVLGGE-VIFPVBQESA-N 191.234 0.569 10 10 ACCE COCc1cc(CN)cc(O)c1O 642879584 VDJOXLLAEOUGGZ-UHFFFAOYSA-N 183.207 0.703 10 10 ACCE O=C1CCSCCC1=O 1616184378 AZMFDRSPHGGVNG-UHFFFAOYSA-N 144.195 0.652 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)c2cc[nH]n2)C1 1912194023 IJSCQTYKVTWOCK-UHFFFAOYSA-N 192.182 0.544 10 10 ACCE [N-]=[N+]=NCCN1CC[C@@H]2CCN[C@H]2C1 1957244468 PQMTUSINRGRUBG-IUCAKERBSA-N 195.270 0.981 10 10 ACCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CCO 2209530945 YMTPKEYVFBVGME-NKWVEPMBSA-N 198.226 0.716 10 10 ACCE Nc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3N)cc1 2297293454 JIAWVDYHSBHNEE-BKDNQFJXSA-N 189.262 0.805 10 10 ACCE N[C@H](CCO)c1ccc(F)cc1O 44236101 ILXAPGNUCMRNRZ-MRVPVSSYSA-N 185.198 0.914 10 10 ACCE O=Cc1cc2c(c(O)c1O)OCC2 82396807 HABQGQHGZWBJRX-UHFFFAOYSA-N 180.159 0.845 10 10 ACCE COC[C@@H](C)OC(=O)CN=[N+]=[N-] 108412558 QMKPWZBLBMRCCF-RXMQYKEDSA-N 173.172 0.875 10 10 ACCE CCOC(=O)C1(NCCN=[N+]=[N-])CC1 233678234 OCBSFOARTXZOHY-UHFFFAOYSA-N 198.226 0.982 10 10 ACCE CN(C)CCOC(=O)CN=[N+]=[N-] 238310595 SDALHXSZFYMLSR-UHFFFAOYSA-N 172.188 0.402 10 10 ACCE COC[C@@H](N)c1c(O)cccc1O 238375639 NSPUPIPBIGTSNZ-ZCFIWIBFSA-N 183.207 0.744 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@H](O)C[C@H](O)C1 306311387 COGSINMHIAVABB-STNDOWJSSA-N 157.173 0.571 10 10 ACCE CC(=O)C(=O)CC(=O)C1CCC1 725258431 YPLQBBGKRCKURL-UHFFFAOYSA-N 168.192 0.904 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1ccncn1 1535735370 ICLNPAFMDYTVHA-LURJTMIESA-N 165.156 0.820 10 10 ACCE C[C@@H]1CNC(=O)CN1CCN=[N+]=[N-] 1882315509 LCBNOEZNAZLVPR-ZCFIWIBFSA-N 183.215 0.117 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2OC(=O)N[C@@H]2C1 1884553471 IVKPIMTWJCOBFL-RITPCOANSA-N 197.198 0.089 10 10 ACCE CC(=O)C(=O)[C@H](O)c1cnc(C)s1 1929162662 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[N-]=[N+]=N[C@@H]1CCCNC1=O 163481537 HNKYIWOVNUHXPW-SCSAIBSYSA-N 140.146 0.575 10 10 ACCE CON(C)C(=O)[C@](C)(CO)N=[N+]=[N-] 197266888 QPMMWCHIRYCPTH-LURJTMIESA-N 188.187 0.068 10 10 ACCE CC[C@H](O)[C@@H](CCO)N=[N+]=[N-] 238310518 MAGURYIVCNWXNT-RITPCOANSA-N 159.189 0.819 10 10 ACCE C[C@@]1(c2ccccc2O)C[C@H](O)CN1 259097124 YPZWDWFXRVSKGV-KWQFWETISA-N 193.246 0.962 10 10 ACCE CC1=C([C@@H](O)CNN=N)N=C=C=N1 885367196 DYTJPWZGBWPWTL-LURJTMIESA-N 179.183 0.024 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1cc[nH]n1 1535843747 BRMZGNNZHIITQG-YFKPBYRVSA-N 153.145 0.753 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)Cc1ccco1 1918966992 CBEHKZNCLYFYPW-JTQLQIEISA-N 196.202 0.731 10 10 ACCE CO[C@H](CO)c1cccc(O)c1O 1951474367 ZTMDCRWQUXGYOB-MRVPVSSYSA-N 184.191 0.778 10 10 ACCE CC(=O)C(=O)C1CCC(O)CC1 1951498921 BVNQVNQSWCWRSP-UHFFFAOYSA-N 170.208 0.696 10 10 ACCE C[C@H](O)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209520087 OCSLXEFCGSNFQR-RRKCRQDMSA-N 198.226 0.715 10 10 ACCE Oc1ccc2c(c1O)CNCC2 5784452 KIULDTBFEAIZCP-UHFFFAOYSA-N 165.192 0.744 10 10 ACCE Oc1cccc(N2CCOCC2)c1O 34216688 ABOADTAXICLDMU-UHFFFAOYSA-N 195.218 0.934 10 10 ACCE CCNC(=O)c1cc(O)c(O)c(O)c1 40892005 XOKXMJMMRXJDJI-UHFFFAOYSA-N 197.190 0.553 10 10 ACCE CS(=O)(=O)CCCN=[N+]=[N-] 42416556 VHHZOVYXLWWHAS-UHFFFAOYSA-N 163.202 0.731 10 10 ACCE O=C1O[C@H]2C=CC[C@H]2/C1=C/O 100210224 QLKSEXJFLVWAOY-MBZKLQCLSA-N 152.149 0.930 10 10 ACCE CCCCNC(=O)NC(=O)CN=[N+]=[N-] 104702565 LYXMDBYNMVYRTC-UHFFFAOYSA-N 199.214 0.923 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2CC(=O)O[C@H]2[C@@H]1O 212714274 UITPYLSMJQNOFN-PFFCINGUSA-N 183.167 0.362 10 10 ACCE ONCc1cc2c(cc1O)COC2 258086516 WIFFTZDVCIXSAG-UHFFFAOYSA-N 181.191 0.901 10 10 ACCE COC(=O)[C@@H]1CC[C@@H](O)[C@H]1N=[N+]=[N-] 306239284 NJQWQXAIWFQCTB-PBXRRBTRSA-N 185.183 0.609 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](C(N)=O)C1 306327433 XQALFHJVBSFRNS-ZXZARUISSA-N 140.146 0.561 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]1CN2 1881031048 DFQRDKBQDUDLBR-BQBZGAKWSA-N 167.216 0.343 10 10 ACCE CCN(CCN=[N+]=[N-])C[C@@H](C)C(N)=O 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238448998 XUOBMPRVQPRXBX-WDSKDSINSA-N 189.291 0.896 10 10 ACCE N[C@@H](CCO)c1cc(O)cs1 238558977 ZOHDRLDTIHIQMV-LURJTMIESA-N 173.237 0.836 10 10 ACCE N[C@@H]1CCOc2ccc(O)c(O)c21 238623190 UYRLYOAKYZQWLR-RXMQYKEDSA-N 181.191 0.880 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@@H]1CCC(=O)O1 238707386 ZLJGVKSWKYTPGB-UHNVWZDZSA-N 171.156 0.363 10 10 ACCE N[C@H]1CNC[C@@H]1c1ccc(O)c(O)c1 306767325 CGDLPXHFABXGHL-SFYZADRCSA-N 194.234 0.112 10 10 ACCE [N-]=[N+]=NCCN1C[C@H](O)[C@@H](F)C1 1912204699 KSWWKEXLQUISHZ-WDSKDSINSA-N 174.179 0.311 10 10 ACCE C[C@H]1C[C@@]1(N)c1c(O)cc(O)cc1O 1951730290 BELPXSYJPUMBJI-RRAGMBSWSA-N 195.218 0.997 10 10 ACCE Oc1ccc([C@@]23CNC[C@H]2C3)cc1O 1952606162 CDAPVRQRNMEXII-LDYMZIIASA-N 191.230 0.959 10 10 ACCE CC[C@H]1CCC(=O)C1=O 409322 RRVYBPVLSILURP-YFKPBYRVSA-N 126.155 0.945 10 10 ACCE endogenous,in-man CC(=O)NCCCN=[N+]=[N-] 39471140 IOHNUYAUYKRLEF-UHFFFAOYSA-N 142.162 0.823 10 10 ACCE CC1CC(=O)C(=O)C(=O)C1 196228576 WQYNMAXXZYTOLG-UHFFFAOYSA-N 140.138 0.124 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@H]1CCOC1 229679594 PZFKFZYMTOLNDS-NTSWFWBYSA-N 157.173 0.694 10 10 ACCE COCC(=O)NCCCCN=[N+]=[N-] 231730594 DLGIYGXWDJJYSV-UHFFFAOYSA-N 186.215 0.840 10 10 ACCE Cc1cccc(O)c1[C@H](N)CN 238536899 SQWJDCBITKBQQV-SSDOTTSWSA-N 166.224 0.659 10 10 ACCE [N-]=[N+]=NC[C@H](O)[C@@H](N)C1CC1 1880251736 FWESUGOCPKXCBO-WDSKDSINSA-N 156.189 0.395 10 10 ACCE C[C@H]1CNC(=O)CN1CCN=[N+]=[N-] 1882315508 LCBNOEZNAZLVPR-LURJTMIESA-N 183.215 0.117 10 10 ACCE CO[C@@H](C)CC(=O)N1CC(N=[N+]=[N-])C1 1885387444 ITXCSIGXMUDMKY-LURJTMIESA-N 198.226 0.933 10 10 ACCE Nc1ccc(CNC2CC(O)C2)cc1 1929711441 UTWCEFVJYMEXHG-UHFFFAOYSA-N 192.262 0.882 10 10 ACCE COC(=O)[C@@H](N)c1c(C)cccc1O 1955543769 IDUULJMZAFBSBB-VIFPVBQESA-N 195.218 0.873 10 10 ACCE CNC[C@H]1OCc2c1ccc(O)c2O 29488440 BUFNZFOZGNITQB-SECBINFHSA-N 195.218 0.889 10 10 ACCE CCCN1NC(=O)C2(CCCC2)C1=O 34414951 LLKZGKFRWWPVIV-UHFFFAOYSA-N 196.250 0.830 10 10 ACCE C[C@H](O)CN(C)CCCN=[N+]=[N-] 51839769 RZTSKMUOVFMEDD-ZETCQYMHSA-N 172.232 0.999 10 10 ACCE CNCC(=O)c1cccc(O)c1O 59703594 XVKBFDITLFLVON-UHFFFAOYSA-N 181.191 0.500 10 10 ACCE CO[C@@H]1C=C[C@](CCCO)(OC)O1 219654724 VDYICCGKEDKSFK-DTWKUNHWSA-N 188.223 0.661 10 10 ACCE CO[C@H]1OCC(CN=[N+]=[N-])=C[C@H]1O 221453592 MFESZNZORXHFJR-RQJHMYQMSA-N 185.183 0.587 10 10 ACCE CO[C@@H]1C[C@@H](N=[N+]=[N-])CO[C@H]1CO 307187550 PPTKPQDBQJCNPX-QYNIQEEDSA-N 187.199 0.462 10 10 ACCE CN(CCN=[N+]=[N-])CCC(N)=O 382065963 QELUULVIDCRRTR-UHFFFAOYSA-N 171.204 0.104 10 10 ACCE COC[C@H](O)Cc1ccc(N)cc1 696526959 OQVDFSTWFRCIBB-SNVBAGLBSA-N 181.235 0.819 10 10 ACCE CO[C@@H](CN)[C@H](N)c1ccccc1O 1893545636 GOFMNWLXPYAKCF-VHSXEESVSA-N 196.250 0.366 10 10 ACCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2COC[C@H]2O)C1 1912207144 KBQRRXINBCENOG-BWZBUEFSSA-N 198.226 0.131 10 10 ACCE CC(=O)C(=O)[C@]1(O)CC[C@@H](CCN)C1 1933934290 ZABXQFWAEWXZES-WPRPVWTQSA-N 199.250 0.025 10 10 ACCE O=C1CN[C@@H](c2ccc(O)cc2O)C1 1951947021 DTXWBNDFFXTXCG-SECBINFHSA-N 193.202 0.701 10 10 ACCE Oc1c(F)cccc1[C@H]1NCC[C@H]1O 1952072252 RFJHXZYYSVTEMA-RKDXNWHRSA-N 197.209 0.927 10 10 ACCE [N-]=[N+]=NCCn1cc(N)cn1 1953325524 ZBNWBAXBRPREMT-UHFFFAOYSA-N 152.161 0.776 10 10 ACCE [N-]=[N+]=NC[C@H](O)CN1CCCC1=O 1953984793 LJNCDUYBPCNRBS-LURJTMIESA-N 184.199 0.280 10 10 ACCE [N-]=[N+]=NCCCN1CCCNCC1 1954207601 YEKNFYRIAQVBRI-UHFFFAOYSA-N 183.259 0.982 10 10 ACCE N=C(N)NCCc1ccc(O)c(O)c1 24798 GVYDLYSNMDYZOP-UHFFFAOYSA-N 195.222 0.123 10 10 ACCE CNC(=O)CNc1ccc(N)cc1 37224885 KTSLMPOXHBTLOH-UHFFFAOYSA-N 179.223 0.427 10 10 ACCE NCc1c(O)ccc([N+](=O)[O-])c1O 44236458 UYPGUQWKOFZMCH-UHFFFAOYSA-N 184.151 0.465 10 10 ACCE CCC(=O)C(=O)CCCC(=O)O 82186185 PPRBNLJNYKURMV-UHFFFAOYSA-N 172.180 0.790 10 10 ACCE COCCOC(=O)CN=[N+]=[N-] 108412537 IZEUCQAQBSGBOW-UHFFFAOYSA-N 159.145 0.486 10 10 ACCE CC1=C[C@H]2C[C@H]1C(=O)C2=O 111346118 LWIMKODBKWRWJV-NTSWFWBYSA-N 136.150 0.721 10 10 ACCE C[C@@H]1[C@@H](CN=[N+]=[N-])O[C@@H](O)[C@@H]1O 149199177 YIZJYKKCOVLWHM-KVTDHHQDSA-N 173.172 0.011 10 10 ACCE NCc1ccc(O)c(F)c1O 213739871 UCEKBGWPPDCFDZ-UHFFFAOYSA-N 157.144 0.696 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@H]1C=CCO1 214231283 LQPLJXJQEMWIFD-PHDIDXHHSA-N 155.157 0.613 10 10 ACCE NOCCc1c(F)ccc(O)c1O 257976987 DHUUAVRWCUCCOY-UHFFFAOYSA-N 187.170 0.670 10 10 ACCE CC(=O)C(=O)Cn1nc(C)nc1C 306352177 YRZNZFXFSRLJBD-UHFFFAOYSA-N 181.195 0.053 10 10 ACCE C[C@]1(N)C(=O)Nc2cccc(O)c21 713747435 HTHGDMWCLNGFKE-SECBINFHSA-N 178.191 0.518 10 10 ACCE [N-]=[N+]=NC[C@H]1CCS(=O)(=O)C1 1536219832 PLJNWLXEVAEWNU-RXMQYKEDSA-N 175.213 0.731 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@@H]1C(C)C 1883904329 ZTKWOSXLTJWIDV-NQMVMOMDSA-N 184.235 0.798 10 10 ACCE NCc1ccc2c(c1)CCN2CCO 1888098575 GKKMLPSAHCBKRQ-UHFFFAOYSA-N 192.262 0.500 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CCCCO1 1929195051 CLSPJKHWQASPAO-VXNVDRBHSA-N 186.207 0.075 10 10 ACCE C[C@H]1C[C@]1(N)c1c(O)cc(O)cc1O 1951730292 BELPXSYJPUMBJI-XUOSJQGZSA-N 195.218 0.997 10 10 ACCE CC(=O)[C@@H](N)c1cc(O)ccc1O 1951951361 HIBUOAIABSWGAO-SECBINFHSA-N 181.191 0.687 10 10 ACCE CO[C@H]1C=C[C@](OC)(C(C)=O)O1 32157346 IPLCFGNLLUIEAI-HTQZYQBOSA-N 172.180 0.477 10 10 ACCE O=C(O)c1ccc(O)c(O)c1F 32303108 QVCKWFKEKPOSQC-UHFFFAOYSA-N 172.111 0.935 10 10 ACCE COC(=O)/C(Cl)=C\O 206170381 BHYLEVRLMDNRON-NSCUHMNNSA-N 136.534 0.798 10 10 ACCE S=C1C[C@H]2NC(=S)N[C@@H]2C1 212156576 IBMUERLLGWZHEX-RFZPGFLSSA-N 172.278 0.365 10 10 ACCE CO[C@@H]1COc2cccc(O)c2[C@H]1N 238366347 KAKZXGITILKCEM-SCZZXKLOSA-N 195.218 0.799 10 10 ACCE Oc1ccc(OC[C@H]2CO2)cc1O 238728320 WPOJDPTZLKTOCE-ZETCQYMHSA-N 182.175 0.875 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2O[C@@H]3O[C@H]1[C@@H]1[C@H]2[C@H]1O3 306357795 XPIPIEHKTFSQNO-MINWRJBDSA-N 181.151 0.391 10 10 ACCE COc1cccc(CNN)c1O 307376378 BRWPZUOZZCVPHU-UHFFFAOYSA-N 168.196 0.364 10 10 ACCE CN(CCN=[N+]=[N-])CC[S@@](C)=O 399927691 IQLNNVOQRAXAJL-GFCCVEGCSA-N 190.272 0.607 10 10 ACCE COc1cc(NN)cc(O)c1O 1535809271 QFOXZKJGTFKAFG-UHFFFAOYSA-N 170.168 0.392 10 10 ACCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]2[C@H]1CN 1896395278 KQQBCSRUXAHDFB-DJLDLDEBSA-N 195.270 0.966 10 10 ACCE CCn1ccnc1C(=O)C(C)=O 1951572126 PYPBPUGOYIDEEV-UHFFFAOYSA-N 166.180 0.675 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])CC[C@@H]1N 1954207564 XOKQFKWFVFZTST-YUMQZZPRSA-N 183.259 0.966 10 10 ACCE C[C@@H](O)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2209520078 OCSLXEFCGSNFQR-DSYKOEDSSA-N 198.226 0.715 10 10 ACCE Cc1nnc(CN=[N+]=[N-])n1C 42391372 ADJXJAJCGVACNE-UHFFFAOYSA-N 152.161 0.934 10 10 ACCE NCCCc1cc(O)c(O)cc1O 44279526 MRZZHFSRXTYAHK-UHFFFAOYSA-N 183.207 0.695 10 10 ACCE Cc1ccc(CO)c(O)c1O 211919910 WJXRNFSRXOWGCY-UHFFFAOYSA-N 154.165 0.899 10 10 ACCE O=C1N[C@@H]2c3cnoc3C[C@@H]2/C1=C/O 238610516 VOECTDVXTSLEMB-JQSFHYPVSA-N 192.174 0.460 10 10 ACCE C/C(=C\C(=O)O)N=NC(N)=O 334139169 BUJQLUTXGLGCNP-NVZPDWGSSA-N 157.129 0.506 10 10 ACCE CN(CCN=[N+]=[N-])C[C@@H](O)C1CC1 690141413 NZRGSCIBLDIKQI-MRVPVSSYSA-N 184.243 0.999 10 10 ACCE Cc1cc(O)c2c(c1)CC[C@]2(N)CO 713752090 AJABIIWYZCCVQM-NSHDSACASA-N 193.246 0.793 10 10 ACCE NCC1=S=NC/C1=C1/N=CCS1 725606556 GHOMFVUGKVEVNK-FNORWQNLSA-N 199.304 0.427 10 10 ACCE NC[C@@H]1C[C@@H]1c1ccc(O)c(O)c1O 1535832135 FGZJZWASAXFZFE-FSPLSTOPSA-N 195.218 0.866 10 10 ACCE NC[C@H]1C[C@@H]1c1cc(O)nc(O)c1 1952606423 FAXYQLKVYWOHME-RNFRBKRXSA-N 180.207 0.555 10 10 ACCE OC[C@@H]1C[C@@H]1c1ccc(O)c(O)c1O 1955751550 QSUWCRHDZFLEOF-FSPLSTOPSA-N 196.202 0.899 10 10 ACCE NC[C@H](N)c1cccc(C(=O)O)c1O 72200466 XAHJXLZHGGBZAX-ZETCQYMHSA-N 196.206 0.049 10 10 ACCE COC(=O)/C(C)=C\O 100274365 VFTATQXKBPNQQF-ARJAWSKDSA-N 116.116 0.621 10 10 ACCE C[C@@](O)(C(=O)O)c1cccc(O)c1O 144577517 IMHAJWJSTUDVSC-VIFPVBQESA-N 198.174 0.390 10 10 ACCE Cc1ccc([C@H](O)CN)c(O)c1O 213051762 GBASLJANGAYUBY-SSDOTTSWSA-N 183.207 0.398 10 10 ACCE CC[C@@](O)(CN)c1ccc(O)c(O)c1 238304653 LRUAEDKQSVIYOM-SNVBAGLBSA-N 197.234 0.654 10 10 ACCE COC(=O)[C@@H](NO)[C@H](C)N=[N+]=[N-] 238319759 VOTVTVMMYZRLFH-IMJSIDKUSA-N 174.160 0.206 10 10 ACCE N[C@@H](C(=O)O)c1cscc1O 238564472 ZKIYWAHTJAHDTN-RXMQYKEDSA-N 173.193 0.538 10 10 ACCE Nc1ccc([C@@H]2COCCN2)c(O)c1 238595259 OPFCOSDPMLUKKI-VIFPVBQESA-N 194.234 0.635 10 10 ACCE O=C1CC(=O)N(c2ccc(O)cc2)N1 238727810 YKIOFPAFZHJQFU-UHFFFAOYSA-N 192.174 0.160 10 10 ACCE CN1C(=O)CN(CCN=[N+]=[N-])C1=O 688952017 PIYTXPNDGLIDET-UHFFFAOYSA-N 183.171 0.191 10 10 ACCE [N-]=[N+]=NC[C@@H]1OC=C[C@H]1O 885228714 CUGGDOKGSWWFGP-UHNVWZDZSA-N 141.130 0.570 10 10 ACCE CCN(CCN=[N+]=[N-])C[C@H](O)CF 1887717117 GTKKXPLQHPCTIV-SSDOTTSWSA-N 190.222 0.949 10 10 ACCE [N-]=[N+]=NC1CN(CCCCO)C1 1912205721 PWQFMKVZPXLFQY-UHFFFAOYSA-N 170.216 0.753 10 10 ACCE CC(=O)C(=O)[C@@](C)(O)C1CSC1 1929248291 DNUMQMGDNIMFBN-QMMMGPOBSA-N 188.248 0.259 10 10 ACCE COc1cccnc1C(=O)C(C)=O 1951915437 LAWFPPBMXKJTOM-UHFFFAOYSA-N 179.175 0.862 10 10 ACCE [N-]=[N+]=NCCN1CC[C@H](CN)C1 1953758569 MNWZJDDVRABEJI-SSDOTTSWSA-N 169.232 0.577 10 10 ACCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@@H]1F 1963816267 GQUGQEVOFUVDGP-WHFBIAKZSA-N 172.163 0.771 10 10 ACCE C[C@@H](O)CN(C)CCCN=[N+]=[N-] 51839771 RZTSKMUOVFMEDD-SSDOTTSWSA-N 172.232 0.999 10 10 ACCE CC(=O)N1CCC(=S)[C@@H]1C(=O)O 56958399 LQGMTZRGCYNRAU-ZCFIWIBFSA-N 187.220 0.062 10 10 ACCE Cc1cc(O)c(O)cc1C(=O)CO 206379724 BKUMZZQSNNFMBU-UHFFFAOYSA-N 182.175 0.581 10 10 ACCE C[C@]1(N=[N+]=[N-])CCNC(=S)N1 238485775 XEGGHSZISOUXRK-YFKPBYRVSA-N 171.229 0.881 10 10 ACCE CCN(CN=[N+]=[N-])[N+](=O)[O-] 687749686 VZTCZUPUBSUWOS-UHFFFAOYSA-N 145.122 0.768 10 10 ACCE COC(=O)CCS(=O)(=O)N=[N+]=[N-] 1880976272 XKUSUMTYVGVQJH-UHFFFAOYSA-N 193.184 0.190 10 10 ACCE CN1CCC[C@@H]1C(=O)NCCN=[N+]=[N-] 1912178556 NOIVLQHMJCUNMU-SSDOTTSWSA-N 197.242 0.507 10 10 ACCE C[C@H](N)C(=O)Cc1ccc(O)c(O)c1 1951869035 PQUCJHYZIXBOTQ-LURJTMIESA-N 195.218 0.557 10 10 ACCE O=C1CN[C@@H](c2cc(O)ccc2O)C1 1951961006 FCXNKASADIMHMU-SECBINFHSA-N 193.202 0.701 10 10 ACCE CN(CCCN=[N+]=[N-])C1CNC1 1953750687 BWGXPNFSAICTQP-UHFFFAOYSA-N 169.232 0.590 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)COCC1=O 42416151 UVEUYFDMQKEVID-UHFFFAOYSA-N 198.182 0.072 10 10 ACCE CCC(CC)(NCCN=[N+]=[N-])C(N)=O 85224402 OZBCLABNYYYJMY-UHFFFAOYSA-N 199.258 0.930 10 10 ACCE C[C@H]1CCC(=O)C(=O)C1 100250527 PMVXNJKNQOPOLI-YFKPBYRVSA-N 126.155 0.945 10 10 ACCE CC(=O)[C@@H](N)c1c(O)cc(C)cc1O 104473593 AZCXGAGYILEMJR-SNVBAGLBSA-N 195.218 0.995 10 10 ACCE Nc1ncnc2cc(O)c(O)cc12 116550028 JRLDUNFQRXGIHT-UHFFFAOYSA-N 177.163 0.623 10 10 ACCE C[C@@H](N)c1ccc(N2CC(O)C2)cc1 145810184 WKEMLGSKQBEQID-MRVPVSSYSA-N 192.262 0.887 10 10 ACCE O=C/N=N/[C@H]1N=CC=CN1O 198784690 JYMSZKDFKIDYLH-NHMFUHOKSA-N 154.129 0.168 10 10 ACCE C[C@H]1O[C@@H](O)C[C@@H](N=[N+]=[N-])[C@@H]1O 212309308 BBVVQQKDDOWDEI-KVTDHHQDSA-N 173.172 0.153 10 10 ACCE CCSCC(=O)C(C)=O 238281517 JEOIZOIRFRGYEX-UHFFFAOYSA-N 146.211 0.898 10 10 ACCE OC[C@H]1CNCc2c(O)cccc21 257883270 MHAPSGPKKHBZSU-SSDOTTSWSA-N 179.219 0.571 10 10 ACCE COCO[C@@H]1C=CC[C@@H](N=[N+]=[N-])[C@H]1O 308342313 JPZMHWBGWAOQQV-BWZBUEFSSA-N 199.210 0.975 10 10 ACCE CCOCCSCC(=O)C(C)=O 379330799 YHYPCPHTZQEFMT-UHFFFAOYSA-N 190.264 0.914 10 10 ACCE O=C1N[C@@H]2c3cc[nH]c3C[C@@H]2/C1=C\O 379532400 ZOHVMLBFFGOJGQ-ACLHSPAVSA-N 190.202 0.800 10 10 ACCE C[C@@H](O)[C@@H](O)CNc1ccc(N)cc1 717341901 AMCFBLDEDXJWQA-XCBNKYQSSA-N 196.250 0.422 10 10 ACCE [N-]=[N+]=NC1CN(Cc2ccncn2)C1 1912170413 WSWRPMOHJCHWQF-UHFFFAOYSA-N 190.210 0.971 10 10 ACCE CC[C@@H](C)[C@](C)(O)C(=O)C(C)=O 1929113225 PQZILQSDRDIVKC-MUWHJKNJSA-N 172.224 0.942 10 10 ACCE Oc1cccc(F)c1[C@@H]1NCC[C@H]1O 1952063297 ASXQUBJHKRNGBE-PSASIEDQSA-N 197.209 0.927 10 10 ACCE CON(CCN=[N+]=[N-])[C@@H]1CCOC1 1954815145 UEIRDBOETNSXCJ-SSDOTTSWSA-N 186.215 0.949 10 10 ACCE C[C@H](NCCN)c1c(O)cccc1O 113603810 CEWRJAKDTIJMRQ-ZETCQYMHSA-N 196.250 0.707 10 10 ACCE COC(=O)[C@H](N=[N+]=[N-])C1(N(C)C)CC1 143122988 NXAIVEOXJWGUJQ-LURJTMIESA-N 198.226 0.933 10 10 ACCE N[C@H](c1cc(O)nc(O)c1)C1CC1 238573416 YJDNQNOMHDIKCK-VIFPVBQESA-N 180.207 0.903 10 10 ACCE O[C@H]1C=C[C@]2(CCCCO2)O1 238721030 BIJDGDKGDNCIBA-SFYZADRCSA-N 156.181 0.788 10 10 ACCE NCc1cc([N+](=O)[O-])c(F)cc1O 258136194 RYWUZYCSVBUGNM-UHFFFAOYSA-N 186.142 0.898 10 10 ACCE N[C@H]1CC(=O)c2c1ccc(O)c2O 713758733 ANGLBYBFDHWMGO-YFKPBYRVSA-N 179.175 0.684 10 10 ACCE N[C@@H]1C[C@H]1c1ccc(O)c(O)c1O 1535836484 UQSRTMJOONYGPQ-NTSWFWBYSA-N 181.191 0.618 10 10 ACCE Oc1ccc(F)cc1N=c1nn[nH][nH]1 1929959274 RVHPQCVTBQVIRA-UHFFFAOYSA-N 195.157 0.210 10 10 ACCE O=C1CC[C@H](C(=O)C(F)(F)F)C1=O 1932572927 AXATZWHVVHEQTN-VKHMYHEASA-N 194.108 0.666 10 10 ACCE Oc1c(F)cccc1[C@H]1NCC[C@@H]1O 1952072250 RFJHXZYYSVTEMA-DTWKUNHWSA-N 197.209 0.927 10 10 ACCE CC[C@@H]1CCC(=O)C1=O 5923283 RRVYBPVLSILURP-RXMQYKEDSA-N 126.155 0.945 10 10 ACCE endogenous,in-man Cc1ccc([C@H](N)CC(N)=O)c(O)c1 44253066 KRJJNCRQQVJZNH-MRVPVSSYSA-N 194.234 0.576 10 10 ACCE [N-]=[N+]=NCC(=O)NC(=O)c1ccc[nH]1 104702730 IKLDWDGLBGMUKH-UHFFFAOYSA-N 193.166 0.581 10 10 ACCE CCOC(=O)[C@@H]1CCC(=O)C(=O)C1 146753949 IAHILQOGKTVQOW-ZCFIWIBFSA-N 184.191 0.488 10 10 ACCE C[C@H](NCCO)c1cc(N)ccc1O 165373418 ANXRNQZIEUVYAM-ZETCQYMHSA-N 196.250 0.617 10 10 ACCE Oc1ccc(O)c(F)c1O 199003546 DWWOSNZJDVYSFF-UHFFFAOYSA-N 144.101 0.943 10 10 ACCE CCOC(=O)[C@@](C)(O)CN=[N+]=[N-] 222011094 YSPPEEOFZHJHDG-LURJTMIESA-N 173.172 0.611 10 10 ACCE CN1CC/C(=C\O)C1=O 238330343 WSPJAQMCVOGGJK-SNAWJCMRSA-N 127.143 0.290 10 10 ACCE C[C@](CO)(N=[N+]=[N-])[C@@H]1CO1 238480665 WLCUAZWTEGZHCE-CRCLSJGQSA-N 143.146 0.447 10 10 ACCE O=C1N[C@H]2c3conc3C[C@@H]2/C1=C/O 238610376 QEBZQZHGGZKYEO-XTXZSYGOSA-N 192.174 0.460 10 10 ACCE [N-]=[N+]=NCCNC(=O)COC1CCC1 716858547 DJEIOTBTKVNULW-UHFFFAOYSA-N 198.226 0.982 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@H]1C1CCC1 1877679645 ANGPHIWRPCZKCI-IQJOONFLSA-N 196.246 0.942 10 10 ACCE CC(=O)C(=O)[C@H](O)c1ccnc(C)c1 1929180155 PCYDSLUQRJXSKI-SNVBAGLBSA-N 193.202 0.582 10 10 ACCE CNC[C@@H](O)Cc1ccc(O)c(O)c1 1951519024 UUBNAVSCHCPRRW-QMMMGPOBSA-N 197.234 0.221 10 10 ACCE [N-]=[N+]=NCCN1CC2(CCC(=O)N2)C1 2209946805 GFKZHUQQGNZFCW-UHFFFAOYSA-N 195.226 0.261 10 10 ACCE C[C@@H](O)C(=O)Nc1ccc(N)cc1 36949433 LNTGSPAWEAINCQ-ZCFIWIBFSA-N 180.207 0.588 10 10 ACCE Nc1ccc(CCNCCCO)cc1 71428832 LUDBOOQZTHBHMV-UHFFFAOYSA-N 194.278 0.783 10 10 ACCE CNC(=O)NCc1ccc(N)cc1 125116981 FTSBIHWGHJPPFY-UHFFFAOYSA-N 179.223 0.698 10 10 ACCE [N-]=[N+]=N[C@H]1COCC[C@H]1O 159705892 HNVZTLHKKVHLSJ-CRCLSJGQSA-N 143.146 0.447 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])C1 238708322 PDHUDORGZMLMBS-BXKVDMCESA-N 198.186 0.860 10 10 ACCE COc1cccc(O)c1[C@H](N)[C@@H](C)N 306985329 WHLTZFBPLJLPES-LHLIQPBNSA-N 196.250 0.748 10 10 ACCE CO[C@H]1O[C@@H]2CO[C@H]1[C@@H]2N=[N+]=[N-] 307117067 AQMTUSGIWRQIMG-ZXXMMSQZSA-N 171.156 0.435 10 10 ACCE Cn1cc([C@H](O)CN=[N+]=[N-])nn1 715022315 NMMXBIXPHGYVHK-RXMQYKEDSA-N 168.160 0.159 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1CC[C@H](C)O1 1929192487 GZSGLOPSYYTSLK-MTQIGAJGSA-N 186.207 0.073 10 10 ACCE COc1ccncc1C(=O)C(C)=O 1951909511 PGXZJOKJWLTTLI-UHFFFAOYSA-N 179.175 0.862 10 10 ACCE COC[C@@H](O)c1cc(O)nc(O)c1 1952070597 LSIOENALWRIUCO-ZCFIWIBFSA-N 185.179 0.173 10 10 ACCE COc1cc(O)cc(O)c1O 113039704 VSDLFGSMYAHCKA-UHFFFAOYSA-N 156.137 0.812 10 10 ACCE C[C@H]1COC(=O)[C@@H]1N=[N+]=[N-] 210785037 HPJFPBKVOUWFCU-IUYQGCFVSA-N 141.130 0.858 10 10 ACCE CC(=O)O[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1O 238064622 TVYJBQDGYJEBED-QYNIQEEDSA-N 185.183 0.752 10 10 ACCE CC(C)(N)c1cc(C(N)=O)ccc1O 238147865 OUSNDDCOYWMIQN-UHFFFAOYSA-N 194.234 0.685 10 10 ACCE [N-]=[N+]=NC[C@H]1OC(=O)[C@H](N=[N+]=[N-])[C@H]1O 307022496 CWFJHYYBANENOV-JJYYJPOSSA-N 198.142 0.262 10 10 ACCE NNCc1cc([N+](=O)[O-])ccc1O 1535866157 HIEWYCLIBYEIEQ-UHFFFAOYSA-N 183.167 0.264 10 10 ACCE CO[C@@H](CN=[N+]=[N-])C(=O)O 1775958600 MGNOETLDUZXSOU-VKHMYHEASA-N 145.118 0.396 10 10 ACCE [N-]=[N+]=NC[C@@H](O)[C@H](N)C1CC1 1880251734 FWESUGOCPKXCBO-PHDIDXHHSA-N 156.189 0.395 10 10 ACCE [N-]=[N+]=NC1CCN(C=O)CC1 1912165539 MAULTTLHWZHESJ-UHFFFAOYSA-N 154.173 0.918 10 10 ACCE COCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912189005 SPBDLLLZWCIMBB-LURJTMIESA-N 184.199 0.544 10 10 ACCE NC1([C@H](O)c2cc(O)nc(O)c2)CC1 1952854949 BUWUTERLXLZRAK-MRVPVSSYSA-N 196.206 0.018 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)CNC1=O 42416031 LYVVEYQUXIFZGJ-UHFFFAOYSA-N 183.171 0.239 10 10 ACCE NC[C@H](N)c1cccc([N+](=O)[O-])c1O 72200514 MEJUFARNFJDBNN-LURJTMIESA-N 197.194 0.259 10 10 ACCE C[C@H](CN)N1C(=O)CSC1=S 82636502 ODPCSFORKXKTKT-SCSAIBSYSA-N 190.293 0.194 10 10 ACCE COCCCC(=O)NCCN=[N+]=[N-] 87438204 IKHDGADQYVYCIO-UHFFFAOYSA-N 186.215 0.840 10 10 ACCE Cc1ccc(O)c([C@@](C)(N)CO)c1 95758529 LHIGATILRWAXHS-JTQLQIEISA-N 181.235 0.867 10 10 ACCE NCC(CN)CCc1ccc(N)cc1 107534266 WOJIBWSRGZVKAR-UHFFFAOYSA-N 193.294 0.735 10 10 ACCE Cc1nc(=O)c2cc(O)c(O)cc2[nH]1 142065902 UFRYRAIHSWVIJF-UHFFFAOYSA-N 192.174 0.643 10 10 ACCE CC(=O)C=S(C)C 196599752 NTQLXGPUDLMKFM-UHFFFAOYSA-N 118.201 0.906 10 10 ACCE O=C/N=N/[C@@H]1N=CC=CN1O 198784665 JYMSZKDFKIDYLH-DESAVFHASA-N 154.129 0.168 10 10 ACCE Cc1ccc([C@@H](O)[C@@H](C)N)c(O)c1O 214019755 KTUWHHIJGICSND-MUWHJKNJSA-N 197.234 0.787 10 10 ACCE O=c1[nH]c(-c2ccc(O)c(O)c2)no1 236604831 OEAFGDRGOWDPBK-UHFFFAOYSA-N 194.146 0.441 10 10 ACCE N[C@@H](CO)c1cscc1O 238595634 UINOAVHEHKUJLZ-YFKPBYRVSA-N 159.210 0.446 10 10 ACCE Nc1ccc2c(c1O)[C@@H](N)CC2 238631111 BDKNIEIEJTXDCI-LURJTMIESA-N 164.208 0.920 10 10 ACCE [N-]=[N+]=N[C@H]1CCC2(OCCO2)[C@H]1O 238718280 JXUBJLVTPOONPF-WDSKDSINSA-N 185.183 0.563 10 10 ACCE CN(C)S(=O)(=O)CCCN=[N+]=[N-] 700077825 DEMSPHLJOGSGAR-UHFFFAOYSA-N 192.244 0.578 10 10 ACCE O=C1OCCC1=CO 1911603731 GGRJUIXFWSHXPX-UHFFFAOYSA-N 114.100 0.375 10 10 ACCE Oc1cc([C@]23CNC[C@H]2C3)cc(O)n1 1952902660 UIZQPTMZZJYJBD-XCBNKYQSSA-N 192.218 0.354 10 10 ACCE CN1CCN(CCN=[N+]=[N-])[C@@H]2C[C@H]21 1953945763 IWRSZWYLWGOSSH-HTQZYQBOSA-N 181.243 0.685 10 10 ACCE Cc1c(N)ccc(O)c1O 33611224 BZWJOZNPOSYQTJ-UHFFFAOYSA-N 139.154 0.988 10 10 ACCE CCOC(=O)[C@@H](N)c1ccccc1O 33992332 UAILGNAHGQZIDN-VIFPVBQESA-N 195.218 0.955 10 10 ACCE CO[C@H]1O[C@H]2CO[C@H]1[C@H]2N=[N+]=[N-] 306148282 AQMTUSGIWRQIMG-BXKVDMCESA-N 171.156 0.435 10 10 ACCE CC(=O)C(=O)[C@]1(O)C[C@H]2OCCC[C@H]21 1929227545 KVZSKYUTFZAYTA-MRTMQBJTSA-N 198.218 0.075 10 10 ACCE O=C1CCOC2(CCOCC2)C1=O 1934147024 XSCJIABHSWTODR-UHFFFAOYSA-N 184.191 0.094 10 10 ACCE COC[C@H](N)Cc1cccc(O)c1O 1951724801 PFWCROLSVBEAFS-MRVPVSSYSA-N 197.234 0.614 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 1954077720 HZFAFPDPXDXCQT-WHQQTDPMSA-N 182.219 0.552 10 10 ACCE CC(=O)C(=O)[C@@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 1956936105 YXVJZBLWKMLFPP-CDLYGTGVSA-N 196.246 0.942 10 10 ACCE COCCNCc1cccc(O)c1O 41049375 CLZCCVLKFSVMCC-UHFFFAOYSA-N 197.234 0.834 10 10 ACCE CONCc1ccc(O)cc1O 75067628 OENKROFOMQWUGA-UHFFFAOYSA-N 169.180 0.749 10 10 ACCE Cc1ccc(CNC(=O)CN)c(O)c1 83342097 LDNPGIRGFQQSFQ-UHFFFAOYSA-N 194.234 0.276 10 10 ACCE CC1(C)[C@H]2CC[C@@]1(C(N)=O)C(=O)C2=O 100969927 GXFHXTZMRIHNAO-RRAGMBSWSA-N 195.218 0.046 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H]2O[C@H]12 141720594 NLPHAUCHWQDJLQ-UKFBFLRUSA-N 169.140 0.188 10 10 ACCE CCNC(=O)c1ccc(O)c(O)c1 196356009 VOTRDDPZRFTCPO-UHFFFAOYSA-N 181.191 0.848 10 10 ACCE CO[C@H]1COC[C@@H](CN=[N+]=[N-])O1 238360981 MWJDUPVEVJNSDR-PHDIDXHHSA-N 173.172 0.685 10 10 ACCE O=C1N[C@@H]2c3n[nH]cc3C[C@H]2/C1=C/O 238608817 FOUWENIXVIXAJS-CPLOYCOJSA-N 191.190 0.195 10 10 ACCE O=Cc1cc2c(c(O)c1O)OCO2 238726294 WGXQTQFXZGXMAB-UHFFFAOYSA-N 182.131 0.639 10 10 ACCE [N-]=[N+]=NCC(=O)NC[C@@H]1CCCNC1 404022138 ZJZSWWNAQDQVCS-SSDOTTSWSA-N 197.242 0.413 10 10 ACCE C[C@H](CN=[N+]=[N-])CS(C)(=O)=O 688886058 JUDMRJDJVFWDLL-RXMQYKEDSA-N 177.229 0.977 10 10 ACCE OCC1CN(Cc2ccccc2O)C1 1203556665 VWFFBICAUJDJMO-UHFFFAOYSA-N 193.246 0.816 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(Cc2nc[nH]n2)C1 1912171416 KDEJIGMUJJASCP-LURJTMIESA-N 193.214 0.689 10 10 ACCE COc1ccc(O)c([C@@H]2CC(=O)N2)c1 1951662470 FGFOTPVPDJXWFE-QMMMGPOBSA-N 193.202 0.962 10 10 ACCE CN(C)/N=N/N(C)C 1670582 PRGCYUAJTPIADR-AATRIKPKSA-N 116.168 0.392 10 10 ACCE COC(=O)[C@H](N)c1ccc(O)cc1O 31352129 HFLFOKWCOBDTCH-MRVPVSSYSA-N 197.190 0.271 10 10 ACCE COCO[C@H](CN=[N+]=[N-])C(=O)OC 34875592 FXRGVLWXPWQMHG-RXMQYKEDSA-N 189.171 0.459 10 10 ACCE CC(C)N[C@@H](CN=[N+]=[N-])C(N)=O 85621885 FVRLVXXGEQWKTC-YFKPBYRVSA-N 171.204 0.149 10 10 ACCE C[C@@](N)(CO)c1cc(F)ccc1O 95747745 KCEBPZFFQLLWOR-SECBINFHSA-N 185.198 0.698 10 10 ACCE CC1(C)O[C@@H](CO)[C@@H](CN=[N+]=[N-])O1 136543885 YGMHEVVRKCWTNX-RITPCOANSA-N 187.199 0.809 10 10 ACCE [N-]=[N+]=N[C@@H](C(=O)O)[C@@H]1CCOC1 238668755 GDMHWCDPUFIEPI-RFZPGFLSSA-N 171.156 0.786 10 10 ACCE N[C@H](CO)c1cc(O)c(F)cc1O 257970960 CTBQBRARWHVHJP-ZCFIWIBFSA-N 187.170 0.229 10 10 ACCE [N-]=[N+]=NC[C@H](O)C1(N)CCOCC1 1912163694 MSEXXVXIKNPBAY-LURJTMIESA-N 186.215 0.166 10 10 ACCE COC(=O)[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912207766 NLXSAAXMLCMHLG-BQBZGAKWSA-N 198.226 0.933 10 10 ACCE Oc1cc(CC2(O)CC2)cc(O)n1 1952220609 RMMKPSREIDNDJD-UHFFFAOYSA-N 181.191 0.560 10 10 ACCE CC(C)(CN)c1cc(O)nc(O)c1 1952302532 KAILTBQYIUTGHT-UHFFFAOYSA-N 182.223 0.729 10 10 ACCE Oc1cc([C@H]2CNCCO2)cc(O)n1 1952457346 JZQJQPZUQDTQAS-SSDOTTSWSA-N 196.206 0.154 10 10 ACCE C[C@@H]1CO[C@H](CN=[N+]=[N-])CN1 1953212264 HOVKYZIOFDFXNL-RITPCOANSA-N 156.189 0.674 10 10 ACCE Cc1ccc(O)c(O)c1N 2055136543 MTZMSOXMQYSEJZ-UHFFFAOYSA-N 139.154 0.988 10 10 ACCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC=O 2208941335 QDXDQSVFMUTXLI-RITPCOANSA-N 154.173 0.964 10 10 ACCE C[C@](O)(CO)CN=[N+]=[N-] 34753614 FYAHLFHDSUWISZ-SCSAIBSYSA-N 131.135 0.040 10 10 ACCE N[C@H](C(=O)O)c1ccc(S)cc1O 72191158 GXUQWKYBSBKLOF-ZETCQYMHSA-N 199.231 0.765 10 10 ACCE [N-]=[N+]=N[C@@H]1CCO[C@H]1CO 168533583 NNFFDSSCEMKCOP-UHNVWZDZSA-N 143.146 0.447 10 10 ACCE COC(=O)[C@@H](F)C[C@@H](O)CN=[N+]=[N-] 238360657 LEHHRFVOKPDZBP-UHNVWZDZSA-N 191.162 0.559 10 10 ACCE O=C1N[C@H]2c3n[nH]cc3C[C@@H]2/C1=C/O 238609965 FOUWENIXVIXAJS-MQBBZFKUSA-N 191.190 0.195 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](O)[C@H]2CO[C@H]1O2 306272693 XXPUCQCQXOZIDF-MOJAZDJTSA-N 171.156 0.171 10 10 ACCE CC[C@H](Nc1ccccc1N)C(N)=O 306350597 VRLGFVWBZKSUGF-QMMMGPOBSA-N 193.250 0.945 10 10 ACCE COC(=O)[C@H]1CC[C@H](N=[N+]=[N-])[C@H]1O 307507829 NETDMQYNXGKRCP-ZLUOBGJFSA-N 185.183 0.609 10 10 ACCE NN[C@H](c1ccccc1O)C1COC1 1884432638 AYNSOJLJRITRSB-JTQLQIEISA-N 194.234 0.543 10 10 ACCE CCOC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912194482 AOVIPMUGSPOSKO-ZETCQYMHSA-N 198.226 0.934 10 10 ACCE OCc1cc(O)c(O)cc1O 44198412 COYDXPLBTGKBCJ-UHFFFAOYSA-N 156.137 0.296 10 10 ACCE N=NNc1nc2cncnc2[nH]1 45820976 VPEGVCYAJQUVNU-UHFFFAOYSA-N 163.144 0.711 10 10 ACCE CCC[C@H](O)[C@H](O)[C@@H](CO)N=[N+]=[N-] 208195245 PNVWCFFFRZFVPA-DSYKOEDSSA-N 189.215 0.180 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@H](O)[C@@H]32 307069033 YVCAJHZYYLSRKE-ARYBSUEZSA-N 151.169 0.922 10 10 ACCE Nc1ccc(CNOCCO)cc1 1883010006 ICOIQRGGGMQRRW-UHFFFAOYSA-N 182.223 0.282 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@]2(CO)C1 1883941706 DYGFDEMPECOENX-YUMQZZPRSA-N 182.227 0.611 10 10 ACCE [N-]=[N+]=NCCN1CCn2nncc2C1 1886856388 JHRDNNIFMFRVEV-UHFFFAOYSA-N 193.214 0.404 10 10 ACCE [N-]=[N+]=NCCNC(=O)C12CC(CO1)C2 1965102752 STYIGJQDNUBSME-UHFFFAOYSA-N 196.210 0.592 10 10 ACCE [N-]=[N+]=NC1CN(CCOCCF)C1 2209397685 SRYOCSGXZHIKJS-UHFFFAOYSA-N 188.206 0.967 10 10 ACCE N[C@@H](CCO)c1cccc(CO)c1O 44233662 UIDGROZPZQEEGE-VIFPVBQESA-N 197.234 0.267 10 10 ACCE C[C@H](O)[C@@H](N)c1ccc(O)c(O)c1 95659216 CZQITZBXRIORGE-SSDLBLMSSA-N 183.207 0.478 10 10 ACCE C/N=N/C(C)(C)C(=O)NC 104698927 DFPQSBCFNOEWEV-CMDGGOBGSA-N 143.190 0.593 10 10 ACCE Cc1ccc2c(c1)C(=O)C(O)(O)C2=O 205344920 YSFDBEXXZHVVAE-UHFFFAOYSA-N 192.170 0.055 10 10 ACCE CN1Cc2c(O)cccc2C1=O 219359115 LBMCFGJIAOOYID-UHFFFAOYSA-N 163.176 0.978 10 10 ACCE COC(CNC(=O)CN=[N+]=[N-])OC 229009210 NTDQSDJCNLAZCU-UHFFFAOYSA-N 188.187 0.032 10 10 ACCE CONCc1c(O)ccc2c1OCO2 257951753 BAOPZVFVSSOUMQ-UHFFFAOYSA-N 197.190 0.772 10 10 ACCE CCOC[C@@H](NN)c1ccccc1O 1928480146 DYKVTNFESFNHJN-SECBINFHSA-N 196.250 0.933 10 10 ACCE CC(=O)C(=O)[C@H]1CSC(=O)C1 1951765049 CNEIBIXOWGRGBA-RXMQYKEDSA-N 172.205 0.424 10 10 ACCE CC(C)(O)[C@H](N)c1cc(O)nc(O)c1 1952073070 VLRYFLPOHHQADR-MRVPVSSYSA-N 198.222 0.264 10 10 ACCE [N-]=[N+]=NCCN1CC2(CNC2)C1 1953752608 WXMYZCVPJFWMDO-UHFFFAOYSA-N 167.216 0.202 10 10 ACCE CN(C)c1ccc([C@H](N)C(N)=O)cc1 37941158 IIVNZDDMPUSZLK-VIFPVBQESA-N 193.250 0.238 10 10 ACCE N#C/N=[N+](/[O-])c1ncccn1 100190251 CRMRTWJHEWRPNJ-MDZDMXLPSA-N 149.113 0.552 10 10 ACCE ONCc1cc(O)c(F)cc1O 257974497 IUUHWVXPUGZTCO-UHFFFAOYSA-N 173.143 0.716 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@@H](O)C[C@H]2CO[C@H]1O2 307213041 PTNQTKJJZQJGOS-AZGQCCRYSA-N 171.156 0.171 10 10 ACCE CN1CC[C@H](N(C)CCN=[N+]=[N-])C1 308329006 JCXWILHMYUEDEC-QMMMGPOBSA-N 183.259 0.933 10 10 ACCE NCC=Cc1cc(O)nc(O)c1 1951852147 BXKHDJFFCAKVHD-UHFFFAOYSA-N 166.180 0.465 10 10 ACCE NCC=CCc1ccc(O)c(O)c1O 1951966487 JSJKQXSOGBVCNS-UHFFFAOYSA-N 195.218 0.861 10 10 ACCE Oc1ccc([C@@H]2OCC[C@@H]2O)cc1O 1952157740 OTCILFBYRNQHPJ-WPRPVWTQSA-N 196.202 0.920 10 10 ACCE CN1CC2(CCN2CCN=[N+]=[N-])C1 2209367435 NDIXRPJXPYTENF-UHFFFAOYSA-N 181.243 0.687 10 10 ACCE NNCc1cccc(F)c1O 39125667 UMMGKHHAMAGFHT-UHFFFAOYSA-N 156.160 0.495 10 10 ACCE [N-]=[N+]=NCCCN1C(=O)CCC1=O 42416079 AIRIBAJFFCNLSZ-UHFFFAOYSA-N 182.183 0.836 10 10 ACCE COc1cccc([C@H](N)[C@@H](C)O)c1O 95659237 XTHDNBIWBSSVEP-HZGVNTEJSA-N 197.234 0.781 10 10 ACCE Nc1ccc(CC[C@H](O)CO)cc1 107534917 AOIJASVYFHJMFQ-JTQLQIEISA-N 181.235 0.555 10 10 ACCE CCOCCCNC(=O)CN=[N+]=[N-] 229009110 SJRYRORMVPEDAH-UHFFFAOYSA-N 186.215 0.840 10 10 ACCE CC[C@@H](O)[C@H](N)c1cc(O)ccc1O 306677530 ZBGLDORGDHWIOH-PSASIEDQSA-N 197.234 0.869 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@@H]2CNC[C@@H]2C[C@@H]1O 575457835 CINCRKNMBVUIKD-CWKFCGSDSA-N 182.227 0.656 10 10 ACCE C[C@@H]1C[C@H]1[C@H](NCCN=[N+]=[N-])C(N)=O 705276059 AWMHMUWTXOOEMZ-QYNIQEEDSA-N 197.242 0.396 10 10 ACCE CCN(CCN=[N+]=[N-])C(=O)C1(O)CC1 1888955206 MTHMUITYLFDDPC-UHFFFAOYSA-N 198.226 0.670 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)NC2CC2)C1 1912178870 PWQVIAHGADPLGI-UHFFFAOYSA-N 181.199 0.853 10 10 ACCE COCC[C@@H](NN)c1ccccc1O 1928480867 OKMQLZIBMKHLNF-SECBINFHSA-N 196.250 0.933 10 10 ACCE CC(=O)C(=O)CCN(C)C 1951569140 CPHGBJUHKDDMRJ-UHFFFAOYSA-N 143.186 0.096 10 10 ACCE CNNCc1c(C)cccc1O 1953512534 GVCBCABUCMVLHT-UHFFFAOYSA-N 166.224 0.925 10 10 ACCE O=C1C(=O)C2CCC(CC2)C1=O 5133506 BJVWZXQLAJZMJN-UHFFFAOYSA-N 166.176 0.514 10 10 ACCE NC[C@H](N)c1ccc(O)cc1O 44469324 HWZIZHSHPVGHNS-ZETCQYMHSA-N 168.196 0.056 10 10 ACCE N[C@@H](CO)c1ccc(F)c(F)c1O 72197644 PJIZNTYCWGPYRI-LURJTMIESA-N 189.161 0.663 10 10 ACCE Cc1ccc(O)c(CNC(=O)CN)c1 83342096 JQUGEOQMXKZYSL-UHFFFAOYSA-N 194.234 0.276 10 10 ACCE CCN[C@H](CN=[N+]=[N-])C(=O)OC 85622076 DSQOKITYYMVEEP-RXMQYKEDSA-N 172.188 0.448 10 10 ACCE N[C@@H](CCCO)c1cccc(O)c1O 95673867 JUHQAHPENCETHQ-QMMMGPOBSA-N 197.234 0.870 10 10 ACCE C[C@](N)(C(=O)O)c1c(O)cccc1O 104451058 VWVQZYFDSIFFRW-SECBINFHSA-N 197.190 0.356 10 10 ACCE C/C(O)=C1\C=CN(C)C1=O 204925855 NUORMPHOSPHAFV-WAYWQWQTSA-N 139.154 0.804 10 10 ACCE CNCc1cc2c(cc1O)OCCO2 212148009 LDMVUTSHSMAUGI-UHFFFAOYSA-N 195.218 0.883 10 10 ACCE CCO[C@@H]1C=C[C@@H](N=[N+]=[N-])[C@@H](CO)O1 238300375 RXAMNYBZXJIBJO-PRJMDXOYSA-N 199.210 0.975 10 10 ACCE C[C@@H]1CNC(=S)N[C@@H]1N=[N+]=[N-] 238394935 UZRLQYIJDLEYHF-QWWZWVQMSA-N 171.229 0.737 10 10 ACCE [N-]=[N+]=N[C@H]1CCCN(CCN)C1=O 238582359 DISRTSKJKQXXCW-LURJTMIESA-N 183.215 0.246 10 10 ACCE CCOC(=O)[C@@H]1C(=O)C(=O)C[C@H]1C 307349825 AKMGAOFVOVQVBP-VDTYLAMSSA-N 184.191 0.344 10 10 ACCE N[C@]1(CO)CCc2ccc(F)c(O)c21 713762218 KOAVDUWEKCOWQS-JTQLQIEISA-N 197.209 0.624 10 10 ACCE O=C1C[C@@H](c2cccc(O)c2O)N1 1951648420 NEILVZJLLXMXOG-LURJTMIESA-N 179.175 0.659 10 10 ACCE CN(CCN=[N+]=[N-])Cc1nc(=O)o[nH]1 1957065485 MPDMYVDXBDFLTF-UHFFFAOYSA-N 198.186 0.105 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)/C=C\C(=O)O)C1 2209527343 BELUXGNXXSRUIF-UPHRSURJSA-N 196.166 0.148 10 10 ACCE O=C(O)/C=C\c1cc(O)c(O)cc1O 59206154 GUOJZFSYQUIYCN-UPHRSURJSA-N 196.158 0.901 10 10 ACCE in-vitro CCC(=S)[C@H](N)C(=O)O 59750248 GSAJFWKHLRVDRB-BYPYZUCNSA-N 147.199 0.178 10 10 ACCE CCOC[C@@H](O)CN=[N+]=[N-] 68953229 MVOYVYUVNYYIHG-YFKPBYRVSA-N 145.162 0.694 10 10 ACCE C[C@@H]1OCC[C@@H]1C(=O)NCCN=[N+]=[N-] 86761152 SUEOESHEHMAHAU-BQBZGAKWSA-N 198.226 0.838 10 10 ACCE Cc1c(F)ccc(O)c1[C@@H](N)CN 104575464 LWLFKBVXEFGDIJ-ZETCQYMHSA-N 184.214 0.798 10 10 ACCE OCc1cc(C(F)F)c(O)nc1O 238717243 NTVNFYJCOVJBON-UHFFFAOYSA-N 191.133 0.923 10 10 ACCE C[C@@H]1O[C@H](CN=[N+]=[N-])[C@H]2O[C@H]12 306248487 UTTJHCZWJOMNEQ-SLPGGIOYSA-N 155.157 0.851 10 10 ACCE Cn1ccc([C@H](O)CN=[N+]=[N-])n1 1912189138 SCGRFGPUAYCFIJ-ZCFIWIBFSA-N 167.172 0.764 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H](O)C2(CC2)C1 1912205277 NXFSDPICSOUSKU-SSDOTTSWSA-N 182.227 0.753 10 10 ACCE CC(=O)C(=O)[C@]1(O)CCS[C@H]1C 1929138543 CDEITXJPEFYUND-XPUUQOCRSA-N 188.248 0.401 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCC[C@H](CN)C1 1929217001 JAXDKNFDBLFQEG-WCBMZHEXSA-N 199.250 0.025 10 10 ACCE CC(=O)C(=O)c1ocnc1C 1952150832 CMAJUSOHWIHYNK-UHFFFAOYSA-N 153.137 0.755 10 10 ACCE C[C@H]1CO[C@H](CN=[N+]=[N-])CN1 1953212265 HOVKYZIOFDFXNL-WDSKDSINSA-N 156.189 0.674 10 10 ACCE O=C1C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1953760314 BQLYMKLCZOQPOB-MLQRGLMKSA-N 166.176 0.322 10 10 ACCE OC[C@H]1NCCc2c1ccc(O)c2O 75793846 UNOVSOXUKXVRRW-MRVPVSSYSA-N 195.218 0.277 10 10 ACCE N[C@@H]1CCc2c1cc(O)c(O)c2O 104669637 KOVLRZJYHHJROO-ZCFIWIBFSA-N 181.191 0.749 10 10 ACCE COc1ccc(CNO)c(O)c1OC 258081645 IVTFPKPLYMPEIC-UHFFFAOYSA-N 199.206 0.888 10 10 ACCE CC(=O)C(=O)CC(=O)C(C)(F)F 300924521 UXDGNZIRNWFVSP-UHFFFAOYSA-N 178.134 0.759 10 10 ACCE CC[C@H](Nc1ccc(N)cc1)C(N)=O 307322102 XSXGXBYNLMLAGK-VIFPVBQESA-N 193.250 0.945 10 10 ACCE CN(CCN=[N+]=[N-])CC(F)(F)CO 1912177581 GBXRVXZYUBMZRJ-UHFFFAOYSA-N 194.185 0.856 10 10 ACCE O=C1CCN[C@H]1c1c(O)cccc1O 1951863419 NUOKMAWQGKTKNB-SNVBAGLBSA-N 193.202 0.701 10 10 ACCE C[C@@H](N)C(=O)Cc1ccc(O)c(O)c1 1951869036 PQUCJHYZIXBOTQ-ZCFIWIBFSA-N 195.218 0.557 10 10 ACCE COc1cc(C(=O)C(C)=O)ccn1 1951943820 RQCSYPXVOAXJNI-UHFFFAOYSA-N 179.175 0.862 10 10 ACCE N[C@@H]1CO[C@@H](c2ccc(O)c(O)c2)C1 1952214675 RKRMHPGYXAVFGT-OIBJUYFYSA-N 195.218 0.887 10 10 ACCE CC=CC(=O)NCCN=[N+]=[N-] 1963815637 AWKNJWQSXZSMOW-UHFFFAOYSA-N 154.173 0.989 10 10 ACCE [N-]=[N+]=NCC[S@](=O)CC1COC1 2241877265 PAFUDUYASDIMRX-LBPRGKRZSA-N 189.240 0.692 10 10 ACCE [N-]=[N+]=N[C@@H]1COCOC[C@H]1O 222183128 AWAXIDHPVZRKIS-RFZPGFLSSA-N 159.145 0.031 10 10 ACCE COC(=O)/C=C(\C)N=NC(N)=O 333671314 ONMXXZGVXROBAJ-HRUKGRKGSA-N 171.156 0.594 10 10 ACCE O=[N+]([O-])Cc1ccc(O)c(O)c1O 1535833727 RZDSJTWTXHAQCH-UHFFFAOYSA-N 185.135 0.580 10 10 ACCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2[C@H]1CO 1883800580 DBYDOBGPBXAXMN-XLPZGREQSA-N 182.227 0.609 10 10 ACCE [N-]=[N+]=NC1CN(CCC(=O)O)C1 1912197428 SZWOBONDGMUKHW-UHFFFAOYSA-N 170.172 0.456 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(CCO)C1 1912200857 MKPQJVSAESLCEO-LURJTMIESA-N 156.189 0.363 10 10 ACCE [N-]=[N+]=N[C@@H]1[C@H](O)C[C@H]2COC[C@@H]12 1934826170 YIGRNVBRKXSMMK-WNJXEPBRSA-N 169.184 0.693 10 10 ACCE N[C@@H]1CO[C@H](c2cc(O)nc(O)c2)C1 1952725342 ZKFVALSUZCFYSN-BQBZGAKWSA-N 196.206 0.282 10 10 ACCE Nc1ccc(NC(=O)C2(O)CC2)cc1 2208440969 KLGUULUWULQCMF-UHFFFAOYSA-N 192.218 0.732 10 10 ACCE Oc1ccc(CC2=NCCN2)cc1O 28258937 WCYFCPHBDDVLTE-UHFFFAOYSA-N 192.218 0.642 10 10 ACCE Cn1ccc2oc([C@@H](O)CN)cc21 82872388 KAPCKYDZAJJFOC-ZETCQYMHSA-N 180.207 0.763 10 10 ACCE OC[C@H]1NCCc2ccc(O)c(O)c21 83724295 KBHIRQGZKZPJPY-SSDOTTSWSA-N 195.218 0.277 10 10 ACCE [N-]=[N+]=NC([C@@H]1CO1)[C@@H]1CO1 137054775 SVCOLFUHFBUNJL-IMJSIDKUSA-N 141.130 0.463 10 10 ACCE CO[C@@H]1OCC[C@@H](N=[N+]=[N-])[C@@H]1O 238341546 AVMONFYEEUTMAX-NGJCXOISSA-N 173.172 0.419 10 10 ACCE CCC=C(C)COc1nnc(=N)[nH]n1 1887828516 WUBWVDWOFNRDHN-UHFFFAOYSA-N 195.226 0.414 10 10 ACCE [N-]=[N+]=NC1CCN(C(N)=O)CC1 1912151305 FWWZJVHBNLLYNC-UHFFFAOYSA-N 169.188 0.840 10 10 ACCE [N-]=[N+]=NC[C@H](O)C1(N)CCC1 1912167869 QEAJCQMMLKVBOB-YFKPBYRVSA-N 156.189 0.539 10 10 ACCE CN(C)C[C@@H](NN)c1ccccc1O 1928481128 RLJBKFQPQVQWAJ-SECBINFHSA-N 195.266 0.458 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]1C 1929193073 LPAVXTBIMCVMDU-YLWLKBPMSA-N 156.181 0.306 10 10 ACCE CN(CCN=[N+]=[N-])C1CCNCC1 1954206517 HOXGPQGKZFCGOW-UHFFFAOYSA-N 183.259 0.981 10 10 ACCE NCCCNCc1cccc(O)c1O 42290247 MPYOZMUVSDSARH-UHFFFAOYSA-N 196.250 0.536 10 10 ACCE CN1CCN(CCCN=[N+]=[N-])CC1 42415740 PQFZBTNABNSSLJ-UHFFFAOYSA-N 183.259 0.934 10 10 ACCE Cc1cnc(=O)n(CCN=[N+]=[N-])c1 63050284 KMJCLRAUKIMZMO-UHFFFAOYSA-N 179.183 0.862 10 10 ACCE C[C@H](O)c1cc(N)c(O)c(O)c1O 83165262 NSSFELBZLNGJLF-VKHMYHEASA-N 185.179 0.439 10 10 ACCE COc1cccc(O)c1[C@@](C)(N)CO 104452671 WBMCVXLSEYALLV-JTQLQIEISA-N 197.234 0.567 10 10 ACCE CCN1C(=O)C[C@H](N=[N+]=[N-])C1=O 135821450 CBSXWPUCMJCZBX-BYPYZUCNSA-N 168.156 0.444 10 10 ACCE CN(C)C(=O)[C@](C)(O)CN=[N+]=[N-] 136668691 KEDQZYWZKWSKOE-ZCFIWIBFSA-N 172.188 0.136 10 10 ACCE [N-]=[N+]=NC[C@@H]1CC(=O)N1 138982991 BERJVAKRHOWECS-VKHMYHEASA-N 126.119 0.185 10 10 ACCE Cc1ccc(C(N)=O)c(O)c1O 144024755 AQURQYQANAXCID-UHFFFAOYSA-N 167.164 0.505 10 10 ACCE NC1CN(Cc2cc(F)ccc2O)C1 236170617 BZEQOZKQKAYTNJ-UHFFFAOYSA-N 196.225 0.674 10 10 ACCE NCCc1ccc(O)c(CN)c1 257912892 APTWMMMMNQZTGT-UHFFFAOYSA-N 166.224 0.352 10 10 ACCE Oc1ccc(C2=NCCCN2)cc1O 306321768 LNQCRCGBBSTMHO-UHFFFAOYSA-N 192.218 0.838 10 10 ACCE Oc1cc2cc[nH]c2c(O)n1 306703336 GQMHADBRPCNJRP-UHFFFAOYSA-N 150.137 0.974 10 10 ACCE [N-]=[N+]=NCC1=NO[C@@H]2CNC[C@H]12 1881080797 HWIADLOSPIJWCF-INEUFUBQSA-N 167.172 0.271 10 10 ACCE CCOC(=O)C1(N=[N+]=[N-])CNC1 1887592706 LDBCZHGDBKHTBN-UHFFFAOYSA-N 170.172 0.202 10 10 ACCE CO[C@H](C(=O)O)c1cccc(O)c1O 1951521444 HNSXBOHRMJVRSQ-QMMMGPOBSA-N 198.174 0.870 10 10 ACCE N[C@@H](CF)c1cc(O)nc(O)c1 1952782762 WKGDYUFITBMZFB-YFKPBYRVSA-N 172.159 0.462 10 10 ACCE NC(=O)[C@H](N)c1c(O)cccc1F 1954510459 OHJFXBWVFMQUTA-SSDOTTSWSA-N 184.170 0.016 10 10 ACCE CC(C)C=C1C(=O)NC(=S)NC1=O 8569616 DAOPSVXZFWAJID-UHFFFAOYSA-N 198.247 0.100 10 10 ACCE CN(C)C(=O)c1scc(N)c1O 117024222 SWIKMSIJRGYUIT-UHFFFAOYSA-N 186.236 0.738 10 10 ACCE C[C@@H](N)C(=O)c1ccc(F)c(O)c1O 212195732 BUBBIZJICDBFRS-SCSAIBSYSA-N 199.181 0.767 10 10 ACCE CNC(=O)[C@H](C)CN(C)CCN=[N+]=[N-] 234374961 YSCXBRMBJPBCPR-SSDOTTSWSA-N 199.258 0.611 10 10 ACCE N[C@H]1COc2cc(O)cc(O)c21 238646056 UHZKBGOVVYJSIE-YFKPBYRVSA-N 167.164 0.490 10 10 ACCE NCC[C@]1(c2ccccc2O)CCN1 258048129 GUHYQNSSVXWBRO-LLVKDONJSA-N 192.262 0.930 10 10 ACCE N[C@@H]1COCc2cc(O)cc(O)c21 713772322 WFCMAALMBQILKI-SSDOTTSWSA-N 181.191 0.628 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC(C)(C)[C@@H]1C 1889373139 QFNHQYVDIRXAJV-OIBJUYFYSA-N 184.235 0.942 10 10 ACCE CC(=O)C(=O)[C@H](O)C1(N)CCCCC1 1890315419 DIDMDJZIRUWIDT-VIFPVBQESA-N 199.250 0.167 10 10 ACCE CC(=O)C(=O)[C@H](O)c1csnc1C 1918205396 VTAVNQUMZFSVTK-MRVPVSSYSA-N 199.231 0.643 10 10 ACCE COC(=O)c1ccc(C(=O)C(C)=O)o1 1951867512 JKJRPUHBRRDULB-UHFFFAOYSA-N 196.158 0.838 10 10 ACCE COc1ccc(C(=O)C(C)=O)nn1 1951933770 PNRCEBHIOIPQAF-UHFFFAOYSA-N 180.163 0.257 10 10 ACCE N[C@@H](CO)c1c(O)cccc1[N+](=O)[O-] 1952155387 LLYZGLXBOZNYMR-YFKPBYRVSA-N 198.178 0.293 10 10 ACCE CC(=O)C(=O)c1c(Cl)ncn1C 1952511534 PMLMHPXJJZPAFB-UHFFFAOYSA-N 186.598 0.845 10 10 ACCE [N-]=[N+]=NCCN1C(=O)[C@H]2CC[C@H]2C1=O 2241508710 WVUYJYKOYDFZLW-OLQVQODUSA-N 194.194 0.692 10 10 ACCE C[C@H]1SC(=S)N(CCN)C1=O 82636504 ZRNZCASXHIWNKP-SCSAIBSYSA-N 190.293 0.194 10 10 ACCE NC[C@H](O)CCc1ccc(N)cc1 107534812 RHELQBOZKDJRIH-SNVBAGLBSA-N 180.251 0.521 10 10 ACCE COCCN(CCO)CCN=[N+]=[N-] 124061113 HDKNRTFZNRQGTK-UHFFFAOYSA-N 188.231 0.237 10 10 ACCE [N-]=[N+]=NCCCn1ccc(N)nc1=O 196363863 HSDGNOJSOMIQFA-UHFFFAOYSA-N 194.198 0.526 10 10 ACCE Nc1cc(O)c2c(c1)CC[C@H]2N 238638821 XKBGBRBOVIKYAP-SSDOTTSWSA-N 164.208 0.920 10 10 ACCE CC[C@H](N)[C@H](N)c1cc(O)ccc1O 306679436 HQUXRKKLEQKZQK-WCBMZHEXSA-N 196.250 0.835 10 10 ACCE NC[C@H]1CCN1c1ccc(N)cc1 1883132690 DBGUGPQLVHTPLK-SNVBAGLBSA-N 177.251 0.806 10 10 ACCE CN(CCCN=[N+]=[N-])C(=O)CCO 1883280630 LDLVLBBOCVJNPY-UHFFFAOYSA-N 186.215 0.528 10 10 ACCE CCNC(=O)[C@H](C)N1CC(N=[N+]=[N-])C1 1912164604 CALWZMYOOAMHQW-LURJTMIESA-N 197.242 0.506 10 10 ACCE CC(=O)C(=O)[C@](C)(O)C1(Cl)CC1 1929185774 RNTVJBTYVICTAR-ZETCQYMHSA-N 190.626 0.667 10 10 ACCE C[C@@H](N)CN(C)CCN=[N+]=[N-] 1953340628 HIIUDPYAEYKQHV-ZCFIWIBFSA-N 157.221 0.576 10 10 ACCE C[C@H](OCCN=[N+]=[N-])n1ncnn1 39248255 WIEABOABBMAFIM-YFKPBYRVSA-N 183.175 0.519 10 10 ACCE COc1ccc(O)c([C@@H](N)[C@@H](C)O)c1 95672837 WUNCEGKIZNGEFI-LDWIPMOCSA-N 197.234 0.781 10 10 ACCE O=C1C(=O)[C@H]2CC23C[C@H]13 136655154 VESHFNBQQWPOLH-PYLGKDJCSA-N 122.123 0.164 10 10 ACCE OCCNc1ccccc1NCCO 137668803 JGEFGMPOSCYLDQ-UHFFFAOYSA-N 196.250 0.495 10 10 ACCE CCN(CC)C(=O)/N=N/C(N)=O 138568023 HEUNQJXHCNRMCH-CMDGGOBGSA-N 172.188 0.979 10 10 ACCE C[C@H]1NC(=O)[C@H]1N=[N+]=[N-] 219590849 ZJQBJVFDUNWFGW-GBXIJSLDSA-N 126.119 0.184 10 10 ACCE C[C@@H](CNO)N=[N+]=[N-] 238426685 XSOPEZRETZPVOD-VKHMYHEASA-N 116.124 0.664 10 10 ACCE Nc1ccc(N(C=O)CC(=O)O)cc1 238603745 VNHUAGOAAQAWJP-UHFFFAOYSA-N 194.190 0.316 10 10 ACCE N[C@@H]1COc2c(F)ccc(O)c21 238649221 JCEVBRWTUCAVML-RXMQYKEDSA-N 169.155 0.924 10 10 ACCE CCOC(=O)/C=C(\C)N=NC(N)=O 256086915 DZKJGHCQIBAZFI-MIWUCIRRSA-N 185.183 0.984 10 10 ACCE [N-]=[N+]=N[C@@H]1C=C[C@@H]2O[C@@H]2[C@H]1O 306724662 VIXAWQZAWIMSKR-VANKVMQKSA-N 153.141 0.363 10 10 ACCE CC(=O)C(=O)CSCCN(C)C 388494166 IULVPCDFVSEMKF-UHFFFAOYSA-N 189.280 0.439 10 10 ACCE [N-]=[N+]=NC[C@@H]1CCCN1CCO 1880797914 VNURIUDYGXOQQP-ZETCQYMHSA-N 170.216 0.753 10 10 ACCE C[C@H](O)C(=O)N(C)c1ccc(N)cc1 1885673719 OMJBXXYVXGNDSS-ZETCQYMHSA-N 194.234 0.612 10 10 ACCE [N-]=[N+]=NCCN1CC2(CC(O)C2)C1 1912158277 WFMXOGYJPKFLCH-UHFFFAOYSA-N 182.227 0.753 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]2C[C@@H]2C1 1917691631 CJRXVFIDYJGBKY-NQMVMOMDSA-N 182.219 0.696 10 10 ACCE CC(=O)C(=O)[C@@]1(O)CCCCC[C@H]1N 1929588850 DTQQIQUWKKKIQG-PSASIEDQSA-N 199.250 0.167 10 10 ACCE CC(=O)C(=O)C1(O)CC(F)(F)C1 1929645139 UEWUULQNBWHOGZ-UHFFFAOYSA-N 178.134 0.305 10 10 ACCE NC(=O)[C@@H](N)c1c(O)cccc1F 1954510460 OHJFXBWVFMQUTA-ZETCQYMHSA-N 184.170 0.016 10 10 ACCE O=C(O)CNCc1cccc(F)c1O 159151524 FWCYZQBKMNBXAL-UHFFFAOYSA-N 199.181 0.706 10 10 ACCE COC(=O)[C@H]1O[C@@H]1CN=[N+]=[N-] 165625710 YFZQAVZYXRLHHM-DMTCNVIQSA-N 157.129 0.237 10 10 ACCE CC(C)[C@H](N=[N+]=[N-])[C@H](O)CO 196531788 GILVPDPSTUFHIE-RITPCOANSA-N 159.189 0.675 10 10 ACCE CC(=O)OC[C@@H]1C[C@H](N=[N+]=[N-])C(=O)O1 238159239 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Oc1ccc([C@@H]2C[C@@H](O)CN2)cc1O 1952081875 UQMTVQUIOFJEQX-SFYZADRCSA-N 195.218 0.493 10 10 ACCE Oc1cccc([C@@]23CNC[C@@H]2C3)c1O 1952590844 UFVFJDRLWJRNPW-CPCISQLKSA-N 191.230 0.959 10 10 ACCE Cc1ccc([C@@](C)(N)C(=O)O)c(O)c1 104480946 AJIDYNNJVAVTGF-SNVBAGLBSA-N 195.218 0.959 10 10 ACCE CN[C@@H](CO)c1cc(O)c(O)c(O)c1 211772710 JNVHNGDWYWBXTI-LURJTMIESA-N 199.206 0.056 10 10 ACCE C[C@@](O)(CO)CCN=[N+]=[N-] 238467948 HAOMGFGMNGFMNV-YFKPBYRVSA-N 145.162 0.430 10 10 ACCE CNCC(=O)[C-]1C(C)=C=S=C1C 885436833 XRJZHVRLJXCNJH-UHFFFAOYSA-N 182.268 0.636 10 10 ACCE [N-]=[N+]=NC1CN(C(=O)c2cnco2)C1 1912182466 BTJRWIDKPOVVRN-UHFFFAOYSA-N 193.166 0.809 10 10 ACCE [N-]=[N+]=NCCCCN1C(=O)CNC1=O 1912199558 UOUAWTVSCCKCQJ-UHFFFAOYSA-N 197.198 0.629 10 10 ACCE CC[C@@](O)(C(=O)C(C)=O)C1CC1 1929191300 WPEQJPOVHBETNZ-VIFPVBQESA-N 170.208 0.696 10 10 ACCE C[C@H](N)[C@@H](O)c1cccc(O)c1O 1951841629 BPLDWZFUCZXOSV-YLWLKBPMSA-N 183.207 0.478 10 10 ACCE O=C1NCC[C@H]1c1ccc(O)c(O)c1 1951857446 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FYQNCDLFVBVSDS-QMMMGPOBSA-N 181.239 0.000 10 10 ACCE Oc1cccc(O)c1[C@@H]1NCC[C@H]1O 1952079584 OOBZWUUJSSKQHA-PSASIEDQSA-N 195.218 0.493 10 10 ACCE [N-]=[N+]=NCCN1CC2(CCNCC2)C1 1957247997 ZIYBDZQMQXVADZ-UHFFFAOYSA-N 195.270 0.982 10 10 ACCE C[C@H](NCC(N)=O)c1ccccc1O 21963676 JDVNCIFLYLSTJN-ZETCQYMHSA-N 194.234 0.528 10 10 ACCE Cc1cc(CN)cc(O)c1O 39059484 UINYPCNSRDBOKQ-UHFFFAOYSA-N 153.181 0.865 10 10 ACCE CC1=CC[C@@H]2/C(=C\O)C(=O)O[C@@H](O)[C@@H]12 153878661 ZCYFTOPOEYDXAI-JGAUWDMBSA-N 196.202 0.886 10 10 ACCE CCOC(=O)[C@@H](O)[C@@H](C)N=[N+]=[N-] 196825831 XZQQQKUVQOEFKJ-UHNVWZDZSA-N 173.172 0.609 10 10 ACCE Nc1cc(O)c2c(c1)OCC[C@@H]2N 238604107 MJFBPNYXJNFEHQ-LURJTMIESA-N 180.207 0.757 10 10 ACCE NC(=O)/N=N/N(O)c1ccc(N)cc1 238616056 OODVEBMOWXCNEE-ZHACJKMWSA-N 195.182 0.910 10 10 ACCE [N-]=[N+]=N[C@H]1[C@H]2CN3CC[C@H](O2)[C@@H]13 306151098 DBHRKAFVWRKTKR-VZFHVOOUSA-N 166.184 0.521 10 10 ACCE [N-]=[N+]=N[C@H]1CCN(C[C@H](O)CF)C1 1912171047 FWJRUYGNTLJSRM-NKWVEPMBSA-N 188.206 0.701 10 10 ACCE CN1Cc2c(O)cccc2[C@H](O)C1 14723157 BVGIYKRHRXZGIO-SNVBAGLBSA-N 179.219 0.871 10 10 ACCE in-vitro Nc1ccc(Cc2n[nH]c(=O)[nH]2)cc1 42040475 ISQODPULXQUZBS-UHFFFAOYSA-N 190.206 0.271 10 10 ACCE Cc1cc(O)c([C@H](N)CN)cc1C 72200145 IKDLIPLTWQJTOS-SECBINFHSA-N 180.251 0.968 10 10 ACCE CN(C)c1ccc([C@H](N)CO)c(F)c1 76135986 MOKJBLNORBNGPM-SNVBAGLBSA-N 198.241 0.884 10 10 ACCE COc1ccc(CNO)c(O)c1 82854126 HTZVYSWXYPFVDQ-UHFFFAOYSA-N 169.180 0.880 10 10 ACCE O=C1CC[C@@H]2O[C@H]2CCC1=O 196416654 ZMKWOIZGXGLGIC-YUMQZZPRSA-N 154.165 0.466 10 10 ACCE [N-]=[N+]=N[C@H]1C=C[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O 196665865 VYVHFQKYMBMIKC-JGWLITMVSA-N 196.170 0.636 10 10 ACCE N[C@@H](C(=O)O)c1c(O)cccc1F 220811322 VNOCFNKFGHDFOK-SSDOTTSWSA-N 185.154 0.616 10 10 ACCE Cc1cc(O)cc(O)c1[C@H](N)CO 238479125 XKTGDJZRBGYFQL-SSDOTTSWSA-N 183.207 0.398 10 10 ACCE Nc1cc(O)c2c(c1)C(=O)C[C@@H]2N 713773769 JUCIROGAAUODAC-LURJTMIESA-N 178.191 0.561 10 10 ACCE Cn1ccnc1C=C[C@@H]1CNCCO1 1899258489 QWRPEZYQSWKLKK-SECBINFHSA-N 193.250 0.422 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@@H]1C 1929213907 JHNORGSWWXFNAA-CVTKMRTPSA-N 156.181 0.161 10 10 ACCE CC(=O)C(=O)C1(O)C[C@H]2[C@H](C1)C2(C)C 1930265077 LGJMNUNGSUMHDD-YUMQZZPRSA-N 196.246 0.942 10 10 ACCE CC(C)(O)[C@H](N)c1ccc(O)cc1O 1951473246 WZQKVZAPDOZCAU-SECBINFHSA-N 197.234 0.869 10 10 ACCE NC1(Cc2cc(O)nc(O)c2)CCC1 1952375334 MKIZIVMWJVXCNO-UHFFFAOYSA-N 194.234 0.917 10 10 ACCE CNC1CN(CCN=[N+]=[N-])C1 1953341772 UJJIKHKOKDPQQH-UHFFFAOYSA-N 155.205 0.200 10 10 ACCE CNC[C@H]1CN(CCN=[N+]=[N-])CCO1 1957244101 MFLDMXCPBZSFIO-QMMMGPOBSA-N 199.258 0.217 10 10 ACCE C[C@@H](C/N=N/C[C@@H](C)C(=N)N)C(=N)N 34770400 UROBIWCNNCSPEE-RAHGCNMGSA-N 198.274 0.583 10 10 ACCE NC[C@H](N)c1cc2[nH]ccc2cc1O 72200354 YLWIODIHHXWSPV-QMMMGPOBSA-N 191.234 0.832 10 10 ACCE Oc1ccc(Oc2nnn[nH]2)cc1O 166745818 PLAXWPQQRIDXLI-UHFFFAOYSA-N 194.150 0.403 10 10 ACCE C[C@@H](N=[N+]=[N-])C(=O)NC(=O)CN=[N+]=[N-] 238408850 ZZKMZLHYKPKZFQ-GSVOUGTGSA-N 197.158 0.638 10 10 ACCE Oc1cc2[nH]c3[nH]nnc3c2cc1O 238701382 IPLYNVKZECMWPU-UHFFFAOYSA-N 190.162 0.850 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@H](O)CC(=O)C(=O)O 687762792 MHCOOPPZUSXEBR-QWWZWVQMSA-N 187.155 0.090 10 10 ACCE COc1cc(O)c2c(c1)C(=O)C[C@@H]2N 713760735 HMIYIJSUXUEUJO-ZETCQYMHSA-N 193.202 0.987 10 10 ACCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@@H]2CC[C@@H]2C1 1897462785 STFXUDUTNITSBM-PKIKSRDPSA-N 196.246 0.942 10 10 ACCE C[C@H]1CCN(CCN=[N+]=[N-])[C@@H]1C(N)=O 1912188640 QAWHWUOAUWEQNJ-BQBZGAKWSA-N 197.242 0.492 10 10 ACCE CN(C)CCCN1CC(N=[N+]=[N-])C1 1912201306 SCQMRZQABSIWJM-UHFFFAOYSA-N 183.259 0.933 10 10 ACCE C[C@@H](O)C1(c2cc(O)nc(O)c2)CC1 1952363334 SFTWQDHKSFGQTC-ZCFIWIBFSA-N 195.218 0.905 10 10 ACCE Oc1cccc([C@@]23CNC[C@H]2C3)c1O 1952590845 UFVFJDRLWJRNPW-HQJQHLMTSA-N 191.230 0.959 10 10 ACCE NC[C@H]1C[C@H]1c1cc(O)nc(O)c1 1952606424 FAXYQLKVYWOHME-RQJHMYQMSA-N 180.207 0.555 10 10 ACCE C[C@@H]1COCC(=O)N1CCN=[N+]=[N-] 1954178570 YIWPCYGAAWFQLU-ZCFIWIBFSA-N 184.199 0.544 10 10 ACCE N[C@@H]1CCc2c(ccc(O)c2O)[C@@H]1O 39212983 RJQPTDPYKKHYSV-APPZFPTMSA-N 195.218 0.405 10 10 ACCE CC[C@@H](C)N[C@H](CN=[N+]=[N-])C(N)=O 85622006 UMORGZJARWGZQM-PHDIDXHHSA-N 185.231 0.539 10 10 ACCE CC(=O)OC[C@H](O)[C@H](C)N=[N+]=[N-] 238459025 NWNVNLLKCKYBNE-NJGYIYPDSA-N 173.172 0.609 10 10 ACCE [N-]=[N+]=N[C@H]1CC[C@H]1O 238660683 FTEOHLCBBQBZIT-IUYQGCFVSA-N 113.120 0.820 10 10 ACCE CO[C@@H]1CO[C@@H](C(=O)O)[C@H]1N=[N+]=[N-] 307063699 PZFAHQIMKVREMP-MROZADKFSA-N 187.155 0.164 10 10 ACCE [N-]=[N+]=NC1CN(C(N)=O)C1 1912156666 PGHXXNVJYAAQJW-UHFFFAOYSA-N 141.134 0.060 10 10 ACCE CO[C@@H](C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912175824 QRSOGXAARHOUTR-NKWVEPMBSA-N 198.226 0.933 10 10 ACCE CC(C)CN1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1935175035 RUNMOVWQRCAXRY-HTQZYQBOSA-N 184.243 0.998 10 10 ACCE COc1cncc([C@H](CO)N=[N+]=[N-])n1 1951435058 ZZAUFPLTFUXGJD-LURJTMIESA-N 195.182 0.829 10 10 ACCE C[C@]1(c2ccc(O)cc2O)CC(=O)N1 1951853011 DGKNLMIFSKTMMD-SNVBAGLBSA-N 193.202 0.833 10 10 ACCE CN1CCN(CCCN=[N+]=[N-])C(=O)C1 1956858229 LLTTXBRWJAFHAY-UHFFFAOYSA-N 197.242 0.461 10 10 ACCE COc1ccc(O)c(CNCCN)c1 37712703 KEEIQJPHLLXBIQ-UHFFFAOYSA-N 196.250 0.449 10 10 ACCE CC(=O)OC/N=[N+](/C)[O-] 100897572 BELPJCDYWUCHKF-WAYWQWQTSA-N 132.119 0.099 10 10 ACCE in-vitro [N-]=[N+]=N[C@H](C(=O)O)[C@H]1CCOC1 215893412 GDMHWCDPUFIEPI-WHFBIAKZSA-N 171.156 0.786 10 10 ACCE COC(=O)[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H](O)C1 218969412 ZUHPYYPMHWSMQW-VQVTYTSYSA-N 199.210 0.999 10 10 ACCE [N-]=[N+]=N[C@@H]1C[C@H](C(=O)O)C[C@@H]1O 223083402 YVWZYTLNWIEBFR-LMVFSUKVSA-N 171.156 0.521 10 10 ACCE CO[C@H](CN=[N+]=[N-])OCCO 238402567 NCZCVMIVEMQQLF-YFKPBYRVSA-N 161.161 0.278 10 10 ACCE [N-]=[N+]=NC/C=C/[C@@H](O)[C@@H](O)/C=C/CO 238634163 VIXVJGSBVDIGJV-KHALRHBPSA-N 199.210 0.123 10 10 ACCE Oc1cccc(C2CNC2)c1O 238677586 HYBHQMAIASRAHT-UHFFFAOYSA-N 165.192 0.785 10 10 ACCE CNC(=O)N=NC(=O)NC 256312861 MLHZYWADINFYGA-UHFFFAOYSA-N 144.134 0.117 10 10 ACCE Oc1ccc(C2=NCCN2)cc1O 306176677 WVNGTBWKAHZVRF-UHFFFAOYSA-N 178.191 0.448 10 10 ACCE C[C@H](N)[C@@H](O)Cc1cccc(O)c1O 1952135678 ORCNQZBSKAYVEH-RCOVLWMOSA-N 197.234 0.348 10 10 ACCE O=C(O)C[C@@H](O)c1cc(O)nc(O)c1 1952155896 RFCSTPDRIKACAS-RXMQYKEDSA-N 199.162 0.001 10 10 ACCE CO[C@@H](C)CC(=O)NCCN=[N+]=[N-] 1963809290 PBRKNYOOABHXCQ-LURJTMIESA-N 186.215 0.838 10 10 ACCE O=C(O)C=S 59607915 VUOSIUQEBCTYNN-UHFFFAOYSA-N 90.103 0.071 10 10 ACCE Oc1cc(O)c([C@@H]2CCN2)cc1O 104458187 QHOCWGYGOFXKKD-LURJTMIESA-N 181.191 0.838 10 10 ACCE [N-]=[N+]=NC[C@H]1OCCC[C@@H]1O 198420934 LARQLRIDIQQNPR-NTSWFWBYSA-N 157.173 0.837 10 10 ACCE [N-]=[N+]=N[C@@H]1CCNC[C@H]1F 200448598 QJVADWNMDWXSCZ-RFZPGFLSSA-N 144.153 0.997 10 10 ACCE [N-]=[N+]=NC[C@H]1OCOC[C@H]1O 238675052 ZZLUJRJCQGUEEC-RFZPGFLSSA-N 159.145 0.031 10 10 ACCE C[C@]1(CN=[N+]=[N-])CCNC1=O 521399166 WSABSGRJVXMTJW-ZCFIWIBFSA-N 154.173 0.823 10 10 ACCE COc1cc(C(=O)CN)cc(O)c1O 1535817565 KPXVEMXMRMLUKZ-UHFFFAOYSA-N 197.190 0.248 10 10 ACCE Cc1nc(CN2CC(N=[N+]=[N-])C2)n[nH]1 1912197857 ZLEJNBGCRHEBHL-UHFFFAOYSA-N 193.214 0.608 10 10 ACCE C[C@H]1CN(CCN=[N+]=[N-])[C@@H](C)CN1 1954206494 HIVDQAKXYGNMDQ-YUMQZZPRSA-N 183.259 0.979 10 10 ACCE CC(=O)[C@H](N)c1c(O)cc(C)cc1O 104473597 AZCXGAGYILEMJR-JTQLQIEISA-N 195.218 0.995 10 10 ACCE Cc1cc(N)cc(O)c1O 141021001 WPJYAPUDRNCXBN-UHFFFAOYSA-N 139.154 0.988 10 10 ACCE NCc1ccc(O)c(C2(N)CC2)c1 238622583 BNCYLFVFRWHTEW-UHFFFAOYSA-N 178.235 0.799 10 10 ACCE O=C1COc2cc(O)c(O)cc2N1 257884931 MNNQLNDHNCPNHG-UHFFFAOYSA-N 181.147 0.429 10 10 ACCE C[C@@H]1C[C@H](O)CN1CCN=[N+]=[N-] 306749535 LSISPIYBMBCYNN-RQJHMYQMSA-N 170.216 0.752 10 10 ACCE NC1=N[C@@H](c2ccccc2O)COC1 306901130 NDMRFFZCZSSMSX-MRVPVSSYSA-N 192.218 0.821 10 10 ACCE C[C@H](N)[C@H](N)c1ccc(O)c(O)c1 306931950 CEDOQINUEZAHFG-CDUCUWFYSA-N 182.223 0.445 10 10 ACCE O=C(NCCF)c1ccc(O)c(O)c1 307608411 DUGAPZCAYVHBLI-UHFFFAOYSA-N 199.181 0.797 10 10 ACCE CC(=O)C(=O)CSc1nc[nH]n1 381829883 CEGOBNMMGDWWGV-UHFFFAOYSA-N 185.208 0.055 10 10 ACCE [N-]=[N+]=NCCNC(=O)CCOC1CC1 716859142 HWOTZXJAIHEOFN-UHFFFAOYSA-N 198.226 0.982 10 10 ACCE [N-]=[N+]=NCCCN1CC[C@H](N)C1 1953751365 KGCJLYUAESYMLL-ZETCQYMHSA-N 169.232 0.720 10 10 ACCE C[C@@H](N=[N+]=[N-])[C@@H](O)C(=O)O 36437645 NOISZIHEAAGGPN-PWNYCUMCSA-N 145.118 0.131 10 10 ACCE [N-]=[N+]=N[C@@H]1NC(=O)N[C@H]1N=[N+]=[N-] 39133229 SOTDSVQRDZZOOV-LWMBPPNESA-N 168.120 0.572 10 10 ACCE C[C@H](N)c1ccc(O)c(O)c1O 71452008 XLBBOZCOFVBBSO-BYPYZUCNSA-N 169.180 0.823 10 10 ACCE NC[C@H](N)c1c(F)ccc(F)c1O 72200316 KXHVOCHTBUCEOP-LURJTMIESA-N 188.177 0.629 10 10 ACCE NCc1c(N)cccc1O 95722090 VPRCDALXYCMAML-UHFFFAOYSA-N 138.170 0.433 10 10 ACCE CCc1ccc([C@H](N)CN)c(O)c1 95783198 PTROOUUPZHNRDF-SECBINFHSA-N 180.251 0.913 10 10 ACCE [N-]=[N+]=NCC(=O)N1CCCC1 103551874 KTEDMLFPPVCSGC-UHFFFAOYSA-N 154.173 0.919 10 10 ACCE CCCOC(=O)/C(=C/O)OC 137112036 OOTNGSPQUBPEDP-WAYWQWQTSA-N 160.169 0.985 10 10 ACCE Cn1ccc2oc(C(=O)CN)c(O)c21 211484217 VRRWJRXJQIKIHF-UHFFFAOYSA-N 194.190 0.618 10 10 ACCE CO[C@@H]1CC[C@@H](O)[C@@H](CN=[N+]=[N-])O1 238327615 RVXGPVMBHSCJBO-QYNIQEEDSA-N 187.199 0.809 10 10 ACCE [N-]=[N+]=NC(=N)NCCNC(=N)N=[N+]=[N-] 379340526 GTHCNYSYVZIYCM-UHFFFAOYSA-N 196.178 0.656 10 10 ACCE COc1ccc([C@@H](N)CCN)c(O)c1 396448072 GJSDPMDWRAKQKP-VIFPVBQESA-N 196.250 0.749 10 10 ACCE [N-]=[N+]=N[C@@H](CO)[C@H]1CCOC1 1535795953 IBEHQORWHLDGRP-WDSKDSINSA-N 157.173 0.694 10 10 ACCE CN(CCN=[N+]=[N-])[C@H]1CNC[C@H]1F 1892493444 NSHAIUPUUXZENO-RQJHMYQMSA-N 187.222 0.538 10 10 ACCE C[C@@]1(O)CON(CCCN=[N+]=[N-])C1 1912165469 LDBZIOBSCVKZAD-ZETCQYMHSA-N 186.215 0.685 10 10 ACCE C[C@H](CC(N)=O)N=[N+]=[N-] 1912188835 QUIIRTPWUDDNIC-GSVOUGTGSA-N 128.135 0.561 10 10 ACCE NCCCSCc1c[nH]cn1 39133113 JZVCYBBCFWYOKU-UHFFFAOYSA-N 171.269 0.992 10 10 ACCE Cc1cc(C)nc(C(=S)C(=O)O)n1 95496278 ZWADQAFFNIXRSY-UHFFFAOYSA-N 196.231 0.896 10 10 ACCE Oc1cc(F)ccc1[C@H]1CNCCN1 95692236 QZWNWHSDIHNVDY-SECBINFHSA-N 196.225 0.765 10 10 ACCE [N-]=[N+]=N[C@@H]1CNC(=O)O1 164730759 XDIYMZBWGIDGBK-REOHCLBHSA-N 128.091 0.363 10 10 ACCE O=C(O)Cc1cc(O)c(O)cc1O 199387807 FKWSAXDBQYTQDO-UHFFFAOYSA-N 184.147 0.431 10 10 ACCE O=C(O)CC(=O)C(=O)C1CCCC1 219075113 NYUHIHOFPWJGGK-UHFFFAOYSA-N 184.191 0.790 10 10 ACCE CN(CNN)c1ccc2c(c1)OCO2 259222387 XWLNMBKQRKLABC-UHFFFAOYSA-N 195.222 0.272 10 10 ACCE NCC[C@H](N)c1cccc(O)c1O 306649988 QVDQZAGKTRLTBY-ZETCQYMHSA-N 182.223 0.446 10 10 ACCE [N-]=[N+]=N[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O 306911930 LNONWVZLPFYVMS-YPVPKEFPSA-N 184.159 0.470 10 10 ACCE O=C1NC[C@@H](c2cccc(O)c2O)O1 1535731363 RYCDQDDVLYSTCG-ZETCQYMHSA-N 195.174 0.879 10 10 ACCE [N-]=[N+]=N[C@@H](CO)c1c[nH]c(=O)cn1 1951435805 LKNPOUWRGXGMSI-YFKPBYRVSA-N 181.155 0.114 10 10 ACCE Oc1ccc(O)c([C@@H]2NCC[C@H]2O)c1 1952081651 QTRNSBNMJDORRS-ZJUUUORDSA-N 195.218 0.493 10 10 ACCE CCOc1ccc([C@H](N)CO)c(O)c1 72197830 IMRNYTXZSHWDHO-SECBINFHSA-N 197.234 0.783 10 10 ACCE CC[C@H](C)N[C@@H](CN=[N+]=[N-])C(N)=O 85622002 UMORGZJARWGZQM-WDSKDSINSA-N 185.231 0.539 10 10 ACCE Nc1ccc(Cc2n[nH]c(=O)o2)cc1 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0.716 10 10 ACCE ONCc1ccc2c(c1O)OCO2 258061896 LMYNSUGBBJECJM-UHFFFAOYSA-N 183.163 0.600 10 10 ACCE CN(C)Cc1cc(CN)c(O)cc1O 642880146 JWLJZQMJDZSOEP-UHFFFAOYSA-N 196.250 0.618 10 10 ACCE Cc1nc(C(=O)NCCN=[N+]=[N-])n[nH]1 706392034 LNZXTYAONMJTEW-UHFFFAOYSA-N 195.186 0.153 10 10 ACCE CN/C=C1/SC(=S)NC1=O 1082522222 CKHQYFXIJFJSOA-NSCUHMNNSA-N 174.250 0.195 10 10 ACCE CC(=O)C(=O)[C@H](O)c1cncc(C)c1 2242600534 OSJVOEFFIYCPGA-SNVBAGLBSA-N 193.202 0.582 10 10 ACCE