smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC(=O)[C@H](C)NCc1cccc(OC)c1O 42560296 YFQKCBCEYXXGGK-QMMMGPOBSA-N 238.287 0.625 10 10 BCCE CN(CC(N)=O)c1ccc(CN)cc1Cl 62792872 WVBMWGWBRJKPSV-UHFFFAOYSA-N 227.695 0.720 10 10 BCCE Cc1cc([N+](=O)[O-])cc([C@@H](N)CO)c1O 72198163 ILQXYQYFHARQSQ-QMMMGPOBSA-N 212.205 0.601 10 10 BCCE CCOC(=O)c1ccc(O)c([C@@H](N)CN)c1 72201106 JGOZSAZKSAFAAK-VIFPVBQESA-N 224.260 0.527 10 10 BCCE C[C@@H](Cc1ccc(N)cc1)c1cc(=O)[nH]c(=O)[nH]1 82552328 HTALHEYSYRKAMF-QMMMGPOBSA-N 245.282 0.992 10 10 BCCE N[C@@H]1CSc2sc(C=O)c(O)c2[C@@H]1O 83073355 WRHIGWPBNLZJSC-AWFVSMACSA-N 231.298 0.733 10 10 BCCE COc1cccc([C@H]2CNCCN2C)c1O 83352076 KVEDZWCYAJWDEF-SNVBAGLBSA-N 222.288 0.977 10 10 BCCE O=S(=O)(O)CCNCc1ccc(O)cc1O 83376683 VWDXAPOFPJZRGD-UHFFFAOYSA-N 247.272 0.075 10 10 BCCE O=C1CC[C@@H]([C@H]2NCCc3cccc(O)c32)N1 83660353 IAVXGYNTRUQXEO-TVQRCGJNSA-N 232.283 0.858 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)C1CCOCC1 85224486 MKMLZHLYXXFSBP-MRVPVSSYSA-N 227.268 0.167 10 10 BCCE C[C@@H](Nc1ccc(N)cc1)C(=O)N1CCOCC1 131159187 DTJYNYAIFUQENT-SNVBAGLBSA-N 249.314 0.928 10 10 BCCE Oc1c(Cl)cccc1CNCc1nnn[nH]1 165158843 NMLWZIWVWXNKHV-UHFFFAOYSA-N 239.666 0.849 10 10 BCCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)N(C)C 227018288 HTRMGPPWIJLQCG-MRVPVSSYSA-N 238.287 0.778 10 10 BCCE COc1ccc(N2CCN3CCNC[C@H]3C2)cc1 250576806 KQWDERGKXATMNH-ZDUSSCGKSA-N 247.342 0.789 10 10 BCCE COc1cc(CNC[C@H](C)O)cc(O)c1O 309924823 UUEJUBURJQJFFG-ZETCQYMHSA-N 227.260 0.577 10 10 BCCE CCn1nnnc1CN(C)Cc1ccc(N)cc1 697899698 CYPGKKIEKURGRO-UHFFFAOYSA-N 246.318 0.907 10 10 BCCE CN(C)C[C@@]1(O)CCN(c2ccc(CN)cc2)C1 713651193 RVWLMKROZCLARD-AWEZNQCLSA-N 249.358 0.648 10 10 BCCE CC(C)[C@@](N)(C(=O)O)c1ccc(O)c(O)c1 713734939 OJGFZNAXSKHIQC-NSHDSACASA-N 225.244 0.992 10 10 BCCE NCC1(c2cccc(O)c2O)CC(O)C1 1535731100 LUYUMGOPCMUOMR-UHFFFAOYSA-N 209.245 0.449 10 10 BCCE OCc1ccc(N2CC=C[C@@H]2CO)cc1 1909228758 YILYMUNWEVDHAF-GFCCVEGCSA-N 205.257 0.916 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)Nc2ncccn2)C1 1912144233 PYDJUIANRHLDRG-QMMMGPOBSA-N 247.262 0.800 10 10 BCCE CN1C(=O)C[C@@H](N2CC[C@H](CN=[N+]=[N-])C2)C1=O 1912152712 XKAYBKMPQIQBGP-HTQZYQBOSA-N 237.263 0.376 10 10 BCCE COCCCNC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912153518 HIQJUXYVWKCQPR-VIFPVBQESA-N 241.295 0.524 10 10 BCCE CCn1nnnc1CN(C)CCN=[N+]=[N-] 1912172499 UVFFVFKMAMOXQK-UHFFFAOYSA-N 210.245 0.435 10 10 BCCE CCNC(=O)C[S@](=O)CCCCN=[N+]=[N-] 1912178236 KWJKFCBGWIPVEF-OAHLLOKOSA-N 232.309 0.962 10 10 BCCE O=C(N[C@H]1C[C@H]2C[C@H]1CN2)c1ccc(O)c(O)c1 1912309507 UILPGZDMUVWWMQ-AEJSXWLSSA-N 248.282 0.578 10 10 BCCE Cn1nnnc1CCc1ccc(N)cc1 1929710492 HAQXHHMGUCOFIV-UHFFFAOYSA-N 203.249 0.578 10 10 BCCE CO[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1(C)C 1950414751 FBGABAIWSKFRAQ-GMSGAONNSA-N 241.295 0.555 10 10 BCCE Nc1c[nH]nc1-c1cc(O)c(O)c(O)c1 1952306102 HZWJACYTSCCQFE-UHFFFAOYSA-N 207.189 0.776 10 10 BCCE [N-]=[N+]=NCCN1CCC[C@]2(CNC(=O)C2)C1 1978001512 NHZGOVJTOWFMQY-JTQLQIEISA-N 223.280 0.899 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1CCn1cnnn1 1984485718 PZCKPXJHRZLPIQ-QMMMGPOBSA-N 222.256 0.448 10 10 BCCE Nc1ccc(CC(=O)NCC2(O)CC2)cc1 1987321269 XYFSHCCGUGAUBA-UHFFFAOYSA-N 220.272 0.452 10 10 BCCE COc1cc(N)c(N(C)CCN)cc1OC 1989340574 ZQLSUDHOKNNGPR-UHFFFAOYSA-N 225.292 0.681 10 10 BCCE CC1(C)OC[C@H](N2CC[C@@H](N=[N+]=[N-])C2)[C@@H]1O 1991641395 PIHYRULFNGZTKM-VGMNWLOBSA-N 226.280 0.909 10 10 BCCE C[C@]1(O)CCN(c2ccc(N)cc2)C[C@H]1O 1992102737 KLPMMMOSKQTMMN-NEPJUHHUSA-N 222.288 0.591 10 10 BCCE COc1cc(N(C)[C@@H](C)CO)ccc1CN 1994423950 BDFQZCIOTGHPSF-VIFPVBQESA-N 224.304 0.971 10 10 BCCE CN(C)C[C@@H](NN)c1ccc2c(c1)CCN2C 1999537451 YZKNNMLYSVQQDJ-GFCCVEGCSA-N 234.347 0.745 10 10 BCCE CC[C@@H]1CN[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2003168335 SUGGBEIVQLBFRS-XWLWVQCSSA-N 238.331 0.640 10 10 BCCE CC(C)[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H](C)N 2003173320 WTSGYRLWSZJOAG-BFLSOPEQSA-N 240.347 0.871 10 10 BCCE OCC(CO)CCNCc1cc(F)ccc1O 2012436567 YYSFOKNOQJZXFS-UHFFFAOYSA-N 243.278 0.612 10 10 BCCE C[C@@H](N)CN(C)C(=O)COc1ccc(N)cc1 2016976316 XAGISEKVKQULJJ-SECBINFHSA-N 237.303 0.453 10 10 BCCE Cc1ccc(CN2CCOC[C@@H]2CN)c(O)c1 2024807045 BUAZGBWJWGXFLO-LBPRGKRZSA-N 236.315 0.860 10 10 BCCE CCOC(=O)C(=O)NCc1cccc(C)c1O 2024810516 DISJWOYXGCDMIR-UHFFFAOYSA-N 237.255 0.880 10 10 BCCE Nc1ccc(N2C[C@]3(CO)CC[C@@]3(CO)C2)cc1 2029044354 TUZHBYWERRQDQW-KBPBESRZSA-N 248.326 0.840 10 10 BCCE CN1CCc2cc([C@H](O)[C@H]3OCC[C@H]3N)ccc21 2044709148 UVZYWNCLAZWTPA-XBFCOCLRSA-N 248.326 0.829 10 10 BCCE Nc1ccc(CC(=O)N2CC=CC[C@@H]2CO)cc1 2056283786 XQVANOCLYFWRIX-CYBMUJFWSA-N 246.310 0.961 10 10 BCCE O=C(CN1C[C@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2066299990 MPPFWYZZHXFANP-UWVGGRQHSA-N 249.266 0.611 10 10 BCCE CCn1c(C2=C[C@@H](O)[C@@H](N)C2)nc2cccnc21 2067769628 PVGIOJQEDGWYEL-GXSJLCMTSA-N 244.298 0.927 10 10 BCCE Nc1ccc(CC(=O)N2C[C@@H](O)C23CCC3)cc1 2081649678 HWNCQYAKAWQGTL-GFCCVEGCSA-N 246.310 0.937 10 10 BCCE N=c1nnc(NN(C2CCC2)C2CCC2)n[nH]1 2247522708 WMFLGYJRKOJADF-UHFFFAOYSA-N 235.295 0.413 10 10 BCCE OCCC1(O)CN(c2ccc(OCF)cc2)C1 2253116385 GJMIEKSEPXGKNX-UHFFFAOYSA-N 241.262 0.926 10 10 BCCE CNCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2308660485 GRWLAEIYVFXWIE-HZSPNIEDSA-N 248.326 0.602 10 10 BCCE COCCN(CC(N)=O)Cc1ccc(N)cc1 35366631 IRQHLBRFKCDPIS-UHFFFAOYSA-N 237.303 0.203 10 10 BCCE COc1ccc([C@H]2NC(=O)[C@@H](C)N2)c(O)c1 42786599 NGEQNGVFMUKDIN-LHLIQPBNSA-N 222.244 0.507 10 10 BCCE COC(=O)[C@@H](CN)c1ccc(Cl)c(O)c1O 259999389 BYBJUCIFDVHTDO-LURJTMIESA-N 245.662 0.967 10 10 BCCE CCS(=O)(=O)Cc1nc[nH]c1C(=O)O 257900773 KOCLHNPXBHQQIY-UHFFFAOYSA-N 218.234 0.043 10 10 BCCE COC(=O)[C@H](N)c1ccc(F)c(O)c1O 260145548 OZNURXXEDNTTQO-ZCFIWIBFSA-N 215.180 0.410 10 10 BCCE C[C@H]1OC(=O)N[C@@H]1c1c(O)cc(O)cc1O 396902468 YFSLZFFOEIUTDY-MOFOKWOHSA-N 225.200 0.973 10 10 BCCE COC(=O)CO[C@H](N)Cc1ccc(O)c(O)c1 1951422989 IJVFTILMSUIBCQ-JTQLQIEISA-N 241.243 0.115 10 10 BCCE C[C@H](NCc1cc2c(cc1O)OCO2)C(N)=O 42879762 INZNNDGKTNOWEF-LURJTMIESA-N 238.243 0.084 10 10 BCCE CN(C)[C@@H]1CNC[C@@H]1Oc1ccc(N)cc1 1897336741 PYXLKELHVYSBIU-NEPJUHHUSA-N 221.304 0.550 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(N)=O)C1 2248222847 CRNFMEQWHPTFFY-CSMHCCOUSA-N 237.263 0.409 10 10 BCCE COc1cc(CN[C@@H](C)C(=O)O)cc(O)c1O 82306281 LOQLIIHITNGVMG-LURJTMIESA-N 241.243 0.669 10 10 BCCE C[C@H](O)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1 708698079 KBVHOJSVCVMLMS-TVYUQYBPSA-N 237.299 0.936 10 10 BCCE CNC(=O)[C@@H](C)NCc1cc(C)ccc1O 70955352 QDZGKRKCTVIVCO-SECBINFHSA-N 222.288 0.925 10 10 BCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1CCNC1 1912188471 OKRNXWWKLHNHPS-WPRPVWTQSA-N 240.311 0.130 10 10 BCCE CCN(CCN=[N+]=[N-])C[C@H]1CCS(=O)(=O)N1 1900612464 IYEIJHFETGCHIN-MRVPVSSYSA-N 247.324 0.310 10 10 BCCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1 1908277626 DJTXUSQAIFDQHH-RYUDHWBXSA-N 237.299 0.499 10 10 BCCE COC(CCN1CC(N=[N+]=[N-])C1)OC 1912193092 LWZMSZYQYAHVSI-UHFFFAOYSA-N 200.242 0.990 10 10 BCCE Cc1ncc([C@@H](NCCCN=[N+]=[N-])C(N)=O)cn1 1912152064 OKZHTPMOWLPKCY-SECBINFHSA-N 249.278 0.601 10 10 BCCE CN(CCCN=[N+]=[N-])Cc1cnn(C)n1 1912196494 VVUPKPKDVBFUPK-UHFFFAOYSA-N 209.257 0.947 10 10 BCCE COc1ccc2c(c1)N1C(=O)CNC[C@H]1CN2C 214832610 CYLCXYLEGOJFTA-VIFPVBQESA-N 247.298 0.450 10 10 BCCE CC(=O)C(=O)[C@]1(O)COC[C@@H]1CC(C)C 1929246665 NXQWLJOFALORDA-ONGXEEELSA-N 214.261 0.568 10 10 BCCE Cc1ccc(O)c(CNOCC(N)=O)c1 168039702 CRVGRCHBLCYGQQ-UHFFFAOYSA-N 210.233 0.207 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CCN2)C1 1961043025 JQHWITRFFBJBCH-IWSPIJDZSA-N 210.277 0.004 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)c(C)c1 1170286265 WTZPHTLUMMMAFS-GHMZBOCLSA-N 237.299 0.936 10 10 BCCE NCc1cn(Cc2ccccc2O)c(O)nc1=O 257863427 HCIBJJGIHONATQ-UHFFFAOYSA-N 247.254 0.162 10 10 BCCE CC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 1988131785 WJYTTZVXRSJVPR-UHFFFAOYSA-N 225.200 0.122 10 10 BCCE COCCN[C@@H](C(N)=O)c1c(O)cccc1F 1997956913 PMVHYXXRUYMJBJ-SNVBAGLBSA-N 242.250 0.294 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@H]2CN)c(C)c1 2010531668 VAZNHAILNKUAMV-WDEREUQCSA-N 236.315 0.902 10 10 BCCE C[C@H](N)c1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1 2014963499 YHGJGPPSDQBGOM-XDTLVQLUSA-N 236.315 0.638 10 10 BCCE CNC(=O)CNCc1cc(O)c(O)c(Cl)c1 309639569 KLYUYQXIINMAFE-UHFFFAOYSA-N 244.678 0.587 10 10 BCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@@H]1CNC2 723868741 WKXLIJDVGJXSLY-DTORHVGOSA-N 248.282 0.674 10 10 BCCE CN(Cc1ccccc1O)[C@@H]1C[C@@H](N)C[C@H]1O 1909684992 AAJKGYZOQOMHEE-NQBHXWOUSA-N 236.315 0.675 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2061535709 QHPOQJQTIKQJPQ-ILWJIGKKSA-N 249.266 0.408 10 10 BCCE Nc1ccc(CCN=c2[nH]cnc(F)c2N)cc1 2071656650 NYTWNKKOGSXMBX-UHFFFAOYSA-N 247.277 0.857 10 10 BCCE C[C@@H]1CC[C@@H](Nc2c(N)cccc2C(N)=O)CN1 2071719555 NMWGKIQFSDOWDW-RKDXNWHRSA-N 248.330 0.920 10 10 BCCE C[C@@H]1NCC[C@@H]1NC(=O)COc1ccc(N)cc1 2071732377 SINNKGPONDUGIK-CABZTGNLSA-N 249.314 0.514 10 10 BCCE N=c1nnc(OC[C@H]2CCCCCO2)n[nH]1 2210649983 ORECQOGOFJBVPM-SSDOTTSWSA-N 225.252 0.017 10 10 BCCE [N-]=[N+]=NCCN1CC[C@@H](O)[C@H](O)CC1 2241592727 QLLCLBYJGXZWGD-HTQZYQBOSA-N 200.242 0.114 10 10 BCCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1 2249562431 FDEZYWPBDWUNGH-OASPWFOLSA-N 237.299 0.672 10 10 BCCE CCN(CCN=[N+]=[N-])[C@H]1CN(C2CC2)C[C@@H]1O 2300532246 SCPYYLVAXILNRH-QWRGUYRKSA-N 239.323 0.826 10 10 BCCE Nc1ccc(N2C(=O)COCC2=O)cc1 41044242 BJWUJXVNBJGRBU-UHFFFAOYSA-N 206.201 0.159 10 10 BCCE OCCOCCNCc1cccc(O)c1O 41049403 RAGMTVOWJHQLAA-UHFFFAOYSA-N 227.260 0.196 10 10 BCCE N[C@H](C(=O)O)c1cc(O)c(O)cc1Cl 59307548 SMOIGOTXJBMQDJ-ZETCQYMHSA-N 217.608 0.836 10 10 BCCE N[C@@H](CO)c1cc(CCC(=O)O)ccc1O 72198534 WTEYVNRZINXKIH-VIFPVBQESA-N 225.244 0.402 10 10 BCCE CN1C[C@@H](N)[C@@H](c2ccc(O)c(O)c2)C1 74175795 IKDZJLCPXSNOKS-RKDXNWHRSA-N 208.261 0.454 10 10 BCCE Cc1ccc(CN2CCNCC2)c(O)c1O 82651935 TZAKEYPDIIRGJD-UHFFFAOYSA-N 222.288 0.811 10 10 BCCE COc1ccc2c(c1)C[C@](O)(CN)CN2C 83038657 SYMZUYSLGMWMKO-LBPRGKRZSA-N 222.288 0.377 10 10 BCCE CC(C)N1CC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 90257812 DOHNCIUTZWOLKD-SNVBAGLBSA-N 240.311 0.225 10 10 BCCE COC[C@@H](O)[C@@H](N)c1ccc(O)c(O)c1 95815080 KWPAVXCDXAWQBX-ZJUUUORDSA-N 213.233 0.105 10 10 BCCE CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)NC 108262460 IZFJWHPLYZEOMK-LLVKDONJSA-N 249.314 0.452 10 10 BCCE O=C(NCc1c[nH]cn1)c1cc(O)nc(O)c1 115254843 OINJDPGIBUNDFC-UHFFFAOYSA-N 234.215 0.146 10 10 BCCE C[S@@](=O)CCNCc1ccc(O)cc1O 124174536 UEOREQNXRCAHOY-HNNXBMFYSA-N 229.301 0.566 10 10 BCCE C[C@@H]1C(=O)NCCN1c1ccc(CN)c(F)c1 135227706 SUXGWKMXTJLBGF-MRVPVSSYSA-N 237.278 0.609 10 10 BCCE C[C@H](NCc1ccc(O)c(O)c1O)[C@@H](C)CO 226757792 QPEITJIYWRFQCX-YUMQZZPRSA-N 241.287 0.910 10 10 BCCE CC(C)NS(=O)(=O)Nc1ccc(O)cc1N 232656988 SLASRUXUZLTECR-UHFFFAOYSA-N 245.304 0.629 10 10 BCCE Oc1ccc(CNN2CCOCC2)c(O)c1O 236590243 IPYBDQSPADFYLI-UHFFFAOYSA-N 240.259 0.140 10 10 BCCE CN(C)CC(=O)c1cc(O)c(O)cc1N 238290412 JYFTWONFESUNBI-UHFFFAOYSA-N 210.233 0.424 10 10 BCCE [N-]=[N+]=NCCC[S@@](=O)CC(=O)NC1CC1 300788805 GZMVFGSPICXKDD-OAHLLOKOSA-N 230.293 0.714 10 10 BCCE NC(=O)CNCc1cc(O)c(O)c(Cl)c1 379997324 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0.038 10 10 BCCE CCN(CC(N)=O)c1ccc(CN)cc1F 231814081 QANXMORBOVFBAP-UHFFFAOYSA-N 225.267 0.596 10 10 BCCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N=[N+]=[N-] 696583574 YOXXODLAKJDSBV-RNFRBKRXSA-N 219.266 0.889 10 10 BCCE Oc1cc(O)c([C@H]2C[C@H](O)CN2)c(O)c1 1952076623 IJUGJEBUYVJMEG-NKWVEPMBSA-N 211.217 0.199 10 10 BCCE COC[C@H](N)c1c(O)cccc1[N+](=O)[O-] 1952377773 GGXKHTRGKNIODH-LURJTMIESA-N 212.205 0.947 10 10 BCCE Cc1ccc(O)c(CNC(=O)[C@@H](O)CCN)c1 83365814 FHPKBZQCBMARAQ-NSHDSACASA-N 238.287 0.027 10 10 BCCE Oc1ccccc1CNCc1cnn[nH]1 398402037 OCRZQWSWXGDNEU-UHFFFAOYSA-N 204.233 0.800 10 10 BCCE Cn1cc(-c2ccn(C)c(=O)c2)c(CN)n1 693452991 FBYLJIRGOPFDSA-UHFFFAOYSA-N 218.260 0.245 10 10 BCCE [N-]=[N+]=NC1CCN(C[C@@H](O)CO)CC1 1912163758 NIERATUFOREUSF-MRVPVSSYSA-N 200.242 0.114 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@@H](CO)[C@H](CO)C1 1912184786 HTZMAVSLSHOKEL-UWVGGRQHSA-N 228.296 0.610 10 10 BCCE COC[C@@H](OC)C(=O)N(C)CCCN=[N+]=[N-] 1912199800 XVPHXJVKGYSGSX-MRVPVSSYSA-N 230.268 0.807 10 10 BCCE 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0.786 10 10 BCCE NCC1(O)CN(Cc2c(O)cccc2F)C1 1976878162 ZOOUOSRWLORWJL-UHFFFAOYSA-N 226.251 0.037 10 10 BCCE Cn1cc(CCN2CC[C@@H](N=[N+]=[N-])C2)nn1 1978606408 LCLPIKGJZSULMG-SECBINFHSA-N 221.268 0.742 10 10 BCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cnns1 1988810441 BVHJRONWVOJXDQ-LURJTMIESA-N 242.264 0.652 10 10 BCCE OCC1(NCc2ccccc2O)CC(O)C1 1990175538 UNTXTXVSXGGMNG-UHFFFAOYSA-N 223.272 0.368 10 10 BCCE Cc1cccc(Cn2c(O)nnc2O)c1O 1994456824 RAWDKHKVBUBNEG-UHFFFAOYSA-N 221.216 0.752 10 10 BCCE C[C@H]1[C@H](O)CN1CC(=O)c1ccc(O)c(O)c1 2011384698 PIVTUPWHLSYTLA-WRWORJQWSA-N 237.255 0.346 10 10 BCCE CN(Cc1ccccc1O)[C@H]1CCNC1=O 178304167 SEGBRVYAPIWJFZ-JTQLQIEISA-N 220.272 0.713 10 10 BCCE CN=c1[nH]c(Oc2ccc(N)cc2)ncc1N 2021665386 FJYLWQOBJMGNOK-UHFFFAOYSA-N 231.259 0.897 10 10 BCCE NC(=O)[C@H](NCc1ccc(F)cc1O)C1CC1 2024896581 OYMBYYDYRMXYSG-LLVKDONJSA-N 238.262 0.885 10 10 BCCE CCN1C(=O)CN[C@H]1c1cccc(O)c1O 309448780 KONMFZSHRWUZCL-LLVKDONJSA-N 222.244 0.548 10 10 BCCE C[C@H](O)[C@H](C)NCc1cc2c(cc1O)OCO2 386923242 PSRQJIOBFQNRFK-YUMQZZPRSA-N 239.271 0.980 10 10 BCCE Nc1ccc(CCC(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 2071709126 JTYDTWJGDQEKEF-IMRBUKKESA-N 245.326 0.617 10 10 BCCE COc1ccc(N2CC[C@@H](O)[C@H](O)C2)c(C)c1 2214197009 DNOUAUPCIDCDOI-CHWSQXEVSA-N 237.299 0.936 10 10 BCCE Nc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1 2214638913 CBJLSMCIERHNRC-TVYUQYBPSA-N 233.315 0.285 10 10 BCCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H]1C 2214845799 GJXYBIFGYJRVNZ-RNCFNFMXSA-N 236.315 0.984 10 10 BCCE Nc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1 2243774396 AIETUHOHGKYRFL-TXEJJXNPSA-N 222.288 0.591 10 10 BCCE NC(=O)c1nc(CNCc2ccc(N)cc2)no1 2257962182 JOXWOEKJCIOFTI-UHFFFAOYSA-N 247.258 0.041 10 10 BCCE O[C@@H]1COCCN(c2ccc3c(c2)CCO3)C1 1145070631 HGFXVGOXASHYFJ-LBPRGKRZSA-N 235.283 0.819 10 10 BCCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1O 2318870194 CUCVVYIZLUDSPS-CQFDHEJISA-N 248.282 0.489 10 10 BCCE C[C@@H](C(N)=O)N(C)c1ccc(CN)cc1 34653854 DYCUOCXXELMRKH-QMMMGPOBSA-N 207.277 0.455 10 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0.179 10 10 BCCE CN=NC(C)(C)NC(=O)N1CCOCC1 308680577 NAVRVFORLBEGIC-UHFFFAOYSA-N 214.269 0.846 10 10 BCCE COc1cc(O)c2c(c1)CC[C@]2(N)C(=O)O 309405105 VENPJZBBJCNRDI-LLVKDONJSA-N 223.228 0.586 10 10 BCCE O=C(O)c1cccc([C@H]2CNCCN2)c1O 309539022 GMZBXOGZDSQPAF-SECBINFHSA-N 222.244 0.324 10 10 BCCE CC(C)[C@@H](O)[C@H](N)c1ccc(O)c(O)c1O 380808351 JAJFNRYSGSBHAW-RKDXNWHRSA-N 227.260 0.820 10 10 BCCE CCN1C(=O)CN(CCCN=[N+]=[N-])C1=O 688951920 OXBSESMAXBUEIJ-UHFFFAOYSA-N 211.225 0.971 10 10 BCCE Cn1cnnc1C[C@@H](O)Cc1ccc(N)cc1 692800103 YNHVJXFABOFGIM-NSHDSACASA-N 232.287 0.543 10 10 BCCE Nc1ccc(N2CC(n3cncn3)C2)cc1 707379195 BFTIFXLPQIYWEW-UHFFFAOYSA-N 215.260 0.922 10 10 BCCE Cc1cccc([C@H](N)[C@@](C)(O)CO)c1O 713764631 WDLFYCATMMRQQA-QWRGUYRKSA-N 211.261 0.444 10 10 BCCE C[C@H](NC[C@@H](O)[C@@H](C)O)c1ccc(O)cc1O 717399211 YBGJGTZSPOAVSC-JOAULVNJSA-N 241.287 0.490 10 10 BCCE O=C1NC(=S)S/C1=C/c1cncnc1 781106309 KEUUFVIBBMMAQZ-LZCJLJQNSA-N 223.282 0.965 10 10 BCCE 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220.272 0.199 10 10 BCCE Nc1ccc(COCc2nc(=O)o[nH]2)cc1 1981702549 RRNDEYRBEONVDT-UHFFFAOYSA-N 221.216 0.662 10 10 BCCE CN1CC[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1=O 1984485000 CSDPKDSGGDZWEL-BDAKNGLRSA-N 223.280 0.992 10 10 BCCE NC(=O)[C@H](NCc1c(O)cccc1F)C1CC1 1997948905 MHUHEBJVHHHFQW-LLVKDONJSA-N 238.262 0.885 10 10 BCCE CN[C@@H](c1ccc(N(C)C)cc1)C1(O)COC1 1999536270 IECZCODTVZBOJO-LBPRGKRZSA-N 236.315 0.774 10 10 BCCE N[C@@H]1C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1999575167 PIKWVLGAHXLBOP-DTWKUNHWSA-N 236.271 0.104 10 10 BCCE COc1ccc(N(C)CCN2CC(N)C2)cc1 2003480278 QRMVGXUHALDCCZ-UHFFFAOYSA-N 235.331 0.774 10 10 BCCE CNC(=O)NC(=O)CN1CCC[C@H]1CN=[N+]=[N-] 2009445614 PSKRXPOTUJONLR-ZETCQYMHSA-N 240.267 0.217 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2016890802 SQXSMPNSOOFIBP-URLYPYJESA-N 232.287 0.608 10 10 BCCE Nc1cccc(F)c1N[C@@H]1CO[C@H]2CNC[C@H]12 2017004923 WTPBFXLEVVJVJM-ONOSFVFSSA-N 237.278 0.807 10 10 BCCE N[C@@H](c1ccccc1O)[C@]1(O)CCN(C2CC2)C1 2031162844 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LDGBDZNXYRVOIR-MVWJERBFSA-N 248.282 0.626 10 10 BCCE NC(=O)c1cccc(N)c1N[C@H]1CCCCNC1 2071702211 TWIGWDFKWWRLSM-VIFPVBQESA-N 248.330 0.922 10 10 BCCE COc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1C 2210942494 CYDWCZUUIOSZGH-QWRGUYRKSA-N 223.272 0.545 10 10 BCCE [N-]=[N+]=NCCCCNC(=O)COCC(=O)O 2210533518 FELCHZCTMNFDPL-UHFFFAOYSA-N 230.224 0.294 10 10 BCCE N=C(NO)c1cnc(SCC(N)=O)s1 2242575609 LHDUTQZMUNQJJY-UHFFFAOYSA-N 232.290 0.025 10 10 BCCE COc1cccc(O)c1CN[C@@H]1COC(=O)C1 2253308103 VFRVDLZDOMFNLJ-QMMMGPOBSA-N 237.255 0.806 10 10 BCCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1ccc(O)c(O)c1 2249809856 JVNOGJFUHJVHIF-ZHAHWJHGSA-N 239.271 0.336 10 10 BCCE COc1cc(OC)c(N2CC(N)C2)c(OC)c1 2250024804 FRTWLMKXXWZYIW-UHFFFAOYSA-N 238.287 0.860 10 10 BCCE N[C@@H](c1ccc(O)c(O)c1)c1nnc(CO)o1 83364369 MKFJZYHDXDYZOR-VIFPVBQESA-N 237.215 0.021 10 10 BCCE CN(C)CCNC(=O)[C@@H](N)c1ccccc1O 83364885 GTIIABMSQARYBX-NSHDSACASA-N 237.303 0.070 10 10 BCCE C[C@](N)(c1ccc(O)c(O)c1)C(F)(F)CO 95757019 MCSPLNYHIDMOIR-VIFPVBQESA-N 233.214 0.899 10 10 BCCE COc1ccc(O)c([C@@H](N)CS(C)(=O)=O)c1 95760619 QUOQACSKSPYZGR-VIFPVBQESA-N 245.300 0.445 10 10 BCCE Nc1cc(F)cc([C@@H](N)[C@@H](O)C2CC2)c1O 95805379 DAQAQYVIDMMZLL-ZJUUUORDSA-N 226.251 0.884 10 10 BCCE COCCN(CCO)c1ccc(CN)cc1 123902080 UYGKZNAWZMXIFG-UHFFFAOYSA-N 224.304 0.590 10 10 BCCE CNS(=O)(=O)Nc1ccc(O)cc1F 160643948 FELMLNVVCKUYJS-UHFFFAOYSA-N 220.225 0.407 10 10 BCCE C[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1 205339030 YBYGVCVASNJMBA-YFKPBYRVSA-N 228.200 0.341 10 10 BCCE O=C(/C=C\c1ccc(O)c(O)c1)OCCO 210009682 GQMXXQFZDGUTPH-RQOWECAXSA-N 224.212 0.647 10 10 BCCE N[C@H](CO)c1c(O)ccc2c1OCCO2 212414407 FEXKBLLJOJUAPJ-ZCFIWIBFSA-N 211.217 0.156 10 10 BCCE CC(=O)OCc1c(O)c(O)cc(O)c1O 216564088 VQGGYLASFUBKDK-UHFFFAOYSA-N 214.173 0.572 10 10 BCCE Cn1ccc(C(=O)NCc2cc(N)ccc2O)n1 231890646 HACZAMWASWUJRJ-UHFFFAOYSA-N 246.270 0.638 10 10 BCCE CC[C@@H](CN)NC(=O)c1ccc(O)c(O)c1 233885750 XKASAWFPRKAVJN-QMMMGPOBSA-N 224.260 0.565 10 10 BCCE C[C@](N)(C(=O)O)c1cc(CN)ccc1O 238485602 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KVOXYEASQBQMQN-MRVPVSSYSA-N 214.225 0.218 10 10 BCCE C[C@H](C(N)=O)N(C)Cc1cc(N)ccc1O 711090249 OWXYQDMDDOYCOU-SSDOTTSWSA-N 223.276 0.280 10 10 BCCE C[C@H](Nc1nc(N)nc(N)n1)c1ccccc1O 1187340313 BSZAXYUQJXECCA-LURJTMIESA-N 246.274 0.915 10 10 BCCE COc1cccc(CNCC2OCCO2)c1O 1892567557 QNHUKXJRJLPGJG-UHFFFAOYSA-N 239.271 0.863 10 10 BCCE N[C@@H]1CCC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1906905590 CSAVJRHPIDDGAM-GWOFURMSSA-N 238.331 0.770 10 10 BCCE C[C@H](O)[C@@H]1C[C@H]1NCc1ccc(O)c(O)c1O 1908471872 YNHWJDPPHCOIPN-CNUIFLNQSA-N 239.271 0.662 10 10 BCCE NCc1ccc(N2CC=C[C@@H]2CO)cc1 1909056054 MQIYGENYLDJGGT-GFCCVEGCSA-N 204.273 0.882 10 10 BCCE CN1CCO[C@H](CN2CC[C@@H](N=[N+]=[N-])C2)C1 1912171117 GSARAIISINHJSJ-ZJUUUORDSA-N 225.296 0.702 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN([C@H]2CCS(=O)(=O)C2)C1 1912172549 FNWKFVUBAKGOGD-BDAKNGLRSA-N 244.320 0.806 10 10 BCCE Nc1ccc(CCNC(=O)N2CC[C@H](O)C2)cc1 1914098404 UAGAWMNLQUDWBP-LBPRGKRZSA-N 249.314 0.588 10 10 BCCE [N-]=[N+]=NC1CN(C[C@@H]2C[C@H](CO)CO2)C1 1934441968 QRFCUHWLBGJAES-APPZFPTMSA-N 212.253 0.378 10 10 BCCE Nc1ccc(NC(=O)[C@H]2CCS2(=O)=O)cc1 1937956052 NGQIVGVJQCPFNB-SECBINFHSA-N 240.284 0.394 10 10 BCCE Cc1ccc(O)c([C@H]2CNC(=O)CN2)c1 1951857837 WNUDBGVPEAVDSW-SECBINFHSA-N 206.245 0.461 10 10 BCCE N[C@]1(c2cc(F)ccc2O)C[C@@H]1C(=O)O 1952764118 BRCZFHWUVYLRAG-XCBNKYQSSA-N 211.192 0.790 10 10 BCCE C[C@H]1C[C@H]1S(=O)(=O)NCCN=[N+]=[N-] 1954751181 MDVAQAQNVRYLKP-NTSWFWBYSA-N 204.255 0.625 10 10 BCCE CO[C@H]1CN(CCN=[N+]=[N-])[C@](C)(CN)C1 1962303487 HRSHEKFHEWATCL-BDAKNGLRSA-N 213.285 0.735 10 10 BCCE CCNC(C)(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980379059 ZYBJMUGCUYZXFM-KYZUINATSA-N 226.320 0.640 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CC=CCN2)C1 1980926273 CUJAIDDOPYOGDF-GUBZILKMSA-N 222.288 0.170 10 10 BCCE C[C@H]1CNC(=O)CN1Cc1ccc(N)cc1 1985204632 HMQZIHUWQRFYKQ-VIFPVBQESA-N 219.288 0.589 10 10 BCCE CN(C)c1ccc(CN=c2[nH][nH]c(=N)o2)cc1 1997772193 WUROROWOYSEUAJ-UHFFFAOYSA-N 233.275 0.582 10 10 BCCE NCCOCCNC(=O)Nc1ccc(N)cc1 2016888509 CPHHHNWGHZZRHR-UHFFFAOYSA-N 238.291 0.366 10 10 BCCE CNCc1ccc(N2CC(OCC(N)=O)C2)cc1 2028712212 FZZYZSUSMAIYRK-UHFFFAOYSA-N 249.314 0.097 10 10 BCCE CP(C)(=O)[C@H](O)CN1CC(N=[N+]=[N-])C1 2209901090 VAZXOQWDDDGHQD-ZETCQYMHSA-N 218.197 0.922 10 10 BCCE COc1ccc(N(CCO)CCO)c(F)c1 2210890628 VMFCCVMGMMCFSJ-UHFFFAOYSA-N 229.251 0.625 10 10 BCCE COc1n[nH]cc1C(=O)N1CC(N=[N+]=[N-])C1 2243631165 UENQYNSPSZDTRD-UHFFFAOYSA-N 222.208 0.553 10 10 BCCE CC(C)N(C)/N=N/c1n[nH]nc1C(N)=O 18252404 PYLUKKMIZRZXQG-ACCUITESSA-N 211.229 0.243 10 10 BCCE CN(CCO)C(=O)COc1ccc(N)cc1 40302490 MJDZFOWFZOFCDX-UHFFFAOYSA-N 224.260 0.098 10 10 BCCE N[C@@H](CO)c1cc([N+](=O)[O-])cc(F)c1O 72198295 LABSIYIGSSVKHE-ZETCQYMHSA-N 216.168 0.432 10 10 BCCE CN(C)c1ccc([C@H](N)CN)cc1[N+](=O)[O-] 72201125 JHOYQESQEJYDRF-MRVPVSSYSA-N 224.264 0.619 10 10 BCCE O=C(O)[C@H]1CNC[C@@H]1c1ccc(O)c(O)c1 74036159 ICPUCQDQHBQXQG-SFYZADRCSA-N 223.228 0.485 10 10 BCCE C[C@@H]1C(=O)NCCN1c1ccc(N)cc1 82475486 ANSFZNRAUAMAJO-MRVPVSSYSA-N 205.261 0.594 10 10 BCCE NC(=O)[C@]1(N)CC[C@@H](Sc2nccs2)C1 86631129 CDIKCWOQKRWLDJ-MUWHJKNJSA-N 243.357 0.971 10 10 BCCE NC1=NC(=O)NC(=O)/C1=C\c1ccccc1 212336210 QXCZFOJLDLGOTO-VURMDHGXSA-N 215.212 0.677 10 10 BCCE COc1cc([C@H](N)C(=O)O)c(O)cc1F 215340540 SYRZCRSMWYROHG-QMMMGPOBSA-N 215.180 0.624 10 10 BCCE C[C@H]1NC(=O)NN=C1c1ccc(O)cc1 238466408 KBFPPHFYFSTKAT-ZCFIWIBFSA-N 205.217 0.798 10 10 BCCE Nc1ccc(N2C[C@]3(CCOC3)NC2=O)cc1 258164070 YHKWOGJOFCCXBT-LBPRGKRZSA-N 233.271 0.958 10 10 BCCE Cc1c(C[C@@H](N)C(=O)O)cc(O)c(O)c1C 258409902 LCUZAJBNJGAZAZ-MRVPVSSYSA-N 225.244 0.669 10 10 BCCE CN(c1ccc2c(c1)NC(=O)CO2)C1CNC1 259639465 CPOOBDVGEONWTC-UHFFFAOYSA-N 233.271 0.426 10 10 BCCE O=C(O)c1cccc([C@@H]2CNCCN2)c1O 309539025 GMZBXOGZDSQPAF-VIFPVBQESA-N 222.244 0.324 10 10 BCCE Nc1cc([C@H](N)CC(=O)O)cc(O)c1O 379739038 BPQQSYYXFZVGBQ-RXMQYKEDSA-N 212.205 0.155 10 10 BCCE CN(CC(C)(CO)CO)c1ccc(CN)cc1 383751230 DWPVGZPJTSWBGL-UHFFFAOYSA-N 238.331 0.572 10 10 BCCE C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 384860433 JVWJIRGIVOJVMX-VXNVDRBHSA-N 237.255 0.693 10 10 BCCE Cn1ncc([C@H](O)Cc2ccc(N)cc2)n1 696581875 VRLUYAODFLPCDT-LLVKDONJSA-N 218.260 0.673 10 10 BCCE CCO[C@H]1CS(=O)(=O)C[C@H]1N=[N+]=[N-] 696583634 ZPHOKDOJLDLMNT-RITPCOANSA-N 205.239 0.499 10 10 BCCE Cc1csc(=O)n1CC(=O)NCCN=[N+]=[N-] 701281386 PKVQZUZIVHVOPX-UHFFFAOYSA-N 241.276 0.645 10 10 BCCE COCC(COC)(NCCN=[N+]=[N-])C(=O)O 702584409 TUMYEKTVMMWPGF-UHFFFAOYSA-N 232.240 0.003 10 10 BCCE CN(Cc1nnnn1C)c1ccc(CO)cc1 708268952 AYORPEKBTXMELH-UHFFFAOYSA-N 233.275 0.339 10 10 BCCE C[C@H](O)[C@H](O)CN[C@H]1CCc2cccc(O)c21 717389691 ZFAOWXOSCKOZNI-PTOFAABTSA-N 237.299 0.711 10 10 BCCE Oc1cccc(C[C@@]2(O)CCNC2)c1O 1535733774 DOBGNNFPCOUHQS-NSHDSACASA-N 209.245 0.365 10 10 BCCE CN(C)CC1(Oc2ccc(N)cc2)CNC1 1903019655 BHYQKWATNXQBTF-UHFFFAOYSA-N 221.304 0.551 10 10 BCCE CC(CO)(CO)CN1CCC[C@H](CN=[N+]=[N-])C1 1912146360 AXWBVSXZPPYMDN-SNVBAGLBSA-N 242.323 1.000 10 10 BCCE C[C@H](C(=O)N1CC[C@@H](CN=[N+]=[N-])C1)n1cncn1 1912150902 AADLZTIAKKKLIK-BDAKNGLRSA-N 249.278 0.998 10 10 BCCE Cn1nnnc1CN1CCC[C@@H](CN=[N+]=[N-])C1 1912151464 HSSXHXOIVXMCDL-QMMMGPOBSA-N 236.283 0.732 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NCC2CC2)C1 1912192859 KSGYOKLXWCBBDS-SECBINFHSA-N 223.280 0.897 10 10 BCCE Cn1ncnc1CN1CC[C@H](N=[N+]=[N-])C1 1912206912 VDPPKYAOOYAWGF-ZETCQYMHSA-N 207.241 0.700 10 10 BCCE CC1(S(=O)(=O)N2CC(N=[N+]=[N-])C2)CC1 1912207357 KHAHDTLSAYIJOQ-UHFFFAOYSA-N 216.266 0.863 10 10 BCCE CC(C)N(CCN)C(=O)c1cc(O)nc(O)c1 1913100064 VWURVSGSVBIWET-UHFFFAOYSA-N 239.275 0.302 10 10 BCCE Oc1ccc(F)cc1CNC[C@H]1COC[C@H]1O 1948509487 AYEATYRBJDNVFC-JOYOIKCWSA-N 241.262 0.628 10 10 BCCE COc1cc(N2C(=O)N[C@@H](C)C2=O)ccc1N 1950876019 NOVVZRCMZYQKGY-LURJTMIESA-N 235.243 0.722 10 10 BCCE Oc1ccc([C@@H]2CNCCOC2)c(O)c1O 1952602859 SPBAATYTJBWXHQ-SSDOTTSWSA-N 225.244 0.507 10 10 BCCE Nc1ccccc1N[C@@H]1C[C@H](O)C[C@H]1O 1960183661 SONPZEDGQPILQV-WHGOUJPWSA-N 208.261 0.565 10 10 BCCE N[C@@H]1CC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1985972215 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238.287 0.235 10 10 BCCE CCN1C(=O)CN[C@@H]1c1ccc(O)cc1O 381450048 HBXYFGKFFTUYNO-NSHDSACASA-N 222.244 0.548 10 10 BCCE Cc1ccc(O)c(CN[C@@H]2CONC2=O)c1 393753719 UZROKFIBZSJNNS-SECBINFHSA-N 222.244 0.220 10 10 BCCE N=C1COC[C@H](c2cc(F)cc(N)c2O)N1 396696995 OXFWLGJNQIRMIK-MRVPVSSYSA-N 225.223 0.752 10 10 BCCE COC[C@@H](N)[C@@H](N)c1ccc(O)c(O)c1 396820425 YPBLFWFXNIPVJP-XCBNKYQSSA-N 212.249 0.071 10 10 BCCE O=C(NCC1COC1)c1cccc(O)c1O 530117331 UWQSGUDZBAYABL-UHFFFAOYSA-N 223.228 0.474 10 10 BCCE COc1ccc(O)c(CN[C@@H](C)[C@@H](O)CO)c1 699008814 UNVGNABJKYMMDK-UFBFGSQYSA-N 241.287 0.232 10 10 BCCE O=C(N[C@]12COC[C@H]1C2)c1cccc(O)c1O 718085576 MRNNMBDTBHUSAI-JMCQJSRRSA-N 235.239 0.617 10 10 BCCE COC(=O)[C@H](O)C1(c2cccc(O)c2O)CC1 1535735059 UJIKPTNKNABWNS-JTQLQIEISA-N 238.239 0.663 10 10 BCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCCO 1860080295 BQKDPIFVCOXHCL-MRVPVSSYSA-N 224.260 0.145 10 10 BCCE CN1C(=O)O[C@H]2CN(CCCN=[N+]=[N-])C[C@H]21 1895487251 QTEKUHGMWLAJGK-SFYZADRCSA-N 225.252 0.822 10 10 BCCE CN(CCN=[N+]=[N-])CC(=O)Nc1ncccn1 1912186842 GSDXHSXJAMSDRM-UHFFFAOYSA-N 235.251 0.657 10 10 BCCE COC(=O)[C@@H](NCCCN=[N+]=[N-])C1(OC)CC1 1912211542 XZBYULSZLHEHHP-MRVPVSSYSA-N 242.279 0.997 10 10 BCCE C[C@H](N)C1(NC(=O)c2ccc(O)c(O)c2)CC1 1913527909 LZSVHNUTJPEHJX-ZETCQYMHSA-N 236.271 0.707 10 10 BCCE Oc1ccc(CNC[C@@H](O)CF)c(O)c1 1930554129 VUNUFZUGDOCUGW-VIFPVBQESA-N 215.224 0.518 10 10 BCCE CC(=O)C(=O)[C@](C)(O)c1cnn(C2CCC2)c1 1943328308 IHIHZQHIEKFPSR-GFCCVEGCSA-N 236.271 0.974 10 10 BCCE COc1cc([C@@H]2CNC[C@@H]2CO)cc(O)c1O 1952060578 FSVGYVXRSDQLKZ-BDAKNGLRSA-N 239.271 0.402 10 10 BCCE Oc1ccc([C@H]2NCCC[C@@H]2O)c(O)c1O 1952656356 FJMPVFSAXREOBQ-IONNQARKSA-N 225.244 0.589 10 10 BCCE [N-]=[N+]=NCCCCN1CCOC[C@H](N)C1 1962300028 PBWPCXMJPCSUFW-SECBINFHSA-N 213.285 0.736 10 10 BCCE CN(Cc1ccc(N)cc1)C(=O)C(C)(C)O 1982317320 OCFYKBDGNVXPRK-UHFFFAOYSA-N 222.288 0.998 10 10 BCCE O=C(OC(CF)CF)c1cc(O)nc(O)c1 1985991881 UJUDBIWXGOCJET-UHFFFAOYSA-N 233.170 0.957 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](CO)OCC12CC2 1986284869 MQICSNLMVRLFGR-SECBINFHSA-N 226.280 0.913 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1CO 1995933316 MICZIBASTHYMOE-RKDXNWHRSA-N 237.255 0.137 10 10 BCCE COc1cccc(O)c1CN(C)OCC(=O)O 1997932059 GYCUNZGSQLDMMS-UHFFFAOYSA-N 241.243 0.849 10 10 BCCE CO[C@H]1COC[C@@H]1NCCc1ccc(N)cc1 2008128233 RXPKEBGORBORBB-STQMWFEESA-N 236.315 0.815 10 10 BCCE NCc1ccc(N2CCO[C@H]3COC[C@@H]32)cc1 2017546793 QVXOMBUHSIMQLG-STQMWFEESA-N 234.299 0.749 10 10 BCCE O[C@H]1CN(c2ccc3c(c2)CCC[C@H]3O)C[C@@H]1O 2065023128 XNLGRZZRSZOAEC-RDBSUJKOSA-N 249.310 0.598 10 10 BCCE N=c1cc(NCCOc2ccc(N)cc2)cn[nH]1 2067485150 FCFHOSXAJIQUMV-UHFFFAOYSA-N 245.286 0.962 10 10 BCCE CN(CC1CNC1)C(=O)COc1ccc(N)cc1 2071683606 XMKAQFZAKQCKHA-UHFFFAOYSA-N 249.314 0.325 10 10 BCCE CCn1nnc([C@H](O)[C@H](N)c2ccccc2O)n1 2077197804 VHMJILYJPNYOTH-NXEZZACHSA-N 249.274 0.132 10 10 BCCE COc1ccc(N2C[C@H](C)[C@@H](O)C2)c(CN)c1 2214845397 AXRBOLDALJQMKD-ZANVPECISA-N 236.315 0.971 10 10 BCCE COc1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)c(CN)c1 2220418356 YOFNDRPVPXLKSO-ZKYQVNSYSA-N 248.326 0.971 10 10 BCCE NC/C=C\CNC(=O)Cc1ccc(N)cc1 2243588344 XWBCQVSNOKVLLO-UPHRSURJSA-N 219.288 0.442 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)c2cc(=O)cc[nH]2)C1 2248953482 RBKJFGDYKZOUSY-SSDOTTSWSA-N 233.231 0.900 10 10 BCCE COc1cc(OC)c(N2CC(O)C2)c(OC)c1 2250019014 OTLAVTKAOCMARD-UHFFFAOYSA-N 239.271 0.893 10 10 BCCE COC(=O)NC1CN(Cc2ccc(N)cc2)C1 2306927235 ROMLUDJTHJXREM-UHFFFAOYSA-N 235.287 0.809 10 10 BCCE COc1ccc(-n2nnnc2CCC(=O)O)cc1 26442735 OBFJIFSKXIOKTR-UHFFFAOYSA-N 248.242 0.688 10 10 BCCE CN1C(=O)C(=O)N(CCc2ccc(N)cc2)C1=O 35677247 JTNBDADYSPWBQB-UHFFFAOYSA-N 247.254 0.232 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1ncccc1O 42012064 AFGMSXZMDZKIBN-UHFFFAOYSA-N 207.193 0.827 10 10 BCCE COc1ccc2c(c1)NCCN2C[C@H](O)CO 76926851 SMFGKUNTFLVAGE-VIFPVBQESA-N 238.287 0.280 10 10 BCCE COc1ccc(N(C)C[C@H](O)CN)cc1OC 77386182 HPVRNLGKHZFBLS-SNVBAGLBSA-N 240.303 0.460 10 10 BCCE COc1ccc([C@H](N)c2nnc(C=O)o2)c(O)c1 83379982 DWQQIVKISIVUHO-JTQLQIEISA-N 249.226 0.644 10 10 BCCE Oc1cccc(CNN2CCOCC2)c1O 214427139 AOIGRKOKADYULT-UHFFFAOYSA-N 224.260 0.435 10 10 BCCE CN[C@H](CO)c1ccc(F)c(F)c1O 238801362 PGFPQPGFBIOZKV-SSDOTTSWSA-N 203.188 0.923 10 10 BCCE NC[C@H](O)c1ccc(Cl)c(O)c1O 258240811 WRYTXVKHTGWNGQ-LURJTMIESA-N 203.625 0.743 10 10 BCCE CC(=O)OC[C@H]1O[C@@H](O)C[C@H]1N=[N+]=[N-] 308370135 OSLJIDUIADNXFY-FSDSQADBSA-N 201.182 0.336 10 10 BCCE CN1C(=O)CN[C@H]1c1cc(O)ccc1O 389919742 PPNHUMOALMZCTF-SNVBAGLBSA-N 208.217 0.158 10 10 BCCE Nc1ccc(CC(=O)O[C@H]2CCCNC2=O)cc1 691530717 OIXIXLALFXNLFE-NSHDSACASA-N 248.282 0.633 10 10 BCCE Nc1ccc(OC[C@H](O)Cn2ccnn2)cc1 699021024 SSMCQDBJSRTMGS-SNVBAGLBSA-N 234.259 0.300 10 10 BCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1CO 709255002 BOOPWTYDVYISFJ-JQWIXIFHSA-N 248.326 0.898 10 10 BCCE CN(C)C[C@H](CO)NCc1cc(F)ccc1O 716779990 RINNMOFKYRVMKY-LLVKDONJSA-N 242.294 0.543 10 10 BCCE C[C@H](O)[C@H](O)CNCc1ccccc1O 717427641 LTFHWYLVDHKSHJ-GZMMTYOYSA-N 211.261 0.224 10 10 BCCE COc1ccc(N2CC[C@H](NC(N)=O)C2)cc1 849225115 ODCQFZMPLAXYPP-VIFPVBQESA-N 235.287 0.942 10 10 BCCE Cn1ccc2c([C@H](O)[C@@H](N)C(=O)O)cccc21 1535797108 ZFMKOLZJRZGHOF-MNOVXSKESA-N 234.255 0.624 10 10 BCCE CC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1940573451 FTZGKPKMIANJGD-SSDOTTSWSA-N 237.255 0.734 10 10 BCCE O=C(O)[C@@H]1C(=O)NC[C@@H]1c1cccc(O)c1O 1951593608 VDKZUYHGCQUMLR-SVRRBLITSA-N 237.211 0.012 10 10 BCCE N[C@]1(c2ccc(F)cc2O)C[C@@H]1C(=O)O 1952765209 UALKFEGBGOBAQY-XCBNKYQSSA-N 211.192 0.790 10 10 BCCE [N-]=[N+]=NCCCCN1CCN[C@H]2COC[C@H]21 1988231473 TZFSDTDTAMENLW-VHSXEESVSA-N 225.296 0.750 10 10 BCCE Cc1cccc(CNC[C@H](N)C(=O)O)c1O 1994449427 FIAXUHVEUQECOQ-VIFPVBQESA-N 224.260 0.202 10 10 BCCE N=c1cc[nH]c(=NCCc2ccc(N)cc2)[nH]1 2005677958 IEENHGZMXDQHQI-UHFFFAOYSA-N 229.287 0.548 10 10 BCCE CC1(NC(=O)CCc2ccc(N)cc2)CNC1 2016993555 DDYYKEVWWRKTOI-UHFFFAOYSA-N 233.315 0.680 10 10 BCCE Cc1ccc(CN[C@@H]2COCC[C@@H]2O)c(O)c1 2024815610 AQJYNPKDQDADHP-NEPJUHHUSA-N 237.299 0.940 10 10 BCCE CNCc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1 2029423140 JJADPEVRHUCLNM-KGLIPLIRSA-N 249.358 0.517 10 10 BCCE CN1CCc2cc([C@H](NN)c3cnn[nH]3)ccc21 2044752686 PZNDZEWRQHGCOH-LBPRGKRZSA-N 244.302 0.350 10 10 BCCE Cc1cc(N2[C@H]3CC[C@H]2C(=O)NC3)ccc1CO 2052289748 CFYUAHJRCWFJET-STQMWFEESA-N 246.310 0.955 10 10 BCCE Nc1ccc(NC(=O)NC[C@@H]2NC[C@H]3C[C@H]32)cc1 2078314554 AJNVKVVUFAUEJL-FXAINCCUSA-N 246.314 0.998 10 10 BCCE NCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2078790470 FCWLGABQDMKJKZ-DEQVHRJGSA-N 248.326 0.466 10 10 BCCE CC(C)(C)C[C@@H](CN)COc1nnc(=N)[nH]n1 2213783918 WATCQSUXNTXVKO-ZETCQYMHSA-N 240.311 0.069 10 10 BCCE COc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(F)c1 2214220543 GBTIYKRWIUCLFC-BDAKNGLRSA-N 241.262 0.766 10 10 BCCE COc1ccc(N2CC[C@@](O)(CO)C2)c(F)c1 2214234224 XMGHNUZKMSHDGF-LBPRGKRZSA-N 241.262 0.768 10 10 BCCE CCN(CC(N)=O)c1ccc(OC)cc1CO 2214861600 DXLVGTYFJAOSKZ-UHFFFAOYSA-N 238.287 0.499 10 10 BCCE [N-]=[N+]=NCC1CCN(CCOCC(N)=O)CC1 2217473839 LNRCMUVEYYHNTK-UHFFFAOYSA-N 241.295 0.511 10 10 BCCE C[C@]1(CN)C=CCN1C(=O)c1ccc(O)c(O)c1 2221459329 KDTCLCXVOGDHEA-CYBMUJFWSA-N 248.282 0.827 10 10 BCCE OCC1(O)CC(NCc2c(O)cccc2F)C1 2248619992 BKAROFXOROVKMF-UHFFFAOYSA-N 241.262 0.507 10 10 BCCE O[C@H]1CCN(c2ccc3c(c2)CCO3)CC[C@H]1O 2256979634 JWVMSLYWTYVNHT-BETUJISGSA-N 249.310 0.944 10 10 BCCE O=C1NC(=O)C(=CC=Cc2ccccc2)C(=O)N1 2296658386 CRQHPZFBGAKYRX-UHFFFAOYSA-N 242.234 0.992 10 10 BCCE CN(CCCN=[N+]=[N-])CC(=O)NC1CC1 42691925 QWXJUTTWZAZTFT-UHFFFAOYSA-N 211.269 0.897 10 10 BCCE [N-]=[N+]=NCCNC1(C(=O)O)CCNCC1 85223787 ALIBKQVUVJMDRM-UHFFFAOYSA-N 213.241 0.093 10 10 BCCE NCc1cc(F)c(N2CCNCC2)c(F)c1 88124989 WECOOSSTYNMXID-UHFFFAOYSA-N 227.258 0.833 10 10 BCCE CC[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCO1 90257704 QOEUNOWHRIPGSA-WPRPVWTQSA-N 241.295 0.699 10 10 BCCE COC(=O)[C@H](N)c1c(C)ccc(N)c1O 95706778 DRRQHXRGXZYVNV-MRVPVSSYSA-N 210.233 0.456 10 10 BCCE COc1ccc(O)c(CNC(C)(CO)CO)c1 125771144 YGGNFPGPJRGUQE-UHFFFAOYSA-N 241.287 0.234 10 10 BCCE COC[C@](NCCCN=[N+]=[N-])(C(N)=O)C(C)C 126902969 WDTYIAODFQRRJO-SNVBAGLBSA-N 243.311 0.803 10 10 BCCE Cc1cn2c(nc1=O)OC[C@@H](N=[N+]=[N-])C2 238552624 OWCYMOYYQLODGH-LURJTMIESA-N 207.193 0.623 10 10 BCCE N[C@H](CCO)c1cccc(C(=O)O)c1O 238676418 TUGJLMOWXHOAHQ-MRVPVSSYSA-N 211.217 0.473 10 10 BCCE CN(C)Cc1cc(F)cc(CON)c1O 257993903 GNRCPWUFXUDJDW-UHFFFAOYSA-N 214.240 0.983 10 10 BCCE CC(=O)O[C@H]1CO[C@@H](O)C[C@H]1N=[N+]=[N-] 307395022 GAZAQBFGZBMZMB-DSYKOEDSSA-N 201.182 0.336 10 10 BCCE O=C(O)[C@@H](O)CSc1nccs1 308120201 OSBNEUBNQSAJCD-BYPYZUCNSA-N 205.260 0.681 10 10 BCCE C[C@H](N[C@@H]1COC[C@H]1O)c1c(O)cccc1O 323415762 NILQFSOGQPFJDV-VAOFZXAKSA-N 239.271 0.508 10 10 BCCE CN[C@@H](CO)c1cc(O)c(O)cc1[N+](=O)[O-] 380629315 DOTOBXCUGBVEMV-LURJTMIESA-N 228.204 0.259 10 10 BCCE C[C@@H]1CN(Cc2cccc(O)c2O)CCN1 381403305 RQZZESOEDSVMLY-SECBINFHSA-N 222.288 0.892 10 10 BCCE NC(=O)C1(O)CCN(c2ccc(N)cc2)CC1 383351974 OSENCHHFOCOMNU-UHFFFAOYSA-N 235.287 0.085 10 10 BCCE Nc1ccc(OCCCN2CC(O)C2)cc1 383963667 GKVHTENUKXIMAZ-UHFFFAOYSA-N 222.288 0.714 10 10 BCCE CO[C@@H]1C[C@H](OC(C)=O)[C@H](CN=[N+]=[N-])O1 389460898 FSOGITFTBLZRND-FXQIFTODSA-N 215.209 0.990 10 10 BCCE Oc1ccc(CN[C@H]2CCOC[C@H]2O)c(O)c1 706766591 QXEYMXPFAIWIJV-CMPLNLGQSA-N 239.271 0.337 10 10 BCCE CN(C(=O)/C=C/c1cnccn1)c1cn[nH]c1 754337702 MRFGJHYYODGQIQ-NSCUHMNNSA-N 229.243 0.876 10 10 BCCE CN1CCO[C@H]2CN(Cc3ccccc3O)C[C@H]21 770506126 TZZGMBRVMNFDTM-OCCSQVGLSA-N 248.326 0.907 10 10 BCCE CS[C@@H](C)CC(=O)OCC(=O)C(C)=O 808531058 JUOPBOCPWSSHOQ-LURJTMIESA-N 218.274 0.829 10 10 BCCE NC(=O)[C@H]1C[C@H]1C(=O)NCc1ccccc1O 1182382846 MBBBVXDENDXQNQ-DTWKUNHWSA-N 234.255 0.130 10 10 BCCE [N-]=[N+]=NCCCCNS(=O)(=O)CCF 1884917336 ZLFOSBDLIUCEGP-UHFFFAOYSA-N 224.261 0.966 10 10 BCCE [N-]=[N+]=NC1CCN(C(=O)Cn2cnnc2)CC1 1912169491 LJEKZNDJYMLOGM-UHFFFAOYSA-N 235.251 0.579 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2COC[C@@H]2O)C1 1912184469 YQLQOFMHYJJILY-VGMNWLOBSA-N 212.253 0.521 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)NCC2CC2)C1 1912192863 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CCN(CCN=[N+]=[N-])C(=O)[C@]1(C)CNC(=O)C1 2300532705 ZWAAILAECFQFCN-JTQLQIEISA-N 239.279 0.671 10 10 BCCE Nc1ccc(CCN2CCNC(=O)C2)cc1 35677190 QKJVXNJIOAQUKR-UHFFFAOYSA-N 219.288 0.243 10 10 BCCE COc1ccc(O)c([C@H](C)NCc2nnn[nH]2)c1 44927589 QMXDGDLORXKMCZ-ZETCQYMHSA-N 249.274 0.765 10 10 BCCE [N-]=[N+]=NCCNS(=O)(=O)C[C@H]1CCCO1 63156913 IKMZXSPZRVSIBY-SSDOTTSWSA-N 234.281 0.395 10 10 BCCE COc1ccc2c(c1)NCCN2CC(N)=O 76926757 WKBIQXRTJCZZHN-UHFFFAOYSA-N 221.260 0.412 10 10 BCCE NC(=S)c1cc(O)c(O)c([N+](=O)[O-])c1 83347697 CBEDIZVFTQBVJX-UHFFFAOYSA-N 214.202 0.640 10 10 BCCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)[C@@H]1CCOC1 85225143 YVSJKPPVOIFLEH-HTQZYQBOSA-N 228.252 0.766 10 10 BCCE N[C@@H](c1ccc(O)cc1O)[C@@H](N)C1CC1 95837196 RBFKJNHCBBVPEM-QWRGUYRKSA-N 208.261 0.835 10 10 BCCE COc1cc(O)c([C@H](N)[C@H](C)N)c(OC)c1 95838806 NAQAPSFHVFYCIA-UPONEAKYSA-N 226.276 0.756 10 10 BCCE C[C@@H]1NCCN(c2ccc(N)cc2)C1=O 106884672 FUBSBXCGJLBYPM-QMMMGPOBSA-N 205.261 0.594 10 10 BCCE 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Cc1cccc(CN[C@H]2CCOC[C@H]2O)c1O 706720921 BZZWSXQSCZTJLJ-NWDGAFQWSA-N 237.299 0.940 10 10 BCCE c1cc2c(cc1CN[C@@H]1CNOC1)CCO2 904421788 RVZGBYNYNUIKEY-LLVKDONJSA-N 220.272 0.615 10 10 BCCE COC(=O)[C@H](N)C(C)(C)c1ccc(O)c(O)c1 1535868304 MNSCCVQZSMUDTE-JTQLQIEISA-N 239.271 0.876 10 10 BCCE Cc1nn[nH]c1NC(=O)c1cccc(O)c1O 1585946861 VPHATHGUNRGGLD-UHFFFAOYSA-N 234.215 0.777 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCC(C)(C)C[C@@H]1CN 1927141488 JZXSTVIGCPWAFW-BXKDBHETSA-N 227.304 0.661 10 10 BCCE Cn1ccc([C@@]2(CN)CCCOCC2)cc1=O 1941592879 YIVDGXRHXGJFPY-ZDUSSCGKSA-N 236.315 0.782 10 10 BCCE Cn1cnc(=NC(=O)Nc2ccc(N)cc2)[nH]1 1943132058 YYXKWMNRBUUNLD-UHFFFAOYSA-N 232.247 0.463 10 10 BCCE COC1(CO)CN(CCc2ccc(N)cc2)C1 1951061863 TXVHAYIBQYMPCI-UHFFFAOYSA-N 236.315 0.504 10 10 BCCE O=C1NC[C@H](Cc2ccc(O)c(O)c2)O1 1951653324 ZMQOSHHHFCBTGG-ZETCQYMHSA-N 209.201 0.749 10 10 BCCE N[C@H](Cc1ccc(O)c(O)c1)C(F)(F)C(=O)O 1952205076 SMNGINKDURJZPG-MRVPVSSYSA-N 247.197 0.688 10 10 BCCE CO[C@H](c1cc(O)nc(O)c1)C1(N)CC1 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49363767 KEAJMBROASCRKL-SSDOTTSWSA-N 237.259 0.952 10 10 BCCE COc1cc(N2C(=O)N[C@H](C)C2=O)ccc1N 1950880342 NOVVZRCMZYQKGY-ZCFIWIBFSA-N 235.243 0.722 10 10 BCCE Oc1ccc(CNCc2nnc[nH]2)c(O)c1O 236590066 WBIHQVSMOBQAHD-UHFFFAOYSA-N 236.231 0.211 10 10 BCCE CN(Cc1nnn[nH]1)c1ccc(N)cc1 95313476 PSIMPTKLWYWFQC-UHFFFAOYSA-N 204.237 0.418 10 10 BCCE CCOC(=O)[C@@H](O)c1ccc(F)c(O)c1O 258333442 DCKSQMREPHDXRM-QMMMGPOBSA-N 230.191 0.833 10 10 BCCE CN1C(=O)C[C@@H](O)[C@H]1c1ccccc1O 257841893 KHRIWBZMDGTKNB-MWLCHTKSSA-N 207.229 0.656 10 10 BCCE O=C(O)[C@]1(c2ccccc2O)COCCN1 258231677 MNTDPBDVFUUREZ-LLVKDONJSA-N 223.228 0.292 10 10 BCCE COC(=O)c1cc(CNO)c(O)c(OC)c1 258371304 HLKDTJWOPYMPRJ-UHFFFAOYSA-N 227.216 0.666 10 10 BCCE O=S1(=O)CCN[C@H](c2ccccc2O)C1 258214658 LFAOGMQSIIEGMR-VIFPVBQESA-N 227.285 0.451 10 10 BCCE C[C@](O)(CC(=O)O)c1cc(O)c(O)c(O)c1 1951525612 TYTIVWSWTORTPS-JTQLQIEISA-N 228.200 0.486 10 10 BCCE OC[C@H]1CNC[C@@H]1Cc1ccc(O)c(O)c1 1951727437 WTTCUPYXZAAUPS-VHSXEESVSA-N 223.272 0.468 10 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NMUFEXPLBRGDCS-JTQLQIEISA-N 235.243 0.942 10 10 BCCE C[C@H](NCC(CO)CO)c1ccc(O)cc1O 2009641870 ITBTZRSGMKHWDO-QMMMGPOBSA-N 241.287 0.349 10 10 BCCE Cn1c(C2=C[C@H](O)[C@@H](N)C2)nc2ncccc21 2014505815 ULCUQVQFKQGRST-WPRPVWTQSA-N 230.271 0.444 10 10 BCCE Cc1nc(=NCCOc2ccc(N)cc2)n(C)[nH]1 2032469626 TWBGWGUZGOBXIZ-UHFFFAOYSA-N 247.302 0.619 10 10 BCCE C[C@@H]1N[C@H](c2cccc(F)c2O)NC1=O 309109278 JDRCSGMGTXZWJP-CDUCUWFYSA-N 210.208 0.638 10 10 BCCE Nc1ccc(CCNC(=O)[C@]23COC[C@H]2C3)cc1 701916735 FBNWLLYZIPPGMJ-BXUZGUMPSA-N 246.310 0.964 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@H]2COC[C@@H]2C1 718199451 IQACFJSAHKZIHX-IUCAKERBSA-N 249.266 0.816 10 10 BCCE O=C1NCC[C@H]1NCc1ccc2c(c1)CCCO2 922237076 NXNGNRBGWWLUKV-GFCCVEGCSA-N 246.310 0.990 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2Cc3nncn3C2)C1 2048782736 FUIOTWCYTQMSBS-JGVFFNPUSA-N 247.262 0.362 10 10 BCCE Cc1cc(N2[C@H]3CC[C@H]2C(=O)NC3)ccc1CN 2052292927 STKFFUBIEHWJLT-STQMWFEESA-N 245.326 0.921 10 10 BCCE Cc1cccc(CN2C[C@H]3NC(=O)O[C@@H]3C2)c1O 2056810056 XXIVMMOHRBFWQN-GHMZBOCLSA-N 248.282 0.993 10 10 BCCE Cc1cc(N2CC(CNC(N)=O)C2)ccc1CO 2067123320 KHTYAZDJVKSADT-UHFFFAOYSA-N 249.314 0.592 10 10 BCCE Nc1ccc(OCC(=O)NC[C@@H]2CCCN2)cc1 2071676716 KLAOWYQXKOEZQN-NSHDSACASA-N 249.314 0.516 10 10 BCCE O=C(Nc1nccc(O)n1)c1cc(O)nc(O)c1 2072656046 OLMWDJMMWPEANY-UHFFFAOYSA-N 248.198 0.241 10 10 BCCE C[C@H]1Cc2cc(N(CCO)CCO)ccc2O1 2214139090 ONBLCGCQTIPSJV-JTQLQIEISA-N 237.299 0.801 10 10 BCCE OCc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1 2248609290 CWURUJWRXADFBU-BETUJISGSA-N 237.299 0.501 10 10 BCCE N[C@H]1C(=O)Nc2cc(N3CCO[C@@H]4C[C@@H]43)ccc21 2309491237 MHMZNYXPOVCDHG-QJPTWQEYSA-N 245.282 0.616 10 10 BCCE N[C@H](Cc1cc(O)c(O)c(F)c1)C(=O)O 1592824 HAAXTGIFJHNHSX-ZCFIWIBFSA-N 215.180 0.191 10 10 BCCE N[C@H](CO)c1c(F)ccc(C(=O)O)c1O 72198246 UCBNAODEMXHVHL-ZCFIWIBFSA-N 215.180 0.222 10 10 BCCE COc1ccc(CC(=O)O)c([C@H](N)CO)c1O 72198950 IPZILEFFHSWLBF-SSDOTTSWSA-N 241.243 0.020 10 10 BCCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)C1CC1 82364624 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10 10 BCCE CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 140492469 DPORWUYRVLHXJT-UHFFFAOYSA-N 232.217 0.672 10 10 BCCE C[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(=O)O 168945595 GCYYPEPYPPMLKD-WCBMZHEXSA-N 241.295 0.729 10 10 BCCE CC(=O)O[C@H]1[C@H](N=[N+]=[N-])C[C@H](O)O[C@@H]1C 196785365 PFRKCSWGXRPANJ-XVFCMESISA-N 215.209 0.724 10 10 BCCE COc1ccc(N2CCOC[C@@H]2CN)cc1 221656900 GBWCZCDWUZQFLS-NSHDSACASA-N 222.288 0.859 10 10 BCCE Cn1nccc1CNC(=O)c1ccc(O)c(O)c1 226954278 MXSZKIQMRUCVAA-UHFFFAOYSA-N 247.254 0.761 10 10 BCCE Oc1ccccc1CNC[C@@H](O)Cn1cccn1 228414363 SRQPNYXOOOHDDV-GFCCVEGCSA-N 247.298 0.739 10 10 BCCE COC(=O)[C@H](N)c1cc(O)c(F)cc1O 260239413 SUYRNUZEDHEHQI-MRVPVSSYSA-N 215.180 0.410 10 10 BCCE CN[C@H](CO)c1ccc(F)c(C(=O)O)c1O 309384518 LKTCHRVGPXVDAM-SSDOTTSWSA-N 229.207 0.482 10 10 BCCE C[C@H]1CC[C@]1(NCCCN=[N+]=[N-])C(N)=O 379771116 AIFACFQIXCUWBX-IONNQARKSA-N 211.269 0.930 10 10 BCCE Cc1ccc(CNC(=O)[C@@H](C)N)c(O)c1 379788888 GJUTYIWJSJSNBL-MRVPVSSYSA-N 208.261 0.664 10 10 BCCE 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N[C@H](c1ccccc1O)[C@H](O)c1cncnc1 1943690711 NNDMRDMCWQLMBG-VXGBXAGGSA-N 231.255 0.916 10 10 BCCE CCOC(=O)[C@](C)(N)c1cc(O)ccc1O 1951720889 ANMZVNNAMKKZEF-LLVKDONJSA-N 225.244 0.835 10 10 BCCE COc1cccc(O)c1[C@@H]1CN(C)C(=O)CN1 1951858419 WIJJCXPCXQADIY-QMMMGPOBSA-N 236.271 0.504 10 10 BCCE COC(=O)[C@@H](N)[C@@H](OC)c1ccc(O)c(O)c1 1952306846 RLPCYUCTCMXVON-UWVGGRQHSA-N 241.243 0.286 10 10 BCCE N[C@@]1(c2c(O)cccc2F)C[C@H]1C(=O)O 1952772821 PSVHZKCADOVTEB-RRAGMBSWSA-N 211.192 0.790 10 10 BCCE COCC1([C@@H](O)C(=O)C(C)=O)CC=CC1 1957615020 ZWABJBGEXZBBKO-JTQLQIEISA-N 212.245 0.488 10 10 BCCE CN(C)C[C@@H](NN)c1ccc(N(C)C)cc1 1977945464 OBCXRBIWKIVGEN-GFCCVEGCSA-N 222.336 0.819 10 10 BCCE CCOc1nc(C(=O)CC(=O)C(C)=O)co1 1981498692 RYZYSWZFZZEMQH-UHFFFAOYSA-N 225.200 0.804 10 10 BCCE Nc1ccc(N[C@H]2[C@H]3OCC[C@H]3[C@H]2N)cc1 1989356984 WHMZGUHEQZCJQK-QCNOEVLYSA-N 219.288 0.795 10 10 BCCE C[C@@]1(CO)CNCCN1c1ccc(N)cc1 1989361951 ZIQIHJPNGDPDGE-LBPRGKRZSA-N 221.304 0.429 10 10 BCCE 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CN(C)c1ccc([C@@H](O)[C@H]2CNCCO2)cc1 1999505189 MVROODWNQINVFD-CHWSQXEVSA-N 236.315 0.774 10 10 BCCE NC(=O)C1[C@H]2CN(c3ccc(CO)cc3)C[C@H]12 2023112969 KULAAORGINKBNO-QWRGUYRKSA-N 232.283 0.346 10 10 BCCE c1cc2c(cc1CNCc1nn[nH]n1)CCCO2 2027296710 NHKBPONAMMMMRH-UHFFFAOYSA-N 245.286 0.815 10 10 BCCE CN(C)c1ccc([C@@H](O)CN2CC[C@@H](N)C2)cc1 2050172226 BNTNIUYALSXCLA-OCCSQVGLSA-N 249.358 0.819 10 10 BCCE Nc1ccc(NC(=O)NCc2nc(=O)o[nH]2)cc1 2052630900 BYVVXLYPRSIWJF-UHFFFAOYSA-N 249.230 0.267 10 10 BCCE CS(=O)(=O)[C@H]1C[C@H](C(=O)NCCN=[N+]=[N-])C1 2244009251 HYDMXKFDNAMSSN-LJGSYFOKSA-N 246.292 0.236 10 10 BCCE CN(CC1COC1)c1ccc2c(c1)NC(=O)[C@H]2O 2257534353 RXTALLSEGKHRQT-LBPRGKRZSA-N 248.282 0.755 10 10 BCCE CC(C)(/N=N/c1nonc1N)[N+](=O)[O-] 4565010 ZFOQUIUMZKREOP-JXMROGBWSA-N 200.158 0.748 10 10 BCCE CCN1CCN(c2ccc(N)cc2)C(=O)C1 83254460 BDINMDYQONAOKM-UHFFFAOYSA-N 219.288 0.937 10 10 BCCE CNCc1nnc([C@@H](N)c2cccc(C)c2O)o1 83378507 MAYKSPWVCZWBAI-JTQLQIEISA-N 248.286 0.851 10 10 BCCE 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BCCE CS(=O)(=O)Nc1ccc(O)cc1C=O 238372444 SOGBQEMRYGOBBP-UHFFFAOYSA-N 215.230 0.576 10 10 BCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(C)c1 234381385 NFBIFJGWSSZUHQ-STQMWFEESA-N 236.315 0.256 10 10 BCCE Oc1ccc(F)c([C@H]2CNCCO2)c1O 258155102 XGQFZIPEVBSAKG-MRVPVSSYSA-N 213.208 0.898 10 10 BCCE N[C@H](CO)c1c(O)c(O)cc(O)c1Cl 258256577 TULGCLTYGVZAHL-GSVOUGTGSA-N 219.624 0.449 10 10 BCCE C[C@](N)(CO)c1ccc(CC(=O)O)cc1O 380728334 PUJKQZIFIMRDRG-NSHDSACASA-N 225.244 0.186 10 10 BCCE NCCC[C@@H](N)c1ccc(O)c(O)c1O 575439444 LVKGXGKJJCULEH-SSDOTTSWSA-N 212.249 0.542 10 10 BCCE CCOC(=O)[C@@]1(c2cccc(O)c2O)C[C@@H]1N 1952676010 SYKLPAFRVXTEDN-JOYOIKCWSA-N 237.255 0.630 10 10 BCCE Nc1ccc(CC(=O)N[C@H]2C[C@@H](N)C2)cc1 1346419407 MYCQQFSBDGPVRB-PHIMTYICSA-N 219.288 0.417 10 10 BCCE Nc1ccc(OCCn2cc(CO)nn2)cc1 62430678 GKFDCIFLUDXCLE-UHFFFAOYSA-N 234.259 0.432 10 10 BCCE C[C@@H]1C(=O)NC(=O)CN1Cc1ccc(N)cc1 97290148 SCIPHKAIHKJYIO-MRVPVSSYSA-N 233.271 0.116 10 10 BCCE CCc1cccc(CNC[C@H](O)[C@@H](C)O)c1O 717363556 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232.330 0.373 10 10 BCCE O=C(NC1[C@H]2CNC[C@H]12)c1ccc(O)c(O)c1 236584663 PETRDKYEBMRFII-YUMQZZPRSA-N 234.255 0.045 10 10 BCCE CN(CCO)c1ccc([C@H](N)CN)cc1 44472150 PPTGOVASIZKAMQ-LLVKDONJSA-N 209.293 0.074 10 10 BCCE CC1(C)NCCN(c2ccc(N)cc2)C1=O 84490360 UCMBRYNOBZHLNJ-UHFFFAOYSA-N 219.288 0.984 10 10 BCCE CC[C@@H](O)CCNC(=O)c1ccc(O)c(O)c1 227040631 MIWZMKXUOHCNFZ-SECBINFHSA-N 239.271 0.989 10 10 BCCE COC[C@@H](NCCCN=[N+]=[N-])C(=O)OC 380036104 SDKQSFOGTNCLPF-SSDOTTSWSA-N 216.241 0.464 10 10 BCCE COc1c(F)cc(F)c(O)c1[C@H](N)CO 258042129 BNRZKKROMTXMEA-ZCFIWIBFSA-N 219.187 0.671 10 10 BCCE COC(=O)C[C@@H](N)c1c(O)ccc(O)c1F 260019788 NFELAXPZSLJNDB-RXMQYKEDSA-N 229.207 0.800 10 10 BCCE O=C1CNC[C@H](c2ccc([N+](=O)[O-])cc2O)N1 1952078440 YPAWRSJDPMILHQ-MRVPVSSYSA-N 237.215 0.061 10 10 BCCE CC1=S=C/C(=C2/N=C[C@H](C([O])=O)O2)C1 725631730 BGGKACDMCIDTKW-QHRPWQPMSA-N 210.234 0.756 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1ccc[nH]c1=O 42012386 WVQFFEZEXWOGBX-UHFFFAOYSA-N 207.193 0.415 10 10 BCCE CN(C)Cc1cc(C[C@](C)(N)CO)ccc1O 1952501065 FMNNNGVIYFOZOO-ZDUSSCGKSA-N 238.331 0.706 10 10 BCCE COC[C@@H](O)CNCc1ccc(OC)cc1O 71265708 NRCZAEAQYXOSLE-JTQLQIEISA-N 241.287 0.498 10 10 BCCE C[C@@H](F)CS(=O)(=O)NCCN=[N+]=[N-] 1881967822 LCPGAMKVFMOSOM-RXMQYKEDSA-N 210.234 0.574 10 10 BCCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CO)cc1 698135491 CZLVSOXQQBKDGE-STQMWFEESA-N 237.299 0.501 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 2248226151 HYRVLILPVGAVKI-RNJXMRFFSA-N 237.263 0.267 10 10 BCCE [N-]=[N+]=NC1CN(C[C@@H]2COCCCO2)C1 1912172356 TVQVWDWLFSLHAA-SECBINFHSA-N 212.253 0.786 10 10 BCCE CCc1c(C(=O)NCCCN=[N+]=[N-])nnn1C 1912202171 CQHGZAKPFVQHTH-UHFFFAOYSA-N 237.267 0.808 10 10 BCCE COc1ccc2c(c1)[C@H]([C@H](N)CO)CCN2C 215185519 ULQMXOJZJSGHHN-ZYHUDNBSSA-N 236.315 0.938 10 10 BCCE CN(C)Cc1cc([C@@H](O)CO)ccc1O 1535710105 NJCHHTKMNRCIEQ-NSHDSACASA-N 211.261 0.480 10 10 BCCE Oc1ccc(C[C@]2(O)CCCNC2)c(O)c1O 1535834579 YECJRBRCITWOFS-GFCCVEGCSA-N 239.271 0.460 10 10 BCCE CC(=O)C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 1929160587 IEHFKKOMOFHBFO-UHFFFAOYSA-N 243.259 0.126 10 10 BCCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CCCCO1 1929235665 AFUSGAGWWSJSLH-WCBMZHEXSA-N 200.234 0.465 10 10 BCCE CCN[C@H](C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961042982 IUJAGVFKEFKSDR-IWSPIJDZSA-N 212.293 0.250 10 10 BCCE C[C@H](N)C(=O)N1C(=O)CC(=O)N1c1ccccc1 105649210 NWUQTUXGSNZAJN-QMMMGPOBSA-N 247.254 0.041 10 10 BCCE NCCCCS(=O)(=O)Nc1ccc(O)cc1 1936838883 UZBGWOKAQTYQTO-UHFFFAOYSA-N 244.316 0.873 10 10 BCCE Cc1ccc(CN(CCO)CC(=O)O)c(O)c1 1963044605 IWKQYPJHTPKAEU-UHFFFAOYSA-N 239.271 0.580 10 10 BCCE C[C@@H]1C(=O)CCN1C(=O)c1ccc(O)c(O)c1 2004559447 AVSUXGBZIZENLK-SSDOTTSWSA-N 235.239 0.901 10 10 BCCE CC[C@@H]1NCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003172737 PSAPVNJWMIQIHP-DBIOUOCHSA-N 238.331 0.640 10 10 BCCE CC(=O)C(=O)[C@H](O)c1cc(C2CC2)n(C)n1 1986078287 AULXAALJJOMYQK-LLVKDONJSA-N 222.244 0.489 10 10 BCCE C[C@@H](c1ccccc1O)N(C)C[C@H](O)CN 1989687141 JCMDYWGUUOXVJJ-VHSXEESVSA-N 224.304 0.705 10 10 BCCE 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NC(=O)CC1CN(c2ccc3c(c2)CC[C@H]3N)C1 2065067656 FMNUVJRHJDVBSC-CYBMUJFWSA-N 245.326 0.944 10 10 BCCE COc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(C)c1 2214209047 DUCDNFIKSYHORP-PHIMTYICSA-N 237.299 0.936 10 10 BCCE Nc1ccc(N2CC(CN3CCNCC3)C2)cc1 2221253473 LEBNKLNXHBFAGY-UHFFFAOYSA-N 246.358 0.610 10 10 BCCE C[C@H](NC(=O)[C@H]1C[C@@H]1C(N)=O)c1ccccc1O 2256391715 RSIVYXMPIBTPMP-HGNGGELXSA-N 248.282 0.691 10 10 BCCE CN(Cc1ccccc1O)[C@@](C)(CN)C(=O)O 2305501353 CZISZEPLZXVBQX-LBPRGKRZSA-N 238.287 0.626 10 10 BCCE COCCCNC=C1C(=O)OC(C)(C)OC1=O 100248954 YATIDRNJHCTMED-UHFFFAOYSA-N 243.259 0.333 10 10 BCCE C[C@@H](N)c1cccc(N2CCNCC2)c1O 309216304 VNSZXNAOZJSPRE-SECBINFHSA-N 221.304 0.822 10 10 BCCE COC(=O)[C@H](N)CCc1cc(O)c(O)c(O)c1 1951403070 SBIXISSOCYAXSR-SSDOTTSWSA-N 241.243 0.236 10 10 BCCE N=[N+]=NS(=O)(=O)c1ccc(C(=O)O)cc1 33940204 IMQRODWPFHSIAW-UHFFFAOYSA-O 228.209 0.624 10 10 BCCE C[C@H]1NC(=O)NN=C1c1ccc(N)cc1 39631483 RFIKVHSAMRFXOM-ZCFIWIBFSA-N 204.233 0.674 10 10 BCCE C[C@H](N)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 235498636 WTOJWTADPMWVMN-JGVFFNPUSA-N 238.287 0.953 10 10 BCCE Oc1ccccc1CNCCn1ncnn1 380077802 RNPPLOATLSDYDA-UHFFFAOYSA-N 219.248 0.169 10 10 BCCE COc1ccc(O)c([C@H]2CN(C)C(=O)CN2)c1 1951856807 AKNWYVVLRKOXOG-SNVBAGLBSA-N 236.271 0.504 10 10 BCCE OCc1ccc(O)c([C@@H]2COCCN2)c1 238685299 UYRXXEXQWHLACW-JTQLQIEISA-N 209.245 0.545 10 10 BCCE C[C@@H]1C[C@@H](O)CN1Cc1cc(N)ccc1O 384975336 IGGCTLICSWJCNX-LDYMZIIASA-N 222.288 0.930 10 10 BCCE N[C@@H](CO)c1c(Br)ccc(O)c1O 258276496 DATYKUXYAPNUSX-YFKPBYRVSA-N 248.076 0.852 10 10 BCCE N[C@@H]1[C@@H]2CN(Cc3ccccc3O)C(=O)[C@H]21 259418244 SRAVZGFUCUZMSU-FBIMIBRVSA-N 218.256 0.308 10 10 BCCE COC[C@@H](N)[C@@H](N)c1cc(F)ccc1O 396755417 AYRYDQJDSNSBAS-SCZZXKLOSA-N 214.240 0.505 10 10 BCCE NC[C@H]1CNC[C@@H]1c1cccc(O)c1O 396975273 NXTDGVHQDZFWJX-CBAPKCEASA-N 208.261 0.360 10 10 BCCE COC(=O)C(C)(C)[C@H](N)c1cc(O)nc(O)c1 1952464057 UKMRLEZEZDJPFT-SECBINFHSA-N 240.259 0.692 10 10 BCCE CCOC(=O)[C@H]1C[C@]1(N)c1ccc(O)c(O)c1 1952774197 FENNTTROEHZQGW-PELKAZGASA-N 237.255 0.835 10 10 BCCE CN1CC(=O)N[C@H]1c1ccc(F)c(F)c1O 864373272 GDQGIKUZRBIPDV-SNVBAGLBSA-N 228.198 0.731 10 10 BCCE Oc1ccccc1CN[C@H]1CCOC[C@@H]1O 706791336 VAAINFVVPIBGSM-JQWIXIFHSA-N 223.272 0.632 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cn[nH]c1 693494076 CUHBHCVTLKKTMN-ZETCQYMHSA-N 224.224 0.825 10 10 BCCE CCc1c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)nnn1C 1912170535 YIQFGCXPRVVFNH-SSDOTTSWSA-N 249.278 0.902 10 10 BCCE C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912170648 ZZFPIDFKRHDBQP-YIZRAAEISA-N 240.263 0.702 10 10 BCCE [N-]=[N+]=NCCCCN1CCS(=O)(=O)CC1 1912156660 NTRSDWBROGWLIY-UHFFFAOYSA-N 232.309 0.807 10 10 BCCE CN(C)C[C@H](O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912206588 SYLYFRYOFKMCOV-QWRGUYRKSA-N 241.339 0.931 10 10 BCCE Nc1ccc(CNCCC(CO)CO)cc1 1986427063 AIIQIACAIFSOCO-UHFFFAOYSA-N 224.304 0.349 10 10 BCCE CCN(c1ccc2c(c1)NC(=O)[C@H]2N)C1COC1 1915655227 KWZWIXOUZZRXTD-LBPRGKRZSA-N 247.298 0.864 10 10 BCCE CN(C)c1ccc([C@](C)(N)C(CO)CO)cc1 1927623414 DYLAGNYWYDPMAY-ZDUSSCGKSA-N 238.331 0.527 10 10 BCCE NC(=O)[C@@H](Nc1ccc(N)cc1)C1CC1 1932377975 QWMJMYODJGUWOO-JTQLQIEISA-N 205.261 0.945 10 10 BCCE CNC(=O)CSc1ncc(CN)s1 1934273765 OZLBHDYEDQNUAE-UHFFFAOYSA-N 217.319 0.440 10 10 BCCE NC[C@H]1COCCN1Cc1ccc(O)c(O)c1 1947614344 DDYHZWHXKKFUFN-JTQLQIEISA-N 238.287 0.257 10 10 BCCE Nc1ccc(CC(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 1964353486 DXQXUNWTEDATCB-PJXYFTJBSA-N 231.299 0.227 10 10 BCCE [N-]=[N+]=NCCN1CC[C@]2(CNC(=O)N2)C1 1974947632 ODBVKUOUPLLZPP-QMMMGPOBSA-N 210.241 0.054 10 10 BCCE OC[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1O 1975553151 RDPNFLVQYKPPIO-SFYZADRCSA-N 225.244 0.274 10 10 BCCE C[C@@H](CO)S(=O)(=O)NCc1ccccc1O 1975664061 CGLPFKQKTAPHOU-QMMMGPOBSA-N 245.300 0.192 10 10 BCCE COc1ccc(N2C[C@H](N)C[C@@H](O)C2)cc1F 2002710892 QFJJTICMEVMUCF-PSASIEDQSA-N 240.278 0.733 10 10 BCCE CN(CCCCN=[N+]=[N-])C[C@H]1COCCN1 1982245866 MXWOUTGIUMWGRJ-JTQLQIEISA-N 227.312 0.997 10 10 BCCE 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249.278 0.713 10 10 BCCE Cc1cc(CO)ccc1N1CC[C@H]1[C@H](O)CO 2249562153 CQTATHNIZHXAGS-QWHCGFSZSA-N 237.299 0.419 10 10 BCCE Nc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1 1646794 BNPLPIINVNQKFK-UHFFFAOYSA-N 218.216 0.389 10 10 BCCE COCCCCC[C@H](O)C(=O)C(C)=O 1890496965 MSVVJLFQYPIDPN-VIFPVBQESA-N 202.250 0.712 10 10 BCCE C[C@@H]1CNCC(=O)N1c1ccc(N)cc1 106884727 YIHRVNYYXLTWKB-MRVPVSSYSA-N 205.261 0.594 10 10 BCCE CN1C[C@H](O)[C@H](N2CCC(CN=[N+]=[N-])CC2)C1 1950779967 JRZGJRHYDVHHQL-MNOVXSKESA-N 239.323 0.684 10 10 BCCE CN1CCC[C@](NCCN=[N+]=[N-])(C(=O)O)C1 134328882 UETIMOKVPDWNRL-SECBINFHSA-N 227.268 0.435 10 10 BCCE O=[N+]([O-])c1ccc(O)c([C@@H](CO)NO)c1 308759985 IBRHZMGCVJRUOC-SSDOTTSWSA-N 214.177 0.313 10 10 BCCE C[C@H](O)CCOC(=O)COc1ccc(N)cc1 122878271 HEGLWIIOYBQADS-VIFPVBQESA-N 239.271 0.962 10 10 BCCE Nc1ccc(CCC(=O)NN2CCOCC2)cc1 214782583 IHRHOIIZUNMJRC-UHFFFAOYSA-N 249.314 0.565 10 10 BCCE CCNC(=O)[C@H](N)Cc1ccc(O)c(O)c1 77558546 FDIPEZLEPAIQJM-MRVPVSSYSA-N 224.260 0.104 10 10 BCCE CN1CC(NCc2cc(F)ccc2O)C1 379219117 RVLCTSVTEOHXBA-UHFFFAOYSA-N 210.252 0.935 10 10 BCCE COCCCNC(=O)c1ccc(O)c(O)c1 226951384 CBANMXOYYKGKCR-UHFFFAOYSA-N 225.244 0.864 10 10 BCCE O=C1COC[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 1951853576 HLYBPDLCRBDMNH-QMMMGPOBSA-N 238.199 0.488 10 10 BCCE O=C1O[C@H](C(=O)O)c2ccc(O)c(O)c21 238635852 ZIPYHQYYEXZGCV-ZETCQYMHSA-N 210.141 0.394 10 10 BCCE COC(=O)[C@H](N)c1ccc(F)c(N)c1O 95707024 IXCAQZCZXIPBEL-ZCFIWIBFSA-N 214.196 0.286 10 10 BCCE CC(=O)C(=O)N1C(=O)Cc2cc(N)ccc21 259028379 UAYKLQSLXNDYSH-UHFFFAOYSA-N 218.212 0.274 10 10 BCCE COC(=O)C[C@H](N)c1cccc(CO)c1O 260224420 RWJOBHWKCUBTDA-VIFPVBQESA-N 225.244 0.447 10 10 BCCE COc1cccc(O)c1[C@H]1NCC[C@@H]1O 1952056548 ZQXJOKWYMXYWMS-KWQFWETISA-N 209.245 0.796 10 10 BCCE CC[C@@H](N)[C@@H](N)c1c(O)cc(O)cc1O 397088997 ZXKSJKMDOKIEHA-LHLIQPBNSA-N 212.249 0.541 10 10 BCCE N[C@H]1CC(=O)c2c(C(=O)O)ccc(O)c21 713776842 ZGILCOOLOOKXFG-YFKPBYRVSA-N 207.185 0.677 10 10 BCCE [N-]=[N+]=NCCCN1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2 1896555615 SJQDBJXPLFVOJG-QEYWKRMJSA-N 226.280 0.645 10 10 BCCE CCN1CCN(CCCN=[N+]=[N-])CC1=O 1958240153 TVYDJLMLTSHFSL-UHFFFAOYSA-N 211.269 0.851 10 10 BCCE Oc1ccccc1CN1CCO[C@H]2CNC[C@H]21 686547141 XYVPGTBOGSYGFH-YPMHNXCESA-N 234.299 0.565 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](O)C(F)(F)C1 1912199657 VWAVCPJPXHHKRD-LURJTMIESA-N 206.196 0.999 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)N2CC[C@@H](O)C2)C1 1912186955 DCLZCODHEWLMAP-RKDXNWHRSA-N 239.279 0.805 10 10 BCCE [N-]=[N+]=NC1CN(C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 1912193376 NTJDBZNHIARWBT-QNSHHTMESA-N 224.264 0.785 10 10 BCCE C[C@H](CN1CCC[C@H](N=[N+]=[N-])C1)C(N)=O 1912163197 GPMNRZSVIAFMSJ-SFYZADRCSA-N 211.269 0.883 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccsn1 1960524397 YWXRGNILSGHVKX-ZCFIWIBFSA-N 226.265 0.569 10 10 BCCE COCCN1CC[C@](N)(c2ccccc2O)C1 1942394585 BNFIVOFKNSRGIA-CYBMUJFWSA-N 236.315 0.898 10 10 BCCE NC[C@@H]1COCCN1Cc1ccc(O)c(O)c1 1947614345 DDYHZWHXKKFUFN-SNVBAGLBSA-N 238.287 0.257 10 10 BCCE C[C@@H](O)[C@H](O)CNCc1c(O)cccc1F 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BCCE COCCNC(=O)Nc1cc(O)c(O)c(O)c1 217278656 BBGIVBCISZIDQP-UHFFFAOYSA-N 242.231 0.571 10 10 BCCE Nc1ccc(O)c2c1CC[C@]2(N)C(=O)O 238606283 UJFYBKDTYWWLBA-SNVBAGLBSA-N 208.217 0.159 10 10 BCCE Cc1cc([C@H](O)CN)c(F)c(O)c1O 258071551 IBZOYRBGXDHQEL-ZCFIWIBFSA-N 201.197 0.537 10 10 BCCE CC(C)(N)c1c(O)cccc1S(C)(=O)=O 258460766 PAKKRDJQWRSNFK-UHFFFAOYSA-N 229.301 0.990 10 10 BCCE Nc1ccc2c(c1)CC(=O)N2C(=O)C1(N)CC1 258834118 SENKNXPTAKJMQK-UHFFFAOYSA-N 231.255 0.176 10 10 BCCE Nc1ccc(NC2CS(=O)(=O)C2)cc1 307463874 FPWZZHKHDOOALD-UHFFFAOYSA-N 212.274 0.478 10 10 BCCE COC(=O)[C@H](NO)c1ccc(O)c(O)c1 308938108 DGBLDMZZTFGNLM-MRVPVSSYSA-N 213.189 0.291 10 10 BCCE CC[C@H](NCc1ccc(O)c(O)c1)C(N)=O 379261498 NDTBJAZQLMJZCZ-QMMMGPOBSA-N 224.260 0.451 10 10 BCCE NC(=O)C1CN(Cc2ccc(N)cc2)C1 381895037 WFDYUVKALMVKFI-UHFFFAOYSA-N 205.261 0.186 10 10 BCCE Nc1ccc(OCCN2CCS2(=O)=O)cc1 395558692 GFMTYWZZLXDASC-UHFFFAOYSA-N 242.300 0.293 10 10 BCCE CN1CC[C@H](N(C)CCCN=[N+]=[N-])C1=O 690139594 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1939813514 GDKJSCSNMCUYMM-NXEZZACHSA-N 225.296 0.436 10 10 BCCE CC(=O)[C@@H](O)Cc1ccc(O)c(O)c1O 1952080791 FRNSZGJWSWYPPH-QMMMGPOBSA-N 212.201 0.296 10 10 BCCE Cc1c([C@@H](N)[C@H](O)C(=O)O)c2ccccc2n1C 1952101292 LYPVVLNCTFTPMB-NEPJUHHUSA-N 248.282 0.932 10 10 BCCE O=C1CNC[C@H](c2cc(F)cc(F)c2O)N1 1952384348 FBHFJLKMNQFXHZ-MRVPVSSYSA-N 228.198 0.431 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 1958761428 SILDNVDNCHWWJM-XSPKLOCKSA-N 212.253 0.113 10 10 BCCE CC(=O)C(=O)[C@H](O)c1ccn(C(C)C)n1 1961962461 BABQOIJIRMAVTL-SNVBAGLBSA-N 210.233 0.656 10 10 BCCE CN(CCCN=[N+]=[N-])C[C@H]1COCCN1 1962299281 LJBIWZYBFJCVKS-VIFPVBQESA-N 213.285 0.607 10 10 BCCE Cn1cnnc1CNCc1c(O)cccc1F 1964575449 FIWPGDCFWUITKE-UHFFFAOYSA-N 236.250 0.950 10 10 BCCE COC(=O)C(=O)NCCc1ccc(N)cc1 1977547500 VHCMHOCBIBEUQY-UHFFFAOYSA-N 222.244 0.101 10 10 BCCE COc1ccc(N(C)C[C@H](O)CN)c(N)c1 1989345212 NPXVIJZXMPYCFV-MRVPVSSYSA-N 225.292 0.033 10 10 BCCE COc1cccc(O)c1[C@H](C(=O)O)N(C)C=O 1997931695 ABZQXCAPZQSSSK-SNVBAGLBSA-N 239.227 0.615 10 10 BCCE Cc1cccc(O)c1CNC[C@H]1COC[C@@H]1O 1997969476 YBPAIMADOOOVHF-GWCFXTLKSA-N 237.299 0.798 10 10 BCCE CCN(CCCCN=[N+]=[N-])[C@H]1CC(=O)NC1=O 2004293997 ACOZKWXIZVDYBD-QMMMGPOBSA-N 239.279 0.814 10 10 BCCE Cc1cccc(N)c1N[C@H]1CNCC[C@@H]1CO 2016928273 YPASKRNDWLNNOP-PWSUYJOCSA-N 235.331 0.960 10 10 BCCE CN[C@@H](c1ccccc1O)[C@@H]1CN2CCN1CC2 2029554908 DOYDBVJLFGAEGW-JSGCOSHPSA-N 247.342 0.653 10 10 BCCE Nc1ccc(CC(=O)NC[C@]23CNC[C@@H]2C3)cc1 2071683978 BZJRQOZXPWVMRP-FZMZJTMJSA-N 245.326 0.537 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 2213587209 GFNPTVJQGYJDHK-CSMHCCOUSA-N 237.263 0.613 10 10 BCCE CN1CCc2cc(N3CCO[C@H](CO)C3)ccc21 2219639613 WXGOUXKZPKLLRG-ZDUSSCGKSA-N 248.326 0.876 10 10 BCCE Cc1c[nH]nc1Cn1ccc2c(c1=O)CNCC2 2221137903 PAOHJRHKLMHXSA-UHFFFAOYSA-N 244.298 0.574 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)C23COCC(C2)C3)C1 2245070967 DKVUOYWQOKFTER-UHFFFAOYSA-N 222.248 0.934 10 10 BCCE Cc1cc(N2CC(=O)NC(=O)C2)ccc1[C@H](C)N 2257463225 IFPCLBPACOYHLZ-VIFPVBQESA-N 247.298 0.478 10 10 BCCE Nc1ccc(NC(=O)CN2CC[C@@H](O)C2)cc1 61709526 DURCWWHWVLZAFC-LLVKDONJSA-N 235.287 0.274 10 10 BCCE CCOC[C@@H](O)CNCc1cccc(O)c1O 310523918 VUJBXXLEKWUMHD-JTQLQIEISA-N 241.287 0.585 10 10 BCCE CO[C@@H]1O[C@H]2CS[C@H]1[C@H](N=[N+]=[N-])[C@H]2O 307264300 BPPFJCRKQSXZPQ-MLKOFDEISA-N 217.250 0.513 10 10 BCCE CC(C)[C@@H]1NC(Cc2ccc(N)cc2)=NNC1=O 74383544 JQIOIBWTLDRNLR-LBPRGKRZSA-N 246.314 0.869 10 10 BCCE N[C@@H](CO)c1ccc(CC(=O)O)cc1O 72198125 WRXLGLRLLGWHGJ-QMMMGPOBSA-N 211.217 0.011 10 10 BCCE OCc1cccc([C@@H]2CNCCN2)c1O 238695489 UBGGYAQAZGLWRQ-JTQLQIEISA-N 208.261 0.118 10 10 BCCE C[C@@H](c1ccccc1O)N1CCNC[C@H]1C(N)=O 251548611 PZLQFYNJDIAWIW-ONGXEEELSA-N 249.314 0.212 10 10 BCCE COc1ccc([C@@H]2CNCC(=O)N2)c(O)c1 1952063619 YPIFDCGAEXISSD-VIFPVBQESA-N 222.244 0.161 10 10 BCCE Cc1cc([C@@H](CN)C(=O)O)cc(O)c1O 258038184 KYPSAZWCHYEFDY-SSDOTTSWSA-N 211.217 0.533 10 10 BCCE C[C@@H](F)[C@@](N)(C(=O)O)c1ccccc1O 259518759 RCDJSVPMOMHKFN-LDWIPMOCSA-N 213.208 0.989 10 10 BCCE Oc1ccc(F)c(CN2CCNCC2)c1O 258347473 FEVFJWYTTMOGAG-UHFFFAOYSA-N 226.251 0.642 10 10 BCCE CCOC(=O)[C@@H](N)c1cc(O)c(C)cc1O 260062513 IRWLEWIMNQAIGN-JTQLQIEISA-N 225.244 0.969 10 10 BCCE CO[C@H](C(=O)OCC(=O)C(C)=O)C1CCC1 850177301 HVGPGCRMAILLKH-JTQLQIEISA-N 228.244 0.503 10 10 BCCE CC1(C)C[C@H]1[C@@H](NCCN=[N+]=[N-])C(N)=O 700628622 GSLLASMGDFBRCA-NKWVEPMBSA-N 211.269 0.786 10 10 BCCE CCOc1ccc([C@H](N)P(=O)(O)O)c(O)c1 390175987 IIHIDMIZGHWAJI-SECBINFHSA-N 247.187 0.926 10 10 BCCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cncnc1 394078600 WMXGPVVZWFPCII-QMMMGPOBSA-N 236.235 0.591 10 10 BCCE CC[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(=O)OC)CO1 688438339 NYSVEUJACZKCSU-SCZZXKLOSA-N 242.279 0.997 10 10 BCCE [N-]=[N+]=NCCCCN1CCCNS1(=O)=O 1912171147 GZBXMKLMLZDIAI-UHFFFAOYSA-N 233.297 0.617 10 10 BCCE CN1CC[C@H](N2CC[C@H](N=[N+]=[N-])C2)C1=O 1912196932 NVKQILKKPAITQZ-YUMQZZPRSA-N 209.253 0.602 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(CCn2cncn2)C1 1912168435 UJDRXKGPZFPRCR-VIFPVBQESA-N 221.268 0.910 10 10 BCCE C[C@@H](N)c1ccc(N2CC(OCCO)C2)cc1 1946922822 PXGMTHOPKNCUSG-SNVBAGLBSA-N 236.315 0.904 10 10 BCCE COc1ccc(N(C)C[C@@H](O)CO)cc1 122281330 RARDWFKUGGELCS-SNVBAGLBSA-N 211.261 0.485 10 10 BCCE C[C@H](CS(N)(=O)=O)Nc1ccc(N)cc1 1932510060 QRPHCOCXDYNICZ-SSDOTTSWSA-N 229.305 0.358 10 10 BCCE Nc1ccc(NC(=O)NCc2ncon2)cc1 231819446 QLPZFPWFNCZVGX-UHFFFAOYSA-N 233.231 0.974 10 10 BCCE Cc1nnc2n1CCN(CCN=[N+]=[N-])C2 1961283420 QBYXZISXHYEOBX-UHFFFAOYSA-N 207.241 0.712 10 10 BCCE COC1(CO)CN(c2ccc(CN)cc2)C1 1940013970 CPASYNGXGWMQRC-UHFFFAOYSA-N 222.288 0.343 10 10 BCCE CO[C@@H]1CN(C)C[C@H]1NCc1ccc(N)cc1 1946443399 RVXIYLZVVGDZQS-CHWSQXEVSA-N 235.331 0.687 10 10 BCCE Cc1cn(C)nc1[C@@H](NN)c1ccccc1O 1942401151 POZWTVILAGYPAF-LBPRGKRZSA-N 232.287 0.987 10 10 BCCE Nc1ccc(N2CCNC(=O)C(F)(F)C2)cc1 1942948922 QWGSWKNNXPFKOA-UHFFFAOYSA-N 241.241 0.840 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@H]1CNC(=O)C1 1984488759 BZUSTDHVUMHTTN-RKDXNWHRSA-N 223.280 0.897 10 10 BCCE Cc1cccc(O)c1CN[C@@H]1CC(=O)NC1=O 1997964253 WQXCTXKCUODVTB-SECBINFHSA-N 234.255 0.205 10 10 BCCE Nc1ccc(N2CCN3CCOC[C@H]3C2)cc1 2013245622 PYEZLNMYMYJGMA-CYBMUJFWSA-N 233.315 0.790 10 10 BCCE Nc1ccc(CN2CC(OCCCO)C2)cc1 2026043090 PESUJNHIWHLKES-UHFFFAOYSA-N 236.315 0.852 10 10 BCCE CO[C@@](C)(CO)CNCc1ccc(O)cc1O 702518435 TXFHVFHJEGMYPR-GFCCVEGCSA-N 241.287 0.585 10 10 BCCE CNC(C)(C)CNC(=O)c1cccc(O)c1O 829346436 BWVNBHPVBYANPC-UHFFFAOYSA-N 238.287 0.826 10 10 BCCE N[C@@H]1C[C@H](C(=O)NCc2ccccc2O)[C@H]2C[C@H]21 1353686618 FYISCMXPEIBJDZ-WHOHXGKFSA-N 246.310 0.992 10 10 BCCE CCn1nnnc1CNCc1ccc(O)c(O)c1 2050226795 QDQANDGXOOUDSG-UHFFFAOYSA-N 249.274 0.394 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2CCCO[C@@H]21 2056496810 CMAAHQAHEPKXFU-BPTDKIDVSA-N 247.298 0.957 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1O 2065082755 FFIOTFQMEZLPPD-HONMWMINSA-N 249.310 0.456 10 10 BCCE Cc1cc(N2CCNC(=O)C23CC3)ccc1CN 2068278492 OPGPRINEIOECFY-UHFFFAOYSA-N 245.326 0.923 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1C 2214294509 KECNKJRZZABCBJ-VXGBXAGGSA-N 237.299 0.936 10 10 BCCE CSc1ncc(CNC(=O)[C@@H](C)N)s1 2241601089 DBFBZGRJFHKKHN-RXMQYKEDSA-N 231.346 0.828 10 10 BCCE COc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(N)c1 2249540831 AVFYGSRPKBSNDR-NEPJUHHUSA-N 238.287 0.209 10 10 BCCE CN(C)CC1(O)CN(c2ccc(CN)cc2)C1 2303694406 PULBRYQYYXDVFD-UHFFFAOYSA-N 235.331 0.258 10 10 BCCE N[C@H](CCC(=O)O)c1ccc(O)cc1O 82952891 SPJGMOBFEOPZDM-MRVPVSSYSA-N 211.217 0.962 10 10 BCCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCO1 85224642 UAIZUNCWMGFNTF-APPZFPTMSA-N 227.268 0.309 10 10 BCCE COc1cc(O)c([C@H](N)[C@@H](C)O)c(OC)c1 95663234 KBCAJPCPAVYMBC-KSBSHMNSSA-N 227.260 0.790 10 10 BCCE Cc1ccc([C@@H](N)[C@H](C)O)c(O)c1[N+](=O)[O-] 95713836 XZHFFHALJZQYGO-XPUUQOCRSA-N 226.232 0.989 10 10 BCCE COc1ccc(N(C)C[C@@H]2C[C@H](O)CN2)cc1 97244313 OBEMRIZQDSZLPD-JQWIXIFHSA-N 236.315 0.854 10 10 BCCE Cc1cc(N2CCOC[C@@H]2C(N)=O)ccc1CN 129290599 VYGBUINGRYASAE-GFCCVEGCSA-N 249.314 0.144 10 10 BCCE CNc1nnc(-c2cccc(O)c2O)n1C 163264385 MEKKFBIKIYGTFP-UHFFFAOYSA-N 220.232 0.935 10 10 BCCE Nc1ccc(N2C(=O)N[C@H](CC(=O)O)C2=O)cc1 166983337 WZCWUNALFRIWEX-MRVPVSSYSA-N 249.226 0.168 10 10 BCCE C[C@H](N)c1ccc(N2CCO[C@@H](CO)C2)cc1 168117154 QGIIZAYHRPRWBX-GXFFZTMASA-N 236.315 0.904 10 10 BCCE N[C@@H](CCO)c1cc2c(cc1O)OCCO2 212734179 ONCZYSPTMMTESG-QMMMGPOBSA-N 225.244 0.546 10 10 BCCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H](CO)O1 229942917 YEVAPKBOHRXWQV-SKDRFNHKSA-N 222.288 0.855 10 10 BCCE O=C(NCc1cc[nH]c1)c1cc(O)nc(O)c1 231726532 DKGNBQSAVYOAMG-UHFFFAOYSA-N 233.227 0.751 10 10 BCCE CO[C@H]1CN(c2ccc(CN)cc2)C[C@@H]1OC 234849368 PPMSKZWXPDGFCL-STQMWFEESA-N 236.315 0.995 10 10 BCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)c(F)c1 235515245 LHDNPAQTHBVNLF-CQFDHEJISA-N 240.278 0.387 10 10 BCCE NCc1ccc(O)c([C@@H]2COCCN2)c1 238622900 DQXWYBLUMYTJAT-JTQLQIEISA-N 208.261 0.512 10 10 BCCE Oc1ccc(S)cc1[C@@H]1CNCCN1 238722018 HBUHRGRLZZAQKY-VIFPVBQESA-N 210.302 0.915 10 10 BCCE Cc1cc(O)c([C@H]2NCC(=O)N2)cc1C 309173167 LWKLOGVZFBRTLD-NSHDSACASA-N 206.245 0.727 10 10 BCCE C[C@@H]1NCC[C@@H]1NC(=O)c1cccc(O)c1O 310094740 UJOUATTYDRCAMQ-CBAPKCEASA-N 236.271 0.578 10 10 BCCE COC1CN(c2cc3c(cc2N)NC(=O)CC3)C1 385058388 FIUUDFOTHYFTHN-UHFFFAOYSA-N 247.298 0.989 10 10 BCCE CC[C@@H](Nc1c(N)cccc1C(=O)O)C(N)=O 393678372 YCYBYFAFPWBKCO-MRVPVSSYSA-N 237.259 0.643 10 10 BCCE COC(=O)[C@H]1O[C@H](CN=[N+]=[N-])[C@H]1OC 394935891 SORFAJQOAXPCAX-PBXRRBTRSA-N 201.182 0.252 10 10 BCCE C[C@](NCCN=[N+]=[N-])(C(=O)O)c1ccncn1 395767553 FCUKAUQOMRUHDH-SECBINFHSA-N 236.235 0.676 10 10 BCCE [N-]=[N+]=NCCNS(=O)(=O)c1cccnn1 712808822 IQBBGSVFICGWRK-UHFFFAOYSA-N 228.237 0.065 10 10 BCCE NCCN(CCO)Cc1cc(F)ccc1O 841058490 HTLFTDRNPGCONM-UHFFFAOYSA-N 228.267 0.284 10 10 BCCE C/C=C\[C@H](O)C(=O)NCc1cc(O)ccc1O 1153886156 YMMZSKYFIRAKPP-QUCGXOGASA-N 237.255 0.651 10 10 BCCE CCNS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912149979 NSONCHRTWWUQLU-UHFFFAOYSA-N 233.297 0.615 10 10 BCCE CCN(C)C[C@H](O)CN1CC(N=[N+]=[N-])C1 1912165487 LJQAJIBYWGPLAZ-VIFPVBQESA-N 213.285 0.294 10 10 BCCE CCn1nnnc1CN1CC[C@H](CN=[N+]=[N-])C1 1912190399 CVAKLGOPAUCHRY-MRVPVSSYSA-N 236.283 0.825 10 10 BCCE NC(=O)CSc1ncc(CNC2CC2)s1 1934273812 PWBLSZWRYGYHSO-UHFFFAOYSA-N 243.357 0.973 10 10 BCCE Cc1cccc(N)c1N[C@@H]1CN(C)C[C@@H]1O 1937206116 XHONTJRZLJQMEF-MNOVXSKESA-N 221.304 0.664 10 10 BCCE N[C@H](CF)CNC(=O)c1cccc(O)c1O 1937666968 SRYVGGJEJIHTGE-ZCFIWIBFSA-N 228.223 0.124 10 10 BCCE [N-]=[N+]=NCCCCN(CCN)CCO 1957250798 RTGCXKVRSJSODF-UHFFFAOYSA-N 201.274 0.330 10 10 BCCE N=c1[nH]nc(C2=S=Nc3ccccc32)o1 1958566397 AGRTYULNHRWSNK-UHFFFAOYSA-N 218.241 0.962 10 10 BCCE CN(C[C@@H](O)CC(=O)O)c1ccc(N)cc1 1977758114 JPVKKRFJVURGRG-JTQLQIEISA-N 224.260 0.541 10 10 BCCE Nc1ccc(N2CC[C@](N)(C(=O)O)C2)cc1 1989327927 PYLCINYKZMRRDF-LLVKDONJSA-N 221.260 0.261 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@@]23COC[C@@H]2C3(F)F)C1 1998705549 UCTIEGSIYIWXAF-POYBYMJQSA-N 244.201 0.789 10 10 BCCE CN(C)c1ccc([C@@H](N)Cn2cnnn2)cc1 1999512378 PDHXEKGGZGXNBU-NSHDSACASA-N 232.291 0.439 10 10 BCCE Nc1snnc1-c1nc(-c2cccnn2)no1 2003000612 BACMTCKJUHTLHE-UHFFFAOYSA-N 247.243 0.627 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)CCCC2CNC2)C1 2003168909 XINBNGWQXWHRPC-XYPYZODXSA-N 238.331 0.642 10 10 BCCE CN[C@@H](C)c1ccc(N2CC(O)(CO)C2)cc1 2004525567 IJAQGSYPFFPCAW-JTQLQIEISA-N 236.315 0.510 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1CCC(=O)NC(N)=O 2009443951 ZPTKYQVIMVSMEG-SSDOTTSWSA-N 240.267 0.346 10 10 BCCE Nc1ccc(CCC(=O)NCC2CNC2)cc1 2016992001 CZRNNZBZIHCJNX-UHFFFAOYSA-N 233.315 0.537 10 10 BCCE CN[C@H](C)CNC(=O)COc1ccc(N)cc1 2016994540 SVDKXUWREDZSDI-SECBINFHSA-N 237.303 0.372 10 10 BCCE O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1 2027291415 IXEZMTSUNHEUQG-LBPRGKRZSA-N 246.310 0.990 10 10 BCCE CN1CCc2cc(N3CCOC[C@@H](N)C3)ccc21 2044715432 VCPRZIZCVHRROR-LBPRGKRZSA-N 247.342 0.843 10 10 BCCE Cc1ccc(N(C)C(=O)C2=C[C@@H](O)[C@H](N)C2)cn1 2075989740 NZTGOLWUIHSMTP-VXGBXAGGSA-N 247.298 0.371 10 10 BCCE N=c1nnc(OCCC(F)(F)F)n[nH]1 2209559759 HALWRNIZKJISJM-UHFFFAOYSA-N 209.131 0.010 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 2215590985 HILXSVBZOSSKCJ-NAKRPEOUSA-N 240.307 0.750 10 10 BCCE NCc1ccc(N2C[C@@H]3CCO[C@]3(CO)C2)cc1 2223467976 BKAMMMLVGJYAIS-JSGCOSHPSA-N 248.326 0.733 10 10 BCCE CO[C@@H]1CNC[C@H](NCc2ccccc2O)C1 2304052614 PINARRQIDJMLTG-NEPJUHHUSA-N 236.315 0.859 10 10 BCCE NCc1ccc(N2CC3(COC(=O)N3)C2)cc1 2306969909 RZSVKKOSQUWFTM-UHFFFAOYSA-N 233.271 0.444 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]2[C@@H]1CO 2311378500 ZMJGHWGAVZRPCG-BBBLOLIVSA-N 249.266 0.551 10 10 BCCE CCN1CC(CNC(=O)Cc2ccc(N)cc2)C1 2319704963 MQCBSZVJYADLOH-UHFFFAOYSA-N 247.342 0.879 10 10 BCCE NCc1ccc(N2CC[C@H](O)C2)c(F)c1 61709485 AZJPFQWISDPDKB-VIFPVBQESA-N 210.252 0.855 10 10 BCCE C[C@H]1CN(CC(=O)O)c2ccc(CN)cc2O1 74337166 JBCRMXYRFCDXGU-QMMMGPOBSA-N 236.271 0.817 10 10 BCCE C[C@@]1(c2cc(F)cc(N)c2O)COCCN1 83354614 NAJBDWSAMQGMKB-NSHDSACASA-N 226.251 0.949 10 10 BCCE CCN(CCCO)c1ccc2c(c1)NC(=O)[C@H]2N 165207700 VQZWAXYRIJGRJW-LBPRGKRZSA-N 249.314 0.847 10 10 BCCE Nc1ccc(O)c(CN2CCOC[C@@H]2CO)c1 167994166 ZAEPXBKEBNEXJG-NSHDSACASA-N 238.287 0.168 10 10 BCCE CCO[C@@H]1O[C@H](CO)[C@@H](O)C[C@@H]1N=[N+]=[N-] 238269216 CVDHWPSMDHXLGS-RULNZFCNSA-N 217.225 0.170 10 10 BCCE Cc1cc([C@@H](O)CN)c(F)c(O)c1O 258071549 IBZOYRBGXDHQEL-LURJTMIESA-N 201.197 0.537 10 10 BCCE CCOc1ccc(N(C)C[C@H](N)CO)cc1 258823073 CYIFNBITLFERGO-JTQLQIEISA-N 224.304 0.841 10 10 BCCE CN1C[C@H](NCc2cccc(F)c2O)CC1=O 272473144 RZYQFJCVYZKLFH-SECBINFHSA-N 238.262 0.852 10 10 BCCE Cn1ccc([C@@](O)(CN)C(F)(F)F)cc1=O 314965274 NGNGMCURLGOPGQ-QMMMGPOBSA-N 236.193 0.094 10 10 BCCE CN1C(=O)[C@@H](N)c2ccc(N3CCC3)cc21 380820885 MEDSXFRWLFIHRW-NSHDSACASA-N 217.272 0.873 10 10 BCCE CCOc1cccc([C@@H](N)P(=O)(O)O)c1O 381557818 PGOYPPMVDVAITM-VIFPVBQESA-N 247.187 0.926 10 10 BCCE N[C@@]1(C(=O)O)CCc2c(F)c(F)cc(O)c21 390083434 DOZDREWUYAXZMT-JTQLQIEISA-N 229.182 0.855 10 10 BCCE CO[C@]1(C(=O)NCCCCN=[N+]=[N-])CCOC1 402200214 DQWRJISDRWGJRF-SNVBAGLBSA-N 242.279 0.999 10 10 BCCE Nc1cc(O)ccc1NS(=O)(=O)CCCO 689052452 ZNZIDZTYBSXOHH-UHFFFAOYSA-N 246.288 0.099 10 10 BCCE Nc1ccc(OCCn2cnnn2)cc1 712613851 DPNOPOBVKWUQPF-UHFFFAOYSA-N 205.221 0.334 10 10 BCCE CC(C)[C@](N)(C(=O)O)c1cc(O)ccc1O 713764666 ZSJQOFPHAAAMIC-LLVKDONJSA-N 225.244 0.992 10 10 BCCE C[C@@H](O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 719896397 IIAQLNOXXCRLQW-KRTXAFLBSA-N 248.282 0.489 10 10 BCCE COC(=O)[C@@H](O)C1(c2cccc(O)c2O)CC1 1535735060 UJIKPTNKNABWNS-SNVBAGLBSA-N 238.239 0.663 10 10 BCCE Nc1ccc(O[C@@H]2CN[C@H](C(=O)O)C2)cc1 1897325538 VJEFYEQKBFWFHX-UWVGGRQHSA-N 222.244 0.463 10 10 BCCE [N-]=[N+]=NC1CCN(C(=O)c2nc[nH]n2)CC1 1912154317 HFBHHKNPTODVPC-UHFFFAOYSA-N 221.224 0.720 10 10 BCCE COC[C@@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912164572 BPSDOXDCNXOFFA-YUMQZZPRSA-N 200.242 0.378 10 10 BCCE [N-]=[N+]=NC1CN(S(=O)(=O)c2cccnn2)C1 1912177521 FWCDLWDYUCEFSO-UHFFFAOYSA-N 240.248 0.160 10 10 BCCE C[C@H]1[C@@H](O)CCN1Cc1cc(N)ccc1O 1914433683 COIYQTJTXGIMJA-KWQFWETISA-N 222.288 0.930 10 10 BCCE Cc1cc(N(C)[C@@H]2CCNC2=O)ccc1CN 1916798631 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SQNYTSIZINLEAO-RKDXNWHRSA-N 219.288 0.671 10 10 BCCE Nc1cccc(C(=O)O)c1N[C@H]1CC[C@@H]1N 1989367571 NDPRHAZUXLOPOY-CBAPKCEASA-N 221.260 0.869 10 10 BCCE CN(Cc1ccccc1O)[C@H]1COC[C@H]1N 1989685797 VHSPONZSUFSHOG-MNOVXSKESA-N 222.288 0.550 10 10 BCCE Cc1cccc(CN[C@@H]2C[C@@H](O)C[C@@H]2O)c1O 2000838443 RMLRXWPMRUJQBB-UTUOFQBUSA-N 237.299 0.674 10 10 BCCE Cc1cccc(O)c1CNCc1nc(=O)o[nH]1 2005020739 VKPIPGIZAIZJGA-UHFFFAOYSA-N 235.243 0.667 10 10 BCCE O=C(O)C1(CO)CN(Cc2ccccc2O)C1 2022964979 KCFNWVXSGUIRIM-UHFFFAOYSA-N 237.255 0.271 10 10 BCCE NC1CC2(C1)CN(C(=O)c1cccc(O)c1O)C2 2029655181 QZHWKCVANIAMBH-UHFFFAOYSA-N 248.282 0.661 10 10 BCCE O=C1c2nsnc2C(=O)c2nsnc21 32254457 DSEYOYVKULKUMQ-UHFFFAOYSA-N 224.226 0.165 10 10 BCCE C[C@H](N[C@H](C)C(N)=O)c1cc(O)ccc1O 35793410 GLYPKPDOQOZZFF-NKWVEPMBSA-N 224.260 0.622 10 10 BCCE CN1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 42543569 VUYZNNQKLYFJSF-LBPRGKRZSA-N 233.315 0.632 10 10 BCCE CN(C)c1ccc([C@H](C(N)=O)N(C)C)cc1 49818560 MUCCPGCXXJKESF-LLVKDONJSA-N 221.304 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10 10 BCCE C[C@@H](C(N)=O)N(C)c1ccc([C@@H](C)N)c(O)c1 723175827 KOFWGWPXMUKTGA-SFYZADRCSA-N 237.303 0.722 10 10 BCCE COC(=O)[C@H](CF)NC(=O)c1cc(O)cs1 807842271 INYWQZCCINCJKU-LURJTMIESA-N 247.247 0.695 10 10 BCCE N[C@@]12C[C@H]1CN(Cc1ccc(O)cc1O)C2 1236015739 AYWJEEIBYOGFBI-JOYOIKCWSA-N 220.272 0.631 10 10 BCCE [N-]=[N+]=NCCCNC1(C(N)=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21 1906588983 LYVLXHNCWUIVGH-FNCVBFRFSA-N 235.291 0.786 10 10 BCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN(C)[C@H]1C 1912152197 PSWVJQCZYDGPKP-WPRPVWTQSA-N 241.295 0.522 10 10 BCCE CN1CCO[C@H]2CN(CCN=[N+]=[N-])C[C@@H]21 1912154534 CFFBOEJIIKPIKZ-IUCAKERBSA-N 211.269 0.312 10 10 BCCE C[C@@](O)(CN1CC[C@@H](N=[N+]=[N-])C1)C(=O)O 1912201114 PPMVMJIJBXYKGL-HTRCEHHLSA-N 214.225 0.207 10 10 BCCE Nc1ccc(O)c(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 1943069869 FOISXQMMNSCJMR-GDNZZTSVSA-N 234.299 0.645 10 10 BCCE COc1ccc2c(c1)[C@@](O)(C(=O)C(C)=O)CC2 1943181315 GUTSNVUMAWUDRF-CYBMUJFWSA-N 234.251 0.987 10 10 BCCE Oc1cc2c(cc1CNC[C@@H](O)CF)OCO2 1945100202 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231.299 0.243 10 10 BCCE CN(C)CCCCn1ccc2c(c1=O)CNCC2 2033370902 MLCNVULYOYDYOZ-UHFFFAOYSA-N 249.358 0.836 10 10 BCCE CCOC[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2039905193 ZMLPTOMLJMHTKK-SNVBAGLBSA-N 249.270 0.730 10 10 BCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2040597266 CRKWPRNMIAKKSO-VZLIPTOUSA-N 248.326 0.902 10 10 BCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2040609282 YQAXWBXXIHECHZ-QQUHWDOBSA-N 249.310 0.936 10 10 BCCE CCN1CCc2cc(N(C)C[C@H](O)CN)ccc21 2044710956 NDCZTNIZXKZCKV-CYBMUJFWSA-N 249.358 0.825 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CC[C@@H]3O)CCO1 2065076602 HMTVWVUJLUBJFI-OCCSQVGLSA-N 249.310 0.864 10 10 BCCE OC[C@H]1COCCN1c1ccc2c(c1)CC[C@H]2O 2065077393 LXWMBCMHDMLWBO-GXTWGEPZSA-N 249.310 0.864 10 10 BCCE COc1ccc(O)c(Cn2ncc(CN)c2N)c1 2070355557 UYFUIJBAARIULX-UHFFFAOYSA-N 248.286 0.687 10 10 BCCE CC1(C)CO[C@H]1Cn1ccc2c(c1=O)CNCC2 2221138935 UMPDXUGWXADTRN-LBPRGKRZSA-N 248.326 0.919 10 10 BCCE Nc1ccc(OCC(=O)N[C@@]23CNC[C@H]2C3)cc1 2222966013 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243.314 0.856 10 10 BCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H]1C(=O)O 2038190778 KGXAIUZFIYWQCH-PELKAZGASA-N 248.282 0.743 10 10 BCCE Nc1cccc(F)c1N[C@@H]1COC[C@@H]1O 323845246 OOGVBJCRGPASKR-BDAKNGLRSA-N 212.224 0.580 10 10 BCCE COCCOC(=O)NCc1cc(N)ccc1O 383833067 JFPCXUKEHLSRDZ-UHFFFAOYSA-N 240.259 0.847 10 10 BCCE CN1C[C@@H](N[C@@H]2CCc3cccc(O)c32)C(=O)N1 393898796 DAEBXMDOSDXKAU-NXEZZACHSA-N 247.298 0.314 10 10 BCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CC[C@@H]1OC 724212645 QBPNSUFWWPOPBN-WPRPVWTQSA-N 242.279 0.997 10 10 BCCE Nc1ccc(N2CCN([C@H]3CCNC3)CC2)cc1 2071617457 CXVKOALUCZKBKE-AWEZNQCLSA-N 246.358 0.753 10 10 BCCE CN(C[C@@H]1CCN1)C(=O)COc1ccc(N)cc1 2071700173 RKRHJXFPGNEWGE-NSHDSACASA-N 249.314 0.468 10 10 BCCE N=c1nnc(OC[C@@H]2CC23CCCC3)n[nH]1 2210652488 WKMJGNKRGZDTEA-ZETCQYMHSA-N 221.264 0.638 10 10 BCCE O=c1c2c(ccn1CCOC(F)F)CCNC2 2215471679 QFICKHOORTUIHT-UHFFFAOYSA-N 244.241 0.733 10 10 BCCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2308660082 YQAXWBXXIHECHZ-WBMYTEFPSA-N 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IRTNIAWXCGYDJU-QMMMGPOBSA-N 248.308 0.737 10 10 BCCE COc1ccc(O)c(CN[C@@H]2C[C@H]2CO)c1 309878809 UPRQIPWVCWDFGT-GXSJLCMTSA-N 223.272 0.871 10 10 BCCE NCc1ccc(N2CC[C@@](O)(CO)C2)c(F)c1 313661097 XFLIEQVVUMISKG-LBPRGKRZSA-N 240.278 0.218 10 10 BCCE C[C@H](N[C@@H]1CN(C)NC1=O)c1ccccc1O 393919355 CFRKMEFAAOLXJN-WCBMZHEXSA-N 235.287 0.388 10 10 BCCE Cc1cccc(O)c1Cn1ncc(CN)c1N 2070354551 YEUWGEOYGPDMPM-UHFFFAOYSA-N 232.287 0.986 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@H]2NCC[C@@H]2C1 2068556362 MIKSZQZTSWNWIV-PSASIEDQSA-N 248.282 0.532 10 10 BCCE OC[C@H]1CC[C@H]1NCc1ccc(O)c(O)c1 2210354747 BQDYZUVJWVXAOA-NXEZZACHSA-N 223.272 0.958 10 10 BCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2214252304 JRVSCMUDWZWANF-YJRXYDGGSA-N 235.283 0.626 10 10 BCCE Cc1nnc(Cn2ccc3c(c2=O)CNCC3)o1 2221214676 OJBHJLKZKSROCT-UHFFFAOYSA-N 246.270 0.234 10 10 BCCE Cc1cc(N2CC([C@@H](O)CO)C2)ccc1CO 2300045230 PLVDBQUUVCLUHT-ZDUSSCGKSA-N 237.299 0.277 10 10 BCCE Nc1ccc(OC[C@H]2CNC(=S)O2)cc1 196156927 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N[C@H](c1ccc(O)cc1O)[C@H](O)C1CC1 308857868 IYALBFGMDTXUGK-GHMZBOCLSA-N 209.245 0.869 10 10 BCCE CC[C@@](C)(OC)[C@@H](NCCCN=[N+]=[N-])C(N)=O 319467496 MNBNEQUVVGFWFU-WCBMZHEXSA-N 243.311 0.945 10 10 BCCE OC[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1 380025800 YKKUQLMBTOGBNV-BDAKNGLRSA-N 209.245 0.568 10 10 BCCE NC(=O)CCSc1ncc(N)s1 399249136 LVSVADWEJGXMAM-UHFFFAOYSA-N 203.292 0.693 10 10 BCCE O=C(/C=C\c1cnccn1)N1CCn2nccc21 492826065 HYSILLQHEVHEJD-UPHRSURJSA-N 241.254 0.733 10 10 BCCE O=C1NC(=S)NC(=O)C1=COc1ccccc1 575631033 KJSXVWGLOQMBHL-UHFFFAOYSA-N 248.263 0.480 10 10 BCCE [N-]=[N+]=NCCN1CCOC[C@@H]1CCO 694907218 AXCHZFJGNYFFCG-QMMMGPOBSA-N 200.242 0.380 10 10 BCCE CC(=O)N1CCC[C@H](C(=O)NCCN=[N+]=[N-])C1 701318171 HVERWRYDBOCLQP-VIFPVBQESA-N 239.279 0.671 10 10 BCCE CCNS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 703035450 AZYMXTHTEDZSQQ-ZETCQYMHSA-N 233.297 0.615 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1CO2 718319619 CGGFRGFVYPOSQO-IUCAKERBSA-N 235.239 0.711 10 10 BCCE CN(C)C(=O)CSc1ncc(CO)s1 1934280176 GZVNJDNDXVTQAO-UHFFFAOYSA-N 232.330 0.816 10 10 BCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)ccc21 1944103812 ZFWXKACYELBOEB-LDYMZIIASA-N 233.271 0.210 10 10 BCCE CO[C@H](C(=O)O)c1cc(O)c(O)c(O)c1 1951523160 CQVFSZKRRFGKQI-QMMMGPOBSA-N 214.173 0.576 10 10 BCCE COc1cc(C[C@@H](N)[C@@H](C)O)cc(O)c1O 1952210262 FKYOXRWWNJVHMC-HTRCEHHLSA-N 227.260 0.357 10 10 BCCE CN(C)c1ccc([C@]2(O)COC[C@@H]2N)cc1 1977937849 DWXKSPCWZDDEAS-NWDGAFQWSA-N 222.288 0.298 10 10 BCCE NC[C@@H]1CCN1C(=O)Nc1ccc(N)cc1 1989300856 PVPPJDGVHLCNFX-JTQLQIEISA-N 220.276 0.834 10 10 BCCE N=c1[nH]c(Oc2ccc(N)cc2)ncc1N 1992491331 YDRQYSRQEXZSFO-UHFFFAOYSA-N 217.232 0.846 10 10 BCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H]1CCN1 1999834923 ZULPBMPWWGNGKU-PSASIEDQSA-N 241.295 0.570 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2CCO[C@H]21 2007653332 NXAZKNQMUUSYRT-MQOMDTIOSA-N 233.271 0.567 10 10 BCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](O)CN 2007826342 FBCCLIOJIPHFOF-LDYMZIIASA-N 238.287 0.231 10 10 BCCE COC[C@@H]1CC[C@]1(NCCN=[N+]=[N-])C(=O)OC 2026291761 YMWPUNQUKZDLRW-WCBMZHEXSA-N 242.279 0.855 10 10 BCCE Nc1ccc(CCN2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2056811435 HILPHHKXEYUNJZ-NWDGAFQWSA-N 247.298 0.604 10 10 BCCE N[C@H]1CCN(c2ccc3c(c2)CCO3)C[C@H]1CO 2058546312 XQKFGCXLCVDYJD-AAEUAGOBSA-N 248.326 0.767 10 10 BCCE NCc1cnn(Cc2c(O)cccc2F)c1O 2070532271 SPQFZFCNZVAVIA-UHFFFAOYSA-N 237.234 0.940 10 10 BCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1F 2081449169 RAZFLJWYOGQOTQ-IAZYJMLFSA-N 249.289 0.452 10 10 BCCE Nc1ccc(N2C[C@H]3COC[C@@]3(CO)C2)cc1 2213797997 KSJKLEGFHJIQLF-GWCFXTLKSA-N 234.299 0.714 10 10 BCCE CC[C@@H](CO)NCc1ccc(O)c(O)c1 20194605 WJZIDVYJBQCWDX-VIFPVBQESA-N 211.261 0.958 10 10 BCCE CC(C)[C@H](C)NC=C1C(=O)NC(=S)NC1=O 60863876 IYBHEELRASONTP-LURJTMIESA-N 241.316 0.035 10 10 BCCE COc1ccc(CNC(C)(CO)CO)cc1C 125641369 RPIOAZMJRHFTEH-UHFFFAOYSA-N 239.315 0.837 10 10 BCCE NCC[C@H]1OC(=O)c2c1ccc(O)c2O 39096813 YXVORKXTZQMDTA-SSDOTTSWSA-N 209.201 0.658 10 10 BCCE CCc1cc([C@H](N)C(=O)O)c(O)cc1O 215546215 YBGSKTZSRIUGHO-VIFPVBQESA-N 211.217 0.745 10 10 BCCE COC(=O)[C@@H](N)Cc1cccc(O)c1O 44326802 LMKICGYTOPDJOS-ZETCQYMHSA-N 211.217 0.141 10 10 BCCE Nc1cc(F)cc([C@H](N)CCCO)c1O 95717154 KQFDGPVTNRGKKM-MRVPVSSYSA-N 214.240 0.886 10 10 BCCE CC[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 233896628 DEGAGYAENBIVQK-MRVPVSSYSA-N 225.244 0.599 10 10 BCCE COC(=O)[C@H](N)c1cc2c(cc1O)OCC2 261209690 HCSSFNOGKTTWQS-SNVBAGLBSA-N 223.228 0.500 10 10 BCCE CN(C[C@H](O)CN)c1ccc2c(c1)OCO2 77336899 QMFIYVAWUNUDCE-SECBINFHSA-N 224.260 0.171 10 10 BCCE CNC(=O)CC[S@@](=O)Cc1ccc(N)cc1 399362785 PGPNQEVVTBORFD-MRXNPFEDSA-N 240.328 0.654 10 10 BCCE C[C@H](N[C@H](C)[C@H](O)CO)c1cc(O)ccc1O 699005435 LKTAHJNYIDXZGO-JOAULVNJSA-N 241.287 0.490 10 10 BCCE CSC[C@@](C)(NCCCN=[N+]=[N-])C(N)=O 1912158720 ZCBMULNNQHHMBA-MRVPVSSYSA-N 231.325 0.883 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1912149119 BLVJAVIDPVGJBH-JGVFFNPUSA-N 237.263 0.566 10 10 BCCE CN1CCO[C@H]2CN(CCCN=[N+]=[N-])C[C@@H]21 1912160847 BDJUAYSZPCWABM-UWVGGRQHSA-N 225.296 0.702 10 10 BCCE C[C@H](NCC(CO)CO)c1ccccc1O 1984642359 HQWOALGBRVYMEV-VIFPVBQESA-N 225.288 0.644 10 10 BCCE Cn1ncc2c(N)nc(CN=[N+]=[N-])nc21 1960216319 FTICSLOAANKSCY-UHFFFAOYSA-N 204.197 0.756 10 10 BCCE NN[C@@H](Cn1ccnn1)c1ccccc1O 1937141030 MYOXJACRLDSFMC-VIFPVBQESA-N 219.248 0.188 10 10 BCCE [N]=N[C@H]1OC=C([N+](=O)[O-])C=C1Br 1857790957 CMYUNOUNOSXVEN-YFKPBYRVSA-N 233.001 0.992 10 10 BCCE CN[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 1943630344 NZXJMIAABNOQBI-MRVPVSSYSA-N 238.287 0.364 10 10 BCCE Cc1cccc(O)c1[C@@H](NC1CC1)C(N)=O 1976874191 TUVOMGIZZPVWEE-LLVKDONJSA-N 220.272 0.979 10 10 BCCE CO[C@@H]1C[C@@H](O)CN(c2ccc(N)cc2)C1 1978934603 YDJXBUZBPWKBHI-VXGBXAGGSA-N 222.288 0.855 10 10 BCCE Nc1ccc(O)c(CNc2nccnn2)c1 1985767954 TUQQMSKGDYNAMU-UHFFFAOYSA-N 217.232 0.772 10 10 BCCE Oc1cccc(CNO[C@H]2CCOC2)c1O 1989892344 XWZDHNFQVQXADD-VIFPVBQESA-N 225.244 0.908 10 10 BCCE CN1CCN(CCCN=[N+]=[N-])[C@H](CCO)C1 1993934258 RBRYZFRRIWYVJH-SNVBAGLBSA-N 227.312 0.685 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CO[C@H]3COC[C@H]23)C1 1996389404 HEUIZQIQQHZXEH-HLTSFMKQSA-N 238.247 0.169 10 10 BCCE CC[C@@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 1999383144 VTNBIOYOKWHGAY-MRVPVSSYSA-N 240.259 0.336 10 10 BCCE CO[C@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 2008127658 KSFAZHFGPNYODE-CABZTGNLSA-N 239.271 0.601 10 10 BCCE COc1cc(N2CCN(C)CC2)ccc1CO 2024762820 LLWVZINBLZLBQF-UHFFFAOYSA-N 236.315 0.939 10 10 BCCE CN1CCC(Nc2ccc(N)cc2)(C(N)=O)CC1 2036967854 SJPHFVBKXFASDF-UHFFFAOYSA-N 248.330 0.630 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccns1 404439995 GOVZVDVGCZNBLQ-LURJTMIESA-N 226.265 0.569 10 10 BCCE Cn1cc(C(=O)Cc2ccc(N)cc2)nn1 309793851 UWHAZEIQRBBUNF-UHFFFAOYSA-N 216.244 0.823 10 10 BCCE NOCCS(=O)(=O)Nc1ccc(O)cc1 722213564 YXKPJJKFVWMFMA-UHFFFAOYSA-N 232.261 0.024 10 10 BCCE C[C@H]1CNC[C@@H]1NC(=O)CCc1ccc(N)cc1 2071732809 WOVZLCRNOCOHTJ-GWCFXTLKSA-N 247.342 0.926 10 10 BCCE C[C@H]1CNC[C@H]1NC(=O)CCc1ccc(N)cc1 2071732810 WOVZLCRNOCOHTJ-GXFFZTMASA-N 247.342 0.926 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213583535 TTZZLIUFYAOWRG-CNUIFLNQSA-N 239.279 0.859 10 10 BCCE COc1ccc(N2C[C@H](O)[C@H](N(C)C)C2)cc1 2214244237 NBKXQYSLPIKFQQ-OLZOCXBDSA-N 236.315 0.806 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C1 2248226149 HYRVLILPVGAVKI-BIIVOSGPSA-N 237.263 0.267 10 10 BCCE N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1cccc(O)c1O)C2 2296746456 LHHHACGGCILBNL-BCMRRPTOSA-N 248.282 0.660 10 10 BCCE CNC(=O)CN(C)Cc1ccc(N)cc1 37115723 ABDMMHQWDQYLIB-UHFFFAOYSA-N 207.277 0.447 10 10 BCCE CCOCCS(=O)(=O)NCCCN=[N+]=[N-] 63154562 PBFGBFJEWUINCL-UHFFFAOYSA-N 236.297 0.643 10 10 BCCE Nc1ccc(-n2cc(C(=O)O)nn2)cc1 72155150 ZVOALTCGICDUJQ-UHFFFAOYSA-N 204.189 0.548 10 10 BCCE CC(C)CNC(=O)CN1C(=O)CSC1=S 82299880 FXJGUPHQRLNIHB-UHFFFAOYSA-N 246.357 0.619 10 10 BCCE O=C1NCCN[C@@H]1c1cccc(F)c1O 82950507 QRDUGADATGMBJY-MRVPVSSYSA-N 210.208 0.292 10 10 BCCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)CO)c1 90282806 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0.620 10 10 BCCE CCNCCN(C)C(=O)c1cccc(O)c1O 714679322 YDMGHNYEYNXJTA-UHFFFAOYSA-N 238.287 0.779 10 10 BCCE COC1(C(=O)OCC(=O)C(C)=O)CCCC1 808541315 RRJZQCCXLQDPNF-UHFFFAOYSA-N 228.244 0.647 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 869662201 OZXFFIPVEKZPLI-ZKKRXERASA-N 236.267 0.980 10 10 BCCE O=C(NC1CC1)c1cc(O)c(O)c(O)c1 1865876051 OPFKDNDJMZSKPK-UHFFFAOYSA-N 209.201 0.696 10 10 BCCE C[C@H](C(=O)N1CCCC1)N1CC(N=[N+]=[N-])C1 1912154627 MPLHNNONXDMNGN-MRVPVSSYSA-N 223.280 0.992 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@]2(CO)C[C@]2(CO)C1 1912182972 JKPCXHQYBAILQR-PHIMTYICSA-N 240.307 0.754 10 10 BCCE CCCNS(=O)(=O)N1CC(N=[N+]=[N-])C1 1912184201 XIGJVUCNXACZSD-UHFFFAOYSA-N 219.270 0.225 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2COC[C@H]2O)C1 1912184467 YQLQOFMHYJJILY-HRDYMLBCSA-N 212.253 0.521 10 10 BCCE [N-]=[N+]=NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1912193727 GMCLNMSUASFYDD-SECBINFHSA-N 244.320 0.948 10 10 BCCE CC(=O)C(=O)[C@]1(O)[C@H](CN)CCC12CCC2 1924822724 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236.271 0.505 10 10 BCCE CN(C)C[C@@H](O)CNCc1ccc(N)cc1 214544280 HKBNZICPCGYEKU-LBPRGKRZSA-N 223.320 0.281 10 10 BCCE Nc1ccc(CN(CCO)CCO)cc1 32133013 CIJHJNHCQLEYIL-UHFFFAOYSA-N 210.277 0.055 10 10 BCCE NC(=O)[C@H]1CCCN1c1ccc(N)cc1 20294120 YXZSDUZJKIZRIX-SNVBAGLBSA-N 205.261 0.723 10 10 BCCE C[C@@](O)(CC(=O)O)c1cc(O)nc(O)c1 1952135557 NDJKSUORSZCRRW-SECBINFHSA-N 213.189 0.175 10 10 BCCE Cc1nnc([C@H](N)c2ccc(O)c(O)c2)o1 83350971 UCFVQLYCKFQNLM-SECBINFHSA-N 221.216 0.837 10 10 BCCE NCc1ccc(N2CC(C(N)=O)C2)c(Cl)c1 381893000 SWGXDYSTTAVNBS-UHFFFAOYSA-N 239.706 0.720 10 10 BCCE Nc1cc(C2(N)CC2)c(O)cc1C(=O)O 238590291 TYPAAWYAHZOFRN-UHFFFAOYSA-N 208.217 0.620 10 10 BCCE CS(=O)(=O)C[C@H](N)c1cccc(O)c1O 95760372 ABOJWAOMLJRHSL-ZETCQYMHSA-N 231.273 0.142 10 10 BCCE C[C@H](NOCC(N)=O)c1c(O)cccc1O 235514192 HKBVDIXBXHZOCQ-LURJTMIESA-N 226.232 0.165 10 10 BCCE Nc1ccc(O)c(CN2CCNCC2)c1 141444209 WAIZCIMILZIFNO-UHFFFAOYSA-N 207.277 0.380 10 10 BCCE N[C@@H](CCO)c1cc(F)cc(C(=O)O)c1O 95713584 VPRJHFHORRBCKT-QMMMGPOBSA-N 229.207 0.612 10 10 BCCE Oc1ccc(CNCc2ccncn2)c(O)c1O 236589474 XSSNXBLRMVEJJR-UHFFFAOYSA-N 247.254 0.883 10 10 BCCE CCOC(=O)[C@](N)(CO)c1ccccc1O 261252086 AJPPCZURHIZVTP-NSHDSACASA-N 225.244 0.102 10 10 BCCE COC(=O)[C@H](N)c1cc(C)c(OC)cc1O 260343913 YQKKYYGJRUTBQH-SNVBAGLBSA-N 225.244 0.882 10 10 BCCE COC(=O)[C@H](N)[C@H](OC)c1ccc(O)c(O)c1 1952306845 RLPCYUCTCMXVON-NXEZZACHSA-N 241.243 0.286 10 10 BCCE COc1ccc(CNCc2nnn[nH]2)c(O)c1 44929171 PJJXYKSOAURQQJ-UHFFFAOYSA-N 235.247 0.204 10 10 BCCE Oc1cccc(CNC[C@H](O)C2CC2)c1O 70882939 QJIFDLOZVDRHPQ-NSHDSACASA-N 223.272 0.958 10 10 BCCE COc1cccc(CN[C@H]2C[C@@H]2CO)c1O 390526647 GZIGIWOPVVNJAO-ZJUUUORDSA-N 223.272 0.871 10 10 BCCE CN(C)c1ccc(N)c(OCCn2cnnn2)c1 712553013 SWDNMQKBWVATQJ-UHFFFAOYSA-N 248.290 0.400 10 10 BCCE CN(Cc1ccc(N)cc1)[C@H]1CCNC1=O 691598873 JDSMOYAEFIBHOF-NSHDSACASA-N 219.288 0.589 10 10 BCCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCOC1 85225007 JFDZSYWSYIRJPB-QMMMGPOBSA-N 214.225 0.520 10 10 BCCE Cc1cc(CO)ccc1N1C[C@H](O)C[C@@H]1CO 698115582 QWDNIEJSOXZUDQ-VXGBXAGGSA-N 237.299 0.419 10 10 BCCE CCN[C@@H](C(N)=O)c1ccc(O)c(O)c1 37945533 LBDIRUJITVGJBT-SECBINFHSA-N 210.233 0.234 10 10 BCCE N[C@]1(c2ccccc2O)CCCS(=O)(=O)C1 1920168877 DNIVBWBXHQFWBV-LLVKDONJSA-N 241.312 0.755 10 10 BCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1CCCN1 1912158415 XHTAMUSSTOUSQE-PSASIEDQSA-N 240.311 0.272 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2cc(O)nc(O)n2)C1 1912144003 NAZSLGZQWVRXSV-UHFFFAOYSA-N 236.191 0.023 10 10 BCCE COCCOCCOCC(=O)NCCN=[N+]=[N-] 2214868096 QRVRYLQETKPIFR-UHFFFAOYSA-N 246.267 0.093 10 10 BCCE NCCc1ncn2c1CN(c1cccnc1)CC2 258689606 WZRPRYJGNXLKOP-UHFFFAOYSA-N 243.314 0.800 10 10 BCCE NC[C@H](N)CNCc1ccc2c(c1)CCCO2 258979343 LYQQVUKWAXPNEO-LBPRGKRZSA-N 235.331 0.387 10 10 BCCE Cn1nccc1[C@@H](NN)c1ccccc1O 1936973134 FHDFEQHMJSRBPZ-NSHDSACASA-N 218.260 0.678 10 10 BCCE NN[C@H](c1ccccc1O)C1[C@@H]2COC[C@@H]12 1936977648 VAZXLVJRMDKHDH-KBVBSXBZSA-N 220.272 0.789 10 10 BCCE OCc1cc(F)c(N2C[C@@H](O)[C@H](F)C2)c(F)c1 1944251395 NEEDUZGBPRCFKA-NXEZZACHSA-N 247.216 0.976 10 10 BCCE Cn1ncnc1[C@H](O)[C@@H](N)c1ccccc1O 1947746243 GUVGDGIWFUBCRW-VHSXEESVSA-N 234.259 0.254 10 10 BCCE Nc1cccc(F)c1N[C@@H]1C[C@@H](O)C[C@H]1O 1978846646 DEQQSTODCCVRFM-BDODKLCJSA-N 226.251 0.704 10 10 BCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 1997934698 KSDDCWNHPMOSOL-LPTSXCQYSA-N 235.283 0.109 10 10 BCCE C[C@H]1[C@@H](O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2014909910 HHWJFSXOFAAPEL-CPCISQLKSA-N 238.243 0.657 10 10 BCCE COCCNC(=O)CN1CCC[C@@H]1CN=[N+]=[N-] 2009445213 FBYUNUWCCXGNJL-SECBINFHSA-N 241.295 0.524 10 10 BCCE C[C@@H]1[C@@H](O)CN1CC(=O)c1ccc(O)c(O)c1 2011384696 PIVTUPWHLSYTLA-HQJQHLMTSA-N 237.255 0.346 10 10 BCCE CNCC[C@@H](C)Nc1c(N)cccc1C(N)=O 2016987955 RGIHQDSXGZHSKC-MRVPVSSYSA-N 236.319 0.778 10 10 BCCE COc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(N)c1 2056808948 RDLZSXNPTWCADQ-GXSJLCMTSA-N 249.270 0.574 10 10 BCCE Nc1ccc(CC(=O)N2CCN[C@H]3CC[C@@H]32)cc1 2071670874 GNYDZGHNIUKCST-STQMWFEESA-N 245.326 0.774 10 10 BCCE Cc1nc([C@H](O)[C@@H](N)c2ccccc2O)n(C)n1 2083160794 DFBKDOHNMVKEBC-WDEREUQCSA-N 248.286 0.563 10 10 BCCE Nc1ccc(O)c(CN2C[C@@H](O)C[C@H](F)C2)c1 2213899021 CHJIJFSTXPVBHD-ONGXEEELSA-N 240.278 0.879 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1ncc[nH]c1=O 2218744770 NFASQVSNJBJQDR-BQBZGAKWSA-N 248.246 0.731 10 10 BCCE CN(Cc1cc(F)ccc1O)CC1(O)CNC1 2250120066 XVLPYNVNZKDBKN-UHFFFAOYSA-N 240.278 0.297 10 10 BCCE [N-]=[N+]=NCCCN1C(=O)C(=O)N[C@@H]2CCC[C@H]21 2303364060 PFIQPTVMCGYCKH-HTQZYQBOSA-N 237.263 0.566 10 10 BCCE C[C@@H]1C(=O)NCCN1CCOc1ccc(N)cc1 104132822 ZZTRTHXAXKTHLH-SNVBAGLBSA-N 249.314 0.468 10 10 BCCE N[C@H]1[C@H]2C[C@H]1N(Cc1ccccc1O)C2 400091704 KWJAYQBEKSIKBG-UMNHJUIQSA-N 204.273 0.924 10 10 BCCE COc1ccc(O)c([C@H](N)CO)c1F 215048518 MIICGNOSXKOHCD-RXMQYKEDSA-N 201.197 0.532 10 10 BCCE C[C@H](CN(C)c1ccc(CN)cc1)C(N)=O 37227044 XEGATUABMLGVLL-SECBINFHSA-N 221.304 0.703 10 10 BCCE Nc1ccc(CCC(=O)OCCO)cc1 41048151 NDTIFTDCFYDCKQ-UHFFFAOYSA-N 209.245 0.737 10 10 BCCE C[C@@H](CC(N)=O)NC(=O)CCc1ccc(N)cc1 136065384 MZMYKVRBOTYGOV-VIFPVBQESA-N 249.314 0.582 10 10 BCCE CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])C[C@H](O)O[C@@H]1C 196785349 PFRKCSWGXRPANJ-JBBNEOJLSA-N 215.209 0.724 10 10 BCCE [N-]=[N+]=NCCN1CCC(OCCO)CC1 132377303 URMKSJUDTSOLGL-UHFFFAOYSA-N 214.269 0.770 10 10 BCCE CN1CCC(NCCCN=[N+]=[N-])(C(N)=O)CC1 90260267 POYUDVCVIYNMJS-UHFFFAOYSA-N 240.311 0.226 10 10 BCCE Nc1ccc(CC2(O)CCNCC2)cc1 144555703 RHZWNKOMYXLIIJ-UHFFFAOYSA-N 206.289 0.926 10 10 BCCE CN[C@H](C)[C@@H]1NCCc2cc(O)c(O)cc21 396458188 CPYHPEBAGXKWBS-KRTXAFLBSA-N 222.288 0.893 10 10 BCCE CO[C@H](CO)CN[C@H](C)c1cc(O)ccc1O 2252803668 WKIODNGQIOUOHA-SCZZXKLOSA-N 241.287 0.756 10 10 BCCE O=C(NCc1ccccc1O)[C@H]1[C@@H]2C[C@H]1CN2 712145306 JPKGXDSBCUIQRB-JBLDHEPKSA-N 232.283 0.616 10 10 BCCE CC1=NCS/C1=C1/C=S=N[C@H]1C(=O)O 725685500 HQBSLDYMRWGIRA-XOQWBGJWSA-N 228.298 0.941 10 10 BCCE N[C@H](CCC(=O)O)c1c(O)ccc2c1OCO2 213060344 WJUWDGCLEDHBKA-ZCFIWIBFSA-N 239.227 0.986 10 10 BCCE COC1([C@@H](NCCN=[N+]=[N-])C(=O)O)CC1 1912158396 XBXBWOMHDMZPQT-LURJTMIESA-N 214.225 0.519 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)N1CC[C@@H](O)C1 1912185327 OJMFNSCVIMGHSD-MRVPVSSYSA-N 227.268 0.805 10 10 BCCE CC(=O)C(=O)[C@](C)(O)c1c(C)cnn1C 1919334120 NUFAFCRLMSWIPV-SNVBAGLBSA-N 210.233 0.094 10 10 BCCE CC(=O)C(=O)[C@](C)(O)[C@@H]1C[C@H]2CCO[C@@H]21 1926230157 TVOTUVCNIKGPOH-SDNRWEOFSA-N 212.245 0.321 10 10 BCCE [N-]=[N+]=NC1CN(CCCN2CCCC2=O)C1 1980685235 PGPXPXYBSGMABC-UHFFFAOYSA-N 223.280 0.993 10 10 BCCE CN(C)C[C@@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 1984485449 LOFGXMZZCNLOAN-NXEZZACHSA-N 227.312 0.684 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CC[C@]2(CCCOC2)C1 1986726642 DOPJWAFDEKFLMN-VXGBXAGGSA-N 226.272 0.856 10 10 BCCE CN1C(=O)C[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1=O 2009446659 YPXQZSOEIMZUFU-SFYZADRCSA-N 237.263 0.518 10 10 BCCE O=C(O)[C@H]1C=CCN1Cc1ccc(O)cc1O 2022978006 GXPVIHNUGRSKJO-SNVBAGLBSA-N 235.239 0.923 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)Cn2cncn2)CC1 2038002453 LUEBAPYUJHDUQL-SECBINFHSA-N 249.278 0.970 10 10 BCCE CCN(Cc1ccc(N)cc1)[C@@H]1CN(C)C[C@@H]1O 2039264887 HGNHCDAWUFBIHL-KGLIPLIRSA-N 249.358 0.766 10 10 BCCE Cn1ccc(-c2nc(N)ncc2[N+](=O)[O-])cc1=O 314769450 IENXPKUSBBBZTN-UHFFFAOYSA-N 247.214 0.333 10 10 BCCE CN1C[C@H](C(=O)NCCCCN=[N+]=[N-])CC1=O 701263719 IZYPXUMYXFHDMT-MRVPVSSYSA-N 239.279 0.671 10 10 BCCE N#Cc1ccc(=NCc2cc(N)ccc2O)[nH]n1 396899458 BZFZVHYKBMTOMJ-UHFFFAOYSA-N 241.254 0.670 10 10 BCCE COc1ccc(CN2C[C@H]3C[C@@]3(N)C2)c(O)c1 1236019438 XRVLITKUKAUKER-ZWNOBZJWSA-N 234.299 0.934 10 10 BCCE COC(=O)[C@@H](O)CN(C)Cc1ccccc1O 1252428172 NPMUWPXLKJGQPV-NSHDSACASA-N 239.271 0.358 10 10 BCCE OC[C@H]1C[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2065081135 SALIIWHURGUYIT-MBNYWOFBSA-N 249.310 0.598 10 10 BCCE NCc1ccc2c(c1)CCN2C[C@H]1CCC(=O)N1 2069539960 QNKCZUJNAZXPCO-GFCCVEGCSA-N 245.326 0.786 10 10 BCCE O=C1Nc2cc(N3[C@H]4COC[C@H]3C4)ccc2[C@@H]1O 2077884960 NIIAGFPBNGCXSX-LNLATYFQSA-N 246.266 0.650 10 10 BCCE CN=c1cc(-c2ccn(C)c(=O)c2)cn[nH]1 2210593553 LBQZXFBKYQBPMT-UHFFFAOYSA-N 216.244 0.306 10 10 BCCE C[C@H](CO)C(=O)N(C)Cc1ccc(N)cc1 2242682476 KFDZJSKSKOOMSR-SECBINFHSA-N 222.288 0.856 10 10 BCCE COc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1 2244313568 OHKMCKPRQRWKLP-VXGBXAGGSA-N 223.272 0.627 10 10 BCCE CC(CO)(CO)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2246464179 ZRXSZHKTLDOLJE-SFYZADRCSA-N 242.279 0.325 10 10 BCCE OCc1ccc(N2C[C@@H]3OCC[C@@]3(CO)C2)cc1 2264237676 JVYLWMHTAQASNE-KBPBESRZSA-N 249.310 0.767 10 10 BCCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2311827551 OYIHPNMVXATUGF-XTWCZFFVSA-N 247.298 0.124 10 10 BCCE CNC(=O)CNCc1ccc2c(c1)CCN2C 50286447 OIFPKOYQLLBCSF-UHFFFAOYSA-N 233.315 0.515 10 10 BCCE O=C1CC[C@@H]([C@@H]2NCCc3c2ccc(O)c3O)N1 75794181 FWQYRTABCFYMCF-JOYOIKCWSA-N 248.282 0.563 10 10 BCCE CNCC(=O)N[C@H]1CN(C)c2ccc(OC)cc21 83907928 WEXAVPBHQGPNOK-NSHDSACASA-N 249.314 0.522 10 10 BCCE N[C@H](c1ccc(O)cc1O)C(F)(F)CO 95672169 DEHXBCYYEBFHEY-MRVPVSSYSA-N 219.187 0.725 10 10 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229.251 0.847 10 10 BCCE O=C(O)[C@@H](O)c1c(Cl)ccc(O)c1O 258047999 BYKQKYPDIHTXJZ-ZETCQYMHSA-N 218.592 0.869 10 10 BCCE COc1cc(C(=O)O)cc([C@@H](N)CO)c1O 258373102 HRQVASNYAYRVMJ-ZETCQYMHSA-N 227.216 0.091 10 10 BCCE N[C@H](CO)c1cc2c(c(F)c1O)OCO2 258145209 WJHCZMIHUTZGOZ-RXMQYKEDSA-N 215.180 0.252 10 10 BCCE COC(=O)[C@@H](O)c1c(Cl)ccc(O)c1O 258119785 HASNDBAASBDKQS-QMMMGPOBSA-N 232.619 0.958 10 10 BCCE CC(=O)C(=O)COC(=O)c1ccc(NC=O)cc1 808529866 WWGNYBPDXIYQRU-UHFFFAOYSA-N 249.222 0.570 10 10 BCCE Cc1n[nH]cc1[C@H](NCCN=[N+]=[N-])C(N)=O 724792305 RUOCJCQGVSQDKO-ZETCQYMHSA-N 223.240 0.144 10 10 BCCE CCOC(=O)C[C@@](C)(N)c1cc(O)nc(O)c1 1952462571 HCMKJQLZHUEABK-LLVKDONJSA-N 240.259 0.620 10 10 BCCE COC(=O)[C@H]1C[C@]1(N)c1c(O)cccc1F 1952772072 HHRNXJGSGSYRDI-KSBSHMNSSA-N 225.219 0.878 10 10 BCCE Oc1cc2c(cc1CN1C[C@H]3C[C@]3(O)C1)OCO2 895645218 AGHPTORNQLHDNP-RNCFNFMXSA-N 249.266 0.688 10 10 BCCE COc1ccc(N2CC(=O)NC(=O)C2)c(C)c1 104279870 NELDAXDRFAXHBJ-UHFFFAOYSA-N 234.255 0.466 10 10 BCCE O=S(=O)(O)CCCNCc1ccccc1O 83374110 YLKIDRZQFDOHJT-UHFFFAOYSA-N 245.300 0.760 10 10 BCCE CCNS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 703035449 AZYMXTHTEDZSQQ-SSDOTTSWSA-N 233.297 0.615 10 10 BCCE CN(CCN=[N+]=[N-])C[C@@H]1CCCS1(=O)=O 694453413 DQMNKPBSEFEBAI-QMMMGPOBSA-N 232.309 0.806 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2ccn3ncnc3c2)C1 1912165658 NNACFHLXKUQBEU-UHFFFAOYSA-N 243.230 0.864 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2ccncc2O)C1 1912171213 HTPJOKYPYJVUDR-UHFFFAOYSA-N 219.204 0.922 10 10 BCCE C[C@H](C(=O)N1CCC1)N1CC[C@@H](N=[N+]=[N-])C1 1912199981 ABYZIDICFXEVAL-RKDXNWHRSA-N 223.280 0.992 10 10 BCCE Cc1cc(N2CC(CO)(CO)C2)ccc1CN 1914968646 RHQUBGGHJHJIJR-UHFFFAOYSA-N 236.315 0.245 10 10 BCCE NN[C@H](c1ncc[nH]1)c1ccccc1O 1928480437 IVSLGZCALOFUOE-VIFPVBQESA-N 204.233 0.668 10 10 BCCE CC(=O)C(=O)[C@]1(O)CCN2CCC[C@H]2C1 1929197963 ASTRNDAEKATILB-ONGXEEELSA-N 211.261 0.134 10 10 BCCE CCNCc1cnc(SCC(N)=O)s1 1934276383 KJIOPUISKYVVQG-UHFFFAOYSA-N 231.346 0.830 10 10 BCCE 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10 10 BCCE N[C@H](c1cccc(O)c1O)[C@H](O)C1CC1 393730223 NMHCJXYYBSPDON-NXEZZACHSA-N 209.245 0.869 10 10 BCCE C[C@@H](N)[C@@H](N)c1cc([N+](=O)[O-])ccc1O 396897716 FBWZUZXOYLLHRP-MLUIRONXSA-N 211.221 0.647 10 10 BCCE CO[C@@H](CCN)C(=O)NCc1ccccc1O 401189510 HMGATUWADSOGFF-NSHDSACASA-N 238.287 0.372 10 10 BCCE Nc1ccc(CC(=O)NN2CCCC2)cc1 686770882 RXWRZZPFZTXUOP-UHFFFAOYSA-N 219.288 0.938 10 10 BCCE NCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1 698186716 VUGTWWGHMZQTIU-RYUDHWBXSA-N 222.288 0.077 10 10 BCCE Cc1nc(C(=O)N(C)c2ccc(N)cc2)n[nH]1 702075110 BYDZYWHTSBKIKD-UHFFFAOYSA-N 231.259 0.972 10 10 BCCE NCc1ccc(N2CC(n3cncn3)C2)cc1 707629751 GLDIBQAIIIPAIH-UHFFFAOYSA-N 229.287 0.798 10 10 BCCE CN(CCc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709117567 IUIDYZXNOGAPIN-CHWSQXEVSA-N 236.315 0.503 10 10 BCCE CCOCCCC(=O)OCC(=O)C(C)=O 808503948 PFGWECUZYGVWIA-UHFFFAOYSA-N 216.233 0.504 10 10 BCCE O=C(NCc1c(O)cccc1O)[C@H](O)C1CC1 1304053863 UKOZLWGMPPEEEP-LLVKDONJSA-N 237.255 0.485 10 10 BCCE COc1cc(C[C@@H](O)C(=O)O)cc(O)c1O 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O=C(N[C@H]1CCCNC1)c1cccc(O)c1O 126095592 RHPVREOEZDLABN-QMMMGPOBSA-N 236.271 0.580 10 10 BCCE COc1cccc(CNCc2nncn2C)c1O 38007528 DJRPZYYAEGPLSU-UHFFFAOYSA-N 248.286 0.819 10 10 BCCE N[C@@H](CC(=O)O)c1ccc(O)c(F)c1O 215757268 RTDCVNMUJQKIGO-YFKPBYRVSA-N 215.180 0.711 10 10 BCCE COc1c(F)ccc([C@H](N)CO)c1O 214275196 GYMAEPYXUBSIAM-SSDOTTSWSA-N 201.197 0.532 10 10 BCCE C[C@@H](CCCN)NC(=O)c1cccc(O)c1O 126836889 RGXVAIGBGCJQIN-QMMMGPOBSA-N 238.287 0.955 10 10 BCCE CCOc1cccc(CNCCC(N)=O)c1O 36747003 MVVWFMRJGASREZ-UHFFFAOYSA-N 238.287 0.756 10 10 BCCE O[C@@H]1CN[C@@H](c2ccc(N3CCOCC3)cc2)C1 1952122110 SXTSZUQTDXJKAL-UONOGXRCSA-N 248.326 0.919 10 10 BCCE OC[C@H](O)CCSc1nccs1 379319599 RHCWFMSLCMWJAI-ZCFIWIBFSA-N 205.304 0.979 10 10 BCCE CCCNC(=O)[C@@H]1COCCN1CCN=[N+]=[N-] 131287137 MRUVWRVZLHEFFB-VIFPVBQESA-N 241.295 0.524 10 10 BCCE C[C@H](CCCO)NC(=O)c1ccc(O)c(O)c1 226998953 QPGILPXIGSDWNF-MRVPVSSYSA-N 239.271 0.989 10 10 BCCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1nccs1 85224339 FJGDWERRXKQBPW-MRVPVSSYSA-N 240.292 0.744 10 10 BCCE CCn1cnnc1CNCc1ccc(O)c(O)c1 226751388 IEBAYLJDFVXKEN-UHFFFAOYSA-N 248.286 0.999 10 10 BCCE CCOCCOCCOC[C@H](N)N=[N+]=[N-] 238274837 HINFGSOWXTUQME-MRVPVSSYSA-N 218.257 0.651 10 10 BCCE O=C1CCCN[C@H]1c1cc(O)c(O)c(O)c1 1952451746 AEOIPNZXTHCEMT-JTQLQIEISA-N 223.228 0.797 10 10 BCCE Cn1c(=O)ccn(/C=C/CN=[N+]=[N-])c1=O 383702793 OCVHRBCUUBHSOP-GORDUTHDSA-N 207.193 0.328 10 10 BCCE C[C@H](O)C(=O)NCc1c(O)cccc1F 928704833 FILZESYZLCEALC-LURJTMIESA-N 213.208 0.528 10 10 BCCE COC[C@@](C)(CO)N(C)CCN=[N+]=[N-] 689756007 IAVFZTJCOALGHU-MRVPVSSYSA-N 202.258 0.626 10 10 BCCE CC(=O)C(=O)[C@H](O)[C@@H]1CCO[C@H](C)C1 1955717948 IUXWZBCCYMYVCM-GTNGPMTGSA-N 200.234 0.321 10 10 BCCE C[C@H](c1ccccc1O)N(C)C(=O)CON 708680119 DGAJTLADBMZMOY-MRVPVSSYSA-N 224.260 0.802 10 10 BCCE Cc1cc(CN)ccc1N1CC[C@@H](NC(N)=O)C1 690769712 DLRCELOOTBJLTA-LLVKDONJSA-N 248.330 0.701 10 10 BCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])COC[C@@H]1C 699427180 FCGYEABWLSJEBC-WPRPVWTQSA-N 242.279 0.855 10 10 BCCE CN1C(=O)C[C@H](N2CC[C@H](CN=[N+]=[N-])C2)C1=O 1912152716 XKAYBKMPQIQBGP-SFYZADRCSA-N 237.263 0.376 10 10 BCCE Cc1ccc(C)c(N2NC(=O)[C@@H](CCN)C2=O)c1 106649324 LAUKZQNCPXUGCI-SNVBAGLBSA-N 247.298 0.646 10 10 BCCE CNCc1ccc(N(CCO)C2COC2)cc1 1915548911 PCCXABRODKSYFD-UHFFFAOYSA-N 236.315 0.604 10 10 BCCE Nc1ccc(NCc2nc(=O)o[nH]2)cc1 1961718688 RWQROBJWXAFHDP-UHFFFAOYSA-N 206.205 0.557 10 10 BCCE C[C@@H]([C@H](NN)c1ccccc1O)S(C)(=O)=O 1936977031 SPBBEAKSZCIMGD-XVKPBYJWSA-N 244.316 0.330 10 10 BCCE Nc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)cc1 1980223650 OUABKSOYKHJHAK-QWRGUYRKSA-N 217.272 0.736 10 10 BCCE C[C@@H](CN(C)CCN=[N+]=[N-])N1CCOCC1 1988035242 JVESYCJVVZSDRV-JTQLQIEISA-N 227.312 0.949 10 10 BCCE COc1cccc(O)c1CN1C[C@H]2C[C@H]1CN2 1997932447 KMBWIORDHIWYGZ-ZJUUUORDSA-N 234.299 0.947 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CC=C[C@@H]1CO 2007529270 ORSDKAFDDRGRFI-SECBINFHSA-N 235.239 0.471 10 10 BCCE C[C@@H]1CCN(Cc2cc(N)ccc2O)[C@H]1C(N)=O 2029790528 FPZQOZXRQNOYEE-PRHODGIISA-N 249.314 0.670 10 10 BCCE O=C1CN(c2ccc(CO)cc2)C[C@@H]2CCCN12 2040411913 UDFYEGLKVLSUQR-ZDUSSCGKSA-N 246.310 0.990 10 10 BCCE CO[C@@H]1C[C@H](CO)N(CCN=[N+]=[N-])C1 308589341 ULXFHEBJYXPVOJ-HTQZYQBOSA-N 200.242 0.378 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@H]2CCCO[C@H]21 2056496812 CMAAHQAHEPKXFU-NZXMKCKXSA-N 247.298 0.957 10 10 BCCE Oc1ccccc1CN[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O 2056802729 ATXDLXFYMCSAAS-VKKKGTNTSA-N 249.310 0.756 10 10 BCCE O=C(NC[C@@H]1NC[C@H]2C[C@@H]21)c1cccc(O)c1O 2078315663 JCLKLSZCPJFJSM-JEZHCXPESA-N 248.282 0.436 10 10 BCCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)CCO1 2219518981 PITRZEVQLVQWAE-AWEZNQCLSA-N 249.310 0.957 10 10 BCCE NCc1ccc(N2CC([C@@H](O)CO)C2)cc1F 2300043285 YJEMXFMHKRZKDB-LBPRGKRZSA-N 240.278 0.074 10 10 BCCE NCc1ccc2c(c1)CCN2C[C@@H]1CNC(=O)C1 2328151037 ARZKSSHKAKHPEH-NSHDSACASA-N 245.326 0.644 10 10 BCCE N[C@H](CO)c1ccc(N2CCOCC2)cc1F 72198918 LCTCDZQBRMOSMY-GFCCVEGCSA-N 240.278 0.654 10 10 BCCE CCOC(=O)CNCc1cc(O)ccc1O 83353778 GBVNHLWQJWGXMX-UHFFFAOYSA-N 225.244 0.751 10 10 BCCE O=C(O)[C@@H](c1ccccc1O)N1C(=O)CCC1=O 83379929 NSUWMWKKMPCARL-LLVKDONJSA-N 249.222 0.667 10 10 BCCE [N-]=[N+]=NCCN1CCN2C(=O)NC[C@@H]2C1 91755710 MSIOEWTVBNLWRG-SSDOTTSWSA-N 210.241 0.006 10 10 BCCE Cc1ccc([N+](=O)[O-])c([C@@H](N)CO)c1O 95713865 JDQCQVLNXYESAS-LURJTMIESA-N 212.205 0.601 10 10 BCCE COc1ccc([C@H](C)N(C)CC(N)=O)c(O)c1 132131881 VAJUZUXRHIXGLX-QMMMGPOBSA-N 238.287 0.879 10 10 BCCE CC(=O)NCCNCc1cccc(F)c1O 165147537 LKYJVWKJCFBRRV-UHFFFAOYSA-N 226.251 0.757 10 10 BCCE COc1ccc(N(C)C)c([C@H](O)C(=O)O)c1 258522468 SFKKZYDRHOEFBM-JTQLQIEISA-N 225.244 0.879 10 10 BCCE COC[C@H](O)[C@@H](N)c1cc(C)ccc1O 308963270 KRHHCZAILWJNJP-QWRGUYRKSA-N 211.261 0.708 10 10 BCCE CN(C)C1[C@H]2CN(Cc3cc(N)ccc3O)C[C@H]12 384880189 JSUNQCMKULQQFK-RYUDHWBXSA-N 247.342 0.966 10 10 BCCE CO[C@H](C)[C@H](NCCCN=[N+]=[N-])C(=O)O 386572179 LZXGHCWXQIAONL-RQJHMYQMSA-N 216.241 0.765 10 10 BCCE Nc1ccc(CCC(=O)O[C@@H]2CCNC2=O)cc1 691429139 CHBCLCZIXIWUIJ-LLVKDONJSA-N 248.282 0.633 10 10 BCCE N[C@H]1COCc2ccc([N+](=O)[O-])c(O)c21 713769507 IJHOAOMABJNOKK-LURJTMIESA-N 210.189 0.830 10 10 BCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)C1CCNCC1 722040737 OZTOYXLDBJBUOK-SNVBAGLBSA-N 240.311 0.130 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1CCSC1 808527901 NYFXKNILSLLGHA-SSDOTTSWSA-N 216.258 0.441 10 10 BCCE CC(=O)C(=O)COC(=O)c1ccc2cncn2c1 808549153 REXUJUJEKBLIJK-UHFFFAOYSA-N 246.222 0.649 10 10 BCCE CN(C(=O)/C=C\c1cn(C)cn1)c1ccnn1C 1135347939 CXMTYURYLHHSOG-PLNGDYQASA-N 245.286 0.830 10 10 BCCE CC[C@H](O)C(=O)N(C)CCCN=[N+]=[N-] 1888653978 ISDZGZZSYMCMDM-ZETCQYMHSA-N 200.242 0.916 10 10 BCCE NC[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1O 1894166102 SPNTZXQGSKSBSD-POYBYMJQSA-N 222.244 0.175 10 10 BCCE C[C@H](O)CN1CCc2cc(O)c(O)cc2C1 1901999612 FTKSMOTUCDPVPZ-QMMMGPOBSA-N 223.272 0.837 10 10 BCCE CCN1C[C@@H](O)[C@H](N2CCC[C@@H]2CN=[N+]=[N-])C1 1908069663 HDCIBMNUGHMQCS-GMTAPVOTSA-N 239.323 0.826 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)CN1CCCC1=O 1912147812 LURPAOVXZYLJER-UHFFFAOYSA-N 225.252 0.378 10 10 BCCE COCCNC(=O)[C@@H](C)N(C)CCN=[N+]=[N-] 1912193236 CNJVGBTWWNZPTQ-MRVPVSSYSA-N 229.284 0.380 10 10 BCCE C[C@@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2O 1914406346 OQOWYBXFHYGDTG-HFKOZYHYSA-N 248.282 0.632 10 10 BCCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)C2)cc1 1942975058 WDTDSWJZXXWPMF-STQMWFEESA-N 236.315 0.239 10 10 BCCE COc1ccc(CN2C[C@@H]3C[C@H]2CN3)c(O)c1 1944208053 SOUASAMQRXROOB-QWRGUYRKSA-N 234.299 0.947 10 10 BCCE Nc1ccc(CNC[C@H]2C[C@@H](O)CCO2)cc1 1948598515 JHBYPFCXFZCNIC-QWHCGFSZSA-N 236.315 0.898 10 10 BCCE CN1CCNC[C@@H](c2cc(O)nc(O)c2)C1 1952861376 HPFDNPVERKZQHJ-SECBINFHSA-N 223.276 0.111 10 10 BCCE C[C@H](CN1CCC[C@H]1CN=[N+]=[N-])C(N)=O 1975318734 OLSZUCFNXAKDEH-SFYZADRCSA-N 211.269 0.883 10 10 BCCE Nc1ccc(N2CCCN(C=O)CC2)cc1 1977890013 CGJUQFBLQGRICT-UHFFFAOYSA-N 219.288 0.937 10 10 BCCE CNC(=O)C1(NCc2ccc(O)c(O)c2)CC1 1997407153 NICKIAOQQSADTB-UHFFFAOYSA-N 236.271 0.466 10 10 BCCE COc1cccc(O)c1CN(CC(=O)O)OC 1997932859 OMGGTVMAPUBIIG-UHFFFAOYSA-N 241.243 0.849 10 10 BCCE C[C@@H](NC(N)=O)C(=O)NCC1(CN=[N+]=[N-])CC1 2006020232 GGUQCVWDKMUXEE-ZCFIWIBFSA-N 240.267 0.250 10 10 BCCE NC[C@@H]1C=CCN1C(=O)c1cccc(O)c1O 2007500285 HSLBFSXGWUBFLB-QMMMGPOBSA-N 234.255 0.437 10 10 BCCE [N-]=[N+]=NCCCN1CC(O)(C2CCNCC2)C1 2007879745 ZMTLXSONNUWUBN-UHFFFAOYSA-N 239.323 0.733 10 10 BCCE C[C@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)cc1 2014973488 BOIBIEUOLVUBGQ-TVYUQYBPSA-N 237.299 0.672 10 10 BCCE C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(N)cc1 2016889457 TVELRDBZNATVCR-KWQFWETISA-N 234.303 0.998 10 10 BCCE C[C@H](Nc1c(N)cccc1C(=O)O)C1CNC1 2016988877 JRMOCDNPXSUBHW-ZETCQYMHSA-N 235.287 0.987 10 10 BCCE Nc1ccc(NCCC[C@H]2NC(=O)NC2=O)cc1 2032947224 GVPXHAJYWZLGGC-SNVBAGLBSA-N 248.286 0.669 10 10 BCCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 2039451714 BUSIGZHYDOJAEN-AAEUAGOBSA-N 245.326 0.718 10 10 BCCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1 2049366145 HGYHHFZQEWVBEE-OLZOCXBDSA-N 245.326 0.873 10 10 BCCE CNCc1ccc(N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2056808142 MICCSFLXNUPLSK-NEPJUHHUSA-N 247.298 0.703 10 10 BCCE Cc1cnccc1N(C)C(=O)C1=C[C@@H](O)[C@@H](N)C1 2067754446 GFFAKPOUFMCYAT-CMPLNLGQSA-N 247.298 0.371 10 10 BCCE Nc1ccc(CC(=O)NC[C@]23CNC[C@H]2C3)cc1 2071683979 BZJRQOZXPWVMRP-RISCZKNCSA-N 245.326 0.537 10 10 BCCE C[C@@H]1[C@@H](N)CCN1C(=O)COc1ccc(N)cc1 2071686701 LMFACAHBODFWOE-SKDRFNHKSA-N 249.314 0.596 10 10 BCCE C[C@@]12CC[C@@](C(N)=O)(C(=[N+]=[N-])C1=O)[C@@]2(C)CF 2078860266 RXCDWIYVMBAOIB-VWYCJHECSA-N 239.250 0.488 10 10 BCCE N=c1nnc(OC[C@@H]2CCCCCO2)n[nH]1 2210649984 ORECQOGOFJBVPM-ZETCQYMHSA-N 225.252 0.017 10 10 BCCE COc1ccc(N2CC[C@@](O)(CO)C2)cc1 2210897880 SMEYMFIYFHLKAC-LBPRGKRZSA-N 223.272 0.629 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H]2CCO[C@]2(CO)C1 2212546266 OCPWRTYRNJQIFX-ZJUUUORDSA-N 226.280 0.770 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)COCC(=O)O 2213587606 JPNGFHRFUGFVJM-BQBZGAKWSA-N 242.235 0.435 10 10 BCCE Cc1cc(CO)ccc1N1CC[C@H]1[C@@H](O)CO 2249562154 CQTATHNIZHXAGS-STQMWFEESA-N 237.299 0.419 10 10 BCCE Cc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1CO 2249566418 ADPVGINCHWISIQ-OLZOCXBDSA-N 237.299 0.419 10 10 BCCE NC1(CN2CCc3cc(O)c(O)cc3C2)CC1 2302413663 XYFLCRZNOIZDCT-UHFFFAOYSA-N 234.299 0.947 10 10 BCCE COc1ccc2c(c1)C(=[N+]=[N-])C(=O)N2C 4566785 WIDNJKBUVVPCAH-UHFFFAOYSA-N 203.201 0.691 10 10 BCCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](C)=O 40972173 SIRZIPLLCHSTIO-MLXNANBUSA-N 226.301 0.974 10 10 BCCE NS(=O)(=O)CCCNCc1ccccc1O 45066372 MRKSQUFFVUSSJN-UHFFFAOYSA-N 244.316 0.160 10 10 BCCE O=C(O)C1(c2ccc(O)c(O)c2)CCNCC1 83128504 ONLAIOTYQVONKB-UHFFFAOYSA-N 237.255 0.804 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCSC1 85223868 ZZHMVIYOKQREOC-SSDOTTSWSA-N 216.266 0.847 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCOC1 85225009 JFDZSYWSYIRJPB-MRVPVSSYSA-N 214.225 0.520 10 10 BCCE Nc1ccc(N2C(=O)N[C@@H]3COC[C@@H]3C2=O)cc1 90366071 NRIGZWQQDHMJCL-VHSXEESVSA-N 247.254 0.340 10 10 BCCE [N-]=[N+]=NCCCNC(=O)N1CCOCC1 91970784 KFIWXQXBOJVFNA-UHFFFAOYSA-N 213.241 0.729 10 10 BCCE NCC[C@@H]1C(=O)NN(c2ccc(F)cc2)C1=O 106643057 UHZAZKVJNMEHKV-SECBINFHSA-N 237.234 0.169 10 10 BCCE C[C@H]1CNC(=O)[C@H](c2ccccc2O)N1 108317553 MLWHFXUTAVZKCU-XVKPBYJWSA-N 206.245 0.541 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@@H]1CCSC1 224603514 QAAPCUQAKVEQCP-RQJHMYQMSA-N 229.309 0.493 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](CO)C3)ccc21 226454990 NDOWBPSYKBJVOC-PELKAZGASA-N 247.298 0.457 10 10 BCCE CC[C@@H](CCN)NC(=O)c1ccc(O)c(O)c1 233880801 KXKQCTMHOYHUGV-VIFPVBQESA-N 238.287 0.955 10 10 BCCE Oc1ccc(CNC[C@H]2CCOC2)c(O)c1O 236587747 CZOKFGKJQSOMTE-MRVPVSSYSA-N 239.271 0.930 10 10 BCCE O=C1CS[C@H](c2ccccc2O)NN1 238728110 IYJJXQNBXCVKMJ-SECBINFHSA-N 210.258 0.758 10 10 BCCE COC(=O)[C@@H]1O[C@@H](CN=[N+]=[N-])[C@H]1OC 308374015 SORFAJQOAXPCAX-KVQBGUIXSA-N 201.182 0.252 10 10 BCCE COc1cc(O)c([C@H](N)[C@H](C)O)cc1OC 309541822 HKVYJLAALQGZDQ-UPONEAKYSA-N 227.260 0.790 10 10 BCCE C[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 387761054 ADLVWIYVMYICQX-CPCISQLKSA-N 237.255 0.551 10 10 BCCE CNC(=O)[C@@H]1CCN(CCCN=[N+]=[N-])C1 398485942 PUATUMQCEODJLN-MRVPVSSYSA-N 211.269 0.755 10 10 BCCE Cc1cc(N)c(O)c([C@@](C)(N)CC(=O)O)c1 687743552 OXYUYGYQNUYPHW-NSHDSACASA-N 224.260 0.931 10 10 BCCE NC(=O)c1ccc(O)c([C@@H]2CCC(=O)N2)c1 687770693 NGBAPUWNCNGPGB-QMMMGPOBSA-N 220.228 0.442 10 10 BCCE CN1CCc2cc([C@@H]3CC(=O)NN3)ccc21 692707310 NVKFBABJCISXMN-JTQLQIEISA-N 217.272 0.745 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@H]1CCCN(C(N)=O)C1 701323217 OWQUMHPZUTUGSL-ZETCQYMHSA-N 240.267 0.204 10 10 BCCE C[C@@H](N)c1ccc(N(C)[C@@H]2COC[C@H]2O)cc1 709224761 QEBAKKXDUTUILB-OASPWFOLSA-N 236.315 0.902 10 10 BCCE Oc1ccccc1CN1CC[C@@]2(CNCCO2)C1 719972573 GGYPCEFYXBDTIA-CQSZACIVSA-N 248.326 0.957 10 10 BCCE [O]C(=O)/C=C/[C@@H]1N=N/C(=C2\C=S=NC2)O1 725676832 XSXVDMANFCGCAQ-PRJHWSOSSA-N 224.221 0.602 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 869652998 YBCGFXZWSUVDNO-BWVDBABLSA-N 228.244 0.501 10 10 BCCE O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H](O)C1 928711241 LUICIAVQRDITKY-OCAPTIKFSA-N 239.246 0.918 10 10 BCCE O=C(O)COc1ccc(O)c(O)c1O 1535830886 UKGNYNHCJQQFQR-UHFFFAOYSA-N 200.146 0.267 10 10 BCCE C[C@H](Oc1ccc(N)cc1)C(=O)NCCCO 1860080635 LAPWGIVYJHNQTM-VIFPVBQESA-N 238.287 0.535 10 10 BCCE OCC=CCNCc1ccc(O)c(O)c1O 1911771816 JOBYBFVZASUKBC-UHFFFAOYSA-N 225.244 0.442 10 10 BCCE CC(C)NS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912164464 WLDXQUXVIORUBI-ZETCQYMHSA-N 233.297 0.614 10 10 BCCE CCn1cnc([C@@H](NCCN=[N+]=[N-])C(N)=O)c1 1912181721 RHYOZZYIKUTIQP-MRVPVSSYSA-N 237.267 0.329 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCCNC2=O)C1 1912190524 FGYGGOJNPOVMGP-HTQZYQBOSA-N 209.253 0.650 10 10 BCCE CO[C@]1(C(=O)N(C)CCCN=[N+]=[N-])CCOC1 1912197969 AQZNKOIVNKAJOJ-SNVBAGLBSA-N 242.279 0.951 10 10 BCCE [N-]=[N+]=NC1CCN([C@@H]2CC(=O)NC2=O)CC1 1912205199 DSSLHLVLKUNMFV-SSDOTTSWSA-N 223.236 0.176 10 10 BCCE CC1(C)CN(Cc2ccc(N)cc2)CC(=O)N1 1945310054 GDCAURLPRORVMA-UHFFFAOYSA-N 233.315 0.979 10 10 BCCE C[C@@H](c1ccc(O)cc1O)N1CC(O)(CN)C1 1949108372 FAWQUTVTPZMFDE-QMMMGPOBSA-N 238.287 0.164 10 10 BCCE Cc1ccc([C@@H]2CNCC(=O)N2C)c(O)c1 1952064495 NHHCVNYWZCKOOG-JTQLQIEISA-N 220.272 0.803 10 10 BCCE COC(=O)[C@@H]1CCN[C@H]1c1c(O)cccc1O 1952824880 FMGZFKCRYQCGNT-RDDDGLTNSA-N 237.255 0.921 10 10 BCCE [N-]=[N+]=NCCCN1CC(=O)N[C@@H]2CC[C@@H]21 1960951909 PUMHPQXEDKLLMV-SFYZADRCSA-N 209.253 0.650 10 10 BCCE [N-]=[N+]=NCCCCN1CCNC[C@@H](O)C1 1962298761 IBQIJXDOLFJAPU-SECBINFHSA-N 213.285 0.343 10 10 BCCE CO[C@@H]1CN(CCN=[N+]=[N-])[C@](C)(CN)C1 1962303559 HRSHEKFHEWATCL-IUCAKERBSA-N 213.285 0.735 10 10 BCCE NC[C@H]1C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1973246544 GNRMLSHIPVGNGK-BDAKNGLRSA-N 236.271 0.104 10 10 BCCE CN(CCN=[N+]=[N-])C[C@@H]1CO[C@@H]2COC[C@H]21 1975829259 JJGOVGBRPBQNCJ-KXUCPTDWSA-N 226.280 0.890 10 10 BCCE [N-]=[N+]=NCCN1CC[C@]2(O)CCOC[C@H]2C1 1990412845 JURQOULNRDXYFI-ZJUUUORDSA-N 226.280 0.770 10 10 BCCE CN(C[C@@H]1CNC(=O)O1)c1ccc(CN)cc1 1998255444 KFGLPDXAXSHQJC-NSHDSACASA-N 235.287 0.690 10 10 BCCE CO[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1N 2009267964 GQPZJBFOZJFJGV-JQWIXIFHSA-N 240.278 0.689 10 10 BCCE Cc1ccc(O)c([C@H](C)NCC(CO)CO)c1 2009639163 YCXJOTLWHXTRAA-JTQLQIEISA-N 239.315 0.952 10 10 BCCE Nc1ccc(CC(=O)NCC2CC(CO)C2)cc1 2049627353 FMLGORUJKWDKEA-UHFFFAOYSA-N 248.326 0.946 10 10 BCCE CN1C(=O)N[C@@H]2CN(c3ccc(N)cc3)CC[C@H]21 2051565466 ORSAPXCBECZZJC-VXGBXAGGSA-N 246.314 0.871 10 10 BCCE CN(C(=O)Nc1ccc(N)cc1)C1[C@H]2CNC[C@H]12 2071567603 YKEVQNOVSDWZMG-QWRGUYRKSA-N 246.314 0.950 10 10 BCCE Nc1ccc(OCC(=O)NC[C@H](N)C2CC2)cc1 2071732830 WVMVOTHCKFZAFN-LBPRGKRZSA-N 249.314 0.501 10 10 BCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2COC[C@@H]21 2077839297 AJNOXCKUXQDVPO-SCZZXKLOSA-N 249.266 0.959 10 10 BCCE CO[C@H]1C[C@@H]1Cn1ccc2c(c1=O)CNCC2 2215567365 XXGFFAXMAFVHTJ-PWSUYJOCSA-N 234.299 0.529 10 10 BCCE CO[C@@H](CN)[C@@H](O)c1ccc2c(c1)CCN2C 2307087862 WURKGSWIBATIAF-STQMWFEESA-N 236.315 0.686 10 10 BCCE N[C@@H]1CCN[C@@H](c2ccc(O)c(O)c2)C1 107149642 GJQJVZWLQQKUMW-RKDXNWHRSA-N 208.261 0.850 10 10 BCCE COc1ccc(O)c([C@@H]2COCC(=O)N2)c1 309332806 XPVWKKFAZHQLAT-VIFPVBQESA-N 223.228 0.588 10 10 BCCE N[C@H](CO)c1cc(F)c(F)c(F)c1O 72198032 RGWKJQGOSAZLHV-RXMQYKEDSA-N 207.151 0.802 10 10 BCCE COc1cc(N)c(N(C)CC(N)=O)cc1OC 213430961 VEBUYYZUQCHOTQ-UHFFFAOYSA-N 239.275 0.208 10 10 BCCE COCCNC(=O)CN(C)c1ccc(N)cc1 49278629 AQMCJTAUEMLAGT-UHFFFAOYSA-N 237.303 0.468 10 10 BCCE CCOC(=O)[C@H](O)c1cccc(O)c1O 136719874 UVWOFPAASXVNJN-SECBINFHSA-N 212.201 0.694 10 10 BCCE O=C1Cc2ccc([N+](=O)[O-])cc2CC(=O)C1=O 199207479 RNLIXGFRFFUSQB-UHFFFAOYSA-N 233.179 0.401 10 10 BCCE C[C@H](O)CN(C)C(=O)[C@H]1CNc2ccccc2N1 229880587 ARSBVPXHQLWXGW-JOYOIKCWSA-N 249.314 0.732 10 10 BCCE CC(C)(CC(N)=O)NCc1cccc(O)c1O 227056977 SFZHNBSKUKTXAV-UHFFFAOYSA-N 238.287 0.841 10 10 BCCE N[C@@H]1C=C[C@@H](C(=O)NCc2ccccc2O)C1 228423036 LXFOJBRFHRGHPN-MWLCHTKSSA-N 232.283 0.912 10 10 BCCE CN1C(=O)C[C@@H](N)[C@H]1c1ccc(O)c(O)c1 84420227 ICXJZVWWUDOCIO-RDDDGLTNSA-N 222.244 0.328 10 10 BCCE CNCCc1cc(O)c(O)c(O)c1C=O 238349977 RLASCMVMIQFLAG-UHFFFAOYSA-N 211.217 0.378 10 10 BCCE Oc1cc(CN2CCNCC2)cc(F)c1O 258405539 KVJVHUGQHSMUJX-UHFFFAOYSA-N 226.251 0.642 10 10 BCCE [N-]=[N+]=N[S@]([O])(=O)=C1C=C[C@H](C(=O)O)S1 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713733178 TVMJPXGZZDMKIX-LLVKDONJSA-N 209.245 0.580 10 10 BCCE N[C@@]1(CO)CCc2c(F)cc(F)c(O)c21 713786097 PEQGYOYYQCTQFU-SNVBAGLBSA-N 215.199 0.763 10 10 BCCE CN1CCc2cc([C@@]3(N)C[C@@H]3C(=O)O)ccc21 1952746938 XWPXZQKSAUGJGW-MFKMUULPSA-N 232.283 0.937 10 10 BCCE CCSC[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895031900 QCBLOMNXKQGBPV-IWSPIJDZSA-N 244.360 0.332 10 10 BCCE O=C(O)/C=C/[C@H]1NCCc2c(O)ccc(O)c21 75799211 HTXOLSCHHXMYAH-YKXFLQSUSA-N 235.239 0.925 10 10 BCCE CN(C[C@@H]1CNC(=O)C1)c1ccc(N)cc1 702056898 WUMHEVMCKKXPOR-VIFPVBQESA-N 219.288 0.841 10 10 BCCE C[C@@H]1COC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912175944 SDPNNEXOMWXMJZ-HTRCEHHLSA-N 210.237 0.790 10 10 BCCE [N-]=[N+]=NCCCCN1CCOC[C@@H]1C(N)=O 1912158620 XZMWHFKPDOIJDB-MRVPVSSYSA-N 227.268 0.263 10 10 BCCE [N-]=[N+]=NCCCCN1CCNC(=O)CC1 1912143171 BKYHFGHSONDZKT-UHFFFAOYSA-N 211.269 0.899 10 10 BCCE NCc1ccc(N2CC=C[C@H]2CO)cc1 1909056055 MQIYGENYLDJGGT-LBPRGKRZSA-N 204.273 0.882 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CN2CCCC2)C1 1912201501 VJCGCEUCSHFNBT-SECBINFHSA-N 223.280 0.993 10 10 BCCE Cc1ccc(O)c([C@@H](NCCCO)C(=O)O)c1 211716453 VKUSSASSQRNTRA-LLVKDONJSA-N 239.271 0.798 10 10 BCCE CC(C)(c1cccc(O)c1O)[C@H](O)C(=O)O 1535736639 MLGRMLYIDNVIMR-SECBINFHSA-N 226.228 0.821 10 10 BCCE CC(C)(c1ccc(O)c(O)c1)[C@H](O)C(=O)O 1535861383 XUKMYRHINRUSHV-SECBINFHSA-N 226.228 0.821 10 10 BCCE Cn1cnc(C(=O)NCc2cc(O)ccc2O)c1 1633594966 BZCDFDBSSWYNJM-UHFFFAOYSA-N 247.254 0.761 10 10 BCCE COCCN[C@@H](C(=O)OC)c1ccccc1O 166136846 CYKFZEPXIPLYCY-LLVKDONJSA-N 239.271 0.842 10 10 BCCE C[C@@H](N)CN(C)c1ccc2c(c1)N(C)C(=O)CO2 258683841 FCNGCNVUPMDENN-SECBINFHSA-N 249.314 0.825 10 10 BCCE CN[C@H](Cn1cncn1)c1ccccc1O 1936984243 VAWUPTLUOPRWOS-SNVBAGLBSA-N 218.260 0.944 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)C1 1940582211 OTADWVGFOPQQCK-SECBINFHSA-N 237.255 0.234 10 10 BCCE C[C@H](CN(C)c1ccc(N)cc1)C(N)=O 37227694 VBMYEZPERRZDRQ-MRVPVSSYSA-N 207.277 0.826 10 10 BCCE Oc1c(F)cccc1CNC[C@H]1COC[C@@H]1O 1948496495 RFVCECLTYBCXMK-ONGXEEELSA-N 241.262 0.628 10 10 BCCE CN1CCOC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 1949963655 JYQYNNQWYHKQSN-SECBINFHSA-N 241.295 0.524 10 10 BCCE [N-]=[N+]=NCCNC1(C(=O)O)C[C@H]2COC[C@@H]2C1 1950297459 ONPPGPWERFZANW-YUMQZZPRSA-N 240.263 0.766 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)[C@H]2C[C@@H]2[C@H]2C[C@H]21 1979450313 SWLJTBNIXFUKOA-BGJNVIQHSA-N 222.248 0.996 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)[C@H]1[C@H]2CCC[C@H]21 1979782105 HGEHUTMNEOACAX-BZNPZCIMSA-N 223.280 0.786 10 10 BCCE [N-]=[N+]=NCCN1CCN2CCCC[C@H]2C1=O 1981045944 PEXPOFUWBKEVCB-VIFPVBQESA-N 223.280 0.993 10 10 BCCE C[C@H](COCCc1ccc(N)cc1)C(N)=O 1983131579 FFWCWQWMMBKCQE-SECBINFHSA-N 222.288 0.949 10 10 BCCE CNC[C@H](C)NC(=O)Nc1ccc(N)cc1 1989300223 KBNDOMMVIWSQED-QMMMGPOBSA-N 222.292 0.998 10 10 BCCE CN(C)c1ccc([C@H](CN2CCC2)NN)cc1 1999528254 YUCMPEVHVUTRLO-ZDUSSCGKSA-N 234.347 0.963 10 10 BCCE NCc1ccc(N2CC3(CNC(=O)C3)C2)cc1 2007249455 BXFROJFJRKXEBB-UHFFFAOYSA-N 231.299 0.472 10 10 BCCE Nc1ccc(N2CCO[C@@]3(CCNC3)C2)cc1 2016923109 VIDJGKDPJLEYHD-CYBMUJFWSA-N 233.315 0.838 10 10 BCCE NCC1(NC(=O)Cc2ccc(N)cc2)CCC1 2016992809 QXIIPAZMSCYUIW-UHFFFAOYSA-N 233.315 0.809 10 10 BCCE Nc1cc2c(cc1N1CC[C@H](N)C1)OCCO2 2016929779 OFACJSLPPYBYIL-QMMMGPOBSA-N 235.287 0.577 10 10 BCCE C[C@@]1(N)CCN(C(=O)c2cccc(O)c2O)C1 405778312 BHYMCXDMLZWANZ-GFCCVEGCSA-N 236.271 0.661 10 10 BCCE [N-]=[N+]=NCCNC(=O)CN1CCCCCC1=O 701319557 RWLVWBZKUUEMRT-UHFFFAOYSA-N 239.279 0.816 10 10 BCCE Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]2C(=O)O)cc1 714874070 JTPPHLLVWTWYLY-ONGXEEELSA-N 248.282 0.648 10 10 BCCE O=C1C[C@H](CNCc2ccc(O)c(O)c2)CN1 398348367 QSHGNIGBTFCZRT-SECBINFHSA-N 236.271 0.324 10 10 BCCE CNC(=O)c1ccnn1-c1ccc(O)c(O)c1 2069839920 DPOAMMHJKFEPFT-UHFFFAOYSA-N 233.227 0.643 10 10 BCCE CNCc1cn(-c2ccc(O)c(O)c2)nc1O 2070694352 OTWNUUWGQQNODL-UHFFFAOYSA-N 235.243 0.709 10 10 BCCE CN(C)c1ccc(OC[C@H](N)CCO)cc1 2211924731 CMZIIKGNRUVTRW-SNVBAGLBSA-N 224.304 0.841 10 10 BCCE CN1CC2(CCN2Cc2cc(N)ccc2O)C1 2216571739 LHMYRQCGOLGMRE-UHFFFAOYSA-N 233.315 0.864 10 10 BCCE CN(Cc1ccccc1O)c1nc(=N)n(C)[nH]1 2304518871 KSWRPSVABNIHKX-UHFFFAOYSA-N 233.275 0.570 10 10 BCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2308768248 DMELSYHZDYHLKR-XUNJKSNWSA-N 249.310 0.670 10 10 BCCE CN(C)/C=C1/C(=N)N=C(N2CCCCC2)NC1=O 101450683 OVOBBGQKUXAPEU-HJWRWDBZSA-N 249.318 0.381 10 10 BCCE Cc1cccc([C@@H]2CN(C)C(=O)CN2)c1O 1951863472 OHGVACNVENYTGK-JTQLQIEISA-N 220.272 0.803 10 10 BCCE CCOc1cccc(CNCCN)c1O 37712390 VFCHADQPTTXSIG-UHFFFAOYSA-N 210.277 0.839 10 10 BCCE [N-]=[N+]=NC[C@@H]1O[C@H](C(=O)O)CC[C@H]1O 306346995 BYXGERVBJYULFM-SRQIZXRXSA-N 201.182 0.290 10 10 BCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1COCCO1 231730918 UVEOBDSMIMAYJX-MRVPVSSYSA-N 228.252 0.609 10 10 BCCE CN(C)c1ccc([C@@H]2NC(=O)[C@@H]2N)cc1 74202754 QJKZFMVAMVLGNE-ZJUUUORDSA-N 205.261 0.251 10 10 BCCE CCOC(=O)[C@@H](CO)NCCCN=[N+]=[N-] 130255277 HARIVZGVYCIPIZ-SSDOTTSWSA-N 216.241 0.200 10 10 BCCE N[C@@H](CO)c1cc2c(c(Cl)c1O)OCCO2 217735313 ADLYPPKQHRBTSE-LURJTMIESA-N 245.662 0.809 10 10 BCCE O=C(O)[C@H]1CCN[C@@H]1c1ccc(O)c(O)c1 82362876 UWSBALOSGMKYSP-OIBJUYFYSA-N 223.228 0.833 10 10 BCCE COC[C@@H](O)CCNCc1ccc(O)c(O)c1 226762068 DVPZBOZEZSCAFO-JTQLQIEISA-N 241.287 0.585 10 10 BCCE O=C(O)C[C@H]1NCCc2ccc(O)c(O)c21 83724876 FITROCDJLAPFTF-SSDOTTSWSA-N 223.228 0.759 10 10 BCCE [N-]=[N+]=N[C@H]1C[C@@H]2CCC[C@@H](CO)N2C1=O 221606395 CACXAWWQTZNJBE-FXQIFTODSA-N 210.237 0.811 10 10 BCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCCOC1 90257576 MASLMUABZIDQEZ-SNVBAGLBSA-N 242.279 0.999 10 10 BCCE COc1ccc(O)c([C@H]2CNC(=O)N2)c1 95689481 IEAFYIBSUVKXKB-MRVPVSSYSA-N 208.217 0.755 10 10 BCCE [N-]=[N+]=NS(=O)(=O)C1CC(C(=O)O)C1 642826070 KKDAJDMDWSNRGJ-UHFFFAOYSA-N 205.195 0.490 10 10 BCCE CCC[C@H](O)[C@@H](N)c1c(O)cc(O)cc1O 396678662 CDLKQYBJYCTKPD-WRWORJQWSA-N 227.260 0.964 10 10 BCCE O=C(NCc1ccccc1O)N[C@H]1CCNC1=O 852409592 SQTUORVRTVAMLN-VIFPVBQESA-N 249.270 0.080 10 10 BCCE COc1ccc(N2CCNC(=O)C[C@@H]2C)cc1N 84576027 ZYQCQBVFSWSIHN-VIFPVBQESA-N 249.314 0.992 10 10 BCCE COc1ccc(O)c([C@H](C)NC[C@@H](O)CO)c1 90282805 NFKXNRKCQDRJDQ-DTWKUNHWSA-N 241.287 0.405 10 10 BCCE CCOc1cccc(CNC(=O)CCN)c1O 83365692 ZOLHIRFSQUEVPD-UHFFFAOYSA-N 238.287 0.756 10 10 BCCE OC[C@H]1C[C@H]1NCc1ccc(O)cc1O 389845389 NJGSTSYTHZDIJP-PSASIEDQSA-N 209.245 0.568 10 10 BCCE CC(C)N1CCN(CCN=[N+]=[N-])C(=O)C1=O 166594932 IWVOORCAGJDRQE-UHFFFAOYSA-N 225.252 0.376 10 10 BCCE CCn1nnnc1CN1CCC[C@H](N=[N+]=[N-])C1 1912175540 NAINNPMHMUNCES-QMMMGPOBSA-N 236.283 0.968 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(Cc2nccc(=N)[nH]2)C1 1912154858 JKGSCXKUBIXFRW-ZETCQYMHSA-N 219.252 0.774 10 10 BCCE Cn1ccnc1-c1n[nH]c2c1CCNC2 238523961 ZCCIMKLQMQPRJF-UHFFFAOYSA-N 203.249 0.456 10 10 BCCE CN(C)[C@H]1COC[C@@H]1NCc1ccc(N)cc1 1922037447 VFYXTGKGWMCPMA-STQMWFEESA-N 235.331 0.687 10 10 BCCE COc1cc([C@H](O)CCN)cc(O)c1O 1535811406 GEVLBJAESGOGRV-SSDOTTSWSA-N 213.233 0.489 10 10 BCCE C[C@H](Oc1ccc(N)cc1)C(=O)N(C)CCO 1860081636 ARENTSXYWXVVIF-VIFPVBQESA-N 238.287 0.487 10 10 BCCE O=C(CC1CNC1)NCc1ccccc1O 163195134 VIQSSGXQWICTMH-UHFFFAOYSA-N 220.272 0.618 10 10 BCCE CCOc1ccc(N(C)C[C@H](N)CO)cc1F 259269184 ZNVVSVGMIXRQBM-VIFPVBQESA-N 242.294 0.980 10 10 BCCE Oc1ccccc1CNCCc1cnn[nH]1 1936782249 ICMPVKUZVQKFNT-UHFFFAOYSA-N 218.260 0.843 10 10 BCCE OCc1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1 1938400738 VKLXQLPVJJYESQ-DRZSPHRISA-N 219.284 0.996 10 10 BCCE Nc1ccc(CN2C[C@H](CO)C[C@@H]2CO)cc1 1942227357 HMJJDNNPHQVTJW-DGCLKSJQSA-N 236.315 0.444 10 10 BCCE Oc1ccc(CCNC[C@H]2CCCN2)cc1O 1943624014 DIHLRDPLCMLXNR-LLVKDONJSA-N 236.315 0.982 10 10 BCCE Cc1ccc(O)c([C@@H](C)N(CCN)CCN)c1 1946768010 PZGYOEUCRYFFOK-LLVKDONJSA-N 237.347 0.981 10 10 BCCE C[C@]1(CO)CNCCN1CCCN=[N+]=[N-] 1962287653 LKVKXZDCQCWHDM-SECBINFHSA-N 213.285 0.343 10 10 BCCE NCc1ccc(N2CCOC[C@H](CO)C2)cc1 1948821934 YQRYHTZGZAWEMW-LBPRGKRZSA-N 236.315 0.590 10 10 BCCE CN(Cc1ncoc1CCN)c1cnn(C)c1 2004091162 BYQDDUCTOUOVSM-UHFFFAOYSA-N 235.291 0.546 10 10 BCCE N[C@@H](c1ccccc1O)[C@H]1CCS(=O)(=O)C1 257822978 BDTAIMLDFNUPAI-GZMMTYOYSA-N 241.312 0.827 10 10 BCCE Nc1ccccc1N[C@@H]1CNCC[C@H]1CO 1989338917 WDSOYHGVZJAKDY-JOYOIKCWSA-N 221.304 0.651 10 10 BCCE Nc1ccc(CCC(=O)N[C@H]2C[C@@H](O)C2)cc1 1996766695 CJVBGOYZYMHHIY-TXEJJXNPSA-N 234.299 0.841 10 10 BCCE COc1ccc(N2CCO[C@@H](CN)C2)c(F)c1 1999184801 WLSMCHKXSUEXMJ-JTQLQIEISA-N 240.278 0.998 10 10 BCCE COc1cc(N2CC=C[C@@H]2CO)ccc1CO 2024763504 VCJUPOIOJGCFNJ-GFCCVEGCSA-N 235.283 0.925 10 10 BCCE CN(C)C1CN(c2cc3c(cc2N)OCCO3)C1 382543574 IPCHXXVXNKEMQS-UHFFFAOYSA-N 249.314 0.790 10 10 BCCE NCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)cc1 396882006 LKZTXIMWRXLUMK-YPMHNXCESA-N 236.315 0.325 10 10 BCCE COc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(N)c1 1909036419 DGWJFQJQGPJWJQ-NEPJUHHUSA-N 238.287 0.209 10 10 BCCE Nc1ccc(OCC(=O)NCc2cnco2)cc1 2043686673 NIJPWWURRQOQHN-UHFFFAOYSA-N 247.254 0.952 10 10 BCCE CN(C)c1ccc([C@@H](O)CN2CC[C@H](N)C2)cc1 2050172225 BNTNIUYALSXCLA-JSGCOSHPSA-N 249.358 0.819 10 10 BCCE O=C(O)c1ccc(=NCc2ccccc2O)[nH]n1 2053244413 PAOSWUJYFCXFOC-UHFFFAOYSA-N 245.238 0.914 10 10 BCCE CC(=O)C(=O)CC(=O)c1cccc2nnn(C)c12 2064258754 AATDZZXKERWJLQ-UHFFFAOYSA-N 245.238 0.699 10 10 BCCE COc1ccc(N2CCN(C)CC2)c(CO)c1 2214861979 KAFKWCGFVDIAHE-UHFFFAOYSA-N 236.315 0.939 10 10 BCCE Cc1cc([C@@H](C)O)ccc1N1CC(NC(N)=O)C1 2223977524 GIJWDIAFZIEKPM-SECBINFHSA-N 249.314 0.905 10 10 BCCE COc1cscc1[C@H](O)C(=O)C(C)=O 2241880759 KWKKOWTVPOIZLP-VIFPVBQESA-N 214.242 0.948 10 10 BCCE Oc1ccc(CCN[C@H]2[C@@H]3CNC[C@H]2C3)cc1O 2258316832 NTWLDSVDWWTJAC-GNXNZQSNSA-N 248.326 0.838 10 10 BCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1F 2249541809 MMYYGECTJCVHDN-QWRGUYRKSA-N 241.262 0.766 10 10 BCCE NC[C@]1(O)CCCc2c1ccc(O)c2O 11422300 BPZBYDMVSAQLHO-LLVKDONJSA-N 209.245 0.580 10 10 BCCE C[C@H](CO)NC(=O)CCc1ccc(N)cc1 38051694 JGWIUOZERCUOPY-SECBINFHSA-N 222.288 0.698 10 10 BCCE CCN(CC)CCN1C(N)=NC[C@H]1CN=[N+]=[N-] 93382484 ZRLLMNYMBCTWEC-VIFPVBQESA-N 239.327 0.637 10 10 BCCE CCOc1cccc([C@H](N)C(=O)OC)c1O 95639563 DJVFTCRHKBAOAG-VIFPVBQESA-N 225.244 0.964 10 10 BCCE CCN(C[C@@H](O)CO)c1ccc(N)cc1 122141395 AOFKRYXTBZJOAQ-LLVKDONJSA-N 210.277 0.448 10 10 BCCE C[C@@](N)(CCO)c1c(O)cccc1CO 238429796 YYIFMTZOZBKUJC-LLVKDONJSA-N 211.261 0.441 10 10 BCCE CN1C[C@@H]2[C@H](N)[C@H]2[C@@H]1c1ccccc1O 250631930 RIFBWWVSNHNDCS-VGDYDELISA-N 204.273 0.952 10 10 BCCE CN(CN1CCNCC1)c1ccc2c(c1)CCO2 258961491 SXZHNQLLTULERD-UHFFFAOYSA-N 247.342 0.920 10 10 BCCE NC1[C@@H]2CN(Cc3ccccc3O)C[C@@H]12 259201921 JDXHPLZCJSEXGK-NXEZZACHSA-N 204.273 0.781 10 10 BCCE COC(=O)[C@@H](N)c1c(O)ccc2c1COC2 260934682 JNQQHLXMGHOLNG-JTQLQIEISA-N 223.228 0.595 10 10 BCCE Cc1ccc2c(c1O)[C@](N)(C(=O)O)CCO2 309147301 IZULUJIFQAMXRN-NSHDSACASA-N 223.228 0.722 10 10 BCCE COc1cccc(O)c1[C@@H]1NCC(=O)N1 380322699 KYUJXZHWAOOTJY-SNVBAGLBSA-N 208.217 0.119 10 10 BCCE CO[C@H](C(C)C)[C@@H](NCCN=[N+]=[N-])C(N)=O 386164642 VMNKXHVVDORJGZ-HTQZYQBOSA-N 229.284 0.411 10 10 BCCE CCCn1ccnc1C1=C[C@@H](O)CNC1 675076539 CUOPPYQKPMIFQN-SNVBAGLBSA-N 207.277 0.641 10 10 BCCE CC[C@@H]1COC[C@]1(NCCN=[N+]=[N-])C(=O)OC 699488603 ZKHRWNPMBPKQAF-PSASIEDQSA-N 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239.271 0.324 10 10 BCCE COc1cc(Cl)cc([C@@H]2NCC(=O)N2)c1O 390505579 WTOFJQWVJIYNMU-SNVBAGLBSA-N 242.662 0.772 10 10 BCCE CCN[C@H](C(N)=O)c1c(C)cccc1O 1958778485 CBDXRYLYLPQSKE-JTQLQIEISA-N 208.261 0.837 10 10 BCCE C[C@H](C(N)=O)N(C)c1c(F)cc(CO)cc1F 711079071 DPINPDBWVOSFFM-ZCFIWIBFSA-N 244.241 0.767 10 10 BCCE O=C(N[C@H]1CCCC1=O)c1ccc(O)c(O)c1 715907941 GCRWOFAKAJTTSR-QMMMGPOBSA-N 235.239 0.949 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cn[nH]c1 693496591 PJJQZQLPQYVPKD-ZCFIWIBFSA-N 210.197 0.435 10 10 BCCE Cn1nncc1C(=O)NCc1cc(O)ccc1O 1176755723 UBZLOEPNJMEEEH-UHFFFAOYSA-N 248.242 0.156 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)c1n[nH]c(C)n1 1900606374 CXJCOCOULCVFBM-UHFFFAOYSA-N 223.240 0.886 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)Nc2ncccn2)C1 1912144232 PYDJUIANRHLDRG-MRVPVSSYSA-N 247.262 0.800 10 10 BCCE COC(=O)[C@@H](O)CN1CCC[C@@H](CN=[N+]=[N-])C1 1912195910 RHIABWZFKXPWGY-IUCAKERBSA-N 242.279 0.543 10 10 BCCE CN(CCN=[N+]=[N-])[C@@H]1CS(=O)(=O)C1(C)C 1912170095 SIIPABBDSDDKIQ-SSDOTTSWSA-N 232.309 0.804 10 10 BCCE Cc1nccc(C(=O)N2CC(N=[N+]=[N-])C2)n1 1912151828 LWTVPCDBVYVWRA-UHFFFAOYSA-N 218.220 0.920 10 10 BCCE CN(CCF)C[C@@H](O)COc1ccc(N)cc1 1916990770 HUWOSHWAOZFUGO-LLVKDONJSA-N 242.294 0.910 10 10 BCCE COC[C@@H](O)COCc1ccc(N)cc1 1924879749 TVBHILGMKAGIRG-LLVKDONJSA-N 211.261 0.793 10 10 BCCE O=C(Cc1ncc[nH]1)NCc1cccc(O)c1O 1558161026 FLBMFADDXAMGOJ-UHFFFAOYSA-N 247.254 0.680 10 10 BCCE CN(C)c1ccc([C@@](C)(N)C(CO)CO)cc1 1927623413 DYLAGNYWYDPMAY-CYBMUJFWSA-N 238.331 0.527 10 10 BCCE Cn1ccnc1-c1c(CCN)ncn1C 1927866100 FXMGIUHRWJFAOD-UHFFFAOYSA-N 205.265 0.322 10 10 BCCE Oc1ccc(Cl)cc1CN[C@H]1COC[C@@H]1O 134224440 YTLNCOVXGZAQPK-ONGXEEELSA-N 243.690 0.895 10 10 BCCE CC(=O)N1CCN(CCc2ccc(N)cc2)CC1 19680473 VPOKOCYCJWPODC-UHFFFAOYSA-N 247.342 0.975 10 10 BCCE CN(C(=O)Cn1cnnc1)c1ccc(N)cc1 1942633951 COJWLXPKYBXTTH-UHFFFAOYSA-N 231.259 0.523 10 10 BCCE OC[C@H](O)CCNCc1cc(F)cc(F)c1O 1963627864 SNLTWLQRGQFCNT-SECBINFHSA-N 247.241 0.503 10 10 BCCE 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NCc1ccc(N2[C@H](CO)C[C@H]3OCC[C@H]32)cc1 2030079176 HYMNEVKOWJFWTN-BFHYXJOUSA-N 248.326 0.874 10 10 BCCE NCc1ccc(N2CC[C@](O)(CO)C2)c(F)c1 313661096 XFLIEQVVUMISKG-GFCCVEGCSA-N 240.278 0.218 10 10 BCCE CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701338909 XWWYNGUWEBZPOR-SECBINFHSA-N 239.279 0.766 10 10 BCCE O=C(NCc1cnc(O)[nH]1)c1ccc(O)c(O)c1 379799300 MCPPBUUQYLSZFM-UHFFFAOYSA-N 249.226 0.457 10 10 BCCE O=C(c1cc(O)nc(O)c1)N1Cc2c[nH]nc2C1 382239250 XNGXIABDFMTWRU-UHFFFAOYSA-N 246.226 0.372 10 10 BCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@@H]3[C@H]2CO)c1 1910393034 PRROOOGBGCWDSJ-KPXOXKRLSA-N 234.299 0.787 10 10 BCCE N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)c1ccc(O)c(O)c1 2057973541 PIQUCPMCHQSBMW-IVZWLZJFSA-N 248.282 0.660 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@@H]43)ccc21 2066311058 WJBBUOZHVVOLEI-MKCWBWRRSA-N 245.282 0.474 10 10 BCCE CN(Cc1ccccc1O)c1nc(CO)n(C)n1 2072466896 KXUVDKATQQQXKZ-UHFFFAOYSA-N 248.286 0.649 10 10 BCCE O[C@H]1[C@H]2C[C@@H]([C@@H]1O)N(c1ccc3c(c1)CCO3)C2 2219581768 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[N-]=[N+]=NCCCCN1C[C@H](O)[C@@H](CO)C1 1912160691 ZGIDKSDPSAUEHC-BDAKNGLRSA-N 214.269 0.362 10 10 BCCE CC(C)N1CC[C@H](N2CC(N=[N+]=[N-])C2)C1=O 1912172625 VKUSXAWTDWQMOY-VIFPVBQESA-N 223.280 0.990 10 10 BCCE CN(CCCCN=[N+]=[N-])[C@@H]1COC[C@@H]1O 1912182422 BKRCAVPSAMOMAD-BDAKNGLRSA-N 214.269 0.768 10 10 BCCE CN(CCN1CCNC1=O)Cc1ccc(N)cc1 35063953 GFOVTVKIFVTGIO-UHFFFAOYSA-N 248.330 0.726 10 10 BCCE Cc1cccc(CN[C@H]2COC[C@@H]2O)c1O 134415502 NHEYCSZIVFXBQX-QWRGUYRKSA-N 223.272 0.550 10 10 BCCE CN1CCN(CCCCN=[N+]=[N-])C(=O)C1 1961460982 MFLMKKXYOYWZFL-UHFFFAOYSA-N 211.269 0.851 10 10 BCCE Cc1c([C@@H](N)c2ccccc2O)nnn1C 1936971026 RHLGVWBYXGYPIM-JTQLQIEISA-N 218.260 0.877 10 10 BCCE CC1(N)CN(Cc2ccc(O)cc2O)C1 1204965705 KCPWOBRJKGHAIC-UHFFFAOYSA-N 208.261 0.631 10 10 BCCE Nc1ccc(OCC(=O)NC[C@H](O)CF)cc1 1945098465 DMDCTLGNIRAXIK-SECBINFHSA-N 242.250 0.094 10 10 BCCE Nc1ccc(O)c(CN2CCC[C@H](O)C2)c1 36798331 MLOVPABWZUHQHX-NSHDSACASA-N 222.288 0.931 10 10 BCCE COC(=O)[C@H]1CS[C@@H](CN=[N+]=[N-])N1 1883010043 IPXAPKNVHDZABC-UHNVWZDZSA-N 202.239 0.501 10 10 BCCE Cn1nnc(CNCc2ccc(F)cc2O)n1 1964569113 CSDKEBGSMUNHJF-UHFFFAOYSA-N 237.238 0.345 10 10 BCCE N[C@H]1C=C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980378490 VKSULNLLIZACEI-DOLQZWNJSA-N 222.288 0.155 10 10 BCCE [N-]=[N+]=NCCCCN1CCOCC12CNC2 1982243381 YQQSJBSTNPOZCC-UHFFFAOYSA-N 225.296 0.751 10 10 BCCE CC(CO)(CO)CN1CCC[C@H]1CN=[N+]=[N-] 1984485041 DDASVMXBLIKINM-VIFPVBQESA-N 228.296 0.752 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@@H]1CNC(=O)C1 1984484939 BZUSTDHVUMHTTN-IUCAKERBSA-N 223.280 0.897 10 10 BCCE C[C@@H](CCN)Nc1c(N)cccc1C(N)=O 1989367149 ABRGKTKPXKEOBW-ZETCQYMHSA-N 222.292 0.517 10 10 BCCE CONCC(=O)N[C@H](C)c1ccccc1O 1989689405 DAXSVRUFZWRBDF-MRVPVSSYSA-N 224.260 0.720 10 10 BCCE NCCN(CCN)c1ccc(OC2CC2)cc1 1999221339 QLAFRHNIZRVEDV-UHFFFAOYSA-N 235.331 0.952 10 10 BCCE Oc1cccc(F)c1CN[C@@H]1C[C@@H](O)C[C@@H]1O 2000834426 SOEASZWQNLBOKU-XXFPWJFMSA-N 241.262 0.505 10 10 BCCE COc1ccc(CN[C@H]2C[C@H]2CO)c(O)c1 309881409 VOPOMPDLEIOSRJ-ONGXEEELSA-N 223.272 0.871 10 10 BCCE N#Cc1ccc(=NCc2ccc(N)cc2)[nH]n1 396988509 XDZCWDIOUCLZDC-UHFFFAOYSA-N 225.255 0.964 10 10 BCCE CCN(C(=O)Cc1ccc(N)cc1)C1CN(C)C1 1161136971 APYHOHCQSPLFBV-UHFFFAOYSA-N 247.342 0.974 10 10 BCCE Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2CN)c1O 1911370470 FLEIJMISUUCLPQ-GHMZBOCLSA-N 234.299 0.912 10 10 BCCE Cc1ccc(O)c(CN(C)[C@@H]2CC(=O)NC2=O)c1 2051514445 PNQQXCZGSAYYQI-SNVBAGLBSA-N 248.282 0.548 10 10 BCCE C[C@@H]1CN(c2cc3c(cc2N)OCCO3)CCN1 2071634046 YFUJBENZXPTRDN-SECBINFHSA-N 249.314 0.838 10 10 BCCE OCC1CN(CCc2ccc(O)c(O)c2)C1 2212688499 CUXCVQQOUKEURI-UHFFFAOYSA-N 223.272 0.564 10 10 BCCE COc1ccc(N2CC(CO)(CO)C2)c(C)c1 2214197768 VYUGOQKMBCBRHU-UHFFFAOYSA-N 237.299 0.795 10 10 BCCE N[C@@H]1[C@H]2C[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 2258330854 NDAWOGYRSYTITC-VROVMSAKSA-N 248.282 0.517 10 10 BCCE COCCNC(=O)[C@H](C)Oc1ccc(N)cc1 20388158 WSUFESLHIOBVQX-VIFPVBQESA-N 238.287 0.799 10 10 BCCE O=[N+]([O-])c1ccc([C@@H]2NCC[C@H]2O)c(O)c1 1952077703 OBMVPNCVHJJFLD-SCZZXKLOSA-N 224.216 0.696 10 10 BCCE Oc1cccc2c1[C@@H](C1CNC1)NCC2 83660009 DYXWCGBDBQGZIY-GFCCVEGCSA-N 204.273 0.798 10 10 BCCE CN1C[C@@H](N)C(=O)c2cc3c(cc21)OCO3 84780744 MNWLJHXUHDSYAZ-SSDOTTSWSA-N 220.228 0.375 10 10 BCCE NCc1ccc(N2CCCNCC2)cc1 84846325 KTRKWCGHCDQIEJ-UHFFFAOYSA-N 205.305 0.945 10 10 BCCE C[C@@H]1CC[C@H](C(N)=O)CN1CCN=[N+]=[N-] 42438707 TTWCDBLGZPESHQ-SFYZADRCSA-N 211.269 0.883 10 10 BCCE C[C@@H](NC[C@@H](O)C(N)=O)c1ccc(F)cc1O 228605017 FVULQESPYLQKAJ-LHLIQPBNSA-N 242.250 0.028 10 10 BCCE COc1ccc(O)c([C@@H]2CNCCN2C)c1 83352083 GWBNPXIVGDELRZ-NSHDSACASA-N 222.288 0.977 10 10 BCCE COC[C@H](N)[C@@H](N)c1cc(O)ccc1O 95843838 BTDHOMDEDFNBBP-WPRPVWTQSA-N 212.249 0.071 10 10 BCCE COC[C@H](N)[C@@H](N)c1ccc(C)cc1O 95844087 FSOWOBPSTMOCIM-ONGXEEELSA-N 210.277 0.674 10 10 BCCE C[C@@]1(N)Cc2cc(O)c(O)cc2OC1=O 238493975 AEBAJMZEEDXUSB-SNVBAGLBSA-N 209.201 0.277 10 10 BCCE CCN(CC(N)=O)Cc1cc(N)ccc1O 231815188 BDJNLDHSDYVIFG-UHFFFAOYSA-N 223.276 0.282 10 10 BCCE [N-]=[N+]=N[C@@H]1CC[C@H]2CCC(=O)N2C[C@H]1O 389461658 DOIOQHHGPOJGHX-XLPZGREQSA-N 210.237 0.811 10 10 BCCE CO[C@](N)(CN)c1cc(C)cc(C=O)c1O 687733034 RFCYBPWEGFSXOS-LLVKDONJSA-N 224.260 0.230 10 10 BCCE C[C@H](O)c1cnc(SC[C@H](O)CO)s1 1955421914 NTKPTUVQYUUXRI-NTSWFWBYSA-N 235.330 0.642 10 10 BCCE CC[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CO1 688442345 ZICZYWJFBXAALC-WPRPVWTQSA-N 241.295 0.699 10 10 BCCE O=C(NCC(=O)C1CC1)c1cccc(O)c1O 717205640 CHHOVLQJOYREKC-UHFFFAOYSA-N 235.239 0.807 10 10 BCCE C[C@H](CO)CNCc1cccc(O)c1O 83219885 QEMNBMKNSQZBRA-QMMMGPOBSA-N 211.261 0.816 10 10 BCCE [N-]=[N+]=NC1CCN(C[C@H]2CC(=O)N2)CC1 1912159929 OMDQOLKKYJQVPO-MRVPVSSYSA-N 209.253 0.650 10 10 BCCE CN1CC[C@@H](N2CC[C@@H](CN=[N+]=[N-])C2)C1=O 1912189983 XPYHPJXWVAMFFS-DTWKUNHWSA-N 223.280 0.849 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N1CCC(N=[N+]=[N-])CC1 1912192737 JPGHSIGKIPCSTQ-ZETCQYMHSA-N 239.279 0.812 10 10 BCCE Cc1nc(CN2CC[C@H](N=[N+]=[N-])C2)n[nH]1 1912144863 XYHSITVQCNXUGT-ZETCQYMHSA-N 207.241 0.998 10 10 BCCE CO[C@@H](C(=O)NCCN=[N+]=[N-])C1CCOCC1 1912207235 WFGLBWHGIJGQSL-SECBINFHSA-N 242.279 0.855 10 10 BCCE Cc1nnccc1C(=O)N1CC(N=[N+]=[N-])C1 1912200812 LTPDKONLCUHEEW-UHFFFAOYSA-N 218.220 0.920 10 10 BCCE CN(C)Cc1cc(S(N)(=O)=O)ccc1O 1536211979 GJYDKAXKFDNWPZ-UHFFFAOYSA-N 230.289 0.101 10 10 BCCE CN(C(=O)Cc1ccc(O)c(O)c1)C1CNC1 1940573732 JJIXBICSJZNSSR-UHFFFAOYSA-N 236.271 0.071 10 10 BCCE Cn1ncc([C@H](O)[C@@H](N)c2ccccc2O)n1 1943692294 XQRWIPJKDWOLBI-QWRGUYRKSA-N 234.259 0.254 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@@H](N)C[C@@H](O)C1 1962288143 RXHCIUDKEQLAOD-DTWKUNHWSA-N 213.285 0.471 10 10 BCCE N[C@H]1CC[C@H]1CNC(=O)c1ccc(O)c(O)c1 2005365929 MJJZEPPAUWKZQO-IUCAKERBSA-N 236.271 0.565 10 10 BCCE COc1cc2c(cc1OC)N(CC(N)=O)CC2 1970280464 IRGIUORFKZDILS-UHFFFAOYSA-N 236.271 0.552 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)[C@H]2C[C@H]2[C@H]2C[C@H]21 1979450315 SWLJTBNIXFUKOA-SYFWFRMHSA-N 222.248 0.996 10 10 BCCE C[C@H](O)[C@H]1CN(c2ccc(N)cc2)CCO1 1982062059 VZGASDDMAAWYDF-JOYOIKCWSA-N 222.288 0.855 10 10 BCCE Nc1ccc(CCOCc2nn[nH]n2)cc1 1983132344 PMXGNQJDSCFCFH-UHFFFAOYSA-N 219.248 0.541 10 10 BCCE CN(C[C@@]1(O)CCOC1)c1ccc(CN)cc1 2003640682 AJJFCFHHZOEQDO-ZDUSSCGKSA-N 236.315 0.733 10 10 BCCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(N)cc3)C[C@H]21 1993450002 GEYWIZANUYAHGB-URLYPYJESA-N 217.272 0.436 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@]2(C[C@H](O)CO2)C1 1993685066 MUEPDIJKDSWAKN-VHSXEESVSA-N 226.280 0.913 10 10 BCCE [N-]=[N+]=NCCCCN1CCOC[C@@]1(CN)CO 2006170610 NKYDYKXITVKZJG-SNVBAGLBSA-N 243.311 0.099 10 10 BCCE CO[C@H]1C[C@H](C(=O)NCCN=[N+]=[N-])C[C@H]1OC 2006319547 SMANDAFRQPKOEC-PSVAKVPMSA-N 242.279 0.853 10 10 BCCE CN(C)c1ccc([C@]2(O)CNCCOC2)cc1 1999509715 RCRFEQWCIPOZLH-ZDUSSCGKSA-N 236.315 0.560 10 10 BCCE O=C(N[C@@H]1C=CCNC1)c1ccc(O)c(O)c1 2000879792 MAMMUZDQDWFKHN-SECBINFHSA-N 234.255 0.356 10 10 BCCE C[C@]1(O)CCN(c2ccc(CO)cc2)C[C@@H]1O 2021053117 QPWMYIGNJHZMKY-STQMWFEESA-N 237.299 0.501 10 10 BCCE Oc1ccc(CN[C@@]23COC[C@H]2C3)c(O)c1O 717995441 HOAUQOPWBYAVNX-PELKAZGASA-N 237.255 0.682 10 10 BCCE C[C@H]1C[C@@H](N)CN1C(=O)COc1ccc(N)cc1 2071708435 YUILWMOFKLGFRM-GXSJLCMTSA-N 249.314 0.596 10 10 BCCE Nc1ccc(CCC(=O)NC2[C@H]3COC[C@H]23)cc1 2054310038 XNDDSMNVZWAHBI-RYUDHWBXSA-N 246.310 0.962 10 10 BCCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1 2062300182 YTSQMQHUYXBKCH-WVKUQDAKSA-N 248.326 0.323 10 10 BCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2CNC[C@H]21 2068555234 IQGSVWIULMSFDH-PSASIEDQSA-N 248.282 0.532 10 10 BCCE COC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2CNC[C@@H]21 2071716724 UOHQKOPZRGSXLQ-DOFRTFSJSA-N 247.298 0.685 10 10 BCCE N[C@@H]1CCc2cc(N3CC[C@@H]3[C@H](O)CO)ccc21 2258308548 KMYLXHMPLLGOQF-MGPQQGTHSA-N 248.326 0.565 10 10 BCCE C[C@H](CO)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 122552138 IZWGVWIEAZTFFT-PRHODGIISA-N 249.314 0.480 10 10 BCCE O=C1COC[C@@H](c2cc(F)cc(F)c2O)N1 309322401 OFGPJBGGTFDBLY-QMMMGPOBSA-N 229.182 0.858 10 10 BCCE O=C(NC[C@@H]1CCCN1)c1cccc(O)c1O 126664052 MFTPKJWHTBMMMI-QMMMGPOBSA-N 236.271 0.580 10 10 BCCE Nc1ccc(OC[C@H]2CNC(=O)O2)cc1 38055845 PQZMBRGIBPNBFQ-SECBINFHSA-N 208.217 0.756 10 10 BCCE O=C(N[C@@H]1CCOC1)c1ccc(O)c(O)c1 227041814 MJIXYNQAAVWECN-MRVPVSSYSA-N 223.228 0.617 10 10 BCCE COc1ccc(N(C)CC[C@H](O)CN)cc1 82915076 VBSQKYIUFLAVAZ-NSHDSACASA-N 224.304 0.841 10 10 BCCE NCc1ccc(N2CCCNC(=O)C2)cc1 83747694 BOLCLFPEFSZBNI-UHFFFAOYSA-N 219.288 0.472 10 10 BCCE COc1ccc(N2CCN[C@H](CO)C2)cc1 84496974 UNDHDJBHVGGVLM-JTQLQIEISA-N 222.288 0.466 10 10 BCCE [N-]=[N+]=N[C@@H]1CC2(C[C@H]1C(=O)O)OCCO2 238647811 YWDMRIGWMDEALV-PHDIDXHHSA-N 213.193 0.903 10 10 BCCE CC(C)(CO)[C@@H](N)c1ccc(O)c(O)c1O 95659956 BDGQDVHRTVOURC-JTQLQIEISA-N 227.260 0.822 10 10 BCCE CC(=O)NCCC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213585942 SOLXQJKQNNPSFL-BDAKNGLRSA-N 239.279 0.860 10 10 BCCE COC(=O)[C@H](N)Cc1c(F)ccc(O)c1O 260121875 LUICECLEZUOLSR-SSDOTTSWSA-N 229.207 0.280 10 10 BCCE CO[C@H](C(=O)OCC(=O)C(C)=O)C1CC1 808546265 GEWKSGXCKTYJAS-VIFPVBQESA-N 214.217 0.113 10 10 BCCE N[C@@H]1CCO[C@@H](c2cc(O)nc(O)c2)C1 1952375917 OGWCEDCYTYEAOL-HTQZYQBOSA-N 210.233 0.672 10 10 BCCE N[C@@]1(c2ccc(O)cc2O)C[C@@H]1C(=O)O 1952766226 WSHGJRPZVLNVNF-GMSGAONNSA-N 209.201 0.356 10 10 BCCE COC(=O)[C@@H]1CCN[C@@H]1c1cc(O)ccc1O 1952822779 CVLSGEVCSXGOSX-KCJUWKMLSA-N 237.255 0.921 10 10 BCCE O=C(N[C@H]1CC[C@H]1O)c1ccc(O)c(O)c1 1898093057 VJWIVMSSOYJPNE-JGVFFNPUSA-N 223.228 0.351 10 10 BCCE N[C@@H](c1nnc(C=O)o1)c1cc(O)ccc1O 83361757 BTZDUHGJHDNDBN-SECBINFHSA-N 235.199 0.341 10 10 BCCE CC(=O)NCC(=O)Nc1ccc(N)cc1 63063522 UYUGAXUKWADAQN-UHFFFAOYSA-N 207.233 0.343 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)Cn1cnnn1 2213590253 ZDBIKSDGOBVSKP-RQJHMYQMSA-N 236.239 0.021 10 10 BCCE CCNC(=O)NC(=O)[C@H](C)N(C)CCN=[N+]=[N-] 1912191273 PKIOLVCKCHPYDQ-ZETCQYMHSA-N 242.283 0.463 10 10 BCCE CN1[C@@H](CN2CC(N=[N+]=[N-])C2)CCS1(=O)=O 1912162769 ABAHZESHSVWYFE-MRVPVSSYSA-N 245.308 0.015 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2ccncn2)C1 1912169066 HMUOLCWQPAVYQH-UHFFFAOYSA-N 204.193 0.611 10 10 BCCE [N-]=[N+]=NCCCCN1CCN2C(=O)NC[C@@H]2C1 1912197382 SNMPKHCOJXUBOL-SECBINFHSA-N 238.295 0.786 10 10 BCCE Cn1nnc(C(=O)NCCN=[N+]=[N-])c1C(F)F 1912157648 SLXPUOOUGDICJQ-UHFFFAOYSA-N 245.193 0.793 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)C[C@H]2COC[C@H]21 1912172289 SKPKMXQYJRKXQI-QXFUBDJGSA-N 240.263 0.766 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1912203285 PKADUVCOJVAJNI-QMMMGPOBSA-N 220.236 0.863 10 10 BCCE O=C(Cn1cncn1)NCc1ccc(O)cc1O 1630302001 PBSGUEBWKASYCR-UHFFFAOYSA-N 248.242 0.006 10 10 BCCE Cc1ncc(C(=O)[C@H]2CCC(=O)C2=O)o1 1932573334 IGKYWDXEZKCBIQ-LURJTMIESA-N 207.185 0.714 10 10 BCCE C[C@@H]1C[C@@]1(CN)C(=O)NCc1ccccc1O 1951220139 QDLPROVTMIYQSZ-RNCFNFMXSA-N 234.299 0.993 10 10 BCCE CS(=O)(=O)C1([C@H](N)c2ccccc2O)CC1 1979974400 GCDHLGBPUWWYJZ-SNVBAGLBSA-N 241.312 0.969 10 10 BCCE [N-]=[N+]=NCCCCN1CCO[C@@H]2CNC[C@H]21 1982248984 AWCMRYQYLGHWCE-NXEZZACHSA-N 225.296 0.750 10 10 BCCE [N-]=[N+]=NCCCCN1CCC[C@@H]1[C@H](O)CO 1984650193 VBNLPJKUGCESKL-NXEZZACHSA-N 228.296 0.895 10 10 BCCE Oc1ccccc1CN=c1nnc(Cl)n[nH]1 1995349528 LTVISJDGQDILEB-UHFFFAOYSA-N 237.650 0.660 10 10 BCCE O=C1CN(CCc2ccc(O)c(O)c2)C(=O)N1 1995911816 CZBSLXPQQKEIAB-UHFFFAOYSA-N 236.227 0.192 10 10 BCCE Cc1cccc(O)c1CN[C@H]1CN(C)C[C@H]1O 1997967606 KINSENNJNVPNGE-WCQYABFASA-N 236.315 0.465 10 10 BCCE N[C@H]1CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1998331592 RVPDQXNRBMWKHS-IUCAKERBSA-N 236.271 0.246 10 10 BCCE CN(C)c1ccc([C@@]2(O)CCNC(=O)C2)cc1 1999511325 DOIAGQXQZQHFQW-CYBMUJFWSA-N 234.299 0.850 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H](F)CC2CNC2)C1 2008887649 IRHFZGFENSGZAT-SZEHBUNVSA-N 242.294 0.200 10 10 BCCE C[C@H]1CNC(=O)CN1CCc1ccc(N)cc1 2010568347 NLLGUOYXWRCMKG-JTQLQIEISA-N 233.315 0.632 10 10 BCCE CO[C@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2015126900 ZPFWTUWEUHSPTF-RCOVLWMOSA-N 239.227 0.321 10 10 BCCE Nc1ccc(CCC(=O)N[C@@H]2CNOC2)cc1 2016993315 ZQWLCYLFAGVKRE-LLVKDONJSA-N 235.287 0.221 10 10 BCCE Nc1ccc(CNC[C@@H]2CN3CCN2CC3)cc1 2031664887 LGTWAUPWVLBWCR-CQSZACIVSA-N 246.358 0.358 10 10 BCCE C[C@](CCCO)(NCCCN=[N+]=[N-])C(N)=O 309167032 ZBNZEAQSCBHZKL-SECBINFHSA-N 229.284 0.293 10 10 BCCE CC[C@H](NCc1ccc(O)c(O)c1)C(=O)NC 697917368 RCPYTEBXJMUBRO-VIFPVBQESA-N 238.287 0.712 10 10 BCCE Cn1cncc1CNC(=O)c1ccc(O)c(O)c1 388437983 BPDCILUCDAVYPN-UHFFFAOYSA-N 247.254 0.761 10 10 BCCE COc1ccc(O)c(CN2C[C@H]3C[C@]3(N)C2)c1 1236018285 UVZSONOBSRGNML-MFKMUULPSA-N 234.299 0.934 10 10 BCCE CN=c1cc[nH]c(=NCCc2ccc(N)cc2)[nH]1 2061446419 NXEHJTIGYWDXKB-UHFFFAOYSA-N 243.314 0.599 10 10 BCCE CNCc1cc(OC)ccc1N1CC(O)C1 2211284731 FMQIQMMDTVPSCZ-UHFFFAOYSA-N 222.288 0.596 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cnn[nH]1 2210539879 VOIVTDBYVNLTOV-WDSKDSINSA-N 221.224 0.766 10 10 BCCE CCC(CO)(CO)C(=O)N(C)CCN=[N+]=[N-] 2242670011 ZMZFVQZMGHGSQJ-UHFFFAOYSA-N 230.268 0.136 10 10 BCCE Cc1cc(N2CC(NC(N)=O)C2)ccc1[C@@H](C)N 2257468531 PMZTVLZZOCWXSR-SECBINFHSA-N 248.330 0.872 10 10 BCCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1 2249563935 QFRWKIMOBAHLQV-JIMOISOXSA-N 236.315 0.638 10 10 BCCE Oc1ccccc1CNCC[C@H]1CNCCO1 2304225188 BPUWBRPCFBAAHG-LBPRGKRZSA-N 236.315 0.860 10 10 BCCE 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0.678 10 10 BCCE NC(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1O 2072148703 HFFVTLXCHRLJKY-MNOVXSKESA-N 247.298 0.729 10 10 BCCE COc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1C 2214291751 MZUCLXBAVZVWPW-ZYHUDNBSSA-N 237.299 0.793 10 10 BCCE COc1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2246340498 VODDPEPMPIBWAJ-SNVBAGLBSA-N 234.255 0.547 10 10 BCCE CC(CO)(CO)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2246459276 HZOJYWPZVRTFPN-QMMMGPOBSA-N 242.279 0.136 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CN(C)CCO1 2300530855 XLPWHEAIRPBPCT-VIFPVBQESA-N 241.295 0.476 10 10 BCCE Nc1ccc(CC(=O)NCc2cc[nH]n2)cc1 41013623 LBOPQEWLCRRKAM-UHFFFAOYSA-N 230.271 0.851 10 10 BCCE COc1ccc([C@@H](C)NCc2nnn[nH]2)c(O)c1 44928133 MKZVEGQSDNCRED-SSDOTTSWSA-N 249.274 0.765 10 10 BCCE COc1ccc(N(C)CC[C@H](N)C(=O)O)cc1 62528547 XLKYHTRAULHDQS-NSHDSACASA-N 238.287 0.933 10 10 BCCE Nc1ccc(CCN2C(=O)C=CC2=O)cc1 63130068 ZTGLKHCHDPXSMJ-UHFFFAOYSA-N 216.240 0.736 10 10 BCCE CCN1CCNC[C@H]1c1ccc(O)c(O)c1O 83365966 AGMUMHOGJBDJBJ-VIFPVBQESA-N 238.287 0.770 10 10 BCCE CCOc1cccc(CNC[C@H](O)CO)c1O 83369254 GDERUBCBSDBKNU-JTQLQIEISA-N 241.287 0.234 10 10 BCCE COC(=O)C[C@@H](N)c1cc(OC)ccc1O 95638009 XODAKWDPMBJTNF-SECBINFHSA-N 225.244 0.964 10 10 BCCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCN1C 156575379 LXCPJWBVXUQHGM-SCZZXKLOSA-N 240.311 0.225 10 10 BCCE NC(=O)[C@@H](c1ccccc1O)N1CCCNCC1 166110512 IHIFPNUJIBXCHS-GFCCVEGCSA-N 249.314 0.214 10 10 BCCE NCc1cc(N2CCOCC2)ccc1O 257965658 BZYWJXTZGYLNRE-UHFFFAOYSA-N 208.261 0.688 10 10 BCCE NC[C@@H](C(=O)O)c1c(O)c(O)cc(O)c1Cl 258458189 VYLYFWXXTBFYPV-GSVOUGTGSA-N 247.634 0.584 10 10 BCCE Cc1n[nH]c(=O)c2nn(-c3ccc(N)cc3)cc12 259565379 VRYGQSQHULUJKV-UHFFFAOYSA-N 241.254 0.999 10 10 BCCE CN1C[C@H](c2cccc(O)c2O)[C@H](CN)C1 382740177 ZEZKNRPVTGYGIH-SCZZXKLOSA-N 222.288 0.702 10 10 BCCE Cn1[nH]c(CNCc2cccc(O)c2O)cc1=O 391403738 IAYQLZMVRYKDAG-UHFFFAOYSA-N 249.270 0.414 10 10 BCCE CCN(C[C@@H](C)O)C(=O)c1ccc(O)c(O)c1 691471289 LRXXQFIXJGBTJG-MRVPVSSYSA-N 239.271 0.941 10 10 BCCE Cn1cc(C[C@@H](O)CCc2ccc(N)cc2)nn1 695848227 FTBBMVUBNMGHDF-ZDUSSCGKSA-N 246.314 0.934 10 10 BCCE CCCn1c(O)nnc1SCC(=O)C(C)=O 808013546 HANGECBXBMUFOG-UHFFFAOYSA-N 243.288 0.644 10 10 BCCE COC[C@@](C)(O)c1cn(-c2ccc(N)cc2)nn1 849134562 HCQWWAVZPMXBIN-GFCCVEGCSA-N 248.286 0.703 10 10 BCCE O=C(NCc1cccc(O)c1O)c1ncccn1 1303194501 FLDOOFYLFQSJJU-UHFFFAOYSA-N 245.238 0.818 10 10 BCCE Cn1ncc(C(=O)NCc2cc(O)ccc2O)n1 1633599146 QAZHBVJDHOTXIG-UHFFFAOYSA-N 248.242 0.156 10 10 BCCE O=C(NCc1c(O)cccc1O)[C@H]1CCOC1 1652622754 HSIBPCBPXIDPIL-QMMMGPOBSA-N 237.255 0.751 10 10 BCCE [N-]=[N+]=NC1CN(CCn2ccccc2=O)C1 1912152920 BXVSDNWBRFLDKE-UHFFFAOYSA-N 219.248 0.843 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2cnc(O)[nH]2)C1 1912167960 ABFCPXQPKGWVGK-UHFFFAOYSA-N 208.181 0.250 10 10 BCCE [N-]=[N+]=NC1CN(C[C@@H]2C[C@@H](CO)CO2)C1 1934441969 QRFCUHWLBGJAES-CBAPKCEASA-N 212.253 0.378 10 10 BCCE CO[C@@H]1C[C@@]2(C(=O)NCCN=[N+]=[N-])C[C@@H]12 1935498795 COCFEKVLUDVROU-OOZYFLPDSA-N 210.237 0.838 10 10 BCCE NN[C@H](Cn1cccn1)c1ccccc1O 1936968178 OGQQZQZYXQZHLV-SNVBAGLBSA-N 218.260 0.793 10 10 BCCE Cc1n[nH]c(=NCCOc2ccc(N)cc2)o1 1945141584 GIHYVLQOAIPYOU-UHFFFAOYSA-N 234.259 0.873 10 10 BCCE O=c1c2c(ccn1C[C@H]1CCCO1)CCNC2 1945578812 JYAXPWRLLRRIIL-LLVKDONJSA-N 234.299 0.673 10 10 BCCE Oc1cc(O)c([C@@H]2COCCCN2)c(O)c1 1952306829 RCFXQIDDUGBBTH-QMMMGPOBSA-N 225.244 0.854 10 10 BCCE N[C@]1(c2c(O)cccc2F)C[C@@H]1C(=O)O 1952772820 PSVHZKCADOVTEB-GPXNAGAYSA-N 211.192 0.790 10 10 BCCE CO[C@H](CO)CNCc1cccc(C)c1O 1964586233 BVMOEHHCPRHMPI-NSHDSACASA-N 225.288 0.798 10 10 BCCE CN(C)c1ccc(CNCC(=N)NO)cc1 1976752703 ALCWBMJAYULSJD-UHFFFAOYSA-N 222.292 0.798 10 10 BCCE Cc1nc([C@@H](N)c2ccccc2O)nn1C 1988861416 QNQBBCZAUSXOFN-JTQLQIEISA-N 218.260 0.877 10 10 BCCE Cc1ccc(CN[C@H](CO)[C@@H](C)O)c(O)c1 1994457951 KYJKMSUZKZRHMV-MWLCHTKSSA-N 225.288 0.532 10 10 BCCE Nc1ccc(N2CC3(C2)OCCC[C@@H]3O)cc1 1997300388 DTVCCAARUIOEMC-LBPRGKRZSA-N 234.299 0.999 10 10 BCCE CNCC[C@@H](C)NC(=O)c1cc(O)nc(O)c1 2002728331 VUFUXFDTAZLQKO-SSDOTTSWSA-N 239.275 0.221 10 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249.314 0.501 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@@]1(C)CNC(=O)C1 2300532706 ZWAAILAECFQFCN-SNVBAGLBSA-N 239.279 0.671 10 10 BCCE Nc1ccc(CN2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2311412415 KYMCDQKPFVSLHB-YXCITZCRSA-N 248.326 0.585 10 10 BCCE CC(C)(O)[C@H](N)Cc1cc(O)c(O)c(O)c1 1951663140 CQKYIXYFNWYGGE-SECBINFHSA-N 227.260 0.444 10 10 BCCE C/C(N)=C/C1=NC(=O)/C(=C/C(=O)O)S1 308386715 FAGIBNHSCYCBHG-JVLMNHKTSA-N 212.230 0.489 10 10 BCCE O=C1CN[C@@H](c2cccc(Cl)c2O)CN1 1951853091 GNPBXVUAABQCOP-MRVPVSSYSA-N 226.663 0.806 10 10 BCCE COc1ccc(N2CCN(C(C)=O)CC2)c(N)c1 213358921 LCSISSVUWZJFKY-UHFFFAOYSA-N 249.314 0.946 10 10 BCCE NS(=O)(=O)Nc1ccc(O)c(F)c1 128766055 AIUCFWZSAOLTGY-UHFFFAOYSA-N 206.198 0.147 10 10 BCCE COc1cccc2nnc(CC(=O)O)nc12 212603989 FSMNRXQKTYIOCK-UHFFFAOYSA-N 219.200 0.661 10 10 BCCE OC[C@@H]1CN(Cc2ccccc2O)CCO1 134548979 HQMWPJHSPAETIH-NSHDSACASA-N 223.272 0.585 10 10 BCCE Cc1cc(C)n(CC(=O)NCCN=[N+]=[N-])n1 42012673 YURUHKADDOCENT-UHFFFAOYSA-N 222.252 0.926 10 10 BCCE [N-]=[N+]=NCC[C@@H](C(=O)O)S(=O)(=O)O 198656695 ITMVOGRHJQDQJE-VKHMYHEASA-N 209.183 0.028 10 10 BCCE CC(C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457765 POGFIRGEIXDWCG-VIFPVBQESA-N 238.287 0.492 10 10 BCCE CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](O)[C@H]1OC 199453670 WWXHEJASFWWQFA-CBQIKETKSA-N 217.225 0.432 10 10 BCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CNC1 91415286 FQBBNNNIPYPZHC-UHFFFAOYSA-N 247.342 0.930 10 10 BCCE Oc1cccc(CNC[C@H](O)C(F)F)c1O 236516506 FESMCMHLOXTYAP-QMMMGPOBSA-N 233.214 0.813 10 10 BCCE O=C1CC[C@@H](c2cccc(CO)c2O)N1 238694978 YEBJNDPBOQQJNC-VIFPVBQESA-N 207.229 0.836 10 10 BCCE CCc1ccc(O)c([C@@H](N)CS(C)(=O)=O)c1 95770279 GCCJRNFAZCXOHN-JTQLQIEISA-N 243.328 0.999 10 10 BCCE CCOC(=O)[C@@H](N)c1ccc(C)c(O)c1O 259992103 IEKUPDGOALASPN-QMMMGPOBSA-N 225.244 0.969 10 10 BCCE NCc1nc(-c2ccc(O)c(O)c2F)no1 258378269 IMDPKMMBVBFFCE-UHFFFAOYSA-N 225.179 0.746 10 10 BCCE Cc1cc2c(cc1N(C)CNN)OCO2 259010307 GAONJFVNUZZDKV-UHFFFAOYSA-N 209.249 0.581 10 10 BCCE COC(=O)c1c(O)csc1CC(=O)O 261138670 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10 10 BCCE COc1cc(C(=O)C(=O)O)cc(O)c1O 1535814836 NNUZCVZZKRVYSP-UHFFFAOYSA-N 212.157 0.374 10 10 BCCE CNC[C@@](O)(C(=O)C(C)=O)C(C)(C)C 1929982003 FLFGABKSSWHBMP-SNVBAGLBSA-N 201.266 0.141 10 10 BCCE C[C@H](O)CNC(=O)[C@@H](C)Oc1ccc(N)cc1 1860080693 MSYDVTPQXQDOPG-DTWKUNHWSA-N 238.287 0.533 10 10 BCCE C[C@@H](CN)N(C)c1ccc2c(c1)NC(=O)CO2 260311359 ZIXXLPHFKDEGPS-QMMMGPOBSA-N 235.287 0.801 10 10 BCCE COC[C@@H](CN)NCCc1ccc(O)c(O)c1 1943640647 XAJWILXXBNPBCQ-SNVBAGLBSA-N 240.303 0.204 10 10 BCCE COc1nn(C)cc1C(=O)NCCCN=[N+]=[N-] 2002560627 AFCLZUWETAUVHV-UHFFFAOYSA-N 238.251 0.859 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@@]12COC[C@@H]1C2(F)F 1977398338 XJYVDVQQVDOABA-CAHLUQPWSA-N 232.190 0.695 10 10 BCCE CON(Cc1cc(F)ccc1O)C1CNC1 1980550940 AONAXITYUVZLCA-UHFFFAOYSA-N 226.251 0.867 10 10 BCCE Cc1cccc(O)c1CN[C@H]1CC(=O)NC1=O 1997964254 WQXCTXKCUODVTB-VIFPVBQESA-N 234.255 0.205 10 10 BCCE CN1C[C@H](O)[C@@H](NCc2ccc(F)cc2O)C1 2024901099 CNDWXOXFRKGJLT-JQWIXIFHSA-N 240.278 0.296 10 10 BCCE 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COc1ccc(N(C)[C@H](C)C(N)=O)c(N)c1 711100703 CSERXIZCKJJZOC-SSDOTTSWSA-N 223.276 0.587 10 10 BCCE CCN[C@H]1CCN(CCOC)[C@H]1CN=[N+]=[N-] 712227781 IBVANZYSTIFUOF-UWVGGRQHSA-N 227.312 0.996 10 10 BCCE Nc1ccc(OCC(=O)N[C@]23COC[C@@H]2C3)cc1 718050094 PJQICNGLQXGXRU-TVQRCGJNSA-N 248.282 0.553 10 10 BCCE COCCCS(=O)(=O)CCN=[N+]=[N-] 82630013 YFQLCHBDHPPRPE-UHFFFAOYSA-N 207.255 0.748 10 10 BCCE CCc1cccc(CNCC(N)=O)c1O 691459684 MDZCGMBPPTVYSS-UHFFFAOYSA-N 208.261 0.530 10 10 BCCE [N-]=[N+]=NC1CCN(C[C@@H]2CNC(=O)C2)CC1 1912171663 OAVSECYKGAZLIN-QMMMGPOBSA-N 223.280 0.897 10 10 BCCE CN(c1ccc2c(c1)OCCO2)C(CO)CO 258800401 TUUYBQCDYLTXFT-UHFFFAOYSA-N 239.271 0.247 10 10 BCCE COC[C@@H](O)CNCc1ccc(N)cc1 1929712313 GERZVABAQWZUSV-NSHDSACASA-N 210.277 0.366 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1cc(O)ncn1 1960417598 XLDYAEXADJLQGH-UHFFFAOYSA-N 208.181 0.222 10 10 BCCE CC[C@H](CN)NC(=O)c1cccc(O)c1O 163286409 OEGLFORRUZDZRR-SSDOTTSWSA-N 224.260 0.565 10 10 BCCE C[C@@H](N)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1940567521 YVSDOIYRKIELIB-HTQZYQBOSA-N 238.287 0.492 10 10 BCCE COC[C@H](OC)[C@H](NN)c1ccccc1O 1936973718 HSUPWZJOLYFKEF-WDEREUQCSA-N 226.276 0.558 10 10 BCCE Cn1nncc1[C@@H](O)[C@@H](N)c1ccccc1O 1943691981 VWWGBRCDKSENTR-WDEREUQCSA-N 234.259 0.254 10 10 BCCE CN1CC2(C1)CN(Cc1cc(N)ccc1O)C2 1946916978 IONMZPFXYDWCEZ-UHFFFAOYSA-N 233.315 0.722 10 10 BCCE CN1CCc2cc([C@H]3CNCCN3)ccc21 1977938935 MLWUBIWGHVNJQN-GFCCVEGCSA-N 217.316 0.913 10 10 BCCE C[C@H]1CN[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980372267 ZCYBFOOAJNWASH-KYXWUPHJSA-N 224.304 0.250 10 10 BCCE CN(Cc1ccccc1O)C1(C(=O)O)COC1 2005239812 ZGMXJYGJQHZUBD-UHFFFAOYSA-N 237.255 0.678 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@]2(C[C@H](O)CO2)C1 1993685065 MUEPDIJKDSWAKN-UWVGGRQHSA-N 226.280 0.913 10 10 BCCE Nc1ccc(CN2C(=O)CCNC2=O)cc1 1995068971 IFTPEKVYXRGDPE-UHFFFAOYSA-N 219.244 0.711 10 10 BCCE O=C1C[C@@H](NCc2ccc(O)c(O)c2)CCN1 2013426604 FZMJOXLYVDCSKI-VIFPVBQESA-N 236.271 0.466 10 10 BCCE C[C@@H](CO)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2014913162 UEGBTZQZAOJLSL-QMMMGPOBSA-N 240.259 0.904 10 10 BCCE COc1ccc(N(CCN)CCO)c(F)c1F 2023389118 WOHSWIHJSYCMQQ-UHFFFAOYSA-N 246.257 0.731 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1csnn1 309251811 NHAAVXHXRSJJED-LURJTMIESA-N 242.264 0.954 10 10 BCCE CN(CCn1cnnc1)c1ccc(CN)cc1 707619042 ZDRAMPXCDPKLFN-UHFFFAOYSA-N 231.303 0.873 10 10 BCCE Cn1nnnc1CN[C@H]1CCc2cccc(O)c21 389336865 XWOJJLMMUNVZSQ-VIFPVBQESA-N 245.286 0.693 10 10 BCCE CN(C)C[C@@H](CO)NCc1ccc(O)c(O)c1 716760175 HIPILKKMTIFODZ-JTQLQIEISA-N 240.303 0.110 10 10 BCCE CN(Cc1cc(N)ccc1O)[C@H]1CCC(=O)NC1 2063565717 WOUTXBSXJQMIKX-NSHDSACASA-N 249.314 0.685 10 10 BCCE O[C@@H]1CCc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2068413533 KBKWHUMJEQHLPS-MGPQQGTHSA-N 249.310 0.598 10 10 BCCE CN(C)C(=O)[C@@H]1CNCCN1c1ccc(N)cc1 2071575549 BGUCIHKNLGJQKA-LBPRGKRZSA-N 248.330 0.135 10 10 BCCE N=c1nnc(Nc2ccc(CCF)cc2)n[nH]1 2213782878 JKLOAPSHWJUJMD-UHFFFAOYSA-N 234.238 0.935 10 10 BCCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(N)=O 2256400924 XMBNAAWAULNRCX-UWVGGRQHSA-N 248.282 0.472 10 10 BCCE C[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)cc1 2299953364 QVRSGPGRMXTHGO-NOZJJQNGSA-N 236.315 0.496 10 10 BCCE CN1CCN(C(=O)NCCCN=[N+]=[N-])CC1=O 2303719304 KUWLTOYJMBRTEK-UHFFFAOYSA-N 240.267 0.170 10 10 BCCE O=C1COC[C@H](c2cc(F)cc(F)c2O)N1 309322400 OFGPJBGGTFDBLY-MRVPVSSYSA-N 229.182 0.858 10 10 BCCE Nc1ccc(CC(=O)N2CCCN2)cc1 238110106 JVXYMAJGLLFKIF-UHFFFAOYSA-N 205.261 0.548 10 10 BCCE CCOc1ccc(N(C)C[C@@H](O)CN)cc1 77337120 LSDSQFXWRRFJAD-NSHDSACASA-N 224.304 0.841 10 10 BCCE O=C(NCCc1cnc[nH]1)c1cccc(O)c1O 126452967 IYOSGMUDPQRZSR-UHFFFAOYSA-N 247.254 0.793 10 10 BCCE C[C@@]1(c2cc(O)c(O)c(O)c2)CC(=O)N1 1951861681 XKLORMCJAVIYNK-JTQLQIEISA-N 209.201 0.539 10 10 BCCE C[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H](C)O1 384918878 QWUSUBAMUWJHDO-BHNWBGBOSA-N 227.268 0.308 10 10 BCCE COC1=C[C@H](O)[C@H](OC)O[C@@H]1CN=[N+]=[N-] 238350570 YSEXJAVSKRMHDJ-UIISKDMLSA-N 215.209 0.559 10 10 BCCE CN[C@H](CO)c1cc(CCN)ccc1O 238359780 LPOKMJBEIOPUMM-SNVBAGLBSA-N 210.277 0.146 10 10 BCCE CC1(C)O[C@@H]2O[C@@H](CN=[N+]=[N-])C(=O)[C@H]2O1 379702497 PKVOOEDBHLWNDZ-JHYUDYDFSA-N 213.193 0.742 10 10 BCCE N[C@@]1(CO)CCOc2cc(O)cc(O)c21 713740173 AUAHWKVYRHFCQW-SNVBAGLBSA-N 211.217 0.027 10 10 BCCE COC[C@H](O)[C@@H](N)c1c(C)ccc(F)c1O 713878715 TZQQNZMHBSTCLI-WCBMZHEXSA-N 229.251 0.847 10 10 BCCE CCn1nnnc1CN(C)c1ccc(N)cc1 697962979 MPOHKOJMQNRKEJ-UHFFFAOYSA-N 232.291 0.912 10 10 BCCE COc1cccc(O)c1CN1C[C@@H]2C[C@@]2(O)C1 895651320 ZVCNRAVMSXOBBP-TVQRCGJNSA-N 235.283 0.967 10 10 BCCE C=CC(=O)NCCOc1ccc(N)cc1 63130378 FIALLZHWUQLCCJ-UHFFFAOYSA-N 206.245 0.950 10 10 BCCE CN(C)C[C@@H](CO)NCc1cc(F)ccc1O 716779992 RINNMOFKYRVMKY-NSHDSACASA-N 242.294 0.543 10 10 BCCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1 698212825 BGDMFBGVTILMQA-ICCXJUOJSA-N 236.315 0.638 10 10 BCCE CO[C@@H](CN)[C@H](O)c1ccc(N(C)C)cc1 1904840652 JVYCNLYMSBLTAW-NWDGAFQWSA-N 224.304 0.760 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)C[C@@H]2COC[C@H]21 1912160598 YGOJGPJILCYUKP-NQMVMOMDSA-N 239.279 0.167 10 10 BCCE CC[C@@H]1CCOCC[C@@]1(O)C(=O)C(C)=O 1960268569 HUQOYJKWHUCAPY-KOLCDFICSA-N 214.261 0.712 10 10 BCCE CCCCN/N=N/c1[nH]cnc1C(N)=O 17157934 OPJQRGVUQOTCSJ-UHFFFAOYSA-N 210.241 0.897 10 10 BCCE CC(CO)(CO)CNCc1c(O)cccc1F 1964569075 BZZCWGHWDNFBIG-UHFFFAOYSA-N 243.278 0.612 10 10 BCCE CO[C@H](CCO)CNCc1ccc(O)cc1O 2002972518 VODILNUMQZUHDZ-LLVKDONJSA-N 241.287 0.585 10 10 BCCE CN=c1[nH]nc(-c2cc(O)c(O)c(O)c2)s1 1988130730 MNUBUKMNBGLAEP-UHFFFAOYSA-N 239.256 0.786 10 10 BCCE CC1(NCc2ccc(O)c(O)c2O)COC1 1988272482 JUKFNXOJHOFTNW-UHFFFAOYSA-N 225.244 0.682 10 10 BCCE CN(CCN)c1cc2c(cc1N)OCCO2 1989340529 YWEPMWDRHMASQL-UHFFFAOYSA-N 223.276 0.435 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3CNC[C@@H]32)C1 2006006570 GPARPWOJHOHPPD-MFDAYCCISA-N 236.315 0.108 10 10 BCCE COCc1noc(-c2cc(O)c(O)c(O)c2)n1 2015118972 FWKCXMZHQLDRRR-UHFFFAOYSA-N 238.199 1.000 10 10 BCCE Nc1ccc(CN2CCC[C@@H]2[C@@H](O)CO)cc1 2009638980 WMSOQLHPMZYWBR-OLZOCXBDSA-N 236.315 0.586 10 10 BCCE O=C(N[C@@H]1CC[C@@H]1O)c1cc(O)c(O)c(O)c1 2015075273 PQIMDPKHFJHTND-RQJHMYQMSA-N 239.227 0.057 10 10 BCCE Oc1cc(F)ccc1CNCCc1nnc[nH]1 293767051 ZOLDKTXEAJYTLZ-UHFFFAOYSA-N 236.250 0.982 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@]2(CO)C1 2029638947 PIYZILDRYKGAAV-TVQRCGJNSA-N 249.266 0.552 10 10 BCCE COc1ccc(N2CC[C@@H](C)[C@@H]2C(N)=O)c(N)c1 2029786778 MITIXKWPXIIGTO-PRHODGIISA-N 249.314 0.978 10 10 BCCE CN1CCO[C@H]2CN(c3ccc(CO)cc3)C[C@@H]21 2036449237 ASPWXNSDQAIVOK-KBPBESRZSA-N 248.326 0.698 10 10 BCCE C[C@H](NCc1ccc(O)cc1O)[C@@H](C)O 309048818 PRGUCPSPGJNKPA-JGVFFNPUSA-N 211.261 0.957 10 10 BCCE CC[C@H](N)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 386717282 RAWVYWMLPWUNAA-APPZFPTMSA-N 238.287 0.953 10 10 BCCE Cc1nc(CNCc2ccc(O)c(O)c2)n[nH]1 392494024 YWDIZRWYMBWBAV-UHFFFAOYSA-N 234.259 0.814 10 10 BCCE NC[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(N)cc1 1909604199 DYWFJAGVFXQUTG-DTWKUNHWSA-N 234.303 0.985 10 10 BCCE NC[C@@H]1CC[C@@H]1Nc1c(N)cccc1C(N)=O 1909615326 BRAVNVMBNZNLHM-XVKPBYJWSA-N 234.303 0.517 10 10 BCCE NCc1nnc2n1CCN(c1ccc(N)cc1)C2 2083077405 WLWOJCGLHFDQOP-UHFFFAOYSA-N 244.302 0.339 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)/C=C\C(=O)O)C1 2210534656 JEBVUGXWVVSQPK-XRHZSYRXSA-N 224.220 0.786 10 10 BCCE CN(C)c1ccc(O[C@H]2COC[C@H]2O)cc1 2211925659 RMSDHJYBRHNERN-NEPJUHHUSA-N 223.272 0.891 10 10 BCCE CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213583538 TTZZLIUFYAOWRG-VDAHYXPESA-N 239.279 0.859 10 10 BCCE OC[C@@H]1CN(c2ccc3c(c2)CCO3)CCO1 2214195682 DZTFYTCQYBOHLJ-LBPRGKRZSA-N 235.283 0.819 10 10 BCCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)CCC3)C1 2219574752 JJKGLQRAWHTKSJ-AWEZNQCLSA-N 246.310 0.602 10 10 BCCE CN1CCc2cc(N3CC(O)(CCO)C3)ccc21 2258273515 SRTHFRNBFDTUAK-UHFFFAOYSA-N 248.326 0.612 10 10 BCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)c(CN)c1 2258358046 AJKMVCCDOZBJQU-YABSGUDNSA-N 248.326 0.971 10 10 BCCE NCCC(=O)N1CCc2cc(O)c(O)cc2C1 2302375913 TWPMJLKTXHMBSK-UHFFFAOYSA-N 236.271 0.331 10 10 BCCE O=C(NC[C@H]1[C@@H]2CCO[C@@H]21)c1cccc(O)c1O 2309874848 RVCQLXLZMKAYBL-DXBFQKDVSA-N 249.266 0.863 10 10 BCCE CN1CC[C@H](NCc2ccc3c(c2)CCO3)C1=O 227224738 ANGNNRSEGUXNRS-LBPRGKRZSA-N 246.310 0.942 10 10 BCCE N[C@H]1CCN[C@H](c2ccc(O)c(O)c2)C1 107149644 GJQJVZWLQQKUMW-IUCAKERBSA-N 208.261 0.850 10 10 BCCE C[C@H](OCc1ccc(N)cc1)C(=O)NC(N)=O 20391038 MFNVFANAUPCCLX-ZETCQYMHSA-N 237.259 0.369 10 10 BCCE Cc1cc(C(=O)O)cc([C@H](N)CN)c1O 72200747 YWTPEFPVVDLUDN-MRVPVSSYSA-N 210.233 0.357 10 10 BCCE NC1([C@H](O)c2ccc(O)c(O)c2O)CCC1 1951954546 KJDXJVQINJJTFR-SNVBAGLBSA-N 225.244 0.718 10 10 BCCE O=[N+]([O-])c1ccc(O)c([C@@H]2C[C@@H](O)CN2)c1 1952079001 GSRFVAVOFWZLAB-APPZFPTMSA-N 224.216 0.696 10 10 BCCE CN1C(=O)CNC[C@H]1c1cc(F)ccc1O 1952078527 ZTNBJCITQBIABM-VIFPVBQESA-N 224.235 0.634 10 10 BCCE COC[C@H](O)CN(C)c1ccc(CN)c(F)c1 135224632 DGTMGOIMBZXZHL-LLVKDONJSA-N 242.294 0.728 10 10 BCCE Nc1ccc(OCS(=O)(=O)O)cc1 146591532 SGCLNCOCOMWZIV-UHFFFAOYSA-N 203.219 0.493 10 10 BCCE CC(C)[C@H](NC(=O)[C@@H](C)N=[N+]=[N-])C(N)=O 144928724 TVFWVWWQVOODRW-RITPCOANSA-N 213.241 0.311 10 10 BCCE Cc1cc([C@H](O)C(=O)O)c(F)c(O)c1O 258245700 SIVTYAHVDYPXML-ZETCQYMHSA-N 216.164 0.663 10 10 BCCE COC(=O)[C@H](N)c1cc(OC)c(F)cc1O 260589152 ZZQOGFJRDIRFBJ-SECBINFHSA-N 229.207 0.713 10 10 BCCE OCc1ccc(N2C[C@@H](F)[C@H](CO)C2)cc1 1895516918 OSNYRIXKYKAJJZ-CMPLNLGQSA-N 225.263 0.946 10 10 BCCE CCCO[C@H]1CS(=O)(=O)C[C@@H]1N=[N+]=[N-] 696583572 YOXXODLAKJDSBV-BQBZGAKWSA-N 219.266 0.889 10 10 BCCE COc1ccc(N2CC(=O)N[C@H](C)C2)cc1N 84531832 NLWDVADWJMTMQW-MRVPVSSYSA-N 235.287 0.602 10 10 BCCE Cn1cc(C(=O)NCCCN=[N+]=[N-])nn1 393785370 CQFNWQADGBLRLH-UHFFFAOYSA-N 209.213 0.245 10 10 BCCE CN(C)c1ccc([C@@H](O)c2ncn(C)n2)cc1 714710465 WSNBREDGRNNKFZ-LLVKDONJSA-N 232.287 0.963 10 10 BCCE N[C@@H](CCC(=O)O)c1c(O)ccc2c1OCO2 213060400 WJUWDGCLEDHBKA-LURJTMIESA-N 239.227 0.986 10 10 BCCE [N-]=[N+]=NC1CN(C[C@@H]2CCS(=O)(=O)C2)C1 1912167438 KTOCKKLUUYZDSW-ZETCQYMHSA-N 230.293 0.416 10 10 BCCE Nc1ccc(O)c(CN2C[C@@H](O)CO2)c1 1961655606 XMSJNBGBPHKVFT-SECBINFHSA-N 210.233 0.083 10 10 BCCE CC[C@H](CN)NC(=O)Cc1ccc(O)c(O)c1 1940574127 OBZHLULVWDCXNI-SECBINFHSA-N 238.287 0.494 10 10 BCCE Cc1nc([C@@H](O)Cc2ccc(N)cc2)nn1C 1943121989 RBHBVRCZWQESHT-NSHDSACASA-N 232.287 0.982 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1CCn2ncnc2C1 1963704238 MKHXLRWCKNLEKI-MRVPVSSYSA-N 249.278 0.657 10 10 BCCE CN(Cc1ccccc1O)C[C@H]1COCCN1 1964653303 LXMNAMRTXXAKRS-LBPRGKRZSA-N 236.315 0.812 10 10 BCCE COc1ccc(O)c(CN(O)CC(=O)O)c1 1993350156 NOCNWYBVVKLEFU-UHFFFAOYSA-N 227.216 0.677 10 10 BCCE NC1[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 2000278367 AWZJTMTWVBNATE-HTQZYQBOSA-N 234.255 0.127 10 10 BCCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]1CF 2015118881 DYMUHOGAUUMPJS-SSDOTTSWSA-N 241.218 0.987 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCOC[C@@H]1F 2013770458 RUEOVKVCCUOQAO-IONNQARKSA-N 246.242 0.858 10 10 BCCE CNCc1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1 2014962823 VKFQHPLWLRZVSG-CHWSQXEVSA-N 236.315 0.338 10 10 BCCE CC(C)(CN)NC(=O)COc1ccc(N)cc1 2016990581 FCYQBBSEKAROCZ-UHFFFAOYSA-N 237.303 0.501 10 10 BCCE Cc1ccc(CN2C[C@@H](O)C[C@@H]2CN)c(O)c1 2024814559 KDGRAAQNMGXEGB-NEPJUHHUSA-N 236.315 0.595 10 10 BCCE C[C@](O)(CCO)CNCc1ccc(F)cc1O 2024890061 KEZUSTPQZKQYOS-LBPRGKRZSA-N 243.278 0.754 10 10 BCCE CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 383139253 XBSPVCQJAVHIIQ-SSDOTTSWSA-N 238.243 0.092 10 10 BCCE C[C@@H]1CN(Cc2cc(N)ccc2O)CC(=O)N1 386968274 AXYKZPORIIMANQ-MRVPVSSYSA-N 235.287 0.295 10 10 BCCE Cc1ccc(O)c(CN2CCN[C@H]3COC[C@@H]32)c1 2068833581 UUJZVQSZIVQFRP-STQMWFEESA-N 248.326 0.873 10 10 BCCE C[C@@H]1CCNC[C@H]1Nc1c(N)cccc1C(N)=O 2071710429 CCKNTFZYQMOINP-LDYMZIIASA-N 248.330 0.778 10 10 BCCE Cc1c(N)c(=NCCc2ccc(N)cc2)[nH]n1C 2086316370 GBRFOZAWNRMNLZ-UHFFFAOYSA-N 245.330 0.969 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41 2087008926 KDSLRGDWMNCHTM-LLXLWUBISA-N 247.302 0.642 10 10 BCCE COc1ccc(N2CC(=O)NC[C@@H]2C)c(CN)c1 2220417613 PLSCUWPBZSTMMV-VIFPVBQESA-N 249.314 0.479 10 10 BCCE O=C(c1cccc(O)c1O)N1CC[C@]2(O)C[C@@H]2C1 2254019140 KXVZFJMSOAZNJT-OQPBUACISA-N 249.266 0.695 10 10 BCCE NCc1ccc(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)cc1 2310823143 MRZDCXCSKSCUGJ-RQJABVFESA-N 248.326 0.608 10 10 BCCE CC(=O)NCCN[C@@H](C)c1cc(O)ccc1O 20148901 NEJMYZDNHSSCNI-QMMMGPOBSA-N 238.287 0.885 10 10 BCCE O=[S@@](O)O[C@H](O)c1ccc(O)c(O)c1 39098269 IECNMXKFYDBYLA-ZETCQYMHSA-N 220.202 0.242 10 10 BCCE C[C@@H](O)CCNCc1cccc(O)c1O 82993712 OXLZBNXNCKEMJA-MRVPVSSYSA-N 211.261 0.958 10 10 BCCE N[C@@H](C(=O)NCCCO)c1cc(F)ccc1O 83370188 PHJPJYJQKBVUPL-SNVBAGLBSA-N 242.250 0.030 10 10 BCCE COC(=O)[C@@](C)(N)c1ccc(F)cc1O 95748577 PWMMTNPZTCLQRR-JTQLQIEISA-N 213.208 0.878 10 10 BCCE N[C@@H](c1cc(O)ccc1O)[C@H](O)C1CC1 95815959 XJYCRAUGSTZACR-WDEREUQCSA-N 209.245 0.869 10 10 BCCE COC[C@H](C)[C@H](NCCCN=[N+]=[N-])C(N)=O 163527632 UKUZKYHBXZLXQH-YUMQZZPRSA-N 229.284 0.413 10 10 BCCE N[C@@H](C(=O)O)c1ccc2ocnc2c1O 215415552 CHHNSJRJMOZFHW-ZCFIWIBFSA-N 208.173 0.618 10 10 BCCE NS(=O)(=O)c1cc(C(F)F)c(O)nc1O 238614541 RJWOKKAVSBULIL-UHFFFAOYSA-N 240.187 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77333000 VAYDDNHKOZCTOJ-UHFFFAOYSA-N 222.196 0.840 10 10 BCCE Cn1cc2c(n1)C(=O)c1c(O)cccc1C2=O 82294976 RXSWUGAEOFCUTP-UHFFFAOYSA-N 228.207 0.901 10 10 BCCE CCNC(=O)[C@H](N)c1ccc(OC)cc1O 83353296 CKEIPIKPAZDGRP-SNVBAGLBSA-N 224.260 0.537 10 10 BCCE Cc1cccc([C@@H](N)c2nnc(C=O)o2)c1O 83359453 FVJVYYMQSQXNPI-SECBINFHSA-N 233.227 0.944 10 10 BCCE Cc1ccc([C@@H](N)c2nnc(C=O)o2)c(O)c1 83359457 NMVOPEXKZPQAKS-SNVBAGLBSA-N 233.227 0.944 10 10 BCCE CN(C)C[C@H]1NCCc2ccc(O)c(O)c21 83723673 KTAGWZMFMDRMBQ-SECBINFHSA-N 222.288 0.846 10 10 BCCE CN(C)CCN1CCN(C)c2cc(CN)ccc21 84097033 JHGCKLUIRWGWQW-UHFFFAOYSA-N 248.374 0.963 10 10 BCCE C[C@H](NC[C@H](O)CO)c1cc(F)ccc1O 87111435 SMAMDULWEBFHQD-CBAPKCEASA-N 229.251 0.535 10 10 BCCE C[C@H](NCc1nnn[nH]1)c1cc(F)ccc1O 94617997 ITRAOZMDDOAVTH-LURJTMIESA-N 237.238 0.895 10 10 BCCE Oc1c([C@@H]2CNCCN2)ccc2c1OCO2 95783614 HCDPMUMTJJLAHU-QMMMGPOBSA-N 222.244 0.355 10 10 BCCE C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1 110670547 CRFFKSCYOFXLDK-MRVPVSSYSA-N 248.286 0.621 10 10 BCCE CC(=O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1N=[N+]=[N-] 165307504 JDKNLDGCJZEWDM-GVYWOMJSSA-N 215.209 0.724 10 10 BCCE Nc1ccc(N2CCC(NCCO)CC2)cc1 205044766 FZYFATZNKYGRKJ-UHFFFAOYSA-N 235.331 0.820 10 10 BCCE CC(=O)O[C@@H]1O[C@@H](C)C(=O)C[C@@H]1N=[N+]=[N-] 205766669 QUQRTDXWIJQVMN-WSDOSGOUSA-N 213.193 0.932 10 10 BCCE COc1cc([C@@H](N)C(=O)O)c(O)cc1F 215340579 SYRZCRSMWYROHG-MRVPVSSYSA-N 215.180 0.624 10 10 BCCE C[C@H](O)CN(Cc1ccc(N)cc1)C[C@H](C)O 216791092 ADUSLDIRWVSWAN-QWRGUYRKSA-N 238.331 0.832 10 10 BCCE C[C@@H](N[C@H]1CNC(=O)C1)c1ccc(O)cc1O 228957060 ORUZLUBOMVGRFP-HTQZYQBOSA-N 236.271 0.637 10 10 BCCE C[C@@H]1CNCC[C@@]1(NCCN=[N+]=[N-])C(=O)O 229516462 RCTBXCVJHHWQQP-APPZFPTMSA-N 227.268 0.339 10 10 BCCE O=C(NC[C@@H]1CCNC1)c1ccc(O)c(O)c1 236562745 ACDZVCGYDZQSGV-MRVPVSSYSA-N 236.271 0.437 10 10 BCCE N[C@H](CO)c1ccc2c(c1O)OCCCO2 258360792 GZHJAVDXKHEZAL-MRVPVSSYSA-N 225.244 0.546 10 10 BCCE CCOC(=O)[C@@H](N)c1cc(C)c(O)c(O)c1 260081188 JQPHEOQKROOUMR-VIFPVBQESA-N 225.244 0.969 10 10 BCCE Nc1ccc([C@@H](N)CC(=O)O)c(O)c1F 308773690 ZPQNDSNUAZANKD-LURJTMIESA-N 214.196 0.588 10 10 BCCE Cc1cc(O)c2c(c1N)CC[C@]2(N)C(=O)O 309375182 HFXVKHUOVSRRJR-LLVKDONJSA-N 222.244 0.468 10 10 BCCE C[C@](N)(CO)c1cc(F)cc(C(=O)O)c1O 309574435 YCZHRTXVSGAOFX-JTQLQIEISA-N 229.207 0.396 10 10 BCCE COc1cccc([C@@H]2NC(=O)[C@@H](C)N2)c1O 309906472 KKQUQNXKJJMJIM-LDWIPMOCSA-N 222.244 0.507 10 10 BCCE Cc1cc(CN)ccc1N(CCO)C[C@@H](C)O 383134779 WAHUXWBOBLGRNW-LLVKDONJSA-N 238.331 0.633 10 10 BCCE N=C1NN(c2ccccc2)C(=O)/C1=C\O 389464771 HUYQPUKPKZZUEN-VURMDHGXSA-N 203.201 0.957 10 10 BCCE CN(C)CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 691684577 VVRVPWWIOIXCKM-MRVPVSSYSA-N 211.269 0.849 10 10 BCCE COC(=O)[C@@H](NCCN=[N+]=[N-])[C@@H]1CCCCO1 695024031 LDDUCHSBZADVPM-IUCAKERBSA-N 242.279 0.997 10 10 BCCE N[C@H]1CC(=O)c2cc(C(=O)O)cc(O)c21 713771528 UWBGNLCGYDVDFQ-LURJTMIESA-N 207.185 0.677 10 10 BCCE Cn1cc(CNC(=O)c2cc(O)cs2)nn1 753469622 KPFCUSBZSDNMNF-UHFFFAOYSA-N 238.272 0.512 10 10 BCCE COc1ncccc1C(=O)OCC(=O)C(C)=O 808500105 DJKAUWUHQOPHKP-UHFFFAOYSA-N 237.211 0.405 10 10 BCCE Cc1nc[nH]c1[C@H](NCCCN=[N+]=[N-])C(N)=O 1912147054 VOJNYUZTQOLBSQ-QMMMGPOBSA-N 237.267 0.535 10 10 BCCE C[C@H](O)C1(NCc2ccc(O)c(O)c2O)CC1 1913494416 PSJROTCUKWHURR-ZETCQYMHSA-N 239.271 0.806 10 10 BCCE Cn1ccc([C@@]2(CN)CCCO2)cc1=O 1928180979 IFWWPAXLHPNLSD-NSHDSACASA-N 208.261 0.350 10 10 BCCE NC(=O)[C@H](NCc1cccc(O)c1O)C1CC1 1947320951 CWNBYPQUDZIUEK-SNVBAGLBSA-N 236.271 0.451 10 10 BCCE C[C@]1(CO)CCN1C(=O)Cc1ccc(N)cc1 1947977738 HIMPJBNJYMVQKJ-CYBMUJFWSA-N 234.299 0.795 10 10 BCCE COC(=O)C[C@@H](O)c1cc(O)c(O)c(O)c1 1951522838 BEVXAOCKYDHUSK-ZCFIWIBFSA-N 228.200 0.400 10 10 BCCE COc1cc([C@H]2CNC(=O)CO2)cc(O)c1O 1952152706 PKLFBQDOUGEUJR-SECBINFHSA-N 239.227 0.294 10 10 BCCE NC[C@@]1(c2cc(O)nc(O)c2)CC1(F)F 1952723631 JUMSAEOMCHOIEA-MRVPVSSYSA-N 216.187 0.728 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](O)[C@@H]2COC[C@H]21 1958102685 MEXSAUIFFXJMJJ-HLTSFMKQSA-N 212.253 0.378 10 10 BCCE C[C@@H](O)[C@H]1CN(CCCN=[N+]=[N-])CCO1 1962145665 MJJSBSKHLURIST-RKDXNWHRSA-N 214.269 0.768 10 10 BCCE [N-]=[N+]=NCCCN1CC2(CNC(=O)N2)C1 1974945993 ATJOPAAMKOZQPB-UHFFFAOYSA-N 210.241 0.054 10 10 BCCE NC(=O)[C@@H](NC1CC1)c1c(O)cccc1F 1976872392 FYAKQNSDPWXVMZ-JTQLQIEISA-N 224.235 0.810 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1cn(C)nc1C(F)F 1984200942 GKUHYFWUPXTKPB-QMMMGPOBSA-N 232.186 0.549 10 10 BCCE C[C@@H](NC(=N)NC(=N)N)c1ccccc1O 1989694313 KMCKZOJZDQZLGF-ZCFIWIBFSA-N 221.264 0.461 10 10 BCCE COc1ccc(CN[C@@H](CO)[C@H](C)O)cc1C 2005858224 IKBZCUNGTWPFJP-JQWIXIFHSA-N 239.315 0.835 10 10 BCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CC[C@@H](OC)C1 2013953669 XBPNAGMUMMDYAY-PSASIEDQSA-N 242.279 0.997 10 10 BCCE O=C(NC[C@H]1C=CCN1)c1ccc(O)c(O)c1 2021746803 NYRAXARYKZVARN-SECBINFHSA-N 234.255 0.356 10 10 BCCE Nc1ccc(CC(=O)NC[C@]2(N)CCOC2)cc1 2071722591 IMRCANXIAHDULI-CYBMUJFWSA-N 249.314 0.045 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]1C(=O)O 2210540007 WAXMIWIEFXWRRO-RNFRBKRXSA-N 226.236 0.866 10 10 BCCE COc1ccc(N2C[C@H](O)[C@H](F)C2)c(CO)c1 2214864692 RLUZLROAKBPYNS-PWSUYJOCSA-N 241.262 0.707 10 10 BCCE Cc1cc(CO)ccc1N1CC(O)(CCO)C1 2249528690 AGXPTZFYSDNLTP-UHFFFAOYSA-N 237.299 0.421 10 10 BCCE N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C(=O)O 1951703268 ONFJKSGEQIJSCR-HRDYMLBCSA-N 237.255 0.688 10 10 BCCE N[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O 126668333 GJFQUCCEHBLJBJ-BDAKNGLRSA-N 236.271 0.707 10 10 BCCE Cc1ccc(O)c([C@@H]2CNC(=O)CN2)c1 1951857838 WNUDBGVPEAVDSW-VIFPVBQESA-N 206.245 0.461 10 10 BCCE COc1cc([C@H](N)CN)c(O)c(F)c1F 72200939 GNSSHQIZFWRKPQ-RXMQYKEDSA-N 218.203 0.638 10 10 BCCE Oc1ccc(CNCC2CC(O)C2)c(O)c1 84446610 ISVZBUVMBPRCPO-UHFFFAOYSA-N 223.272 0.958 10 10 BCCE C[C@@H]1NCCCN(c2ccc(N)cc2)C1=O 84490402 ZEONUGZGMFKKAP-VIFPVBQESA-N 219.288 0.984 10 10 BCCE C[C@H]1N[C@H](c2ccc(O)cc2O)NC1=O 380288830 BDNYMRKYSXDQMP-ANLVUFKYSA-N 208.217 0.204 10 10 BCCE Nc1ccc(OC[C@@H](O)CN2CCCO2)cc1 228004274 GSTQMZJBFAALKF-NSHDSACASA-N 238.287 0.646 10 10 BCCE [N-]=[N+]=NC[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 196909107 KYXXBJVPWFJOBN-GUCUJZIJSA-N 214.185 0.096 10 10 BCCE [N-]=[N+]=N[C@@H]1CC[C@@H]2CCC(=O)N2C[C@@H]1O 238701056 DOIOQHHGPOJGHX-PRJMDXOYSA-N 210.237 0.811 10 10 BCCE COc1nonc1N=Nc1nonc1OC 254746873 LNCUNZPBSMPIMI-UHFFFAOYSA-N 226.152 0.885 10 10 BCCE N[C@@H](CO)c1ccc(Br)c(O)c1O 258438916 UGRJBHKVAKIVFW-LURJTMIESA-N 248.076 0.852 10 10 BCCE Cc1c([C@H](N)C(=O)O)cc(O)c(O)c1C 258107755 RSSJPMQUTRJJPG-QMMMGPOBSA-N 211.217 0.799 10 10 BCCE NC[C@@H]1CC[C@@H](c2ccccc2O)NC1=O 258566171 RYRZDVGUQWMGDJ-WPRPVWTQSA-N 220.272 0.918 10 10 BCCE C/C(N)=C\C1=NC(=O)/C(=C\C(=O)O)S1 383916899 FAGIBNHSCYCBHG-ZUVMSYQZSA-N 212.230 0.489 10 10 BCCE COC[C@@H](N)[C@@H](N)c1cc(O)ccc1O 396937536 BTDHOMDEDFNBBP-SCZZXKLOSA-N 212.249 0.071 10 10 BCCE N[C@@H](c1c(O)cccc1[N+](=O)[O-])C1(O)CC1 1952915962 JKOFILMKJIAHOT-VIFPVBQESA-N 224.216 0.825 10 10 BCCE Cc1ccc(CNC(=O)[C@H](N)[C@H](C)O)c(O)c1 83365793 LHKXJIASKJQDJN-GZMMTYOYSA-N 238.287 0.025 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C2CCS(=O)(=O)CC2)C1 1912163012 DINWPZXCBNNMKW-MRVPVSSYSA-N 244.320 0.948 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)[C@]12COC[C@H]1C2 1912161232 GPUYVSVLWFZCCS-VXNVDRBHSA-N 210.237 0.792 10 10 BCCE CN(Cc1ccccc1O)c1nc(N)nc(N)n1 1559143146 MEQITDYEMFOMDC-UHFFFAOYSA-N 246.274 0.378 10 10 BCCE O=C(Cn1ccnc1)NCc1c(O)cccc1O 1635847928 XEPNYEVFKKWTNR-UHFFFAOYSA-N 247.254 0.611 10 10 BCCE Nc1ccc(NCCn2ccnn2)cc1 163713764 DPLBXLOIUSQHKQ-UHFFFAOYSA-N 203.249 0.972 10 10 BCCE CC1(C)O[C@@H]2C(=O)O[C@H](CN=[N+]=[N-])[C@H]2O1 201808718 SNEBIDARLBHUDV-PBXRRBTRSA-N 213.193 0.742 10 10 BCCE C[C@@H](CNCc1ccc(O)cc1O)[S@@](C)=O 159806140 YDPLHHJTAFGBDV-PWJLMRLQSA-N 243.328 0.954 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN1 1940582210 ORKNQWAMQDQQBR-VIFPVBQESA-N 236.271 0.118 10 10 BCCE Oc1c(F)cccc1CNCC1OCCO1 1883433604 IKIAPRVAGFMHTR-UHFFFAOYSA-N 227.235 0.994 10 10 BCCE COC(=O)[C@@H](N)CCc1ccc(O)c(O)c1 1951403605 WHKIUVNBJCFXCP-QMMMGPOBSA-N 225.244 0.531 10 10 BCCE CC(=O)C(=O)[C@]1(O)CCC2(CCC2)NC1 1974879152 HFRFNWGBTHZZSP-NSHDSACASA-N 211.261 0.182 10 10 BCCE CC(=O)NCCN1CCC[C@@H]1CN=[N+]=[N-] 1975318494 LFGWIMAMHMFCKB-SECBINFHSA-N 211.269 0.897 10 10 BCCE C[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCNC1 2003172175 HNWCQPQYHAVNHM-GIPNMCIBSA-N 238.331 0.642 10 10 BCCE CCOC(=O)C[C@H](N)c1cccc(CO)c1O 260011152 FRXQMSPOPWFTNI-JTQLQIEISA-N 239.271 0.838 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H]2OC[C@H](CO)[C@@H]2C1 1983989689 FWTHEQUOEAKSLF-GUBZILKMSA-N 226.280 0.626 10 10 BCCE Nc1ccccc1N[C@@H]1CO[C@H]2CNC[C@@H]12 1989375498 GMKVJJFYMCZWMG-AXTRIDKLSA-N 219.288 0.668 10 10 BCCE O=C(O)CCN(O)Cc1ccc(O)c(O)c1 1993349015 CBUNSQGLIWRULV-UHFFFAOYSA-N 227.216 0.764 10 10 BCCE Oc1ccccc1CN1CCO[C@@H]2COC[C@H]21 2017528035 QYKARYWYCVXONO-DGCLKSJQSA-N 235.283 0.992 10 10 BCCE NC(=O)C1CC(NCc2ccc3c(c2)CCO3)C1 716724172 SWENGDVTCQKYKN-UHFFFAOYSA-N 246.310 0.975 10 10 BCCE CN(C(=O)c1ccc(O)c(O)c1)C1CC(N)C1 384822794 FNEJRJULOFXDJA-UHFFFAOYSA-N 236.271 0.660 10 10 BCCE 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Nc1ccc(CC(=O)NC[C@H](O)CF)cc1 1221335733 BHVAYTRNCDCIAK-SNVBAGLBSA-N 226.251 0.258 10 10 BCCE CCN1CCN(CCc2ccc(N)cc2)C(=O)C1 2051501154 PJGUUVWBMFQIAV-UHFFFAOYSA-N 247.342 0.975 10 10 BCCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2065025948 XKTCYLDOXVDLQL-MELADBBJSA-N 248.326 0.565 10 10 BCCE CN1CCN(c2ccc3c(c2)CC[C@H]3N)CC1=O 2065065318 KJKWMQHCROMHHH-CYBMUJFWSA-N 245.326 0.911 10 10 BCCE Cc1cccc(O)c1CN1CCN[C@H]2COC[C@@H]21 2068824655 AVGIKQRFTLPWAL-STQMWFEESA-N 248.326 0.873 10 10 BCCE Nc1ccc(CCC(=O)NC2[C@H]3CNC[C@H]23)cc1 2071722852 MLAAEDJITRUJBN-RYUDHWBXSA-N 245.326 0.535 10 10 BCCE CC1(C)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2081488996 ZBLIZISYKULNJO-QWRGUYRKSA-N 248.282 0.632 10 10 BCCE Cc1cccc(CNC(=O)Cn2cnnn2)c1O 2084052994 RRCIKWQNTGMHPB-UHFFFAOYSA-N 247.258 0.004 10 10 BCCE [N-]=[N+]=NCCCN1CCC[C@@H]2CNC(=O)[C@H]21 2242679341 NGFUGKMOLSSCLK-BDAKNGLRSA-N 223.280 0.897 10 10 BCCE CCC(CO)(CO)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2246461421 BBMBQCQXZCVLTG-MRVPVSSYSA-N 242.279 0.279 10 10 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10 10 BCCE O=C(N=c1ccnc(F)[nH]1)c1ccc(O)c(O)c1 2058733371 DURGGEPKACCZJF-UHFFFAOYSA-N 249.201 0.701 10 10 BCCE O=C(c1cccc(O)c1O)N1CCC=C[C@@H]1CO 2061984140 YTDRPBKOXKVCLU-SECBINFHSA-N 249.266 0.861 10 10 BCCE C[C@@H]1CNCCN1c1cc2c(cc1N)OCCO2 2071619738 OPTXIQFIHBRFJV-SECBINFHSA-N 249.314 0.838 10 10 BCCE CN(c1cc2c(cc1N)OCC(=O)N2)C1CNC1 2071628036 YPGWUCFDPSZMRG-UHFFFAOYSA-N 248.286 0.008 10 10 BCCE CNCc1ccc(N(C)Cc2nnn(C)n2)cc1 2077191291 AXZLECOLWZJCIM-UHFFFAOYSA-N 246.318 0.566 10 10 BCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1 2213587214 GFNPTVJQGYJDHK-XLPZGREQSA-N 237.263 0.613 10 10 BCCE Cc1cc(CN)ccc1N1CC(O)(CCO)C1 2249526237 DJAYUFDWIXQGHE-UHFFFAOYSA-N 236.315 0.387 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCN[C@H]3C[C@H]32)C1 2303776710 PUJRTOVSSGUQEP-APLZJWDSSA-N 236.315 0.250 10 10 BCCE CN(C)CC1(O)CN(CCc2ccc(N)cc2)C1 2320542341 TUVJICOAZRWCQN-UHFFFAOYSA-N 249.358 0.420 10 10 BCCE C[C@@H](NCc1cccc(O)c1O)c1nnn[nH]1 44926660 BSQFCOVEZSTKEJ-ZCFIWIBFSA-N 235.247 0.462 10 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NC[C@]12C[C@@H]1CN(C(=O)Cc1ccc(N)cc1)C2 2259915642 WUXHNFSHWUJDEL-RISCZKNCSA-N 245.326 0.619 10 10 BCCE Cn1nc(OCc2ccc(N)cc2)nc1[N+](=O)[O-] 2321698660 BKQTVNLYSJLPEV-UHFFFAOYSA-N 249.230 0.885 10 10 BCCE CC[C@H](NCC(N)=O)c1ccccc1O 21958501 ORPGNVLXMHVGAJ-VIFPVBQESA-N 208.261 0.918 10 10 BCCE COc1ccc(O)c(CNCC2OCCO2)c1 1892566736 FHRGOWKYZNRPKW-UHFFFAOYSA-N 239.271 0.863 10 10 BCCE O=C1C[C@@H](c2cccc(O)c2O)[C@H](C(=O)O)N1 1951865934 CTAWBEVWMKYHGC-IMTBSYHQSA-N 237.211 0.155 10 10 BCCE NC(=O)N1CCN(c2ccc(N)cc2)CC1 35367335 URVDOOKVTSOJEB-UHFFFAOYSA-N 220.276 0.470 10 10 BCCE N[C@H](C(=O)O)c1cc(F)cc(F)c1O 72191198 VJZQHOUOLDNBNJ-LURJTMIESA-N 203.144 0.755 10 10 BCCE CCc1cc([C@H](N)CO)c(O)cc1OC 215568024 HAVLPZSDDOZQSA-SECBINFHSA-N 211.261 0.955 10 10 BCCE Cc1cc(N2CC[C@H](C(N)=O)C2)ccc1CN 235853582 MENFXBZKRGYDBU-NSHDSACASA-N 233.315 0.765 10 10 BCCE CC(C)[C@@H](NCc1ccc(O)c(O)c1)C(N)=O 231040236 LGYANTNMVXSWBT-LLVKDONJSA-N 238.287 0.697 10 10 BCCE C[C@H](NC[C@](C)(O)CO)c1ccc(O)cc1O 90285885 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BCCE Oc1ccc(CN[C@H]2[C@H]3COC[C@H]32)c(O)c1O 2006187384 DRUVKUPDNUWNNE-DIYOJNKTSA-N 237.255 0.538 10 10 BCCE C[C@H](O)[C@H](CO)NCc1cccc(Cl)c1O 1982032000 KFSSVVNMHZZQFS-XVKPBYJWSA-N 245.706 0.877 10 10 BCCE O=C(NC[C@H]1CCCO1)c1cc(O)nc(O)c1 170223100 WKTVOPBMOJXJLY-MRVPVSSYSA-N 238.243 0.402 10 10 BCCE Nc1cc(O)nc(-c2cc(O)c(O)c(O)c2)n1 2015121475 DANJMWZXYUOFQR-UHFFFAOYSA-N 235.199 0.548 10 10 BCCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](N(C)C)C1 2029425618 RCUFDVWKFBMBMT-KGLIPLIRSA-N 249.358 0.565 10 10 BCCE Nc1ccc(N2CCN(CC(=O)O)C2=O)cc1 707806134 IGMPSJQSUSLEDX-UHFFFAOYSA-N 235.243 0.595 10 10 BCCE CNC(=O)C1CN(c2ccc(CN)c(F)c2)C1 381978059 YJLPHKAVPUZTPH-UHFFFAOYSA-N 237.278 0.467 10 10 BCCE CN(C)c1ccc([C@@H](O)c2cc(=N)[nH]n2C)cc1 2044715707 WNCOQXRQUJXGFF-CYBMUJFWSA-N 246.314 0.980 10 10 BCCE Nc1ccc(CN2C[C@H]3C[C@H](O)[C@@H](O)[C@H]2C3)cc1 2053109481 YVMPMXHLZHLGHX-ZZVYKPCYSA-N 248.326 0.585 10 10 BCCE Cc1cccc(CNC(=O)[C@@H]2NC[C@H]3C[C@@H]32)c1O 2084069174 XRPKYIXEOPAYBR-GRYCIOLGSA-N 246.310 0.925 10 10 BCCE Nc1ccc(O)c(CN2C[C@H](O)C[C@@H](F)C2)c1 2213899019 CHJIJFSTXPVBHD-MWLCHTKSSA-N 240.278 0.879 10 10 BCCE Cc1nn[nH]c1CCNCc1cccc(O)c1O 2219262681 WKDWMEBHAVFOPH-UHFFFAOYSA-N 248.286 0.857 10 10 BCCE CO[C@H]1CN(c2ccc(CN)cc2)[C@@H]2COC[C@@H]21 2308654248 GFLSMLXZNUCRGL-MJBXVCDLSA-N 248.326 0.995 10 10 BCCE COC(=O)Cc1cc(O)c(O)cc1F 32181084 YYVBJRPVHMAROB-UHFFFAOYSA-N 200.165 0.952 10 10 BCCE C[C@H](N[C@H](C)C(N)=O)c1ccc(O)cc1O 35793555 WMHPUUTYGHQEJD-NKWVEPMBSA-N 224.260 0.622 10 10 BCCE Nc1ccc(OCCn2cnnc2)cc1 54405075 OIYBGEIXZDUPGX-UHFFFAOYSA-N 204.233 0.939 10 10 BCCE C[C@H](NC(CO)CO)c1cc(F)ccc1O 87111429 ASFAJYARAWYOAF-ZETCQYMHSA-N 229.251 0.535 10 10 BCCE Oc1cc(F)cc(F)c1[C@@H]1CNCCN1 95718981 WXZQAJXOEUJUII-QMMMGPOBSA-N 214.215 0.904 10 10 BCCE COc1ccc(CN2CC[C@H](O)C2)c(O)c1 128172556 VQIWLYZESOMLEH-JTQLQIEISA-N 223.272 0.967 10 10 BCCE CN(C)c1ccc([C@@H]2CNC(=O)CN2)cc1 221343297 QCJSUYKZTZIPKZ-NSHDSACASA-N 219.288 0.513 10 10 BCCE CO[C@H](C)[C@](C)(NCCN=[N+]=[N-])C(=O)O 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241.295 0.825 10 10 BCCE C[C@H]1C[C@](NCCCN=[N+]=[N-])(C(=O)O)CN1C 127310007 OIECFAOTOFVNPT-WCBMZHEXSA-N 241.295 0.824 10 10 BCCE O=C1CCN(Cc2ccccc2O)CCN1 179570585 BTMBFZFJUFMWKO-UHFFFAOYSA-N 220.272 0.714 10 10 BCCE COC(=O)[C@](O)(CN=[N+]=[N-])C(F)(F)F 223929758 VWNVQSKKDPRFCO-SCSAIBSYSA-N 213.115 0.763 10 10 BCCE COC(=O)C[C@H](N)c1c(O)cccc1O 238358842 ZEFAUPNPXOTIIJ-LURJTMIESA-N 211.217 0.661 10 10 BCCE C[C@@H](NCc1cc(O)ccc1O)C(=O)O 238400968 CUGZUKAMPLUISH-ZCFIWIBFSA-N 211.217 0.661 10 10 BCCE N[C@H]1[C@@H]2CN(c3ccc4c(c3)OCO4)C[C@H]12 257595387 GVEPRKKDNHDCGW-GDGBQDQQSA-N 218.256 0.809 10 10 BCCE CN1CC(CNC(=O)COc2ccc(N)cc2)C1 379449216 XIIGGDPBMSVQEB-UHFFFAOYSA-N 249.314 0.325 10 10 BCCE N#Cc1cc(F)cc([C@@H](N)CC(=O)O)c1O 381369709 HDFFLSAHBGHLPO-QMMMGPOBSA-N 224.191 0.877 10 10 BCCE CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](OC)[C@@H]1O 383684240 JLIZTHIBSNJJLB-HEIBUPTGSA-N 217.225 0.432 10 10 BCCE CN(CCc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 709117568 IUIDYZXNOGAPIN-OLZOCXBDSA-N 236.315 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232.330 0.864 10 10 BCCE CO[C@]12C[C@@H](CN=[N+]=[N-])O[C@H]1NC(=O)N2 169663346 JSGLQUMDSAMPST-HBPOCXIASA-N 213.197 0.067 10 10 BCCE O=C(c1cccc(O)c1O)N1CC(CCO)C1 1946933070 XBEFCMHBLLAEHK-UHFFFAOYSA-N 237.255 0.552 10 10 BCCE OC[C@@H](O)CCNCc1ccc(Cl)cc1O 1963626071 NYRZFAKUEBSYTE-JTQLQIEISA-N 245.706 0.879 10 10 BCCE CC(C)(NCc1ccc(F)cc1O)C(N)=O 1975378415 GDEWJTFHRLITEX-UHFFFAOYSA-N 226.251 0.885 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1976844687 MOFPAXBWJMTOQB-RGOKHQFPSA-N 226.280 0.503 10 10 BCCE COC[C@](O)(CN)c1ccc(N(C)C)cc1 1977940240 WUFKFJGTLSCUFP-GFCCVEGCSA-N 224.304 0.545 10 10 BCCE Oc1cccc(CN[C@H]2COC[C@H]2F)c1O 1989318644 IKWXOELXIQDXCN-BDAKNGLRSA-N 227.235 0.924 10 10 BCCE NC(=O)N[C@@H]1CCN(Cc2ccccc2O)C1 271259936 IDWWYHQLIPHPGZ-SNVBAGLBSA-N 235.287 0.635 10 10 BCCE CNC(=O)CCNCc1c(O)cccc1OC 1997940920 KOYFMFAIWQRYGW-UHFFFAOYSA-N 238.287 0.627 10 10 BCCE CCC(CO)(CO)NCc1c(C)cccc1O 1997966380 ADYHPPWNCPJFTD-UHFFFAOYSA-N 239.315 0.924 10 10 BCCE 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NC(=O)C1CC(NCc2cc(F)ccc2O)C1 716685639 TUOHTXOUOWJONL-UHFFFAOYSA-N 238.262 0.885 10 10 BCCE Nc1ccc(OCC(=O)NCCN2CCC2)cc1 697403415 VSYRPPTXLHSFMF-UHFFFAOYSA-N 249.314 0.470 10 10 BCCE C[C@]1(CO)C[C@@H](O)CN1c1ccc(CO)cc1 698135488 CZLVSOXQQBKDGE-CHWSQXEVSA-N 237.299 0.501 10 10 BCCE CN(C)[C@H]1CN(CCCCN=[N+]=[N-])C[C@H]1O 1912165958 QUBLOGIFLSIVOW-VHSXEESVSA-N 227.312 0.684 10 10 BCCE CCN1CC[C@@H](N2CC[C@H](N=[N+]=[N-])C2)C1=O 1912153216 AELLLZWGCJJLDJ-DTWKUNHWSA-N 223.280 0.992 10 10 BCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H]2COC[C@@H]21 1912185937 XTTRIKPBSGNGOH-WEDXCCLWSA-N 240.263 0.464 10 10 BCCE Cc1nn[nH]c1C(=O)NCc1ccc(O)cc1O 1451770706 QWQKWOMTKDJPSG-UHFFFAOYSA-N 248.242 0.454 10 10 BCCE COC[C@@H](Nc1ccc(N)cc1)C(N)=O 1932166438 XQUQWKBIXIJRON-SECBINFHSA-N 209.249 0.181 10 10 BCCE NCc1cnc(SCCC(N)=O)s1 1934278278 WDMUXIVTXDWJOH-UHFFFAOYSA-N 217.319 0.569 10 10 BCCE Oc1cc([C@@H]2C[C@H](O)CCN2)cc(O)c1O 1894483190 TTZOULQDYISLCP-SFYZADRCSA-N 225.244 0.589 10 10 BCCE CO[C@@H]1CN(C)C[C@@H]1NCc1ccc(N)cc1 1946443401 RVXIYLZVVGDZQS-QWHCGFSZSA-N 235.331 0.687 10 10 BCCE O=C1C[C@@H](CNCc2c(O)cccc2F)CN1 1964035816 WREPHIOOSYEDPS-QMMMGPOBSA-N 238.262 0.757 10 10 BCCE C[C@H]1CN[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980372269 ZCYBFOOAJNWASH-ZYUZMQFOSA-N 224.304 0.250 10 10 BCCE Cc1cccc(CNC(=O)C2CNC2)c1O 1994452690 YYVTZYOFVSROMA-UHFFFAOYSA-N 220.272 0.536 10 10 BCCE COC[C@H](C(=O)O)N(C)Cc1ccc(N)cc1 1999257117 UQZVSGCUSXBCHD-LLVKDONJSA-N 238.287 0.800 10 10 BCCE Nc1ccc(N2C[C@@H](N)C[C@]23CCOC3)cc1 2016960343 CZIMLIYCZXMJMK-AAEUAGOBSA-N 233.315 0.965 10 10 BCCE Cc1ncccc1[C@@H](NCCN=[N+]=[N-])C(N)=O 2017833392 GIFPNBCMLOMXEM-SECBINFHSA-N 234.263 0.816 10 10 BCCE Oc1ccc(F)cc1CNCCn1ncnn1 379981713 PPXJWTIKIUYHGP-UHFFFAOYSA-N 237.238 0.308 10 10 BCCE C[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 387761055 ADLVWIYVMYICQX-HQJQHLMTSA-N 237.255 0.551 10 10 BCCE Cc1cc(CO)ccc1N1CC(=O)N[C@@H]2CC[C@@H]21 2049366070 GSZDRRGLJGEFCX-YPMHNXCESA-N 246.310 0.955 10 10 BCCE CC(=O)NC1CN(c2ccc3c(c2)CC[C@H]3O)C1 2065071222 FRKKGQVRRXQWKQ-CQSZACIVSA-N 246.310 0.991 10 10 BCCE O[C@@H]1CN(c2ccc3c(c2)CCO3)[C@H]2COC[C@H]12 2219577594 UZAVFYXWEQWEKN-RWMBFGLXSA-N 247.294 0.817 10 10 BCCE OCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1 2244307261 ZLGWDNAUNKDHHJ-NWDGAFQWSA-N 223.272 0.111 10 10 BCCE OCC[C@H](O)CCNCc1ccc(O)cc1O 2306870801 ZBTVBLDYRVCGLL-SNVBAGLBSA-N 241.287 0.321 10 10 BCCE Nc1ccc(CN2C[C@@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2309626625 YVMPMXHLZHLGHX-DOERSZECSA-N 248.326 0.585 10 10 BCCE NCc1ccc(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2311414429 FCWLGABQDMKJKZ-YXCITZCRSA-N 248.326 0.466 10 10 BCCE Nc1ccc(CC(=O)N[C@H]2C[C@@H]3C[C@H]2CN3)cc1 2318484079 DJHISZYMCNJHEW-DRZSPHRISA-N 245.326 0.678 10 10 BCCE COc1ccc(N(C)C[C@H](O)CN)cc1 1762557 JZTHRYGQGPLAPA-SNVBAGLBSA-N 210.277 0.451 10 10 BCCE Oc1ccc(CNCCc2ncn[nH]2)c(O)c1 80577033 WOYYXGHWOUBYGY-UHFFFAOYSA-N 234.259 0.548 10 10 BCCE Cc1cc(C)c([C@H]2NCCNC2=O)c(O)c1 83015451 NLSDVFXNVIMZSW-LLVKDONJSA-N 220.272 0.770 10 10 BCCE C[C@H](N)C(=O)NCc1cccc(O)c1O 83346125 ZEOYKXXRRFHUCS-LURJTMIESA-N 210.233 0.061 10 10 BCCE CNC(=O)CN[C@@H](C)c1ccccc1O 87728085 BBYNHPCJYDLKRM-QMMMGPOBSA-N 208.261 0.789 10 10 BCCE CCn1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)cn1 96577723 JNNBGZNKZLCIAZ-XBXARRHUSA-N 248.242 0.835 10 10 BCCE C[C@@H](CC(=O)O)NC(=O)c1cccc(O)c1O 125995797 OTXIRBHDUCQZER-LURJTMIESA-N 239.227 0.691 10 10 BCCE NC[C@H]1CN(Cc2ccc(O)cc2O)CCO1 165481664 FJHRBOIJTVIQIM-NSHDSACASA-N 238.287 0.257 10 10 BCCE Nc1ccc(N2C(=O)C[C@H]2C(=O)O)cc1 167638449 LHOHLVMKMXVWBQ-QMMMGPOBSA-N 206.201 0.459 10 10 BCCE COC(=O)CN[C@H](C)c1c(O)cccc1O 234541114 VXOBDINIXCROTO-SSDOTTSWSA-N 225.244 0.921 10 10 BCCE C[C@@H](NCCNC(N)=O)c1c(O)cccc1O 235201630 OHHZDBFSKGYWJH-SSDOTTSWSA-N 239.275 0.417 10 10 BCCE CC(=O)NCCC(=O)Nc1ccc(N)cc1 243599098 OUGUNTWBYOQBHF-UHFFFAOYSA-N 221.260 0.734 10 10 BCCE COCCOCCN(C)CCN=[N+]=[N-] 308460091 FJLKOHYWFDDOPK-UHFFFAOYSA-N 202.258 0.892 10 10 BCCE CCN1CC[C@@](NCCN=[N+]=[N-])(C(=O)O)C1 328510001 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[N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(N)=O 2298455975 AGAOQYZNNFYDPJ-WCTZXXKLSA-N 237.263 0.455 10 10 BCCE CN1C(=O)C(=Cc2ccco2)C(=O)NC1=S 2313656653 SOCCGGZTEJHSTR-UHFFFAOYSA-N 236.252 0.536 10 10 BCCE CNC(=O)CNCc1ccc2c(c1)CCCN2C 50286448 NBOKPDQXZZEQSS-UHFFFAOYSA-N 247.342 0.905 10 10 BCCE O=C1CCN[C@H](c2ccccc2O)CN1 108317475 WZRZZDVEAUXZQB-VIFPVBQESA-N 206.245 0.543 10 10 BCCE Nc1ccc(CC(=O)NCC2(O)CCC2)cc1 127271679 ZJAZIOFOYKRWOF-UHFFFAOYSA-N 234.299 0.843 10 10 BCCE [N-]=[N+]=NS(=O)(=O)c1ccc(C(=O)O)cn1 306555600 MCBUCGMPYICSHT-UHFFFAOYSA-N 228.189 0.779 10 10 BCCE CN(CCO)CC(=O)N(C)c1ccc(N)cc1 37899176 SJRJSZILENCYRR-UHFFFAOYSA-N 237.303 0.156 10 10 BCCE Cc1nc(CNC(=O)c2cccc(O)c2O)no1 185664427 MNNYBMFFVJLDTP-UHFFFAOYSA-N 249.226 0.719 10 10 BCCE COc1cc([C@H]2OCC[C@@H]2O)cc(O)c1O 1952363867 YTRCGPURJWYCSY-WRWORJQWSA-N 226.228 0.929 10 10 BCCE Nc1ccc(NC(=O)N[C@@H]2CNC(=O)C2)cc1 229175760 YOTYCYOZRDSRPY-VIFPVBQESA-N 234.259 0.279 10 10 BCCE CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])C[C@H](O)O[C@H]1C 135736544 PFRKCSWGXRPANJ-JPCMASIJSA-N 215.209 0.724 10 10 BCCE O=C(NCc1cccnn1)c1ccc(O)c(O)c1 236565295 OEXXBJJKQHBVFU-UHFFFAOYSA-N 245.238 0.818 10 10 BCCE Nc1ccc(N2C(=O)CCC2=O)c(N)c1 143569981 YWEZYHPTSMVAKI-UHFFFAOYSA-N 205.217 0.504 10 10 BCCE Nc1cc([C@@H]2CNCCN2)c(O)cc1F 238613636 BKURIIJTANXCPJ-VIFPVBQESA-N 211.240 0.347 10 10 BCCE N[C@H](c1ccc(O)c(O)c1)[P@H](=O)O 238626734 FJBIUODMVLFYHW-ZETCQYMHSA-N 203.134 0.522 10 10 BCCE N[C@@H](CCC(=O)O)c1cccc(CO)c1O 258404393 KTUUJNSZZLLNCA-VIFPVBQESA-N 225.244 0.749 10 10 BCCE O=[N+]([O-])c1cccc(O)c1[C@@H]1COCCN1 1952879676 YKCAYYUXESVKCE-ZETCQYMHSA-N 224.216 0.961 10 10 BCCE N[C@@H]1CC(=O)c2cc(C(=O)O)cc(O)c21 713771533 UWBGNLCGYDVDFQ-ZCFIWIBFSA-N 207.185 0.677 10 10 BCCE O=C1CC[C@H](c2cc(CCO)ccc2O)N1 687771767 QBPMQGJKGBPLMK-SNVBAGLBSA-N 221.256 0.878 10 10 BCCE COc1cccc(CNC(=O)CCCN)c1O 83365706 BJEWWWGHHSQFBJ-UHFFFAOYSA-N 238.287 0.756 10 10 BCCE CN(C)S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912157414 SRIJHEIMTGYQTI-UHFFFAOYSA-N 233.297 0.568 10 10 BCCE COc1ccc(N2CC([N+](=O)[O-])C2)c(CO)c1 2214863509 FFRVOIULUMSOIS-UHFFFAOYSA-N 238.243 0.653 10 10 BCCE COC(=O)c1nn(C)cc1[C@H](CO)N=[N+]=[N-] 1535678560 XIIFXKSYDFSJBQ-LURJTMIESA-N 225.208 0.550 10 10 BCCE CCN[C@@H](C(N)=O)c1cc(F)ccc1O 233523103 VWAOTVJROFBTEE-SECBINFHSA-N 212.224 0.667 10 10 BCCE Cc1c([C@@H](NN)c2ccccc2O)nnn1C 1942400195 HHCJVRTWQUTJBJ-NSHDSACASA-N 233.275 0.382 10 10 BCCE OC[C@H](O)CCNCc1cccc(Cl)c1O 1963627341 JSPACHHFRNHOTM-SECBINFHSA-N 245.706 0.879 10 10 BCCE Nc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 1950976550 FKXSLZCUYSFOLK-SKDRFNHKSA-N 231.299 0.841 10 10 BCCE CN(Cc1ccc(N)cc1)C[C@@H](N)C(=O)O 1977764062 YMEQAOVUKFYJHN-SNVBAGLBSA-N 223.276 0.113 10 10 BCCE CC(C)[C@@H](CN)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2003172154 HESYXNKCLUBLNV-GMTAPVOTSA-N 240.347 0.873 10 10 BCCE OCC[C@@H]1CN(c2ccc(CO)cc2)CCO1 2005060746 NCFGCSWBTZCSOJ-CYBMUJFWSA-N 237.299 0.767 10 10 BCCE CN(C[C@@H]1CCN1)C(=O)Cc1ccc(N)cc1 2016984222 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[N-]=[N+]=NCCN[C@H](C(N)=O)[C@@H]1C[C@H]2C[C@@H]1C2 1902415631 UOQPHBOAOKVNSG-XAVMHZPKSA-N 223.280 0.786 10 10 BCCE CN1CCc2c1ccc([C@@H](N)C(=O)O)c2O 215946794 OGHMSHJIPFFQLT-SECBINFHSA-N 222.244 0.469 10 10 BCCE [N-]=[N+]=NC1CCN(C[C@@H]2CC(=O)N2)CC1 1912159930 OMDQOLKKYJQVPO-QMMMGPOBSA-N 209.253 0.650 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)N2CCOCC2)C1 1912178697 OWOZIOPWMABCCE-UHFFFAOYSA-N 211.225 0.433 10 10 BCCE CN(C)Cc1cc([C@H](N)CC(=O)O)ccc1O 1535716062 QKNUUEYNHRFAEL-SNVBAGLBSA-N 238.287 0.928 10 10 BCCE Cn1nncc1NC(=O)c1cc(O)cs1 1558559100 MYSLJZJTYHCOAT-UHFFFAOYSA-N 224.245 0.835 10 10 BCCE CCC[C@H]1C[C@](O)(C(=O)C(C)=O)CCO1 1929180399 RMRSJYGTZQFUGL-ONGXEEELSA-N 214.261 0.855 10 10 BCCE CCc1nc(C(=O)NCc2ccc(N)cc2)n[nH]1 159381465 GFTWKZIGQDUFDH-UHFFFAOYSA-N 245.286 0.879 10 10 BCCE CN1C(=O)C[C@@H](NCc2ccc(N)cc2)C1=O 1944076680 WQBBVLJGCIRDBG-SNVBAGLBSA-N 233.271 0.116 10 10 BCCE Nc1ccc(CCC(=O)N2CC[C@H]2CO)cc1 1944102605 LVOJBWMUCLXNLR-LBPRGKRZSA-N 234.299 0.795 10 10 BCCE 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0.751 10 10 BCCE CN[C@H](c1ccccc1O)[C@@H]1CN2CCN1CC2 2029554907 DOYDBVJLFGAEGW-GXTWGEPZSA-N 247.342 0.653 10 10 BCCE COC[C@@H]1CC(=O)N(c2ccc(N)cc2)C(=O)N1 2031877843 BUOIGTBURUIYIL-VIFPVBQESA-N 249.270 0.730 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H]2C[C@H]21 2034683910 DYJPIZARSGHFDP-NXEZZACHSA-N 248.282 0.213 10 10 BCCE O=C(N[C@@H]1CCC[C@@H]1O)c1cc(O)nc(O)c1 323016509 WZIGSUYIYSTPRT-SFYZADRCSA-N 238.243 0.136 10 10 BCCE O=C(NCCOCCF)c1ccc(O)c(O)c1 702654787 KIEQZRGDHDNCBM-UHFFFAOYSA-N 243.234 0.814 10 10 BCCE CC[C@@H](NC(=O)c1cccc(O)c1O)[C@H](C)N 386828443 HJYBTOSINPIJEL-IONNQARKSA-N 238.287 0.953 10 10 BCCE CCC(=O)NCCNCc1cccc(O)c1O 393152687 FQOQDBGMZDUVIT-UHFFFAOYSA-N 238.287 0.714 10 10 BCCE Oc1cc2c(cc1CNCc1cnn[nH]1)OCO2 398343608 OAPVAZRXPIFBQU-UHFFFAOYSA-N 248.242 0.529 10 10 BCCE Nc1ccc(N2CCNCCNC(=O)CC2)cc1 2071656051 FKQVLTWFLGFNQP-UHFFFAOYSA-N 248.330 0.185 10 10 BCCE C[C@H]1CNC[C@@H]1CNC(=O)Cc1ccc(N)cc1 2071730006 JERPRFJEUMMSHV-CMPLNLGQSA-N 247.342 0.783 10 10 BCCE 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10 10 BCCE O=C(O)CNC(=O)NCc1ccccc1O 258333283 YSJSBYNPVUFTKF-UHFFFAOYSA-N 224.216 0.276 10 10 BCCE COC(=O)c1cc(OC)c(O)c([C@H](N)CO)c1 258389872 WRZROJGQFATYCD-MRVPVSSYSA-N 241.243 0.180 10 10 BCCE CNC(=O)[C@H](C)NCc1ccc(F)cc1O 294010937 UHANUDRELQIYAZ-ZETCQYMHSA-N 226.251 0.755 10 10 BCCE CO[C@@H]1O[C@@H]2C[S@](=O)[C@H]2[C@H]1N=[N+]=[N-] 307671699 UQRMIUWLKIHZIT-BMXADULOSA-N 203.223 0.168 10 10 BCCE COC[C@H](O)[C@@H](N)c1cccc(F)c1O 308973050 PZPRYVSHHFPBEP-IUCAKERBSA-N 215.224 0.538 10 10 BCCE CC[C@H](NCc1cccc(OC)c1O)C(N)=O 383224544 LQSHLXVBSZCPID-VIFPVBQESA-N 238.287 0.754 10 10 BCCE NCC[C@H](N)c1cc(F)cc(C(=O)O)c1O 396454870 LUNRWQCOLQWFKE-QMMMGPOBSA-N 228.223 0.578 10 10 BCCE CNC[C@H]1CNC[C@H]1c1ccc(O)c(O)c1 396780854 HMLFTCVMDLPGOY-UWVGGRQHSA-N 222.288 0.620 10 10 BCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CO[C@@H](C)[C@H]1C 405640802 VWXUZMRUVXIJOS-WEDXCCLWSA-N 242.279 0.853 10 10 BCCE C[C@H](N[C@@H](C)[C@@H](O)CO)c1cc(F)ccc1O 699006106 MXRCSAYNURBHJV-UBJUHAIHSA-N 243.278 0.924 10 10 BCCE CN(CC(=O)N1CCCC1=O)c1ccc(N)cc1 702063037 FEWPVHHMPCFBNS-UHFFFAOYSA-N 247.298 0.854 10 10 BCCE OC[C@@H](c1ccccc1O)N1CCNCC1 709677984 HWQHSZBFPQXTPH-NSHDSACASA-N 222.288 0.331 10 10 BCCE Oc1cc(O)c([C@H]2C[C@H](O)CCN2)c(O)c1 1894492559 PGHPGTPGAUWGRU-HTRCEHHLSA-N 225.244 0.589 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(CCCS(=O)(=O)O)C1 1912146066 OWDHIBKDAMQYCW-QMMMGPOBSA-N 248.308 0.897 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 1912196701 MOUBNKMREJWXIM-SSDOTTSWSA-N 249.274 0.518 10 10 BCCE CN1C(=O)C[C@H](N2CCC(N=[N+]=[N-])CC2)C1=O 1912204613 BHOOEKPCSZCVLE-QMMMGPOBSA-N 237.263 0.518 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(CC(=O)N2CCC2)C1 1912205267 NVWOYOHJSZCCNU-VIFPVBQESA-N 223.280 0.851 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCS[C@H](C)C1 1931624525 CXFZCLFXOMFRDH-HZGVNTEJSA-N 202.275 0.791 10 10 BCCE C[C@H](O)c1ccc(N2CC[C@H]2C(N)=O)cc1O 1941840154 BDRCEEDPDJEDRB-XVKPBYJWSA-N 236.271 0.510 10 10 BCCE CCN1C[C@H](NCc2ccc(N)cc2)CC1=O 1944078765 WDOWGQDQBKKBAO-GFCCVEGCSA-N 233.315 0.979 10 10 BCCE O=C(N[C@]12CNC[C@@H]1C2)c1cccc(O)c1O 1950092184 LTKQGXQNMCSGMB-JVXZTZIISA-N 234.255 0.190 10 10 BCCE OC[C@]1(F)C[C@H]1c1ccc(O)c(O)c1O 1952363635 WCROAHMWNUJJIU-QUBYGPBYSA-N 214.192 0.991 10 10 BCCE CCOC(=O)[C@@]1(c2ccc(O)c(O)c2)C[C@@H]1N 1952675226 BKMHCEUOPCKZHP-CMPLNLGQSA-N 237.255 0.630 10 10 BCCE Oc1cccc(CN[C@@H]2CC[C@H]2O)c1O 1958968914 DCIIOONLIPLSHL-RKDXNWHRSA-N 209.245 0.711 10 10 BCCE [N-]=[N+]=NCCCN1CCn2ncnc2C1 1961283270 NZCCUTJNXBSFPB-UHFFFAOYSA-N 207.241 0.794 10 10 BCCE COc1nc(C(=O)NCCN=[N+]=[N-])co1 1961730058 CQGGHVNSPHKYOO-UHFFFAOYSA-N 211.181 0.723 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2[C@H]3CCCN[C@@H]32)cc1 1967047580 DCJVLLGBZYROLB-FPMFFAJLSA-N 245.326 0.678 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1976844691 MOFPAXBWJMTOQB-XFWSIPNHSA-N 226.280 0.503 10 10 BCCE CC=CC[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1983620293 RZOYPAGPOXRTRI-OPRDCNLKSA-N 224.304 0.546 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@@H]1CCNC1=O 1986759054 SOCJWMDMQJEMEM-IUCAKERBSA-N 223.280 0.897 10 10 BCCE Nc1ccc(N2CC[C@H](O)C[C@@H]2CO)cc1 1993218807 VQUWMVGWAHGYOB-NEPJUHHUSA-N 222.288 0.591 10 10 BCCE CC[C@@H](NCc1ccc(F)cc1O)C(N)=O 1994524855 PDKPWGIWEOQJFD-SECBINFHSA-N 226.251 0.885 10 10 BCCE Oc1cccc(F)c1CN[C@@H]1CCOC[C@H]1O 1997946716 OFZUBFYVAOSGOK-ZYHUDNBSSA-N 241.262 0.771 10 10 BCCE O=C1N[C@H]2CN(c3ccc(CO)cc3)C[C@@H]2O1 2007885378 AISJRBIOXRXFEE-QWRGUYRKSA-N 234.255 0.476 10 10 BCCE NC(=O)C(F)(F)CNCc1ccc(F)cc1O 2024897689 IFIZLRANNCACEG-UHFFFAOYSA-N 248.204 0.742 10 10 BCCE Cc1cccc(O)c1CN1CCO[C@@H]2CNC[C@@H]21 2042627341 RTFJUAXNQORQSA-GXTWGEPZSA-N 248.326 0.873 10 10 BCCE CNCc1ccc(N2CC3(CNC(=O)N3)C2)cc1 2057565999 VUIQCENDAHGFEK-UHFFFAOYSA-N 246.314 0.278 10 10 BCCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H](C2)O3)cc1 2077894252 FOAWGMGWIZUSKE-TXEJJXNPSA-N 248.282 0.647 10 10 BCCE O=C(NC[C@@H]1NC[C@@H]2C[C@@H]21)c1cccc(O)c1O 2078315662 JCLKLSZCPJFJSM-HGNGGELXSA-N 248.282 0.436 10 10 BCCE CN(C)c1ccc(OC[C@@](C)(O)CO)cc1 2211925772 TZVHNONUDGLUJF-LBPRGKRZSA-N 225.288 0.875 10 10 BCCE CN1C[C@@H](O)[C@H](Oc2ccc(N(C)C)cc2)C1 2215970495 TXKSHYUUZHXDNB-CHWSQXEVSA-N 236.315 0.806 10 10 BCCE CN1CCc2cc([C@@](O)(CN)CF)ccc21 2242771783 BLHCYMGOIFLKBX-LBPRGKRZSA-N 224.279 0.795 10 10 BCCE Cn1c(O)cc(=O)n(CCCCN=[N+]=[N-])c1=O 2247171408 QJCBAHFGOOPBCQ-UHFFFAOYSA-N 239.235 0.343 10 10 BCCE OCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1C1CC1 2317061137 CVPDTAJTDMWBRH-ZIAGYGMSSA-N 249.310 0.598 10 10 BCCE N[C@H](CC1(c2ccc(O)c(O)c2)CC1)C(=O)O 1952101411 NFGUCJNVYXKMIR-MRVPVSSYSA-N 237.255 0.931 10 10 BCCE CNC(=O)CN(Cc1ccc(N)cc1)C1CC1 35365981 CUGRHTVTOMLLAZ-UHFFFAOYSA-N 233.315 0.979 10 10 BCCE O=C1N[C@H](C(=O)O)[C@@H](c2ccccc2O)N1 211408055 ZTSRJCUSAKXFKJ-SFYZADRCSA-N 222.200 0.199 10 10 BCCE O=C(O)[C@H]1CC[C@H](c2ccc(O)c(O)c2)N1 75151201 JWEHRWJDKIHKDS-HTQZYQBOSA-N 223.228 0.976 10 10 BCCE COC(=O)[C@@H]1C[C@@]1(N)c1cc(O)c(O)c(O)c1 1952775394 OSYMLNCNCFIAHP-UPONEAKYSA-N 239.227 0.150 10 10 BCCE CN[C@H](c1ccccc1O)P(=O)(O)O 139857550 BXYZLMCRWOMXDQ-QMMMGPOBSA-N 217.161 0.788 10 10 BCCE N[C@]1(c2c(O)cccc2O)C[C@@H]1C(=O)O 1952764406 RAZMKBNWRBUSGY-GPXNAGAYSA-N 209.201 0.356 10 10 BCCE Cc1ccc(/C=C2\C(=O)NN=C2N)cc1 238553754 WPHJSOZPZSPFBZ-TWGQIWQCSA-N 201.229 0.780 10 10 BCCE O=C(NCCNC1CC1)c1ccc(O)c(O)c1 236560522 UCYBKFPUOOVUDA-UHFFFAOYSA-N 236.271 0.580 10 10 BCCE Oc1cc(O)c([C@@H]2CNCCN2)cc1O 238719552 DAVOKAUVVQOAAT-ZETCQYMHSA-N 210.233 0.037 10 10 BCCE COC(=O)[C@@H](N)c1cc(F)c(F)cc1O 95639607 LZPYDJLWHQSQBV-QMMMGPOBSA-N 217.171 0.843 10 10 BCCE COC[C@H](O)[C@H](N)c1cc(C)ccc1O 95807309 KRHHCZAILWJNJP-WDEREUQCSA-N 211.261 0.708 10 10 BCCE Nc1cn[nH]c1NC(=O)c1ccc(O)c(O)c1 236340440 BVVJTXYAKUFUEG-UHFFFAOYSA-N 234.215 0.655 10 10 BCCE COC(=O)[C@@H](N)c1c(C)ccc(N)c1O 95716795 DRRQHXRGXZYVNV-QMMMGPOBSA-N 210.233 0.456 10 10 BCCE CS(=O)(=O)c1cc(O)c(C2(N)CC2)cc1F 258222453 BFSTXOHYHAAIBC-UHFFFAOYSA-N 245.275 0.883 10 10 BCCE O=C1OC[C@@H](CO)N1Cc1ccccc1O 257991102 DMVVCULQRGMTSM-SECBINFHSA-N 223.228 0.705 10 10 BCCE CC(=O)C(=O)COC(=O)[C@H]1CCC=CO1 808545383 YRCDBWKAAVCHEH-SECBINFHSA-N 212.201 0.380 10 10 BCCE COC[C@H](N)[C@H](N)c1ccc(C)cc1O 396692201 FSOWOBPSTMOCIM-GXSJLCMTSA-N 210.277 0.674 10 10 BCCE COCCNC(=O)N(C)CCN=[N+]=[N-] 1957017401 IBXGINIYMOHMAK-UHFFFAOYSA-N 201.230 0.585 10 10 BCCE CN(C)c1ccc2c(c1)C[C@@](O)(CN)CN2C 83110170 CEMZEMRLASOURU-CYBMUJFWSA-N 235.331 0.435 10 10 BCCE Cc1ccc([C@H](N)C(=O)NC[C@H](C)O)c(O)c1 83365933 QDGSFPXFIBTWLP-KWQFWETISA-N 238.287 0.197 10 10 BCCE C[C@@]1(CO)C[C@H](O)CN1CCCN=[N+]=[N-] 703808343 VPKPESKXFNOONU-IUCAKERBSA-N 214.269 0.504 10 10 BCCE Nc1ccccc1N[C@@H]1COCC[C@@H]1O 710895485 RLLQYAWSHOGJGY-MNOVXSKESA-N 208.261 0.831 10 10 BCCE Cc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1CO 698115975 SVSOJNZSVMOMHQ-CHWSQXEVSA-N 237.299 0.419 10 10 BCCE CN1CCN(CCCN=[N+]=[N-])[C@H](CO)C1 699470091 PQXSSSIOHODESW-VIFPVBQESA-N 213.285 0.295 10 10 BCCE COC(C)(C)C[C@](C)(O)C(=O)C(C)=O 1919420768 YRVTZCSTFKQCJD-JTQLQIEISA-N 202.250 0.711 10 10 BCCE CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912161122 FKPOOPAKCXLGDI-RQJHMYQMSA-N 240.267 0.215 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2c[nH]ccc2=O)C1 1912169352 JNYPWMQIUXHIIS-ZETCQYMHSA-N 233.231 0.900 10 10 BCCE [N-]=[N+]=NCC1CCN([C@@H]2COC[C@H]2O)CC1 1912201233 RKBRWBNGBHTSNQ-NXEZZACHSA-N 226.280 0.768 10 10 BCCE Cn1ccc2ccc([C@H](O)[C@H](N)C(=O)O)cc21 1535842901 YITQKRJAFFYKMP-QWRGUYRKSA-N 234.255 0.624 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCC[C@@H](N(C)C)C1 1929192755 JFAOPDUPELDGSZ-MWLCHTKSSA-N 213.277 0.380 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cnsn1 1960524792 DXSCYHWWWQNMCP-RXMQYKEDSA-N 228.237 0.564 10 10 BCCE NC(=O)CCSc1ncc(C=O)s1 1934289038 NUGGTWMYJBRBGW-UHFFFAOYSA-N 216.287 0.923 10 10 BCCE COC(=O)/C=C/c1cc(O)c(O)cc1O 14818118 UDZVELCRMCVKAR-NSCUHMNNSA-N 210.185 0.990 10 10 BCCE CC(C)N1C[C@@H](O)[C@H](N2CC(N=[N+]=[N-])C2)C1 1939815954 MZIDPLHZEQJOQM-NXEZZACHSA-N 225.296 0.434 10 10 BCCE C[C@@H](CC(N)=O)N(C)c1ccc(CN)cc1F 1946068298 UVMKRPKHNCBWCL-QMMMGPOBSA-N 239.294 0.985 10 10 BCCE Oc1cccc(F)c1CNCCc1nc[nH]n1 1964052132 LIMVDJMAYYNFDT-UHFFFAOYSA-N 236.250 0.982 10 10 BCCE Nc1ccc(O)c(CNC(=O)[C@@H]2CCCO2)c1 36737537 CLOBEAKRLBUIIG-NSHDSACASA-N 236.271 0.770 10 10 BCCE COc1cc(OC)c(C(=O)C(C)=O)cn1 1951875358 DPWJXWOQOKNUJC-UHFFFAOYSA-N 209.201 0.871 10 10 BCCE COc1ccc(O)c([C@@H]2NCCN(C)C2=O)c1 1951860252 NOCTZGDJJVUZND-NSHDSACASA-N 236.271 0.504 10 10 BCCE CN(C)c1ccc(CNC[C@@H](N)C(=O)O)cc1 1969419211 WRCFITFASLQMOV-LLVKDONJSA-N 237.303 0.254 10 10 BCCE CC(=O)C(=O)[C@]1(O)CN[C@H]2CCCC[C@H]21 1975312944 GIWBULKQLCVHJU-YWVKMMECSA-N 211.261 0.038 10 10 BCCE C[C@H]1[C@H](O)CN1C(=O)Cc1ccc(N)cc1 1985728022 GMUZYGNZJFZWRE-GZMMTYOYSA-N 220.272 0.403 10 10 BCCE C[C@@H](C(N)=O)N1CCc2cc(CN)ccc21 1988539814 PBVNKPRERRLDOG-QMMMGPOBSA-N 219.288 0.382 10 10 BCCE C[C@H]1C(=O)CCN1C(=O)c1cc(O)nc(O)c1 2004561631 OUNJLSONBIBZJK-LURJTMIESA-N 236.227 0.296 10 10 BCCE CN=c1nncc(NCc2ccccc2O)[nH]1 2012459202 WZRHROPQMCNFJX-UHFFFAOYSA-N 231.259 0.653 10 10 BCCE NC(=O)[C@H]1CCN1c1ccc(C=CC(=O)O)cc1 2028918239 DFZREAAHXCCROP-LLVKDONJSA-N 246.266 0.848 10 10 BCCE N[C@@H](c1ccccc1O)[C@]1(O)CN2CCC1CC2 2031154246 PAVPZZFCAMKDFP-KBPBESRZSA-N 248.326 0.849 10 10 BCCE O=C(N[C@H]1[C@H]2NCCC[C@H]21)c1ccc(O)c(O)c1 2033601932 WDEKQCLKGQQAAD-JFUSQASVSA-N 248.282 0.578 10 10 BCCE C[S@@](=O)CC[S@@](=O)CCCN=[N+]=[N-] 319902651 LEOPIKQZPVJEMC-OLZOCXBDSA-N 223.323 0.814 10 10 BCCE Oc1cccc2c1[C@H](NCCn1ncnn1)CC2 379973502 NOWLCMBOGUEPFE-SNVBAGLBSA-N 245.286 0.656 10 10 BCCE C[C@@]12CC[C@@](C(=O)O)(C(=O)C1=O)[C@@]2(C)CF 2078866780 KZXRQJRICAFYLU-VWYCJHECSA-N 228.219 0.985 10 10 BCCE COc1ccccc1NC(=O)[C@H](O)N=N 2080203941 OICKSUKNFPUWHA-VIFPVBQESA-N 209.205 0.983 10 10 BCCE O=C(N[C@@H]1[C@@H]2CCO[C@@H]21)c1ccc(O)c(O)c1 1907545576 YICJHSBSABYRCR-XROYCOCOSA-N 235.239 0.615 10 10 BCCE NC(=O)NC1CN(CCCc2ccc(N)cc2)C1 2044805165 UFVYWMNJMSPNHS-UHFFFAOYSA-N 248.330 0.554 10 10 BCCE COc1nn(C)cc1[C@H](NN)c1ccccc1O 2048941218 IWSCDTNAQWZCAC-LLVKDONJSA-N 248.286 0.687 10 10 BCCE C[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2N 2065080039 DJWXSSNMZBWJGG-ZANVPECISA-N 245.326 0.957 10 10 BCCE N[C@H]1CCc2cc(N3CCO[C@H](CO)C3)ccc21 2065081109 RVAMADGOBYOJLF-JSGCOSHPSA-N 248.326 0.830 10 10 BCCE [N-]=[N+]=NCCN1C[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@@H]2C1 2215591245 ZAUOQOGXCDGYNL-FJCSBZGASA-N 238.291 0.216 10 10 BCCE COC(=O)C[C@H](N)c1c(O)cccc1[N+](=O)[O-] 1951946867 CXQWLLFCZZQBSR-LURJTMIESA-N 240.215 0.863 10 10 BCCE OCC1(CNCc2ccc(O)cc2O)CC1 118906867 ZAYWQGAZSFRPOR-UHFFFAOYSA-N 223.272 0.960 10 10 BCCE N[C@H](CCCO)c1cc(C(=O)O)ccc1O 309556865 OJKPUOYVRSSIMV-SECBINFHSA-N 225.244 0.863 10 10 BCCE CN[C@@H]1C(=O)Nc2cc(N(C)CCCO)ccc21 305919872 BLHVBGMLQXMEEL-LBPRGKRZSA-N 249.314 0.718 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@H](CO)[C@H](N)C1 1894077860 CBSOIHFSEQEPOQ-DTWKUNHWSA-N 213.285 0.328 10 10 BCCE NC[C@@]1(O)CCCCc2c1ccc(O)c2O 38917830 PYQFSHFCWIHWKZ-LBPRGKRZSA-N 223.272 0.971 10 10 BCCE O=C(O)c1c(O)c(O)c(O)c(F)c1O 39096384 UNZLYWCJNRICRR-UHFFFAOYSA-N 204.109 0.346 10 10 BCCE N[C@H](Cc1ccc(F)c(O)c1O)C(=O)O 212530059 FXMWCMIYZHZLNY-ZCFIWIBFSA-N 215.180 0.191 10 10 BCCE O[C@H]1CNCCN(c2ccc(OCF)cc2)C1 2253101932 ZURSTRPEECPJLI-NSHDSACASA-N 240.278 0.763 10 10 BCCE CC[C@H](NCc1ccc(O)cc1O)C(N)=O 379255835 JBKLOHMEOILDDY-VIFPVBQESA-N 224.260 0.451 10 10 BCCE C[C@@H](NC[C@H](O)C(N)=O)c1cc(F)ccc1O 228616057 ZMADMDDNIYIBKQ-LDWIPMOCSA-N 242.250 0.028 10 10 BCCE Nc1cc(F)cc([C@@H]2COCCN2)c1O 95719082 IZNAZZDLIXYWAU-VIFPVBQESA-N 212.224 0.774 10 10 BCCE Nc1ccc(F)c([C@@H]2COCCN2)c1O 238645672 XPJQMVORADURBJ-QMMMGPOBSA-N 212.224 0.774 10 10 BCCE COc1cc(C)c2c(c1)[C@@](O)(CN)CN2C 527412585 AVSCVNALEKDCLH-GFCCVEGCSA-N 222.288 0.600 10 10 BCCE COc1ccc(N(C)[C@H](CCN)C(=O)O)cc1 2246332754 UVNHEJQZQOQAMU-LLVKDONJSA-N 238.287 0.933 10 10 BCCE N[C@@]1(CO)CCc2cc(F)c(F)c(O)c21 713797452 VSVYOTZAMDYVPE-SNVBAGLBSA-N 215.199 0.763 10 10 BCCE CS(=O)(=O)c1cnn(-c2ccc(N)cc2)c1 725251445 INDMHXMFGJTBSC-UHFFFAOYSA-N 237.284 0.858 10 10 BCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@H]2C=C[C@H]1C2 698706076 YOCONWBFOGXQAQ-NRPADANISA-N 221.264 0.706 10 10 BCCE CSCCS(=O)(=O)NCCCN=[N+]=[N-] 1957151027 AQUKGZXLZJGLJH-UHFFFAOYSA-N 238.338 0.969 10 10 BCCE O=C(O)/C=C/[C@@H]1NCCc2c1ccc(O)c2O 75793648 KLXFEUIHWWQZNP-LXOKAJLYSA-N 235.239 0.925 10 10 BCCE CN(C)c1ccc([C@]2(C)N=C(N)NC2=O)cc1 213095850 ZTEVJZYRAZUFKY-LBPRGKRZSA-N 232.287 0.412 10 10 BCCE Cc1ccc([C@H](N)c2nnc(C=O)o2)c(O)c1 83359456 NMVOPEXKZPQAKS-JTQLQIEISA-N 233.227 0.944 10 10 BCCE C[C@](O)(CN1CC[C@@H](CN=[N+]=[N-])C1)C(=O)O 1912159981 PAVAPKLDRARRPS-CBAPKCEASA-N 228.252 0.454 10 10 BCCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCCCC1 1912186700 GEKGJFLYVDGHKN-UHFFFAOYSA-N 247.324 0.959 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)C1 1912210646 MBVDWRNNEUBJHZ-YUMQZZPRSA-N 237.263 0.281 10 10 BCCE N[C@H](C(=O)O)C1(c2ccc(O)c(O)c2O)CC1 1535835643 NEBNENAYCVCPLD-SECBINFHSA-N 239.227 0.247 10 10 BCCE CN(C)Cc1cc(OCCN)ccc1O 1535712204 QDCGRYOMCUONAK-UHFFFAOYSA-N 210.277 0.791 10 10 BCCE CCOc1ccc(CNC[C@@H](N)CO)cc1C 258966136 LDHSAVVPWHEGPT-GFCCVEGCSA-N 238.331 0.803 10 10 BCCE 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2213586956 DYNDULKXBFKEEU-XLPZGREQSA-N 238.247 0.866 10 10 BCCE C[C@H](Oc1ccc(N(C)C)cc1)[C@H](N)C(N)=O 2215967403 PUINTQLGSPSHDL-KWQFWETISA-N 237.303 0.333 10 10 BCCE CN1CCc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 2219645430 PKZUIXYTPCOVLT-RISCZKNCSA-N 248.326 0.468 10 10 BCCE CCN1C(=O)CC(=O)N(CCN=[N+]=[N-])C1=O 2243058142 FYCISJZKSHJKKT-UHFFFAOYSA-N 225.208 0.498 10 10 BCCE CN1CCCc2cc([C@@H](O)C(N)=O)ccc21 2244425277 TXYYSTQTGVPOAL-LLVKDONJSA-N 220.272 0.588 10 10 BCCE COCCCCC[C@H](NCCN=[N+]=[N-])C(N)=O 2302635280 IVWUZKDUPVPDTH-VIFPVBQESA-N 243.311 0.947 10 10 BCCE CC(C)(CN)[C@@H](O)c1cc(O)c(O)c(O)c1 1952065728 FIKLPAQJRFSINV-JTQLQIEISA-N 227.260 0.822 10 10 BCCE Nc1c(F)ccc([C@@H](N)CC(=O)O)c1O 308772402 UCINXFKOUSCAND-LURJTMIESA-N 214.196 0.588 10 10 BCCE Nc1ccc(C[C@@H]2CNC(=O)CCO2)cc1 213028113 IELKBLXOVPTUMD-LLVKDONJSA-N 220.272 0.716 10 10 BCCE COc1cc(C)cc(CNCC(=O)O)c1O 39193016 GCOORAYKRSEAFB-UHFFFAOYSA-N 225.244 0.883 10 10 BCCE Cn1ccc2sc([C@H](O)CN)c(O)c21 211572496 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225.269 0.661 10 10 BCCE Nc1ccc(-n2ccnc2C(=O)C(=O)O)cc1 75866114 BYAVRDMTMDCEHA-UHFFFAOYSA-N 231.211 0.722 10 10 BCCE CN(C)c1ccc([C@@H]2NCC(=O)N2C)cc1 390422023 KFIXZXTZGGVCBL-GFCCVEGCSA-N 219.288 0.813 10 10 BCCE O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cc(O)cs1 795952401 LGTQRBTXEFLOHQ-QMSLJYSESA-N 225.269 0.828 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1912189047 TUSNSKBFXRLWBF-HTQZYQBOSA-N 237.263 0.424 10 10 BCCE C[C@H]1OCCO[C@H]1C(=O)NCCCN=[N+]=[N-] 1912178938 PIOZQTQASGHACX-HTQZYQBOSA-N 228.252 0.607 10 10 BCCE C[S@@](=O)CC1(C)CN(CCN=[N+]=[N-])C1 1886743490 HMHGRTLVYCUJOY-CQSZACIVSA-N 216.310 0.997 10 10 BCCE CNC(=O)[C@@]1(C)CCN(CCN=[N+]=[N-])C1 230917943 WWWMNOIHGXDKBE-VIFPVBQESA-N 211.269 0.755 10 10 BCCE COC1(CO)CN(c2ccc(CO)c(C)c2)C1 1951072574 IYAZKVDZTRIOMU-UHFFFAOYSA-N 237.299 0.685 10 10 BCCE N[C@@H](Cc1cc(O)c(O)c(Cl)c1)C(=O)O 209736379 NFZXVRVJLHAISS-LURJTMIESA-N 231.635 0.706 10 10 BCCE CS(=O)(=O)N1CC(Nc2ccc(N)cc2)C1 1936489426 QLALFVITORBSFY-UHFFFAOYSA-N 241.316 0.325 10 10 BCCE Cc1ccc(O)c(CN[C@@H]2COC[C@@H]2CO)c1 1942678609 DPYZITPMDJSBGY-NWDGAFQWSA-N 237.299 0.798 10 10 BCCE Nc1ccc(O)c(CNC(=O)c2cnco2)c1 1944221546 JZPXKPDEBKRCQC-UHFFFAOYSA-N 233.227 0.892 10 10 BCCE COC[C@H](N)CC(=O)NCc1ccccc1O 1944259101 PZYUGAWPVGBZCA-SNVBAGLBSA-N 238.287 0.372 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]32)C1 1983233718 KTIHPOJAZFKTKQ-DJLDLDEBSA-N 222.248 0.933 10 10 BCCE C[C@@H](CN)NS(=O)(=O)Cc1ccc(N)cc1 1989360277 CJAUGZOSBOXNFQ-QMMMGPOBSA-N 243.332 0.035 10 10 BCCE COC(=O)[C@H](N)[C@H](C)Oc1ccc(N)cc1 1992473031 RTYTYZUHJSUWCW-OIBJUYFYSA-N 224.260 0.536 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@@H]2C(C(N)=O)[C@H]2C1 1993450419 MNEUKMSIFYEFFV-YUMQZZPRSA-N 223.280 0.740 10 10 BCCE COc1ccc(N2CCNNCC2)cc1C 1995106899 FYDKZUKKKYBXFE-UHFFFAOYSA-N 221.304 0.918 10 10 BCCE Nc1ccc(CNC[C@H]2C[C@H](CO)CO2)cc1 1995958952 AFOCMRYTYHILOR-DGCLKSJQSA-N 236.315 0.756 10 10 BCCE C[C@@H](NC1=NC[C@@H](O)CN1)c1ccccc1O 2017523386 QSZYWHOPRAZVQP-MRVPVSSYSA-N 235.287 0.363 10 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10 10 BCCE CC1(C)COC[C@]1(NCCCN=[N+]=[N-])C(N)=O 313081878 NHQXXNCTWXAUOI-JTQLQIEISA-N 241.295 0.557 10 10 BCCE C[C@@H]1C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 384991540 MMXYEKQROWYKKA-GMEUVTARSA-N 247.298 0.598 10 10 BCCE CC1(C)[C@@H](N)C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1909649982 WSQPMGJFRRFQCZ-KBIXCLLPSA-N 238.331 0.625 10 10 BCCE COc1c(N)nc[nH]c1=NCc1ccc(N)cc1 2053608108 LVWXJLPGDAXCCY-UHFFFAOYSA-N 245.286 0.684 10 10 BCCE Nc1ccc(CC(=O)N2CCC=C[C@@H]2CO)cc1 2061972102 KNCXXSJBMFWJRI-CYBMUJFWSA-N 246.310 0.961 10 10 BCCE Oc1ccccc1CN1CCO[C@@H]2CCNC[C@H]21 2065735134 NBOJGLYGUCYXSO-TZMCWYRMSA-N 248.326 0.955 10 10 BCCE Cc1cccc(O)c1CN(C)CC1(O)CNC1 2250103543 GFOXJSORENTMSN-UHFFFAOYSA-N 236.315 0.467 10 10 BCCE [N-]=[N+]=NCCN1CCC(C2(O)COC2)CC1 2244587921 OQKMXPADOQSWKE-UHFFFAOYSA-N 226.280 0.770 10 10 BCCE [N-]=[N+]=NC1CN(Cc2ncnc3c2OCCO3)C1 2319811575 FKBGYTNKSXCXDZ-UHFFFAOYSA-N 248.246 0.742 10 10 BCCE Nc1ccc2c(ccn2C[C@@H](O)CO)c1 108253506 LBPBTAAQRNXMQN-SNVBAGLBSA-N 206.245 0.577 10 10 BCCE CN(C)c1ccc([C@]2(C)NCCNC2=O)cc1 51925126 MHDUMGRQRLYCCY-ZDUSSCGKSA-N 233.315 0.687 10 10 BCCE COc1ccc(O)c([C@H]2COCC(=O)N2)c1 309332790 XPVWKKFAZHQLAT-SECBINFHSA-N 223.228 0.588 10 10 BCCE COc1cc([C@H](N)C(=O)O)c(O)c(F)c1F 72196433 KOSWXMUZCGQAHE-ZETCQYMHSA-N 233.170 0.763 10 10 BCCE CCCC[C@H](NC(=O)C=[N+]=N)C(=O)OC 33938771 FYWUDMKRXAJRTP-ZETCQYMHSA-O 214.245 0.144 10 10 BCCE Oc1ccc(C2[C@@H]3CNC[C@@H]23)c(O)c1O 1952526508 IJKWKPXREQVGLZ-RNFRBKRXSA-N 207.229 0.736 10 10 BCCE CCN(CCOCCO)c1ccc(CN)cc1 40228772 WUNVXGXGYWAAHZ-UHFFFAOYSA-N 238.331 0.981 10 10 BCCE C[C@@H](O)CN(C)C(=O)[C@@H]1CNc2ccccc2N1 229880570 ARSBVPXHQLWXGW-SKDRFNHKSA-N 249.314 0.732 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cncn1C1CC1 90258159 ONCMAUAKPHMECW-VIFPVBQESA-N 249.278 0.644 10 10 BCCE N[C@@H]1CCOc2c(C(=O)O)ccc(O)c21 238613591 FBEGQFOKWLYENQ-ZCFIWIBFSA-N 209.201 0.873 10 10 BCCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1 234044180 TVMDBBWGJKHDPQ-YNEHKIRRSA-N 236.315 0.638 10 10 BCCE CC1(C)CCC[C@H](COc2nnc(=N)[nH]n2)O1 2213780454 GFEFQUDIIZGRGF-SSDOTTSWSA-N 239.279 0.406 10 10 BCCE COC(=O)[C@H](C)NCc1cc(O)ccc1O 714534332 MWMQLKAPNWEYFY-ZETCQYMHSA-N 225.244 0.749 10 10 BCCE CCS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 725669099 JDNKJEFKLPIGPD-SSDOTTSWSA-N 218.282 0.968 10 10 BCCE O=C1CC[C@@H]([C@@H]2NCCc3cccc(O)c32)N1 83660352 IAVXGYNTRUQXEO-ZANVPECISA-N 232.283 0.858 10 10 BCCE CC[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CO1 711131055 SDOVROFAYNOAAE-IONNQARKSA-N 227.268 0.309 10 10 BCCE COC(=O)[C@](C)(O)CN1CCC[C@H](N=[N+]=[N-])C1 1912183358 ODDFUORTBFRBHB-WCBMZHEXSA-N 242.279 0.685 10 10 BCCE Cn1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)nc1O 1912158496 XUXWTJNROLGOBS-ZCFIWIBFSA-N 236.235 0.651 10 10 BCCE C[C@H](C(=O)N(C)C)N1CC[C@@H](N=[N+]=[N-])C1 1912206804 IKLKHVXAOIQGIM-HTQZYQBOSA-N 211.269 0.848 10 10 BCCE COC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1446331858 KWYUKVKMKUXBKF-MRVPVSSYSA-N 239.271 0.791 10 10 BCCE C[C@H](CCO)N(C)c1ccc2c(c1)NC(=O)[C@@H]2N 1917034762 TZZSMHOXZDWILM-PRHODGIISA-N 249.314 0.846 10 10 BCCE CC(=O)C(=O)[C@]1(O)CCOc2ccccc21 1919429022 GOJFSPTXZQSIJJ-LBPRGKRZSA-N 220.224 0.815 10 10 BCCE Nc1ccc(N2C[C@H]3C(CO)[C@@H]3C2)cc1 1929059612 QCGURHUNBGFHCU-GHMZBOCLSA-N 204.273 0.943 10 10 BCCE OCC1(CNCc2cccc(O)c2O)CC1 168814157 ATNJOJSMDXGVPG-UHFFFAOYSA-N 223.272 0.960 10 10 BCCE COc1cc(OC)c(N(C)CNN)c(OC)c1 259029535 HYOAFXBSHNJLSH-UHFFFAOYSA-N 241.291 0.569 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)c1ccnnc1O 2216437778 GINFAEXLGLJDMX-UHFFFAOYSA-N 236.235 0.955 10 10 BCCE CNCc1ccc(OC[C@H]2CC(=O)N2)c(C)c1 1949343223 OIRLPJKVUIXEOD-LLVKDONJSA-N 234.299 0.982 10 10 BCCE CON1CC[C@@H](NCc2ccc(N)cc2)C1 1981473972 CBHYJNOUUQNDQM-GFCCVEGCSA-N 221.304 0.994 10 10 BCCE O=C1CC(CNC(=O)c2cc(O)nc(O)c2)C1 2005433387 MZOUHAFWVAMSAV-UHFFFAOYSA-N 236.227 0.202 10 10 BCCE CN1C(=O)O[C@@H]2CN(CCCN=[N+]=[N-])C[C@H]21 1983445690 QTEKUHGMWLAJGK-HTQZYQBOSA-N 225.252 0.822 10 10 BCCE C[C@@H]1[C@@H](O)CN1C(=O)c1cccc(O)c1O 1985759226 CBOBDKINEYFAHO-MUWHJKNJSA-N 223.228 0.303 10 10 BCCE NC[C@@H](Nc1c(N)cccc1C(N)=O)C1CC1 2016986778 PHUDQDNCDWLLMN-SNVBAGLBSA-N 234.303 0.517 10 10 BCCE Nc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2022082277 ONUPCOLNTFWACY-KNDHEWATSA-N 234.299 0.589 10 10 BCCE COc1ccc(CNCCn2ncnn2)cc1C 379829229 WNQUDMIXKBSQRN-UHFFFAOYSA-N 247.302 0.780 10 10 BCCE Cn1cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])nn1 691676571 ALKQYVRJILUDMW-ZETCQYMHSA-N 235.251 0.730 10 10 BCCE Nc1ccc(CC(=O)N2CC[C@@H]2C(=O)O)cc1 384700155 PRRQUIDHSQGNLT-SNVBAGLBSA-N 234.255 0.497 10 10 BCCE Nc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1 393837953 PMKRZWOSSBKCSP-VHSXEESVSA-N 234.255 0.606 10 10 BCCE Oc1ccc(CNCc2cncnc2)c(O)c1O 2058469895 JEOXGMUOJVNAPY-UHFFFAOYSA-N 247.254 0.883 10 10 BCCE CCn1nnc([C@H](N)c2ccc(N(C)C)cc2)n1 2077183374 BDYGEEVTMXKZOL-LLVKDONJSA-N 246.318 0.807 10 10 BCCE O=C(N[C@@H]1C[C@@H]2CN[C@H]1C2)c1cccc(O)c1O 2308469622 UDLWRVBOYZLUBZ-FKTZTGRPSA-N 248.282 0.578 10 10 BCCE CN(C)[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1 2572 KLSCNQOSZCDENT-VHSXEESVSA-N 241.243 0.146 10 10 BCCE CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457816 FDIPEZLEPAIQJM-QMMMGPOBSA-N 224.260 0.104 10 10 BCCE NC[C@H](O)c1nccn1-c1ccc(N)cc1 76166645 XWQVUTKLDFRFKT-JTQLQIEISA-N 218.260 0.447 10 10 BCCE N[C@@H](C(=O)NCCO)c1cc(Cl)ccc1O 83373187 RMMQIOZJEFDSSX-SECBINFHSA-N 244.678 0.154 10 10 BCCE CC[C@@](COC)(NCCN=[N+]=[N-])C(N)=O 85224609 LEUPRNNHAKKKJL-QMMMGPOBSA-N 215.257 0.167 10 10 BCCE CS(=O)(=O)CCNCc1cccc(F)c1O 165154055 ZDBHXCQWJKOHGT-UHFFFAOYSA-N 247.291 0.666 10 10 BCCE CCNCCNC(=O)c1ccc(O)c(O)c1 233514399 MCYVJWNFKOYLRU-UHFFFAOYSA-N 224.260 0.437 10 10 BCCE NC(=O)c1c(C(F)F)cc(O)nc1O 238591696 OLBZEGWPPRSUTF-UHFFFAOYSA-N 204.132 0.529 10 10 BCCE CN(C)C[C@@H]1Cc2cccc(O)c2CN1 257876006 REWKUWYOKTYGQC-JTQLQIEISA-N 206.289 0.968 10 10 BCCE Nc1cc(C(=O)NCc2ccccc2O)no1 310084361 MEFZCFMZKJSUNJ-UHFFFAOYSA-N 233.227 0.892 10 10 BCCE CNCc1ccc(N(C)C(CO)CO)cc1 390605295 XJCGARHLJVWHSS-UHFFFAOYSA-N 224.304 0.195 10 10 BCCE CCC(=O)NCCNCc1ccc(O)cc1O 393172418 PFJJFRZHPBQHAQ-UHFFFAOYSA-N 238.287 0.714 10 10 BCCE N=NNC[C-](O)N1CCC2=C=C=C=C=C21 642811766 ZJKHRPSVLAYZPP-UHFFFAOYSA-N 201.209 0.978 10 10 BCCE CCc1cccc(CNOCC(N)=O)c1O 691479976 IYKIIPKNTHWXKE-UHFFFAOYSA-N 224.260 0.461 10 10 BCCE Cc1cccc(CN[C@@H]2CCNC2=O)c1O 693957874 BZWILNXTOLEXNF-SNVBAGLBSA-N 220.272 0.679 10 10 BCCE CNC(=O)N[C@H]1CCCN(CCN=[N+]=[N-])C1 702196067 GOMYXDXZCMCDHB-QMMMGPOBSA-N 226.284 0.690 10 10 BCCE N[C@]1(CO)CCCc2c1cc(O)c(O)c2O 713761826 OKBXWQKWVGGTQY-NSHDSACASA-N 225.244 0.286 10 10 BCCE CN1CCc2cc([C@](C)(O)CN)ccc21 1535880850 SDNSRUICGVJWBQ-GFCCVEGCSA-N 206.289 0.845 10 10 BCCE OC[C@@H]1CNC[C@H]1Cc1ccc(O)c(O)c1 1894510657 WTTCUPYXZAAUPS-ZJUUUORDSA-N 223.272 0.468 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](C)NC(C)=O 1900607494 NOGAHHVKDCKKHD-SSDOTTSWSA-N 227.268 0.670 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1COCCO1 1900609684 QIYZJIBLQHMFHG-QMMMGPOBSA-N 228.252 0.561 10 10 BCCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cnc[nH]1 1900612920 PXSHZRCMWLVCFK-UHFFFAOYSA-N 244.280 0.731 10 10 BCCE O=C(O)[C@@H]1CNC[C@@H]1c1ccc(O)c(O)c1O 1906074128 KQUWUQZEHMFNES-RNFRBKRXSA-N 239.227 0.191 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@@H]2CCO[C@H]21 1909498970 XQGBBIMSXCXKJY-XLPZGREQSA-N 210.237 0.838 10 10 BCCE CN(C)C[C@@H](O)CN1CC[C@H](CN=[N+]=[N-])C1 1912201260 RPMPLEKQTQEGQH-NXEZZACHSA-N 227.312 0.541 10 10 BCCE CN1CCN(CCN2CC[C@@H](N=[N+]=[N-])C2)CC1 1912208734 WDRNNKIOQCXNSQ-LLVKDONJSA-N 238.339 0.618 10 10 BCCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCNC2=O)cc1O 1916795717 SQMHXNPMSSQAAU-LDYMZIIASA-N 249.314 0.737 10 10 BCCE C[C@](N)(c1ccccc1O)C1CS(=O)(=O)C1 1936969978 HPHYQDJNYBNHJJ-LLVKDONJSA-N 241.312 0.611 10 10 BCCE O=C1CN[C@@H](c2cccc(F)c2O)CN1 1951855407 MTDRVGMEYZUFTJ-MRVPVSSYSA-N 210.208 0.292 10 10 BCCE [N-]=[N+]=NCCN=[S@]1(=O)CC[C@H](N)C1 1954208857 URBPVAQQPWBEJJ-IYQDAUBNSA-N 203.271 0.496 10 10 BCCE CC(=O)C(=O)[C@H](O)c1ncccc1Cl 1955971887 DJCICOYTLNYFKI-SECBINFHSA-N 213.620 0.927 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](O)[C@@H]2COC[C@@H]21 1958102687 MEXSAUIFFXJMJJ-VGMNWLOBSA-N 212.253 0.378 10 10 BCCE [N-]=[N+]=NCCCCN1CC(NC(N)=O)C1 1959581030 ICVXIDYWMKJTCD-UHFFFAOYSA-N 212.257 0.429 10 10 BCCE Cc1cccc(O)c1CN[C@@H]1COC[C@@H]1O 1976877407 OMKLMFQHUDZLCA-PWSUYJOCSA-N 223.272 0.550 10 10 BCCE NC[C@]1(O)CCCN(c2ccc(N)cc2)C1 1989331417 NZNHBVGFZWKDRS-GFCCVEGCSA-N 221.304 0.559 10 10 BCCE Cc1ccc(CN[C@H]2CONC2=O)c(O)c1 1994457250 XSMYQPSAVWZETD-VIFPVBQESA-N 222.244 0.220 10 10 BCCE CCC[C@@](COC)(NCCCN=[N+]=[N-])C(N)=O 2001412973 FTDZUYLSXJFBQA-JTQLQIEISA-N 243.311 0.947 10 10 BCCE C[C@H]1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)NC1 2003168420 TYPZXDNUBIAABN-XWLWVQCSSA-N 238.331 0.640 10 10 BCCE N[C@@H]1CC[C@]12C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2004874306 HAJCPPXHMRWHOV-SWIWVBGMSA-N 236.315 0.379 10 10 BCCE CN(Cc1nc(=O)o[nH]1)c1ccc(CN)cc1 2005349254 LWPVBXXTABSWBI-UHFFFAOYSA-N 234.259 0.458 10 10 BCCE C[C@H](N[C@H](CO)[C@@H](C)O)c1ccc(O)cc1O 2005847069 KLBATCPXVKDODX-VAOFZXAKSA-N 241.287 0.490 10 10 BCCE C[C@H]1[C@@H](O)CN1CC(=O)Nc1ccc(N)cc1 2011376684 YSDLVTHLQAXMGV-KWQFWETISA-N 235.287 0.272 10 10 BCCE CO[C@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O 2014581159 DOIAYUAODJLCMC-XCBNKYQSSA-N 237.255 0.863 10 10 BCCE Nc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)cc1 2016099899 IHMKDQKUQFNISS-CYDGBPFRSA-N 234.299 0.732 10 10 BCCE Nc1ccc(CN2CC3(C2)OCCC[C@H]3O)cc1 2041670404 XCOCYNSCISSEPU-CYBMUJFWSA-N 248.326 0.995 10 10 BCCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@H]2C[C@H]21 2049402725 FBFMDKPREUZGSE-ZJUUUORDSA-N 248.282 0.626 10 10 BCCE OCc1cc(CNCc2cccc(O)c2O)[nH]n1 2056565411 DBCTVXUEFIHSGE-UHFFFAOYSA-N 249.270 0.603 10 10 BCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1(CO)CC1 2064887100 KODCYNBTTWYMOR-NSHDSACASA-N 247.298 0.600 10 10 BCCE C[C@H]([C@H](O)c1ccc(N(C)C)cc1)N1CC(N)C1 2068025321 DXXKCJTVVGSPDB-YGRLFVJLSA-N 249.358 0.817 10 10 BCCE O=c1cc(O)n(Cc2c(O)cccc2F)[nH]1 2070217494 LIYZMYKNRSDBBI-UHFFFAOYSA-N 224.191 0.775 10 10 BCCE Nc1ccc(N2CC[C@@H](N3CCNCC3)C2)cc1 2071617493 DIGPLEGDSMHLOK-CQSZACIVSA-N 246.358 0.753 10 10 BCCE Nc1ccc(CCC(=O)N[C@@H]2C=CCNC2)cc1 2071705761 HYIZHWCGFJWJPM-CYBMUJFWSA-N 245.326 0.846 10 10 BCCE NCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1F 2081449171 RAZFLJWYOGQOTQ-UWVGGRQHSA-N 249.289 0.452 10 10 BCCE Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N2)c1O 2084053409 XUWFNANCABLYNO-JTQLQIEISA-N 248.282 0.595 10 10 BCCE Nc1ccc(CCC(=O)N[C@]23CNC[C@@H]2C3)cc1 2223014526 UBQQLSKHFAXOEH-SMDDNHRTSA-N 245.326 0.680 10 10 BCCE CSc1ncc(CNC(=O)CON)s1 2241584458 NXRBOPXFHLNSBW-UHFFFAOYSA-N 233.318 0.372 10 10 BCCE COC[C@@H]1C[C@@H](CN)N(CCCN=[N+]=[N-])C1 2245289490 JZIMBJFKJQSGKA-ZJUUUORDSA-N 227.312 0.982 10 10 BCCE O=C(O)C[C@@H]1NCCc2cc(O)c(O)cc21 39100416 HOSGFTRPZWFLNE-QMMMGPOBSA-N 223.228 0.759 10 10 BCCE Cc1[nH]nc(C(=O)O)c1S(=O)(=O)N=[N+]=[N-] 306450209 BVGARBBORHGAML-UHFFFAOYSA-N 231.193 0.415 10 10 BCCE COc1ccc2c(c1)[C@H]([C@H](N)CO)CN2C 212168137 NPGLCBREOVKXDG-GHMZBOCLSA-N 222.288 0.548 10 10 BCCE CN(Cc1ccc(O)c(O)c1)[C@H]1CCNC1 70892568 AEBZPZJPZYSBAN-JTQLQIEISA-N 222.288 0.892 10 10 BCCE O=C1CCO[C@@H](c2cc(O)nc(O)c2)C1 1952307530 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236.315 0.997 10 10 BCCE CO[C@H](C)CS(=O)(=O)CCN=[N+]=[N-] 2241564241 JZLKLEPSIHQXKZ-ZCFIWIBFSA-N 207.255 0.746 10 10 BCCE C[C@@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1 2249562429 FDEZYWPBDWUNGH-ICCXJUOJSA-N 237.299 0.672 10 10 BCCE CNC(=O)[C@@H](C)N(C)c1ccc(N)cc1 20422557 AUJOPSJRKAUBIW-MRVPVSSYSA-N 207.277 0.840 10 10 BCCE Cn1cc([N+](=O)[O-])cc1C(=O)NCCN=[N+]=[N-] 42012513 ZKVAZIHMRSWNQH-UHFFFAOYSA-N 238.207 0.973 10 10 BCCE COc1cc(N(C)C)ccc1[C@@H](N)CO 72198103 DCRLEFGSRJUQHN-JTQLQIEISA-N 210.277 0.753 10 10 BCCE N[C@H](c1nnc(CO)o1)c1cccc(O)c1O 83364371 ZBSDUJJKVSPOMO-QMMMGPOBSA-N 237.215 0.021 10 10 BCCE CCn1cncc1[C@@H](NCCN=[N+]=[N-])C(=O)O 90256634 BOVHNFVSGKXCLD-MRVPVSSYSA-N 238.251 0.929 10 10 BCCE COc1ccc(CNCCc2nnn[nH]2)cc1C 95331042 MFXGBFNXDFOAEZ-UHFFFAOYSA-N 247.302 0.849 10 10 BCCE COC(=O)C[C@@H](N)c1c(O)cc(O)cc1O 95638240 SJBADEGERSCHET-ZCFIWIBFSA-N 227.216 0.366 10 10 BCCE COc1ccc([C@@H]2CNCCN2)c(O)c1 95690991 PBRPJHJSBWFBNX-JTQLQIEISA-N 208.261 0.635 10 10 BCCE CNCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1 129854963 SKKYEIQGDPLRJX-GFCCVEGCSA-N 249.314 0.097 10 10 BCCE COc1ccc(CN[C@@H](C)CC(N)=O)c(O)c1 161582546 OWQWVGQRTTXUTM-QMMMGPOBSA-N 238.287 0.754 10 10 BCCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](C)CO 167305101 YQVARDDYUPOEMZ-BQBZGAKWSA-N 240.259 0.240 10 10 BCCE Nc1ccc(CCN2CCO[C@@H](CO)C2)cc1 167825751 GBGMZWHBRGTEIG-CYBMUJFWSA-N 236.315 0.504 10 10 BCCE CN1CCNCc2cc3c(cc21)OCCO3 211913237 ORYPXJHCWKFZQK-UHFFFAOYSA-N 220.272 0.997 10 10 BCCE CNCCN(C)c1cc(OC)c(OC)cc1N 214126576 NEWYVSYJVLVZCS-UHFFFAOYSA-N 239.319 0.942 10 10 BCCE C[C@@](N)(CC(=O)O)c1ccc(N)cc1O 238425212 WDGOAQLUBFHUJI-SNVBAGLBSA-N 210.233 0.623 10 10 BCCE CN1C[C@H](N)[C@@H](O)c2cc3c(cc21)OCCO3 250593701 IBXTXJSTFHOSLI-UFBFGSQYSA-N 236.271 0.268 10 10 BCCE N[C@H]1CC[C@@H](c2ccccc2O)NC1=O 257866917 PTWRXQCMGHEHED-IUCAKERBSA-N 206.245 0.671 10 10 BCCE O=C(O)C(=O)c1ccc(F)c(O)c1O 258016733 DFJMPJPNVJUDGY-UHFFFAOYSA-N 200.121 0.504 10 10 BCCE Nc1ccc2c(c1)CCC(=O)N2C(=O)C(=O)O 258917037 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Nc1ccc(CC(=O)NC[C@@H]2NC[C@H]3C[C@@H]32)cc1 2078323249 LDUOBOSSNRDSDX-WXHSDQCUSA-N 245.326 0.535 10 10 BCCE Cc1cc(O)cc(C)c1NS(=O)(=O)CCO 2212510615 LHFWRTUNJMOZCI-UHFFFAOYSA-N 245.300 0.743 10 10 BCCE Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])n1 2213589885 XUPAZFWDIYUJQS-RQJHMYQMSA-N 235.251 0.776 10 10 BCCE O=C(O[C@H]1C=CCOC1)c1cc(O)nc(O)c1 2249245976 RSZJGZAFMGNKKP-QMMMGPOBSA-N 237.211 0.605 10 10 BCCE N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1cccc(O)c1O)C2 2309932016 HEVFYVIXICCXJD-FKTZTGRPSA-N 248.282 0.660 10 10 BCCE N[C@@H]1CCOc2c(CC(=O)O)ccc(O)c21 309268373 YPLXZHXYRWOIFE-SSDOTTSWSA-N 223.228 0.802 10 10 BCCE O=C(O)c1ccc(O)c([C@H]2COCCN2)c1 309354353 RMMBSIUTMYQBDK-SECBINFHSA-N 223.228 0.751 10 10 BCCE NCC[C@H](O)c1ccc(F)c(O)c1O 212254280 PVOQAISHSBHVCD-ZETCQYMHSA-N 201.197 0.619 10 10 BCCE Oc1ccc(CNN2CCOCC2)c(O)c1 214465711 WVJIXWIKVRZZNS-UHFFFAOYSA-N 224.260 0.435 10 10 BCCE NC(=O)C[C@@H]1CCN(c2ccc(N)cc2)C1 690807902 WFEJKQZKPHWYQT-VIFPVBQESA-N 219.288 0.971 10 10 BCCE 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Cc1cc(CN)ccc1N1CC[C@H](O)[C@@H](O)C1 2014959000 BAVYGTLLXRMUSN-STQMWFEESA-N 236.315 0.386 10 10 BCCE COC[C@@H](CO)NC(=O)Nc1ccc(N)cc1 2016890586 OSYARSJCJQIVIS-SNVBAGLBSA-N 239.275 0.398 10 10 BCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@]3(N)C2)cc1 2016982984 JXRWCRJREJAQPV-MFKMUULPSA-N 231.299 0.371 10 10 BCCE NCc1ccc(N2CC[C@H](O)C[C@H]2CO)cc1 2022763739 SWIFYFBQTCBJHT-STQMWFEESA-N 236.315 0.467 10 10 BCCE O=C(N[C@@H]1C[C@H]2CNC[C@H]21)c1cccc(O)c1O 2033982068 XOGBALFTKYRSOV-FXBDTBDDSA-N 248.282 0.436 10 10 BCCE Nc1ccc(NC(=O)CN2CC(CCO)C2)cc1 2034860219 FONILLSDLYGTSN-UHFFFAOYSA-N 249.314 0.522 10 10 BCCE Nc1ccc(CCC(=O)N[C@H]2C[C@H]2C(=O)O)cc1 2039774549 HLIOPXCWBIKQNN-MNOVXSKESA-N 248.282 0.791 10 10 BCCE C[C@@](O)(CO)CNCc1cc(F)cc(F)c1O 708487653 ZTJMXGHKHJNHSR-NSHDSACASA-N 247.241 0.503 10 10 BCCE COCCNC(=O)c1cc(O)c(O)c(O)c1 586737015 ZSHIXCHRAYLJGC-UHFFFAOYSA-N 227.216 0.180 10 10 BCCE O=C(NCc1ccccc1O)[C@]12CNC[C@H]1C2 693266392 CJSKNXXSNRLTSO-ZWNOBZJWSA-N 232.283 0.618 10 10 BCCE 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CCN(CCN=[N+]=[N-])C(=O)c1nnn2c1CCC2 2316601072 OOYBPJXGPGTSGU-UHFFFAOYSA-N 249.278 0.997 10 10 BCCE COCCC(=O)NCc1cc(N)ccc1O 53730778 AALJRJRSJZRLSH-UHFFFAOYSA-N 224.260 0.627 10 10 BCCE CS(=O)(=O)C[C@@H](N)c1cc(F)ccc1O 95770975 YQTCHRZGIMFIIY-MRVPVSSYSA-N 233.264 0.576 10 10 BCCE Nc1ccc(O)c(CN2CCO[C@@H](CO)C2)c1 167822020 MFFTZOGZJPHOIP-LLVKDONJSA-N 238.287 0.168 10 10 BCCE CC(=O)O[C@@H]1O[C@@H](C)C(=O)C[C@H]1N=[N+]=[N-] 205766704 QUQRTDXWIJQVMN-SJIRYBADSA-N 213.193 0.932 10 10 BCCE CCOc1ccc2c(c1)[C@H]([C@H](N)CO)CN2C 212168604 ZAZZOUXRIYHFBP-VXGBXAGGSA-N 236.315 0.938 10 10 BCCE N[C@H](CO)c1cc2c(c(Cl)c1O)OCCO2 217735233 ADLYPPKQHRBTSE-ZCFIWIBFSA-N 245.662 0.809 10 10 BCCE CN1C[C@H](N)C[C@H]1c1ccc(O)c(O)c1 250593107 HYKPPESKPTWWPE-BDAKNGLRSA-N 208.261 0.802 10 10 BCCE CCCNC(=O)C[S@](=O)CCN=[N+]=[N-] 300818024 MINPWURJGSXVQF-CQSZACIVSA-N 218.282 0.572 10 10 BCCE C[C@@H]1N[C@@H](c2cccc(F)c2O)NC1=O 309109282 JDRCSGMGTXZWJP-SSDLBLMSSA-N 210.208 0.638 10 10 BCCE CN(C)CCNCCc1ccc(O)c(O)c1 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239.271 0.337 10 10 BCCE CS(=O)(=O)CC[S@](=O)CCN=[N+]=[N-] 82514550 NJSSICCOQKITJG-LBPRGKRZSA-N 225.295 0.090 10 10 BCCE CC(C)[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CO1 691376609 ADMHCIPCLRUJTM-SCZZXKLOSA-N 241.295 0.555 10 10 BCCE O=C1NCC[C@H]1NCc1ccc(O)c(O)c1 693958295 DIDAHCRQYWNLIA-MRVPVSSYSA-N 222.244 0.076 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H](O)C1 1907817897 ALSHFTPOZCQPEC-SFYZADRCSA-N 235.287 0.693 10 10 BCCE CNC(=O)NC(=O)[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912161119 FKPOOPAKCXLGDI-BQBZGAKWSA-N 240.267 0.215 10 10 BCCE Cc1nc(C(=O)N2CC(N=[N+]=[N-])C2)n[nH]1 1912207380 KQBGIGPEFMKWMY-UHFFFAOYSA-N 207.197 0.248 10 10 BCCE COc1ccc(N2CC(CO)(CO)C2)c(N)c1 1914991560 NLERLIVEXYESCK-UHFFFAOYSA-N 238.287 0.068 10 10 BCCE Oc1ccc(CNn2cnnc2)c(O)c1 1928208623 NFCBPFMJHMIPFK-UHFFFAOYSA-N 206.205 0.433 10 10 BCCE O=C1C[C@@H](NCc2ccccc2O)CN1 230973403 ZRMWXSBYZRWCHN-SECBINFHSA-N 206.245 0.370 10 10 BCCE C[S@](=O)CCNCc1ccc(O)cc1O 124174768 UEOREQNXRCAHOY-OAHLLOKOSA-N 229.301 0.566 10 10 BCCE COc1ccc(N(C)C[C@@H](O)CCN)cc1F 259198265 KFVWLEVAFXKNTM-JTQLQIEISA-N 242.294 0.980 10 10 BCCE OC[C@@H]1COC[C@H]1NCc1ccc(O)c(O)c1 1942679084 GWNUGJNWVXBBFB-NXEZZACHSA-N 239.271 0.195 10 10 BCCE O=C(N[C@@H]1CCONC1)c1cccc(O)c1O 1949592252 QHHYUJSDUWITFC-SSDOTTSWSA-N 238.243 0.121 10 10 BCCE CCOC(=O)[C@@H](N)c1ccc([N+](=O)[O-])cc1O 1951387509 YGVDOABZVCRKBG-VIFPVBQESA-N 240.215 0.863 10 10 BCCE CC1(Oc2cc(O)c(O)c(O)c2)CNC1 1951856562 RFDKLZDGLAGDGP-UHFFFAOYSA-N 211.217 0.544 10 10 BCCE NC[C@@H]1C[C@@H]1Cc1cc(O)c(O)c(O)c1 1952156649 BADLXLRRWDEQHV-YUMQZZPRSA-N 209.245 0.941 10 10 BCCE [N-]=[N+]=NCCCN1CC(n2cc(CN)nn2)C1 2006171456 NTVILVBZCGWCDE-UHFFFAOYSA-N 236.283 0.294 10 10 BCCE COCCC[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003172367 JZIJHJPMOYJHJN-GUBZILKMSA-N 242.319 0.006 10 10 BCCE C[C@@]1(CO)COCCN1Cc1ccc(N)cc1 2003259916 PRMIYONOQFCJQL-CYBMUJFWSA-N 236.315 0.852 10 10 BCCE Cc1ccc(O)c(CN2CC[C@@H](NC(N)=O)C2)c1 271233791 AJYWWPGTFHWFJD-LLVKDONJSA-N 249.314 0.943 10 10 BCCE Nc1ccc(NC(=O)NC2CC(N)C2)cc1 1989299414 BTUPHFOISZSBEZ-UHFFFAOYSA-N 220.276 0.880 10 10 BCCE COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccccc1O 263851988 DBYRNSFYDMSUFD-UWVGGRQHSA-N 249.266 0.818 10 10 BCCE Nc1ccc(OCCCN2C[C@@H](O)CO2)cc1 2004807073 UECVVTMLVVTQMM-LLVKDONJSA-N 238.287 0.646 10 10 BCCE CCn1nnnc1CN1CCC[C@H]1CN=[N+]=[N-] 2009445476 GDPQFTOFUHBRAU-QMMMGPOBSA-N 236.283 0.968 10 10 BCCE OCC(CO)CCNCc1ccc(O)cc1O 2012431480 ACZZARNYKVZUHM-UHFFFAOYSA-N 241.287 0.178 10 10 BCCE Nc1ccc(NC(=O)N2C[C@H]3C(N)[C@@H]3C2)cc1 2016888952 KWEGZGNLNVZVRH-NXEZZACHSA-N 232.287 0.690 10 10 BCCE CN(CCC[C@H](O)CO)Cc1ccccc1O 2017501260 FGCUZMJBNGBDJI-LBPRGKRZSA-N 239.315 0.957 10 10 BCCE CN[C@H](c1ccccc1O)[C@@H]1CN(C)CCN1C 2029561440 UGMXDYIZUYHZMH-GXTWGEPZSA-N 249.358 0.899 10 10 BCCE CN(C)CCONCc1ccc(O)c(O)c1O 379005458 FMLFJKPFHMUZLD-UHFFFAOYSA-N 242.275 0.386 10 10 BCCE NCc1ccc(N2CC[C@H](CC(N)=O)C2)cc1 690753062 HPFIVSHVUVALHM-LLVKDONJSA-N 233.315 0.847 10 10 BCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(C)(O)C1 383954734 CFMFAUHMDIZGBU-VIFPVBQESA-N 249.314 0.662 10 10 BCCE Cn1nc(N)cc1C(=O)NCc1ccccc1O 725161402 ZGNYOLOFHMWOAK-UHFFFAOYSA-N 246.270 0.638 10 10 BCCE OCc1cnn(Cc2c(O)cccc2F)c1O 2070521508 OKYXJLKWESNQPG-UHFFFAOYSA-N 238.218 0.974 10 10 BCCE Nc1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1 1910271665 KTDMJDMFICWTHK-WDEREUQCSA-N 236.271 0.289 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CCc3nncn3C2)C1 2041872095 YPYAVEFBGNNGEN-ZETCQYMHSA-N 247.262 0.362 10 10 BCCE CN1C(=O)O[C@H]2CN(Cc3ccc(N)cc3)C[C@H]21 2056817161 WLMVAXBQXPOGEN-NEPJUHHUSA-N 247.298 0.904 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2C[C@@H]3NCC[C@@H]32)cc1 2071679093 QVIVMJHSIUPPNH-RWMBFGLXSA-N 245.326 0.678 10 10 BCCE CN(C[C@H]1CCN1)C(=O)COc1ccc(N)cc1 2071700172 RKRHJXFPGNEWGE-LLVKDONJSA-N 249.314 0.468 10 10 BCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@H]2CO[C@H]1C2 2249632873 HEXAIHIZIOTHTM-OYNCUSHFSA-N 240.263 0.607 10 10 BCCE O=C(O)c1cn[nH]c(=NCc2ccccc2O)c1 2261028994 QINJRABXMPYZRJ-UHFFFAOYSA-N 245.238 0.914 10 10 BCCE OC[C@@]1(F)C[C@H]1c1ccc(O)c(O)c1O 1952363636 WCROAHMWNUJJIU-WKEGUHRASA-N 214.192 0.991 10 10 BCCE Cc1cccc(CN[C@H]2CNC(=O)C2)c1O 228920171 AECMOYQHVIZPRT-SNVBAGLBSA-N 220.272 0.679 10 10 BCCE NC(=S)CN1C(=O)CSC1=S 83344870 PUZMUQYRIXKOQZ-UHFFFAOYSA-N 206.317 0.133 10 10 BCCE CN1CCc2c[nH]c3c2[C@H]1CC(=O)C3=O 238313108 FHYQNLDFRUPJAP-SSDOTTSWSA-N 204.229 0.699 10 10 BCCE CC(=O)NC1(C)C(=O)c2ccccc2C1=O 238078222 DUDSHYQMLOZSBS-UHFFFAOYSA-N 217.224 0.960 10 10 BCCE O=C(NC[C@H]1CCNC1)c1ccc(O)c(O)c1 236564315 ACDZVCGYDZQSGV-QMMMGPOBSA-N 236.271 0.437 10 10 BCCE COc1ccc(C)c([C@](C)(N)CO)c1O 238363652 VIFOIPQZBZHSKK-LLVKDONJSA-N 211.261 0.875 10 10 BCCE COC(=O)CCC[C@H](N=[N+]=[N-])[C@H](O)CO 238334268 DTVVZLTZLZEBDW-NKWVEPMBSA-N 217.225 0.362 10 10 BCCE COc1ccc(N(C)C(CO)CO)cc1F 258672564 IBSBEFUREGZVCO-UHFFFAOYSA-N 229.251 0.624 10 10 BCCE COC(=O)[C@@H](N)c1cc(F)c(F)c(F)c1O 260347646 LOJGRNDDGQXQIZ-ZETCQYMHSA-N 235.161 0.982 10 10 BCCE CC(=O)C(=O)COC(=O)[C@H]1CCCOC1 808513957 PEFPUKOTJCOUCN-QMMMGPOBSA-N 214.217 0.114 10 10 BCCE CCCCOCC(=O)OCC(=O)C(C)=O 808518625 FCIZKMQFKQENKQ-UHFFFAOYSA-N 216.233 0.504 10 10 BCCE N[C@@]1(CO)CCOc2cc(F)c(F)c(O)c21 713804601 QMMXLGASMRJQAM-SNVBAGLBSA-N 231.198 0.599 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cnc[nH]1 724781837 WIPFGNBDWVBQRY-ZETCQYMHSA-N 224.224 0.825 10 10 BCCE Cn1cc(COc2cc(F)cnc2N)nn1 723436217 SCMHZRUUAVYEED-UHFFFAOYSA-N 223.211 0.510 10 10 BCCE C[C@@H](CC(N)=O)C(=O)N1Cc2cccc(O)c2C1 871205641 WHVYGLYHZKTQMQ-QMMMGPOBSA-N 248.282 0.746 10 10 BCCE CCc1cccc(CNCCC(N)=O)c1O 709401365 OJKWJOUKQRICFM-UHFFFAOYSA-N 222.288 0.920 10 10 BCCE C[C@H](O)[C@H](O)CNCc1cc(F)ccc1O 717338145 CQISQTASOBMCDH-WRWORJQWSA-N 229.251 0.363 10 10 BCCE [N-]=[N+]=NCCCNC1(C(=O)O)CCOCC1 85225078 HEXYXDBTGZVRBI-UHFFFAOYSA-N 228.252 0.910 10 10 BCCE Nc1ccc(CNCC[C@@H](O)CCO)cc1 1904698044 KDNAHPOGNMWQKK-GFCCVEGCSA-N 224.304 0.492 10 10 BCCE N[C@@H]1CC[C@@H]2C[C@]12C(=O)C(=O)C[C@H]1C[C@H](N)C1 1907808815 ZIYBCJYRPGBEET-ADRWDGSASA-N 236.315 0.379 10 10 BCCE CN(CCN=[N+]=[N-])CCN1CCN(C)CC1 1912148522 URLJEVNIYBFCSR-UHFFFAOYSA-N 226.328 0.476 10 10 BCCE CN(CCCN1CCOCC1)CCN=[N+]=[N-] 1912147675 KRIVAQDIYRKAGA-UHFFFAOYSA-N 227.312 0.951 10 10 BCCE Cn1nnc(CN2CCC[C@@H](CN=[N+]=[N-])C2)n1 1912151139 CXOFGHYAZMRWKK-QMMMGPOBSA-N 236.283 0.732 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)Cn2cnnc2)C1 1912210405 JDCUSHXKFBOUSI-SECBINFHSA-N 249.278 0.827 10 10 BCCE N[C@]1(c2ccc(O)c(O)c2O)CC1(F)F 1536084239 YBXDWPKMLGRQII-QMMMGPOBSA-N 217.171 0.996 10 10 BCCE CN(Cc1ccccc1O)CC1(N)COC1 1995323521 RFLHUKOVMNMLQK-UHFFFAOYSA-N 222.288 0.552 10 10 BCCE CC(=O)C(=O)[C@@]1(O)[C@@H](CN)CCC12CCC2 1924822725 MQJLYPXCAVXXLB-SKDRFNHKSA-N 225.288 0.415 10 10 BCCE CN1CCc2cc([C@@H](N)C(CO)CO)ccc21 1927603359 PNDHYEIYRHXGBG-CYBMUJFWSA-N 236.315 0.280 10 10 BCCE CC(=O)C(=O)[C@@](C)(O)[C@@H]1CCCCO1 1929235666 AFUSGAGWWSJSLH-WPRPVWTQSA-N 200.234 0.465 10 10 BCCE CC(C)(CO)[C@H](N)c1ccc(N)cc1O 238123017 OMOGPCYYDBQCQC-SNVBAGLBSA-N 210.277 0.993 10 10 BCCE CNC1CN(Cc2cccc(OC)c2O)C1 1936510663 OXHKWEVPXXPXFB-UHFFFAOYSA-N 222.288 0.804 10 10 BCCE NN[C@@H](c1ccccc1O)[C@H]1COCCO1 1936974222 JMPYRFIGRNKHNJ-MNOVXSKESA-N 224.260 0.312 10 10 BCCE OCCCCNCc1ccc(O)c(O)c1 236499821 WUDPRSZRFSIWIP-UHFFFAOYSA-N 211.261 0.960 10 10 BCCE CN1CCN[C@H](c2cc(O)ccc2O)C1=O 1951869948 STQRAGWDAAQPCV-SNVBAGLBSA-N 222.244 0.201 10 10 BCCE NC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)C1CC1 1967133693 XCNXVMMKLZKRGX-GFCCVEGCSA-N 247.298 0.191 10 10 BCCE [N-]=[N+]=NCC1(CNC(=O)N2CC[C@@H](O)C2)CC1 2006021692 XOBQIBWJFZUDDN-MRVPVSSYSA-N 239.279 0.853 10 10 BCCE C[C@H](N[C@@H]1COC[C@H]1N)c1ccccc1O 1989697209 WQPDTKVQPLTJNJ-JMJZKYOTSA-N 222.288 0.769 10 10 BCCE Nc1c[nH]nc1C(=O)NCc1ccccc1O 2016971506 QSUSAUPJIOIBID-UHFFFAOYSA-N 232.243 0.628 10 10 BCCE Nc1ccc(CC(=O)NC[C@H]2CC[C@H]2O)cc1 2025188038 MVHGMRLUFKVEEF-ZYHUDNBSSA-N 234.299 0.698 10 10 BCCE CCn1nncc1CNCc1cccc(O)c1O 2038829031 ALKODOWLGZHHGR-UHFFFAOYSA-N 248.286 0.999 10 10 BCCE CN1CCc2cc([C@H](O)[C@@H]3OCC[C@@H]3N)ccc21 2044709145 UVZYWNCLAZWTPA-FPMFFAJLSA-N 248.326 0.829 10 10 BCCE O[C@H]1CCCc2cc(N3C[C@@H](O)[C@H](O)C3)ccc21 2065023123 XNLGRZZRSZOAEC-BFHYXJOUSA-N 249.310 0.598 10 10 BCCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1N 2071692499 SBPMCYLAPLTCLN-BXKDBHETSA-N 249.314 0.453 10 10 BCCE COCc1ncc(C(=O)NCCN=[N+]=[N-])n1C 2301007337 UGZNRQSPQZSEAL-UHFFFAOYSA-N 238.251 0.607 10 10 BCCE C[C@@H]1CC[C@@H]([C@H](NCCN=[N+]=[N-])C(=O)O)O1 149724181 BZYQYJKZBRQEPQ-CSMHCCOUSA-N 228.252 0.907 10 10 BCCE C[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O 107452151 PMMFARZOFFGTHC-SSDLBLMSSA-N 212.201 0.647 10 10 BCCE C[C@@H]1[C@@H](N)CCN1C(=O)c1cc(O)nc(O)c1 310096379 VIDCSEQNPFULEP-SVRRBLITSA-N 237.259 0.055 10 10 BCCE [N-]=[N+]=NC[C@@H]1O[C@H](O)C[C@H](N=[N+]=[N-])[C@@H]1O 308692424 MVYWPPRHZUVXFZ-BXKVDMCESA-N 214.185 0.444 10 10 BCCE CN(Cc1ncc[nH]1)C(=O)c1cc(O)nc(O)c1 113012226 JZKQMXXMDLRLSK-UHFFFAOYSA-N 248.242 0.488 10 10 BCCE C[C@@H](N)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 235152632 WTOJWTADPMWVMN-HTQZYQBOSA-N 238.287 0.953 10 10 BCCE COc1ccc([C@H]2CC(=O)N2)c(O)c1O 39096817 OLUGHCHFOAFFMD-ZCFIWIBFSA-N 209.201 0.667 10 10 BCCE CN[C@@H]1CCc2c(ccc(O)c2O)C1=O 39096592 KVQODNTVZFTUMJ-MRVPVSSYSA-N 207.229 0.815 10 10 BCCE COc1ccc(N2CCO[C@H](CO)C2)c(N)c1 213436176 YZWGVLLKGDJCNH-JTQLQIEISA-N 238.287 0.475 10 10 BCCE COc1cc(O)c([C@H](N)C(=O)O)cc1C 212415921 IVYZHCBYJGUPCM-VIFPVBQESA-N 211.217 0.794 10 10 BCCE N[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O 126668112 GJFQUCCEHBLJBJ-RKDXNWHRSA-N 236.271 0.707 10 10 BCCE Cc1nc2ccc([C@H](N)C(=O)O)c(O)c2o1 216205053 YXULPIWJBLEYKO-ZETCQYMHSA-N 222.200 0.926 10 10 BCCE C[C@H](C(=O)NCCN=[N+]=[N-])n1cncn1 42012472 QDJAPKNROWSGSN-ZCFIWIBFSA-N 209.213 0.266 10 10 BCCE OCCN1CCO[C@H]1c1ccccc1O 238696991 CBBJFBXDEUIFQD-NSHDSACASA-N 209.245 0.715 10 10 BCCE NC1(c2cccc(CC(=O)O)c2O)CC1 238567664 YRSPIHMAFZHOIF-UHFFFAOYSA-N 207.229 0.967 10 10 BCCE NC(=O)N1CCC(c2ccc(O)cc2)=N1 238578509 KRSAXICHGJJQJN-UHFFFAOYSA-N 205.217 0.881 10 10 BCCE Cc1cc(N2CC(C(N)=O)C2)ccc1[C@H](C)O 2248962927 OPPPKQSCRFDEGX-VIFPVBQESA-N 234.299 0.970 10 10 BCCE COc1cc(O)c([C@H](N)[C@@H](C)N)c(OC)c1 713748239 NAQAPSFHVFYCIA-KSBSHMNSSA-N 226.276 0.756 10 10 BCCE Cn1ncc(COc2cc(F)cnc2N)n1 723435309 JDCKTWDPVXJUPL-UHFFFAOYSA-N 223.211 0.510 10 10 BCCE C[C@H](CCN)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1899226666 QHKOGMVCDUEJRF-OPRDCNLKSA-N 226.320 0.627 10 10 BCCE NC[C@H]1CN(c2ccc(CO)cc2)CCO1 687812229 NNQSCGGUPZBMGT-LBPRGKRZSA-N 222.288 0.343 10 10 BCCE O=C(O)C(=O)C(=O)c1ccc2ncoc2c1 77327436 GCIAKVGRTANXQR-UHFFFAOYSA-N 219.152 0.664 10 10 BCCE COCCNC(=O)[C@H](N)c1cccc(C)c1O 83365914 LDLIYPOEMCGWDQ-SNVBAGLBSA-N 238.287 0.463 10 10 BCCE Cc1nnc(O)c(C(=O)NCCN=[N+]=[N-])c1C 701318001 XWEHTKNTMKKUTQ-UHFFFAOYSA-N 236.235 0.839 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@H]1CCCCO1 702579734 OSOWBEUXBQCACJ-SFYZADRCSA-N 227.268 0.309 10 10 BCCE COc1ccc(O)c(CN(C)[C@@H](C)C(N)=O)c1 711139434 FBEQLQSHRAOKLK-QMMMGPOBSA-N 238.287 0.706 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCC[C@]12CCNC2 1918265401 VEGRKHXPSALRRO-MNOVXSKESA-N 211.261 0.039 10 10 BCCE OC[C@H](O)c1ccc(N2CCOCC2)cc1 1535718696 OIVIROGEHAMCFX-LBPRGKRZSA-N 223.272 0.549 10 10 BCCE N=C(Nc1ccc(N)cc1)c1nonc1N 5799392 LMVALZLGZNICTH-UHFFFAOYSA-N 218.220 0.671 10 10 BCCE CC(=O)C(=O)C1(O)CC(C2CCOCC2)C1 1938275817 SDJXIDIUOVOBHV-UHFFFAOYSA-N 226.272 0.712 10 10 BCCE CN(CCO)C(=O)CCCCN=[N+]=[N-] 200504905 IPNSJTDHFRWFJS-UHFFFAOYSA-N 200.242 0.918 10 10 BCCE COc1cc(F)c(N(C)C[C@H](O)CN)cc1F 259141920 UQFBTVDJDFEYTD-SSDOTTSWSA-N 246.257 0.729 10 10 BCCE Nc1ccc(O)c(CN2C[C@H](O)C(F)(F)C2)c1 1946687908 QNPVQXSGGIEURD-JTQLQIEISA-N 244.241 0.786 10 10 BCCE COC(=O)[C@H](O)CN1CCC[C@H](N=[N+]=[N-])CC1 1949748541 GIJRLSYWEYCFSQ-DTWKUNHWSA-N 242.279 0.685 10 10 BCCE COc1ccc(N(C)C[C@H](N)CCO)cc1 1975382349 FSJCJEGWOBBAMP-SNVBAGLBSA-N 224.304 0.841 10 10 BCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@@H]2CC[C@H](C1)O2 2010658676 USGKXUJRAYGMBF-DIYOJNKTSA-N 239.279 0.452 10 10 BCCE COc1ccc(N2C[C@H](N)C[C@@H](O)C2)c(N)c1 2016958565 GYQSNGHFBLXPBT-RKDXNWHRSA-N 237.303 0.176 10 10 BCCE C[C@H](NC(=O)C1(N)COC1)c1ccccc1O 2017521182 PJSMCJRTNLRBFO-QMMMGPOBSA-N 236.271 0.297 10 10 BCCE O[C@H]1COC[C@@H]1NCc1ccc2c(c1)CCCO2 2027292218 SEGFWXVCDBHRBG-STQMWFEESA-N 249.310 0.861 10 10 BCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(CO)C1 2031689598 TWPUHTFGDWAUAZ-VIFPVBQESA-N 249.314 0.520 10 10 BCCE N[C@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 382449930 DIRJXBDZTAJTQU-IUCAKERBSA-N 236.271 0.707 10 10 BCCE OCc1ccc(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)cc1 2057892042 MBLKJYYPZIYPIL-UBHSHLNASA-N 249.310 0.622 10 10 BCCE C[C@H]1CNC[C@H](NC(=O)Cc2ccc(N)cc2)C1 2071690629 AFCGFNQHRNYLNP-ZWNOBZJWSA-N 247.342 0.926 10 10 BCCE C[C@H]1C[C@H](Nc2c(N)cccc2C(N)=O)CCN1 2071714394 GSBLVMRBVJLFLH-DTWKUNHWSA-N 248.330 0.920 10 10 BCCE O=C(CN1C[C@@H]2C[C@H](C1)O2)c1ccc(O)c(O)c1 2077858560 UJYQBYICEPNTQO-AOOOYVTPSA-N 249.266 0.754 10 10 BCCE NCCC1CN(C(=O)COc2ccc(N)cc2)C1 2078779791 LADRSYPHXGDCQK-UHFFFAOYSA-N 249.314 0.455 10 10 BCCE CCNCc1cc(OC)ccc1N1CC(O)C1 2214847449 SQTOMCRCMURLSM-UHFFFAOYSA-N 236.315 0.986 10 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10 10 BCCE C[C@H](NCc1ccc(O)c(O)c1)C(=O)O 49352942 IOZASOLZIPQQOH-LURJTMIESA-N 211.217 0.661 10 10 BCCE C[C@@]1(c2cc(O)ccc2O)COCCN1 83345725 YFUTUOXQCJNKLE-NSHDSACASA-N 209.245 0.933 10 10 BCCE CNCc1ccc(N2CCCNC(=O)C2)cc1 87885065 IIPSMUZCIBLXDH-UHFFFAOYSA-N 233.315 0.732 10 10 BCCE NC1(C(=O)NCc2cccc(O)c2O)CC1 83351760 UOCVVCGJFHZAIP-UHFFFAOYSA-N 222.244 0.205 10 10 BCCE NCc1ccc(N2CCO[C@@H](CO)C2)cc1F 135230717 XYCNGJYMVNCTBM-LLVKDONJSA-N 240.278 0.482 10 10 BCCE CC(=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@@H]1N=[N+]=[N-] 196412869 JDKNLDGCJZEWDM-JPCMASIJSA-N 215.209 0.724 10 10 BCCE Oc1ccc(CNCC2CC(O)C2)cc1O 84446193 LYGCGJOLONVNLR-UHFFFAOYSA-N 223.272 0.958 10 10 BCCE COC(=O)C(C(=O)OC)=C(C)CN=[N+]=[N-] 238350837 AGQQABNJKODGGE-UHFFFAOYSA-N 213.193 0.959 10 10 BCCE CCNS(=O)(=O)N(C)Cc1ccccc1O 383910439 FGOSPPPOKGPOOG-UHFFFAOYSA-N 244.316 0.678 10 10 BCCE COc1ccc(N(C)C)cc1[C@H](O)CN 258091034 QEVJYQJWKHDBMQ-SNVBAGLBSA-N 210.277 0.753 10 10 BCCE COC(=O)C1(CS(=O)(=O)N=[N+]=[N-])CC1 2242234859 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BCCE CCC[C@](C)(O)C(=O)OCC(=O)C(C)=O 808529283 DZKRPXLUMCIJIW-JTQLQIEISA-N 216.233 0.239 10 10 BCCE CC(=O)C(=O)COC(=O)[C@H]1CC12CCC2 808525970 KDPZYTHYTHWAFQ-MRVPVSSYSA-N 210.229 0.878 10 10 BCCE CC(=O)C(=O)[C@@]1(O)C[C@H]2C[C@H]1CC2(F)F 1957861088 FRMGSXHQISGYIP-LKEWCRSYSA-N 218.199 0.941 10 10 BCCE CCNC(=O)CC(=O)N1Cc2cccc(O)c2C1 871204631 MSCDESHAYNWKDK-UHFFFAOYSA-N 248.282 0.761 10 10 BCCE CC(=O)C(=O)COC(=O)c1cc(F)ncc1C 885687055 PQXINQOYPFJAFJ-UHFFFAOYSA-N 239.202 0.844 10 10 BCCE NCc1ccc(N2CCn3cnnc3C2)cc1 81530101 ACHWPRFDSIWBMT-UHFFFAOYSA-N 229.287 0.757 10 10 BCCE [N-]=[N+]=NCCN1CC[C@]2(CNC(=O)C2)C1 1959602904 KNSCZIGNYJCAIK-VIFPVBQESA-N 209.253 0.509 10 10 BCCE Oc1cccc(CN[C@]23COC[C@@H]2C3)c1O 718049970 OYFORLBLVZDNSO-JOYOIKCWSA-N 221.256 0.976 10 10 BCCE O[C@@H]1C[C@@H](O)CN(c2ccc(OCF)cc2)C1 2253122045 TVZGCJPDSXSHGW-GHMZBOCLSA-N 241.262 0.924 10 10 BCCE Cn1c(=O)ccn(CCCN=[N+]=[N-])c1=O 697849652 HYRIJBGQBYGKNZ-UHFFFAOYSA-N 209.209 0.247 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1912153169 DYYNGIRPKSMQHZ-YFKPBYRVSA-N 207.197 0.330 10 10 BCCE COc1ccc(-n2nnnc2C[C@H](C)N)cc1 214011638 UJWDOUOLCUCMOK-QMMMGPOBSA-N 233.275 0.561 10 10 BCCE C[C@@H]1[C@H](O)CCN1C(=O)c1cccc(O)c1O 1914392565 FVWIWRKSBPSOFC-VXNVDRBHSA-N 237.255 0.693 10 10 BCCE CC(C)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912188985 SJBVBSOMJOSDJG-MRVPVSSYSA-N 211.269 0.896 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C[C@H](O)CN2CCCC2)C1 1912164131 SJCDXVNDBGCAQK-GHMZBOCLSA-N 239.323 0.828 10 10 BCCE CN(Cc1ccc(N)cc1)C(C)(C)C(N)=O 1915535183 SHEJNNXMBJZKGG-UHFFFAOYSA-N 221.304 0.965 10 10 BCCE CNC(=O)[C@H](C)N(C)CCc1ccc(N)cc1 1916797897 DBRBBUJGWHOWEM-JTQLQIEISA-N 235.331 0.878 10 10 BCCE NC(=O)N1CC(NCc2ccccc2O)C1 1917753777 NTNDMUSEORBPQB-UHFFFAOYSA-N 221.260 0.245 10 10 BCCE Nc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1 1865997094 ROBOTIFKJIVLFG-QMMMGPOBSA-N 223.232 0.009 10 10 BCCE Cc1ccc(O)c([C@@H](C)NC[C@H](O)C(N)=O)c1 228596865 NEEJRHPWYFUJOO-KCJUWKMLSA-N 238.287 0.197 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1c(Cl)cnn1C 1929165615 NXTRAOJTZDPIRS-QMMMGPOBSA-N 216.624 0.265 10 10 BCCE C[C@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(=O)O 168945762 GCYYPEPYPPMLKD-WPRPVWTQSA-N 241.295 0.729 10 10 BCCE C[C@@H](N)c1ccc(N2CC[C@@H]2C(N)=O)c(F)c1 1941836348 IUNZMOJHMPOBJN-RDDDGLTNSA-N 237.278 0.909 10 10 BCCE CNOCc1nc(-c2ccc(O)c(O)c2)no1 1942140829 NHXPZPUVMDGNDI-UHFFFAOYSA-N 237.215 0.799 10 10 BCCE C[C@@H](N=c1ncn(C)[nH]1)c1c(O)cccc1O 1943125198 SPSISBKXGGWZME-SSDOTTSWSA-N 234.259 0.821 10 10 BCCE CN(Cc1ccc(O)cc1O)[C@H]1[C@@H]2CNC[C@@H]21 1944898568 IPFSMWKFSBHCOF-PJXYFTJBSA-N 234.299 0.747 10 10 BCCE CCc1cccc(CNCC[C@@H](O)CO)c1O 1963202329 YASMSTBELOVYFR-GFCCVEGCSA-N 239.315 0.788 10 10 BCCE C[C@@]1(O)CCN(CCN=[N+]=[N-])C[C@@H]1O 1877550862 HWNLGRFIKOOGHO-JGVFFNPUSA-N 200.242 0.114 10 10 BCCE CC(=O)C(=O)c1ccccc1S(N)(=O)=O 1951485005 JIBPZSXJSIAGDU-UHFFFAOYSA-N 227.241 0.106 10 10 BCCE COc1cc([C@H](CO)OC)cc(O)c1O 1951653339 ZQZWZYGGLNIHFI-VIFPVBQESA-N 214.217 0.786 10 10 BCCE 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0.924 10 10 BCCE O=C1CC[C@@H]([C@@H]2CCC(=O)C(=O)C2)CC1=O 101239513 WWPSJDPNHPRPSW-HTQZYQBOSA-N 222.240 0.863 10 10 BCCE Cn1[nH]c(=O)c(=O)nc1SCCCN=[N+]=[N-] 236090858 YYOTWKAMIGDJPF-UHFFFAOYSA-N 242.264 0.261 10 10 BCCE C[C@H](CO)NC(=O)Cc1ccc(N)cc1 35599192 ZKKQBGMYPBZZBD-MRVPVSSYSA-N 208.261 0.308 10 10 BCCE CS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 210692402 ITPXHAFELIQFAD-WDSKDSINSA-N 204.255 0.767 10 10 BCCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(=O)O)CCO1 85223899 GHXNSDLGDAOXQU-APPZFPTMSA-N 228.252 0.909 10 10 BCCE CC(=O)NC1=CCC(=S)C(C(N)=O)=C1 142624234 MTGHBMAXYWBKKS-UHFFFAOYSA-N 210.258 0.192 10 10 BCCE COC(=O)C1(NCCN=[N+]=[N-])CCN(C)CC1 90256786 BOVNDYMCIHJGPH-UHFFFAOYSA-N 241.295 0.524 10 10 BCCE CCN1CC(=O)N(Cc2ccc(N)cc2)CC1=O 94469041 SRDNSLBUUCEEIX-UHFFFAOYSA-N 247.298 0.460 10 10 BCCE CC(=O)C(=O)COC(=O)CCCn1cccn1 808509210 TWZMTIJMKGOKIF-UHFFFAOYSA-N 238.243 0.365 10 10 BCCE CCn1ccnc1/C=C1\CC(=O)NC1=O 395328890 FKLXYNSXWQCMCD-FNORWQNLSA-N 205.217 0.333 10 10 BCCE 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238.295 0.786 10 10 BCCE CCN1CCO[C@H](CN(C)CCN=[N+]=[N-])C1 1912204705 XSMBYJKKIYVPHL-SNVBAGLBSA-N 227.312 0.949 10 10 BCCE CN(C)c1ccc([C@@](C)(O)[C@@H](N)C(=O)O)cc1 1917181283 CFQPLDJRWHUJEN-CMPLNLGQSA-N 238.287 0.372 10 10 BCCE CC(=O)C(=O)[C@@](C)(O)c1ccc(O)cc1 1929118128 SNUUUIZIOGCLMZ-NSHDSACASA-N 208.213 0.758 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1c(F)cncc1F 1929179239 GPNUXDLPHPMRCP-VIFPVBQESA-N 215.155 0.551 10 10 BCCE Nc1ccc(CCCN2C[C@H](O)CO2)cc1 1937396387 OBZCSURFDGQYPY-LBPRGKRZSA-N 222.288 0.810 10 10 BCCE COC(=O)[C@H](NCCO)c1cc(F)ccc1O 1941409326 OAOHSARPQWYEHY-SNVBAGLBSA-N 243.234 0.327 10 10 BCCE C[C@H]1CC(=O)CN1C(=O)c1cccc(O)c1O 1941427359 POYDFHNZSBDTFH-ZETCQYMHSA-N 235.239 0.901 10 10 BCCE COc1cccc(CN2CCN[C@@H]3C[C@H]32)c1O 1946751267 CNILFLQWAZSCSM-GHMZBOCLSA-N 234.299 0.947 10 10 BCCE CC1(N)CC(NC(=O)c2cc(O)nc(O)c2)C1 1947393483 HDMSJDFVBREKTH-UHFFFAOYSA-N 237.259 0.102 10 10 BCCE COC(=O)[C@H]1CCN[C@@H]1c1c(O)cccc1O 1952824878 FMGZFKCRYQCGNT-CPCISQLKSA-N 237.255 0.921 10 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O=C(N[C@@H]1C[C@H]2COC[C@@H]21)c1cccc(O)c1O 2027340039 CSNAHNPTRSDODT-UJNFCWOMSA-N 249.266 0.863 10 10 BCCE Nc1ccc(CN(C2CC2)[C@H]2COC[C@@H]2O)cc1 2038077183 VLHBHVXZROMAEU-KBPBESRZSA-N 248.326 0.993 10 10 BCCE NCc1ccc(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)cc1 2053120518 YIDYGQPQRGCEIN-FMKGYKFTSA-N 248.326 0.466 10 10 BCCE Nc1ccc(CCC(=O)NCCC2CNC2)cc1 2071684446 JAJFSFNIABZYLS-UHFFFAOYSA-N 247.342 0.927 10 10 BCCE COC(=O)c1cccc(N)c1N[C@H]1[C@@H]2C[C@@H]1CN2 2071713374 KFZSOXJROVIBCA-PPKCKEKNSA-N 247.298 0.828 10 10 BCCE COc1ccc(N2CCNC(=O)[C@H]2C)c(C=O)c1 2220423181 JNZSUJQUGRZPHU-SECBINFHSA-N 248.282 0.832 10 10 BCCE Cc1cc(N2CC(NC(N)=O)C2)ccc1[C@@H](C)N 2257458869 PMZTVLZZOCWXSR-SECBINFHSA-N 248.330 0.872 10 10 BCCE COC(=O)[C@H](N)CN(C)Cc1ccccc1O 2303547345 SFRMCWIQKZXPFX-SNVBAGLBSA-N 238.287 0.324 10 10 BCCE CC(=O)N[C@H](C(=O)O)c1ccccc1O 38386928 CMSFPXXGASWVLF-VIFPVBQESA-N 209.201 0.654 10 10 BCCE C[C@H](OC(=O)CCc1ccc(N)cc1)C(N)=O 41101799 AKUBQXYIAHIRGB-QMMMGPOBSA-N 236.271 0.618 10 10 BCCE CN(C)c1ccc([C@H](CN)N2CCNCC2)cc1 41302319 ZPYQILAMVSIQTN-AWEZNQCLSA-N 248.374 0.658 10 10 BCCE Nc1ccc(N[C@@H]2CCCNC2=O)cc1 50397329 LGCWHAKPJACRQL-SNVBAGLBSA-N 205.261 0.959 10 10 BCCE C[C@@H](O)CN(C)c1cc2c(cc1N)OCCO2 51819660 XPRUEXRYPMGXFI-MRVPVSSYSA-N 238.287 0.857 10 10 BCCE Nc1ccc(NC(=O)CN2CC[C@H](O)C2)cc1 61709525 DURCWWHWVLZAFC-NSHDSACASA-N 235.287 0.274 10 10 BCCE Nc1ccc(N2C(=O)NC3(CC3)C2=O)cc1 83833685 GNRWTVSOTVAUOL-UHFFFAOYSA-N 217.228 0.858 10 10 BCCE CN(C)CCc1ccc(O)c([C@H](N)C(=O)O)c1 212445576 IFUVYHMFUNCOSH-NSHDSACASA-N 238.287 0.581 10 10 BCCE Cc1cc(O)c(O)c(C[C@@H](N)C(=O)O)c1 238471303 RXRHAEHBWZPRGZ-SSDOTTSWSA-N 211.217 0.361 10 10 BCCE Cc1cc(O)c(CNC[C@H](O)CO)cc1C 381426954 ZCQVTHAXLHSDFZ-NSHDSACASA-N 225.288 0.452 10 10 BCCE Cn1c(=O)ccn(C/C=C\N=[N+]=[N-])c1=O 383696992 DWDSVCNHPYAUQC-RQOWECAXSA-N 207.193 0.371 10 10 BCCE COc1cccc(CNCc2nnnn2C)c1O 389303302 JXAJMKHUHKPEBA-UHFFFAOYSA-N 249.274 0.214 10 10 BCCE CCOC(=O)C(=O)[C@@H](N)c1ccccc1O 396526771 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COc1ccc(O)c([C@@H]2CNCCN2)c1 95690989 VFGHKEXPGMNOEA-JTQLQIEISA-N 208.261 0.635 10 10 BCCE CN(Cc1ccccc1O)C(=O)c1nnn[nH]1 95040373 VQKGAFQGRLOSLY-UHFFFAOYSA-N 233.231 0.178 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1CCC=CO1 808545384 YRCDBWKAAVCHEH-VIFPVBQESA-N 212.201 0.380 10 10 BCCE N[C@H](c1ccc(O)c(O)c1O)[C@H](N)C1CC1 713828690 LNIWGFQXUFANNZ-RKDXNWHRSA-N 224.260 0.541 10 10 BCCE COc1cccc([C@@H](N)[C@](C)(O)CO)c1O 713780669 BRFIQQIBQAPHNQ-GHMZBOCLSA-N 227.260 0.144 10 10 BCCE Nc1ccc(-n2cc([C@H]3COCCN3)nn2)cc1 849134796 PPDDOKIVKVHSGJ-GFCCVEGCSA-N 245.286 0.510 10 10 BCCE Nc1ccc(NS(=O)(=O)CCCCO)cc1 689057101 RWMWLOILEWVAHA-UHFFFAOYSA-N 244.316 0.783 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 860136096 WNMYKPPRTNHTQB-CNABLZDZSA-N 242.271 0.747 10 10 BCCE N[C@H](c1nnc(C=O)o1)c1ccc(O)cc1O 83361750 WGIAXVLZGXLLBS-VIFPVBQESA-N 235.199 0.341 10 10 BCCE Cn1cc(CCN2CC(N=[N+]=[N-])C2)nn1 1960020920 AFDFGALOKNPKIA-UHFFFAOYSA-N 207.241 0.352 10 10 BCCE Cc1cccc(CNC2CN(C(N)=O)C2)c1O 1917764326 LAERJHOWCKGYFV-UHFFFAOYSA-N 235.287 0.553 10 10 BCCE CN(CCCCN=[N+]=[N-])[C@H]1COC[C@H]1O 1912182423 BKRCAVPSAMOMAD-DTWKUNHWSA-N 214.269 0.768 10 10 BCCE [N-]=[N+]=NC1CN(C[C@H]2CC(F)(F)C(=O)N2)C1 1903448616 RYLNCXADJNAUAA-RXMQYKEDSA-N 231.206 0.505 10 10 BCCE Cc1cc(O)nc(CN2CC(N=[N+]=[N-])C2)n1 1912150558 VGWGPHMFBZKBFC-UHFFFAOYSA-N 220.236 0.985 10 10 BCCE [N-]=[N+]=NC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 2248224324 ZDTJBQGFMWNJJC-SFYZADRCSA-N 237.263 0.409 10 10 BCCE CNC(=O)CN(c1ccc(CN)cc1)C1CC1 34655414 HKEWROFSNLIGGJ-UHFFFAOYSA-N 233.315 0.860 10 10 BCCE [N-]=[N+]=NCCN1C[C@@]2(CCOC2)CC1=O 1961283825 WQHOWJJGQJOPNR-SECBINFHSA-N 210.237 0.936 10 10 BCCE C[C@H](NCc1ccc(N)cc1)c1nc(O)n[nH]1 1944077346 DZICZQMOPGFFKC-ZETCQYMHSA-N 233.275 0.943 10 10 BCCE Oc1cccc(F)c1CNCCn1cncn1 1964033338 SPSSFVQEJJNKRN-UHFFFAOYSA-N 236.250 0.913 10 10 BCCE COc1ccc(N2CCNNCC2)c(F)c1 1977732428 UTBKDVQCRCBERC-UHFFFAOYSA-N 225.267 0.749 10 10 BCCE CO[C@H](CCO)CNCc1ccc(N)cc1 1980262153 KTMZZYYBGHBLTO-GFCCVEGCSA-N 224.304 0.756 10 10 BCCE CC1([C@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 1980375609 AXFCWLYGRYGKSB-SOCHQFKDSA-N 224.304 0.379 10 10 BCCE COc1ccc(N2CC3(CCN3)C2)c(N)c1 1989333762 DTAYWINMJVZZRS-UHFFFAOYSA-N 219.288 0.830 10 10 BCCE Nc1ccc(OCCN2CCOCCO2)cc1 2021450512 IGBQFSQCVOULBW-UHFFFAOYSA-N 238.287 0.911 10 10 BCCE NN[C@H](c1ccccc1O)c1cnnn1C1CC1 2036393113 IZGVSORJUYFISK-GFCCVEGCSA-N 245.286 0.871 10 10 BCCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 300903575 JDXKBYNZSYDSDD-OEZYJKACSA-N 208.265 0.998 10 10 BCCE OCC[C@@H](CO)NCc1c(O)cccc1Cl 309572486 NMIVOPMJKWUGGF-QMMMGPOBSA-N 245.706 0.879 10 10 BCCE COc1ccc(CN[C@@H]2COC[C@@H]2O)c(O)c1 323727836 VXKOFGBQOSXUIE-PWSUYJOCSA-N 239.271 0.250 10 10 BCCE Nc1ccc(O)c(CNC(=O)c2cnc[nH]2)c1 709735426 CNGXWBGERFTWRJ-UHFFFAOYSA-N 232.243 0.628 10 10 BCCE CN(C)C[C@]1(O)CCN(c2ccc(CN)cc2)C1 713651197 RVWLMKROZCLARD-CQSZACIVSA-N 249.358 0.648 10 10 BCCE COC1(C)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 382958765 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VFPDYCKLWQXAGV-UHFFFAOYSA-N 208.168 0.649 10 10 BCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2308771731 SAUUGEINYDWTBA-SCUASFONSA-N 248.326 0.384 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](O)[C@H]1C2 2309924279 KXMXDZUJOPDOLY-NMLBEHRDSA-N 249.266 0.693 10 10 BCCE NC(=O)[C@@H]1CN(Cc2ccc(N)cc2)CC12CC2 2321093687 PCYDPHLIRPDHLW-LBPRGKRZSA-N 245.326 0.966 10 10 BCCE COc1ccc(CN[C@@H](C)C(N)=O)c(O)c1 40906151 JODUCLRAGQATIE-ZETCQYMHSA-N 224.260 0.364 10 10 BCCE CN(C)[C@H]1c2c(O)cccc2OC[C@@H]1N 82944945 BNDJYVIVNUWNPY-WRWORJQWSA-N 208.261 0.715 10 10 BCCE NC1(C(=O)NCc2ccc(O)c(O)c2)CC1 83351759 YYSRSZFQWXHROT-UHFFFAOYSA-N 222.244 0.205 10 10 BCCE N[C@@H](c1cccc(O)c1O)C(F)(F)C(=O)O 95777651 NLLADLWIZLXGMH-ZETCQYMHSA-N 233.170 0.818 10 10 BCCE CC(=O)O[C@H]1C[C@H]2CO[C@@H](O2)[C@H]1N=[N+]=[N-] 149877632 IMISHQCJAOXEOA-XAMCCFCMSA-N 213.193 0.742 10 10 BCCE C[C@H](CNCc1ccccc1O)C(N)=O 162954112 CRQJKFDZWPAVEV-MRVPVSSYSA-N 208.261 0.603 10 10 BCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCOC1 227027330 LLHBWIVSQFQYAB-VIFPVBQESA-N 237.255 0.959 10 10 BCCE CCOC[C@@](C)(NCCN=[N+]=[N-])C(N)=O 230069889 DFVPQQSBDFNVBB-MRVPVSSYSA-N 215.257 0.167 10 10 BCCE Oc1ccc(CNC[C@H](O)C(F)F)c(O)c1O 236515645 RIIXFNYYSZKFBC-ZETCQYMHSA-N 249.213 0.519 10 10 BCCE C[C@H]1Oc2ccc(N(C)CO)cc2NC1=O 258984122 WUXBEVXAUZNQHV-SSDOTTSWSA-N 222.244 0.792 10 10 BCCE COc1ccc(N2CC[C@](N)(C(=O)O)C2)cc1 259320065 MTAFTITYWLNGMT-GFCCVEGCSA-N 236.271 0.687 10 10 BCCE C[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 300109967 QTXVSLJGNCBTPB-WCQYABFASA-N 247.298 0.600 10 10 BCCE [N-]=[N+]=N[C@@H]1C[C@]23C[C@H]2C[C@H](CO)N3C1=O 308699050 VZOZPAFNPBIGBR-JXOAFFINSA-N 208.221 0.421 10 10 BCCE C[C@@](N)(CCO)c1cc(C(N)=O)ccc1O 309205350 PLIJWTCEEJAXPU-LLVKDONJSA-N 224.260 0.047 10 10 BCCE CN(Cc1cnn(C)n1)c1ccc(CN)cc1 379912288 NBBXEHYUXUWAOJ-UHFFFAOYSA-N 231.303 0.910 10 10 BCCE C[C@@H](N)[C@@H](C)NC(=O)c1cccc(O)c1O 381742800 MHLUUOONFGAYSW-RNFRBKRXSA-N 224.260 0.563 10 10 BCCE O=C(N[C@H]1[C@@H]2C[C@@H]1CN2)c1ccc(O)c(O)c1 400518565 NSEAAVVXQKJIHQ-VHSKPIJISA-N 234.255 0.188 10 10 BCCE CO[C@H](CCN)C(=O)NCc1ccccc1O 401189509 HMGATUWADSOGFF-LLVKDONJSA-N 238.287 0.372 10 10 BCCE CO[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 689880389 MNFBDYDPVNZNLG-VXGBXAGGSA-N 234.299 0.962 10 10 BCCE C[C@](O)(C(=O)O)[C@H](N)c1cc(F)ccc1O 713760129 KLBHNXIZQVZSMU-PSASIEDQSA-N 229.207 0.367 10 10 BCCE O=C(NC[C@H]1C[C@@H](O)C1)c1ccc(O)c(O)c1 720928390 MZFJCHUVYVRTBN-OTSSQURYSA-N 237.255 0.599 10 10 BCCE COc1cc(CN2CCNCC2)cc(O)c1O 1535817697 MUWLWLMRZOHXLO-UHFFFAOYSA-N 238.287 0.512 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912173767 QMXRUWCYUPBDJV-IONNQARKSA-N 239.279 0.670 10 10 BCCE NC[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 1940985996 DNTYQRSCNBDYPW-OTSSQURYSA-N 236.271 0.565 10 10 BCCE C[C@H]1CCN(c2ccc(CN)cc2)[C@H]1C(N)=O 1942613185 MPVAXMZMFFHKNG-JOYOIKCWSA-N 233.315 0.845 10 10 BCCE C[C@H](N=c1ncn(C)[nH]1)c1c(O)cccc1O 1943125199 SPSISBKXGGWZME-ZETCQYMHSA-N 234.259 0.821 10 10 BCCE Cc1cc(CO)ccc1N1CC(OCCO)C1 1946922520 KNUBIRQHSKBCTL-UHFFFAOYSA-N 237.299 0.685 10 10 BCCE Oc1cccc([C@@H]2C[C@@H](O)CCN2)c1O 1952081397 NLLRBXBIPFYOKG-CBAPKCEASA-N 209.245 0.883 10 10 BCCE C[C@H]1C[C@]1(C(=O)O)c1cc(O)nc(O)c1 1952535382 OJLLSCVRTLZVRL-XUOSJQGZSA-N 209.201 0.855 10 10 BCCE Oc1ccc(CN[C@@H]2CC[C@@H]2O)c(O)c1 1958968730 BPTPYMYULRWAFV-ZJUUUORDSA-N 209.245 0.711 10 10 BCCE CO[C@H](CO)CN[C@H]1CCc2cccc(O)c21 1964493706 MOHPMIAVSDPVIM-QWRGUYRKSA-N 237.299 0.976 10 10 BCCE CON(CCN)C(=O)Cc1ccc(N)cc1 1989366022 FNZKKBMLYHGVRG-UHFFFAOYSA-N 223.276 0.160 10 10 BCCE CN1CCc2cc([C@@H](N)c3cnn[nH]3)ccc21 1999506312 CZQNILMKFANLQI-GFCCVEGCSA-N 229.287 0.845 10 10 BCCE COc1ccc(O)c(CN2C[C@@H]3C(N)[C@H]3C2)c1 2000280714 XGUJJFKHWQMIEX-QWRGUYRKSA-N 234.299 0.790 10 10 BCCE OCC1(O)CN(c2ccc3c(c2)CC[C@H]3O)C1 2012707615 WYIVUNSZXCKHKR-GFCCVEGCSA-N 235.283 0.210 10 10 BCCE COc1ccc(N(C)C[C@H](O)CC(=N)N)cc1 2024775850 IWTFUGKFDIJJLO-SNVBAGLBSA-N 237.303 0.818 10 10 BCCE Oc1cccc2c1[C@@H](NCCn1cnnn1)CC2 2029967705 VFNCMNUZSZXUKC-JTQLQIEISA-N 245.286 0.656 10 10 BCCE Oc1ccc(F)cc1CNC1(c2nn[nH]n2)CC1 2033668821 ZRXQBOBXJOPBGX-UHFFFAOYSA-N 249.249 0.823 10 10 BCCE CO[C@@H]1CN(c2ccc(CN)cc2)[C@@H]2COC[C@@H]12 2040557750 GFLSMLXZNUCRGL-MGPQQGTHSA-N 248.326 0.995 10 10 BCCE Nc1ccc(CC(=O)NC[C@@H]2[C@@H]3CCO[C@H]32)cc1 2056405465 LWWZYPXDBMYRHI-OUCADQQQSA-N 246.310 0.962 10 10 BCCE NC(=O)C1CN(c2ccc3c(c2)CCC[C@H]3N)C1 2065031370 STVZBWPVJWEXJU-CYBMUJFWSA-N 245.326 0.944 10 10 BCCE Nc1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 2071625631 WGJJLYHZOMHNKH-NWDGAFQWSA-N 246.314 0.017 10 10 BCCE Nc1ccc(OCC(=O)N2C[C@H]3[C@@H](N)[C@H]3C2)cc1 2071708702 DSXKYBSTSLTGSS-PTEHBNRSSA-N 247.298 0.063 10 10 BCCE Cc1ccccc1COc1nnc(=N)[nH]n1 2210643859 MQHJCRMVKWEVEN-UHFFFAOYSA-N 217.232 0.567 10 10 BCCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@@H](O)C1 2217379584 VTCMZZQKAPUFJP-ICCXJUOJSA-N 236.315 0.557 10 10 BCCE C[C@@H](CO)C(=O)NCCOc1ccc(N)cc1 2246503847 NYCPAOGJQXZGAO-VIFPVBQESA-N 238.287 0.392 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CCCC(=O)N1 2300530985 ZIMMNXGDBKFWEN-QMMMGPOBSA-N 239.279 0.814 10 10 BCCE [N-]=[N+]=NCCCNS(=O)(=O)C(F)F 42013307 LIIRAFCFFKTNPP-UHFFFAOYSA-N 214.197 0.829 10 10 BCCE C/C(CC(=O)O)=C1/SC(=S)NC1=O 306562201 ODBDUSVEOPYOGH-HYXAFXHYSA-N 217.271 0.883 10 10 BCCE N[C@H]1CC(=O)N[C@H](c2ccccc2O)C1 107147473 GBIXLFXJYSUGNU-APPZFPTMSA-N 206.245 0.671 10 10 BCCE N[C@H](CO)c1cc(Cl)c(O)c(F)c1O 216186885 HROUXQBZZFBRDX-RXMQYKEDSA-N 221.615 0.882 10 10 BCCE O=C(O)Cc1nnc2cccc(F)c2n1 212355543 WSKVOESTKZLBRM-UHFFFAOYSA-N 207.164 0.791 10 10 BCCE C[C@H](N)CCC(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863226 ADTSRSHVMMQUNA-CIUDSAMLSA-N 212.293 0.379 10 10 BCCE CCOC(=O)N1CC[C@H](N=[N+]=[N-])[C@H](O)C1 34122491 BUBAUGPFPFBLQM-NKWVEPMBSA-N 214.225 0.888 10 10 BCCE O=C1NC(=S)SC1=Cc1ncc[nH]1 1911604699 LTZDKRLBKUVPHE-UHFFFAOYSA-N 211.271 0.899 10 10 BCCE CNC(=O)[C@H](N)c1ccc(N(C)C)cc1 77300457 JDIWWDBVCJVPED-SNVBAGLBSA-N 207.277 0.498 10 10 BCCE NCc1ccc(N2CC[C@H](O)C2)c(N)c1 82640380 RVHIFPMQKBPXRS-VIFPVBQESA-N 207.277 0.299 10 10 BCCE CCS(=O)(=O)c1ccc(C(=O)C=[N+]=[N-])cc1 84536234 NXPPBNBRERYXQO-UHFFFAOYSA-N 238.268 0.964 10 10 BCCE O=C(Cn1ccnn1)NCc1ccccc1O 133941297 VHWLIUNHFCNWAO-UHFFFAOYSA-N 232.243 0.300 10 10 BCCE CC(C)[C@H](NCc1ccccc1O)C(N)=O 223956936 TWGPQMNODHTUAE-NSHDSACASA-N 222.288 0.992 10 10 BCCE NC[C@H](N)c1c([N+](=O)[O-])ccc(Cl)c1O 95714108 VRFFMZQLFLZTLE-YFKPBYRVSA-N 231.639 0.912 10 10 BCCE COC(=O)C[C@H](N)c1cc(OC)ccc1O 95638309 XODAKWDPMBJTNF-VIFPVBQESA-N 225.244 0.964 10 10 BCCE O=C(O)[C@H](O)c1c(Cl)ccc(O)c1O 258047998 BYKQKYPDIHTXJZ-SSDOTTSWSA-N 218.592 0.869 10 10 BCCE COC(=O)[C@H](N)c1cccc(CO)c1O 259948566 ACQWDNMCXHMBRE-MRVPVSSYSA-N 211.217 0.057 10 10 BCCE C[C@@H](O)[C@H](N)c1c(C(=O)O)ccc(F)c1O 390235438 KJTPEICHLRXKOJ-VHWMUFPASA-N 229.207 0.610 10 10 BCCE [N-]=[N+]=NCCN1C[C@H](C(F)F)[C@@H](N)C1 1957244165 NHHONJQTQYAJRD-WDSKDSINSA-N 205.212 0.821 10 10 BCCE COc1ccc(C(=O)C(=O)C(=O)O)cc1F 77339698 FUHPXJAVNQHLQY-UHFFFAOYSA-N 226.159 0.671 10 10 BCCE Oc1c(CN2CCNCC2)ccc2ncoc12 216879320 AGYIXVJDCJNLRF-UHFFFAOYSA-N 233.271 0.939 10 10 BCCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@@]2(C(N)=O)C1 1912147965 NILDTJYGRDDZGI-PSASIEDQSA-N 223.280 0.884 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)NC2CC2)C1 1912207385 KSAWTPIBWMBLNS-MRVPVSSYSA-N 209.253 0.650 10 10 BCCE CON1CCN(Cc2ccc(N)cc2)CC1 1915777695 ZUPMUKJXBSVGRP-UHFFFAOYSA-N 221.304 0.948 10 10 BCCE O[C@H]1CNCCN(c2ccc3c(c2)OCO3)C1 211616947 KQQDRUKDXZKRAJ-JTQLQIEISA-N 236.271 0.186 10 10 BCCE CON(Cc1ccccc1O)C1CNC1 1961139874 HZMGVXRNYDZMFY-UHFFFAOYSA-N 208.261 0.727 10 10 BCCE COC(=O)c1ncn(CCc2ccc(N)cc2)n1 167359881 TXRRQNBNTTXBEK-UHFFFAOYSA-N 246.270 0.890 10 10 BCCE CCN(CCN=[N+]=[N-])[C@@H]1COC[C@H]1O 1887717083 FXVWJFSOYNUKRT-HTQZYQBOSA-N 200.242 0.378 10 10 BCCE Cc1cn(CCNCc2ccc(N)cc2)nn1 1945484646 YBTKAGMUZPOUJM-UHFFFAOYSA-N 231.303 0.959 10 10 BCCE C[C@H](NC(=O)N(C)c1ccc(N)cc1)C(=O)O 1950868106 WIIIKSMBIYSJAA-ZETCQYMHSA-N 237.259 0.888 10 10 BCCE C[C@H](N[C@H](CO)[C@@H](C)O)c1ccc(F)cc1O 2005848381 VDBGMMVNMCKSAU-VAOFZXAKSA-N 243.278 0.924 10 10 BCCE CC1(NC(=O)c2ccc(O)c(O)c2)COC1 1988266317 LOMUTHNOWRIOGS-UHFFFAOYSA-N 223.228 0.617 10 10 BCCE CCC(CO)(CO)NCc1c(O)cccc1F 1997965703 ZFFBUKKLLVOUBZ-UHFFFAOYSA-N 243.278 0.754 10 10 BCCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CC[C@H]1N 1998367700 MXGLGGUNFRCNSY-RKDXNWHRSA-N 236.271 0.660 10 10 BCCE COc1ccc(N2CCNC[C@@H]2CO)c(F)c1 1999218877 QQRHIGQQUYEWQR-SECBINFHSA-N 240.278 0.605 10 10 BCCE CN(C)c1ccc([C@@H](O)C2(CN)COC2)cc1 2014452814 RPAGGUBOVQEZMU-GFCCVEGCSA-N 236.315 0.761 10 10 BCCE NC1(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2015126421 VAIKFLIWUUIUEH-UHFFFAOYSA-N 238.243 0.025 10 10 BCCE Nc1ccc(CN2CC[C@@](O)(C(=O)O)C2)cc1 2020769543 PAPCXNZDNFNTGT-LBPRGKRZSA-N 236.271 0.290 10 10 BCCE Cc1ccc(CN2CCOC[C@@H](N)C2)c(O)c1 2024809021 WCTVRLABTGONBT-LBPRGKRZSA-N 236.315 0.860 10 10 BCCE Oc1ccc(CNC[C@H](O)c2cnc[nH]2)c(O)c1 2028288280 NPSMDCWOFKDDPJ-LBPRGKRZSA-N 249.270 0.644 10 10 BCCE O=C(N[C@H]1CNCC12CC2)c1ccc(O)c(O)c1 2033046340 LGXMCSSFAOKJDT-NSHDSACASA-N 248.282 0.580 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CC[C@H]2C[C@@H]21 309134034 LFFHVDAITKGJPO-OYNCUSHFSA-N 223.280 0.930 10 10 BCCE Cn1ccc2ccc([C@H]3NCCNC3=O)cc21 83078382 UHTWXOYIBPFZTL-GFCCVEGCSA-N 229.283 0.939 10 10 BCCE CCC[C@@H](N)CNC(=O)c1cc(O)nc(O)c1 721633815 PWDGGTSSNDSBMV-MRVPVSSYSA-N 239.275 0.350 10 10 BCCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C)(O)C3)cc21 384057875 PCEMKDNBPASINS-NSHDSACASA-N 247.298 0.234 10 10 BCCE NCc1ccc(N(CCO)CCCO)cc1F 385415860 YERCFNKPIVYOEQ-UHFFFAOYSA-N 242.294 0.466 10 10 BCCE CN(c1ccc2c(c1)CC[C@H]2O)[C@H]1COC[C@H]1O 2065078382 VCACUIQBDYSIKG-BFHYXJOUSA-N 249.310 0.862 10 10 BCCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 2065080099 FFIOTFQMEZLPPD-LEWSCRJBSA-N 249.310 0.456 10 10 BCCE CC(=O)C(=O)[C@]1(O)CC[C@H]2[C@H]1C2(F)F 2210003130 OSZJWBAKNPXUIY-BBVRLYRLSA-N 204.172 0.551 10 10 BCCE [N-]=[N+]=NCCN1CCN([C@H]2CC[C@H](N)C2)CC1 2213742472 FXRYHRTTWPGBNY-QWRGUYRKSA-N 238.339 0.794 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(N)=O 2298455973 AGAOQYZNNFYDPJ-NGJRWZKOSA-N 237.263 0.455 10 10 BCCE COc1ccc([C@H]2NC(=O)[C@H](C)N2)c(O)c1 42786601 NGEQNGVFMUKDIN-QUBYGPBYSA-N 222.244 0.507 10 10 BCCE CC(C)(CN=[N+]=[N-])CNS(N)(=O)=O 231462028 YPHFABYGZYYBEE-UHFFFAOYSA-N 207.259 0.116 10 10 BCCE CCOC(=O)C1(NCCN=[N+]=[N-])CCOCC1 90257354 MVXPGGVUCRJMAS-UHFFFAOYSA-N 242.279 0.999 10 10 BCCE COc1cccc([C@](C)(N)C(=O)O)c1O 238395270 ZMPBMSZPNKVJKX-JTQLQIEISA-N 211.217 0.659 10 10 BCCE CN1C[C@@H](O)C(=O)c2c1sc(C=O)c2O 250597437 JCNXQTAIEQPVLO-SCSAIBSYSA-N 227.241 0.260 10 10 BCCE COC[C@H](O)[C@@H](N)c1cc(O)ccc1O 389384162 RPANFMBEOJTHQC-UWVGGRQHSA-N 213.233 0.105 10 10 BCCE OCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1 1896415697 RYFDSZVRKQKUNO-NEPJUHHUSA-N 223.272 0.111 10 10 BCCE C[C@@](O)(CO)[C@@H](N)c1ccc(F)cc1O 713753827 HOVSRIXOUIEEOI-VHSXEESVSA-N 215.224 0.274 10 10 BCCE C[C@H](N)C1=N/C(=C2/C=S=NC2)SC1 725594669 DPGXAIMMSDYUGB-JCVXODEMSA-N 213.331 0.815 10 10 BCCE O=C(N[C@@H]1CC12CC(O)C2)c1cccc(O)c1O 724962991 OWLQMJVYWAARRN-OILJVLCYSA-N 249.266 0.741 10 10 BCCE Cc1cc(CN)ccc1N1C[C@H](O)C[C@H]1CO 698182805 SOLVPPAXLFDBPX-NWDGAFQWSA-N 236.315 0.386 10 10 BCCE CCOc1cccc(CNOCC(N)=O)c1O 169160407 MBVYTXSCYRUJKJ-UHFFFAOYSA-N 240.259 0.297 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)C[C@H]1COCCO1 1912179672 XDRXCYVSFOSTFT-QMMMGPOBSA-N 228.252 0.561 10 10 BCCE CN(CCOc1ccc(N)cc1)[C@H]1CCNC1=O 1916838506 KZENHLMQOSCACO-LBPRGKRZSA-N 249.314 0.468 10 10 BCCE COc1cccc([C@@H](O)C(=O)C(C)=O)n1 1929171020 XWVSEOQFHFVIED-SNVBAGLBSA-N 209.201 0.282 10 10 BCCE O=C(NCc1ncon1)c1ccc(O)c(O)c1 231814896 NAHQSFWAXFQXHU-UHFFFAOYSA-N 235.199 0.411 10 10 BCCE CN1C[C@H](CN)[C@@H](c2cccc(O)c2O)C1 382740181 ZEZKNRPVTGYGIH-WPRPVWTQSA-N 222.288 0.702 10 10 BCCE CCNCc1cnc(SC[C@@H](O)CO)s1 1934277464 QOGJUUOMHJVDNU-ZETCQYMHSA-N 248.373 0.698 10 10 BCCE CCNCc1ccc(OC[C@@H](O)CO)c(C)c1 1949339931 UDRJTLRQIWQEPS-LBPRGKRZSA-N 239.315 0.837 10 10 BCCE Cn1nc(-c2cc(O)nc(O)c2)cc1C(=O)O 1952300145 FPZHHAISSPTDFK-UHFFFAOYSA-N 235.199 0.592 10 10 BCCE Nc1ccc(CNC(=O)[C@H]2[C@H]3COC[C@H]32)cc1 2006161494 YEUSSSCBXZAMJL-ZSBIGDGJSA-N 232.283 0.777 10 10 BCCE C[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCN1 2003167691 OGUVJGUHKAEIOZ-CHWFTXMASA-N 238.331 0.640 10 10 BCCE CCOC(=O)CN1Cc2c(O)cccc2C1=O 260267631 QZPASJNOTWXFEZ-UHFFFAOYSA-N 235.239 0.911 10 10 BCCE Cn1ccnc1C=C1C[C@@H]2NCCO[C@H]2C1 1986803834 JRCTXQHIRKTCLM-QWRGUYRKSA-N 219.288 0.954 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2CNOC2)cc1 1989301811 ZZEZSCBAQZSZCM-VIFPVBQESA-N 222.248 0.294 10 10 BCCE [N-]=[N+]=NCCNC1(C(N)=O)CC2(C1)CC2(F)F 2014332975 SWZUGOUGFPPYHL-UHFFFAOYSA-N 245.233 0.930 10 10 BCCE C[C@@]1(CNCc2cc(F)ccc2O)CC(=O)N1 2025636764 OLJUCBODZGNNNZ-LBPRGKRZSA-N 238.262 0.900 10 10 BCCE Nc1ccc(CCC(=O)N[C@@H]2[C@@H]3CNC[C@@H]32)cc1 2026889243 MLAAEDJITRUJBN-DABQJJPHSA-N 245.326 0.535 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@@H]2COC[C@@H]21 2027338510 JLRLBZSFJOCWDF-POZPLHJXSA-N 247.298 0.815 10 10 BCCE C[C@H](N)c1ccc2c(c1)CCN2C[C@@H]1CC(=O)N1 2031849987 JVDLNBMCWBVXHM-CABZTGNLSA-N 245.326 0.957 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2211154755 HCXUATYFYDMWTQ-AEJSXWLSSA-N 225.296 0.199 10 10 BCCE Nc1ccc(CNC(=O)c2ccnnc2O)cc1 2222512829 KDLJVGNVJQAMTD-UHFFFAOYSA-N 244.254 0.694 10 10 BCCE Oc1cccc(C2CNCCNC2)c1O 1952449545 SCEXGHUHXLMQJD-UHFFFAOYSA-N 208.261 0.374 10 10 BCCE COc1cc([C@@H]2CCN[C@@H]2CO)cc(O)c1O 1952538498 LMROIQCRSVYNPM-DTWKUNHWSA-N 239.271 0.544 10 10 BCCE Nc1ccc(CC2=N[C@@H]3CNC[C@H]3O2)cc1 107705540 RXFIGJJWOBRCAT-GHMZBOCLSA-N 217.272 0.580 10 10 BCCE Nc1ccc(CN2C(=O)C=CC2=O)cc1 135438809 XZISMJAUIVZOCY-UHFFFAOYSA-N 202.213 0.694 10 10 BCCE N[C@@H](CCCCO)c1c(O)cc(O)cc1O 309558673 PIUKTZCTUOTCGG-QMMMGPOBSA-N 227.260 0.966 10 10 BCCE Cc1cc(O)c([C@@H](N)CC(=O)O)cc1N 308855608 IIXCGHCJFXWDBL-QMMMGPOBSA-N 210.233 0.757 10 10 BCCE N[C@@H](CO)c1cc(F)cc(C(=O)O)c1O 72198239 BBBOCYMPJAUQRW-ZETCQYMHSA-N 215.180 0.222 10 10 BCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)[C@@H]1CCCO1 149186603 JLXPXGCBXKMDBJ-JGVFFNPUSA-N 227.268 0.309 10 10 BCCE N[C@@H](C(=O)O)c1cc2c(c(Cl)c1O)OCO2 217731357 POTOZAMSAOJNJA-ZCFIWIBFSA-N 245.618 0.859 10 10 BCCE COc1ccc(O)c([C@H](C)NCCC(N)=O)c1 36746973 PJCVWEDEFLADRE-QMMMGPOBSA-N 238.287 0.927 10 10 BCCE CC(=O)N/C(=C\O)C(=O)OC(C)(C)C 220054007 UKTCDMKWRAPFPX-ALCCZGGFSA-N 201.222 0.864 10 10 BCCE COC(=O)[C@@H](O)COCc1ccc(N)cc1 381068013 NHPPQWBKAIXPDW-JTQLQIEISA-N 225.244 0.319 10 10 BCCE C[C@@](N)(CO)c1cc(N)c(F)cc1O 238440031 HNMPGPCCUDHKGM-SECBINFHSA-N 200.213 0.280 10 10 BCCE COc1cccc(O)c1[C@H]1CNCCN1 95692156 SZKGZYQHPFEOLC-MRVPVSSYSA-N 208.261 0.635 10 10 BCCE N[C@]1(CO)CCc2c([N+](=O)[O-])ccc(O)c21 713762798 NGSBKXUMHADPGF-JTQLQIEISA-N 224.216 0.393 10 10 BCCE CCn1c(=O)ccn(CCCN=[N+]=[N-])c1=O 697851078 PFXMAWMFXJGGNN-UHFFFAOYSA-N 223.236 0.730 10 10 BCCE Cc1ccc(O)c([C@@H](N)C(=O)NC[C@@H](C)O)c1 83365924 ZYYSDCCINLWWBW-LDYMZIIASA-N 238.287 0.197 10 10 BCCE Cc1cnc([C@H](NCCN=[N+]=[N-])C(N)=O)s1 394918556 QWNNHDXIBSETNE-ZCFIWIBFSA-N 240.292 0.878 10 10 BCCE COc1cc(C(=O)NCCN=[N+]=[N-])on1 704761827 ANAASTWIGPJBSC-UHFFFAOYSA-N 211.181 0.723 10 10 BCCE Oc1cccc(CN[C@@H]2COCC[C@@H]2O)c1O 710863356 VWTNNQJXLJZZFF-ZJUUUORDSA-N 239.271 0.337 10 10 BCCE COC[C@@](C)(CO)N(C)c1ccc(CN)cc1 689753511 LPHQGRJPYBMHOY-CYBMUJFWSA-N 238.331 0.979 10 10 BCCE Cn1cnc([C@H](O)Cc2ccc(N)cc2)n1 714939336 DJKTXRZTULFZPO-SNVBAGLBSA-N 218.260 0.673 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN([C@@H]2CC(=O)NC2=O)C1 1912174683 CGCCVYFIRNEBIB-HTQZYQBOSA-N 237.263 0.424 10 10 BCCE Cc1ccc(O)c([C@H](C(=O)O)N(C)CCO)c1 211848934 YWIXYYLDPNQFGH-LLVKDONJSA-N 239.271 0.750 10 10 BCCE CCNC(=O)CCNC(=O)Cc1ccc(N)cc1 228303730 JITJSEPJOXXRBN-UHFFFAOYSA-N 249.314 0.454 10 10 BCCE NC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1629518638 FWRCDKGOARIFJO-UHFFFAOYSA-N 249.230 0.064 10 10 BCCE COCc1ccc([C@H](O)C(=O)C(C)=O)o1 1929183444 UVIOEHZWEULDBM-JTQLQIEISA-N 212.201 0.618 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1 2214220544 GBTIYKRWIUCLFC-DTWKUNHWSA-N 241.262 0.766 10 10 BCCE Oc1cc(Cl)ccc1CN[C@@H]1COC[C@H]1O 1937041351 LCTBIHLBBLUUSI-MWLCHTKSSA-N 243.690 0.895 10 10 BCCE CN(CN1CCNCC1)c1ccc2c(c1)OCO2 258988742 XGZIPGRETMFHNE-UHFFFAOYSA-N 249.314 0.714 10 10 BCCE Nc1ccc(CC(=O)NCC23CC(CN2)C3)cc1 852866368 WBJCXCNBQCZCHG-UHFFFAOYSA-N 245.326 0.680 10 10 BCCE NCCCNCc1ccc(O)c(O)c1O 236208054 UHRQWRAFBWQIQK-UHFFFAOYSA-N 212.249 0.242 10 10 BCCE O=C(c1cccc(O)c1O)N1CCN[C@H]2C[C@H]21 1946759144 XPAXUUKIBZKNMK-DTWKUNHWSA-N 234.255 0.284 10 10 BCCE NCC=Cc1ccc(N2CC(=O)NC(=O)C2)cc1 1951304367 LSGKPTYAZXFXRG-UHFFFAOYSA-N 245.282 0.121 10 10 BCCE COC(=O)c1cc(C(=O)C(C)=O)cn1C 1951734301 QSQZIMHIRGGTIN-UHFFFAOYSA-N 209.201 0.583 10 10 BCCE C[C@H](N)[C@@H](O)c1ccc(O)c(CN(C)C)c1 1952355920 SWPDCHAFPOLLPE-QPUJVOFHSA-N 224.304 0.834 10 10 BCCE CCOC(=O)c1cc([C@H](N)CO)c(O)cc1O 260261229 UTWUGYKXWOUBJW-MRVPVSSYSA-N 241.243 0.267 10 10 BCCE [N-]=[N+]=NC1CN(CCOCCOCCO)C1 1986389210 IFWHWZUYIZHREZ-UHFFFAOYSA-N 230.268 0.006 10 10 BCCE Nc1ccc(CC(=O)N2C[C@H]3[C@@H](O)C[C@H]3C2)cc1 2033977953 HLTKYHCGZWPFAZ-UHTWSYAYSA-N 246.310 0.651 10 10 BCCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC12CC2 2034688484 JTURGMHUEMESFK-MRVPVSSYSA-N 249.270 0.056 10 10 BCCE CCC[C@@H]1N[C@@H](CN=[N+]=[N-])C(=O)NC1=O 308954955 YVEXXBGWPYIVHY-WDSKDSINSA-N 211.225 0.080 10 10 BCCE NCc1ccc(N2CC[C@](O)(CO)C2)cc1 313653115 UOHZRUUKAUXSSH-GFCCVEGCSA-N 222.288 0.079 10 10 BCCE CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H](C)N 386828441 HJYBTOSINPIJEL-APPZFPTMSA-N 238.287 0.953 10 10 BCCE CN1CCc2cc(CNC3(C(N)=O)CC3)ccc21 2041816723 UFKJSMXYZWHYEY-UHFFFAOYSA-N 245.326 0.786 10 10 BCCE NCCN1CCN(c2ccc3c(c2)CCO3)CC1 2044311735 VAEUQRHAHHLLHA-UHFFFAOYSA-N 247.342 0.702 10 10 BCCE OCc1ccc(N2CC(N3CCOCC3)C2)cc1 2050337993 NZHOJCIGJROQIR-UHFFFAOYSA-N 248.326 0.700 10 10 BCCE CO[C@@H]1CN(CCN=[N+]=[N-])[C@H](CO)[C@H]1OC 2210312738 JJWTXBMKXMFIBD-IWSPIJDZSA-N 230.268 0.003 10 10 BCCE NCc1ccc(N2CC3(CCC(=O)N3)C2)c(F)c1 2222153576 YAVOHRZQMZAPJU-UHFFFAOYSA-N 249.289 0.753 10 10 BCCE C[C@H](O)CNC(=O)Cc1ccc(N)cc1 35599105 YJGLGVGCPBHTOF-QMMMGPOBSA-N 208.261 0.308 10 10 BCCE Nc1ccc(CC(=O)N2CC[C@@H](C(=O)O)C2)cc1 62135682 YXRIGHUYLKAWPL-SNVBAGLBSA-N 248.282 0.744 10 10 BCCE NC[C@@H](N)c1cc(Cl)cc([N+](=O)[O-])c1O 72201267 ZIPJZMPTDSBGBH-ZCFIWIBFSA-N 231.639 0.912 10 10 BCCE Cn1ncc2c1C(=O)c1c(O)ccc(N)c1C2=O 82307750 NCXYRSPMJULJPC-UHFFFAOYSA-N 243.222 0.483 10 10 BCCE O=C(O)C[C@@H](O)[C@@H]1NCCc2cccc(O)c21 83660318 MUQHEEAZTHFSRG-SKDRFNHKSA-N 237.255 0.415 10 10 BCCE CCNC(=O)c1cc(O)c(O)c([N+](=O)[O-])c1 205165945 SIGDUVMAKGPGDW-UHFFFAOYSA-N 226.188 0.756 10 10 BCCE CSc1ncc([C@@H](CN)C(=O)O)s1 215622566 AUSQTLSJZOMELQ-SCSAIBSYSA-N 218.303 0.992 10 10 BCCE O=C(NCC1(CO)CC1)c1ccc(O)c(O)c1 227039942 QUHYKRYZPJDQRY-UHFFFAOYSA-N 237.255 0.600 10 10 BCCE N[C@@H]1C=C[C@H](C(=O)NCc2ccccc2O)C1 228423054 LXFOJBRFHRGHPN-GXSJLCMTSA-N 232.283 0.912 10 10 BCCE CC(C)(O)C(=O)N1C(=O)Cc2cc(N)ccc21 259023437 SYEBLXHWKZLYBV-UHFFFAOYSA-N 234.255 0.455 10 10 BCCE NC(=O)CON[C@H]1CCc2cccc(O)c21 309475947 BXXNZDMETZHYGX-QMMMGPOBSA-N 222.244 0.386 10 10 BCCE [N-]=[N+]=N[C@@H]1[C@H]2C[C@@H]3[C@@H](C(=O)O[C@@H]31)[C@@H]2CO 379701708 RGZJISYHWOBWIF-UFHHHNHISA-N 209.205 0.465 10 10 BCCE Cn1ncc(CNC(=O)Cc2ccc(N)cc2)n1 389848022 QLHFSQWEIOZEDV-UHFFFAOYSA-N 245.286 0.256 10 10 BCCE NCc1ccc(N2CCOC[C@H](O)C2)cc1F 399953151 VZNZJHQSVOJWRC-LLVKDONJSA-N 240.278 0.482 10 10 BCCE CC(=O)N[C@H](C(=O)NCCCN=[N+]=[N-])C(C)C 701318772 HUVKSPCMFKALDG-VIFPVBQESA-N 241.295 0.964 10 10 BCCE Cc1cccc([C@H](N)[C@@H](O)C(=O)O)c1O 713742719 KRGXBGKJFYQRDC-IONNQARKSA-N 211.217 0.146 10 10 BCCE C[C@H]1N=C/C(=C2/CN=S=C2C(=O)O)S1 725685810 QPVQDLMQSYQQIP-RTNQAQHFSA-N 228.298 0.941 10 10 BCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1CN 877160417 LBCSBYAHKLJDPH-ZYHUDNBSSA-N 247.342 0.865 10 10 BCCE Oc1ccccc1CN1C[C@@H]2C[C@]2(O)C1 895649655 RSEQYIBBEMQSBI-JQWIXIFHSA-N 205.257 0.959 10 10 BCCE O=C(CO)Nc1c(Cl)ccc2nonc12 1459788222 JJKUDTUWCRVTBS-UHFFFAOYSA-N 227.607 0.807 10 10 BCCE CO[C@@H](Cc1cccc(O)c1O)C(=O)O 1535733722 CZFVIDUFNDLXPL-QMMMGPOBSA-N 212.201 0.740 10 10 BCCE Nc1ccc(CNCC[C@@H]2COC[C@H]2O)cc1 1906721389 YJXDBXFVBJVGQK-DGCLKSJQSA-N 236.315 0.756 10 10 BCCE CN[C@@H](Cn1cnnn1)c1ccccc1O 1937152160 DMEHDDCPQKBNMM-VIFPVBQESA-N 219.248 0.339 10 10 BCCE Oc1ccc(CCNC[C@@H]2CCN2)cc1O 1937944461 BHWHYPSUTDUHKR-JTQLQIEISA-N 222.288 0.592 10 10 BCCE Oc1cc(CC2(O)CCNCC2)cc(O)c1O 1951403025 RJGXEKBEVUNKRD-UHFFFAOYSA-N 239.271 0.460 10 10 BCCE COc1ccc([C@@H]2C[C@@H](O)CN2)c(O)c1 1952063794 ZNROEFMJAMKTEB-XCBNKYQSSA-N 209.245 0.796 10 10 BCCE N[C@@]1(c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 1952773795 ADHNDAKZYRKWSV-LHLIQPBNSA-N 209.201 0.356 10 10 BCCE O=C(NCCc1ccc(O)c(O)c1)C1(O)CC1 1953125408 MBUVSFIRMBZNKM-UHFFFAOYSA-N 237.255 0.281 10 10 BCCE [N-]=[N+]=NCCN1CCOCCC12CNC2 1962286483 AMIMCMJGTZJWJP-UHFFFAOYSA-N 211.269 0.361 10 10 BCCE CO[C@H]1C[C@@H](CN)N(CCCN=[N+]=[N-])C1 1962288453 WLJDOZPEUUQWDC-IUCAKERBSA-N 213.285 0.735 10 10 BCCE COc1ccc(O)c(CN2C[C@H]3[C@H](N)[C@H]3C2)c1 1964647874 XGUJJFKHWQMIEX-PJXYFTJBSA-N 234.299 0.790 10 10 BCCE Nc1ccc(CCC(=O)N[C@H]2C[C@@H]2N)cc1 1989368896 BZSPJSUPXCAWBH-QWRGUYRKSA-N 219.288 0.417 10 10 BCCE NCCSC[C@H](O)COc1ccc(N)cc1 1990286237 SWHPTBPMCUTAKU-SNVBAGLBSA-N 242.344 0.700 10 10 BCCE Oc1cccc(F)c1CNC[C@H]1COC[C@@H]1O 1997948570 KNGAUDXKCSZPIK-UFBFGSQYSA-N 241.262 0.628 10 10 BCCE NCCN(CCN)c1ccc2c(c1)COCC2 1999213445 HQNNTUZDEQJDLE-UHFFFAOYSA-N 235.331 0.483 10 10 BCCE CN(C)c1ccc([C@@H](NN)c2nc[nH]n2)cc1 1999526798 FIBOVCZYUQFXRN-SNVBAGLBSA-N 232.291 0.423 10 10 BCCE CCCN(CCCN=[N+]=[N-])[C@@H]1CC(=O)NC1=O 2004294347 DMSPYABPNSDLIF-MRVPVSSYSA-N 239.279 0.814 10 10 BCCE N[C@H](c1ccccc1O)[C@H](O)c1ncccn1 2013881790 GAQHENNYUGKSJZ-MNOVXSKESA-N 231.255 0.916 10 10 BCCE Oc1ccccc1CN1CCO[C@@H]2COC[C@@H]21 2017528036 QYKARYWYCVXONO-WCQYABFASA-N 235.283 0.992 10 10 BCCE Oc1nnc(CNCc2ccc(O)c(O)c2)o1 2023058913 BBQFJPDMTSUPOZ-UHFFFAOYSA-N 237.215 0.476 10 10 BCCE CCn1cc([C@@H](O)[C@H](N)c2ccccc2O)nn1 2031153821 MELRSGJWEGEEFZ-VXGBXAGGSA-N 248.286 0.737 10 10 BCCE O=c1nc(CNCc2ccc3c(c2)CCO3)[nH]o1 2052632286 RJCNXSCZKDSBTG-UHFFFAOYSA-N 247.254 0.588 10 10 BCCE Nc1ccc(CCC(=O)N2CC3(CCN3)C2)cc1 2071680250 IAUINSUMEQCUKQ-UHFFFAOYSA-N 245.326 0.776 10 10 BCCE COc1ccc(N2CC[C@@H]2C(N)=O)c(CO)c1 2214864532 PONIPYXRCDMALC-LLVKDONJSA-N 236.271 0.252 10 10 BCCE C[C@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1 2249567144 FDEZYWPBDWUNGH-XDTLVQLUSA-N 237.299 0.672 10 10 BCCE CN1CC2(CN(CCCN=[N+]=[N-])C2)OCC1=O 2251471142 ARLAOXGOEVXZDF-UHFFFAOYSA-N 239.279 0.230 10 10 BCCE N[C@@H]1CC[C@@H]1N1CCc2cc(O)c(O)cc2C1 2302409063 SNZAGNUXICJHRR-MNOVXSKESA-N 234.299 0.946 10 10 BCCE CO[C@H](CN)[C@@H](O)c1ccc2c(c1)CCN2C 2307087860 WURKGSWIBATIAF-OLZOCXBDSA-N 236.315 0.686 10 10 BCCE C[C@@H](N)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2308770488 ACYVFUALIIBNJX-VMOOEMLUSA-N 248.326 0.637 10 10 BCCE N[C@@]1(c2cc(O)c(O)c(O)c2)CC1(F)F 1952417358 DZFLHPFUCPBDKR-MRVPVSSYSA-N 217.171 0.996 10 10 BCCE COc1cc(O)c([C@@H](N)[C@H](C)O)cc1OC 309541820 HKVYJLAALQGZDQ-KGFZYKRKSA-N 227.260 0.790 10 10 BCCE NC[C@H](c1cc(O)nc(O)c1)C(F)F 1952609088 SWGFUNXFZMBLSH-RXMQYKEDSA-N 204.176 0.800 10 10 BCCE Nc1ccc(N2C(=O)[C@H]3C[C@H]3C2=O)c(C(=O)O)c1 62831614 RIQDQSPTGNNGIU-KNVOCYPGSA-N 246.222 0.476 10 10 BCCE C[C@](N)(CC(=O)O)c1cc(O)c(O)c(O)c1 309147514 BRXDESPYAXKRDP-JTQLQIEISA-N 227.216 0.452 10 10 BCCE CN1C(=O)Cc2cc(C(=O)C=[N+]=[N-])ccc21 84481048 ZJQGFTJKSYIQDN-UHFFFAOYSA-N 215.212 0.689 10 10 BCCE C[C@@H]1N[C@@H](c2ccc(O)cc2O)NC1=O 380288863 BDNYMRKYSXDQMP-SSDLBLMSSA-N 208.217 0.204 10 10 BCCE CN(C)CCCNC(=O)c1ccc(O)c(O)c1 226951443 MIACXUPRDSGMIH-UHFFFAOYSA-N 238.287 0.779 10 10 BCCE O=C(NCc1cn[nH]c1)c1ccc(O)c(O)c1 236565525 MZVQWNVOORRHDE-UHFFFAOYSA-N 233.227 0.751 10 10 BCCE COc1ccc(CNC[C@@](C)(O)CO)c(O)c1 90284524 FHYLFJBMCILJFH-GFCCVEGCSA-N 241.287 0.234 10 10 BCCE CCOC(=O)[C@H](N=[N+]=[N-])[C@@H]1C[C@@H](O)CO1 238255414 PIYWCVPEYCTAQW-DSYKOEDSSA-N 215.209 0.378 10 10 BCCE Oc1cccc([C@@]2(O)CCCNC2)c1O 238683184 AILLXFLSVDENLS-LLVKDONJSA-N 209.245 0.669 10 10 BCCE CS(=O)(=O)c1cc(O)c(CNO)cc1F 258201837 OFKOXBDZYLWASE-UHFFFAOYSA-N 235.236 0.414 10 10 BCCE COc1cc(OC)c2c(c1)[C@@](O)(CN)CN2C 527416424 LFVCPTCDKHMPAU-GFCCVEGCSA-N 238.287 0.300 10 10 BCCE Oc1ccccc1CN1C[C@H]2COC[C@@H](C1)O2 802657965 XKRDXCCUDAJARF-TXEJJXNPSA-N 235.283 0.992 10 10 BCCE CC[C@H](N)[C@@](N)(O)c1cc(C=O)ccc1O 713748151 HOBDEEVFFGERPQ-QWRGUYRKSA-N 224.260 0.046 10 10 BCCE CC1(C)C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CO1 396984144 UVBRTOFHQXCKNX-JTQLQIEISA-N 241.295 0.699 10 10 BCCE CN1CC[C@H]1CNCc1cccc(O)c1O 712543236 OBHAGLHPHIOUBA-JTQLQIEISA-N 222.288 0.892 10 10 BCCE O=C1COC[C@H](c2cc([N+](=O)[O-])ccc2O)N1 725424767 SOBGRTPWRUZBQZ-MRVPVSSYSA-N 238.199 0.488 10 10 BCCE COC[C@H](O)CN(C)c1ccc(CN)cc1F 44414771 WOLNCHPIAUKKRR-SNVBAGLBSA-N 242.294 0.728 10 10 BCCE CN(Cc1ccc2c(c1)CCN2C)C(=O)C(=O)O 83907966 TVUBSUNQXFAMGB-UHFFFAOYSA-N 248.282 0.722 10 10 BCCE C[C@@H](N)C(=O)NCc1ccc2c(c1)OCCN2C 83961536 SBALCXSKVHVRIF-SECBINFHSA-N 249.314 0.479 10 10 BCCE CCCN1CCN(CCN=[N+]=[N-])C(=O)C1=O 166594702 AWBYNDNJAUOYEA-UHFFFAOYSA-N 225.252 0.378 10 10 BCCE [N-]=[N+]=NCCCN1CCOC[C@@H](O)C1 399842702 CRRVTJBNEPVQRG-QMMMGPOBSA-N 200.242 0.380 10 10 BCCE CN(Cc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709120187 YGFZXDHROBSUQY-RYUDHWBXSA-N 222.288 0.460 10 10 BCCE CN(c1ccc(N)cc1)[C@H]1CCNC1=O 691586893 NUDDBDBFGUQHAH-JTQLQIEISA-N 205.261 0.594 10 10 BCCE Cc1cccc(CN[C@H]2CCNC2=O)c1O 693957869 BZWILNXTOLEXNF-JTQLQIEISA-N 220.272 0.679 10 10 BCCE COC(=O)[C@H](CN=[N+]=[N-])NCCN=[N+]=[N-] 85622409 DBSJKFCBHDCZSF-YFKPBYRVSA-N 213.201 0.738 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1ccn(C(F)(F)F)n1 1901758761 HDVZDPYWJPUISF-ZETCQYMHSA-N 236.149 0.551 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@H]1C[C@H]2C[C@@H]1C2 1902415629 UOQPHBOAOKVNSG-KZVJFYERSA-N 223.280 0.786 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1912192187 BMOQLORJLJYHMQ-MRVPVSSYSA-N 235.251 0.579 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(CCn2cncn2)C1 1912168430 UJDRXKGPZFPRCR-SECBINFHSA-N 221.268 0.910 10 10 BCCE C[C@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1 159990100 KKBSIUAIPFEZBY-YFKPBYRVSA-N 249.230 0.102 10 10 BCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCC(=O)O 1860080854 SBQGAENPARODMW-SSDOTTSWSA-N 238.243 0.237 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1N[C@H]2CC[C@H]1C2 1941187032 LIDOKOMLBAPFAX-IUCAKERBSA-N 234.255 0.979 10 10 BCCE CCN[C@H](Cn1cnnn1)c1ccccc1O 1942646678 ZJIUWDJAKDSVEF-SNVBAGLBSA-N 233.275 0.730 10 10 BCCE Oc1ccc(CN[C@H]2C[C@H](O)C2)c(O)c1O 1976102491 LKKYROJUFPYFRP-ZKCHVHJHSA-N 225.244 0.416 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@H](F)[C@H](O)C1 1944285128 DRHUYUDDQAWYFL-OIBJUYFYSA-N 241.218 0.253 10 10 BCCE Oc1ccccc1CN1C[C@@H]2OCCO[C@H]2C1 1944765678 ICVKTIXNKADXND-STQMWFEESA-N 235.283 0.992 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H](O)C[C@H](O)C1 1886136768 AXLDLTUWKCXTFO-YUMQZZPRSA-N 200.242 0.114 10 10 BCCE N[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O 1969153984 HAADZNFDHYSRAR-IRCOFANPSA-N 246.310 0.992 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H]1O 1971785589 IPWIDHYUBZOPNA-IUCAKERBSA-N 237.255 0.280 10 10 BCCE COc1cc(N2CC(F)(CO)C2)ccc1CN 2024760775 ADOINFLXTATELK-UHFFFAOYSA-N 240.278 0.675 10 10 BCCE Oc1ccc(CNCc2ccnnc2)c(O)c1O 2034419007 RHHJWGUJAOKNEH-UHFFFAOYSA-N 247.254 0.883 10 10 BCCE CN[C@@H](C)[C@H](C)NC(=O)c1cc(O)nc(O)c1 721633429 RZFFCROEGDCVEW-BQBZGAKWSA-N 239.275 0.219 10 10 BCCE Nc1ccc(CN[C@@H]2CCN(C3COC3)C2)cc1 2050393792 UEIGRSJJFPSAAC-CYBMUJFWSA-N 247.342 0.832 10 10 BCCE Cc1cc(N2C[C@@H]3NC(=O)O[C@H]3C2)ccc1CO 2056814412 ZUOGSYXELKQXEQ-RYUDHWBXSA-N 248.282 0.784 10 10 BCCE N[C@@H]1CN(c2ccc3c(c2)CCO3)CC[C@H]1CO 2058544149 NTKCOHFRHJTNNB-WCQYABFASA-N 248.326 0.767 10 10 BCCE N[C@@H]1CCc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2065072907 DBETYTWKGYNNDI-SGMGOOAPSA-N 248.326 0.565 10 10 BCCE N[C@@H]1CCc2cc(N3C[C@@H](CO)[C@@H](O)C3)ccc21 2065065488 MPNCZXRHCBPMEP-GDLCADMTSA-N 248.326 0.422 10 10 BCCE CN(C)c1ccc(CNC[C@@H]2CCNC2=O)cc1 2065482005 KFPDABKSABXYJX-LBPRGKRZSA-N 247.342 0.978 10 10 BCCE OCc1ccc(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1 2068780394 CZESTJZSMVUAAA-DABQJJPHSA-N 249.310 0.622 10 10 BCCE COC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2C[C@@H]1CN2 2071713373 KFZSOXJROVIBCA-GGVZMXCHSA-N 247.298 0.828 10 10 BCCE Nc1ccccc1N[C@@H]1CCC[C@H](O)[C@@H]1O 2210148867 FAXJPIDLMMZUCE-GRYCIOLGSA-N 222.288 0.955 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213583541 TTZZLIUFYAOWRG-ZQARSLAVSA-N 239.279 0.859 10 10 BCCE CN(C[C@H](O)CN)c1ccc(OCF)cc1 2246149426 PXSAERUSXDCLPL-SNVBAGLBSA-N 228.267 0.748 10 10 BCCE Cc1cc(CN)ccc1N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2308771729 SAUUGEINYDWTBA-DOERSZECSA-N 248.326 0.384 10 10 BCCE COc1ccc([C@@H]2NC(=O)[C@@H](C)N2)c(O)c1 42786603 NGEQNGVFMUKDIN-LDWIPMOCSA-N 222.244 0.507 10 10 BCCE O=C(NCc1ccccc1O)[C@@H](F)C1CNC1 310476380 CRJDPOOZPWSDTA-NSHDSACASA-N 238.262 0.566 10 10 BCCE CN(C)c1ccc([C@@H]2[C@@H](N)CC(=O)N2C)cc1 62208971 XKWMMFRVFHXQHL-WCQYABFASA-N 233.315 0.983 10 10 BCCE O=C1CC[C@@H](NCc2ccc(O)cc2O)CN1 110910765 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C[C@@]1(NCc2cccc(O)c2O)CCNC1=O 2251130714 TWBMFXUCDGSWMS-GFCCVEGCSA-N 236.271 0.466 10 10 BCCE Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C(N)=O)c1O 2256386599 OOJWBVZBPVEGDS-UWVGGRQHSA-N 248.282 0.438 10 10 BCCE COc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1C 2249548807 UWEVUHLWYXSNFV-RYUDHWBXSA-N 237.299 0.936 10 10 BCCE Nc1ccc(O)c(CNC(=O)c2ncccn2)c1 2327902446 DUMMPNCSEKLIIM-UHFFFAOYSA-N 244.254 0.694 10 10 BCCE CC[C@@H](OC(=O)Cc1ccc(N)cc1)C(N)=O 61678576 YCLMAISBHMJAJV-SNVBAGLBSA-N 236.271 0.618 10 10 BCCE C[C@@](N)(CO)c1cc(C(=O)O)c(F)cc1O 309256320 SORDOENAABRUGC-SNVBAGLBSA-N 229.207 0.396 10 10 BCCE C[C@@]1(C(N)=O)CCN(c2ccc(CN)cc2)C1 235404619 LEKOLEFYZCWWPT-CYBMUJFWSA-N 233.315 0.847 10 10 BCCE CCN(CC)C(=O)CS(=O)(=O)CCN=[N+]=[N-] 300830294 OLMUPTHSQSOLRU-UHFFFAOYSA-N 248.308 0.580 10 10 BCCE NCCCC(=O)NCc1cccc(F)c1O 83354519 CEAJFQBNDDPETA-UHFFFAOYSA-N 226.251 0.886 10 10 BCCE COC[C@@H](O)[C@@H](N)c1cc(F)ccc1O 95815326 MYRLLDAXLKXQGO-ZJUUUORDSA-N 215.224 0.538 10 10 BCCE CN(Cc1nnn(C)n1)c1ccc(CN)cc1 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C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 226999422 FWOZATZBSKRQNL-JGVFFNPUSA-N 239.271 0.845 10 10 BCCE CCC[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 227040302 GLOLRMTWCNDJTC-SECBINFHSA-N 239.271 0.989 10 10 BCCE CNCc1ccc(N2CCN(C)C(=O)C2)cc1C 84205936 ACADCVNAFHWQEH-UHFFFAOYSA-N 247.342 0.993 10 10 BCCE CC(C)(CN)CNC(=O)c1ccc(O)c(O)c1 232527272 GIHYXFGTCNWLEV-UHFFFAOYSA-N 238.287 0.813 10 10 BCCE CCn1cncc1[C@H](NCCN=[N+]=[N-])C(N)=O 90258238 XGPXSBXHZGKAGA-QMMMGPOBSA-N 237.267 0.329 10 10 BCCE COC(=O)[C@](C)(N)c1c(O)cc(C)cc1O 380499754 DCVMPKVBFUBKFO-LLVKDONJSA-N 225.244 0.753 10 10 BCCE CC(=O)C(=O)COC(=O)c1ncccc1C 808523538 PEORZYZEELCDJJ-UHFFFAOYSA-N 221.212 0.705 10 10 BCCE O=C(N[C@H]1CCCNC1=O)c1cc(O)cs1 731872811 ROCBGNPIIJEFSX-ZETCQYMHSA-N 240.284 0.462 10 10 BCCE NCc1cc(N2CC[C@@H](O)C2)ccc1N 82640383 GXWSMEGNNOWWFP-SNVBAGLBSA-N 207.277 0.299 10 10 BCCE COc1ccc(O)c([C@H](N)P(=O)(O)O)c1 393730943 GRGLLWZBLUGYLV-MRVPVSSYSA-N 233.160 0.536 10 10 BCCE CN(CCN=[N+]=[N-])C[C@H]1CCNC(=O)C1 1960306637 SOCPPZICNDECKI-QMMMGPOBSA-N 211.269 0.755 10 10 BCCE C[C@@H](C(=O)N1CC[C@H](CN=[N+]=[N-])C1)n1cncn1 1912150903 AADLZTIAKKKLIK-DTWKUNHWSA-N 249.278 0.998 10 10 BCCE COC(=O)C[C@@H](O)c1cccc(O)c1O 1535734113 JAXBRUQNTYZAGV-MRVPVSSYSA-N 212.201 0.694 10 10 BCCE CCOC(=O)CCCNC(=O)CN=[N+]=[N-] 104703307 YIHMTCFPFQDWOK-UHFFFAOYSA-N 214.225 0.756 10 10 BCCE CN1CCCN(CCCN=[N+]=[N-])CC1=O 229043761 GTIDPLPQJNXWEB-UHFFFAOYSA-N 211.269 0.851 10 10 BCCE O=C(c1cccc(O)c1O)N1CC(CO)C1 163283179 RBKMOVYXVIAYMM-UHFFFAOYSA-N 223.228 0.162 10 10 BCCE NCC1CN(C(=O)c2cccc(O)c2O)C1 163294365 ISWUSMAFQRAKAE-UHFFFAOYSA-N 222.244 0.129 10 10 BCCE COC(=O)C[C@](C)(N)c1cccc(O)c1O 1951871693 ZRLFDTHKWGLJBL-NSHDSACASA-N 225.244 0.835 10 10 BCCE O=C1NC[C@@H](CNCc2cccc(F)c2O)O1 1964062942 JJPKURDJMCAEHF-MRVPVSSYSA-N 240.234 0.729 10 10 BCCE COC(=O)[C@H](N)[C@@H](OC)c1ccc(O)c(O)c1 1952306848 RLPCYUCTCMXVON-ZJUUUORDSA-N 241.243 0.286 10 10 BCCE Oc1cccc(F)c1CNCc1cnn[nH]1 1976861554 XUFFFYCKNQVUME-UHFFFAOYSA-N 222.223 0.939 10 10 BCCE CN1CCc2cc([C@]3(O)CC[C@H]3N)ccc21 1977937163 ACTXSOMZVLYTES-CHWSQXEVSA-N 218.300 0.988 10 10 BCCE C[C@@H]1[C@H](O)CN1C(=O)Cc1ccc(N)cc1 1985728025 GMUZYGNZJFZWRE-LDYMZIIASA-N 220.272 0.403 10 10 BCCE Nc1ccc(OCC(=O)N2CCC2=O)cc1 1989360061 ZKTQDANKCUYMPE-UHFFFAOYSA-N 220.228 0.407 10 10 BCCE Nc1ccc(OCCN2CC(=O)NC2=O)cc1 1995904579 KAMKNXFEGKMXLH-UHFFFAOYSA-N 235.243 0.199 10 10 BCCE [N-]=[N+]=NCCCCN1CC[C@H](N2CC(O)C2)C1 1996739191 XJBHKAUREABZRZ-JTQLQIEISA-N 239.323 0.828 10 10 BCCE CN(C)c1ccc([C@@H](O)[C@H]2COCCN2)cc1 1999502075 CFKSZYMKZHXCLM-CHWSQXEVSA-N 236.315 0.774 10 10 BCCE Cc1ccc(CN2C[C@@H](O)C[C@H]2CN)c(O)c1 2024814561 KDGRAAQNMGXEGB-RYUDHWBXSA-N 236.315 0.595 10 10 BCCE OC[C@]1(NCc2ccc(F)cc2O)CCOC1 293595171 KRPDXSIBBXRIDF-GFCCVEGCSA-N 241.262 0.772 10 10 BCCE C[C@H]1CC(=O)CN1C(=O)Cc1ccc(O)c(O)c1 2028456414 WJWZVENAQRYTDX-QMMMGPOBSA-N 249.266 0.830 10 10 BCCE CN1C[C@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1 2029867323 OTEPYMDESMVTMM-STQMWFEESA-N 248.326 0.386 10 10 BCCE CN1CCc2cc(CN=c3ncn(C)[nH]3)ccc21 2030337023 HEZIOZQZLZFGHB-UHFFFAOYSA-N 243.314 0.841 10 10 BCCE O=C1[C@H]2C[C@@H]2C(=O)N1CCc1ccc(O)c(O)c1 2031079341 QDZVQLFJTGLLGB-IUCAKERBSA-N 247.250 0.645 10 10 BCCE Oc1c(F)cccc1CN[C@@H]1CCOC[C@H]1O 706721594 PYITUXOWVOUBBB-GHMZBOCLSA-N 241.262 0.771 10 10 BCCE CN(C[C@H]1COCCO1)c1ccc(CN)cc1 690799729 GQMUUPHYTAXCGX-ZDUSSCGKSA-N 236.315 0.997 10 10 BCCE N#Cc1cc(CNC2CC2)ccc1N1CC(O)C1 384137240 MMCJJKYFVIYOGV-UHFFFAOYSA-N 243.310 0.991 10 10 BCCE Cc1ncc(CNC(=O)c2cc(O)nc(O)c2)[nH]1 724674999 DDZXKDVJERVBOT-UHFFFAOYSA-N 248.242 0.454 10 10 BCCE CCN1CCc2cc([C@@]3(O)COC[C@@H]3N)ccc21 2044719741 RFFPNIMVZUYZGK-KBPBESRZSA-N 248.326 0.614 10 10 BCCE NCc1ccc(N2CC[C@]3(CNC(=O)C3)C2)cc1 2044888573 XNNJOLYNAYJMHY-AWEZNQCLSA-N 245.326 0.862 10 10 BCCE O=C(NC[C@@H]1[C@@H]2CCO[C@H]21)c1cccc(O)c1O 2056410855 RVCQLXLZMKAYBL-LPBBDHJYSA-N 249.266 0.863 10 10 BCCE NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)Cc1ccc(N)cc1 2078254986 LZNUCNRWSSMGTD-CYZMBNFOSA-N 245.326 0.617 10 10 BCCE C[C@H](Oc1ccc(N(C)C)cc1)[C@H](O)CN 2211924906 GIEJYPWPHQCOTB-JOYOIKCWSA-N 224.304 0.840 10 10 BCCE COc1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)c(CN)c1 2258358045 AJKMVCCDOZBJQU-GNXNZQSNSA-N 248.326 0.971 10 10 BCCE O=C1OCC[C@@H]1N1CCc2cc(O)c(O)cc2C1 2318664818 DTBBJZDDVAHMQV-JTQLQIEISA-N 249.266 0.771 10 10 BCCE COc1ccc([C@@H](CN)N(C)CCO)c(O)c1 32021927 XWQFIOHIZVZUGU-LLVKDONJSA-N 240.303 0.325 10 10 BCCE C[C@H]1CC[C@H](C(N)=O)CN1CCN=[N+]=[N-] 42438708 TTWCDBLGZPESHQ-YUMQZZPRSA-N 211.269 0.883 10 10 BCCE N[C@H]1C(=O)Nc2cc(N3CCCOCC3)ccc21 61919187 KACRNRRYGVJFSQ-GFCCVEGCSA-N 247.298 0.865 10 10 BCCE [N-]=[N+]=NCCCNS(=O)(=O)C[C@H]1CCCO1 63156915 LYDUUBVLNRCNAI-MRVPVSSYSA-N 248.308 0.785 10 10 BCCE COC[C@@H](O)CN[C@H](C)c1ccc(O)cc1O 71266101 ISOIMRACZMQZFH-SCZZXKLOSA-N 241.287 0.756 10 10 BCCE Nc1ccc(OCc2n[nH]c(N)n2)cc1 82582851 CKARJWKIWDWFKZ-UHFFFAOYSA-N 205.221 0.548 10 10 BCCE NCc1nnc(-c2cccc(O)c2O)o1 83344919 UZWRTNIBCYDGTD-UHFFFAOYSA-N 207.189 0.607 10 10 BCCE CCCNC(=O)[C@@H](N)c1ccc(O)cc1O 83353281 SZBVKIPZDDGBLM-JTQLQIEISA-N 224.260 0.624 10 10 BCCE Oc1ccc(CN2C[C@@H]3CNC[C@@H]3C2)c(O)c1 90320234 HTGGTPGDQXHGPU-PHIMTYICSA-N 234.299 0.749 10 10 BCCE Nc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 159394363 ATDCATRCYUZCPD-UHFFFAOYSA-N 243.266 0.887 10 10 BCCE CCNS(=O)(=O)Nc1ccc(O)c(F)c1 160641711 VMBJOGKHQOCTDL-UHFFFAOYSA-N 234.252 0.798 10 10 BCCE N[C@H](CC(=O)O)c1c(O)ccc2c1COC2 212092178 JGGXQNMUWDBWMR-MRVPVSSYSA-N 223.228 0.897 10 10 BCCE COc1ccc(N2[C@H](C)CNC(=O)[C@H]2CN)cc1 214391045 XRHADAHODZNLCA-BXKDBHETSA-N 249.314 0.347 10 10 BCCE Nc1ccc(NC(=O)NCCCNC=O)cc1 217313638 HWQARKQVQBHMLY-UHFFFAOYSA-N 236.275 0.526 10 10 BCCE COC[C@@H](CCO)NCc1ccc(O)c(O)c1 226756822 QZJOPWAWAMCCIP-SNVBAGLBSA-N 241.287 0.585 10 10 BCCE COCCS(=O)(=O)Nc1ccc(O)cc1N 234677461 ANCHZQCUSRQRAT-UHFFFAOYSA-N 246.288 0.363 10 10 BCCE NC(=S)CNC(=O)c1ccc(O)c(O)c1 236202970 XOWWVWQWBWDZSW-UHFFFAOYSA-N 226.257 0.114 10 10 BCCE N[C@H](CC(=O)O)c1cc(O)c(O)c(F)c1 238623970 QGKBNTULEZHUEA-ZCFIWIBFSA-N 215.180 0.711 10 10 BCCE O=Cc1sc2c(c1O)C(=O)[C@@H](O)CS2 250664835 ROIRZHYHSBMIFA-VKHMYHEASA-N 230.266 0.916 10 10 BCCE COc1ccc2c(c1)C[C@H]1CNC(=O)CN21 257970697 DKJKMWQSZRTGQG-VIFPVBQESA-N 218.256 0.556 10 10 BCCE C[C@@H]1COCC[C@]1(NCCN=[N+]=[N-])C(N)=O 301034096 SPAYAKVFEAFTKE-VXNVDRBHSA-N 227.268 0.167 10 10 BCCE C[C@]1(F)C[C@H](O)[C@@H]2[C@H](N=[N+]=[N-])C(=O)N2C1 379702770 VPISANWGWZGWPY-FEEAIGFJSA-N 214.200 0.369 10 10 BCCE C[C@](N)(CO)c1cc([N+](=O)[O-])c(F)cc1O 380821605 MIAKTZKXOKIBEY-VIFPVBQESA-N 230.195 0.606 10 10 BCCE CCOc1ccc(O)c(CNCC(N)=O)c1 390579130 WPJVPFMWPCSJDA-UHFFFAOYSA-N 224.260 0.366 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3CC4(COC4)C3)ccc21 697093480 GDSKFOYLPOGDNC-NSHDSACASA-N 245.282 0.475 10 10 BCCE O=C(c1cc(O)c(O)c(O)c1)N1CCCCO1 1148581626 QWXSMUDJBAAMGA-UHFFFAOYSA-N 239.227 0.971 10 10 BCCE C[C@H]1N(C)CC[C@]1(NCCCN=[N+]=[N-])C(=O)O 1912150208 QJZYTLQMXPHQQW-PSASIEDQSA-N 241.295 0.824 10 10 BCCE [N-]=[N+]=NC1CCN(CC(=O)N2CCC2)CC1 1912169976 QYZAUSMEUFEICK-UHFFFAOYSA-N 223.280 0.993 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2CCC(=O)N2)C1 1912185918 XNLIQCIRSOVPOA-JGVFFNPUSA-N 209.253 0.650 10 10 BCCE CC1(CN2CC[C@@H](N=[N+]=[N-])C2)CS(=O)(=O)C1 1912205307 FIMVVJSDKYQJDS-MRVPVSSYSA-N 244.320 0.806 10 10 BCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@@H]1CCNC1 1912206590 KDYRLCRUSOMOJW-SCZZXKLOSA-N 241.295 0.428 10 10 BCCE Oc1ccc(CCNC2COC2)cc1O 1929414544 FSLZKFFNPXRNLH-UHFFFAOYSA-N 209.245 0.629 10 10 BCCE N[C@H](c1ccccc1O)[C@@]1(O)CCOC1 1929437465 DTSZSWOMGQHYGU-GHMZBOCLSA-N 209.245 0.543 10 10 BCCE COC1(CO)CN(c2ccc(CN)cc2F)C1 1951059753 BANJMDCJZZRGLB-UHFFFAOYSA-N 240.278 0.482 10 10 BCCE O=C(O)[C@@]1(c2cccc(O)c2O)CCNC1 1951720956 ARAFBOXAHCCDJW-NSHDSACASA-N 223.228 0.414 10 10 BCCE O=[N+]([O-])c1ccc([C@@H]2C[C@H](O)CN2)c(O)c1 1952077901 QNWZLAAMRPGLII-CBAPKCEASA-N 224.216 0.696 10 10 BCCE CN(C)Cc1cc([C@@H]2NCC[C@@H]2O)ccc1O 1952502218 PWZMRKCFFRPMRU-STQMWFEESA-N 236.315 0.849 10 10 BCCE Nc1ccc(O)c(CN2CCO[C@H]3C[C@H]32)c1 1981117142 NWNDHCDHZJEBDX-PWSUYJOCSA-N 220.272 0.948 10 10 BCCE COc1cc(N2C[C@H](O)[C@H]2C)ccc1CN 1994422909 WIKFDZOQILTQFL-KCJUWKMLSA-N 222.288 0.723 10 10 BCCE Nc1ccc(OCCN2CC(F)(CO)C2)cc1 2005097756 IZFRTDIWZXVNRO-UHFFFAOYSA-N 240.278 0.664 10 10 BCCE CO[C@H]1C[C@H]1CNCc1ccc(O)c(O)c1O 2014587532 FWDFQWIQWXMWAM-WPRPVWTQSA-N 239.271 0.928 10 10 BCCE NC[C@H]1CC[C@@H]1Nc1c(N)cccc1C(N)=O 2016988333 BRAVNVMBNZNLHM-XCBNKYQSSA-N 234.303 0.517 10 10 BCCE C[C@H](N)c1cc(F)c(N(C)CC(N)=O)c(F)c1 2018698850 UKDQEFMYTJSKRK-LURJTMIESA-N 243.257 0.906 10 10 BCCE CN1CCc2cc([C@H](N)c3cnn(C)n3)ccc21 2037099514 UOYBTHWDVBSEHJ-ZDUSSCGKSA-N 243.314 0.856 10 10 BCCE N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1=CCC=CC1 2049781955 BKQXXEVDIYQORW-IRUJWGPZSA-N 248.326 0.856 10 10 BCCE C[C@H](N)c1ccc(N2CC(=O)NC[C@H]2C)cc1O 2060839314 BYNQENVVXMESLO-BDAKNGLRSA-N 249.314 0.737 10 10 BCCE N[C@@H]1CCCc2cc(N3CCNC(=O)C3)ccc21 2065023084 XCDITNUWBUNUAR-CYBMUJFWSA-N 245.326 0.959 10 10 BCCE CN(C)c1ccc(OC[C@@](C)(O)CN)cc1 2211924718 CKFVXVHQSMBXPE-LBPRGKRZSA-N 224.304 0.841 10 10 BCCE Cc1scnc1[C@@H](NCCN=[N+]=[N-])C(N)=O 2212430801 MMUPGHBDMPEZID-SSDOTTSWSA-N 240.292 0.878 10 10 BCCE CCc1nc[nH]c(=N)c1-c1ccn(C)c(=O)c1 2216438297 KEKFIKAFNUDOPG-UHFFFAOYSA-N 230.271 0.817 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(CCOCC(N)=O)CC1 2217473203 DIZYXRUYKMDIEG-SECBINFHSA-N 241.295 0.653 10 10 BCCE OC[C@@H]1NC[C@@H]2CN(Cc3ccccc3O)C[C@H]21 2220107877 CXKKBKXTTMXQDX-UPJWGTAASA-N 248.326 0.404 10 10 BCCE Cc1cc(N2CCNC(=O)C2)ccc1[C@H](C)O 2248962005 LUPAWLBVPDYGNS-JTQLQIEISA-N 234.299 0.985 10 10 BCCE Cc1cc(N2CC[C@@H]2[C@@H](O)CO)ccc1CN 2249575818 BEYFMJVRHLTHIT-OLZOCXBDSA-N 236.315 0.386 10 10 BCCE CN(C[C@H]1CCO1)c1ccc2c(c1)NC(=O)[C@@H]2N 2318666387 YUFAOGDWQXRZDQ-BXKDBHETSA-N 247.298 0.864 10 10 BCCE COc1cc2c(c(O)c1OC)[C@H](CO)NCC2 75823140 QKKNLZIZQSTRQS-QMMMGPOBSA-N 239.271 0.589 10 10 BCCE C[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1 84392929 ACCJRRWRUVVMJW-MLUIRONXSA-N 212.201 0.852 10 10 BCCE C[C@H]1CN(c2ccc(N)cc2)C(=O)CN1C 84490673 GKGAGSFATKVIJP-VIFPVBQESA-N 219.288 0.936 10 10 BCCE COc1ccc(N2CCC(=O)N(C)CC2)cc1N 84576051 BQBGOFVLIJYJBD-UHFFFAOYSA-N 249.314 0.946 10 10 BCCE C[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 134693507 QCNGMPJBNGGLGC-MRVPVSSYSA-N 236.271 0.791 10 10 BCCE CC(C)N(CC(N)=O)c1ccc(CN)c(F)c1 135224545 SMQYFHGLEMKUDC-UHFFFAOYSA-N 239.294 0.985 10 10 BCCE CCN(C)C(=O)CNCc1ccc(O)c(O)c1 227542147 WOZJBTZFIDBOTB-UHFFFAOYSA-N 238.287 0.666 10 10 BCCE N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 236302170 IUDBMDRSVXKEOK-MRVPVSSYSA-N 222.244 0.271 10 10 BCCE COc1cccc([C@@](C)(N)CCO)c1O 238391322 GFVSTLFOJWJXNO-NSHDSACASA-N 211.261 0.957 10 10 BCCE COc1ccc(N2CC(N)C2)c(OC)c1 259242005 PUAFPZIGZKXVBD-UHFFFAOYSA-N 208.261 0.851 10 10 BCCE CCCNC(=O)CS(=O)(=O)CCCN=[N+]=[N-] 300807682 KGVAXFYEVJXDGK-UHFFFAOYSA-N 248.308 0.628 10 10 BCCE CN(CCCO)C(=O)[C@@H]1CNc2ccccc2N1 302376947 HXWJSEOSVJDNFQ-LBPRGKRZSA-N 249.314 0.733 10 10 BCCE CC[C@H](N)[C@H](C)NC(=O)c1ccc(O)c(O)c1 386717284 RAWVYWMLPWUNAA-CBAPKCEASA-N 238.287 0.953 10 10 BCCE N[C@]1(CO)CCOc2c(F)c(F)cc(O)c21 713750355 VAOBUWNKEHRCMT-JTQLQIEISA-N 231.198 0.599 10 10 BCCE CNCCS(=O)(=O)NCc1ccccc1O 722214966 QHMCLANGYBMZOW-UHFFFAOYSA-N 244.316 0.031 10 10 BCCE CNC(=O)C1CN(c2ccc([C@@H](C)N)cc2)C1 723200067 CPTDZXPJTIRPKY-SECBINFHSA-N 233.315 0.889 10 10 BCCE CCOc1ccc(O)c([C@H]2COCC(=O)N2)c1 725426888 YVKUETMEBXSMKB-SNVBAGLBSA-N 237.255 0.978 10 10 BCCE CN1CC(=O)N[C@@H]1c1ccc(F)c(F)c1O 864373265 GDQGIKUZRBIPDV-JTQLQIEISA-N 228.198 0.731 10 10 BCCE NC[C@@H]1C[C@@H]1CNC(=O)c1ccc(O)c(O)c1 1907251993 QMLBMAVPSBIUFO-DTWKUNHWSA-N 236.271 0.422 10 10 BCCE COCCCNC(=O)[C@@H](C)N(C)CCN=[N+]=[N-] 1912153718 DAGWUISCNAMYNE-SECBINFHSA-N 243.311 0.770 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCC(=O)N1 1912176532 AHJGGHWDSFHJCY-SSDOTTSWSA-N 225.252 0.424 10 10 BCCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)[C@H]1CCNC1 1912205237 NPMWZUYEPYGRCN-WCBMZHEXSA-N 241.295 0.729 10 10 BCCE C[C@H](c1c(O)cccc1O)N1CC(O)(CN)C1 1949113185 VVVQVQQNRUQAFL-MRVPVSSYSA-N 238.287 0.164 10 10 BCCE COC(=O)[C@H](CN)Cc1ccc(O)c(O)c1 1951525339 UFXURCQRSPFVMJ-QMMMGPOBSA-N 225.244 0.388 10 10 BCCE CN(C)Cc1cc([C@H]2CNC(=O)CN2)ccc1O 1952357968 ZSDLIMIXOPJTDH-LLVKDONJSA-N 249.314 0.214 10 10 BCCE COCCCNC(=O)NCCN=[N+]=[N-] 1957018147 VUPBOJPESFMDPH-UHFFFAOYSA-N 201.230 0.632 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@H]2CCNC2=O)C1 1986758761 ROQWHLBTJDSCRJ-DTWKUNHWSA-N 223.280 0.897 10 10 BCCE COCCOc1ccccc1NC[C@H](O)CN 1999216077 UKFVKDVLOJNUMY-SNVBAGLBSA-N 240.303 0.443 10 10 BCCE COCCNCCNCc1ccc(O)c(O)c1 2015115993 PAWRRQLVVGDJAO-UHFFFAOYSA-N 240.303 0.423 10 10 BCCE c1cc2c(cc1CNCCn1cnnn1)CCO2 2029965802 CFPDHSNYVYSBES-UHFFFAOYSA-N 245.286 0.398 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@@H]2OCC[C@@H]21 2034372234 VBMYXEGQDWTUPH-ONOSFVFSSA-N 247.298 0.957 10 10 BCCE COc1ccc(N2C[C@@H](N)C[C@H](C(N)=O)C2)cc1 2044339431 XCJGHCGZLFXLOX-UWVGGRQHSA-N 249.314 0.334 10 10 BCCE NCC1=CCN(C(=O)c2ccc(O)c(O)c2)CC1 2051350044 JWHNZXYTERPNEC-UHFFFAOYSA-N 248.282 0.829 10 10 BCCE CCn1c(C2=C[C@@H](O)[C@H](N)C2)nc2cnccc21 2067766222 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CCOc1ccc(N2CC(=O)NC(=O)[C@H]2C)cc1 74414758 LKNFMBKGCOSZJA-SECBINFHSA-N 248.282 0.937 10 10 BCCE CC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O 163265866 LJRLWUXZFLSEPL-ZCFIWIBFSA-N 223.228 0.805 10 10 BCCE CO[C@@H](C(C)C)[C@@H](NCCN=[N+]=[N-])C(N)=O 386164645 VMNKXHVVDORJGZ-SFYZADRCSA-N 229.284 0.411 10 10 BCCE C[C@@H](O)CNCc1cc(O)c(O)c([N+](=O)[O-])c1 83370066 RLBVCWVNEUBZNP-ZCFIWIBFSA-N 242.231 0.476 10 10 BCCE Nc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1 202204488 KYKHAPIDVIXIRH-NWDGAFQWSA-N 222.288 0.591 10 10 BCCE COC[C@@]1(C)CN[C@H](CN=[N+]=[N-])OC1 1912144093 OJJHRMFYJLRYCB-JGVFFNPUSA-N 200.242 0.895 10 10 BCCE CCOC1([C@@H](NCCCN=[N+]=[N-])C(N)=O)CC1 1912197040 OIWKXXYDVIADND-QMMMGPOBSA-N 241.295 0.699 10 10 BCCE COC(=O)[C@@H](NCCN=[N+]=[N-])C1(OC)CC1 1912157915 ZQKHBLDBICHRHV-SSDOTTSWSA-N 228.252 0.607 10 10 BCCE CN1CCN(C(=O)N2CC[C@H](N=[N+]=[N-])C2)CC1 1912200622 JSHLTYRPPIKTNI-VIFPVBQESA-N 238.295 0.738 10 10 BCCE COC1(Cc2ccc(O)c(O)c2O)CNC1 1535831999 DCCUPCOWDFRUOZ-UHFFFAOYSA-N 225.244 0.334 10 10 BCCE CC(=O)C(=O)[C@@]1(O)COC[C@H]1CC(C)C 1929246664 NXQWLJOFALORDA-MWLCHTKSSA-N 214.261 0.568 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@](N)(C(=O)O)C1 1962300448 QPWYCTKTRLVOPY-QMMMGPOBSA-N 213.241 0.175 10 10 BCCE NCc1ccc(N2CC[C@@H]2C(N)=O)c(Cl)c1 1936591330 QUOPFJKBOXZRRP-SNVBAGLBSA-N 239.706 0.863 10 10 BCCE N[C@@H](CF)CNC(=O)c1cccc(O)c1O 1937666967 SRYVGGJEJIHTGE-LURJTMIESA-N 228.223 0.124 10 10 BCCE Nc1ccc(CNC(=O)CN2CCCC2)cc1 1943939579 ACLPFQNTPQDGAH-UHFFFAOYSA-N 233.315 0.981 10 10 BCCE NCC1CC(NCCc2ccc(O)c(O)c2)C1 1943629286 MIJJGUPLCKVCEW-UHFFFAOYSA-N 236.315 0.967 10 10 BCCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](F)C2)cc1 1944243362 CVXOVFPCGUQWKX-ZJUUUORDSA-N 239.250 0.815 10 10 BCCE COc1ccc(CNCCOCCO)c(O)c1 40906027 AXBKXDZIJFNORC-UHFFFAOYSA-N 241.287 0.499 10 10 BCCE CCN1C[C@@H](O)[C@H](N(C)c2ccc(N)cc2)C1 1950839888 OHCUOOONZXQCAL-CHWSQXEVSA-N 235.331 0.770 10 10 BCCE NC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C1CC1 1967133694 XCNXVMMKLZKRGX-LBPRGKRZSA-N 247.298 0.191 10 10 BCCE CC(C)[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H](C)N 2003173321 WTSGYRLWSZJOAG-DNRKLUKYSA-N 240.347 0.871 10 10 BCCE [N-]=[N+]=NCCN1C[C@H](N)C2(CCOCC2)C1 1982242573 OWKLLRVEWJEZGA-VIFPVBQESA-N 225.296 0.736 10 10 BCCE Cc1cc(=NCc2ccc(N)cc2)[nH]c(=N)[nH]1 2005690441 OPJZKTXSNPUQTE-UHFFFAOYSA-N 229.287 0.814 10 10 BCCE O=C1NOC[C@H]1NCc1ccc(F)cc1O 1994511976 XSUCMCXZGWPKJA-MRVPVSSYSA-N 226.207 0.051 10 10 BCCE CC(C)[C@H]1C[C@]1(N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2021229195 ZUFIOJUCOIZHPQ-VWMGYNLJSA-N 238.331 0.625 10 10 BCCE CCc1cccc(CN[C@@H]2CC(=O)NC2=O)c1O 2034957132 JRUGSXNUZFIWDF-SNVBAGLBSA-N 248.282 0.459 10 10 BCCE O=C(N[C@@H]1C[C@@H]2NCC[C@H]21)c1ccc(O)c(O)c1 2037302210 WFGXILNUMGHSNT-KXUCPTDWSA-N 248.282 0.578 10 10 BCCE O=C1CN[C@@H](c2cc(Cl)cc(F)c2O)N1 308932319 MRDPOYMWXLQYIM-SECBINFHSA-N 230.626 0.903 10 10 BCCE Nc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1 317684386 QFHHXSCFNNEQRZ-KWQFWETISA-N 208.261 0.058 10 10 BCCE Oc1n[nH]c(CNCc2cccc(O)c2O)n1 392366869 HRHJXUVDWSLRAS-UHFFFAOYSA-N 236.231 0.211 10 10 BCCE NCc1cn(Cc2cccc(F)c2O)nc1O 2070690550 RPLLLEDBYDOAPY-UHFFFAOYSA-N 237.234 0.940 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@@H]1CO 2078309095 ZMJGHWGAVZRPCG-AEJSXWLSSA-N 249.266 0.551 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]2[C@H]1CO 2078309097 ZMJGHWGAVZRPCG-IVZWLZJFSA-N 249.266 0.551 10 10 BCCE OCC1(O)CN(c2ccc3c(c2)COCC3)C1 2214147690 JRVXYSNKKGNGGT-UHFFFAOYSA-N 235.283 0.303 10 10 BCCE Nc1nc[nH]c(=NCc2ccccc2O)c1N 2216994714 LCIOAZGHIWMWJG-UHFFFAOYSA-N 231.259 0.381 10 10 BCCE CO[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3N)C[C@H]1O 2310504377 XKRGLBPKJNJKRH-BFHYXJOUSA-N 248.326 0.829 10 10 BCCE COC(=O)NC1CN(c2ccc(CN)cc2C)C1 2326906338 XTZGDIYMOYJTBP-UHFFFAOYSA-N 249.314 0.998 10 10 BCCE Oc1ccc2c(c1O)CCN[C@@H]2C1CNC1 75793816 ICCNAEYOTDUSEE-LLVKDONJSA-N 220.272 0.504 10 10 BCCE Cc1cc([C@H](C)N)ccc1N1CC(NC(N)=O)C1 2223926436 UKQAICJFNFFAOL-VIFPVBQESA-N 248.330 0.872 10 10 BCCE COC[C@@H](O)CN(C)c1ccc(CN)c(F)c1 135224605 DGTMGOIMBZXZHL-NSHDSACASA-N 242.294 0.728 10 10 BCCE CCOC(=O)C1(NCCN=[N+]=[N-])COC1 87597868 UNFMWCGMSJYSPC-UHFFFAOYSA-N 214.225 0.218 10 10 BCCE Nc1ccc(CC(=O)NCCc2ncno2)cc1 231768672 NVLSPHWTIXCXFZ-UHFFFAOYSA-N 246.270 0.553 10 10 BCCE NC(=S)CCNC(=O)c1ccc(O)c(O)c1 236167842 MOGGVFHUZCQYQO-UHFFFAOYSA-N 240.284 0.504 10 10 BCCE CCN(Cc1nnn(C)n1)c1ccc(CN)cc1 233501183 SOWHUHHSFGKEFB-UHFFFAOYSA-N 246.318 0.695 10 10 BCCE COc1ccc(N(C)C[C@@H](O)CN)cc1C 259021432 OEBHATKFODTIOX-NSHDSACASA-N 224.304 0.759 10 10 BCCE Cc1c([C@@H](O)C(=O)O)cc(O)c(O)c1C 257980935 FATIHGZDJOBREU-SECBINFHSA-N 212.201 0.833 10 10 BCCE CC(=O)C(=O)COC(=O)C[C@@H](O)CC(C)(C)C 808550450 GXKXASLZOKHFQP-SECBINFHSA-N 244.287 0.875 10 10 BCCE CC(=O)C(=O)[C@]1(O)CN[C@@H]2CCCC[C@H]2C1 2242752835 DUPVQELFZQBDMA-HOSYDEDBSA-N 225.288 0.428 10 10 BCCE COC(=O)[C@@H](F)CNC(=O)c1cc(O)cs1 839796870 FTGHKXFCKNVTDI-LURJTMIESA-N 247.247 0.695 10 10 BCCE Cn1cnnc1[C@@H](N)Cc1ccc(O)c(O)c1 54497441 LMWBWKNRRQFFLV-QMMMGPOBSA-N 234.259 0.469 10 10 BCCE Cn1nnc(C[C@H](O)CCc2ccc(N)cc2)n1 695825291 GABMGPBRKOJPKI-LLVKDONJSA-N 247.302 0.329 10 10 BCCE COc1ccc(O)c([C@H]2NC(=O)[C@@H](C)N2)c1 390636176 LXIKEDISXYDPNQ-LHLIQPBNSA-N 222.244 0.507 10 10 BCCE O=C(NCc1cc(O)ccc1O)c1cnccn1 1153879354 LOYYIYJKRMTTLC-UHFFFAOYSA-N 245.238 0.818 10 10 BCCE [N-]=[N+]=NCCN1C(=O)CN(C2CC2)C1=O 1961262845 RLINHIOGKRYIMO-UHFFFAOYSA-N 209.209 0.723 10 10 BCCE C[C@@H]1N[C@H](c2ccc(N(C)C)cc2)CNC1=O 212314187 RBVHXMFJVGBIFG-CABZTGNLSA-N 233.315 0.902 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2)C1 1912149121 BLVJAVIDPVGJBH-YUMQZZPRSA-N 237.263 0.566 10 10 BCCE COCCONC(=O)CCc1ccc(N)cc1 156140449 JFQOENIBVAISGK-UHFFFAOYSA-N 238.287 0.896 10 10 BCCE O=C1NC(=S)S/C1=C/c1cnc[nH]1 206125339 IIVVOGXJLNLYNA-ORCRQEGFSA-N 211.271 0.899 10 10 BCCE C[C@@H]1NC(=O)N(Cc2ccccc2O)C1=O 1939877560 FPVNQICNZYGEDE-ZETCQYMHSA-N 220.228 0.833 10 10 BCCE NCC12CC(CN1C(=O)Cc1ccc(N)cc1)C2 852858480 AYXNEANRZOWHSM-UHFFFAOYSA-N 245.326 0.761 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)NC(N)=O)CC1 1949761188 BUPQYZHVZBPWRX-SSDOTTSWSA-N 240.267 0.346 10 10 BCCE C[C@@](N)(C(=O)O)c1ccc(O)c(O)c1O 1951867239 IPZWRVPBJZUPFB-VIFPVBQESA-N 213.189 0.062 10 10 BCCE C[C@@H]1C[C@H](CNC(=O)Cc2ccc(N)cc2)CN1 1967166425 YQIHSOAUMBBHTR-PWSUYJOCSA-N 247.342 0.926 10 10 BCCE O=C(NCc1ccccc1O)[C@@H]1C=CCN1 1969154499 NQTKMELKPQKHGC-JTQLQIEISA-N 218.256 0.536 10 10 BCCE COc1ccc(N2CCC[C@](N)(CO)C2)cc1 259051434 WRNJWMXHNHJGPA-CYBMUJFWSA-N 236.315 0.985 10 10 BCCE Nc1ccc(OCCN2C[C@H](O)CO2)cc1 1981347629 ZFJVYRNTSKYRSE-JTQLQIEISA-N 224.260 0.256 10 10 BCCE Oc1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1O 1987495185 KJAVMWDJQHDJJP-UWVGGRQHSA-N 220.272 0.644 10 10 BCCE C[C@@H](O)CC(=O)NCCc1ccc(N)cc1 1990071526 SWKYJXPGEVPZQC-SECBINFHSA-N 222.288 0.698 10 10 BCCE N[C@H](c1ccccc1O)[C@@]1(O)CCOC[C@H]1F 2013771207 YCGMQYBWHGQNQR-IJLUTSLNSA-N 241.262 0.882 10 10 BCCE Cc1ccc(O)c(CN2C[C@@H](O)C[C@H]2CN)c1 2014242271 FZMJIDSOSFZNMX-RYUDHWBXSA-N 236.315 0.595 10 10 BCCE O=C(N=c1cco[nH]1)c1cc(O)c(O)c(O)c1 2015074902 MIDAJLQMNGZPIX-UHFFFAOYSA-N 236.183 0.466 10 10 BCCE CN1CCc2cc([C@H]3N[C@H](C(=O)O)CO3)ccc21 2027871343 RVROOHVGMYLAII-JQWIXIFHSA-N 248.282 0.751 10 10 BCCE NC(=O)C1CN(CCCOc2ccc(N)cc2)C1 381975400 VVEDAQYTHCMRCM-UHFFFAOYSA-N 249.314 0.455 10 10 BCCE Cc1ccc([C@@H](C)N[C@@H]2CN(C)NC2=O)c(O)c1 393900315 JBGNEWRNENAHHK-MWLCHTKSSA-N 249.314 0.696 10 10 BCCE CC1(O)CN(CCC(=O)Nc2ccc(N)cc2)C1 394930612 MNEHVXAHXRVLJR-UHFFFAOYSA-N 249.314 0.664 10 10 BCCE CNC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2071643446 BPVIVARAKJPIHM-UHFFFAOYSA-N 248.286 0.008 10 10 BCCE CCN(CC(N)=O)c1ccc(OC)cc1C=O 2214857619 CEJDBIXIZVMMHZ-UHFFFAOYSA-N 236.271 0.819 10 10 BCCE COC[C@H]1C[C@H](CN)N(CCCN=[N+]=[N-])C1 2245289489 JZIMBJFKJQSGKA-VHSXEESVSA-N 227.312 0.982 10 10 BCCE C[C@@H]1NCC[C@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1C 2304109658 LGRITZHUDDFYEZ-OYNCUSHFSA-N 240.311 0.128 10 10 BCCE CC(=O)N(C)C1CN(CCc2ccc(N)cc2)C1 2328085176 LWUQQNQJUAQUSG-UHFFFAOYSA-N 247.342 0.974 10 10 BCCE C[C@@H](C(N)=O)N1CCN(c2ccc(N)cc2)CC1 57470033 OSIAXNUMYQXXDB-JTQLQIEISA-N 248.330 0.265 10 10 BCCE C[C@H](O)CN(C)c1cc2c(cc1N)OCCO2 51819659 XPRUEXRYPMGXFI-QMMMGPOBSA-N 238.287 0.857 10 10 BCCE C[C@@](N)(CO)c1c(F)ccc(C(=O)O)c1O 309199661 MXXLUVCEGAGHQD-SNVBAGLBSA-N 229.207 0.396 10 10 BCCE Cc1cc(CN)ccc1N1CCN(CCO)CC1 37733248 CUNHDVCQLIXJIG-UHFFFAOYSA-N 249.358 0.568 10 10 BCCE NCc1ccc(N2CC[C@H](C(N)=O)C2)cc1F 236230120 AJHCNUMXDRHYPP-VIFPVBQESA-N 237.278 0.596 10 10 BCCE C[C@@H](C(=O)NCc1ccccc1O)C1CNC1 228424081 QAKKANWTCLRPCA-SECBINFHSA-N 234.299 0.864 10 10 BCCE C[C@H](C[S@](C)=O)NCc1cccc(O)c1O 228968679 BSOVYPOYPIXIJQ-BCTVWOGZSA-N 243.328 0.954 10 10 BCCE CC[C@H](NCc1cccc(O)c1O)C(N)=O 382079700 HXVWXUOOIHIESY-QMMMGPOBSA-N 224.260 0.451 10 10 BCCE Cc1ccc([C@H](N)CS(C)(=O)=O)c(O)c1 95779602 STLNZKGIXDDEBS-SECBINFHSA-N 229.301 0.745 10 10 BCCE CCOC(=O)/C=C1/SC(N)=NC1=O 90461148 DILXOGLCYLUBOU-ONEGZZNKSA-N 200.219 0.022 10 10 BCCE CCOC(=O)[C@H](N)c1cc(C)c(O)c(O)c1 260081181 JQPHEOQKROOUMR-SECBINFHSA-N 225.244 0.969 10 10 BCCE CCC[C@H](N)[C@H](N)c1c(O)cc(O)cc1O 713788882 GLEPAUUKXLBITK-CPCISQLKSA-N 226.276 0.931 10 10 BCCE O=C1CN[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 390801697 ZULBNLUKRWLDCP-SECBINFHSA-N 223.188 0.018 10 10 BCCE CNC(=O)CC[S@](=O)Cc1ccc(N)cc1 399362781 PGPNQEVVTBORFD-INIZCTEOSA-N 240.328 0.654 10 10 BCCE Cn1cc(CC(=O)NCc2ccc(N)cc2)cn1 694985664 WRCAXEWEHXNYDD-UHFFFAOYSA-N 244.298 0.861 10 10 BCCE CN(CCCN=[N+]=[N-])C[C@H]1CN(C)CCO1 709389315 HTWLQGFNBWVNKU-JTQLQIEISA-N 227.312 0.949 10 10 BCCE COc1ccc(N2C[C@@H](N)[C@H](OC)C2)c(F)c1 1907963732 IHKIYOULUYOYCF-ZYHUDNBSSA-N 240.278 0.997 10 10 BCCE CN(CCN=[N+]=[N-])CCN1CCOC1=O 1912167908 QLKLTGJPAGSWKF-UHFFFAOYSA-N 213.241 0.681 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1912189048 TUSNSKBFXRLWBF-JGVFFNPUSA-N 237.263 0.424 10 10 BCCE CCCNC(=O)[C@H](C)N1CC(N=[N+]=[N-])C1 1912169850 PPDWIQKOAVHLMK-ZETCQYMHSA-N 211.269 0.896 10 10 BCCE CN(CCN=[N+]=[N-])Cc1c(C(=O)O)cnn1C 1912211227 UFEZUPKJAABEMW-UHFFFAOYSA-N 238.251 0.860 10 10 BCCE COc1ccc2c(c1)NC(=O)[C@H](CCN)N2C 214291452 CNCSDAPWSBEURM-NSHDSACASA-N 235.287 0.801 10 10 BCCE NCCCNCCc1ccc(O)c(O)c1 1929416625 SPHJHXLRKMLKLG-UHFFFAOYSA-N 210.277 0.579 10 10 BCCE Cn1cnc(C(=O)[C@@H]2CCC(=O)C2=O)c1 1932573716 OFJQAFZRDFYMJH-LURJTMIESA-N 206.201 0.151 10 10 BCCE Cc1cccc(N)c1N[C@@H]1COC[C@H]1CO 1937179626 IVPZNNUACWARMU-MWLCHTKSSA-N 222.288 0.996 10 10 BCCE COC1CC(NCCCN=[N+]=[N-])(C(=O)O)C1 234661986 AJUBNPUDSSZZKD-UHFFFAOYSA-N 228.252 0.909 10 10 BCCE CN(C(=O)Cc1ccc(N)cc1)C1[C@H]2CNC[C@H]12 1122478553 ISOFBJBTUUPBAD-RYUDHWBXSA-N 245.326 0.488 10 10 BCCE CN1C(=O)C[C@@H](OCc2ccc(N)cc2)C1=O 1947031239 AMLLUKFYGZTOFJ-SNVBAGLBSA-N 234.255 0.543 10 10 BCCE COC[C@H](NCc1cc(F)ccc1O)C(N)=O 1947025061 QSBOAJRYCLBCMR-VIFPVBQESA-N 242.250 0.121 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1cccn2nncc12 1965102505 PWKHYTSWANWVIN-UHFFFAOYSA-N 231.219 0.769 10 10 BCCE O=C(O)[C@H]1CNC[C@@H]1Cc1ccc(O)c(O)c1 1951602910 UUCPYWYGVISIDU-IUCAKERBSA-N 237.255 0.561 10 10 BCCE CNC(=O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 1975318695 NZOZZXGWBVJICP-YUMQZZPRSA-N 211.269 0.896 10 10 BCCE COC[C@@H](CF)NCc1ccc(O)c(O)c1O 2005357468 KEYFDHLHVMHAFI-MRVPVSSYSA-N 245.250 0.878 10 10 BCCE CN(CC[C@H](O)CO)c1ccc(CN)cc1 1977847326 HFHULFRRIXFIEF-LBPRGKRZSA-N 224.304 0.325 10 10 BCCE CC(=O)C(=O)[C@@H](O)C1([C@@H]2CCCCO2)CC1 1978606794 ONRDCISUAGUZNY-GXSJLCMTSA-N 226.272 0.855 10 10 BCCE Nc1ccc(COC[C@H]2CCNC2=O)cc1 1986750256 ZVZQTSQIVIOCSK-SNVBAGLBSA-N 220.272 0.922 10 10 BCCE COc1cccc(O)c1CNN1CCOCC1 1997941630 UKPYHAVWFXVXIJ-UHFFFAOYSA-N 238.287 0.738 10 10 BCCE CN(C)c1ccc([C@@H](NN)c2cnn[nH]2)cc1 1999526621 CDYDPERGGAVPGZ-LLVKDONJSA-N 232.291 0.423 10 10 BCCE N[C@@H]1CCc2cc(N3CCNC(=O)C3)ccc21 2012699226 DJFGVMQWSKTTHT-GFCCVEGCSA-N 231.299 0.569 10 10 BCCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1 2014973478 BOIBIEUOLVUBGQ-ICCXJUOJSA-N 237.299 0.672 10 10 BCCE Cc1ncn(C)c1[C@@H](NCCN=[N+]=[N-])C(=O)O 2015153306 NPNQUBVMJDXMQW-SSDOTTSWSA-N 238.251 0.754 10 10 BCCE NC[C@H]1CCN1C(=O)COc1ccc(N)cc1 2016983017 KNAVYEGYKCBXAS-SNVBAGLBSA-N 235.287 0.207 10 10 BCCE CN[C@H](C)c1ccc(N2CC[C@H]2C(N)=O)cc1O 2028925950 DKPFHEAPSIEIQU-KCJUWKMLSA-N 249.314 0.737 10 10 BCCE Nc1ccc(COCCN2C(=O)CNC2=O)cc1 695149590 NIDCOKIHTFPIOM-UHFFFAOYSA-N 249.270 0.337 10 10 BCCE C[C@H](O)c1ccc(N(C)[C@@H]2CC(=O)NC2=O)cc1 2051506105 IQVAUKVNLSNNOS-GZMMTYOYSA-N 248.282 0.591 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CC=CC[C@H]1CO 2056320487 RXGRTCFVRXJCCU-JTQLQIEISA-N 249.266 0.861 10 10 BCCE Oc1ccc(CCN[C@@H]2CCN[C@H]3C[C@H]32)cc1O 2057569617 SXBCPUZVCKLVIK-TUAOUCFPSA-N 248.326 0.980 10 10 BCCE OCC1(O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2065021811 GIRAWJDLQUHCSI-CYBMUJFWSA-N 249.310 0.600 10 10 BCCE C[C@H](c1ccccc1O)N(C)C1=NC[C@@H](O)CN1 2072449098 URJUTEDRWNWGCE-SECBINFHSA-N 249.314 0.705 10 10 BCCE Nc1ccc(CNCCN2CCCO2)cc1 2210504319 KPYXLSKIVYRCCO-UHFFFAOYSA-N 221.304 0.996 10 10 BCCE CN(Cc1ccccc1O)C(=O)[C@H]1NC[C@@H]2C[C@H]12 2308354413 UGAQFGDDNWQAPB-GVXVVHGQSA-N 246.310 0.959 10 10 BCCE 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225.200 0.248 10 10 BCCE COc1ccc(CN[C@@H]2CNC(=O)C2)cc1C 228959675 QKQAXJUPNYYLOP-NSHDSACASA-N 234.299 0.982 10 10 BCCE CCNCC(=O)N1C(=O)CCc2cc(N)ccc21 258806631 WKFDGGNUILOCDJ-UHFFFAOYSA-N 247.298 0.684 10 10 BCCE O=[N+]([O-])c1ccc(O)c([C@H](CO)NO)c1 308953407 IBRHZMGCVJRUOC-ZETCQYMHSA-N 214.177 0.313 10 10 BCCE C[C@@H](O)CN(CCO)Cc1cc(N)ccc1O 384080633 SUYXIWNBHJZRQO-SECBINFHSA-N 240.303 0.150 10 10 BCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CC1 713275035 DEYNLGMUPGIASK-VIFPVBQESA-N 237.255 0.673 10 10 BCCE CCC[C@@H](N)[C@H](N)c1ccc(O)c(O)c1O 713802645 BHOAISBRDUNKRK-VXNVDRBHSA-N 226.276 0.931 10 10 BCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnc[nH]1 724781782 UDEZZGNWDJIVBA-SSDOTTSWSA-N 224.224 0.524 10 10 BCCE C[C@@H](NC(=O)c1cc(O)cs1)C(N)=O 732258462 BCDVNAQIVYSFMT-SCSAIBSYSA-N 214.246 0.057 10 10 BCCE CC(=O)C(=O)COC(=O)c1ccn(C(F)F)n1 808533038 FBLHOTISWINYJR-UHFFFAOYSA-N 246.169 0.593 10 10 BCCE CC(=O)C(=O)COC(=O)CN1[C@@H](C)CC[C@H]1C 808544360 YYBRHDVFYHFCJM-DTORHVGOSA-N 241.287 0.561 10 10 BCCE O=C(CC1COC1)NCc1ccc(O)c(O)c1 1331923325 FNONRUQGVYZPAW-UHFFFAOYSA-N 237.255 0.751 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)N1CCOCC1 1912148437 SWMLTAPAUXZJEE-UHFFFAOYSA-N 213.241 0.681 10 10 BCCE Cn1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)nc1O 1912158494 XUXWTJNROLGOBS-LURJTMIESA-N 236.235 0.651 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)N1CC[C@H](O)C1 1912182326 AGXWSJGBRYIWTJ-ZETCQYMHSA-N 213.241 0.415 10 10 BCCE CCNC1CN(Cc2ccc(O)cc2O)C1 1938659618 QVHUZMZJLJRGLD-UHFFFAOYSA-N 222.288 0.892 10 10 BCCE Nc1ccc(N2C[C@]3(CO)C[C@@]3(CO)C2)cc1 1942485775 YAQYFXGXRLBFOG-STQMWFEESA-N 234.299 0.450 10 10 BCCE CN1CCO[C@@H]2CN(c3ccc(N)cc3)C[C@@H]21 1948385817 ZRPKLJVBRZKGFT-QWHCGFSZSA-N 233.315 0.788 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)N2CCC[C@@H]2CO)C1 1978726968 WXMUTUUUKHMWCU-MRVPVSSYSA-N 225.252 0.558 10 10 BCCE CCCN(CCN=[N+]=[N-])[C@H]1CC(=O)NC1=O 1981042430 ZSVIZJQAIIEDSK-ZETCQYMHSA-N 225.252 0.424 10 10 BCCE C[S@@](=O)C1CN(CCc2ccc(N)cc2)C1 1981167470 NNEWMTTZNXTKGD-MRXNPFEDSA-N 238.356 0.874 10 10 BCCE 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BCCE CN1CCN(CCOc2ccc(N)cc2)C(=O)C1 2051527482 DSIGNCJYOFKBCY-UHFFFAOYSA-N 249.314 0.422 10 10 BCCE C[C@H](O)[C@H]1CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2061816914 FRBDZCXJGHQEPB-BPTDKIDVSA-N 247.298 0.598 10 10 BCCE Nc1ccc(CN2C[C@@H]3C[C@H](C2)[C@@H](O)[C@@H]3O)cc1 2062316833 VULZRLKWDLANKV-ZMJPVWNMSA-N 248.326 0.442 10 10 BCCE Nc1ccc(NC(=O)CN2C[C@@H]3COC[C@@H]32)cc1 2066311443 YMPZLYRHXAAWPO-SKDRFNHKSA-N 247.298 0.538 10 10 BCCE C[C@@H]1Cc2cc(N3CC(O)(CO)C3)ccc2O1 2214135720 BICFPALZWWADCP-SECBINFHSA-N 235.283 0.553 10 10 BCCE COc1ccc(N2CC(O)(C(N)=O)C2)c(C)c1 2214205979 TZOLYIWCABBBFS-UHFFFAOYSA-N 236.271 0.040 10 10 BCCE O=C1C[C@H](NCc2cccc(F)c2O)CO1 2246287359 UPLCGZUKRZYMRZ-QMMMGPOBSA-N 225.219 0.936 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(N)=O)C1 2248226150 HYRVLILPVGAVKI-FXQIFTODSA-N 237.263 0.267 10 10 BCCE C[C@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1 2249562434 FDEZYWPBDWUNGH-XDTLVQLUSA-N 237.299 0.672 10 10 BCCE Nc1ccc(NC[C@H]2COCC3(CNC3)O2)cc1 2253561763 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0.493 10 10 BCCE Cn1cc(C(=O)NCc2ccc(O)cc2O)nn1 1626847643 FPOPVCRUGTXBSR-UHFFFAOYSA-N 248.242 0.156 10 10 BCCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@H]1C[C@@]2(C)N 1905178316 ZOJDJEFQNQVBJR-RBLKWDMZSA-N 225.288 0.413 10 10 BCCE CN(CCCN=[N+]=[N-])[C@H]1CC(=O)NC1=O 1912151117 CRSOWEAQRGJHRG-LURJTMIESA-N 211.225 0.034 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(CCN2CCCC2=O)C1 1912202007 AHPLQTNKDNKFOR-VIFPVBQESA-N 223.280 0.993 10 10 BCCE CN(C(=O)CN(C)C1COC1)c1ccc(N)cc1 1915705264 YWGINAVMDFESLN-UHFFFAOYSA-N 249.314 0.562 10 10 BCCE C[C@@H](Nn1cnnc1)c1cc(O)ccc1O 1936594882 CYPPPQGHEANQTE-SSDOTTSWSA-N 220.232 0.994 10 10 BCCE NC[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1O 1951175157 XOUOWEUCSXLNCS-ONGXEEELSA-N 234.299 0.993 10 10 BCCE COC[C@@H](N)Cc1cc(O)c(O)c(O)c1 1951719549 BATPJCUBEPGFBJ-ZETCQYMHSA-N 213.233 0.320 10 10 BCCE COc1cccc([C@@H]2NCCN(C)C2=O)c1O 1951854064 ITBDFPUGJZXAJH-JTQLQIEISA-N 236.271 0.504 10 10 BCCE O=C1CN[C@H](c2cc(F)ccc2O)CN1 1951868547 AYKSDMJXMLADLL-QMMMGPOBSA-N 210.208 0.292 10 10 BCCE 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2071705763 HYIZHWCGFJWJPM-ZDUSSCGKSA-N 245.326 0.846 10 10 BCCE O=C(Nc1nccc(O)n1)c1ccc(O)c(O)c1 2072491430 ZCXQYDLNPCHOBP-UHFFFAOYSA-N 247.210 0.846 10 10 BCCE [N-]=[N+]=NCC[C@H](NC(=O)C(F)(F)F)C(=O)O 2081067924 PNUQXCRIWJMBDP-VKHMYHEASA-N 240.141 0.819 10 10 BCCE CC[C@@H](CO)NC=C1SC(=S)NC1=O 2293637536 VSPLVNJXKIDXIL-YFKPBYRVSA-N 232.330 0.336 10 10 BCCE CO[C@@H](CN)CNCCc1ccc(O)c(O)c1 2307144003 BRUXNUWJUGELOU-JTQLQIEISA-N 240.303 0.204 10 10 BCCE O=C1CCC[C@H](C(=O)c2nnn3c2CCC3)C1=O 2316596297 CRGXSAVAHDPROF-ZETCQYMHSA-N 247.254 0.345 10 10 BCCE NC(=O)[C@@H]1CCCN1CCc1ccc(N)cc1 35677203 KKHIDSLPESFKPW-LBPRGKRZSA-N 233.315 0.761 10 10 BCCE CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(O)cc1O 42560318 HBQFBAADLBNWTH-JGVFFNPUSA-N 238.287 0.883 10 10 BCCE COc1ccc(N2CC(=O)NC(C)(C)C2)cc1N 84576033 DJLIFKHSWSDYFE-UHFFFAOYSA-N 249.314 0.992 10 10 BCCE Nc1c(F)ccc([C@H](N)C(F)(F)CO)c1O 95717266 OVIZONAKEBJJFZ-QMMMGPOBSA-N 236.193 0.741 10 10 BCCE [N-]=[N+]=CC(=O)c1ccc2c(c1)CC(=O)N2 106878885 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CC[C@@H]1C(=O)NC(=O)CN1Cc1ccc(N)cc1 97317900 XQYVMANNMLRPRT-LLVKDONJSA-N 247.298 0.506 10 10 BCCE CC(C)N(CCO)C(=O)c1cccc(O)c1O 126331704 MSKSWGVGYCXVOU-UHFFFAOYSA-N 239.271 0.941 10 10 BCCE CCOC(=O)C(=O)NCCc1ccc(N)cc1 169814659 RKHQRQZYTUMJNE-UHFFFAOYSA-N 236.271 0.491 10 10 BCCE COCCONC(=O)c1ccc(O)c(O)c1 227038190 ZBJSLWGPUMVNAF-UHFFFAOYSA-N 227.216 0.406 10 10 BCCE C[C@H](N[C@@H]1CNC(=O)C1)c1ccccc1O 228925450 ZCXJOFSNVDVJQC-IUCAKERBSA-N 220.272 0.931 10 10 BCCE Nc1ccc(CN2CCC[C@@H]3C(=O)NC[C@@H]32)cc1 232279114 LLSYFJQYMDVFTB-STQMWFEESA-N 245.326 0.979 10 10 BCCE CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])CC(=O)O[C@@H]1C 238486399 BXOQVUFSYGVGTD-YFEGFQIRSA-N 213.193 0.932 10 10 BCCE O=C(O)[C@@]1(c2ccccc2O)COCCCN1 258315665 RFINHYJUZVZQSN-LBPRGKRZSA-N 237.255 0.682 10 10 BCCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](CO)O1 299910209 LMHUKNIWLVFJBM-JGVFFNPUSA-N 200.242 0.378 10 10 BCCE [N-]=[N+]=N[C@H]1C(=O)N2[C@H](C(=O)O)SC[C@H]12 306324190 FXKQQWIVAOMAIA-KUCRYNDESA-N 214.206 0.034 10 10 BCCE 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10 10 BCCE NCc1cn(Cc2cc(F)ccc2O)nc1O 2070690115 ISKZXVBNUCITJF-UHFFFAOYSA-N 237.234 0.940 10 10 BCCE Nc1ccc(CCC(=O)N[C@H]2COC[C@H]2N)cc1 2071690874 BMSRVNFASHTQKI-NEPJUHHUSA-N 249.314 0.044 10 10 BCCE CNCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1 2081454453 GFUWSJRNYNVTSH-VXGBXAGGSA-N 245.326 0.574 10 10 BCCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(F)c1 2081458678 YYBHUVWTYCDUDY-GDGBQDQQSA-N 249.289 0.452 10 10 BCCE Nc1ccc(CCOc2cnc(N)c(N)n2)cc1 2085444307 CGKQYYFRBUNLSH-UHFFFAOYSA-N 245.286 0.845 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CCO3)CCO1 2214195681 DZTFYTCQYBOHLJ-GFCCVEGCSA-N 235.283 0.819 10 10 BCCE COc1ccc(N2CCC[C@@H]2C(N)=O)c(C=O)c1 2220422327 XWQWHWURVVGPEF-GFCCVEGCSA-N 248.282 0.962 10 10 BCCE CSc1ncc(CNS(N)(=O)=O)s1 2241620185 CPMNKDZAWPCLDL-UHFFFAOYSA-N 239.347 0.158 10 10 BCCE Cc1cc(N2CC([C@@H](O)CO)C2)ccc1CN 2300041722 JRNXIAYJSIKDID-ZDUSSCGKSA-N 236.315 0.243 10 10 BCCE Nc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1 2310834202 ZUUKZPALGJITKD-RFGFWPKPSA-N 248.326 0.727 10 10 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COCC1(NCc2ccccc2O)COC1 1988278640 WPSALIBSDLBCDN-UHFFFAOYSA-N 223.272 0.897 10 10 BCCE CN(Cc1ccccc1O)C(=N)NC(=N)N 1989684072 JAHWIDQMPKFBKQ-UHFFFAOYSA-N 221.264 0.242 10 10 BCCE CN(C)c1ccc([C@@H](O)[C@@H]2CNCCO2)cc1 1999509043 MVROODWNQINVFD-QWHCGFSZSA-N 236.315 0.774 10 10 BCCE CN(C[C@@H](O)CN)c1ccc2c(c1)CCN2C 1999510739 XNKBNYDQKPLIGV-LBPRGKRZSA-N 235.331 0.435 10 10 BCCE Cc1cccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1O 2000838442 RMLRXWPMRUJQBB-TUAOUCFPSA-N 237.299 0.674 10 10 BCCE [N-]=[N+]=NCCCCN1CCN(C2CNC2)CC1 2006169120 ICXOPBZQVNSOPW-UHFFFAOYSA-N 238.339 0.666 10 10 BCCE O=C(N[C@@H]1[C@H]2CCO[C@H]21)c1cccc(O)c1O 2007576755 KXFPBFLMUGRDBH-KNBVPPQFSA-N 235.239 0.615 10 10 BCCE Cc1cccc(O)c1CN1C[C@H](O)C[C@@H]1CN 2010535156 PVJCUGKKHPPEEN-GHMZBOCLSA-N 236.315 0.595 10 10 BCCE CN(C[C@H]1CCNC1=O)c1ccc(CN)cc1 2012932474 GGJGTTAQTAXYCF-LLVKDONJSA-N 233.315 0.718 10 10 BCCE Cc1ccc(CN[C@H]2COC[C@@H]2CO)c(O)c1 2024815615 ASEYNPJWQQDQCT-RYUDHWBXSA-N 237.299 0.798 10 10 BCCE 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O=C(CN1CC[C@@H]1CO)c1ccc(O)c(O)c1 1944100881 RCDSIDBXWOYJNM-SECBINFHSA-N 237.255 0.347 10 10 BCCE CO[C@@H](CCN)c1cc(O)c(O)c(O)c1 1951525817 VOCJOAVDVVRNAY-VIFPVBQESA-N 213.233 0.840 10 10 BCCE N[C@]1(c2cc(O)ccc2O)C[C@@H]1C(=O)O 1952772855 QGQCCJMXBLUPDO-XCBNKYQSSA-N 209.201 0.356 10 10 BCCE COC[C@@H](O)[C@H](N)c1ccc(N(C)C)cc1 1977944827 JXZYMWNOPVVUJE-VXGBXAGGSA-N 224.304 0.760 10 10 BCCE Cc1cc(C(=O)N2CC(N=[N+]=[N-])C2)ncn1 1983673144 GPXOPHDHTPNHNE-UHFFFAOYSA-N 218.220 0.920 10 10 BCCE Cc1cccc(CNC(=O)[C@H]2CCN2)c1O 1994451171 HJVXHONHVOYJPC-SNVBAGLBSA-N 220.272 0.679 10 10 BCCE COC(=O)[C@@H](NCCO)c1c(C)cccc1O 1997955410 ANYOJDSONYDOCM-NSHDSACASA-N 239.271 0.497 10 10 BCCE COc1ccc(O)c(CN[C@H](CO)[C@@H](C)O)c1 2005856424 JOSNTNWOUIGMGG-LDYMZIIASA-N 241.287 0.232 10 10 BCCE Nc1ccc(NC(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 2016888953 KWEGZGNLNVZVRH-URLYPYJESA-N 232.287 0.690 10 10 BCCE COCC1(O)CN(c2ccc3c(c2)CC[C@H]3N)C1 2065065356 KTTZCDZLXONMTK-CYBMUJFWSA-N 248.326 0.830 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)COCC(=O)O 2210533324 CYGRKXITTMQIPE-UHFFFAOYSA-N 230.224 0.246 10 10 BCCE NC(=O)C1(O)CN(c2ccc(OC3CC3)cc2)C1 2219591958 BZNCHYZVYOOCTM-UHFFFAOYSA-N 248.282 0.264 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H]2OCC[C@]2(CO)C1 2246313163 YAXIGJQHLFQTKX-NXEZZACHSA-N 226.280 0.770 10 10 BCCE CN1C(=O)CC(=O)N(CCCCN=[N+]=[N-])C1=O 2247171139 OOPVDSSPLQQXFN-UHFFFAOYSA-N 239.235 0.888 10 10 BCCE Nc1ccc(COc2nnc(C(=O)O)o2)cc1 2252876786 DVXPUWHXFQVBAU-UHFFFAOYSA-N 235.199 0.929 10 10 BCCE N[C@@H]1CCc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2258308550 KMYLXHMPLLGOQF-RDBSUJKOSA-N 248.326 0.565 10 10 BCCE CC1(C)O[C@H]2C(=O)O[C@@H](CN=[N+]=[N-])[C@H]2O1 34250793 SNEBIDARLBHUDV-KVQBGUIXSA-N 213.193 0.742 10 10 BCCE CCCN(CC(N)=O)c1ccc(CN)cc1 34654611 QNTIIWSLXVWEAC-UHFFFAOYSA-N 221.304 0.847 10 10 BCCE Nc1cc2c(cc1N1CCNCC1)CCC(=O)N2 50607407 KWUYGWCZFWYMIV-UHFFFAOYSA-N 246.314 0.563 10 10 BCCE CCNS(=O)(=O)CCOc1ccc(N)cc1 70049414 SXKNAPWLZQNCRH-UHFFFAOYSA-N 244.316 0.587 10 10 BCCE CN(C[C@@H](O)CCN)c1ccc2c(c1)OCO2 77383887 DDTJUUMBJSYRIH-JTQLQIEISA-N 238.287 0.561 10 10 BCCE CCN(CCO)c1ccc2c(c1)NC(=O)[C@H]2N 103055019 RJTSSSRQSDTDJR-NSHDSACASA-N 235.287 0.457 10 10 BCCE NC[C@@H](C(=O)O)c1ccc(F)c(O)c1O 212529703 BADDWPBGPFOUFA-RXMQYKEDSA-N 215.180 0.364 10 10 BCCE COc1ccc(N2CCOC[C@H]2CN)cc1 221656949 GBWCZCDWUZQFLS-LLVKDONJSA-N 222.288 0.859 10 10 BCCE COC(=O)[C@@H](N)c1cccc(CO)c1O 259948571 ACQWDNMCXHMBRE-QMMMGPOBSA-N 211.217 0.057 10 10 BCCE CCOC(=O)c1cc(CNOC)c(O)cc1O 260221674 RSBYYVBXGQKYFI-UHFFFAOYSA-N 241.243 0.926 10 10 BCCE CN[C@@H](CO)c1c(F)ccc(C(=O)O)c1O 309564449 SJOQVGJZVVNNPD-ZETCQYMHSA-N 229.207 0.482 10 10 BCCE O=C(O)c1ccc([C@@H]2COCCN2)c(O)c1 380485804 YWJWKJOEOPHWND-VIFPVBQESA-N 223.228 0.751 10 10 BCCE CNC(=O)C1CN(c2ccc(CN)cc2C)C1 382082173 PWXMJEOTCSYGBE-UHFFFAOYSA-N 233.315 0.636 10 10 BCCE NC1(CC(=O)NCc2ccccc2O)CC1 398155193 GBOBYCNAYZHQOI-UHFFFAOYSA-N 220.272 0.890 10 10 BCCE CCn1cc(CNCc2cccc(O)c2O)nn1 404518993 YXGXYPPKERTFEO-UHFFFAOYSA-N 248.286 0.999 10 10 BCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)[C@H]1CCCCO1 695026412 YJQBLWONQYTEIA-RKDXNWHRSA-N 241.295 0.699 10 10 BCCE NC(=O)NC1CCN(Cc2ccc(N)cc2)CC1 702148026 PBGKLTYEEJTRFQ-UHFFFAOYSA-N 248.330 0.902 10 10 BCCE COC(=O)C[C@H](O)c1ccc(O)c(O)c1O 1535831954 AWBPAWHEDIKASU-ZETCQYMHSA-N 228.200 0.400 10 10 BCCE C[C@H](N)c1nnnn1-c1ccc(N)cc1 1857876957 ZCBYWPDAUPBNOQ-LURJTMIESA-N 204.237 0.264 10 10 BCCE Nc1ccc(N2CC[C@@H](CO)[C@H](N)C2)cc1 1896829483 LGMRAQWNGJCJGO-JOYOIKCWSA-N 221.304 0.415 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1nnn2c1CCC2 1900919307 MBEGAEYLMMIQHP-UHFFFAOYSA-N 221.224 0.264 10 10 BCCE CC(=O)C(=O)[C@]1(O)CCCN[C@H]1C(F)(F)F 1903078580 KDZJRGMDUOIMSZ-HTQZYQBOSA-N 239.193 0.190 10 10 BCCE C[C@H](C(=O)N1CCOCC1)N(C)CCN=[N+]=[N-] 1912151587 JEJIZDMKLJYRAG-SECBINFHSA-N 241.295 0.476 10 10 BCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1CCSC1 1912187306 GSOXKDNXJDOPBM-IONNQARKSA-N 243.336 0.883 10 10 BCCE [N-]=[N+]=NCCN1C[C@H]2CCCS(=O)(=O)[C@H]2C1 1912187778 JQUGOCDHAKLTNZ-BDAKNGLRSA-N 244.320 0.806 10 10 BCCE CCO[C@H]1C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912201181 QOHYUOFRJVNURX-SFYZADRCSA-N 210.237 0.933 10 10 BCCE COC[C@H](OC)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912210329 IDEWUZXYCBIZPS-BDAKNGLRSA-N 242.279 0.807 10 10 BCCE CN(c1ccc(CN)c(F)c1)[C@H]1CCNC1=O 1916803962 SIZABOHYFTWIRM-NSHDSACASA-N 237.278 0.609 10 10 BCCE OCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1 1942236257 CUFIXYBQXVPKOE-WCQYABFASA-N 237.299 0.358 10 10 BCCE COc1ccc(O)c(CN2C[C@@H]3C[C@H]2CN3)c1 1944208204 UZLOMXGAGVHAIM-QWRGUYRKSA-N 234.299 0.947 10 10 BCCE CCN(c1ccc(CN)cc1)[C@H]1COC[C@@H]1O 1949828505 OQVQZWKJZQYAMF-STQMWFEESA-N 236.315 0.731 10 10 BCCE C[C@](O)(CO)CN1CC[C@H](CN=[N+]=[N-])C1 1960808734 UQZZRAIIJJCWOW-RKDXNWHRSA-N 214.269 0.362 10 10 BCCE [N-]=[N+]=NCCCCNS(=O)(=O)c1nc[nH]n1 1965755085 XOMABSKSBPJUQM-UHFFFAOYSA-N 245.268 0.174 10 10 BCCE CCOC(=O)[C@](C)(NCCN=[N+]=[N-])[C@@H]1CCN1 1999833083 GLLVVHIFRJZENL-WCBMZHEXSA-N 241.295 0.570 10 10 BCCE NC1CCC(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 2003172056 FSXMGAXSZCAXBV-NFEIZINCSA-N 238.331 0.770 10 10 BCCE CN(CCn1cncn1)c1ccc(CO)cc1 2003796013 CXUHJWJHCYUGEZ-UHFFFAOYSA-N 232.287 0.907 10 10 BCCE CN(C)c1noc(-c2cc(O)c(O)c(O)c2)n1 2015120591 UVKQTNHUONZCHY-UHFFFAOYSA-N 237.215 0.919 10 10 BCCE NCCC1(NC(=O)c2ccc(O)c(O)c2)CC1 2017546134 BYDOYGJECGGKBD-UHFFFAOYSA-N 236.271 0.709 10 10 BCCE O=C1NCC[C@@H]1CNCc1ccc(O)c(O)c1 2019988286 PCXUPDJCTYAPAZ-SECBINFHSA-N 236.271 0.324 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)[C@@]1(C)COCCO1 2021907678 FZJPHDYWCUNHHM-SNVBAGLBSA-N 242.279 0.951 10 10 BCCE CCc1cccc(CNCCn2cnnn2)c1O 2029964834 QVRDEHHJVDMGJN-UHFFFAOYSA-N 247.302 0.731 10 10 BCCE Cc1ccc(CN2CCN(CCN)CC2)c(O)c1 2084066225 OGASGXNMPYMDLV-UHFFFAOYSA-N 249.358 0.777 10 10 BCCE Cc1cc([C@H](C)O)ccc1N1CC(C(N)=O)C1 2217381269 QFADEYVTFXDDEB-VIFPVBQESA-N 234.299 0.970 10 10 BCCE OCCC1(O)CN(c2ccc(CO)cc2)C1 2244286127 QUJXVCIPRVOTBF-UHFFFAOYSA-N 223.272 0.112 10 10 BCCE COC[C@@H](O)CN(C)c1ccc(CN)cc1C 42482726 PFGMJSSFRRBOFS-LBPRGKRZSA-N 238.331 0.897 10 10 BCCE CCC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 74156736 GNBGZOLRCUSLKT-QMMMGPOBSA-N 209.245 0.947 10 10 BCCE NCCN1CCc2cc3c(cc21)OCCO3 84780959 PHDLFECBBPWGSD-UHFFFAOYSA-N 220.272 0.779 10 10 BCCE CN(CCO)Cc1ccc(N2CCNCC2)cc1 84857400 JLKDUERMWXSEOK-UHFFFAOYSA-N 249.358 0.520 10 10 BCCE CCOC(=O)[C@H](CN=[N+]=[N-])NC[C@@H]1CCCO1 91314436 SUOMEGHUIPSZNL-IUCAKERBSA-N 242.279 0.997 10 10 BCCE CC[C@H](O)[C@H](N)c1ccc(F)c(N)c1O 95805423 VZEDZOKENFOFQH-JGVFFNPUSA-N 214.240 0.884 10 10 BCCE N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 159500395 ZTLJQISROSNVCS-SSDOTTSWSA-N 222.244 0.271 10 10 BCCE COC(=O)C[C@@H](O)C[C@H](O)CCN=[N+]=[N-] 218001057 XIGJDEAOOHPRMW-RQJHMYQMSA-N 217.225 0.362 10 10 BCCE C[C@H]1OCC[C@H]1S(=O)(=O)CCN=[N+]=[N-] 235623300 OUMFZCCOTPJEIG-RNFRBKRXSA-N 219.266 0.889 10 10 BCCE NC1CC(CNC(=O)c2ccc(O)c(O)c2)C1 236158649 HPJHLCGFLKUAGR-UHFFFAOYSA-N 236.271 0.565 10 10 BCCE NC(=O)[C@H]1CCN(CCOc2ccc(N)cc2)C1 236278902 LALDVFLFMKRGDI-JTQLQIEISA-N 249.314 0.455 10 10 BCCE CCCCOC(=O)[C@@H]1NC(=O)[C@H]1N=[N+]=[N-] 238219216 HFLHXWUUCIEDHK-NTSWFWBYSA-N 212.209 0.507 10 10 BCCE N[C@H](CC(=O)O)c1c(O)ccc(F)c1O 308772397 SKPNWUSGYWSYRP-RXMQYKEDSA-N 215.180 0.711 10 10 BCCE C[C@H]1CC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 379771114 AIFACFQIXCUWBX-CBAPKCEASA-N 211.269 0.930 10 10 BCCE O=[N+]([O-])c1cc(O)c(O)cc1CCCO 584634294 VIWHDFXSRLSCLQ-UHFFFAOYSA-N 213.189 0.931 10 10 BCCE C[C@@H](O)c1ccc(N2CC[C@@H](NC(N)=O)C2)cc1 690732380 LSQZVJCWSJZBFU-MWLCHTKSSA-N 249.314 0.987 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701333464 YGXOGCSRQRHYSL-CBAPKCEASA-N 239.279 0.812 10 10 BCCE C[C@@H]1CC(=O)NCCN1c1ccc(CN)cc1 708278431 MAAAQLAQBJJBPW-SNVBAGLBSA-N 233.315 0.860 10 10 BCCE Cc1ccc(O)c(CNC[C@@H](O)[C@@H](C)O)c1 717307180 KFPCAIXQEMWGGM-BXKDBHETSA-N 225.288 0.532 10 10 BCCE CN(Cc1ccccc1O)[C@H]1CNC[C@@H]1O 841090202 OXKVPEFQONSASL-JQWIXIFHSA-N 222.288 0.157 10 10 BCCE CC[C@@H](N)CNC(=O)NCc1ccccc1O 842003071 IAPSZWZOMCSASC-SNVBAGLBSA-N 237.303 0.929 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 869662195 OZXFFIPVEKZPLI-KAMPLNKDSA-N 236.267 0.980 10 10 BCCE N[C@H]1CCCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1906906232 NKEWJGISBILWAF-DBIOUOCHSA-N 238.331 0.770 10 10 BCCE Cn1cc(CN2CC[C@H](CN=[N+]=[N-])C2)nn1 1912151220 DVFJRDOGJIUNAZ-MRVPVSSYSA-N 221.268 0.947 10 10 BCCE C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912166650 ZZFPIDFKRHDBQP-CIUDSAMLSA-N 240.263 0.702 10 10 BCCE Cc1noc(CCC(=O)N2CC(N=[N+]=[N-])C2)n1 1912206763 HSGKBOOCRJDGBK-UHFFFAOYSA-N 236.235 0.832 10 10 BCCE CC[C@@H](OC)C(=O)[C@H]1CCCC(=O)C1=O 1924132605 LSLIIWMWNAVNHN-IONNQARKSA-N 212.245 0.919 10 10 BCCE NN[C@@H](c1cnsn1)c1ccccc1O 1928474294 LEOWVKQGVPBBOS-SECBINFHSA-N 222.273 0.796 10 10 BCCE CC(=O)C(=O)[C@](C)(O)C[C@H]1CCCCN1 1929231458 QLKXJGNKWHMQJL-MWLCHTKSSA-N 213.277 0.428 10 10 BCCE CNC(=N)NCCc1ccc(O)c(O)c1 1929416983 VQLAGWOLDMUAJN-UHFFFAOYSA-N 209.249 0.384 10 10 BCCE OC[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1 1942679183 GWNUGJNWVXBBFB-VHSXEESVSA-N 239.271 0.195 10 10 BCCE C[C@]1(O)CON(C(=O)c2cccc(O)c2O)C1 1944755265 SKXXMRUPRGQHHN-LLVKDONJSA-N 239.227 0.236 10 10 BCCE Cn1ccc(C2=C[C@]3(CCOC3)NC2)cc1=O 1949555425 CMYPSHYFFKZXFO-ZDUSSCGKSA-N 232.283 0.531 10 10 BCCE CN(CCCN=[N+]=[N-])[C@@H]1CN(C2CC2)C[C@H]1O 1950767057 RKGAOSBZPUVIJU-GHMZBOCLSA-N 239.323 0.826 10 10 BCCE COC(=O)C[C@@](C)(N)c1cc(O)nc(O)c1 1952462978 JUYCTZYEKJSVEE-SNVBAGLBSA-N 226.232 0.230 10 10 BCCE N[C@H](Cc1cc(O)nc(O)c1)C(F)(F)F 1952524017 MNICNRFMMZPYEL-RXMQYKEDSA-N 222.166 0.925 10 10 BCCE CNC[C@H](O)CN(C)CCCN=[N+]=[N-] 1957243945 KBDNHHWFZNGABB-QMMMGPOBSA-N 201.274 0.199 10 10 BCCE COc1cccc(CNCC[C@@H](O)CO)c1O 1967856957 CBVFGIVKNVMDRM-SNVBAGLBSA-N 241.287 0.234 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1COC[C@@H]1O 1975319124 WUUCIBSAFHUDGW-HLTSFMKQSA-N 212.253 0.521 10 10 BCCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)[C@H]1CCN1 1978173846 BNRPDDVEFNNDRF-VXNVDRBHSA-N 227.268 0.482 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1CC1CS(=O)(=O)C1 1984486148 XGBGBKMQVVRYMX-VIFPVBQESA-N 244.320 0.806 10 10 BCCE CN(CC(N)=O)c1ccc2c(c1)CC[C@H]2N 1986610576 SRJSJDRBOULASJ-LLVKDONJSA-N 219.288 0.554 10 10 BCCE COc1cccc(O)c1CNCCNC(C)=O 1997941154 NNBFEMKLSXYPKQ-UHFFFAOYSA-N 238.287 0.627 10 10 BCCE CC(=O)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2015123895 XCJHEEXFLFJULX-YFKPBYRVSA-N 239.227 0.511 10 10 BCCE Nc1ccc(OCC(=O)NC2CC(N)C2)cc1 2016990579 FAQGHMUWYRKPJE-UHFFFAOYSA-N 235.287 0.254 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2CC[C@H](N)C2)cc1 2016993422 BFZNWROMFTVPHL-NWDGAFQWSA-N 233.315 0.807 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N[C@@]12CNC[C@H]1C2 2038343587 HSWYSLPUNLIWKH-RNCFNFMXSA-N 248.282 0.118 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]2C[C@@]2(O)C1 2051362352 MIEURFVMEFYKJB-TVQRCGJNSA-N 249.266 0.695 10 10 BCCE CNCc1cc(O)nn1-c1ccc(O)c(O)c1 2069794841 YKDYPNJIRSSCQB-UHFFFAOYSA-N 235.243 0.709 10 10 BCCE Nc1ccc(CC(=O)NC[C@@]23CNC[C@@H]2C3)cc1 2071683980 BZJRQOZXPWVMRP-SMDDNHRTSA-N 245.326 0.537 10 10 BCCE NC[C@H]1CC[C@H](Nc2c(N)cccc2C(N)=O)C1 2071711931 AMGJTKCCHGGMTC-IUCAKERBSA-N 248.330 0.907 10 10 BCCE CN1CCCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2219456416 OIAVYVATBZTEGZ-OKILXGFUSA-N 248.326 0.611 10 10 BCCE COc1cc(C)c(N2C[C@H](O)[C@H](O)C2)c(C)c1 2248915332 BGGWDVNWJDGXJZ-TXEJJXNPSA-N 237.299 0.854 10 10 BCCE Cc1cc(CO)ccc1N1CC[C@@H]1[C@@H](O)CO 2249562152 CQTATHNIZHXAGS-OLZOCXBDSA-N 237.299 0.419 10 10 BCCE CCNS(=O)(=O)Cc1ccc(N)cc1 19980491 HIORHUYFUDPGIN-UHFFFAOYSA-N 214.290 0.708 10 10 BCCE OCCOCCNCc1ccc(O)c(O)c1 20198574 QHJMYPLMUSPQME-UHFFFAOYSA-N 227.260 0.196 10 10 BCCE NC(=O)CCCNCc1ccc(O)c(O)c1 37658699 QAWSLUUNMKGWND-UHFFFAOYSA-N 224.260 0.453 10 10 BCCE CN[C@H]1C(=O)Nc2cc(N(C)C[C@H](C)O)ccc21 51821103 OURKZKBWQNHGLP-QPUJVOFHSA-N 249.314 0.716 10 10 BCCE N[C@H](C(=O)O)c1c(F)ccc(C(=O)O)c1O 72196388 NOCWEZZVDTYBOS-LURJTMIESA-N 229.163 0.314 10 10 BCCE NC[C@@H](N)c1c(F)ccc(C(=O)O)c1O 72200857 BLSFXLJMGDDTBD-ZCFIWIBFSA-N 214.196 0.188 10 10 BCCE CO[C@@H](C)[C@](C)(NCCN=[N+]=[N-])C(N)=O 229404662 LKJXUPOOAVKQRB-XPUUQOCRSA-N 215.257 0.165 10 10 BCCE Cn1ccc(C(=O)NCc2ccc(N)cc2)n1 231890777 SLRZXJSSGYIGNH-UHFFFAOYSA-N 230.271 0.932 10 10 BCCE Nc1ccc(N2C(=O)CNC2=O)c2cccnc12 236367492 VBKOTSSOUIZGGE-UHFFFAOYSA-N 242.238 0.873 10 10 BCCE COc1ccc(N(C)C[C@H](O)CN)cc1C 259021430 OEBHATKFODTIOX-LLVKDONJSA-N 224.304 0.759 10 10 BCCE OC[C@@H]1CN(c2ccc3c(c2)OCO3)CCO1 259478118 YQPICXIOIIRWTD-JTQLQIEISA-N 237.255 0.613 10 10 BCCE CO[C@H]1[C@@H](N=[N+]=[N-])CO[C@@H](OC)[C@@H]1O 263612541 YHJLNJCNJOILHG-BNHYGAARSA-N 203.198 0.044 10 10 BCCE CN(C)c1ccc([C@H]2COCC(=O)N2)cc1 309208854 RGCMFCSFOSEHEJ-LLVKDONJSA-N 220.272 0.940 10 10 BCCE Nc1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1 396888156 TZSPSYARMXVDOM-JOYOIKCWSA-N 222.288 0.448 10 10 BCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CO[C@@H](C)C1 401522102 RGIFOROXYKFKGE-CBAPKCEASA-N 228.252 0.607 10 10 BCCE Cc1cnc(/C=C2\CC(=O)NC2=O)n1C 713443884 KTRUKLFHKPDBSB-XVNBXDOJSA-N 205.217 0.158 10 10 BCCE CC1(C(N)=O)CN(Cc2ccccc2O)C1 843415469 GIECOHPHDKQCBP-UHFFFAOYSA-N 220.272 0.699 10 10 BCCE CCO[C@H](C(=O)OCC(=O)C(C)=O)C1CC1 859865137 WPSAXEFTQRWYRL-JTQLQIEISA-N 228.244 0.503 10 10 BCCE O=C(O)[C@@H](O)C1(c2ccc(O)c(O)c2)CC1 1535861352 WYKPXCKZCXLFJA-SECBINFHSA-N 224.212 0.575 10 10 BCCE Oc1ccc([C@H]2CNC[C@@H]2NC2CC2)cc1O 1614808253 RJTFHSIJJGWSCS-MNOVXSKESA-N 234.299 0.905 10 10 BCCE Nc1ccc(NC(=O)NC[C@H]2C[C@H]2N)cc1 1896822705 XGFIEWNOTFSDIM-GMSGAONNSA-N 220.276 0.738 10 10 BCCE N=c1nnc(OC[C@@H]2C[C@]23CC3(F)F)n[nH]1 1905077729 PKDLUBRCRFXHLG-FFWSUHOLSA-N 229.190 0.103 10 10 BCCE Nc1snnc1-c1nc(-c2ccncn2)no1 1923172038 CDYWPDYAXWHGAH-UHFFFAOYSA-N 247.243 0.627 10 10 BCCE Oc1ccccc1CNC[C@@H]1COC[C@H]1O 1939165565 BXISVWABKOAWKG-ZYHUDNBSSA-N 223.272 0.489 10 10 BCCE COC(=O)[C@@H](C)NCCc1ccc(O)c(O)c1 1943630258 NIJFKXUOPRMMIH-MRVPVSSYSA-N 239.271 0.791 10 10 BCCE Nc1ccc(OCCCN2CC(CO)C2)cc1 1944085506 GUTRSYRELSWHEM-UHFFFAOYSA-N 236.315 0.962 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCCOC12CCOCC2 1949423512 AEBDEJLNCDIPKO-LBPRGKRZSA-N 242.271 0.235 10 10 BCCE CN1CCN(C)[C@H](C(=O)NCCCN=[N+]=[N-])C1 1949964067 MKIXDLZWMFUSNT-VIFPVBQESA-N 240.311 0.049 10 10 BCCE O=[N+]([O-])c1cccc([C@H]2NCC[C@H]2O)c1O 1952066119 LEGPDJDUXAIUBH-RKDXNWHRSA-N 224.216 0.696 10 10 BCCE O=C1CNC[C@H](c2ccc(F)cc2O)N1 1952071828 PSAZGAXTAJLHTH-MRVPVSSYSA-N 210.208 0.292 10 10 BCCE C[C@@H](O)c1cnc(Sc2nnnn2C)s1 1958555243 KVECPBFHGPJIEV-SCSAIBSYSA-N 243.317 0.871 10 10 BCCE CN1CCc2cc(C3(N)COC3)ccc21 1959572592 YARNNSCFTJQPOM-UHFFFAOYSA-N 204.273 0.863 10 10 BCCE CCNC(=O)CNCc1c(O)cccc1F 1964562773 GEILZCXGKAGOHZ-UHFFFAOYSA-N 226.251 0.757 10 10 BCCE C[C@@H](O)[C@H](N)C(=O)N(C)Cc1ccccc1O 1966850085 KKAWXXHMILPITR-KCJUWKMLSA-N 238.287 0.059 10 10 BCCE O=C(N[C@H]1C[C@@H]1CO)c1cccc(O)c1O 1975553460 VJZCAJJCLKQSEY-SVRRBLITSA-N 223.228 0.208 10 10 BCCE CN(C)c1ccc([C@H](N)c2cnn[nH]2)cc1 1977959256 QYDMJSCWSNPRGL-NSHDSACASA-N 217.276 0.919 10 10 BCCE COc1ccc(N2C[C@H](OC)[C@H](N)C2)cc1 1984308816 MFXCWKIJGBJHDZ-NEPJUHHUSA-N 222.288 0.858 10 10 BCCE COc1cc(N2CC[C@@H]2CO)ccc1CO 1994424447 GIDKOWHJPRKBNU-LLVKDONJSA-N 223.272 0.759 10 10 BCCE C[C@@]1([C@@](C)(NCCCN=[N+]=[N-])C(=O)O)CCN1 1999835934 KRNMHUMQSVRONJ-UWVGGRQHSA-N 241.295 0.872 10 10 BCCE COc1cc(C(=O)N[C@@H](C)CO)cc(OC)n1 2001922542 BZPQFYIWBOXDCI-ZETCQYMHSA-N 240.259 0.209 10 10 BCCE OCc1cc(F)c(N2CC(F)(CO)C2)c(F)c1 2005096657 PKUBFEOIXBGEPW-UHFFFAOYSA-N 247.216 0.978 10 10 BCCE CCON(Cc1ccc(O)c(O)c1)C1CNC1 2006366993 PRPUYPMUNZNSTJ-UHFFFAOYSA-N 238.287 0.823 10 10 BCCE C[C@H](O)[C@H]1CCN1C(=O)Cc1ccc(N)cc1 2011154497 KCNKEHHPUBKWGM-JOYOIKCWSA-N 234.299 0.793 10 10 BCCE NC(=O)c1cccc(N)c1N[C@H]1CCONC1 2016977898 ALJXJLMMIPRXCY-ZETCQYMHSA-N 236.275 0.073 10 10 BCCE CC1(C)OC[C@H](N)[C@@H]1NCc1ccccc1O 2023407814 XKJSLILWWLJHSS-JQWIXIFHSA-N 236.315 0.987 10 10 BCCE O=C(N[C@@]12CC[C@H]1CNC2)c1ccc(O)c(O)c1 2033968769 VBMPNDLWJLQEIB-TVQRCGJNSA-N 248.282 0.580 10 10 BCCE Nc1ccc(CN(C2CC2)[C@@H]2COC[C@H]2O)cc1 2038077186 VLHBHVXZROMAEU-ZIAGYGMSSA-N 248.326 0.993 10 10 BCCE O=C(N[C@@H]1CN2CC[C@H]1C2)c1ccc(O)c(O)c1 2040834702 WKMJAPLLDHMAOR-VHSXEESVSA-N 248.282 0.532 10 10 BCCE CN(C[C@H](O)CN)c1ccc2c(c1)CCCN2C 2044732837 FAMNJSWFKCWXRU-CYBMUJFWSA-N 249.358 0.825 10 10 BCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1 2053120519 YIDYGQPQRGCEIN-RUZUBIRVSA-N 248.326 0.466 10 10 BCCE COc1cc(N)c(N2C[C@@H]3C[C@]3(N)C2)cc1OC 2071589899 BVTDKOITTUPPAP-SDBXPKJASA-N 249.314 0.823 10 10 BCCE O=C(N[C@H]1CC[C@@H]1CO)c1cccc(O)c1O 2213373117 YBHJYYTVTVPWAM-APPZFPTMSA-N 237.255 0.599 10 10 BCCE Cc1nn[nH]c1CCNCc1ccc(O)cc1O 2219262464 SLKJYLSWMHFHPZ-UHFFFAOYSA-N 248.286 0.857 10 10 BCCE NC(=O)NC(=O)CCOc1ccc(N)cc1 38055607 BAHNQHGQZUDHTM-UHFFFAOYSA-N 223.232 0.233 10 10 BCCE O=C1CC[C@H](CNCc2ccccc2O)N1 70627915 SBBYDZDDOMQSNQ-SNVBAGLBSA-N 220.272 0.760 10 10 BCCE Oc1cc2c(cc1O)N1CCOC[C@@H]1CN2 82363666 ZQFMMLWWECMYDE-ZETCQYMHSA-N 222.244 0.729 10 10 BCCE Nc1ccc(Cc2nccn2C[C@@H](O)CO)cc1 82734764 DFRIEGTWUAIYRC-GFCCVEGCSA-N 247.298 0.409 10 10 BCCE Cc1ccc(CNC(=O)C2(N)CC2)c(O)c1 83350440 VAAKTGIUHJMHIJ-UHFFFAOYSA-N 220.272 0.808 10 10 BCCE COCCNC(=O)[C@H](N)c1cccc(F)c1O 83370199 JINVXYCZOZJOJV-SECBINFHSA-N 242.250 0.294 10 10 BCCE C[C@H](O)CNCc1ccc(N2CCNCC2)cc1 84846338 JZANBSSQYXNEJW-LBPRGKRZSA-N 249.358 0.567 10 10 BCCE NCc1ccc(N2CCOC[C@H]2CO)cc1 159018941 NOBXYDTXJRWHCE-GFCCVEGCSA-N 222.288 0.343 10 10 BCCE OCc1ccc(O)c(CN2CCOCC2)c1 213093887 YEOQTPWVNYIPHM-UHFFFAOYSA-N 223.272 0.717 10 10 BCCE COc1ccc(N2[C@@H](C)CNC(=O)[C@@H]2CN)cc1 214390989 XRHADAHODZNLCA-CABZTGNLSA-N 249.314 0.347 10 10 BCCE CN(CCC(=O)O)C(=O)c1ccc(O)c(O)c1 234289001 YNPPHCCEJCDEBR-UHFFFAOYSA-N 239.227 0.645 10 10 BCCE C[C@H](NCc1cc(F)ccc1O)c1nn[nH]n1 235507088 ZMJDLXDBXUXMAE-LURJTMIESA-N 237.238 0.895 10 10 BCCE NCc1cc(-c2c[nH]c(N)n2)ccc1O 258021263 IBFAZWBMPVZDPT-UHFFFAOYSA-N 204.233 0.823 10 10 BCCE COc1ccc(N(C)C[C@@H](N)CO)cc1F 259235792 YBYPKLVNRDOEML-MRVPVSSYSA-N 228.267 0.590 10 10 BCCE CNC(=O)C[S@@](=O)CCCN=[N+]=[N-] 300775935 DVDHOVIDILNHEG-ZDUSSCGKSA-N 204.255 0.182 10 10 BCCE CCOc1ccc(CNCC(N)=O)c(O)c1 309450299 KYQOKXRRNAIYDG-UHFFFAOYSA-N 224.260 0.366 10 10 BCCE CC[C@H](N)[C@H](C)NC(=O)c1cccc(O)c1O 386705952 OEVIHWULIBUALJ-CBAPKCEASA-N 238.287 0.953 10 10 BCCE CO[C@@]1(CO)CCN(Cc2ccc(N)cc2)C1 402942204 NGGPENLBVLQUDO-ZDUSSCGKSA-N 236.315 0.852 10 10 BCCE C=CC(=O)NCCOCCOCCN=[N+]=[N-] 714060889 ZOINEGVUBAHATI-UHFFFAOYSA-N 228.252 0.632 10 10 BCCE CN1CCc2cc([C@@H](O)c3ncn(C)n3)ccc21 714720244 QELFQWDRZSVVEH-GFCCVEGCSA-N 244.298 0.889 10 10 BCCE Cc1cc(NS(=O)(=O)CCN)ccc1O 722232683 KQTKHBPDDFLXBL-UHFFFAOYSA-N 230.289 0.401 10 10 BCCE CCc1onc(C)c1C(=O)OCC(=O)C(C)=O 808485354 RXSXEZCEGDHCLM-UHFFFAOYSA-N 239.227 0.860 10 10 BCCE O=C(NCc1cncnc1)c1cccc(O)c1O 1148220188 WTWNYZCNDOWQHS-UHFFFAOYSA-N 245.238 0.818 10 10 BCCE N[C@@H]1CCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895032102 UVATVLLYXWQPMZ-ZYUZMQFOSA-N 224.304 0.379 10 10 BCCE COCCS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912170109 SKYBQVOZMMDKSJ-ZETCQYMHSA-N 234.281 0.347 10 10 BCCE CN[C@@H](c1ccccc1O)[C@@H](O)COC 1929437494 DYQUOGDHZLGXAN-QWRGUYRKSA-N 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KTQOPCCQGKJTCK-SCZZXKLOSA-N 241.287 0.492 10 10 BCCE Nc1ccc(CN[C@@H]2CCCN(CCO)C2)cc1 2031664483 GURFQJBVKQUJDY-CQSZACIVSA-N 249.358 0.815 10 10 BCCE CC[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 2044560879 LDNFGZNCODVAHZ-CABZTGNLSA-N 249.314 0.846 10 10 BCCE C[C@H](N)c1ccc(N2CC3(CNC(=O)N3)C2)cc1 2057562807 KJLLSVGAGYOSTH-VIFPVBQESA-N 246.314 0.578 10 10 BCCE O=C(Nc1ccc(O)c(O)c1)[C@]1(O)CCOC1 2062053374 NKWIAXNURVKNSZ-NSHDSACASA-N 239.227 0.188 10 10 BCCE N[C@H]1CCc2cc(N(CCO)C3COC3)ccc21 2065083368 PMEZSIMUOKLXHA-AWEZNQCLSA-N 248.326 0.830 10 10 BCCE CN(C)c1ccc(CNC[C@H]2CCNC2=O)cc1 2065482004 KFPDABKSABXYJX-GFCCVEGCSA-N 247.342 0.978 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2CCNC(=O)C2)cc1 2066258004 OSLRRBUOLCQAQW-JTQLQIEISA-N 248.286 0.669 10 10 BCCE C[C@@H]1C[C@H](Nc2c(N)cccc2C(N)=O)CCN1 2071714396 GSBLVMRBVJLFLH-RKDXNWHRSA-N 248.330 0.920 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)C1COC1 2210539114 NQHFUJVZWZEGFD-YUMQZZPRSA-N 246.292 0.536 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1ccc(-n2cncn2)cc1 2256275212 JELBJMIYENHPSE-LBPRGKRZSA-N 245.238 0.459 10 10 BCCE NC(=O)C[C@@H]1CCCN1Cc1cc(N)ccc1O 2257801401 GREIEBSEXHJZOG-NSHDSACASA-N 249.314 0.814 10 10 BCCE Cc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)o1 2296851837 YHRBDTFSELRHDT-UHFFFAOYSA-N 246.222 0.894 10 10 BCCE O=C(Cn1cnnc1)c1ccc(O)c(O)c1 45372737 QXLDHJYXCUEFRK-UHFFFAOYSA-N 219.200 0.572 10 10 BCCE C[C@@H](NCC(N)=O)c1ccc(F)cc1O 62744657 ARVOCALACNHGJF-ZCFIWIBFSA-N 212.224 0.667 10 10 BCCE [N-]=[N+]=NCCCN1CCn2cnnc2C1 81538350 YQPWVZFQNJHFPW-UHFFFAOYSA-N 207.241 0.794 10 10 BCCE COc1cc(CN(C)CC(=O)O)cc(O)c1O 82306280 RMWPQKXCJBKAAR-UHFFFAOYSA-N 241.243 0.623 10 10 BCCE Nc1ccc(CNCCOCCO)cc1 83346275 KOZWREZZQZGNFD-UHFFFAOYSA-N 210.277 0.367 10 10 BCCE COc1ccc2c(c1)[C@H](NC(=O)CCN)CN2C 83907923 UBPOZMLMUDZOPY-LLVKDONJSA-N 249.314 0.651 10 10 BCCE C[C@H](N)C(=O)NCc1ccc2c(c1)OCCN2C 83961533 SBALCXSKVHVRIF-VIFPVBQESA-N 249.314 0.479 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)[C@@H]1CCCOC1 90260580 JMRSRIXUKCQSKF-BDAKNGLRSA-N 241.295 0.557 10 10 BCCE CC(C)[C@H](O)CNC(=O)c1cc(O)nc(O)c1 126126815 XHJAEZWTCMKYST-MRVPVSSYSA-N 240.259 0.240 10 10 BCCE CCOC(=O)CC(=O)NCc1ccc(N)cc1 169812465 RBUCUPWQIFVBHP-UHFFFAOYSA-N 236.271 0.838 10 10 BCCE C[C@@H]1CCNC[C@H]1NC(=O)Cc1ccc(N)cc1 186661743 QLYGVDYNASTBDT-ZWNOBZJWSA-N 247.342 0.926 10 10 BCCE CNC(=O)[C@@H]1CCCN1c1ccc(OC)cc1N 213377843 JMNPHNBJZTUHER-LBPRGKRZSA-N 249.314 0.992 10 10 BCCE N[C@@H](CO)c1cc2c(c(Cl)c1O)OCC2 213825076 BHBPSLJIUUMRFJ-ZETCQYMHSA-N 229.663 0.973 10 10 BCCE COc1ccc(N2CC[C@H](C(N)=O)C2)c(N)c1 234937709 BJUSMIHNPSOOKF-QMMMGPOBSA-N 235.287 0.589 10 10 BCCE N[C@H](C(=O)O)c1cc2oc(=O)sc2cc1O 258308572 MZOITOLRYJKXLW-ZETCQYMHSA-N 241.224 0.645 10 10 BCCE COc1cc(C)cc(O)c1[C@](C)(N)C(=O)O 309530035 CMJZZUSVURXONI-NSHDSACASA-N 225.244 0.968 10 10 BCCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1csnn1 381034302 DXHRUHDGDGAMTH-ZCFIWIBFSA-N 241.280 0.355 10 10 BCCE NC(=O)C1CN(CCCc2ccc(N)cc2)C1 382072996 YJLVNJINRLGBQP-UHFFFAOYSA-N 233.315 0.619 10 10 BCCE COC(=O)C[C@@H](NO)c1ccc(O)cc1O 382636866 FPCGUFGJQNKCLB-MRVPVSSYSA-N 227.216 0.681 10 10 BCCE CCO[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1N=[N+]=[N-] 389458684 CVDHWPSMDHXLGS-LXGUWJNJSA-N 217.225 0.170 10 10 BCCE NCCCCCNC(=O)c1cc(O)nc(O)c1 398122000 XETDSPQTYWIVCM-UHFFFAOYSA-N 239.275 0.352 10 10 BCCE CN1CCc2cc([C@H](O)c3ncn(C)n3)ccc21 714720245 QELFQWDRZSVVEH-LBPRGKRZSA-N 244.298 0.889 10 10 BCCE CC[C@H](CNC(=O)c1cccc(O)c1O)NC 716679511 OUUHVCIFJKSTOL-MRVPVSSYSA-N 238.287 0.826 10 10 BCCE CC1=S=C/C(=C2\N=C[C@H](C([O])=O)O2)C1 725631736 BGGKACDMCIDTKW-UQBZRGDZSA-N 210.234 0.756 10 10 BCCE CC(=O)C(=O)COC(=O)c1cc(C)nnc1C 808543707 BNVSMJCJXNVCBM-UHFFFAOYSA-N 236.227 0.408 10 10 BCCE CC(=O)C(=O)COC(=O)c1cn(C(C)C)cn1 811211514 FFKRRHAFVOWRNZ-UHFFFAOYSA-N 238.243 0.779 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2CNCC23CC3)cc1 1515709266 XAKKTZUPZVEQMR-GFCCVEGCSA-N 245.326 0.680 10 10 BCCE NCC(F)(F)Cc1ccc(O)c(O)c1O 1536084723 QYKQVOCTCVRBKT-UHFFFAOYSA-N 219.187 0.940 10 10 BCCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCCC2)C1 1912144304 REPBSOVKWAKPMV-UHFFFAOYSA-N 231.281 0.322 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CCS2(=O)=O)C1 1912167665 NMDIENKNFONKIY-RQJHMYQMSA-N 244.276 0.085 10 10 BCCE CCCc1c(C(=O)NCCN=[N+]=[N-])nnn1C 1912176749 DKDMVHHIEJZJQK-UHFFFAOYSA-N 237.267 0.808 10 10 BCCE COc1cc(N)c(N2CC[C@H]2CO)cc1OC 1944098569 AIOXYTRGFPBZAN-QMMMGPOBSA-N 238.287 0.857 10 10 BCCE C[C@H](O)CCCn1ccc2c(c1=O)CNCC2 1945574194 MFDANHPNLMSZKI-JTQLQIEISA-N 236.315 0.655 10 10 BCCE OC[C@@H]1CO[C@@H](CNCc2ccccc2O)C1 1949821618 UNOXDQSHTPCJCE-ZYHUDNBSSA-N 237.299 0.879 10 10 BCCE O=C(O)[C@@H](O)CCc1ccc(O)c(O)c1O 1951602421 PKDJUFJLTDUNGI-ZETCQYMHSA-N 228.200 0.182 10 10 BCCE N[C@@H](c1ccc([N+](=O)[O-])cc1O)C1(O)CC1 1952405748 OJKLYGFFVYPQDU-VIFPVBQESA-N 224.216 0.825 10 10 BCCE C[S@@](=O)CC1CN(c2ccc(CN)cc2)C1 1979473906 OLIHTUDGBGYZKW-MRXNPFEDSA-N 238.356 0.960 10 10 BCCE Nc1ccc(NC(=O)NC[C@H]2C[C@@H]2N)cc1 1989308940 XGFIEWNOTFSDIM-XCBNKYQSSA-N 220.276 0.738 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2[C@H]3CCNC[C@@H]32)C1 2003171086 UQJOEVUHOYEIAC-VGBILLHSSA-N 236.315 0.108 10 10 BCCE N[C@H]1CC[C@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2003172931 RNWLZWLLMPGZQG-NAKRPEOUSA-N 238.331 0.770 10 10 BCCE Nc1ccc(OCCCN2C[C@H](O)CO2)cc1 2004807074 UECVVTMLVVTQMM-NSHDSACASA-N 238.287 0.646 10 10 BCCE Nc1cccc(F)c1N[C@H]1CCNC[C@H]1CO 2016905006 XKIAVQNTLCABEG-KWQFWETISA-N 239.294 0.790 10 10 BCCE O=C1NCC[C@@H]1CNCc1cc(F)ccc1O 2019988835 RWWFXCMLOMPYAM-MRVPVSSYSA-N 238.262 0.757 10 10 BCCE CN1CCc2cc([C@H](O)[C@]3(N)CCOC3)ccc21 2044713956 LGJVCDPBHRHHBL-KBPBESRZSA-N 248.326 0.830 10 10 BCCE CCNC(=O)C1CN(CCc2ccc(N)cc2)C1 2049058498 CZVRHEGYQGTQKO-UHFFFAOYSA-N 247.342 0.879 10 10 BCCE C[C@@H]1OCC[C@@H]1Cn1ccc2c(c1=O)CNCC2 2057519325 LBBTYPYOWZILCY-CMPLNLGQSA-N 248.326 0.919 10 10 BCCE C[C@H]1CN(CCNCc2ccccc2O)C(=O)N1 2223087907 FLEUGFOPPXMEJW-JTQLQIEISA-N 249.314 0.896 10 10 BCCE Cn1cc[n+]2c1-c1ccccc1S2(=O)=O 71782222 JICVQDFSCQLVSU-UHFFFAOYSA-N 221.261 0.530 10 10 BCCE CN1C[C@@H](N)[C@H](c2ccc(O)c(O)c2)C1 74175799 IKDZJLCPXSNOKS-DTWKUNHWSA-N 208.261 0.454 10 10 BCCE COC(=O)CNCc1ccc(O)c(O)c1O 83355130 JSEBSPBNPKBSLV-UHFFFAOYSA-N 227.216 0.066 10 10 BCCE CCCNC(=O)[C@H](N)c1ccc(OC)cc1O 83365895 HGQYBWVYCFNVDL-LLVKDONJSA-N 238.287 0.927 10 10 BCCE CCn1cncc1[C@H](NCCN=[N+]=[N-])C(=O)O 90256633 BOVHNFVSGKXCLD-QMMMGPOBSA-N 238.251 0.929 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cscn1 126542352 YZZHEBRNHYQWSU-ZETCQYMHSA-N 240.292 0.960 10 10 BCCE CC(C)NCCNC(=O)c1cccc(O)c1O 126664747 OINHUCSJVUKEGQ-UHFFFAOYSA-N 238.287 0.826 10 10 BCCE N[C@@H](CC(=O)O)c1cc2c(cc1O)COC2 212091605 RZCPGVZKRQVGQC-VIFPVBQESA-N 223.228 0.897 10 10 BCCE COc1cccc(CNN2CCOCC2)c1O 214344970 FGYJXBWPDDVSHH-UHFFFAOYSA-N 238.287 0.738 10 10 BCCE COC(=O)[C@H]1NC(=O)[C@@H]1CCCN=[N+]=[N-] 219412936 UIMFKQOHJHOOSG-RITPCOANSA-N 212.209 0.365 10 10 BCCE COc1ccc(N2CCN(C)C[C@@H]2CN)cc1 250370225 IHROJXONKDANOV-LBPRGKRZSA-N 235.331 0.774 10 10 BCCE CN[C@@H]1CN(C)c2ccc(OC)cc2[C@@H]1O 257756707 PPAOSWYIWSAXCF-PWSUYJOCSA-N 222.288 0.766 10 10 BCCE 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N[C@]1(CO)CCOc2cc(O)c(O)cc21 713743640 JSUZZDAKOLCODU-JTQLQIEISA-N 211.217 0.027 10 10 BCCE Oc1ccc(CNC[C@H]2C[C@@H](O)C2)cc1O 720936412 LYGCGJOLONVNLR-AOOOYVTPSA-N 223.272 0.958 10 10 BCCE O=C1COC[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 725424770 SOBGRTPWRUZBQZ-QMMMGPOBSA-N 238.199 0.488 10 10 BCCE Oc1ccc(C[C@]2(O)CCNC2)c(O)c1O 1535832001 DDEWNRAJCIJXEB-LLVKDONJSA-N 225.244 0.070 10 10 BCCE O=C(N[C@@H]1COC[C@@H]1F)c1ccc(O)c(O)c1 1909600280 MKIPXATYJWRLJN-JGVFFNPUSA-N 241.218 0.565 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1912170629 ZRVIGDLENOBCRJ-BQBZGAKWSA-N 223.236 0.176 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)c2cc[nH]n2)C1 1912181980 VSWYDVCPKXSFCX-ZCFIWIBFSA-N 242.264 0.483 10 10 BCCE [N-]=[N+]=NC1CCN([C@@H]2COC[C@H]2O)CC1 1912183286 NHKTWQUWTGJADI-RKDXNWHRSA-N 212.253 0.521 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 1912205532 ARALCEXJWSRKJL-MRVPVSSYSA-N 237.263 0.520 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1912208316 SNNMHCKVSGFDNY-ZETCQYMHSA-N 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BCCE CN(CCn1ccc2c(c1=O)CNCC2)C1CC1 2221303663 KFZOWZKKCCIMBT-UHFFFAOYSA-N 247.342 0.588 10 10 BCCE NCCCCNC(=O)c1ccc(O)c(O)c1 39098723 ZKSJBLUVFWNNPG-UHFFFAOYSA-N 224.260 0.567 10 10 BCCE biogenic COc1cc([C@H](N)C(=O)O)c(O)cc1C 72196178 BXKGZUQSQIXWDX-VIFPVBQESA-N 211.217 0.794 10 10 BCCE CN1CCNC[C@H]1c1ccc(O)c(O)c1O 83353320 APWBSFGSUIMNLQ-QMMMGPOBSA-N 224.260 0.380 10 10 BCCE O=c1ccc([C@@H]2NCCc3cccc(O)c32)n[nH]1 83660440 IJBBGBNUKBQURD-ZDUSSCGKSA-N 243.266 0.711 10 10 BCCE C[C@H](N)c1ccc(N2CCN(C)C(=O)C2)cc1O 93671863 JGOUKTNCABLZPR-VIFPVBQESA-N 249.314 0.690 10 10 BCCE Cc1c(C)c(=O)n(Cc2ccc(N)cc2)[nH]c1=O 110442900 PSMLZQJXIXKEHJ-UHFFFAOYSA-N 245.282 0.784 10 10 BCCE Cc1c(C(=O)O)nnn1-c1ccc(N)cc1 113689763 SDAIIVGGLLJSLC-UHFFFAOYSA-N 218.216 0.856 10 10 BCCE C[C@H](CN)N(C)C(=O)c1cccc(O)c1O 163294587 XXWFUCJUVBAXNP-SSDOTTSWSA-N 224.260 0.517 10 10 BCCE Cc1ncsc1[C@@H](NCCN=[N+]=[N-])C(N)=O 226706872 UPURIZLIHYGRLT-ZCFIWIBFSA-N 240.292 0.878 10 10 BCCE OCC(F)(F)CNCc1cccc(O)c1O 228651679 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QMMXLGASMRJQAM-JTQLQIEISA-N 231.198 0.599 10 10 BCCE C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1nc[nH]n1 1860076017 OGCMRJMIPVHLBB-SSDOTTSWSA-N 247.258 0.793 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)NC2CC2)C1 1912150671 WVXIJMBMDCFDRL-SSDOTTSWSA-N 231.281 0.368 10 10 BCCE Cn1cnc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1 1912160156 RJWDSIWVHPSCJX-SSDOTTSWSA-N 220.236 0.945 10 10 BCCE CN(C(=O)CN1CC(N=[N+]=[N-])C1)C1CC1 1912164924 ZCRYPLWBSWOIBP-UHFFFAOYSA-N 209.253 0.602 10 10 BCCE CC(=O)N(C)CC(=O)N(C)CCN=[N+]=[N-] 1912177831 KVBVDGSNWSMSTJ-UHFFFAOYSA-N 213.241 0.233 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)N[C@@H]1CCOC1 1912210224 GQZYJHIZOUFQGP-SSDOTTSWSA-N 213.241 0.727 10 10 BCCE Cc1cccc(CN[C@@H]2CC(=O)NC2=O)c1O 1947011918 MWKITUWJIGXRMQ-SECBINFHSA-N 234.255 0.205 10 10 BCCE Oc1ccc(CO[C@@H]2CCNC2)cc1O 1951525501 VCZWIIMRQSFELA-SECBINFHSA-N 209.245 0.976 10 10 BCCE COC(C)(C)[C@@H](N)c1cc(O)nc(O)c1 1952431041 DFDVMMYQDKYRNK-VIFPVBQESA-N 212.249 0.918 10 10 BCCE Cc1ccc(O)c([C@]2(N)C[C@H]2C(=O)O)c1 1952759554 CMBFTLQDQFWLNX-GZMMTYOYSA-N 207.229 0.959 10 10 BCCE [N-]=[N+]=NCCCN1CCC[C@@](O)(CN)C1 1962288563 YFOYLJQNOICBIM-SECBINFHSA-N 213.285 0.472 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2C[C@H]3CNC[C@@H]32)cc1 1967061702 WHTUPKVJFZRJPU-WCFLWFBJSA-N 245.326 0.535 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C[C@@]2(O)CCOC2)C1 1980663572 AVJIKAGQPUNVHP-UWVGGRQHSA-N 226.280 0.770 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H](CO)OCC12CC2 1986284870 MQICSNLMVRLFGR-VIFPVBQESA-N 226.280 0.913 10 10 BCCE CCNCCNC(=O)Nc1ccc(N)cc1 1989307209 GKQAPDTVRRXRKU-UHFFFAOYSA-N 222.292 1.000 10 10 BCCE N[C@H]1COCCN(Cc2c(O)cccc2F)C1 1997970635 FGFAZIXZRATAKP-SECBINFHSA-N 240.278 0.691 10 10 BCCE C[C@H](c1ccccc1O)N1C[C@@H](N)C[C@H](O)C1 2002704382 TXGJOJHFSDEMNN-VWYCJHECSA-N 236.315 0.847 10 10 BCCE CO[C@H]1CN(Cc2c(O)cccc2F)C[C@H]1N 2009267661 DYRDKZLCWJJVEN-PWSUYJOCSA-N 240.278 0.689 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2016887962 SQXSMPNSOOFIBP-URLYPYJESA-N 232.287 0.608 10 10 BCCE CO[C@H]1CN(Cc2ccc(F)cc2O)C[C@H]1N 2024815211 URODNDJMJPRVDE-PWSUYJOCSA-N 240.278 0.689 10 10 BCCE CN1C(=O)CC[C@@H](NCc2ccc(N)cc2)C1=O 2031663067 PZYJMYDELMFWEP-LLVKDONJSA-N 247.298 0.506 10 10 BCCE CN1CC[C@H](Cn2ccc3c(c2=O)CNCC3)C1 2033368822 CDMTYWNXIXUTMN-NSHDSACASA-N 247.342 0.446 10 10 BCCE N[C@@]12CC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2034322494 NLIBLGFAPVCSGY-PRHODGIISA-N 249.270 0.056 10 10 BCCE Cc1cccc(O)c1CN1CCN(C)C[C@H]1CN 2042626775 PJJCLYLAFTZFEG-GFCCVEGCSA-N 249.358 0.775 10 10 BCCE CC[C@H](c1ccccc1O)N1CC(N)(C(N)=O)C1 2047098732 KFZBUHBLFYBBQL-SNVBAGLBSA-N 249.314 0.342 10 10 BCCE CN1CCN(C(=O)c2cccc(O)c2O)[C@@H]2C[C@@H]21 2049404912 RPCUEZILGDZHPM-VHSXEESVSA-N 248.282 0.626 10 10 BCCE COc1nc(=N)[nH]c(=NCc2ccccc2O)[nH]1 2053438653 NLFVATCMQRYYSR-UHFFFAOYSA-N 247.258 0.032 10 10 BCCE Cc1cccc(CNc2nnc(O)nc2O)c1O 2084056220 GDTVEQFKOKVAPK-UHFFFAOYSA-N 248.242 0.909 10 10 BCCE OC[C@H]1CC[C@@H]1NCc1cccc(O)c1O 2210354852 CXEBRIPWTHIVOP-ZJUUUORDSA-N 223.272 0.958 10 10 BCCE CN1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O 2296733084 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0.637 10 10 BCCE COC[C@H](N)c1cccc([N+](=O)[O-])c1O 238365020 FDLMITYYIVTRTG-ZETCQYMHSA-N 212.205 0.947 10 10 BCCE O=C(NCc1ccccc1O)N[C@H]1CCNC1 258340218 ZDNHEQRKNVLNDH-JTQLQIEISA-N 235.287 0.553 10 10 BCCE CCOC(=O)[C@@H](CN)c1ccc(O)c(O)c1 260411408 LHGYNKAZUFXXEV-QMMMGPOBSA-N 225.244 0.703 10 10 BCCE COc1cc(CNC[C@@H](C)O)cc(O)c1O 309924822 UUEJUBURJQJFFG-SSDOTTSWSA-N 227.260 0.577 10 10 BCCE Oc1n[nH]c(CN[C@@H]2CCc3cccc(O)c32)n1 392451229 JUWUFUUNGCHETP-MRVPVSSYSA-N 246.270 0.993 10 10 BCCE CN(CCCN=[N+]=[N-])CC(C)(CO)CO 689776950 YBINXOBJLCSDGF-UHFFFAOYSA-N 216.285 0.610 10 10 BCCE O=C(O)[C@H]1Nc2ccccc2N[C@H]1C(=O)O 706444890 BVZSKMAGXKYWTL-OCAPTIKFSA-N 222.200 0.430 10 10 BCCE Cc1cccc(O)c1CNCCc1nnnn1C 877133346 FTMYHOWMPGOFNC-UHFFFAOYSA-N 247.302 0.556 10 10 BCCE CC(=O)N1CCC[C@H]1C(=O)N(C)CCN=[N+]=[N-] 1912148816 XZMUGZLCVJODGK-VIFPVBQESA-N 239.279 0.766 10 10 BCCE CCn1nccc1C(=O)NCCN=[N+]=[N-] 1912155442 LAIKOCUPLJPTAS-UHFFFAOYSA-N 208.225 0.943 10 10 BCCE CC(=O)NCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912167444 KUYPCDYXDCKALG-QMMMGPOBSA-N 225.252 0.281 10 10 BCCE C[C@@H]1CCN(CCCN=[N+]=[N-])[C@H]1C(N)=O 1912192898 KXBAXFJWKYBDSK-HTQZYQBOSA-N 211.269 0.883 10 10 BCCE COC(C)(C)CS(=O)(=O)N1CC(N=[N+]=[N-])C1 1912206713 KXUHSSWYUXXCAD-UHFFFAOYSA-N 248.308 0.736 10 10 BCCE CNC(=O)[C@@H](C)N(C)c1ccc(CN)cc1F 1916793952 ZZDXGDMOPXQKQV-MRVPVSSYSA-N 239.294 0.855 10 10 BCCE NC[C@H]1CCN1Cc1ccc(O)c(O)c1 1928893544 ZCXZJRHSDNBLOP-SECBINFHSA-N 208.261 0.631 10 10 BCCE Cc1cccc(N)c1N[C@H]1CN(C)C[C@H]1O 1937206291 XHONTJRZLJQMEF-WDEREUQCSA-N 221.304 0.664 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@H]2C(=O)NC[C@@H]2C1 1939935252 LOWFTAJIOWXWJO-BDAKNGLRSA-N 223.280 0.755 10 10 BCCE CN1CCC[C@H]1C(=O)NCc1ccc(N)cc1 1946126440 BGHRBNMPPQNJCA-LBPRGKRZSA-N 233.315 0.979 10 10 BCCE NC(=O)[C@@H](NCc1cccc(O)c1O)C1CC1 1947320950 CWNBYPQUDZIUEK-JTQLQIEISA-N 236.271 0.451 10 10 BCCE CO[C@@H]1C[C@@H]2C[C@H]1C[C@]2(O)C(=O)C(C)=O 1958210856 KNNZVOGZPLKCCI-WYOJIJJFSA-N 212.245 0.321 10 10 BCCE CO[C@H]1CN(Cc2c(C)cccc2O)C[C@H]1N 2009266111 BHLJZNTZOPONRQ-YPMHNXCESA-N 236.315 0.859 10 10 BCCE Nc1ccc(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)cc1 2016099901 IHMKDQKUQFNISS-WUHRBBMRSA-N 234.299 0.732 10 10 BCCE Cn1cnc([C@@H](O)[C@H](N)c2ccccc2O)n1 2016250741 VXNRISINXZXHRO-ZJUUUORDSA-N 234.259 0.254 10 10 BCCE Nc1cccc(F)c1N[C@H]1CCNC[C@@H]1CO 2016905005 XKIAVQNTLCABEG-KCJUWKMLSA-N 239.294 0.790 10 10 BCCE Cc1cc(CO)ccc1N1CCC1(CO)CO 2018509582 MYGTWZINMXICJS-UHFFFAOYSA-N 237.299 0.421 10 10 BCCE COCC(COC)[C@@H](NN)c1ccccc1O 2022003081 PSNPTJUPDKBCOF-GFCCVEGCSA-N 240.303 0.806 10 10 BCCE C[C@]1(CNCc2ccc(F)cc2O)CC(=O)N1 2025627591 QWYASRGJUUHAJL-GFCCVEGCSA-N 238.262 0.900 10 10 BCCE C[C@@H]1O[C@@H](C)C(=O)N(c2ccc(N)cc2)C1=O 2026268272 WFMYFQHICIMMJN-YUMQZZPRSA-N 234.255 0.936 10 10 BCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H]1C 2062244549 JAVKANGLOGSAAA-KBVBSXBZSA-N 249.314 0.661 10 10 BCCE CN(C)C[C@H](O)CN1CCc2cc(CN)ccc21 2069540199 UKLLDAVFZGFFNT-ZDUSSCGKSA-N 249.358 0.430 10 10 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240.259 0.450 10 10 BCCE CNCc1cnc(SCC(=O)NC)s1 1934276394 KMVOSQIKZRXKLL-UHFFFAOYSA-N 231.346 0.701 10 10 BCCE CN(CCN=[N+]=[N-])C[C@@H]1C[C@H](CO)CO1 1934441994 QWFFWLYEYYWMJH-BDAKNGLRSA-N 214.269 0.626 10 10 BCCE O=C(O)[C@@H](NCCCO)c1cc(F)ccc1O 1941408614 ILHKMJNKOIEPFG-JTQLQIEISA-N 243.234 0.629 10 10 BCCE COC(=O)[C@](C)(N)Cc1cc(O)c(O)c(O)c1 1951732111 HIVUJBUVQGORGJ-LLVKDONJSA-N 241.243 0.236 10 10 BCCE CC(C)(N)[C@](C)(O)c1ccc(O)c(O)c1O 1951961315 GYFAKHRZAYYHKS-LLVKDONJSA-N 227.260 0.748 10 10 BCCE O=C1CNC[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 1952078441 YPAWRSJDPMILHQ-QMMMGPOBSA-N 237.215 0.061 10 10 BCCE COC(=O)[C@](C)(N)c1cc(O)c(O)c(OC)c1 1952081181 KVIKATYRQOYGBO-LLVKDONJSA-N 241.243 0.453 10 10 BCCE COc1cc([C@H]2CCNC2=O)cc(O)c1O 1952134159 DEOCNHYCVPFWPE-SSDOTTSWSA-N 223.228 0.710 10 10 BCCE Oc1ccc([C@@H]2OCC[C@H]2O)c(O)c1O 1952235965 IUHSVDBSBZGROC-XCBNKYQSSA-N 212.201 0.626 10 10 BCCE CN(CCN=[N+]=[N-])CCN1CCNCC1 1962298905 ISUDPRDWQVGBLK-UHFFFAOYSA-N 212.301 0.134 10 10 BCCE Cn1cccc(C(=O)NCCCN=[N+]=[N-])c1=O 1963700178 VOMFZJUIBAKYNF-UHFFFAOYSA-N 235.247 0.816 10 10 BCCE NC1[C@H]2CN(Cc3c(O)cccc3F)C[C@H]12 1978507721 GVMDRALMMPCOQM-YUMQZZPRSA-N 222.263 0.920 10 10 BCCE Nc1cccc(F)c1N[C@@H]1CNCC[C@@H]1O 1989375836 NDKSSWDXFVFMFT-ZJUUUORDSA-N 225.267 0.543 10 10 BCCE COc1cccc(O)c1CN1CCN[C@H]2C[C@@H]21 1997941735 WFAYKIMHRMIMCQ-QWRGUYRKSA-N 234.299 0.947 10 10 BCCE Cn1nnnc1CNCc1c(O)cccc1F 1997946446 NWVQNEXFCOVNQY-UHFFFAOYSA-N 237.238 0.345 10 10 BCCE CN(C[C@](C)(O)C(=O)O)c1ccc(CN)cc1 1998255175 HNVPKIOBWLIEFI-LBPRGKRZSA-N 238.287 0.417 10 10 BCCE Nc1ccc(OCC(=O)OCC2COC2)cc1 2004045790 OEYJOTOCNCAWNT-UHFFFAOYSA-N 237.255 0.837 10 10 BCCE O=c1nc(CNCc2cccc(F)c2O)[nH]o1 2005019689 JMDWODHPOQJBNX-UHFFFAOYSA-N 239.206 0.497 10 10 BCCE C[C@H](N[C@@H](CO)[C@H](C)O)c1ccc(O)cc1O 2005847067 KLBATCPXVKDODX-LAEOZQHASA-N 241.287 0.490 10 10 BCCE C[C@@H](O)[C@@H](CO)N[C@@H]1CCc2cccc(O)c21 2005856745 NRSDKVSESLBVED-FBIMIBRVSA-N 237.299 0.711 10 10 BCCE CCN=c1nncc(-c2ccn(C)c(=O)c2)[nH]1 2012460445 OOLHPGIKTITULV-UHFFFAOYSA-N 231.259 0.091 10 10 BCCE Cc1ccc(CN2CCO[C@@H](CN)C2)c(O)c1 2024814802 NXIRUDLXRHFBQC-LBPRGKRZSA-N 236.315 0.860 10 10 BCCE Oc1ccc(CCN[C@@H]2C[C@@H]3NCC[C@H]32)cc1O 2037225646 WPUYMISUDPUINC-TUAOUCFPSA-N 248.326 0.980 10 10 BCCE Nc1ccc(CC(=O)NC[C@H]2[C@H]3CNC[C@H]32)cc1 2071703753 OPQGVLPBGAAZKV-CLLJXQQHSA-N 245.326 0.393 10 10 BCCE CC[C@]1(C(=O)O)C[C@@H]1C(=O)NCCN=[N+]=[N-] 2210533515 FBDBBONRFAEJEX-MUWHJKNJSA-N 226.236 0.914 10 10 BCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CNC(=O)C1 2213591241 OEAGYIIMHMGCHM-BIIVOSGPSA-N 237.263 0.470 10 10 BCCE COc1ccc(N(C)[C@@H](C)C(N)=O)c(C=O)c1 2214859130 XWQFVZSBRATHLM-QMMMGPOBSA-N 236.271 0.818 10 10 BCCE NC(=O)CCN1CCN(c2ccc(N)cc2)C1=O 2221218275 WAXGFMOSFOBHJQ-UHFFFAOYSA-N 248.286 0.386 10 10 BCCE NC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(N)cc1 2243597112 RMELJMDIPSMWMF-IUCAKERBSA-N 219.244 0.329 10 10 BCCE N[C@@H]1C[C@@]12C[C@H]2C(=O)NCc1ccccc1O 2248163021 HRZXXYBWXWDMED-UFGOTCBOSA-N 232.283 0.746 10 10 BCCE COc1ccc(N2CC([C@H](O)CO)C2)cc1C 2300035758 DIPAUYARHCDUJF-GFCCVEGCSA-N 237.299 0.793 10 10 BCCE CNCC(=O)c1ccc(O)c(O)c1N=O 5441076 QAAUWVKIJNJMRO-UHFFFAOYSA-N 210.189 0.898 10 10 BCCE CS(=O)(=O)CCNCc1ccc(O)cc1O 37740569 RHZFRAQQGHKXBV-UHFFFAOYSA-N 245.300 0.232 10 10 BCCE CCO[C@H]1C(=O)C(=O)[C@@H]1Nc1cccnc1 39098869 RJPYBZOVIMYWTI-GZMMTYOYSA-N 220.228 0.419 10 10 BCCE CN(C)c1cnn(Cc2ccc(N)cc2)c(=O)c1 158898844 XWPFNSGIACLCCL-UHFFFAOYSA-N 244.298 0.940 10 10 BCCE COc1ccc2c(c1)C[C@@H]1C(=O)NCCN21 204411398 OXSLTLUXYLHNLM-LLVKDONJSA-N 218.256 0.556 10 10 BCCE COc1ccc(N2CCNC[C@H](O)C2)cc1 221658890 SZSCUXRNSSGNRI-NSHDSACASA-N 222.288 0.466 10 10 BCCE CCOCCNC(=O)c1ccc(O)c(O)c1 226955216 MBNADQGFAHZGMM-UHFFFAOYSA-N 225.244 0.864 10 10 BCCE C[C@H](NCCNC(N)=O)c1c(O)cccc1O 235513021 OHHZDBFSKGYWJH-ZETCQYMHSA-N 239.275 0.417 10 10 BCCE Cn1nnc(COC(=O)Cc2ccc(N)cc2)n1 236101637 YYQDJPQMJARDDN-UHFFFAOYSA-N 247.258 0.078 10 10 BCCE COc1cc(F)cc(O)c1[C@@H](N)CO 258203145 SQQLONICWIMNNL-LURJTMIESA-N 201.197 0.532 10 10 BCCE NC[C@H]1CC[C@H](c2ccccc2O)NC1=O 258566163 RYRZDVGUQWMGDJ-PSASIEDQSA-N 220.272 0.918 10 10 BCCE COc1ccc(N2CCC[C@@](O)(CN)C2)cc1 258982671 SMMVVWRFBLAKLZ-CYBMUJFWSA-N 236.315 0.985 10 10 BCCE CN1C[C@@H](NCc2ccc(O)cc2O)CC1=O 310332541 BZLHFWXSFXPWEF-VIFPVBQESA-N 236.271 0.418 10 10 BCCE Nc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 380981687 BBXWKLIKUCAUJS-IUCAKERBSA-N 220.228 0.928 10 10 BCCE CCOc1ccc([C@H]2NCC(=O)N2)c(O)c1 381729373 NDWSKNMOGVRODS-NSHDSACASA-N 222.244 0.509 10 10 BCCE CN(CC[S@@](C)=O)Cc1cc(N)ccc1O 398944106 IUPVSSDWPGSPPO-MRXNPFEDSA-N 242.344 0.785 10 10 BCCE C[C@H](N)c1ccc(N2CCOC[C@H](O)C2)cc1 399848229 JJJDFTVSMYIRLS-GXFFZTMASA-N 236.315 0.904 10 10 BCCE O=C(N[C@@]12COC[C@@H]1C2)c1cccc(O)c1O 718085579 MRNNMBDTBHUSAI-MADCSZMMSA-N 235.239 0.617 10 10 BCCE CC[C@H](CNC(=O)c1cc(O)nc(O)c1)NC 721632700 MOVOOSCNPVSFPY-MRVPVSSYSA-N 239.275 0.221 10 10 BCCE CC(=O)C(=O)COC(=O)CCc1cscn1 808517849 PHDLCQCMKSVVFE-UHFFFAOYSA-N 241.268 0.777 10 10 BCCE CCOc1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1 1145084813 DKRYFFMUEPBCFS-GWCFXTLKSA-N 237.299 0.875 10 10 BCCE CN1C[C@@H]2C[C@H](C1)N2C(=O)c1ccc(O)c(O)c1 1270036102 CHPHRDNFOQIETR-AOOOYVTPSA-N 248.282 0.626 10 10 BCCE Cc1cc(N2C[C@@H](O)C[C@H](O)C2)ccc1CO 1908641202 DVWBITJXMOSRMN-STQMWFEESA-N 237.299 0.419 10 10 BCCE CO[C@H](C(=O)NCCN=[N+]=[N-])C1CCOCC1 1912207237 WFGLBWHGIJGQSL-VIFPVBQESA-N 242.279 0.855 10 10 BCCE OCC(CO)NCc1ccc(Cl)cc1O 1928566561 VYUYBJABGIZPSS-UHFFFAOYSA-N 231.679 0.488 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCc2ccccc21 1929118879 BJDHBJYOILOKMW-GFCCVEGCSA-N 204.225 0.979 10 10 BCCE Oc1cccc(CNC[C@@H](O)CF)c1O 1930552463 FDWXNNWVZJSDDQ-QMMMGPOBSA-N 215.224 0.518 10 10 BCCE C[C@H](Nn1cnnc1)c1ccc(O)cc1O 1936596089 SUIMHBNRROKPHZ-ZETCQYMHSA-N 220.232 0.994 10 10 BCCE OC[C@@H]1COC[C@@H]1NCc1cc(F)ccc1O 1942684003 ARSJSCUHBRWUFL-KOLCDFICSA-N 241.262 0.628 10 10 BCCE COc1cccc(O)c1[C@@H]1NCCNC1=O 1951853591 HUUSYAIUYTXJCY-JTQLQIEISA-N 222.244 0.161 10 10 BCCE Cc1ccc([C@@H]2CNCC(=O)N2)c(O)c1 1952064357 LOTUVZUZHASUDO-VIFPVBQESA-N 206.245 0.461 10 10 BCCE CC(C)(C[C@H](N)C(=O)O)c1cc(O)nc(O)c1 1952535925 RBJBDCNGQCTHCY-ZETCQYMHSA-N 240.259 0.572 10 10 BCCE C[C@@](N)(CC(=O)O)c1c(O)cccc1[N+](=O)[O-] 1952660543 OGVAKHVWUXJUNM-SNVBAGLBSA-N 240.215 0.949 10 10 BCCE N[C@@H]1C[C@@]1(C(=O)O)c1cccc(O)c1O 1952676759 WVXWLNXCPMHVJJ-GMSGAONNSA-N 209.201 0.151 10 10 BCCE CN(c1ccc(CN)cc1)[C@H]1CCOC1=O 1977075453 ZZAJCWCHRMCWDN-NSHDSACASA-N 220.272 0.897 10 10 BCCE CN(C[C@H](O)C(=O)O)c1ccc(CN)cc1 1977764728 RMKNEUFOMGQJLL-JTQLQIEISA-N 224.260 0.027 10 10 BCCE COC1C(C)(C)C(O)(C(=O)C(C)=O)C1(C)C 1980581975 YHOKVXIWBGVUGO-UHFFFAOYSA-N 228.288 0.957 10 10 BCCE Cc1cccc(CNC(=O)CC(=O)O)c1O 1994455676 AEEBHUDUHYDCLR-UHFFFAOYSA-N 223.228 0.792 10 10 BCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@]1(C)CCN1 1999836198 NDUKXLZTCYNHKH-NXEZZACHSA-N 240.311 0.272 10 10 BCCE CON(C1CNC1)[C@H](C)c1ccc(O)cc1O 2003433827 QBUPKLOTEVYXCW-MRVPVSSYSA-N 238.287 0.994 10 10 BCCE Nc1ccc(N2CC[C@@H]3OCCN[C@H]3C2)cc1 2017090464 MBDIKZBNLXBXLY-STQMWFEESA-N 233.315 0.836 10 10 BCCE Nc1nc[nH]c(=NCc2ccccc2O)c1F 2023663635 OCEHPCGELMTWJR-UHFFFAOYSA-N 234.234 0.938 10 10 BCCE COc1ccc(N(C)C[C@H](O)CC(=N)N)cc1 2024785444 IWTFUGKFDIJJLO-SNVBAGLBSA-N 237.303 0.818 10 10 BCCE CN1C(=O)[C@H](N)c2ccc(N3CC(CO)C3)cc21 2031672427 MZADTASTIROXDW-GFCCVEGCSA-N 247.298 0.091 10 10 BCCE NN[C@@H](c1ccccc1O)c1cnnn1C1CC1 2036393114 IZGVSORJUYFISK-LBPRGKRZSA-N 245.286 0.871 10 10 BCCE COc1cccc(O)c1CNCc1nnnn1C 2042569904 JHAPTGXUAPKZAC-UHFFFAOYSA-N 249.274 0.214 10 10 BCCE C[C@H]1CNC(=O)CN1C(=O)Nc1ccc(N)cc1 2060847139 ABGLRFIUVHAKBM-QMMMGPOBSA-N 248.286 0.621 10 10 BCCE CN1CCc2cc([C@@H](O)C3(CN)COC3)ccc21 2067701871 SPXZWPPCDNQTAR-CYBMUJFWSA-N 248.326 0.688 10 10 BCCE CC[C@@H](C)[C@H](COc1nnc(=N)[nH]n1)OC 2210647461 SEOZYBAWFWMRBQ-RQJHMYQMSA-N 227.268 0.119 10 10 BCCE COc1cc(N2CC(O)C2)cc(OC)c1OC 2214273131 LLTCBMAOFLWUKK-UHFFFAOYSA-N 239.271 0.893 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC[C@H]2[C@H]1C2(F)F 2216579793 BGNIJRXGAKXIMV-SHYZEUOFSA-N 245.233 0.786 10 10 BCCE CN(CC1(O)CC1)C(=O)c1cc(O)nc(O)c1 2301888205 GKZUYNUIUKIGMU-UHFFFAOYSA-N 238.243 0.090 10 10 BCCE C[C@H](C(=O)O)N1CCc2cc(O)c(O)cc2C1 2302402824 CBKTZUYQSLCQEU-SSDOTTSWSA-N 237.255 0.929 10 10 BCCE COc1cc(CC[N+](=O)[O-])cc(O)c1O 2519184 CUEUFTMMGYSLCK-UHFFFAOYSA-N 213.189 0.926 10 10 BCCE CCCNC(=O)c1cc(O)c(O)c(O)c1 3814480 PBOQNHCRSUQSCP-UHFFFAOYSA-N 211.217 0.943 10 10 BCCE CCC1(Cc2ccccc2)NNC(=S)NN1 5417274 YBGRUERFRWGYJX-UHFFFAOYSA-N 236.344 0.822 10 10 BCCE N[C@@H](CCCO)Cc1ccc(O)c(O)c1 74149496 IIUPPFYNJDWXLR-VIFPVBQESA-N 211.261 0.740 10 10 BCCE C[C@H]1CN(CC(N)=O)c2cc3c(cc2N1)OCO3 76928727 CRALERLWTFGWFY-ZETCQYMHSA-N 249.270 0.521 10 10 BCCE CCCNC(=O)[C@H](N)c1cc(O)ccc1O 83353312 AODOJNQCOLYQSM-SNVBAGLBSA-N 224.260 0.624 10 10 BCCE C[C@@H]1CN(Cc2ccc(O)cc2O)CCN1 83813946 NXXCXTHCCHKKIM-SECBINFHSA-N 222.288 0.892 10 10 BCCE CN1C[C@@H](CN)Cc2cc3c(cc21)OCO3 84012511 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Cc1ccc(N)c(O)c1[C@H]1COCCN1 95719159 WASDIQZRZBSTTG-SECBINFHSA-N 208.261 0.944 10 10 BCCE Cn1cnn(Cc2ccc(N)cc2)c1=O 128222585 SXEQSKCAWJOXOZ-UHFFFAOYSA-N 204.233 0.212 10 10 BCCE Cc1cc(C(=O)O)cc([C@@H](N)C(=O)O)c1O 220821152 CQGBOUMQFGQYBI-SSDOTTSWSA-N 225.200 0.483 10 10 BCCE O=C(NC1(C(=O)O)CC1)c1ccc(O)c(O)c1 236416842 RMPKEWDMOKSXNJ-UHFFFAOYSA-N 237.211 0.445 10 10 BCCE NC(=O)NCCC(=O)Nc1ccc(N)cc1 243764959 QDWSMLORYXSXLO-UHFFFAOYSA-N 222.248 0.266 10 10 BCCE Cn1cnc([C@@H](NCCCN=[N+]=[N-])C(=O)O)c1 310547553 SUZYPKHYGKGQRT-MRVPVSSYSA-N 238.251 0.836 10 10 BCCE OCC[C@H](CO)NCc1c(O)cccc1Cl 381628345 NMIVOPMJKWUGGF-MRVPVSSYSA-N 245.706 0.879 10 10 BCCE COC(=O)[C@H]1C[C@H](N=[N+]=[N-])C[C@H](OC)O1 383681374 BYWUQPSXUIMUGS-RRKCRQDMSA-N 215.209 0.990 10 10 BCCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)C3)ccc21 383956501 COWGZRJVVBDHSS-NSHDSACASA-N 233.271 0.080 10 10 BCCE CC[S@](=O)NCCOc1ccc(N)cc1 385620989 DYEUXDAHQPMSID-HNNXBMFYSA-N 228.317 0.921 10 10 BCCE C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC(=O)N1 387284507 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10 BCCE CN1CCc2c1ccc([C@@H](N)CCO)c2O 215967710 VZURNGBDBTYZGD-JTQLQIEISA-N 222.288 0.767 10 10 BCCE Oc1ccc(CNCCc2ncno2)c(O)c1 227955073 ILNCVNMYDXWMAG-UHFFFAOYSA-N 235.243 0.813 10 10 BCCE COC(OC)[C@@H]1OC[C@H](N=[N+]=[N-])[C@@H]1O 238348110 MGCUPLPFEYKGAU-HCWXCVPCSA-N 203.198 0.044 10 10 BCCE C[C@@](N)(C(=O)O)c1c(O)cc(F)cc1F 238410726 OLWMHKSILYMMDI-VIFPVBQESA-N 217.171 0.929 10 10 BCCE OCc1cccc([C@H]2COCCN2)c1O 238696297 KWUFPOAHCZYHIY-SNVBAGLBSA-N 209.245 0.545 10 10 BCCE CN(C[C@@H](O)CO)c1ccc2c(c1)OCO2 258900821 HQDPIAZYIAILRH-SECBINFHSA-N 225.244 0.205 10 10 BCCE COC(=O)[C@@H]1CN[C@H]1c1ccccc1O 259464769 MEFNJCYODJUTTI-SCZZXKLOSA-N 207.229 0.826 10 10 BCCE CN[C@H](CO)c1cc(CO)cc(OC)c1O 309249196 PAPIKIIOXJKVFG-SECBINFHSA-N 227.260 0.146 10 10 BCCE CN[C@H](C)[C@H]1NCCc2c1ccc(O)c2O 396490565 MXJDYQPQIKYZMP-RDDDGLTNSA-N 222.288 0.893 10 10 BCCE NCc1ccc(N2CCOC[C@H]2CCO)cc1 694907956 CZRBAFUOBCIPOP-CYBMUJFWSA-N 236.315 0.733 10 10 BCCE C[C@H](NCc1cc(F)cc(F)c1O)C(N)=O 708393944 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Cc1ccc(CN2CCN(C(N)=O)CC2)c(O)c1 1140949793 LHHDGQIRZLNCEI-UHFFFAOYSA-N 249.314 0.897 10 10 BCCE O=C(Cc1ccon1)NCc1c(O)cccc1O 1456232797 BJONKCXBFDMKQV-UHFFFAOYSA-N 248.238 0.945 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@H](O)CO 1885285505 FSRIDNJWKDBTIG-YUMQZZPRSA-N 200.242 0.114 10 10 BCCE OC[C@@H]1CNC[C@H]1c1ccc(O)c(O)c1O 1894496835 DYBYGTQTWPDGMH-POYBYMJQSA-N 225.244 0.099 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)c1cnc(O)nc1O 1912151121 CSXJMXPBTVWRAB-UHFFFAOYSA-N 238.207 0.270 10 10 BCCE C[C@@H](C(=O)N1CCOCC1)N(C)CCN=[N+]=[N-] 1912151588 JEJIZDMKLJYRAG-VIFPVBQESA-N 241.295 0.476 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)C1COC1 1912155359 PTRLIINTVLREIJ-ZETCQYMHSA-N 246.292 0.490 10 10 BCCE COC(=O)[C@@](C)(O)CN1CCC(N=[N+]=[N-])CC1 1912156433 UEBUSJJKWIYCIL-JTQLQIEISA-N 242.279 0.685 10 10 BCCE CO[C@H](C(=O)NCCN=[N+]=[N-])[C@H]1CCCOC1 1912166041 RIWORJIDUICDEG-IUCAKERBSA-N 242.279 0.855 10 10 BCCE C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](N=[N+]=[N-])C1 1912166513 YGVBAZFRSOLAEK-RNFRBKRXSA-N 240.267 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10 10 BCCE Nc1ccc(CCN2CC(=O)N[C@@H]3CC[C@@H]32)cc1 2049370894 KSWRYQKOWXKDBF-OLZOCXBDSA-N 245.326 0.774 10 10 BCCE N=c1[nH]c(=NCCc2ccc(N)cc2)[nH]cc1F 2053527440 XINVMEDEKZHPDO-UHFFFAOYSA-N 247.277 0.687 10 10 BCCE Nc1ccc(CC(=O)N2CC=C[C@H]2C(=O)O)cc1 2056924269 YKLYXMHDPDVVMC-NSHDSACASA-N 246.266 0.663 10 10 BCCE Nc1ccc(N2CCC[C@]3(CNC(=O)N3)C2)cc1 2057564386 CHACFZAPDNMKEV-ZDUSSCGKSA-N 246.314 0.921 10 10 BCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)C1(CO)CC1 2064892977 WHJAWDMHKMEUKK-LLVKDONJSA-N 248.282 0.633 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@H]1CC[C@H](C(=O)O)O1 2213583240 PXUKBQREIWELLR-RNFRBKRXSA-N 242.235 0.435 10 10 BCCE CN1CCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2214261615 XXWFNCVUIIMTLV-BETUJISGSA-N 234.299 0.221 10 10 BCCE COc1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(CO)c1 2220426070 COBNDRWVBFDWQQ-ITGUQSILSA-N 249.310 0.862 10 10 BCCE Oc1cc2c(cc1O)CN(C[C@H]1CCN1)CC2 2302412533 KSLLSSLOLIYOSP-LLVKDONJSA-N 234.299 0.818 10 10 BCCE Cc1cn2c(nc1=O)O[C@@H](CN=[N+]=[N-])C2 34428131 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2081447019 AJCQEICDHPZONM-ZHAHWJHGSA-N 245.326 0.874 10 10 BCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCCO1 2213585462 OBQWTWQDTFROLJ-DJLDLDEBSA-N 240.263 0.749 10 10 BCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@H]2CC[C@H]1O2 2215147562 QQKDJWMOTSTNHJ-MRTMQBJTSA-N 240.263 0.749 10 10 BCCE COc1ccc(N2CCNC(=O)CC2)c(CN)c1 2220413027 AOGNOHKYUQSZHD-UHFFFAOYSA-N 249.314 0.480 10 10 BCCE OC[C@@H](O)[C@H]1CCN1c1ccc2c(c1)CC[C@H]2O 2258308679 LRJWCPRNCQCWKG-MGPQQGTHSA-N 249.310 0.598 10 10 BCCE COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(C)=O 40914275 MOSNISIZWMRDTO-BQBZGAKWSA-N 212.209 0.459 10 10 BCCE CC1(C)CN(CC(N)=O)c2ccc(CN)cc2O1 74337545 KCWUQSANSNQDBP-UHFFFAOYSA-N 249.314 0.608 10 10 BCCE COc1cc(O)c2c(c1)[C@H](N)CN(C)C2 82376988 CDTVIDLSLOUFMW-SNVBAGLBSA-N 208.261 0.846 10 10 BCCE CC[C@@H](N)C(=O)NCc1cc(O)ccc1O 83353226 LOACOWICTDQHOL-SECBINFHSA-N 224.260 0.451 10 10 BCCE COc1ccc2c(c1O)[C@H](c1nc[nH]n1)NCC2 83708138 RLQNFKAMHWBDCQ-SNVBAGLBSA-N 246.270 0.754 10 10 BCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccncc1 90257904 QLRRRVNQAYHQCB-SNVBAGLBSA-N 234.263 0.682 10 10 BCCE [N-]=[N+]=NC[C@@H](O)CN1C(=O)c2ccccc2C1=O 90697067 ZNFOYEMIXRVQNG-SSDOTTSWSA-N 246.226 0.954 10 10 BCCE Cc1ccc(C(=O)O)c([C@H](N)CN)c1O 95717808 SSLFDCPMLWJSHN-SSDOTTSWSA-N 210.233 0.357 10 10 BCCE Nc1cc(F)cc([C@@H]2COC(=O)N2)c1O 95718712 OVINZIFMEGWFNS-ZETCQYMHSA-N 212.180 0.894 10 10 BCCE Nc1ccc(CN2CCC[C@H]3C(=O)NC[C@@H]32)cc1 232279115 LLSYFJQYMDVFTB-OLZOCXBDSA-N 245.326 0.979 10 10 BCCE CN1CCN(C[C@@H](N)c2ccccc2O)CC1 258348164 ZQTYBKKTKLBULT-GFCCVEGCSA-N 235.331 0.639 10 10 BCCE COC(=O)C(=O)c1cc(O)c(O)c(F)c1 259963646 BKRIOISNJQUWPA-UHFFFAOYSA-N 214.148 0.593 10 10 BCCE OCC[C@@H](NO)c1cc(F)ccc1O 308379196 RLTWEBFPLDWVQP-MRVPVSSYSA-N 201.197 0.934 10 10 BCCE CC1(C)O[C@@H]2[C@H](N=[N+]=[N-])OC[C@@H](O)[C@H]2O1 308699743 WVGYPDZPLIPEAX-MVIOUDGNSA-N 215.209 0.534 10 10 BCCE Nc1ccc(C[C@H]2S[C@H](N)NC2=O)cc1 380021600 OIWVRQREYRDINP-PSASIEDQSA-N 223.301 0.285 10 10 BCCE NCc1ccc(N2CC(CC(N)=O)C2)c(F)c1 382259393 HAZPJSMTZAZAMN-UHFFFAOYSA-N 237.278 0.596 10 10 BCCE CC1(O)CN(c2ccc(CN)cc2F)C1 384002450 SOBDLFWVCJCEHM-UHFFFAOYSA-N 210.252 0.855 10 10 BCCE CC1(O)CN(C(=O)Nc2ccc(N)cc2)C1 394982203 SLTYYUUVKGEVLF-UHFFFAOYSA-N 221.260 0.867 10 10 BCCE CC1(NC(=O)c2cccc(O)c2O)CNC1 398219637 SDHVJWKKOZOAAR-UHFFFAOYSA-N 222.244 0.190 10 10 BCCE Nc1ccc(OC[C@@H]2CNC(=O)C2)cc1 400185872 JKIKFKYCPNEOLA-QMMMGPOBSA-N 206.245 0.784 10 10 BCCE CN(C)c1ccc(/C=C/C(=O)N2CC(N)C2)cc1 706081120 XKSUNTDAXHBMIU-VMPITWQZSA-N 245.326 0.935 10 10 BCCE CN(c1ccc(CN)cc1)[C@H]1COC[C@@H]1O 709401616 OSKICMUDPBSJRK-RYUDHWBXSA-N 222.288 0.341 10 10 BCCE C[C@@H](O)c1ccc(N(C)[C@H](C)C(N)=O)cc1O 711082285 OEBAAGYLSCZXRF-HTQZYQBOSA-N 238.287 0.756 10 10 BCCE Cc1cc(CO)ccc1N(C)[C@@H](C)C(N)=O 711102905 RLGTYYDPVXWSAS-VIFPVBQESA-N 222.288 0.797 10 10 BCCE CN(C)c1ccc([C@@H](N)[C@@H](O)CO)cc1 713720945 NTGXRGQVZNKNDP-WDEREUQCSA-N 210.277 0.106 10 10 BCCE C[C@@H](O)C1CN(CC(=O)Nc2ccc(N)cc2)C1 719745830 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VYGQHTUUTGSWFX-ZETCQYMHSA-N 236.271 0.707 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1nn(C)cc1Cl 1933198358 AVPOPDOFYOWQOT-QMMMGPOBSA-N 216.624 0.265 10 10 BCCE Oc1ccccc1CNC[C@H]1COC[C@@H]1O 1939165563 BXISVWABKOAWKG-JQWIXIFHSA-N 223.272 0.489 10 10 BCCE CN(C)Cc1cc([C@@H]2NCCNC2=O)ccc1O 1952355364 NGNVZPZHCATJJA-LBPRGKRZSA-N 249.314 0.214 10 10 BCCE CO[C@@H](CCO)CNCc1ccccc1O 1972494311 CWCWAOMUKRWMJX-NSHDSACASA-N 225.288 0.879 10 10 BCCE Nc1ccc(N2C(=O)CCN(O)C2=O)cc1 1978162661 ATYBCBNVWUGRNM-UHFFFAOYSA-N 221.216 0.817 10 10 BCCE CN(CCN=[N+]=[N-])C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 1982263867 DOOLFKIZXKTABT-PSVAKVPMSA-N 244.320 0.519 10 10 BCCE Nc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2F)c1 1982743010 XWLJEVFRUJWBPY-IUCAKERBSA-N 224.235 0.949 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1CC1CS(=O)(=O)C1 1984491540 XGBGBKMQVVRYMX-SECBINFHSA-N 244.320 0.806 10 10 BCCE CO[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCOC1 2001499179 PVTZXPLCYUFFCR-SNVBAGLBSA-N 240.263 0.703 10 10 BCCE CN=c1[nH]ccc(=NCc2ccccc2O)[nH]1 2005615751 DMZGPERDAYDVPU-UHFFFAOYSA-N 230.271 0.680 10 10 BCCE C[C@@]1([C@@H](NN)c2ccccc2O)COCCO1 2021908862 VDMSSFJLRRWMID-RYUDHWBXSA-N 238.287 0.702 10 10 BCCE O=C(NCCc1cnn[nH]1)c1ccc(O)c(O)c1 2029271685 GWEJDVWJTFTHSC-UHFFFAOYSA-N 248.242 0.188 10 10 BCCE N=c1cc[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2031078599 LVKRUKZEWJLMCK-UHFFFAOYSA-N 246.270 0.377 10 10 BCCE CN1C(=O)NCC12CN(c1ccc(CN)cc1)C2 2057565892 UGRWJARPPVOBKS-UHFFFAOYSA-N 246.314 0.359 10 10 BCCE Nc1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 2065722628 XLRDTFKFXYRZDR-VXGBXAGGSA-N 247.298 0.363 10 10 BCCE C[C@@H]1[C@H](N)CCN1c1cc2c(cc1N)OCCO2 2071621176 KMVHJDJXOGGYLS-RKDXNWHRSA-N 249.314 0.966 10 10 BCCE C[C@@H]1CNCC[C@@H]1Nc1c(N)cccc1C(N)=O 2071711374 RHHUMHGLRVXTAQ-KCJUWKMLSA-N 248.330 0.778 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2ncccc2C(=O)O)C1 2218736962 CVHVKSANDVZALX-UHFFFAOYSA-N 247.214 0.915 10 10 BCCE N[C@@H]1C[C@@H](O)CN(c2ccc(OCF)cc2)C1 2253094071 WVPFJVINSJCKME-MWLCHTKSSA-N 240.278 0.891 10 10 BCCE O=c1c2c(ccn1CC[C@@H]1CCO1)CCNC2 2253153514 JTXIIZUDRMPIPY-LLVKDONJSA-N 234.299 0.673 10 10 BCCE CN(C)/C=C\C=C1C(=O)OC(C)(C)OC1=O 33299783 VAWQZGIHUAQWLX-ALCCZGGFSA-N 225.244 0.824 10 10 BCCE CCOCC(=O)NCCOc1ccc(N)cc1 38079583 BOFNOZFMEHEZIW-UHFFFAOYSA-N 238.287 0.800 10 10 BCCE [N-]=[N+]=NCCNS(=O)(=O)c1cncc(F)c1 44262404 HUQLMOGVNIFUIO-UHFFFAOYSA-N 245.239 0.809 10 10 BCCE CN(C)c1ccc([C@@H]2NC(=O)C[C@@H]2N)cc1 71521316 YKPGEVNKIAWYMO-JQWIXIFHSA-N 219.288 0.641 10 10 BCCE N[C@@H](CO)c1cc(F)c(F)c(F)c1O 72198033 RGWKJQGOSAZLHV-YFKPBYRVSA-N 207.151 0.802 10 10 BCCE CO[C@@H]1[C@@H](C(=O)O)[C@H]1c1ccc(O)c(O)c1 76673373 HIQKMXANUNZYPV-UTLUCORTSA-N 224.212 0.911 10 10 BCCE CCC[C@@H](N)C(=O)NCc1cc(O)ccc1O 83365798 ZNCRRGMTPQOPAE-SNVBAGLBSA-N 238.287 0.841 10 10 BCCE Oc1cc2c(cc1O)[C@@H](C1CNC1)NCC2 83724245 VNFMOFYCUPBXAU-GFCCVEGCSA-N 220.272 0.504 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cscn1 126541380 SXROUFQJSWXEQV-LURJTMIESA-N 226.265 0.569 10 10 BCCE Cc1cc(O)c(CN[C@@H](C)C(N)=O)cc1C 134665943 XIZGHXGMTBLPHI-VIFPVBQESA-N 222.288 0.972 10 10 BCCE CC1(C)OC[C@H]([C@H](N=[N+]=[N-])C(N)=O)O1 138099056 IMERVTZRSDXPJL-UHNVWZDZSA-N 200.198 0.302 10 10 BCCE C[C@@H](N)c1ccc2c(c1)CCN2CCC(N)=O 162088683 ZQPHRLBORWZHCW-SECBINFHSA-N 233.315 0.944 10 10 BCCE CC(=O)C[C@@H](OC(C)=O)[C@@H](O)CN=[N+]=[N-] 197173689 CSADFCXSDWSLTN-JGVFFNPUSA-N 215.209 0.568 10 10 BCCE COc1ccc2nnc(CC(=O)O)nc2c1 212603899 IDEFRCKHCLDGIN-UHFFFAOYSA-N 219.200 0.661 10 10 BCCE COc1c(F)cc(C)c([C@@H](N)C(=O)O)c1O 212828461 HJRMXVPZKJHAHH-SSDOTTSWSA-N 229.207 0.933 10 10 BCCE CC(C)[C@H](NCc1ccc(O)cc1O)C(N)=O 223966802 JBMHEPKYDORJNQ-NSHDSACASA-N 238.287 0.697 10 10 BCCE CC(C)[C@@H](CN)NC(=O)c1ccc(O)c(O)c1 232690834 MGWRXVKODXDDNI-SECBINFHSA-N 238.287 0.811 10 10 BCCE COC[C@@H](CNCc1cccc(O)c1O)OC 234712026 CBFVYSJXTDKCGK-SNVBAGLBSA-N 241.287 0.849 10 10 BCCE NC(=O)[C@H]1CCN(CCc2ccc(N)cc2)C1 236279140 ODSXZICNNGYVRB-NSHDSACASA-N 233.315 0.619 10 10 BCCE COC(=O)[C@@H]1O[C@H](CN=[N+]=[N-])CC[C@@H]1O 238357406 FNPKKMFQTRHQTN-LYFYHCNISA-N 215.209 0.378 10 10 BCCE N[C@H](c1ccccc1O)[C@H]1CCS(=O)(=O)C1 257822980 BDTAIMLDFNUPAI-KWQFWETISA-N 241.312 0.827 10 10 BCCE Cc1c([C@H](CN)C(=O)O)cc(O)c(O)c1C 258583933 XEZMUJKCJOZWEN-QMMMGPOBSA-N 225.244 0.842 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1Cc2cn[nH]c2C1 311730614 CVYDFPQWJNNUDL-UHFFFAOYSA-N 245.238 0.977 10 10 BCCE Cc1cc(CN)ccc1N1C[C@H](O)[C@@H](CO)C1 316883452 BXJPSKMVJFLJEN-YPMHNXCESA-N 236.315 0.243 10 10 BCCE Nc1ccc(CCNC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1 385728784 YDEOIVNCYKXEJQ-ITGUQSILSA-N 246.310 0.820 10 10 BCCE CO[C@]1(C(=O)NCCCN=[N+]=[N-])CCOC1 402260354 HARZYIVEIHUJIG-SECBINFHSA-N 228.252 0.609 10 10 BCCE Nc1ccc(N2C[C@H](O)C[C@H]2CO)cc1 698209907 ORXRUCLABJKVCA-WDEREUQCSA-N 208.261 0.201 10 10 BCCE CC1(CNCc2cccc(O)c2O)OCCO1 716802304 YCACALPYQDNWBQ-UHFFFAOYSA-N 239.271 0.950 10 10 BCCE C[C@H](NC(=O)Cn1cncn1)c1ccccc1O 827982637 ZSSIDWMALTUCLG-VIFPVBQESA-N 246.270 0.861 10 10 BCCE Cn1ncnc1CNCc1c(O)cccc1F 896638397 PMQFJIBNLICXRM-UHFFFAOYSA-N 236.250 0.950 10 10 BCCE 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BCCE O=Cc1c(O)c(O)cc(C(=O)O)c1C(=O)O 958538370 VGNVYJVDTPBPAV-UHFFFAOYSA-N 226.140 0.307 10 10 BCCE O=C(CCCCO)NCc1c(O)cccc1O 1178912307 RTNRKBKAWANBCA-UHFFFAOYSA-N 239.271 0.877 10 10 BCCE Cc1cccc(N)c1N[C@@H]1CO[C@@H]2CNC[C@H]12 1909617764 YNEGALATIDYFDX-YUSALJHKSA-N 233.315 0.976 10 10 BCCE [N-]=[N+]=NCCCNC(=O)N1CCC[C@H](O)C1 1912208341 SYUSQDBENORSID-QMMMGPOBSA-N 227.268 0.853 10 10 BCCE CN(c1ccc(N)cc1)C1CS(=O)(=O)C1 1932009410 MWFQDFFEFPWMCS-UHFFFAOYSA-N 226.301 0.502 10 10 BCCE CN1C[C@@H](O)[C@H](Oc2ccc(N)cc2)C1 1935177601 YJBXMDVYFKRRRN-GHMZBOCLSA-N 208.261 0.323 10 10 BCCE C[C@H](O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1940573347 DFAORWDILIMBIE-YUMQZZPRSA-N 239.271 0.526 10 10 BCCE CCOC[C@H](O)CN(C)c1ccc(CN)cc1 1949785990 WMQRNWGHOYUJCM-CYBMUJFWSA-N 238.331 0.979 10 10 BCCE Oc1ccc([C@@H]2CNCCCO2)c(O)c1O 1952063557 XVKRCPAALIVERK-VIFPVBQESA-N 225.244 0.854 10 10 BCCE COC(=O)[C@H]1C[C@@]1(N)c1ccc(OC)cc1O 1952763317 OIISMNJOCUFVPW-BXKDBHETSA-N 237.255 0.748 10 10 BCCE 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0.457 10 10 BCCE Cc1nc(CNCc2cccc(O)c2O)nn1C 2070664403 HWAGYUOGHTYKRZ-UHFFFAOYSA-N 248.286 0.825 10 10 BCCE COc1cc(N2C[C@H]3C[C@H]2[C@@H]3CO)ccc1CN 2084011915 ITIJHDCORAIHJQ-RTXFEEFZSA-N 248.326 0.971 10 10 BCCE COc1cc(N2C[C@@H]3C(CO)[C@H]3C2)ccc1CO 2084018055 VHSHZZUFCBYODT-RYUDHWBXSA-N 249.310 0.862 10 10 BCCE NCc1ccc(N2C[C@H]3CCO[C@@]3(CO)C2)cc1 2223467978 BKAMMMLVGJYAIS-TZMCWYRMSA-N 248.326 0.733 10 10 BCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)CCCO2 2258321991 UJFWMCMETKZTDC-OLZOCXBDSA-N 249.310 0.944 10 10 BCCE O=S(=O)(O)O/C=C/c1ccc(O)c(O)c1 3644248 BGUVCXKOVJXTPG-ONEGZZNKSA-N 232.213 0.888 10 10 BCCE CN(C)C1=NCc2cc(O)c(O)cc2N1 27753258 WNTWFIHSJGAPPZ-UHFFFAOYSA-N 207.233 0.941 10 10 BCCE C[C@@H](OC(=O)COc1ccc(N)cc1)C(N)=O 41093746 FOHVJKOSKJRMME-SSDOTTSWSA-N 238.243 0.065 10 10 BCCE COc1ccc(O)c(CNC(=O)CCN)c1 83353202 KVGLQQIMIPWPOX-UHFFFAOYSA-N 224.260 0.366 10 10 BCCE CC(CO)(CO)NCc1c(O)cccc1Cl 129069836 CTTYFWKPDFBEMQ-UHFFFAOYSA-N 245.706 0.879 10 10 BCCE 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237.299 0.531 10 10 BCCE CC(=O)C(=O)C1(O)C[C@@H]2CC[C@H](C1)S2 1929236376 GMVJCBTWHZRJNS-JWHQNHQBSA-N 214.286 0.934 10 10 BCCE Cc1nn(C)cc1[C@@H](NN)c1ccccc1O 1942400734 MEEJYOSEPNTYMY-LBPRGKRZSA-N 232.287 0.987 10 10 BCCE O=C1C[C@H](c2cc(O)nc(O)c2)CCN1 1952606911 FNZNGOPIERSQCI-ZCFIWIBFSA-N 208.217 0.486 10 10 BCCE O=[N+]([O-])c1cccc(O)c1[C@@H]1NCC[C@@H]1O 1952755142 NJGXVPYUCVIGLG-WCBMZHEXSA-N 224.216 0.696 10 10 BCCE Cc1cccc(O)c1CN[C@@H](CO)[C@H](C)O 1982030221 OKAGDWNAKKGXSB-ONGXEEELSA-N 225.288 0.532 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)COCCC1(F)F 2002842657 UKUVMYXJTGMFKI-ZETCQYMHSA-N 249.221 0.166 10 10 BCCE CC[C@@H]1NCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003172739 PSAPVNJWMIQIHP-NAKRPEOUSA-N 238.331 0.640 10 10 BCCE Nc1ccc(N[C@@]23CC[C@@H](C2)[C@@H](O)[C@H]3O)cc1 2007880717 IVEDQUOAFJSDSW-KKBFJBPOSA-N 234.299 0.955 10 10 BCCE CCN1CCc2cc(N(CCN)CCO)ccc21 2044701899 JNEHNKWJMVYGAZ-UHFFFAOYSA-N 249.358 0.826 10 10 BCCE NC[C@H]1C=CCCN1C(=O)c1ccc(O)c(O)c1 2061971917 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BCCE NC[C@@H]1C[C@H](O)CN1Cc1c(O)cccc1F 2014238656 JATLMTOQOXAESD-IUCAKERBSA-N 240.278 0.425 10 10 BCCE Cc1cccc(CNC2([C@H](O)CO)CC2)c1O 2015912311 HQBGCCWBSYYWIZ-LLVKDONJSA-N 237.299 0.676 10 10 BCCE N[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCCO2 2042402129 VHNBKDDULOQSNU-OLZOCXBDSA-N 248.326 0.827 10 10 BCCE CCN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1ccncc1 2067756720 PCWJSIFIMAMRSV-NEPJUHHUSA-N 247.298 0.453 10 10 BCCE CC(C)(CN)NCCc1ccc(O)c(O)c1 2212690375 LXKZPEGNSZDZFI-UHFFFAOYSA-N 224.304 0.967 10 10 BCCE Cn1c(-c2c[nH]nc2CCN)nc2ccncc21 2219868562 ULKYRMPQBZFHLQ-UHFFFAOYSA-N 242.286 0.860 10 10 BCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1 2309626567 YIDYGQPQRGCEIN-CABNGKKXSA-N 248.326 0.466 10 10 BCCE COc1ccc(N(C)CC[C@@H](N)CO)cc1 82883267 GUTWGXXPXLPIFT-SNVBAGLBSA-N 224.304 0.841 10 10 BCCE Cc1cc(O)c(C[C@@H](N)C(=O)O)s1 108312936 ZPYRKLRGKQCWDO-RXMQYKEDSA-N 201.247 0.717 10 10 BCCE N[C@@H](CCO)c1c(O)ccc2c1COC2 108320459 JNWPHJVEVKMTQZ-VIFPVBQESA-N 209.245 0.805 10 10 BCCE 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NC(=O)c1c(O)nc(O)c2c1CCCC2 238667242 QLQRMYLUGNHUOL-UHFFFAOYSA-N 208.217 0.471 10 10 BCCE NC1=NNC(=O)[C@@H]1N=Nc1ccccc1 255982480 KARWINWPVZJLQK-SSDOTTSWSA-N 203.205 0.541 10 10 BCCE Cc1cc(CCN2CCNCC2)cc(O)c1O 258188196 GIRUTXZTGDVVNW-UHFFFAOYSA-N 236.315 0.854 10 10 BCCE COC(=O)c1sc2c(c1O)CC(=O)N(C)C2 381567345 TZUHTXCVKCJSAL-UHFFFAOYSA-N 241.268 0.755 10 10 BCCE CNCc1ccc(N2CC(C)(O)C2)cc1 384129129 KYBILZCJSFTSPX-UHFFFAOYSA-N 206.289 0.977 10 10 BCCE COc1ccc(O)c2c1CC[C@]2(N)C(=O)O 390091108 JDQQUHDGKRXISB-LLVKDONJSA-N 223.228 0.586 10 10 BCCE O=C(O)/C=C\C(=O)NCc1ccccc1O 390346307 XRXIPMYWACRPHX-WAYWQWQTSA-N 221.212 0.649 10 10 BCCE CCOC(=O)C1(NCCN=[N+]=[N-])CSC1 396457833 ZQTPHVIBMUYSMG-UHFFFAOYSA-N 230.293 0.935 10 10 BCCE COc1ccc(CN[C@@H](C)[C@H](O)CO)cc1C 698991257 AIKOXJOVTYLOPA-CMPLNLGQSA-N 239.315 0.835 10 10 BCCE C[C@@H](C(=O)O)N1CCN(c2ccc(N)cc2)C1=O 705540617 VUFLYMZOOVHBLO-QMMMGPOBSA-N 249.270 0.984 10 10 BCCE Nc1cccc(F)c1N[C@@H]1CCOC[C@@H]1O 706738466 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0.685 10 10 BCCE C[C@@H](NC1CN(C(N)=O)C1)c1ccccc1O 1917763659 FLJPAKRFRGGOCP-MRVPVSSYSA-N 235.287 0.806 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1scnc1Cl 1929187292 IHPBRWBAGHDJJA-RXMQYKEDSA-N 219.649 0.988 10 10 BCCE CC(=O)C(=O)[C@](C)(O)[C@H]1CCCCO1 1929235663 AFUSGAGWWSJSLH-PSASIEDQSA-N 200.234 0.465 10 10 BCCE OCCC[C@@H](CO)NCc1cccc(F)c1O 1942761002 BSVGMYBJNHAQJL-JTQLQIEISA-N 243.278 0.754 10 10 BCCE Cc1cccc(CNC[C@H]2COC[C@@H]2O)c1O 1948512357 ZZTYECDZVNDJNA-RYUDHWBXSA-N 237.299 0.798 10 10 BCCE Oc1ccc(C[C@H]2C[C@H](O)CN2)cc1O 1952075390 NYNDPLMORUMIBJ-IUCAKERBSA-N 209.245 0.363 10 10 BCCE CN1C[C@H](c2cc(F)cc(F)c2O)NCC1=O 1952216605 GXUBFPOAHAAJEO-SECBINFHSA-N 242.225 0.773 10 10 BCCE COC(=O)c1ncccc1C(=O)C(C)=O 1952339502 KRBXEZAXLFINNN-UHFFFAOYSA-N 207.185 0.640 10 10 BCCE COC(=O)CNCc1c(O)cccc1F 1958772104 CKIBKDDWQPGGEH-UHFFFAOYSA-N 213.208 0.794 10 10 BCCE CC(=O)N[C@H](C(=O)O)c1c(C)cccc1O 1976874333 VINVECDVVFHXCR-JTQLQIEISA-N 223.228 0.962 10 10 BCCE C[C@H]1CCN[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980378413 VBHAFYUSVNSYJQ-KBIXCLLPSA-N 224.304 0.250 10 10 BCCE C[C@H](N[C@@H](CO)[C@H](C)O)c1ccccc1O 1982031164 YTZXBQQRXITGHD-QXEWZRGKSA-N 225.288 0.785 10 10 BCCE N[C@@H]1CN(Cc2ccccc2O)[C@@H]2COC[C@H]12 1996491193 JMLNRGWYTWMZEP-IJLUTSLNSA-N 234.299 0.550 10 10 BCCE C[C@H]1CNC[C@@H]1Nc1c(N)cccc1C(=O)O 2016990423 AWPMZMWCCAISJP-XVKPBYJWSA-N 235.287 0.987 10 10 BCCE Cc1cccc(CNC(=O)NCC(=O)O)c1O 2024812394 RGXXNMUCDGJJMT-UHFFFAOYSA-N 238.243 0.584 10 10 BCCE CNCc1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1 2049366146 HGYHHFZQEWVBEE-QWHCGFSZSA-N 245.326 0.873 10 10 BCCE [N-]=[N+]=NCCN1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H](O)[C@@H]1O 2215591251 ZAUOQOGXCDGYNL-UATFONFRSA-N 238.291 0.216 10 10 BCCE N[C@H](c1ccccc1O)[C@H](O)[C@@H]1[C@H]2COC[C@H]21 2302574503 OAOHQAVTCVKSLI-FWEIOOQHSA-N 235.283 0.645 10 10 BCCE Cc1cc(CN)ccc1N1CC2(COC(=O)N2)C1 2326912136 SELLMNBAUCPOCQ-UHFFFAOYSA-N 247.298 0.752 10 10 BCCE CCOC(=O)C1=C(CN=[N+]=[N-])NC(=O)NC1 34924625 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232.283 0.600 10 10 BCCE CCS(=O)(=O)N(C(C)=O)c1ccc(N)cc1 242505209 BVKKRMUJCIBQJX-UHFFFAOYSA-N 242.300 0.971 10 10 BCCE COC(=O)CNC(=S)Nc1ccc(N)cc1 243548860 OJCHLQSTQIUVFW-UHFFFAOYSA-N 239.300 0.728 10 10 BCCE NCCCC(=O)N1C(=O)Cc2cc(N)ccc21 258710583 GFRUAOHCUXOOMQ-UHFFFAOYSA-N 233.271 0.423 10 10 BCCE COC(=O)C[C@@H](NO)c1ccccc1O 308979139 RQBJSJFPZWHKCA-MRVPVSSYSA-N 211.217 0.975 10 10 BCCE CN1CCOC[C@@H]1CNCc1ccccc1O 700243954 NPNOEAOWBSZNLB-LBPRGKRZSA-N 236.315 0.812 10 10 BCCE OC[C@@H]1CC[C@@H](c2cccc(O)c2O)N1 713763430 WMFWZIKJUUQCOS-CBAPKCEASA-N 209.245 0.883 10 10 BCCE CCNS(=O)(=O)N1Cc2cccc(O)c2C1 867691448 WVQAXLXTWCMUTO-UHFFFAOYSA-N 242.300 0.562 10 10 BCCE O=C(Nc1ccc[n+]([O-])c1)c1cccc(O)c1O 1454146887 ZQTGUIDGYNBWHT-UHFFFAOYSA-N 246.222 0.984 10 10 BCCE CNC(=O)CN(C)c1ccc(C=CC(=O)O)cc1 1911902669 DIVHNYOUYMPHCV-UHFFFAOYSA-N 248.282 0.967 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc(F)cn1 1912148440 SYXOJMPYNITQEX-MRVPVSSYSA-N 238.226 0.647 10 10 BCCE [N-]=[N+]=NCCCN1C[C@]2(CO)C[C@@]2(CO)C1 1912151607 JKLRLBAPRPIIFB-UWVGGRQHSA-N 226.280 0.364 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)C2COC2)C1 1912167311 JNQPMVXPRRDITI-SSDOTTSWSA-N 246.292 0.347 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCCN(C[C@@H](O)CO)C1 1912199324 QVDDUFCOXVQMJX-VHSXEESVSA-N 228.296 0.752 10 10 BCCE Nc1ccc(CNC[C@@H]2CCS2(=O)=O)cc1 1937966996 KBOPHIJLKMQODY-NSHDSACASA-N 240.328 0.546 10 10 BCCE C[C@@]1(CO)CCN1C(=O)c1ccc(O)c(O)c1 1947986192 QVDGUOCUSJULRX-LBPRGKRZSA-N 237.255 0.695 10 10 BCCE Cc1ccc(O)c([C@H](C)N2CC(O)(CN)C2)c1 1949119065 SNGWJDRIEKUSJS-JTQLQIEISA-N 236.315 0.767 10 10 BCCE C[C@H]1CN[C@H]1C(=O)N(C)Cc1ccccc1O 1949893795 KKKIFOKCKCFBGQ-JOYOIKCWSA-N 234.299 0.959 10 10 BCCE C[C@]1(Cc2ccc(O)c(O)c2)CNC(=O)CO1 1951652342 UKVQRMKYXWDBTF-LBPRGKRZSA-N 237.255 0.545 10 10 BCCE OC[C@H]1CNC[C@H]1c1cc(O)c(O)c(O)c1 1951735246 OWMRNBWJINWEDN-SFYZADRCSA-N 225.244 0.099 10 10 BCCE COc1ccc(O)c([C@H]2C[C@@H](O)CN2)c1 1952054801 GWFWZFUYWXRCGZ-GMSGAONNSA-N 209.245 0.796 10 10 BCCE O=S1(=O)CCN[C@@H](c2cc(O)ccc2O)C1 1952602159 RKQHMOHMQDBLNH-SECBINFHSA-N 243.284 0.157 10 10 BCCE CN1CCNC[C@@H]1c1c(O)cccc1[N+](=O)[O-] 1952665030 TXVKJFILQVNHOH-SECBINFHSA-N 237.259 0.877 10 10 BCCE COC(=O)[C@H]1C[C@@]1(N)c1cccc(OC)c1O 1952759498 BUPOXFKTKVCRFN-PRHODGIISA-N 237.255 0.748 10 10 BCCE N[C@@]1(c2cccc(F)c2O)C[C@@H]1C(=O)O 1952776045 SGODNGKQKFDTIE-LHLIQPBNSA-N 211.192 0.790 10 10 BCCE C[C@H]1CCN[C@H]1CNC(=O)Cc1ccc(N)cc1 1967151983 WDBOWAFPDNIWCN-GWCFXTLKSA-N 247.342 0.926 10 10 BCCE CONCc1nc(-c2ccc(O)c(O)c2)no1 1996520509 CFNNENQFOCVFJT-UHFFFAOYSA-N 237.215 0.799 10 10 BCCE Oc1cccc(F)c1CNCCc1nn[nH]n1 1997947827 SOJSFJNHPCWTCV-UHFFFAOYSA-N 237.238 0.377 10 10 BCCE CO[C@@H](CCO)CNCc1ccc(O)c(O)c1 2002971559 FUXCAXRLBNEHMQ-JTQLQIEISA-N 241.287 0.585 10 10 BCCE Nc1ccc(CN2CCO[C@H]3COC[C@H]32)cc1 2017555189 HQXARAQUMJKQJW-OLZOCXBDSA-N 234.299 0.868 10 10 BCCE Cc1cccc(CNC(=O)[C@@H](N)CCO)c1O 2024813208 UBRBFBNVEUUREI-JTQLQIEISA-N 238.287 0.027 10 10 BCCE CN[C@H](c1ccccc1O)[C@@H](O)c1cnnn1C 2031163478 YHGQDYMFXNEGDJ-NEPJUHHUSA-N 248.286 0.515 10 10 BCCE N[C@@]1(CO)CCCN(c2ccc3c(c2)CCO3)C1 2044320111 RCQMTFYCVVICBO-AWEZNQCLSA-N 248.326 0.912 10 10 BCCE O=C1CCN(c2ccc3c(c2)CC[C@H]3O)CCN1 2065071683 MCEILXISUGURMJ-CYBMUJFWSA-N 246.310 0.993 10 10 BCCE Nc1ccc(CN2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2078792270 KYMCDQKPFVSLHB-SCUASFONSA-N 248.326 0.585 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@H]1CC[C@H](C(=O)O)O1 2210528194 BIAVCCLBCIIDOQ-PHDIDXHHSA-N 228.208 0.045 10 10 BCCE N=c1nnc(OCc2ccccc2Cl)n[nH]1 2210654578 WKGNXFPKUGOADB-UHFFFAOYSA-N 237.650 0.912 10 10 BCCE Oc1ccccc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2212870174 ULRMRPJUYZFVEA-KGYLQXTDSA-N 237.299 0.756 10 10 BCCE Nc1ccc(NC(=O)N[C@@]23CNC[C@@H]2C3)cc1 2216784997 PGHIYUSDAIGYAL-UFBFGSQYSA-N 232.287 0.752 10 10 BCCE OC[C@@]1(O)CCCN(c2ccc3c(c2)CCO3)C1 2219578549 ARFXDXYZVUQCEL-CQSZACIVSA-N 249.310 0.945 10 10 BCCE NC[C@H](CF)NCCc1ccc(O)c(O)c1 2242811065 DJTWMZPEGYKRCJ-VIFPVBQESA-N 228.267 0.527 10 10 BCCE CO[C@@H](CO)CNCc1ccc(O)cc1O 2245978963 CQVYSIMCKIHULH-SNVBAGLBSA-N 227.260 0.195 10 10 BCCE CC(=CC(=O)NCCc1ccc(N)cc1)C(=O)O 2313962907 UGOKTUIBBOFOHX-UHFFFAOYSA-N 248.282 0.958 10 10 BCCE C[C@@H](O)CN(C)CCOc1ccc(N)cc1 51816942 PUTXCBAGFQWTKL-SNVBAGLBSA-N 224.304 0.960 10 10 BCCE NCc1ccc(N2CCNC(=O)CC2)c(F)c1 62099168 FDZLPUMCSCXAPC-UHFFFAOYSA-N 237.278 0.611 10 10 BCCE COc1cc(F)c(C(=O)C(=O)C(=O)O)cc1F 77395213 BIDRQHWMQSPDTG-UHFFFAOYSA-N 244.149 0.810 10 10 BCCE CN(CCN)c1ccc2c(c1)CC(=O)N2C 82597853 UYEWJDXCWOWOAI-UHFFFAOYSA-N 219.288 0.600 10 10 BCCE CN(CCCN)c1ccc2c(c1)CC(=O)N2 82597859 MVMSRFZSQLNMLL-UHFFFAOYSA-N 219.288 0.966 10 10 BCCE CN[C@@H](CO)CN(C)c1ccc(OC)cc1 82883272 XHLLWFCVXMNJJP-SNVBAGLBSA-N 224.304 0.712 10 10 BCCE O=C(O)c1cc(-c2ccc(O)c(O)c2O)n[nH]1 83189353 ZDBQCVAMZMQPNN-UHFFFAOYSA-N 236.183 0.892 10 10 BCCE Nc1ccc(CN2CCO[C@H](CO)C2)cc1 88091542 IBHVZRLQNGONHI-LBPRGKRZSA-N 222.288 0.462 10 10 BCCE CN1C[C@H](N)C[C@@H]1c1ccc(O)c(O)c1 108351502 HYKPPESKPTWWPE-RKDXNWHRSA-N 208.261 0.802 10 10 BCCE CC[C@@H](CCN)NC(=O)c1cccc(O)c1O 125944825 YWMMOXLXRBZCGP-QMMMGPOBSA-N 238.287 0.955 10 10 BCCE Nc1ccc(CNC(=O)c2cnc[nH]2)cc1 126435324 QOABVYDQPYBZRO-UHFFFAOYSA-N 216.244 0.922 10 10 BCCE COCOC[C@@H]1C[C@H](O)[C@@H](N=[N+]=[N-])CO1 135755308 KPXIUJPYEFVZMJ-FXQIFTODSA-N 217.225 0.436 10 10 BCCE N[C@@H](C(=O)O)c1c(O)c(F)cc2c1OCCO2 217483073 UTZKEJQCQFNVHZ-SSDOTTSWSA-N 243.190 0.387 10 10 BCCE Nc1ccc(N2CCC[C@@H]3C(=O)NC[C@@H]32)cc1 232277435 XMBOFUWXWPGBII-RYUDHWBXSA-N 231.299 0.984 10 10 BCCE C[C@](CN)(Cc1ccc(N)cc1)C(=O)O 235714282 MYBBQIIODDIFKN-LLVKDONJSA-N 208.261 0.861 10 10 BCCE CC1(C)O[C@@H]2C(=O)O[C@@H](CN=[N+]=[N-])[C@@H]2O1 238201549 SNEBIDARLBHUDV-ZLUOBGJFSA-N 213.193 0.742 10 10 BCCE CN[C@H](CO)c1cc(C(=O)O)ccc1O 238358974 ZEJFQEFLUBZXLX-MRVPVSSYSA-N 211.217 0.343 10 10 BCCE O=C1CC(=O)N(c2ccc(F)cc2F)N1 238575354 AZCCICKTUHVYNJ-UHFFFAOYSA-N 212.155 0.733 10 10 BCCE O=S(=O)(C[C@@H]1CCN1)Nc1ccc(O)cc1 257946249 LEQPBNQVIZBRIV-VIFPVBQESA-N 242.300 0.496 10 10 BCCE N[C@H](Cc1c(O)c(O)cc(Cl)c1F)C(=O)O 258284060 DSNKMYKLAPUMAU-RXMQYKEDSA-N 249.625 0.845 10 10 BCCE COC(=O)[C@@H](N)c1c(O)c(O)cc(O)c1Cl 260044428 FSVSHQQQIMJDKT-ZETCQYMHSA-N 247.634 0.630 10 10 BCCE CONC(=O)CSc1nccs1 379330777 YFJJXEWDEQYCRX-UHFFFAOYSA-N 204.276 0.913 10 10 BCCE OCC[C@H](CO)NCc1cccc(Cl)c1O 381832212 NZVWWFBYPXLKKU-SECBINFHSA-N 245.706 0.879 10 10 BCCE CCOC(=O)N[C@@H]1CC[C@H](N)C(=S)C1 514278314 XAKVRGKHYQCPKQ-RQJHMYQMSA-N 216.306 0.982 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CO[C@@H](C2CC2)C1 691358421 TZIKQFXARGELAY-SCZZXKLOSA-N 240.263 0.909 10 10 BCCE Oc1cccc(CN[C@H]2CCOC[C@H]2O)c1O 706766115 GNJKAQFQPOWPNS-GXSJLCMTSA-N 239.271 0.337 10 10 BCCE C[C@H](NC(=O)c1nnn(C)n1)c1ccccc1O 881440655 KIVVPISPKPBREC-ZETCQYMHSA-N 247.258 0.407 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CCC3)C[C@@H]1O 1145085596 COWPWMHXGDEJKU-OCCSQVGLSA-N 233.311 0.965 10 10 BCCE O=C(Cc1cc[nH]n1)NCc1cc(O)ccc1O 1455355932 FEBVWAJWTLMLSE-UHFFFAOYSA-N 247.254 0.680 10 10 BCCE [N-]=[N+]=NCCCNC(=O)C1CC(C(=O)O)C1 1900564260 FQOGSQXYEHLIDH-UHFFFAOYSA-N 226.236 0.914 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CSC(=O)N1 1900612713 MREAACZGKPWNPZ-ZCFIWIBFSA-N 243.292 0.970 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCN(C[C@@H]2CNC(=O)O2)C1 1912152348 RSPLZQVXLUQRHI-YUMQZZPRSA-N 225.252 0.727 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)N2CC[C@H](O)C2)C1 1912185390 PCQSMUGFLGTBAO-ZETCQYMHSA-N 211.225 0.168 10 10 BCCE COC[C@H](C)NC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912196917 NQLRLGOOJLIPDC-IUCAKERBSA-N 241.295 0.522 10 10 BCCE CO[C@@H](C(=O)CC(=O)C(C)=O)[C@@H]1CCOC1 1937727959 VYLSLSTXBHCFQZ-LDYMZIIASA-N 228.244 0.155 10 10 BCCE C[C@@H](NC(=O)N(C)c1ccc(N)cc1)C(=O)O 1950868105 WIIIKSMBIYSJAA-SSDOTTSWSA-N 237.259 0.888 10 10 BCCE COC(=O)[C@H](N)CCc1ccc(O)c(O)c1O 1951417729 GLYJJVDLEJWMSS-SSDOTTSWSA-N 241.243 0.236 10 10 BCCE Oc1ccc(CC[C@@]2(O)CCNC2)cc1O 1951474386 ABDLUFBTBYVJLA-GFCCVEGCSA-N 223.272 0.755 10 10 BCCE COc1cc([C@@](C)(O)[C@@H](C)N)cc(O)c1O 1952152641 OQUMDMWLAARRKS-KBUNVGBDSA-N 227.260 0.661 10 10 BCCE Cc1nnc2n1C[C@H](C(=O)NCCCN=[N+]=[N-])C2 1964884762 SAXUYJSLKDRQHM-MRVPVSSYSA-N 249.278 0.575 10 10 BCCE C[C@@H](CN)CNC(=O)Nc1ccc(N)cc1 1989299478 CGTUWRHLYKKILG-QMMMGPOBSA-N 222.292 0.985 10 10 BCCE CN1CCN[C@@H](COc2ccc(N)cc2)C1 1992472304 JDZJQWCYYBSBNT-LLVKDONJSA-N 221.304 0.551 10 10 BCCE Cc1ccc(CNC2(CO)COC2)c(O)c1 1994456660 OLCFWLZQYZTKCD-UHFFFAOYSA-N 223.272 0.552 10 10 BCCE Nc1ccc(CC(=O)N2C[C@H]3C[C@@]3(N)C2)cc1 2016982985 JXRWCRJREJAQPV-ZWNOBZJWSA-N 231.299 0.371 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@]2(CO)C1 2029638946 PIYZILDRYKGAAV-RNCFNFMXSA-N 249.266 0.552 10 10 BCCE N[C@]12CC[C@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 2034322496 NLIBLGFAPVCSGY-UFBFGSQYSA-N 249.270 0.056 10 10 BCCE CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(CO)cc1 2072211017 NHDIZLMQWWQFIB-KBPBESRZSA-N 246.310 0.988 10 10 BCCE C[C@H](O)c1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2308768241 DMELSYHZDYHLKR-KRZNOGTGSA-N 249.310 0.670 10 10 BCCE CN(C)S(=O)(=O)NCCCN=[N+]=[N-] 42013261 PWKXWJWEOWALCH-UHFFFAOYSA-N 207.259 0.083 10 10 BCCE NCc1ccc(N2CCS(=O)CC2)cc1 49691185 YIXBHZRDYJZMBI-UHFFFAOYSA-N 224.329 0.714 10 10 BCCE Cn1cnc(S(=O)(=O)NCCN=[N+]=[N-])c1 52096746 AKTOWCFNZWEEQO-UHFFFAOYSA-N 230.253 0.009 10 10 BCCE CC[C@H](N)C(=O)NCc1cccc(O)c1O 83353223 KXLKSYFGNJYKTC-QMMMGPOBSA-N 224.260 0.451 10 10 BCCE Nc1c(O)cc(S(=O)(=O)O)c2cn[nH]c12 89200649 OJDSUDZGKAOQET-UHFFFAOYSA-N 229.217 0.097 10 10 BCCE Oc1ccc(CN2C[C@H]3CNC[C@@H]3C2)c(O)c1 90320235 HTGGTPGDQXHGPU-GHMZBOCLSA-N 234.299 0.749 10 10 BCCE Cc1cccc(N2NC(=O)[C@@H](CCN)C2=O)c1 106639629 DDOLLTAFSIZJFL-SNVBAGLBSA-N 233.271 0.338 10 10 BCCE COC(=O)[C@@H](C(C)=O)[C@@H](CN=[N+]=[N-])OC 137692437 SHPNJJPMQBYWDB-RQJHMYQMSA-N 215.209 0.690 10 10 BCCE CN1C=NC2=C(C=C3NC=N[C@@H]3C2=S)C1 137934721 PTZDNIZPWNCOIT-VIFPVBQESA-N 218.285 0.482 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@@H]1CCCCS1(=O)=O 167892709 NTKGKJLWIBVONL-ZETCQYMHSA-N 246.292 0.380 10 10 BCCE CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(C)=O 200698958 ZDIWLKSQHLYAQF-JTQLQIEISA-N 237.255 0.734 10 10 BCCE CCC[C@H](N=[N+]=[N-])[C@@H](O)C(=O)N(C)C 225842646 CCVNNDRRAINEMK-NKWVEPMBSA-N 200.242 0.915 10 10 BCCE CC[C@H](CCN)NC(=O)c1ccc(O)c(O)c1 234018300 KXKQCTMHOYHUGV-SECBINFHSA-N 238.287 0.955 10 10 BCCE COC[C@H](O)CN[C@@H](C)c1c(O)cccc1O 234729262 YNJJZXLGTOWMLL-DTWKUNHWSA-N 241.287 0.756 10 10 BCCE O=C(NC[C@@H](O)C(F)F)c1cccc(O)c1O 236539718 ZLAIVMUBWNQTNK-SSDOTTSWSA-N 247.197 0.454 10 10 BCCE C[C@@](N)(C(=O)O)c1cc(F)c(F)cc1O 238412247 GZDQSZIFAVFSTE-VIFPVBQESA-N 217.171 0.929 10 10 BCCE N[C@@H](Cc1ccc(O)c(O)c1)[P@H](=O)O 238611932 AMFDRTYAWBCRBM-MRVPVSSYSA-N 217.161 0.392 10 10 BCCE Cn1ccc(-c2cncnc2O)cc1=O 315270409 DPHYGUGKEMZPOD-UHFFFAOYSA-N 203.201 0.548 10 10 BCCE N[C@]1(C(=O)O)CCOc2ccc(O)c(O)c21 380474951 KZURPGQICJTYNK-SNVBAGLBSA-N 225.200 0.119 10 10 BCCE Cc1ccc(O)c(CN[C@H]2CONC2=O)c1 393753721 UZROKFIBZSJNNS-VIFPVBQESA-N 222.244 0.220 10 10 BCCE CN(C(=O)/C=C/c1cnccn1)c1ccn(C)n1 492743911 YJKXCWGXJYLUCH-ONEGZZNKSA-N 243.270 0.886 10 10 BCCE C[C@H](N)c1ccc(N2CCN(C)C[C@@H]2CO)cc1 699468113 STKXIXHREGNNTG-SMDDNHRTSA-N 249.358 0.819 10 10 BCCE Cc1cccc(CNC[C@@H](O)[C@@H](C)O)c1O 717306586 IOWCDMPXLGCNCI-MWLCHTKSSA-N 225.288 0.532 10 10 BCCE CN/C=C1/C(=O)N=C2CCCCCN2C1=O 1616049245 WYYPGNIFGMLMOA-FPLPWBNLSA-N 221.260 0.431 10 10 BCCE O=C(Cc1ccc(O)c(O)c1)N1CC=C[C@@H]1CO 1633161918 SXKMYYTXTODPEQ-SNVBAGLBSA-N 249.266 0.400 10 10 BCCE OC[C@@H]1C[C@@H]1CNCc1ccc(O)cc1O 1895231426 ATUJKZWRVYFHOZ-ZJUUUORDSA-N 223.272 0.816 10 10 BCCE COC(=O)NC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1 1912188335 OMNHGWCJBSOWNK-ZETCQYMHSA-N 241.251 0.501 10 10 BCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCNC1 1912188469 OKRNXWWKLHNHPS-SCZZXKLOSA-N 240.311 0.130 10 10 BCCE CN(C(=O)N1CC[C@H](O)C1)c1ccc(N)cc1 1914074110 PJVHJKPIQZOWRO-NSHDSACASA-N 235.287 0.892 10 10 BCCE NCc1ccc(N2C[C@H](F)[C@H](O)C2)cc1 1929873598 BHVUXZNHLDQGAM-WDEREUQCSA-N 210.252 0.664 10 10 BCCE O=Cc1cnc(SC[C@H](O)CO)s1 1934294838 LXMNFNRQSSROEE-RXMQYKEDSA-N 219.287 0.401 10 10 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204.255 0.721 10 10 BCCE CN[C@H](CN)c1ccc2c(c1)CCN2C 50287352 ZBMQXACBNXHCDM-LLVKDONJSA-N 205.305 0.898 10 10 BCCE CCc1cc(OC)c(O)c([C@H](N)CO)c1 72198140 SPORKYDUTZRPSQ-SECBINFHSA-N 211.261 0.955 10 10 BCCE O=C(CN1C(=O)CSC1=S)N1CCCC1 82300718 QZMSGYOLWOYCTE-UHFFFAOYSA-N 244.341 0.469 10 10 BCCE CN(Cc1ccccc1O)C(=O)C1CNC1 84410265 GIVCLDHSDXRXFK-UHFFFAOYSA-N 220.272 0.570 10 10 BCCE [N-]=[N+]=NCCN1CCN2C(=O)NC[C@H]2C1 91755707 MSIOEWTVBNLWRG-ZETCQYMHSA-N 210.241 0.006 10 10 BCCE Cc1ccc(N)c(O)c1[C@@H]1COCCN1 95719075 WASDIQZRZBSTTG-VIFPVBQESA-N 208.261 0.944 10 10 BCCE C[C@@H](CO)N(C)C(=O)COc1ccc(N)cc1 122099511 SDGLMZZGYFWHOC-VIFPVBQESA-N 238.287 0.487 10 10 BCCE Cn1ncnc1NC(=O)COc1ccc(N)cc1 127002295 DFRNWIWXUANRTR-UHFFFAOYSA-N 247.258 0.415 10 10 BCCE [N-]=[N+]=N[C@H]1C(=O)N2C(C(=O)O)=CC=C[C@H]12 138274971 YAYHJIPVKZYQPF-INEUFUBQSA-N 206.161 0.414 10 10 BCCE O=C(O)Cc1nnc2c(F)cccc2n1 212355270 YWYQYTWEWHSRFX-UHFFFAOYSA-N 207.164 0.791 10 10 BCCE N[C@H](CC(=O)O)c1ccc(O)c(F)c1O 215757220 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CCNS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912200954 NQDIPJNGBYRYRD-LURJTMIESA-N 219.270 0.225 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CCC2(COC2)C1 1915359881 HZJHNVUWFTWMGG-UHFFFAOYSA-N 249.266 0.960 10 10 BCCE CNC(=O)[C@@H](C)N(C)c1ccc(OC)cc1N 1916816182 OICCIXJICPFRPM-MRVPVSSYSA-N 237.303 0.848 10 10 BCCE CC(=O)N1CC(NCc2cccc(F)c2O)C1 1926321440 JHJTZRZXHLIAHX-UHFFFAOYSA-N 238.262 0.852 10 10 BCCE CSC1([C@H](O)C(=O)C(C)=O)CCC1 1929229888 CWADUNXMXYDRCG-MRVPVSSYSA-N 202.275 0.791 10 10 BCCE CN(C[C@H]1CC(=O)N1)c1ccc(N)cc1 1929860823 ZKPFKHZSLRDNSH-SECBINFHSA-N 205.261 0.594 10 10 BCCE CNC1CN(C(=O)c2cccc(O)c2O)C1 1936506278 UQEIQOPTEGMHAG-UHFFFAOYSA-N 222.244 0.142 10 10 BCCE Oc1ccc(CCNC[C@H]2CCN2)cc1O 1937944462 BHWHYPSUTDUHKR-SNVBAGLBSA-N 222.288 0.592 10 10 BCCE O=C1CN[C@@H](c2cc(F)ccc2O)CN1 1951868546 AYKSDMJXMLADLL-MRVPVSSYSA-N 210.208 0.292 10 10 BCCE N[C@H](CC1(c2cccc(O)c2O)CC1)C(=O)O 1952115162 VFVAXZYNHPUVLF-MRVPVSSYSA-N 237.255 0.931 10 10 BCCE COc1cc([C@@H]2C[C@H](O)CO2)cc(O)c1O 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1951903587 WQVACEDFSCQLOO-XPUUQOCRSA-N 225.244 0.688 10 10 BCCE CN1CCc2cc([C@H]3CNCC(=O)N3C)ccc21 1952023029 BCLQJDVTQVGKJI-CYBMUJFWSA-N 245.326 0.782 10 10 BCCE COc1cccc(O)c1[C@@H]1NCC[C@@H]1O 1952056542 ZQXJOKWYMXYWMS-GZMMTYOYSA-N 209.245 0.796 10 10 BCCE Oc1ccc(C[C@H]2COCCN2)cc1O 1952302213 FIKMSUMLKVGXDX-VIFPVBQESA-N 209.245 0.629 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@H]1[C@H]2COC[C@H]21 1962301983 VOGSKHVBWIOKKV-RNLVFQAGSA-N 210.237 0.695 10 10 BCCE Nc1ccccc1N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 1982265999 QVCWBRWFGGOMCH-AKZRSSKFSA-N 238.312 0.724 10 10 BCCE Nc1ccc(NS(=O)(=O)c2nc[nH]n2)cc1 1984360678 AOYCIZRKWALLBI-UHFFFAOYSA-N 239.260 0.188 10 10 BCCE CN[C@@H](C)C(=O)NCc1cccc(C)c1O 1994451648 ODAHOPNPKHPSEM-VIFPVBQESA-N 222.288 0.925 10 10 BCCE NC[C@H](O)CCC(=O)NCc1ccccc1O 2001703011 FJEOOTLMCQYWNU-SNVBAGLBSA-N 238.287 0.108 10 10 BCCE N[C@H]1C[C@@H](O)CN(c2ccc3c(c2)CCO3)C1 2002709098 LMLCQXWQRTUZQD-CMPLNLGQSA-N 234.299 0.520 10 10 BCCE C[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCCCN1 2003168501 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10 10 BCCE CN1[C@H]2C[C@H]1C(=O)N(Cc1ccc(N)cc1)C2 250641779 UAOAKKGJKSQFGD-RYUDHWBXSA-N 231.299 0.684 10 10 BCCE CNC[C@H](O)c1cc(O)c(O)c(C)c1C 257976752 DNTYPUFCOCSCBZ-JTQLQIEISA-N 211.261 0.967 10 10 BCCE ONCc1cc2c(c(F)c1O)OCO2 258198371 SGFSHNWVXIVKNE-UHFFFAOYSA-N 201.153 0.739 10 10 BCCE CO[C@H]1C[C@H](CO)N(CCN=[N+]=[N-])C1 308589344 ULXFHEBJYXPVOJ-SFYZADRCSA-N 200.242 0.378 10 10 BCCE N[C@H](CCC(=O)O)c1c(O)cccc1CO 309242918 MGWUNLVHAGLVTC-MRVPVSSYSA-N 225.244 0.749 10 10 BCCE [N-]=[N+]=NC[C@H](O)[C@@H]1O[C@H]1[C@@H](O)CN=[N+]=[N-] 389484205 JXYNRBNUXNQJSV-BXKVDMCESA-N 214.185 0.096 10 10 BCCE COc1ccc(N(C)[C@@H]2CCN(C)C2=O)c(N)c1 690312152 NCCCZJBOQYUPDW-GFCCVEGCSA-N 249.314 0.944 10 10 BCCE NCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1F 698180679 LXWKWUQZARQPSO-GHMZBOCLSA-N 240.278 0.216 10 10 BCCE Nc1ccc(CCN2C[C@H](O)C[C@H]2CO)cc1 698208433 KRFOKQUOVNIDDC-QWHCGFSZSA-N 236.315 0.239 10 10 BCCE NC(=O)CCNCc1ccc(F)c(F)c1O 703306668 BXERGOOKNPZCHK-UHFFFAOYSA-N 230.214 0.635 10 10 BCCE CC(=O)C(=O)COC(=O)c1cccc2c[nH]nc12 808500148 GCQJJHRQAZNLNH-UHFFFAOYSA-N 246.222 0.878 10 10 BCCE CN(C)Cc1cc([C@@H](CN)CO)ccc1O 1535714125 QPLWWIPGNGRZBZ-NSHDSACASA-N 224.304 0.488 10 10 BCCE CN(C)Cc1cc(C[C@@H](N)C(=O)O)ccc1O 1535715987 OYJQDEQMQLCTED-SNVBAGLBSA-N 238.287 0.408 10 10 BCCE CN1C[C@@H]([N+](=O)[O-])[C@H](c2ccc(O)c(O)c2)C1 1614804636 BORLUQMIDMVWJQ-DTWKUNHWSA-N 238.243 0.772 10 10 BCCE C[C@H](c1ccccc1O)N(C)[C@@H]1CNC[C@H]1O 1909686621 XGOORVLRTSSLKU-IRUJWGPZSA-N 236.315 0.718 10 10 BCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])C1(OC)CC1 1912148389 SKPIDSHETHLMHG-QMMMGPOBSA-N 242.279 0.997 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN([C@H]2CCNC2=O)C1 1912181887 UJQQUTXKOMJHQK-BDAKNGLRSA-N 223.280 0.897 10 10 BCCE CN1CCN(CCCN2CC(N=[N+]=[N-])C2)CC1 1912182491 CCIXTWWOROOKEQ-UHFFFAOYSA-N 238.339 0.618 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCCN(C[C@H](O)CO)C1 1912199323 QVDDUFCOXVQMJX-UWVGGRQHSA-N 228.296 0.752 10 10 BCCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)[C@@H]1CCNC1 1912205234 NPMWZUYEPYGRCN-PSASIEDQSA-N 241.295 0.729 10 10 BCCE C[C@H]1[C@H](O)CCN1CC(=O)Nc1ccc(N)cc1 1914442080 NZGCUZUETWPTNE-JOYOIKCWSA-N 249.314 0.662 10 10 BCCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1 1915248981 PBWLPCTZPKUOQO-SECBINFHSA-N 249.314 0.003 10 10 BCCE NC(=O)[C@H]1CCN1c1ccc(CO)c(Cl)c1 1936591537 RWLCKQDZJFCZGC-SNVBAGLBSA-N 240.690 0.896 10 10 BCCE O=c1c2c(ccn1Cc1cncs1)CCNC2 1945575036 QRCVTGUWNQXCMU-UHFFFAOYSA-N 247.323 0.999 10 10 BCCE C[C@@](N)(C(=O)O)C1(c2ccc(O)c(O)c2)CC1 1951859675 JZZSMILLWWEOBH-LLVKDONJSA-N 237.255 0.931 10 10 BCCE COc1cc([C@@H]2C[C@H](N)CO2)cc(O)c1O 1952463657 OFOZPYQOVZTRJM-CBAPKCEASA-N 225.244 0.895 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cocn1 1979927944 YIBSPQWRUNAVKP-ZETCQYMHSA-N 224.224 0.491 10 10 BCCE COc1cccc(O)c1CNCCOCCO 1997941622 UFIYESNUXJECGM-UHFFFAOYSA-N 241.287 0.499 10 10 BCCE COC(=O)[C@H](NCCO)c1c(C)cccc1O 1997955409 ANYOJDSONYDOCM-LLVKDONJSA-N 239.271 0.497 10 10 BCCE Cc1cccc(O)c1CNN1CCN(C)CC1 1997965754 ZWWCHGKNHCRNLF-UHFFFAOYSA-N 235.331 0.953 10 10 BCCE CC[C@@H](O)CN(C)C(=O)c1ccc(O)c(O)c1 1999379865 KPJWXOTYHCXDJM-SECBINFHSA-N 239.271 0.941 10 10 BCCE N[C@H]1C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1999575168 PIKWVLGAHXLBOP-IUCAKERBSA-N 236.271 0.104 10 10 BCCE [N-]=[N+]=NCC1CCN(Cc2nc(=O)o[nH]2)CC1 2005374103 WGAGWIXWEDPLIP-UHFFFAOYSA-N 238.251 0.885 10 10 BCCE [N-]=[N+]=NCC1(CNC(=O)Cn2cnnc2)CC1 2006018766 OKLAHYWJMCDCMT-UHFFFAOYSA-N 235.251 0.485 10 10 BCCE CC1(C)C[C@H](O)[C@H](O)CN1c1ccc(N)cc1 2014961796 QQCPMHIEHTXWTQ-NWDGAFQWSA-N 236.315 0.979 10 10 BCCE OC[C@@H](O)C1(NCc2cccc(O)c2O)CC1 2015911977 CURWWZLEKSKVEF-SNVBAGLBSA-N 239.271 0.073 10 10 BCCE Cc1cccc(CNC(=O)[C@H]2C=CCN2)c1O 2024806281 XJRQJKAEUMDRCC-LLVKDONJSA-N 232.283 0.845 10 10 BCCE Cc1nnn(C)c1CNCc1ccc(O)c(O)c1 2034959928 VZRBQCCKZPYGLJ-UHFFFAOYSA-N 248.286 0.825 10 10 BCCE Nc1nc(O)nc(O)c1NCc1ccccc1O 2061904213 VNFDSAXUXXOFJE-UHFFFAOYSA-N 248.242 0.788 10 10 BCCE Cc1ccccc1N(C)C(=O)C1=C[C@@H](O)[C@H](N)C1 2067753604 FTQFASOMFIPQLN-DGCLKSJQSA-N 246.310 0.976 10 10 BCCE Cc1cccc(O)c1CN1CCN[C@@H]2COC[C@H]21 2068824652 AVGIKQRFTLPWAL-CHWSQXEVSA-N 248.326 0.873 10 10 BCCE CO[C@H](CO)CN[C@H](C)c1c(O)cccc1O 2208658542 LILFVVPEFSAYNX-BDAKNGLRSA-N 241.287 0.756 10 10 BCCE COc1cc(C)c(N2CC(O)(CO)C2)c(C)c1 2248924338 ALYQAJRVPDSMMR-UHFFFAOYSA-N 237.299 0.855 10 10 BCCE N[C@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 2312221574 DEEGMFJAFVSOAQ-JEZHCXPESA-N 248.282 0.517 10 10 BCCE Nc1ccc(CC(=O)N[C@@H](C(=O)O)C2CC2)cc1 54523770 KBYKCZVZVSLBQQ-GFCCVEGCSA-N 248.282 0.791 10 10 BCCE CN(Cc1ccccc1O)C(=O)c1n[nH]cc1N 62811661 VVBYCJBVFDZLQN-UHFFFAOYSA-N 246.270 0.970 10 10 BCCE O=S(=O)(O)CNCc1ccccc1O 83348922 NZWFSGCYMJIZJE-UHFFFAOYSA-N 217.246 0.327 10 10 BCCE COc1ccc(N2CCNC(=O)[C@@H](C)C2)cc1N 84576021 GWYPAWLNJYAHHI-VIFPVBQESA-N 249.314 0.850 10 10 BCCE NC(=O)OCCNCc1ccc2c(c1)CCO2 135190699 USNMJFWHQFITFP-UHFFFAOYSA-N 236.271 0.806 10 10 BCCE C[C@@H](N)CCN(C)C(=O)c1ccc(O)c(O)c1 235147953 KCFWDSJSMDPQPZ-MRVPVSSYSA-N 238.287 0.907 10 10 BCCE 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10 10 BCCE C[C@]1(C(=O)Nc2ccc(N)cc2)CNC(=O)C1 1968635361 IYPIHPNWSQXTBW-GFCCVEGCSA-N 233.271 0.734 10 10 BCCE COC[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 1977944825 JXZYMWNOPVVUJE-RYUDHWBXSA-N 224.304 0.760 10 10 BCCE O=C(N[C@H]1C[C@@H]1F)c1cc(O)c(O)c(O)c1 1988130266 ISTSBJUATJBDKI-WDSKDSINSA-N 227.191 0.644 10 10 BCCE Cc1ccc(O)c(CN[C@@H]2C[C@H](O)C[C@@H]2O)c1 2000835479 BQCZYSSWJGPNCU-LOWVWBTDSA-N 237.299 0.674 10 10 BCCE Nc1ccc(N2C[C@H](CO)OCC23CC3)cc1 2012210603 GGUHYRKSBULMSE-GFCCVEGCSA-N 234.299 0.999 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCOC[C@H]1F 2013770459 RUEOVKVCCUOQAO-VXNVDRBHSA-N 246.242 0.858 10 10 BCCE COc1ccc(N2CCNC[C@@H](O)C2)c(N)c1 2016934166 ZSRVJGFWWSXKGU-SECBINFHSA-N 237.303 0.048 10 10 BCCE Nc1ccc(NCCN2CCCNCC2)cc1 2016959337 PPMRHUVCAMCJIV-UHFFFAOYSA-N 234.347 0.976 10 10 BCCE C[C@@]12CC[C@@](C(N)=O)(C(=O)C1=O)[C@@]2(C)CF 2078859563 LFMINVCMDRLZRB-VWYCJHECSA-N 227.235 0.386 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 2210540310 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Cn1nncc1C(=O)Cc1ccc(N)cc1 129139269 IRFPRFUBCBSUFP-UHFFFAOYSA-N 216.244 0.823 10 10 BCCE NC(=O)OCCNCc1cccc(O)c1O 135181509 WBRQPNGKVSPNJG-UHFFFAOYSA-N 226.232 0.283 10 10 BCCE CN[C@@H](C)c1ccc2c(c1)CCN2CC(N)=O 162154622 WNGRCGDBWXIEJJ-VIFPVBQESA-N 233.315 0.815 10 10 BCCE Oc1c(F)cccc1CNCc1nnn[nH]1 165158966 VAMLOZFVPFAEKM-UHFFFAOYSA-N 223.211 0.334 10 10 BCCE O=C(NCCc1ncno1)c1ccc(O)c(O)c1 227038797 LNMINISHEJUSDP-UHFFFAOYSA-N 249.226 0.453 10 10 BCCE C[C@@H]1CC[C@H]([C@@H](NCCN=[N+]=[N-])C(=O)O)O1 227067684 BZYQYJKZBRQEPQ-BWZBUEFSSA-N 228.252 0.907 10 10 BCCE CCOC(=O)[C@H](C)OC(=O)CN=[N+]=[N-] 238798283 NRXRXOVAKUSHOF-YFKPBYRVSA-N 201.182 0.792 10 10 BCCE CCOC(=O)[C@@H](CN)c1cccc(O)c1O 259980262 CPVUHCFIIDMKOJ-QMMMGPOBSA-N 225.244 0.703 10 10 BCCE COc1ccc(N2CC[C@](O)(CO)C2)c(N)c1 313646845 GXDCILRTUKDRFL-GFCCVEGCSA-N 238.287 0.211 10 10 BCCE C[C@H](N[C@H]1COC[C@H]1O)c1ccc(O)cc1O 323643127 HDQFENXCPDEXIE-VIRWGQHYSA-N 239.271 0.508 10 10 BCCE CC[C@@H](Nc1c(N)cccc1C(N)=O)C(N)=O 379215727 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JUPMRXGVLZWWBY-SECBINFHSA-N 224.260 0.236 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CC[C@@H]2CCNC2=O)C1 1912144482 UBTXIDNHOLEJDI-DTWKUNHWSA-N 223.280 0.897 10 10 BCCE [N-]=[N+]=NCCN1C[C@@H](CO)[C@H](CCO)C1 1912177009 BKQIMEDLQSBKQG-BDAKNGLRSA-N 214.269 0.219 10 10 BCCE CS(=O)(=O)CCN1CC(N=[N+]=[N-])C1 1912190961 LOOCKNKYZQLZSV-UHFFFAOYSA-N 204.255 0.026 10 10 BCCE Cn1cc(CC(=O)N2CC(N=[N+]=[N-])C2)cn1 1912194515 LGFVFOBGYPOHHD-UHFFFAOYSA-N 220.236 0.484 10 10 BCCE C[C@@H](C(N)=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912196229 KCFRFZRBDBYBEN-YUMQZZPRSA-N 211.269 0.883 10 10 BCCE [N-]=[N+]=NCCN1C[C@H](O)C[C@@]2(CCCO2)C1 1912206818 IQPQHHDCAVANNX-ZJUUUORDSA-N 226.280 0.913 10 10 BCCE CN(CCc1ccc(N)cc1)S(C)(=O)=O 1913503680 FENZRXDEJRGVRF-UHFFFAOYSA-N 228.317 0.703 10 10 BCCE CC1(Nc2ccc(N)cc2)CS(=O)(=O)C1 1918408349 NUOPWZDSVKNMMR-UHFFFAOYSA-N 226.301 0.868 10 10 BCCE CC(=O)C(=O)[C@H](O)[C@H]1CCCSC1 1929194044 UPRDARHPZBJFEP-IONNQARKSA-N 202.275 0.649 10 10 BCCE NCc1ccc(N2CC[C@@H]2C(N)=O)cc1F 1936589332 HKGVHQGZNDGFPQ-SNVBAGLBSA-N 223.251 0.348 10 10 BCCE NCc1ccc(N2C[C@@H]3C[C@@]3(CO)C2)cc1 1937053551 MVRFTPQNZUHYIP-AAEUAGOBSA-N 218.300 0.964 10 10 BCCE Cc1cnn(C)c1[C@H](NN)c1ccccc1O 1945351192 WRFSPOQULHOKEA-LLVKDONJSA-N 232.287 0.987 10 10 BCCE O=C1CO[C@@H](c2ccc(O)c(O)c2)CN1 1951858667 GAODGOSBUNACHE-SECBINFHSA-N 209.201 0.285 10 10 BCCE O=C1C[C@H](c2c(O)cccc2[N+](=O)[O-])N1 1952515712 HRWYLHMKBUGMLX-RXMQYKEDSA-N 208.173 0.861 10 10 BCCE OCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1 1983548388 OSNYRIXKYKAJJZ-JQWIXIFHSA-N 225.263 0.946 10 10 BCCE [N-]=[N+]=NCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 1992850481 PUZRNQFMMPJEFM-OPRDCNLKSA-N 226.280 0.768 10 10 BCCE N[C@@H]1C[C@@]2(C(=O)NCc3ccccc3O)C[C@H]12 1998087381 FYTCMOYOXXFXSF-BREBYQMCSA-N 232.283 0.746 10 10 BCCE C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)c1ccccc1O 2017524107 ZQQROKVUDFSSSO-RNSXUZJQSA-N 238.287 0.278 10 10 BCCE Cc1cccc(O)c1Cn1[nH]cnc1=O 2070078616 AGECANKTYXJYPX-UHFFFAOYSA-N 205.217 0.634 10 10 BCCE Nc1ccc(CCC(=O)N2C[C@H]3C[C@]3(N)C2)cc1 2071705902 JEOAWGTYGCVMOE-RISCZKNCSA-N 245.326 0.761 10 10 BCCE C[C@@H](N)c1ccc(N(C)Cc2nnn(C)n2)cc1 2077193419 YFTNXPNMNZGLHO-SECBINFHSA-N 246.318 0.866 10 10 BCCE N[C@H](c1ccccc1O)[C@@]1(O)C[C@H]2CO[C@H]1C2 2249617941 FLCHMTTUCWAVKW-HWNAMQAFSA-N 235.283 0.932 10 10 BCCE N[C@H](CC(=O)O)c1ccc(O)c(O)c1O 2586155 BTCJPBIMVRYCLT-RXMQYKEDSA-N 213.189 0.278 10 10 BCCE CN1C(=O)NC(=O)/C(=C/c2ccc(O)cc2)C1=O 33849788 FJADJBHGWXKQIY-TWGQIWQCSA-N 246.222 0.484 10 10 BCCE CCOc1ccc(N2CCN[C@H](CO)C2)cc1 84534604 PQWYAQUSMCISAK-NSHDSACASA-N 236.315 0.856 10 10 BCCE CCN(C(=O)CN=[N+]=[N-])[C@@H]1CCS(=O)(=O)C1 104703033 DJQXXAUDRSWDOF-SSDOTTSWSA-N 246.292 0.332 10 10 BCCE O=C1CC(=O)N2CCc3cccc(O)c3[C@@H]12 107058262 KJJYXLUXRTUQKK-GFCCVEGCSA-N 217.224 0.791 10 10 BCCE CCNC(=O)[C@H]1COCCN1CCN=[N+]=[N-] 131285554 QHCLBUMLPVEQDC-MRVPVSSYSA-N 227.268 0.134 10 10 BCCE O=C1CC[C@H](NCc2cccc(F)c2O)CN1 158768758 DYRIJTBFIDLHIT-VIFPVBQESA-N 238.262 0.900 10 10 BCCE OC[C@@H](O)CNCc1cccc(Cl)c1O 165170155 YKRHHIHQSUDCPW-QMMMGPOBSA-N 231.679 0.488 10 10 BCCE COc1c([C@H](N)C(=O)O)ccc2c1CCN2C 216947237 AQODYLXGRYMMPG-JTQLQIEISA-N 236.271 0.772 10 10 BCCE COc1ccc(N(C)C[C@@H](O)CO)cc1C 258874308 GGBVOJFFIVAXRK-LLVKDONJSA-N 225.288 0.793 10 10 BCCE COc1cc(F)c(N(C)C[C@@H](N)CN)cc1F 258984838 MEBXIINTUVBIGP-ZETCQYMHSA-N 245.273 0.696 10 10 BCCE COC(=O)[C@@H](NO)c1ccc(O)c(O)c1 308758312 DGBLDMZZTFGNLM-QMMMGPOBSA-N 213.189 0.291 10 10 BCCE O=C1N[C@@H]2c3ccccc3[C@H](O)[C@H]2/C1=C/O 309047045 KBBPAZYEJVTQKR-JWUMCQLGSA-N 217.224 0.963 10 10 BCCE CC[C@@H](N)c1ccc(N(C)C(CO)CO)cc1 310367038 VURFOSPFXVFNGF-CYBMUJFWSA-N 238.331 0.886 10 10 BCCE CNCc1ccc(N2CC[C@@](O)(CO)C2)cc1 313677540 BVAJQCGQAXQLEV-ZDUSSCGKSA-N 236.315 0.340 10 10 BCCE CN1C[C@H](c2ccc(O)c(O)c2)[C@@H](CO)C1 394765415 AVQLCRRBWJVPDU-NXEZZACHSA-N 223.272 0.735 10 10 BCCE Cc1nc(NC(=O)COc2ccc(N)cc2)n[nH]1 701542404 RVRYWIUWCXULBE-UHFFFAOYSA-N 247.258 0.713 10 10 BCCE COCCOC1CN(CCN=[N+]=[N-])C1 707600357 FWOQIMUMKBHYKI-UHFFFAOYSA-N 200.242 0.644 10 10 BCCE Cn1nncc1NC(=O)c1cccc(O)c1O 1148212007 HSABDQGIEVJBPN-UHFFFAOYSA-N 234.215 0.479 10 10 BCCE CO[C@@](C)(CN)c1ccc(O)c(O)c1O 1535834564 XSPQQPOGCNKOGS-JTQLQIEISA-N 213.233 0.624 10 10 BCCE O=C(O)[C@@H]1C[C@@H]1c1ccc(O)c(O)c1O 1535892605 RXVJNUIJGMDGMX-PHDIDXHHSA-N 210.185 0.992 10 10 BCCE COc1cn(CCN=[N+]=[N-])c(=O)nc1O 1912147248 WSHLMHJUUAPFOH-UHFFFAOYSA-N 211.181 0.268 10 10 BCCE [N-]=[N+]=NCCCCN1CC[C@](O)(CO)C1 1912153102 DFTDVLYMAXRSLY-SECBINFHSA-N 214.269 0.506 10 10 BCCE CN(CCN=[N+]=[N-])[C@H]1CCCCNC1=O 1912156498 OVWFKCKQGGITAD-QMMMGPOBSA-N 211.269 0.897 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@H](O)CO)C1 1912166616 ZMYZVECCKAFWES-SFYZADRCSA-N 200.242 0.114 10 10 BCCE CNS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912196298 UIVUKUJQRXNBJY-QMMMGPOBSA-N 247.324 0.863 10 10 BCCE C[C@@H]1[C@@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 1914302873 IOQPRSHFVISGFF-MKCWBWRRSA-N 247.298 0.598 10 10 BCCE OC[C@@H]1COC[C@H]1NCc1ccccc1O 1937182956 RAOZTKCMVXHHSH-GHMZBOCLSA-N 223.272 0.489 10 10 BCCE OC[C@@H]1COC[C@H]1NCc1ccc(O)cc1O 1942683255 XZJSBQMBGMWQKF-MWLCHTKSSA-N 239.271 0.195 10 10 BCCE Cn1ccnc1[C@H](O)[C@@H](N)c1ccccc1O 1943689445 GELKAYNMMHKPGJ-WDEREUQCSA-N 233.271 0.859 10 10 BCCE NCc1ccc(N2C[C@H](O)[C@@H](F)C2)c(F)c1F 1944250509 FLSNKORNLOWDOG-CBAPKCEASA-N 246.232 0.943 10 10 BCCE CC(=O)C(=O)c1n[nH]cc1Br 1951587006 HFPFWLUMTMABEQ-UHFFFAOYSA-N 217.022 0.944 10 10 BCCE CO[C@@H](C(N)=S)c1ccc(O)c(O)c1O 1951966371 ZWIJKNMCXOAFLE-MRVPVSSYSA-N 229.257 0.777 10 10 BCCE Oc1cccc(CNC[C@H]2CC[C@H]2O)c1O 1994679961 QVCQLCNINJTMFM-PSASIEDQSA-N 223.272 0.958 10 10 BCCE COc1cccc(O)c1CN(OC)C1CNC1 2003444579 UXUHEVATNGFGGT-UHFFFAOYSA-N 238.287 0.736 10 10 BCCE C[C@H](N)[C@@H]1C[C@H]1C(=O)NCc1ccccc1O 2006362061 FBKQQPJQFJAWKR-INTQDDNPSA-N 234.299 0.992 10 10 BCCE O=C(N[C@H]1[C@H]2OCC[C@@H]21)c1cccc(O)c1O 2007576754 KXFPBFLMUGRDBH-CGYDSVCVSA-N 235.239 0.615 10 10 BCCE Nc1ccc(CNCc2cc(CO)n[nH]2)cc1 2007691608 NEYIPCXTSJIUKX-UHFFFAOYSA-N 232.287 0.774 10 10 BCCE C[C@@H](C(=O)NC(N)=O)N1CCC[C@H]1CN=[N+]=[N-] 2009442837 IWJRBZOZQFZFBI-BQBZGAKWSA-N 240.267 0.345 10 10 BCCE Nc1ccc(NC(=O)NC[C@H]2CCNC2)cc1 2016887595 MQDMHLVNBPEFSH-VIFPVBQESA-N 234.303 1.000 10 10 BCCE CC[C@@H](N)CNC(=O)COc1ccc(N)cc1 2016984112 FUSXHQDMZKSGFV-SECBINFHSA-N 237.303 0.501 10 10 BCCE Nc1ccc(CC(=O)N[C@H]2CCC[C@H]2N)cc1 2016991923 BZVXXUWOZJAWEZ-NEPJUHHUSA-N 233.315 0.807 10 10 BCCE CN(c1cnn(C)c1)c1ncnc2c1CNCC2 2051194302 DVTIKXTYUZVDGH-UHFFFAOYSA-N 244.302 0.624 10 10 BCCE Oc1cc2c(cc1CNC1[C@H]3COC[C@H]13)OCO2 2054279296 YLTNVKUUZRZHAV-IUCAKERBSA-N 249.266 0.855 10 10 BCCE Nc1cc2c(cc1N1CC=C[C@H]1CO)OCCO2 2056281016 LOLCBXWRGPMQQJ-VIFPVBQESA-N 248.282 0.777 10 10 BCCE COCC1(O)CN(c2ccc3c(c2)CC[C@@H]3N)C1 2065080554 KTTZCDZLXONMTK-ZDUSSCGKSA-N 248.326 0.830 10 10 BCCE NCC1(CNC(=O)COc2ccc(N)cc2)CC1 2071717502 HZPRGIFPOYHGQY-UHFFFAOYSA-N 249.314 0.503 10 10 BCCE NC(=O)c1nc(=NCc2ccccc2O)cc[nH]1 2072482050 OIHCHOPSJKQOHW-UHFFFAOYSA-N 244.254 0.315 10 10 BCCE O=c1c2c(ccn1C[C@]13C[C@H](CO1)C3)CCNC2 2073847831 IJDBJXNLQTWCLL-WJONMLJTSA-N 246.310 0.673 10 10 BCCE CN=c1[nH]c(OCc2ccc(N)cc2)ncc1N 2078200261 SJPFUZLJGZHZCI-UHFFFAOYSA-N 245.286 0.684 10 10 BCCE Nc1ccc(N2CCC(N3CC(N)C3)CC2)cc1 2218193437 HTRCQPTUMVSJFZ-UHFFFAOYSA-N 246.358 0.881 10 10 BCCE O=C1CCN(C(=O)NCc2ccccc2O)C1 2249119146 XBQBPGIKYCIYKH-UHFFFAOYSA-N 234.255 0.877 10 10 BCCE OC[C@H](O)[C@H]1CCN1c1ccc2c(c1)CCO2 2249541434 IPADHXIEXFAXNU-NEPJUHHUSA-N 235.283 0.553 10 10 BCCE CN(CC1(O)CNC1)c1ccc2c(c1)CCCO2 2259111637 INYDVWQRUHTQKG-UHFFFAOYSA-N 248.326 0.782 10 10 BCCE CC1(C)O[C@@H]2[C@H](CN=[N+]=[N-])O[C@](C)(O)[C@@H]2O1 34875187 ITMTWRNHTCDZNL-SZACMFPPSA-N 229.236 0.924 10 10 BCCE [N-]=[N+]=CC(=O)Cn1c(=O)sc2ccccc21 39125120 OSFIQXVCYSTBQM-UHFFFAOYSA-N 233.252 0.933 10 10 BCCE CCOc1cccc(CNCc2nnn[nH]2)c1O 44927649 BMXRQFITRVSJPZ-UHFFFAOYSA-N 249.274 0.594 10 10 BCCE CN(C)c1ccc([C@H](CN)NCCO)cc1 83758249 VDJCKGBNITVCMV-LBPRGKRZSA-N 223.320 0.334 10 10 BCCE NCc1ccc(N2CCN(C=O)CC2)cc1 84011707 NNLQZEXACKOOTB-UHFFFAOYSA-N 219.288 0.424 10 10 BCCE C[C@H](NC[C@@](C)(O)CO)c1ccc(O)cc1O 90285887 FOGLKXRJURITAO-QPUJVOFHSA-N 241.287 0.492 10 10 BCCE N[C@@H](CCCO)c1ccc2c(c1O)OCO2 95770254 NRMBKLVTEDOOFY-QMMMGPOBSA-N 225.244 0.893 10 10 BCCE C[C@H](NC(C)(CO)CO)c1ccccc1O 129045280 PKVZTBSPFQERNF-VIFPVBQESA-N 225.288 0.786 10 10 BCCE COc1ccc(N2CCCNC[C@@H]2CO)cc1 211679410 QNKIANXYGMDNLK-GFCCVEGCSA-N 236.315 0.856 10 10 BCCE Nc1ccc(F)c([C@@H](N)C(=O)O)c1O 220805149 JAUIPOVTKICDPB-ZCFIWIBFSA-N 200.169 0.198 10 10 BCCE COC(=O)[C@@H](N)Cc1ccc(Cl)c(O)c1O 223544407 XHBZHSBLYIWWHV-ZETCQYMHSA-N 245.662 0.794 10 10 BCCE CS(=O)(=O)NCCCNc1ccc(N)cc1 230982347 DOJQWMDZGDFVIQ-UHFFFAOYSA-N 243.332 0.620 10 10 BCCE Nc1cc(=O)[nH]c(-c2ccc(O)c(O)c2)n1 236377813 UIUQCLGVHKVNTK-UHFFFAOYSA-N 219.200 0.430 10 10 BCCE C[C@](N)(CC(=O)O)c1cc(O)nc(O)c1 238495518 QQGORURMWQGWFM-VIFPVBQESA-N 212.205 0.141 10 10 BCCE COc1cc(OC)c(O)c([C@@H](N)CCO)c1 309401722 SYTJABPANVWDSA-VIFPVBQESA-N 227.260 0.792 10 10 BCCE C[C@H](NC(=O)c1cccc(O)c1O)C1CNC1 686258580 BYFHDEHPLOIZMB-ZETCQYMHSA-N 236.271 0.436 10 10 BCCE COC1(C(=O)NCCN=[N+]=[N-])CCOCC1 692000534 REWBYHFNCSGKCJ-UHFFFAOYSA-N 228.252 0.609 10 10 BCCE N[C@H]1CC(=O)c2c([N+](=O)[O-])ccc(O)c21 713758366 FOTNDQRAQTYNTL-BYPYZUCNSA-N 208.173 0.887 10 10 BCCE [N-]=[N+]=NCCOCCNC(=O)CCC(=O)O 714060054 OCZSUOVPGIAPHF-UHFFFAOYSA-N 230.224 0.294 10 10 BCCE C[C@@H](O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 719896395 IIAQLNOXXCRLQW-JMCQJSRRSA-N 248.282 0.489 10 10 BCCE Cc1cc(N(C)C)ccc1CNC(=O)CC(N)=O 746273185 UQEUCIZBGHEYDM-UHFFFAOYSA-N 249.314 0.553 10 10 BCCE O=C(c1cc(O)cs1)N1C[C@@H]2C[C@]2(O)C1 882341141 SQGGJGPSYAFESI-WKEGUHRASA-N 225.269 0.661 10 10 BCCE C[C@@]1(NC(=O)Cc2ccc(N)cc2)CCNC1=O 1341395649 VTHBBBDSVGCFDR-CYBMUJFWSA-N 247.298 0.206 10 10 BCCE Oc1cc(F)ccc1CN[C@@H]1COC[C@H]1O 1897944061 XILGWRYXFQLANX-MWLCHTKSSA-N 227.235 0.381 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)C(C)(C)S(C)(=O)=O 1912161955 PMWKQPKTIYTHJT-UHFFFAOYSA-N 248.308 0.578 10 10 BCCE 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[N-]=[N+]=N[C@@H]1CCN(C[C@H]2CCS(=O)(=O)N2)C1 1912143272 CTKZOIFXAWOKQB-HTQZYQBOSA-N 245.308 0.063 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@H]2CC(=O)N[C@H]2C1 1912151895 MQIVGTZGUTXCIL-BDAKNGLRSA-N 223.280 0.897 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@@H]2COC[C@@H]21 1912181000 JASZTZUSJGMCHM-BKPPORCPSA-N 226.236 0.376 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)C23CCN(CC2)C3)C1 1912183538 QJUHIBSFVXMQSA-UHFFFAOYSA-N 221.264 0.603 10 10 BCCE CC(=O)C(=O)[C@@]1(O)CCOC12CCCC2 1929235652 AFAHMQDIPTWHGW-NSHDSACASA-N 212.245 0.609 10 10 BCCE Cn1cc(C[C@H](NN)c2ccccc2O)cn1 1942401699 WDIXGIFCYJHWHI-NSHDSACASA-N 232.287 0.873 10 10 BCCE Cn1cc(CCNCc2ccc(N)cc2)nn1 1944065260 YKRUKACSSHLRPL-UHFFFAOYSA-N 231.303 0.730 10 10 BCCE Nc1ccc(CC(=O)N[C@@H](CO)C2CC2)cc1 1945372765 UNJVCKSTVJYKMP-LBPRGKRZSA-N 234.299 0.698 10 10 BCCE CC(C)(C(=O)O)[C@H](O)c1cc(O)nc(O)c1 1952464072 USAYFTAXCHTPDW-MRVPVSSYSA-N 227.216 0.637 10 10 BCCE O=C1CCCN[C@H]1c1ccc(O)c(O)c1O 1952530996 PFEGOGRAWMZLTQ-VIFPVBQESA-N 223.228 0.797 10 10 BCCE 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10 10 BCCE Oc1ccc2c(c1O)CCN[C@H]2C1CNC1 75793814 ICCNAEYOTDUSEE-NSHDSACASA-N 220.272 0.504 10 10 BCCE CNCc1nnc([C@@H](N)c2ccc(C)cc2O)o1 83378511 RKWJDRLXFIBLGP-NSHDSACASA-N 248.286 0.851 10 10 BCCE C[C@H]1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 85224362 CLVVJGMBKFBQOF-CBAPKCEASA-N 211.269 0.930 10 10 BCCE C[C@@H](NC[C@@H](O)CO)c1ccccc1O 85246042 YYKTVORTIFKDIU-RKDXNWHRSA-N 211.261 0.396 10 10 BCCE N[C@@H](CCO)c1c(F)ccc(C(=O)O)c1O 95713968 YXOCXHMOMVFIQB-ZETCQYMHSA-N 229.207 0.612 10 10 BCCE CN(C)[C@@H]1CCN(c2ccc(N)cc2)C1=O 116999593 DHGKSEFBSQYDTJ-LLVKDONJSA-N 219.288 0.936 10 10 BCCE Cn1cc[n+](Cc2cc(N)ccc2O)c1 142797384 IZQFAWIPZMBQDC-UHFFFAOYSA-O 204.253 0.649 10 10 BCCE Cc1cccc(CNN2CCN(C)CC2)c1O 158834857 RLMXUBIYGLWSJH-UHFFFAOYSA-N 235.331 0.953 10 10 BCCE CC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])C1 160349595 FNAUQRJXASSQMP-SECBINFHSA-N 211.269 0.897 10 10 BCCE Nc1ccc(OCCN2CC[C@H](CO)C2)cc1 161582145 MQLSASRDRRDPCG-NSHDSACASA-N 236.315 0.962 10 10 BCCE CC(C)[C@H](CO)NC(=O)c1ccc(O)c(O)c1 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10 10 BCCE Nc1ccc(O)c(CN2CCN3CC[C@H]2C3)c1 381680567 JQLMGUNTPWMEKK-LBPRGKRZSA-N 233.315 0.864 10 10 BCCE CN(C)c1ccc(CNC(=O)[C@@H]2CCN2)cc1 384827245 XOAUWKNYFJXHCL-LBPRGKRZSA-N 233.315 0.731 10 10 BCCE COC(=O)[C@@H](NC(=N)N)c1ccccc1O 396470293 BHADZDHBFQZGRC-QMMMGPOBSA-N 223.232 0.089 10 10 BCCE Oc1cc(O)c([C@@]2(O)CCCNC2)cc1O 687747821 MKHLDEAYUXPVQO-LLVKDONJSA-N 225.244 0.374 10 10 BCCE C[C@H](N[C@@H](C)[C@@H](O)CO)c1ccc(F)cc1O 699002681 BFKOILOBEDOPQH-UBJUHAIHSA-N 243.278 0.924 10 10 BCCE CN(Cc1ncno1)C(=O)c1cccc(O)c1O 706381347 ARWNBYFQDBBUNS-UHFFFAOYSA-N 249.226 0.753 10 10 BCCE CC(=O)C(=O)COC(=O)[C@]1(C)CCOC1 808537060 QQBOHNDFDDYKCE-SNVBAGLBSA-N 214.217 0.114 10 10 BCCE Cc1nc(N)nc(N2Cc3cccc(O)c3C2)n1 866117130 GOJIWLDJQBKEEY-UHFFFAOYSA-N 243.270 0.988 10 10 BCCE CC(C)(CO)NC(=O)Cc1ccc(O)c(O)c1 1637874189 SHDJYKLJOGAINL-UHFFFAOYSA-N 239.271 0.527 10 10 BCCE CS(=O)(=O)NC(=O)Oc1ccc(N)cc1 1858614105 ZTARZZHSFYLQDP-UHFFFAOYSA-N 230.245 0.317 10 10 BCCE [N-]=[N+]=NCCCCN1CCOC[C@@H](O)C1 1912144784 AOEZZRLJEMHZPK-VIFPVBQESA-N 214.269 0.770 10 10 BCCE [N-]=[N+]=NCCCCNC(=O)[C@H]1CCS1(=O)=O 1912158807 ZIYKCMXAUQREDW-SSDOTTSWSA-N 246.292 0.380 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CNC(=O)C1 1912190935 LJDMYELFNSDGHJ-ZETCQYMHSA-N 225.252 0.281 10 10 BCCE C[C@H]1[C@@H](O)CCN1CC(=O)Nc1ccc(N)cc1 1914442079 NZGCUZUETWPTNE-CABZTGNLSA-N 249.314 0.662 10 10 BCCE OC[C@@H](O)CNCc1ccc(Cl)cc1O 1928566634 WWEOSGMRMDXARX-VIFPVBQESA-N 231.679 0.488 10 10 BCCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@@H](N2)[C@H]1C 1929242606 JAQPBCNPWXQTRO-PNHWDRBUSA-N 211.261 0.036 10 10 BCCE OCc1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 1937461094 OBHWHRIDHOITKQ-ITGUQSILSA-N 219.284 0.853 10 10 BCCE Nc1ccc(N2C[C@@H](CCO)[C@@H](CO)C2)cc1 1944870846 JMNSFGRACDEXSA-GHMZBOCLSA-N 236.315 0.696 10 10 BCCE COc1cccc(O)c1[C@@H]1NCCN(C)C1=O 1951856606 QVIGZMUFTPBORY-NSHDSACASA-N 236.271 0.504 10 10 BCCE O=[N+]([O-])c1cccc([C@@H]2NCC[C@H]2O)c1O 1952066116 LEGPDJDUXAIUBH-BDAKNGLRSA-N 224.216 0.696 10 10 BCCE 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CN(CC(=O)N1CCC1)Cc1ccc(N)cc1 1942111346 QYMYOKAABLRFOB-UHFFFAOYSA-N 233.315 0.933 10 10 BCCE Oc1cc2c(cc1CNC[C@H](O)CF)OCO2 1945100200 PRGCYBNVKDRTME-MRVPVSSYSA-N 243.234 0.541 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@H]1C[C@@]12CCOC2 1950667598 GOAMXGLXLXAEQB-KHQFGBGNSA-N 239.279 0.167 10 10 BCCE Cc1nc2n(n1)CCN(CCN=[N+]=[N-])C2 1961282636 CVURVHBEVZCCBG-UHFFFAOYSA-N 207.241 0.712 10 10 BCCE Cc1cccc(O)c1[C@@H](C(=O)O)N(C)C=O 1976874459 WOSKPOYMWPMMOS-JTQLQIEISA-N 223.228 0.915 10 10 BCCE COc1ccc(N(C)C[C@@H](O)CN)c(F)c1 1977752872 GFEFYBOIEDMICV-QMMMGPOBSA-N 228.267 0.590 10 10 BCCE C[C@](O)(CCO)CNCc1ccccc1O 1978269463 JHJBLNYGEYEQTJ-LBPRGKRZSA-N 225.288 0.615 10 10 BCCE COc1ccc(N2CCN[C@H]3C[C@@H]32)c(N)c1 1989324476 KUNQMWAYIFARBA-JQWIXIFHSA-N 219.288 0.828 10 10 BCCE Cc1cccc(O)c1CN1C[C@@H](O)C[C@@H](N)C1 2002712833 SWMMSQSMCYTGEI-MNOVXSKESA-N 236.315 0.595 10 10 BCCE CN1C(=O)N[C@@H]2CN(CCCN=[N+]=[N-])CC[C@@H]21 2004319081 ADRXKZSZYITXTQ-BDAKNGLRSA-N 238.295 0.785 10 10 BCCE C[C@@]1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CNC(=O)C1 2004788847 PZLPCOMHGXTUMZ-XCBNKYQSSA-N 237.263 0.424 10 10 BCCE N=c1[nH]ccc(=NCCc2ccc(O)c(O)c2)[nH]1 2031079100 ORLWVNZZZRQADC-UHFFFAOYSA-N 246.270 0.377 10 10 BCCE CCN1CCc2cc(N3CC(O)(CN)C3)ccc21 2044707351 CIICGZGWDAVUFP-UHFFFAOYSA-N 247.342 0.579 10 10 BCCE CN1CCc2cc(C3(O)COCCOC3)ccc21 2044711626 UVZNTQPFLTWCPH-UHFFFAOYSA-N 249.310 0.913 10 10 BCCE O=C(N[C@@H]1CCN[C@H]2C[C@@H]21)c1cccc(O)c1O 2057591196 JKLCVVGGDWYRRD-BBBLOLIVSA-N 248.282 0.578 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2CCN[C@@H]3C[C@H]32)cc1 2071710011 WHXMOYHEZYYNGN-YNEHKIRRSA-N 245.326 0.678 10 10 BCCE Nc1ccc(NC(=O)N[C@@]23CNC[C@@H]2C3)cc1 2216778194 PGHIYUSDAIGYAL-UFBFGSQYSA-N 232.287 0.752 10 10 BCCE Nc1ccc(CCC(=O)N[C@@]23CNC[C@H]2C3)cc1 2222968374 UBQQLSKHFAXOEH-RISCZKNCSA-N 245.326 0.680 10 10 BCCE CC(CO)(CO)C(=O)NCCCCN=[N+]=[N-] 2242668454 ILSGGBJCCLQATA-UHFFFAOYSA-N 230.268 0.184 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H](O)[C@H]2C1 2312222537 ZLOKAUGTYWDMAM-HDBBIHSSSA-N 249.266 0.551 10 10 BCCE CCn1nnc(-c2ccc(O)c(O)c2)n1 20120449 OSQCVHXQVUIOBR-UHFFFAOYSA-N 206.205 0.771 10 10 BCCE COCCN1CCN(c2ccc(CN)cc2)CC1 20266018 PBZBSCRJGYBAHU-UHFFFAOYSA-N 249.358 0.914 10 10 BCCE CCOC(=O)c1nnn(-c2ccc(N)cc2)c1N 33414059 KHTJRXZPCYYXAV-UHFFFAOYSA-N 247.258 0.608 10 10 BCCE C[C@H](N[C@@H](C)c1cc(O)ccc1O)C(N)=O 35793402 GLYPKPDOQOZZFF-BQBZGAKWSA-N 224.260 0.622 10 10 BCCE Nc1ccc(NC(=O)CN2CCC[C@@H]2CO)cc1 42432679 XUQALZLVSGQKBP-GFCCVEGCSA-N 249.314 0.664 10 10 BCCE Nc1ccc(N(CCCO)CCCO)cc1 60141374 BJFUOQBCMWYREQ-UHFFFAOYSA-N 224.304 0.840 10 10 BCCE COc1c(C)c(C)cc([C@@H](N)CN)c1O 72200778 QDKOOGQADXOTQG-VIFPVBQESA-N 210.277 0.976 10 10 BCCE COc1ccc([C@H](C)NC(CO)CO)c(O)c1 87751256 VQFOKAYYGBTGRO-QMMMGPOBSA-N 241.287 0.405 10 10 BCCE COc1ccc(CNC[C@](C)(O)CO)c(O)c1 90284525 FHYLFJBMCILJFH-LBPRGKRZSA-N 241.287 0.234 10 10 BCCE Oc1ccc(CN2C[C@@H]3CNC[C@H]3C2)c(O)c1 90320236 HTGGTPGDQXHGPU-QWRGUYRKSA-N 234.299 0.749 10 10 BCCE COC(=O)[C@@](C)(N)c1cc(F)ccc1O 95747754 PHBUXRFFYVEZET-JTQLQIEISA-N 213.208 0.878 10 10 BCCE O=C1CC[C@@H](NCc2ccc(O)c(O)c2)CN1 104339524 DLCQUXBRZTWLCQ-SECBINFHSA-N 236.271 0.466 10 10 BCCE Cn1nccc1CNC(=O)c1cccc(O)c1O 126409137 BUCQAGLCBVXEAG-UHFFFAOYSA-N 247.254 0.761 10 10 BCCE Nc1ccc(OCC(=O)NCc2ccon2)cc1 148588440 FOSNFEUBTXPRQE-UHFFFAOYSA-N 247.254 0.952 10 10 BCCE Cc1cc(O)c(O)cc1SC[C@H](N)C(=O)O 221590381 DYJFTVKGBXMHBU-LURJTMIESA-N 243.284 0.910 10 10 BCCE O=C1NC(=S)S/C1=C/c1cn[nH]c1 226263189 FMVCYIKSCMSUQW-ORCRQEGFSA-N 211.271 0.899 10 10 BCCE COc1ccc2c(c1)C[C@@H]([C@@H](O)CN)N2C 250379610 LRGMYRJMKDJOHB-RYUDHWBXSA-N 222.288 0.376 10 10 BCCE CO[C@@H]1O[C@@H]2C[S@](=O)[C@@H]2[C@H]1N=[N+]=[N-] 307671703 UQRMIUWLKIHZIT-YQCGIBGTSA-N 203.223 0.168 10 10 BCCE CCO[C@@H]1O[C@@H](CO)C(=O)C[C@H]1N=[N+]=[N-] 308675411 CVJVTMHPQWCSPW-MHSYXAOVSA-N 215.209 0.378 10 10 BCCE COc1cccc(CN[C@@H]2COC[C@H]2O)c1O 323365207 CTQUCFSSSLLIBF-NXEZZACHSA-N 239.271 0.250 10 10 BCCE N[C@H](CCCCO)c1ccc(O)c(O)c1O 380650585 PSIZGTNMHRDXEE-MRVPVSSYSA-N 227.260 0.966 10 10 BCCE CN1CC(NCc2cccc(O)c2O)C1 382259473 KUEBUCGSKSWTIC-UHFFFAOYSA-N 208.261 0.501 10 10 BCCE COc1ccc(N2C[C@@H](O)[C@H](OC)C2)c(N)c1 395917107 GFNSWZCDYXKMKU-VXGBXAGGSA-N 238.287 0.473 10 10 BCCE C[C@@H](Sc1nccs1)[C@@H](O)CN 699212700 FECUECDTTPGAAM-RITPCOANSA-N 204.320 0.943 10 10 BCCE C[C@@H]1COC[C@]1(NCCCN=[N+]=[N-])C(=O)O 699558421 UKSYOMMKBKAPOF-VXNVDRBHSA-N 228.252 0.766 10 10 BCCE C[C@](O)(CO)[C@@H](N)c1cccc(F)c1O 713744439 UAMNHUOUNVUWBE-UWVGGRQHSA-N 215.224 0.274 10 10 BCCE N[C@H]1CC(=O)c2ccc([N+](=O)[O-])c(O)c21 713752102 AOMQCYASJUTDGH-YFKPBYRVSA-N 208.173 0.887 10 10 BCCE Oc1ccc(CNCC2OCCCO2)cc1O 716418362 ZVBNUCAVCWIUIL-UHFFFAOYSA-N 239.271 0.950 10 10 BCCE COc1ccc(CNC[C@H](O)[C@@H](C)O)c(O)c1 717392352 FAVRGXQYKMQBTF-PELKAZGASA-N 241.287 0.232 10 10 BCCE C[C@@H](N)c1ccc(N2CC(C(N)=O)C2)cc1O 723159991 NRLYQILRFNAECS-SSDOTTSWSA-N 235.287 0.333 10 10 BCCE COC[C@H](C)CC(=O)OCC(=O)C(C)=O 808526989 WFZFWAFCIRZUFI-SSDOTTSWSA-N 216.233 0.360 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1912173602 OKJJVAZYNCCFJO-BDAKNGLRSA-N 240.263 0.561 10 10 BCCE COC[C@@H]1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 1912182999 JVQPTCQEZHPLNP-SCZZXKLOSA-N 241.295 0.557 10 10 BCCE CN1C(=O)C[C@@H](N(C)CCCN=[N+]=[N-])C1=O 1912199262 QDRTWOPGBVSJMB-SSDOTTSWSA-N 225.252 0.376 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H]2CS(=O)(=O)C[C@H]2C1 1912205553 GGYKJGISXZZZRQ-DTORHVGOSA-N 244.320 0.663 10 10 BCCE Cc1cc(N2CC(CO)C2)ccc1CN 1929741045 AGIVQPIZKKOJRD-UHFFFAOYSA-N 206.289 0.882 10 10 BCCE Nc1ccc(CCCN2C[C@@H](O)CO2)cc1 1937401539 OBZCSURFDGQYPY-GFCCVEGCSA-N 222.288 0.810 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccncc1F 1951197283 JAAGDQVCQKKEDO-MRVPVSSYSA-N 238.226 0.647 10 10 BCCE Oc1ccc([C@@H]2C[C@@H](O)CN2)c(O)c1O 1952156874 DGSNUSADUFMWDA-VDTYLAMSSA-N 211.217 0.199 10 10 BCCE CN1C[C@@H](N)C[C@@H]1c1cc(O)ccc1O 1952307561 BAURSUPKPYRYEM-OIBJUYFYSA-N 208.261 0.802 10 10 BCCE CC(=O)C(=O)[C@H](O)C1([C@@H]2CCCO2)CC1 1960028013 DIRLNHNLBQAHBM-WPRPVWTQSA-N 212.245 0.465 10 10 BCCE CC[C@@H](O)CN(C)C(=O)c1cccc(O)c1O 1971161458 REFCNFLIQVNTCZ-MRVPVSSYSA-N 239.271 0.941 10 10 BCCE N[C@@H]1C=C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980378495 VKSULNLLIZACEI-ZYUZMQFOSA-N 222.288 0.155 10 10 BCCE [N-]=[N+]=NCCCN1CCO[C@@H]2C[C@@H](O)C[C@@H]21 1986780359 GBNQYIDDGFYOSL-LPEHRKFASA-N 226.280 0.911 10 10 BCCE N[C@H]1[C@H]2C[C@H]1N(c1ccc3c(c1)OCCO3)C2 1999210597 YLEFDGKEQRVAMQ-PLMOITTCSA-N 232.283 0.994 10 10 BCCE C[C@]12CNC[C@@]1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2 2003169260 ZLSSSMJLDHSNMV-WTTBSCSTSA-N 236.315 0.252 10 10 BCCE Nc1ccc(CCOC[C@@H]2CCNC2=O)cc1 2012926626 ALUMHSYYUJDVTR-NSHDSACASA-N 234.299 0.964 10 10 BCCE CNC(=O)OC1CN(CCc2ccc(N)cc2)C1 2030283164 MHCRPQNQILAUDC-UHFFFAOYSA-N 249.314 0.852 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3CC(CCO)C3)ccc21 2034861644 QPRKQRGKMRHRJZ-LBPRGKRZSA-N 247.298 0.457 10 10 BCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@@H]3C)c2n1 2064776804 QFYRNFBKBJXMEJ-RCOVLWMOSA-N 246.270 0.882 10 10 BCCE Nc1ccc(O[C@H]2CCC(=O)NC2=O)cc1 2080420380 KXSJUNXLQYALHL-VIFPVBQESA-N 220.228 0.453 10 10 BCCE Nc1ccc(CC(=O)N[C@]23CNC[C@H]2C3)cc1 2216758419 VZAFUUAAONRNHT-ZWNOBZJWSA-N 231.299 0.289 10 10 BCCE Nc1ccc(N2C[C@H]3OCC[C@@]3(CO)C2)cc1 2253337536 BKYXILUNDBVZQT-OLZOCXBDSA-N 234.299 0.856 10 10 BCCE Oc1cccc2c1[C@@H](N[C@@H]1C[C@H](O)C[C@H]1O)CC2 2296860924 RSHAFWNAPHNTEC-MEWQQHAOSA-N 249.310 0.853 10 10 BCCE NC1CC(N2CCc3cc(O)c(O)cc3C2)C1 2302411878 BUVXWRTXTRQCQY-UHFFFAOYSA-N 234.299 0.946 10 10 BCCE Nc1ccc(CC(=O)NC[C@@H]2[C@H]3CN[C@@H]2C3)cc1 2311872162 XLQGCEHAROURAU-RAIGVLPGSA-N 245.326 0.535 10 10 BCCE O=C1OCc2c1cc(O)c(O)c2[N+](=O)[O-] 34845520 FFTFTTXNKSWTHX-UHFFFAOYSA-N 211.129 0.676 10 10 BCCE CC(C)S(=O)(=O)NCc1cc(N)ccc1O 37657275 QYNBZTGLZMIBNU-UHFFFAOYSA-N 244.316 0.802 10 10 BCCE CC(C)(NCc1ccc(O)c(O)c1)C(N)=O 40674022 BFEBYPFVBUCADR-UHFFFAOYSA-N 224.260 0.451 10 10 BCCE CN1C[C@H](N)c2cc3c(cc21)OCCO3 84772006 GGKIERMOJDRSIZ-QMMMGPOBSA-N 206.245 0.907 10 10 BCCE O=C1CN(C(=O)c2ccccc2)CC1=O 105682063 FZPVDWPTWVSNDB-UHFFFAOYSA-N 203.197 0.281 10 10 BCCE CN(Cc1cn[nH]c1)C(=O)c1cc(O)nc(O)c1 112220385 JQRRKUSTOVWEIU-UHFFFAOYSA-N 248.242 0.488 10 10 BCCE Cc1cc(CN(C)C)c(O)c(C(N)=O)c1 212372876 PTUBOKQKKYKJPV-UHFFFAOYSA-N 208.261 0.861 10 10 BCCE Cc1cc([C@H]2CC(=O)NCCN2)c(O)cc1O 216976920 AZGKPCPHQVXNGY-SECBINFHSA-N 236.271 0.557 10 10 BCCE COC(=O)[C@H]1NC(=O)[C@H]1CCCN=[N+]=[N-] 219412855 UIMFKQOHJHOOSG-WDSKDSINSA-N 212.209 0.365 10 10 BCCE CNC(=O)[C@]1(C)CCN(CCN=[N+]=[N-])C1 230917945 WWWMNOIHGXDKBE-SECBINFHSA-N 211.269 0.755 10 10 BCCE CCNS(=O)(=O)CCNc1ccc(N)cc1 230984373 RMXYTTYMDDNAIQ-UHFFFAOYSA-N 243.332 0.620 10 10 BCCE CCn1ccnc1[C@@H](N)c1ccn(C)c(=O)c1 234206428 KIANHQCHHVGNAJ-NSHDSACASA-N 232.287 0.650 10 10 BCCE CN1CCOc2cc3c(cc21)OC[C@H]3N 238320779 IPTTUVNAPVBHPP-MRVPVSSYSA-N 206.245 0.907 10 10 BCCE N#Cc1cc([C@H](N)CCC(=O)O)c(O)cc1O 258188236 GKABKOZOTSQURG-MRVPVSSYSA-N 236.227 0.834 10 10 BCCE N[C@H](CCC(=O)O)c1ccc2c(c1O)OCO2 258368213 ZVELITSNDDTULP-SSDOTTSWSA-N 239.227 0.986 10 10 BCCE Nc1cccc(F)c1N[C@H]1CCC(=O)NC1=O 306093985 MXXSCHUSGQTXAB-QMMMGPOBSA-N 237.234 0.625 10 10 BCCE CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])C[C@@H](O)O[C@@H]1C 308693849 PFRKCSWGXRPANJ-GVYWOMJSSA-N 215.209 0.724 10 10 BCCE COC(=O)[C@@H](O)Cn1ccc2cc(N)ccc21 310103841 CHYWEHFBQPCKHU-NSHDSACASA-N 234.255 0.757 10 10 BCCE COC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 310112357 AVKRSDAKRFYBRC-NSHDSACASA-N 233.271 0.474 10 10 BCCE Nc1ccc(CN2C[C@@H](O)[C@H](CO)C2)cc1 316562220 SUAMCRUCOZETJF-CMPLNLGQSA-N 222.288 0.054 10 10 BCCE Oc1cccc(CNCCn2cncn2)c1O 381743212 ZUETVQCHOUADFO-UHFFFAOYSA-N 234.259 0.479 10 10 BCCE O=C(O)[C@@H]1CCN1C(=O)c1cccc(O)c1O 384535271 HWYNVLNGRPLUBD-ZETCQYMHSA-N 237.211 0.397 10 10 BCCE C[C@@H]1C[C@@H]1[C@H](NCCCN=[N+]=[N-])C(N)=O 705276400 CZEGGYJXOIOGAP-CSMHCCOUSA-N 211.269 0.786 10 10 BCCE COc1ccc(CN2C[C@@H]3C[C@]3(N)C2)c(O)c1 1236019431 XRVLITKUKAUKER-GWCFXTLKSA-N 234.299 0.934 10 10 BCCE Oc1ccc(C[C@]2(O)CCCNC2)cc1O 1535870202 YOMHXPRAZVNHBK-GFCCVEGCSA-N 223.272 0.755 10 10 BCCE COC(=O)[C@H]1CNC[C@H]1c1cccc(O)c1O 1614633375 GDUSOMKCAITSCS-IUCAKERBSA-N 237.255 0.574 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1cnnn1C1CC1 1912145888 MOZSFJSSJVRCHX-UHFFFAOYSA-N 221.224 0.653 10 10 BCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1912150305 RIIKUROKILBZNO-ZCFIWIBFSA-N 221.224 0.577 10 10 BCCE COC(=O)NC(=O)CN(C)CCN=[N+]=[N-] 1912154626 CUCRUTJGMIEQHK-UHFFFAOYSA-N 215.213 0.111 10 10 BCCE CCC1CC(NCCN=[N+]=[N-])(C(N)=O)C1 1912162386 VKHASEALDCCVCQ-UHFFFAOYSA-N 211.269 0.930 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H](O)C(F)(F)C1 1912199658 VWAVCPJPXHHKRD-ZCFIWIBFSA-N 206.196 0.999 10 10 BCCE [N-]=[N+]=NCC1CCN(CCC(N)=O)CC1 1912201341 SMCMXMYCASDNNW-UHFFFAOYSA-N 211.269 0.884 10 10 BCCE Oc1ccc(CNCC2COC2)c(O)c1O 1939188647 WTLDRWKWBXIRHK-UHFFFAOYSA-N 225.244 0.539 10 10 BCCE Nc1ccc(CCC(=O)Nn2cnnc2)cc1 1941862461 QFTIVDPKRQLOOI-UHFFFAOYSA-N 231.259 0.563 10 10 BCCE N[C@H](c1ccccc1O)[C@@H]1CN2CCN1CC2 1942391242 DOBOHHVHHIGADA-WCQYABFASA-N 233.315 0.392 10 10 BCCE N[C@]1(c2cc(O)ccc2O)C[C@H]1C(=O)O 1952772856 QGQCCJMXBLUPDO-XVKPBYJWSA-N 209.201 0.356 10 10 BCCE CN(CCC(N)=O)Cc1c(O)cccc1F 1964557912 JKAKCSJADFIGKF-UHFFFAOYSA-N 226.251 0.839 10 10 BCCE [N-]=[N+]=NCCCN1CC(C(=O)NC2CC2)C1 1980041543 KPWXUUPTNWMJDQ-UHFFFAOYSA-N 223.280 0.897 10 10 BCCE CN(Cc1ccc(N)cc1)C[C@](C)(O)CO 1980070707 KEDHXTVZLXQLHJ-LBPRGKRZSA-N 224.304 0.444 10 10 BCCE [N-]=[N+]=NCCN1C[C@@H](O)[C@H](O)CC12CCC2 1980719397 VZBNCYDEDYQVKD-RKDXNWHRSA-N 226.280 0.647 10 10 BCCE O=c1nc(CNCc2ccccc2O)[nH]o1 1981472247 OSSWNAAHDBSHFI-UHFFFAOYSA-N 221.216 0.358 10 10 BCCE CN=c1[nH]sc(=NCc2ccc(N)cc2)[nH]1 1981934385 VCWOEMYASPHUSR-UHFFFAOYSA-N 235.316 0.618 10 10 BCCE CO[C@H](C(=O)CC(=O)C(C)=O)[C@H]1CCCO1 1983714756 BNCWRPKRICPAGK-GHMZBOCLSA-N 228.244 0.298 10 10 BCCE O=C(NC[C@@H]1C[C@@H]1CO)c1ccc(O)c(O)c1 2005975189 YQVOBQATZGZTJM-DTWKUNHWSA-N 237.255 0.456 10 10 BCCE CN(C)CCOCC(=O)Nc1ccc(N)cc1 2007006782 KXSFRXNSQHQIFB-UHFFFAOYSA-N 237.303 0.786 10 10 BCCE O=C(NC1(CCO)CC1)c1cc(O)nc(O)c1 2017543571 RVYJSIOWEJHWLT-UHFFFAOYSA-N 238.243 0.138 10 10 BCCE Oc1cc2c(cc1CN[C@@H]1[C@H]3CCO[C@H]31)OCO2 2056356820 FIRJYWLGLDWWSR-BZHVJNSISA-N 249.266 0.998 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN(CCOCC(N)=O)C1 2217474382 RUXQRVDPQHNDTB-SECBINFHSA-N 241.295 0.511 10 10 BCCE Cc1cc(N2CC(O)(CCO)C2)ccc1CN 2249525616 AEQFZFCFIYEWBE-UHFFFAOYSA-N 236.315 0.387 10 10 BCCE NC[C@@]12C[C@H]1CN(Cc1ccc(O)cc1O)C2 2250696265 UKFIXKJNVIRRMB-GXFFZTMASA-N 234.299 0.878 10 10 BCCE C[C@H]1[C@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2O 2260425326 OQOWYBXFHYGDTG-BPTDKIDVSA-N 248.282 0.632 10 10 BCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)NC(=O)[C@@H]2N 2260452792 IOQPRSHFVISGFF-CQFDHEJISA-N 247.298 0.598 10 10 BCCE C[C@@H](O)CN1CCN(c2ccc(CN)cc2)CC1 20266024 RKJMIJXCYXMSRO-GFCCVEGCSA-N 249.358 0.648 10 10 BCCE CC(C)C[C@H](N=[N+]=[N-])[C@@H](O)CC(N)=O 38916875 SLWSCNARNHNCCQ-BQBZGAKWSA-N 200.242 0.948 10 10 BCCE CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1N 50463310 JEGGIECMYSYKKQ-NXEZZACHSA-N 220.272 0.698 10 10 BCCE COC(=O)[C@H](N)c1ccc2c(c1O)OCO2 95770258 LNXFRJZPGFLUKH-SSDOTTSWSA-N 225.200 0.294 10 10 BCCE C[C@@H]1CC(=O)NN1Cc1ccc(N)cc1 106791588 BNNYAPZWMUFLQJ-MRVPVSSYSA-N 205.261 0.894 10 10 BCCE CC[C@H](O)CCNC(=O)c1cc(O)nc(O)c1 135085697 AUULMYMTJRZADL-QMMMGPOBSA-N 240.259 0.384 10 10 BCCE CC[C@@H](NCc1ccccc1O)C(N)=O 162957662 CZAJFFZMOWAZOE-SECBINFHSA-N 208.261 0.746 10 10 BCCE C[C@H](NOCC(N)=O)c1ccc(N(C)C)cc1 169118777 GIGYBHPITBKBCA-VIFPVBQESA-N 237.303 0.820 10 10 BCCE COC(=O)c1c(N)cc(F)c(O)c1O 215042949 CKVXBWDVNWXWNF-UHFFFAOYSA-N 201.153 0.606 10 10 BCCE C[C@@H](NCCC(N)=O)c1c(O)cccc1O 235180408 VNFLLVDXCBNARO-SSDOTTSWSA-N 224.260 0.624 10 10 BCCE O=C(O)[C@@H]1CN[C@@H](c2ccccc2O)CO1 258229313 MGTAWRTZCUFTBH-SCZZXKLOSA-N 223.228 0.506 10 10 BCCE CN(CNN)c1ccc2c(c1)CC(=O)N2C 259229281 YJNDJNWTSDZLDT-UHFFFAOYSA-N 220.276 0.063 10 10 BCCE COC(=O)C(=O)c1c(O)c(O)cc(O)c1Cl 260148089 LLMTXYGIWXNDCN-UHFFFAOYSA-N 246.602 0.813 10 10 BCCE CO[C@H]1O[C@@H]2C[S@@](=O)[C@H]1[C@H]2N=[N+]=[N-] 306664900 XMTJYAUONSIHBK-LQNKKGBASA-N 203.223 0.168 10 10 BCCE COC[C@@H](N)c1ccc(N(C)CCO)cc1 309216326 VQOCPSZWMFIIMV-GFCCVEGCSA-N 224.304 0.761 10 10 BCCE N[C@H](CCC(=O)O)c1ccc(O)c(O)c1O 309264623 WZQXQPYPJJVTRI-ZCFIWIBFSA-N 227.216 0.668 10 10 BCCE C[C@H]1CN(c2ccc(CN)cc2)C[C@H]1O 387761663 FSFYDPNFHSRUGW-JOYOIKCWSA-N 206.289 0.962 10 10 BCCE C[C@@H](N)Cc1cc(O)c(O)c([N+](=O)[O-])c1 396126705 FVFXOVDRODDGJY-RXMQYKEDSA-N 212.205 0.896 10 10 BCCE [N-]=[N+]=NCCN1CCN2C[C@H](O)C[C@H]2C1 405694740 OSANGRVLNSPIQF-DTWKUNHWSA-N 211.269 0.048 10 10 BCCE Nc1ccc(O)c(CN2CC3CC2(CO)C3)c1 694561049 RJDIRSLFWCFGJW-UHFFFAOYSA-N 234.299 0.931 10 10 BCCE CC(=O)NCCC(=O)N1CCC[C@H](N=[N+]=[N-])C1 701332187 GRBFKGCSWLTSSW-VIFPVBQESA-N 239.279 0.814 10 10 BCCE C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCN=[N+]=[N-] 706138603 DITLARSMRNHJLI-HTQZYQBOSA-N 239.279 0.575 10 10 BCCE CNCc1ccc(N2CCN(C(N)=O)CC2)cc1 722169649 BQZDIRDTIHDFGO-UHFFFAOYSA-N 248.330 0.607 10 10 BCCE Oc1ccccc1CN1CCOC[C@@H](O)C1 824625616 LPSHJRFCSDMYJK-NSHDSACASA-N 223.272 0.585 10 10 BCCE Oc1cc2c(cc1CN1C[C@H]3C[C@@]3(O)C1)OCO2 895645217 AGHPTORNQLHDNP-NOZJJQNGSA-N 249.266 0.688 10 10 BCCE Oc1ccc(CCNC2CCNCC2)cc1O 1246241458 MMDVJUAITRXYHN-UHFFFAOYSA-N 236.315 0.982 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(=O)O)C[C@H]2OCCC[C@H]21 1912154622 CTPHFLZPZBVWMN-NQMVMOMDSA-N 240.263 0.909 10 10 BCCE Cn1nnnc1CN1CCC(CN=[N+]=[N-])CC1 1912196618 WQNZQWBPWKPURY-UHFFFAOYSA-N 236.283 0.732 10 10 BCCE N[C@@H](c1ccccc1O)C1CS(=O)(=O)C1 1928466734 FQNQVAAMEWFSMP-SNVBAGLBSA-N 227.285 0.437 10 10 BCCE Cn1ccnc1[C@H](NN)c1ccccc1O 1936967396 GUQFJNYYTQXFTJ-SNVBAGLBSA-N 218.260 0.678 10 10 BCCE Oc1ccccc1CN1C[C@H]2OCCO[C@@H]2C1 1944765677 ICVKTIXNKADXND-CHWSQXEVSA-N 235.283 0.992 10 10 BCCE CN(Cc1ccc(O)cc1O)C1[C@@H]2CNC[C@@H]12 1944898567 IPFSMWKFSBHCOF-GHMZBOCLSA-N 234.299 0.747 10 10 BCCE CN1C[C@@H](O)[C@H](N(C)Cc2ccc(N)cc2)C1 1950812774 QSSCQGYXWXQWLX-CHWSQXEVSA-N 235.331 0.376 10 10 BCCE O=C1N[C@H](Cc2ccc(O)c(O)c2)CO1 1951603105 WGCPPQCICLXVEI-SSDOTTSWSA-N 209.201 0.749 10 10 BCCE N[C@H]1CO[C@@H](Cc2ccc(O)c(O)c2)C1 1952212210 SIBNUWKUAGCMTJ-BDAKNGLRSA-N 209.245 0.757 10 10 BCCE COC[C@@H](N)c1c(O)cccc1[N+](=O)[O-] 1952377774 GGXKHTRGKNIODH-ZCFIWIBFSA-N 212.205 0.947 10 10 BCCE N[C@@H](c1c(O)cc(O)cc1O)C1(O)CC1 1952413827 ZMICZRAMLUUEMJ-VIFPVBQESA-N 211.217 0.328 10 10 BCCE N[C@]1(c2ccc([N+](=O)[O-])cc2O)C[C@H]1C(=O)O 1952760502 GODUUTPFAQWTJR-XVKPBYJWSA-N 238.199 0.559 10 10 BCCE Oc1cccc(CN[C@H]2C[C@@H](O)C2)c1O 1958251542 WZYWUYQTORXSCX-DTORHVGOSA-N 209.245 0.711 10 10 BCCE Cn1cc(CCN2CC[C@H](N=[N+]=[N-])C2)nn1 1978606409 LCLPIKGJZSULMG-VIFPVBQESA-N 221.268 0.742 10 10 BCCE CNC1CC(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980375770 BWBABVQEBHSJQH-IZINZVLLSA-N 224.304 0.250 10 10 BCCE [N-]=[N+]=NCCN[C@@H](C(N)=O)C1CC2(CC2)C1 1986289918 CXPYHHNTMGBRKS-MRVPVSSYSA-N 223.280 0.930 10 10 BCCE Nc1ccccc1N[C@@H]1CO[C@H]2CNC[C@H]12 1989375499 GMKVJJFYMCZWMG-FXAINCCUSA-N 219.288 0.668 10 10 BCCE Cc1ccc(CNCCCNC(N)=O)c(O)c1 2024808705 SQTGZJMCQKISNC-UHFFFAOYSA-N 237.303 0.849 10 10 BCCE Cc1cc(N2C[C@H]3C[C@@]2(CO)CO3)ccc1CN 2033613023 HFGFNXJFAPESRJ-ZIAGYGMSSA-N 248.326 0.794 10 10 BCCE O=C(NC[C@H]1[C@H]2CNC[C@H]21)c1cccc(O)c1O 2055514135 WIPDDUBGUCVGMM-ILWJIGKKSA-N 248.282 0.293 10 10 BCCE Nc1ccc(CN2CC[C@]3(CNC(=O)N3)C2)cc1 2057559665 AJWIRHUQGJQJGC-ZDUSSCGKSA-N 246.314 0.526 10 10 BCCE Nc1ccc(OCCOCCn2cncn2)cc1 2064624292 CPHFCZNYCJVETA-UHFFFAOYSA-N 248.286 0.956 10 10 BCCE Cn1cc(N)c(C(=O)NCc2ccc(N)cc2)n1 2071721231 NXTFCCAAIQHODC-UHFFFAOYSA-N 245.286 0.515 10 10 BCCE O=C(NC[C@@H]1NC[C@H]2C[C@H]21)c1cccc(O)c1O 2078315664 JCLKLSZCPJFJSM-QNSHHTMESA-N 248.282 0.436 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@@H]2CO 2082848594 VQVLLCTUBRYSOP-QNSHHTMESA-N 249.266 0.551 10 10 BCCE CC1(C)[C@@H](C(=O)N2CC(N=[N+]=[N-])C2)[C@H]1C(=O)O 2213583547 TUKPEZUHUYIIJU-RQJHMYQMSA-N 238.247 0.864 10 10 BCCE Cn1c(-c2c[nH]nc2CCN)nc2ncccc21 2219867825 PLDKOUKYMKKKBO-UHFFFAOYSA-N 242.286 0.860 10 10 BCCE COc1ccc(N2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1 2220130080 GGVOOQSFVVVESG-LEWSCRJBSA-N 248.326 0.712 10 10 BCCE CNCCSc1ncc(C(=N)NO)s1 2242575411 JQYFHHVOALIFGA-UHFFFAOYSA-N 232.334 0.759 10 10 BCCE CO[C@H](CO)CNC(=O)Nc1ccc(N)cc1 2252841611 GDNSVRUCUVGQSR-JTQLQIEISA-N 239.275 0.398 10 10 BCCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2308660081 YQAXWBXXIHECHZ-GSVCSZOMSA-N 249.310 0.936 10 10 BCCE COc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(CN)c1 2312416984 PNCCJOVVFWQJRT-SUHUHFCYSA-N 248.326 0.971 10 10 BCCE O=C(O)c1cc(O)c(O)c(O)c1C(=O)O 14775581 YVTWZIZBFIANKG-UHFFFAOYSA-N 214.129 0.200 10 10 BCCE CCOCC(=O)NCc1cc(N)ccc1O 36737441 NJJZOGVYVIPMRD-UHFFFAOYSA-N 224.260 0.627 10 10 BCCE C[C@H]1N[C@@H](c2ccc(N(C)C)cc2)NC1=O 42788765 RQUMMRUYCMCJRY-LDYMZIIASA-N 219.288 0.859 10 10 BCCE COc1ccc2c(c1)N(C)C[C@H]1CNCCN21 76680143 DJALVVYRAIUOIH-SNVBAGLBSA-N 233.315 0.923 10 10 BCCE C[C@H](CO)CNC(=O)COc1ccc(N)cc1 86616750 ZVKLDTALDHQICZ-VIFPVBQESA-N 238.287 0.392 10 10 BCCE CC(=O)N[C@H](Cc1ccccc1)C(=O)C=[N+]=N 96361006 FMAPWLAZHIZYEH-LLVKDONJSA-O 232.263 0.613 10 10 BCCE CN1CCN(NCc2cccc(F)c2O)CC1 158835157 JWWDQJUYXDPECH-UHFFFAOYSA-N 239.294 0.783 10 10 BCCE COC(=O)N[C@@H]1CCN(CCN=[N+]=[N-])C1 160349050 RUBVQVWDYMZBRY-SSDOTTSWSA-N 213.241 0.727 10 10 BCCE COc1ccc2c(c1)[C@@H]([C@H](N)C(=O)O)CN2C 212169867 RYIPVYAGQLGGCN-ONGXEEELSA-N 236.271 0.641 10 10 BCCE COc1ccc(N2CCC[C@@H](C(N)=O)C2)c(N)c1 213351533 DZZAVKPIUPIIKE-SECBINFHSA-N 249.314 0.979 10 10 BCCE COc1cc(N)c(N2CC[C@@H](O)C2)cc1OC 213457015 YMTPIORSISIXNI-MRVPVSSYSA-N 238.287 0.857 10 10 BCCE N[C@H]1C=C[C@@H](C(=O)NCc2ccccc2O)C1 228423043 LXFOJBRFHRGHPN-KOLCDFICSA-N 232.283 0.912 10 10 BCCE C[C@H](CCN)NC(=O)c1ccc(O)c(O)c1 235439523 PYWHXOXGSXFBAE-SSDOTTSWSA-N 224.260 0.565 10 10 BCCE N[C@@H](CC(=O)O)c1cc(O)c(F)cc1O 258159584 XQGIFGVNTROIEK-LURJTMIESA-N 215.180 0.711 10 10 BCCE COc1ccc(N(C)C)c([C@@H](O)C(=O)O)c1 258522471 SFKKZYDRHOEFBM-SNVBAGLBSA-N 225.244 0.879 10 10 BCCE COc1ccc(N2CCC[C@@](N)(CO)C2)cc1 259051439 WRNJWMXHNHJGPA-ZDUSSCGKSA-N 236.315 0.985 10 10 BCCE N[C@H](CCCO)c1ccc(C(=O)O)cc1O 309523318 BFDWRCKFMZQULT-SECBINFHSA-N 225.244 0.863 10 10 BCCE Nc1ccc(CC(=O)NC/C=C\C(=O)O)cc1 310322213 VJTLVQPUHFQLHL-UPHRSURJSA-N 234.255 0.568 10 10 BCCE Nc1ccc(N2CC[C@@](O)(CO)C2)cc1 313664768 OKZIHHUBZZZYHD-NSHDSACASA-N 208.261 0.202 10 10 BCCE COC[C@H](O)[C@@H](N)c1ccc(O)c(O)c1 389443489 KWPAVXCDXAWQBX-UWVGGRQHSA-N 213.233 0.105 10 10 BCCE C[C@H](N[C@H](C)[C@@H](O)CO)c1cc(O)ccc1O 699005436 LKTAHJNYIDXZGO-SXMVTHIZSA-N 241.287 0.490 10 10 BCCE CC[C@](N)(C(=O)O)c1ccc(O)c(O)c1 713736818 ZOCYAXMJTKOROI-SNVBAGLBSA-N 211.217 0.746 10 10 BCCE Cc1c[nH]nc1CNC(=O)c1cc(O)nc(O)c1 716226224 FVBPBWWGSWQCNY-UHFFFAOYSA-N 248.242 0.454 10 10 BCCE COc1cc(OCCCN)cc(O)c1O 1535809610 UHKSZDZHQNIIEY-UHFFFAOYSA-N 213.233 0.834 10 10 BCCE COC(=O)[C@@H](O)c1cc(O)c(O)c(OC)c1 1535815467 WJGVUODHZGFYIK-QMMMGPOBSA-N 228.200 0.313 10 10 BCCE Cc1cccc(O)c1CNN(C)S(C)(=O)=O 1901378106 WZBBAULZYIBPGV-UHFFFAOYSA-N 244.316 0.597 10 10 BCCE Oc1ccccc1CN1CCN[C@@H]2COC[C@@H]21 1909125923 CLTSGWDDKDZHRR-NEPJUHHUSA-N 234.299 0.565 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)N2CC[C@@H](O)C2)C1 1912143295 CZYJFQOSMVWOGH-JGVFFNPUSA-N 225.252 0.558 10 10 BCCE NC[C@@H]1C[C@H](F)CN1Cc1ccc(O)c(O)c1 1923561303 VTRPHCFGKHSHHS-UWVGGRQHSA-N 240.278 0.969 10 10 BCCE CO[C@@H](CN)Cc1ccc(O)c(CN(C)C)c1 1952205576 YWHVVFMIKDZHTJ-GFCCVEGCSA-N 238.331 0.970 10 10 BCCE NC12CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C1)C2 1980375777 CADLCUXOXVGVQF-WGQVMWFBSA-N 222.288 0.133 10 10 BCCE COC[C@H]1CNCCN1c1ccc(N)cc1 1989342656 IQRSVZAPHQDREO-GFCCVEGCSA-N 221.304 0.693 10 10 BCCE COc1ccc(O)c(CN[C@@H](CO)[C@H](C)O)c1 2005846985 JOSNTNWOUIGMGG-KWQFWETISA-N 241.287 0.232 10 10 BCCE COc1cccc(O)c1CNCC[C@H](O)CO 2011183897 LDQNMQPTJBCDDH-VIFPVBQESA-N 241.287 0.234 10 10 BCCE C[C@H](N)CCNC(=O)COc1ccc(N)cc1 2016997993 ZGTKPYSPJPXQBZ-VIFPVBQESA-N 237.303 0.501 10 10 BCCE C[C@H](O)[C@@H](N)C(=O)N[C@H](C)c1ccccc1O 2017524110 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CC[C@H](O)[C@@H](C)NC(=O)c1cccc(O)c1O 387114019 JBCUINJYGNPSPW-APPZFPTMSA-N 239.271 0.987 10 10 BCCE CC(=O)NC1CN(c2ccc(CN)cc2C)C1 388318703 YVKHLCWHLVLTJH-UHFFFAOYSA-N 233.315 0.778 10 10 BCCE C[C@@H]1OC(=O)N[C@H]1c1ccc(O)c(O)c1O 397012245 XUWFFUPSWADLCX-MHTLYPKNSA-N 225.200 0.973 10 10 BCCE O=S(=O)(CCCCO)Nc1ccc(O)cc1 689062865 UJKRJQRRCVGDAG-UHFFFAOYSA-N 245.300 0.906 10 10 BCCE CN(c1ccc(CO)cc1)C1CC(C(N)=O)C1 703505458 YBZHOUZQYXVGFW-UHFFFAOYSA-N 234.299 0.879 10 10 BCCE CC(=O)C(=O)COC(=O)COC1(C)CCC1 808529736 RAGOFEZAQOBTJR-UHFFFAOYSA-N 228.244 0.647 10 10 BCCE CCCc1nc(C(=O)N2CC(N=[N+]=[N-])C2)n[nH]1 1912178056 JZYARUIUUGYFEZ-UHFFFAOYSA-N 235.251 0.892 10 10 BCCE [N-]=[N+]=NCCN1C[C@H]2CS(=O)(=O)C[C@H]2C1 1912196067 SBWSJGSSVNWBIX-OCAPTIKFSA-N 230.293 0.273 10 10 BCCE CCS(=O)(=O)CCN1CC[C@H](N=[N+]=[N-])C1 1912202694 LDVMOPZOIYQPSK-QMMMGPOBSA-N 232.309 0.806 10 10 BCCE NCC1CC(C(=O)NCc2ccccc2O)C1 1915972250 YQVMUNFJTCCUAQ-UHFFFAOYSA-N 234.299 0.993 10 10 BCCE 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CN(c1ccc(N)cc1)C1CC(C(N)=O)C1 703505425 LACSTKWPKFTDEH-UHFFFAOYSA-N 219.288 0.969 10 10 BCCE [N-]=[N+]=NCCCNS(=O)(=O)c1cccnn1 712808127 GMNSPYDFCOZKDD-UHFFFAOYSA-N 242.264 0.455 10 10 BCCE Oc1ccc(CN2CC3(CCNC3)C2)cc1O 724056503 MKXDCGSQLLWLNF-UHFFFAOYSA-N 234.299 0.893 10 10 BCCE COCC(C)(C)C(=O)OCC(=O)C(C)=O 808531693 WRSWFZNOWIYNMY-UHFFFAOYSA-N 216.233 0.360 10 10 BCCE C[C@@H](N)[C@@H](C)NCc1cc2c(cc1O)OCO2 841082128 WGFOTMJUGVSBEV-HTQZYQBOSA-N 238.287 0.946 10 10 BCCE Cn1c(O)nc(NCc2ccccc2O)cc1=O 1639371301 VBGYMPQZNDOMEW-UHFFFAOYSA-N 247.254 0.804 10 10 BCCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H]2CO)cc1 1905602268 QZORLYAXUCZJST-GZMMTYOYSA-N 236.271 0.145 10 10 BCCE CO[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 1907697639 KSFAZHFGPNYODE-JOYOIKCWSA-N 239.271 0.601 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2cnc[nH]2)C1 1912143907 LYTHFTJMVZFPOM-LURJTMIESA-N 206.209 0.935 10 10 BCCE C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](N=[N+]=[N-])C1 1912166512 YGVBAZFRSOLAEK-NKWVEPMBSA-N 240.267 0.345 10 10 BCCE 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10 BCCE CC[C@](C)(CO)NC(=O)c1cc(O)nc(O)c1 80874777 QGVXOKGGZDKNNQ-LLVKDONJSA-N 240.259 0.384 10 10 BCCE NC(=O)CN(CCF)Cc1ccc(N)cc1 87775891 BSBYITSYRHYVLC-UHFFFAOYSA-N 225.267 0.526 10 10 BCCE COc1ccc(N(C)CC(=O)CN)cc1 107149651 KCANZIRDQIBDBM-UHFFFAOYSA-N 208.261 0.659 10 10 BCCE Cc1ccc(O)c(CN[C@@H]2CC(=O)N(C)C2=O)c1 115260892 XLFXMNPUHOJTMS-SNVBAGLBSA-N 248.282 0.548 10 10 BCCE C[C@H](N)c1ccc2c(c1)CCN2CCC(N)=O 162088543 ZQPHRLBORWZHCW-VIFPVBQESA-N 233.315 0.944 10 10 BCCE CCN(CCCO)c1ccc2c(c1)NC(=O)[C@@H]2N 165207568 VQZWAXYRIJGRJW-GFCCVEGCSA-N 249.314 0.847 10 10 BCCE CN(C)C[C@H](O)CNc1ccc(N)cc1 218207856 QIZOTSMWJYZVEK-LLVKDONJSA-N 209.293 0.603 10 10 BCCE COC(C)(C)C[C@@H](NCCN=[N+]=[N-])C(N)=O 234597055 WBLOLRBGQRWTST-SSDOTTSWSA-N 229.284 0.555 10 10 BCCE C[C@@H](C(=O)O)[C@H]1SC(=S)NC1=O 238426979 FZAOBFUVSOFUBW-PWNYCUMCSA-N 205.260 0.224 10 10 BCCE CC(CO)(CO)COc1ccc(N)cc1 309072375 FRKJQRYAUZKWBA-UHFFFAOYSA-N 211.261 0.639 10 10 BCCE NC(=O)C1(NCc2ccc(O)cc2O)CC1 309574256 OBLRWRXYIKQSAR-UHFFFAOYSA-N 222.244 0.205 10 10 BCCE Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]2O)cc1 323695471 QCKOEVPIDKSWRL-RYUDHWBXSA-N 234.299 0.841 10 10 BCCE CN1C[C@H](CO)[C@H](c2cccc(O)c2O)C1 382719318 MMLLPNMQVBKCAE-PSASIEDQSA-N 223.272 0.735 10 10 BCCE O=C(NCC1CNC1)c1cccc(O)c1O 397715237 GEYUIUQWPWNUOD-UHFFFAOYSA-N 222.244 0.047 10 10 BCCE CC[C@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CO1 688442343 ZICZYWJFBXAALC-WCBMZHEXSA-N 241.295 0.699 10 10 BCCE Cn1ccc(-c2cnn3c2NCC3)cc1=O 707649536 ALJQIIYCESJVIR-UHFFFAOYSA-N 216.244 0.674 10 10 BCCE C[C@](O)(C(=O)O)[C@H](N)c1ccc(Cl)cc1O 713776629 XZAKJDXCPVWXGJ-PSASIEDQSA-N 245.662 0.881 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2C[C@@H]2C(=O)O)cc1 1905591437 WKBKQHBNTBDLGO-VHSXEESVSA-N 234.255 0.401 10 10 BCCE C[C@H]1[C@H](O)CCN1C(=O)c1cccc(O)c1O 1914392563 FVWIWRKSBPSOFC-IONNQARKSA-N 237.255 0.693 10 10 BCCE NC1(c2ccccc2O)COCCOC1 1928467670 NGGKFJGFNGMEDN-UHFFFAOYSA-N 209.245 0.593 10 10 BCCE Cn1ccc([C@@H](NN)c2ccccc2O)n1 1936968033 MWMGULWUCZPNAA-NSHDSACASA-N 218.260 0.678 10 10 BCCE O=C(NC[C@@H](O)CF)c1ccc(O)c(O)c1 1937679681 CMTDCKDKELXZDD-ZETCQYMHSA-N 229.207 0.158 10 10 BCCE O=S1(=O)CC[C@@H]1CNCc1ccccc1O 1937954940 KNIXAUCJDOLKQB-SNVBAGLBSA-N 241.312 0.669 10 10 BCCE Nc1ccc(O)c(CN2C[C@@H]3C[C@@H](O)[C@H]3C2)c1 1946110182 NPVSKOWSOPKJRC-LJUAHTATSA-N 234.299 0.787 10 10 BCCE COc1cc([C@@H]2OCC[C@@H]2N)cc(O)c1O 1952533024 XZNLLFWWZHGUHW-CPCISQLKSA-N 225.244 0.895 10 10 BCCE Oc1ccc(O)c([C@H]2NCCC[C@H]2O)c1 1952588762 CLEVFCGXTYEXQN-GHMZBOCLSA-N 209.245 0.883 10 10 BCCE O=C(O)[C@@H]1CCN[C@H]1c1c(O)cc(O)cc1O 1952828820 FPYAHUQCBBPUGC-LHLIQPBNSA-N 239.227 0.539 10 10 BCCE Nc1ccc(CNCc2nc(=O)o[nH]2)cc1 1981475889 YGQVMEXTNJLDIE-UHFFFAOYSA-N 220.232 0.235 10 10 BCCE N=c1ccc(=NCc2ccc(N)cc2)[nH][nH]1 1981918726 JWEXEKNCCJFITC-UHFFFAOYSA-N 215.260 0.505 10 10 BCCE CCNC(=O)COCCc1ccc(N)cc1 1983132681 USEFRKQJKBZZKZ-UHFFFAOYSA-N 222.288 0.964 10 10 BCCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(N)cc1 1985226142 PQWPUOZLOFTCNY-MNOVXSKESA-N 222.288 0.589 10 10 BCCE NCC[C@H]1CN(c2ccc(N)cc2)CCO1 1989417049 CTJJSFOJUIGCLF-LBPRGKRZSA-N 221.304 0.823 10 10 BCCE CN(c1ccc(N)cc1)C1(CC(=O)O)CNC1 1999269769 RYNWVGULOUVEPU-UHFFFAOYSA-N 235.287 0.522 10 10 BCCE N=c1[nH]cc(C(=O)NCc2ccccc2O)o1 2005060883 OIFFNCYBHVTUGR-UHFFFAOYSA-N 233.227 0.723 10 10 BCCE Nc1ccc(NC(=O)N2CCC23CNC3)cc1 2016889695 YDPUKWNESVIHGU-UHFFFAOYSA-N 232.287 0.848 10 10 BCCE Cc1ccc(CN2CCO[C@H](CN)C2)c(O)c1 2024814801 NXIRUDLXRHFBQC-GFCCVEGCSA-N 236.315 0.860 10 10 BCCE C[C@@H]1CNC[C@H]1NC(=O)COc1ccc(N)cc1 2071733012 YTSNKRRRHNOCJJ-BXKDBHETSA-N 249.314 0.372 10 10 BCCE OCc1ccc(N2CC[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2078790545 FFDPLFLMYZIGMX-DEQVHRJGSA-N 249.310 0.499 10 10 BCCE [N-]=[N+]=NCCCN1CCC[C@H]2CNC(=O)[C@@H]21 2242679342 NGFUGKMOLSSCLK-DTWKUNHWSA-N 223.280 0.897 10 10 BCCE COc1ccc(N(C)[C@@H]2C[C@@H](N)C[C@@H]2O)cc1 2246339066 CDRCKNFXLUAQJO-WQAKAFBOSA-N 236.315 0.982 10 10 BCCE COc1ccc(N2CC[C@H]2[C@H](O)CO)cc1C 2249548806 UWEVUHLWYXSNFV-NWDGAFQWSA-N 237.299 0.936 10 10 BCCE CCN(CCO)c1cc2c(cc1N)OCCO2 37897174 HUALCGJTCHEVMO-UHFFFAOYSA-N 238.287 0.859 10 10 BCCE CN[C@H](C(N)=O)c1ccc2c(c1)CCCN2C 50287585 JRLWGPGAFYTVGS-LBPRGKRZSA-N 233.315 0.815 10 10 BCCE N[C@@H](CO)c1ccc(N2CCNCC2)c(F)c1 72198887 BLRFPJVWMWMTBG-NSHDSACASA-N 239.294 0.227 10 10 BCCE Nc1ccc(CCc2n[nH]c(=O)[nH]2)cc1 82532102 WWFGGTWSZUYGEW-UHFFFAOYSA-N 204.233 0.465 10 10 BCCE COC(=O)c1csc(-c2cn[nH]c2N)n1 84149715 YLCUGKHMPPOOAJ-UHFFFAOYSA-N 224.245 0.902 10 10 BCCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCOC1 85223925 BBQNZIXBGBFPQA-QMMMGPOBSA-N 214.225 0.218 10 10 BCCE CN(C)/N=N/c1ccsc1C(=O)NCCN 117301014 FRBXIGJRDSLZSX-OUKQBFOZSA-N 241.320 0.997 10 10 BCCE CNS(=O)(=O)Nc1ccc(O)cc1Cl 160646209 LTGCEUCZBRCIOR-UHFFFAOYSA-N 236.680 0.922 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](O)C3)ccc21 218454423 RTOIFNIZBQCWLK-SKDRFNHKSA-N 247.298 0.600 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2CNC(=O)C2)cc1 229175772 YOTYCYOZRDSRPY-SECBINFHSA-N 234.259 0.279 10 10 BCCE [N-]=[N+]=NCCNC(=O)COCC(F)(F)F 232346925 LLQAADRMWKVKMS-UHFFFAOYSA-N 226.158 0.992 10 10 BCCE C[C@H](NCc1ccc(O)c(O)c1O)C(=O)O 235508749 PGDUJUNYKFHTNY-YFKPBYRVSA-N 227.216 0.366 10 10 BCCE O=C1C[C@@H](c2ccccc2O)NC(=O)N1 238728032 MUFIQOTUAQGHMJ-ZETCQYMHSA-N 206.201 0.663 10 10 BCCE Oc1cccc2c1[C@H](NCc1nnn[nH]1)CC2 310347680 PRUUMNYPYNVZAT-MRVPVSSYSA-N 231.259 0.682 10 10 BCCE O=C(N[C@@H]1CCC[C@H]1O)c1ccc(O)c(O)c1 323188479 REHNAALTWQMZSL-RKDXNWHRSA-N 237.255 0.741 10 10 BCCE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@@H]2C[C@H]1C(CO)(CO)C2 383688117 QQWMHUDDKPPMDV-NGJRWZKOSA-N 213.237 0.037 10 10 BCCE CC(=O)N[C@H](C(=O)O)c1ccc(O)cc1O 390066086 AWOQZONZZTZNCY-VIFPVBQESA-N 225.200 0.360 10 10 BCCE Nc1ccc(CNC(=O)[C@]23COC[C@@H]2C3)cc1 689126928 LBJUYGSSJZKOEX-GXFFZTMASA-N 232.283 0.922 10 10 BCCE C[C@@H](O)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1 708698075 KBVHOJSVCVMLMS-ICCXJUOJSA-N 237.299 0.936 10 10 BCCE C[C@H](O)[C@@H](O)CNCc1cccc(Cl)c1O 717361279 UUCLQUQLMHKOND-XVKPBYJWSA-N 245.706 0.877 10 10 BCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@H](C)CO1 885579588 LDTMDEZKLKSGQC-IMTBSYHQSA-N 214.217 0.113 10 10 BCCE Oc1ccccc1CN1C[C@H]2C[C@]2(O)C1 895649656 RSEQYIBBEMQSBI-PWSUYJOCSA-N 205.257 0.959 10 10 BCCE CN(CCN=[N+]=[N-])C[C@@H]1CC(F)(F)C(=O)N1 1903448004 NVGSVYMGQVWSIQ-LURJTMIESA-N 233.222 0.752 10 10 BCCE CNC(=O)NC(=O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912169694 NSYPLWFLMDISPS-SSDOTTSWSA-N 240.267 0.217 10 10 BCCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1 1912172048 QSXGBTXUDMGJIB-DTWKUNHWSA-N 244.320 0.948 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](CO)C[C@H]1CO 1912176062 UNDBDDLZFVFJHB-BDAKNGLRSA-N 214.269 0.362 10 10 BCCE CC(C)n1nnnc1CN1CC(N=[N+]=[N-])C1 1912183534 QJGIROSWNHSEDC-UHFFFAOYSA-N 222.256 0.749 10 10 BCCE CCc1c(C(=O)NCCN=[N+]=[N-])nnn1C 1912193056 BRCYIKIWHUQARP-UHFFFAOYSA-N 223.240 0.418 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)c1nc[nH]n1 1912200433 HJURATFTLUZJKH-UHFFFAOYSA-N 209.213 0.577 10 10 BCCE CN1CCN(CCCCN=[N+]=[N-])S1(=O)=O 1912208240 QWLIXHSECMEXKT-UHFFFAOYSA-N 233.297 0.569 10 10 BCCE Cn1nccc1C[C@H](NN)c1ccccc1O 1912488088 LMILCDQTNWBTMP-NSHDSACASA-N 232.287 0.873 10 10 BCCE CC(=O)C(=O)[C@H](O)c1snnc1C 1929189394 DYODIOFBDXTSGA-LURJTMIESA-N 200.219 0.038 10 10 BCCE N[C@@H](c1ccccc1O)[C@@H]1CCS1(=O)=O 1930857491 XCDVRAROOFORNU-UWVGGRQHSA-N 227.285 0.579 10 10 BCCE OC[C@H]1COC[C@H]1NCc1cccc(F)c1O 1942686562 XGRZDCLAJGHECV-GXSJLCMTSA-N 241.262 0.628 10 10 BCCE N[C@@H](c1ccccc1O)[C@@H](O)c1cncnc1 1943690710 NNDMRDMCWQLMBG-RYUDHWBXSA-N 231.255 0.916 10 10 BCCE C[C@@H]1OCC[C@]1(O)CNCc1ccc(N)cc1 1944076495 UJWSJCWAUYFOCI-GWCFXTLKSA-N 236.315 0.898 10 10 BCCE COC[C@H](N)Cc1ccc(O)c(O)c1O 1951870302 FYZVQXLMEZGSCL-SSDOTTSWSA-N 213.233 0.320 10 10 BCCE Oc1cc([C@H]2CNCCCO2)cc(O)c1O 1951971832 WIVJJBUPBXDTNE-SNVBAGLBSA-N 225.244 0.854 10 10 BCCE Oc1ccc(CN[C@H]2C[C@H](O)C2)c(O)c1 1958251223 PMHVRANNLAPUKI-CZMCAQCFSA-N 209.245 0.711 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](N)[C@H]2COC[C@@H]21 1962287074 FFXWAUGEYISYDQ-VGMNWLOBSA-N 211.269 0.345 10 10 BCCE O=C1NC[C@H](CNCc2cc(F)ccc2O)O1 1963623719 UENYPKUTYJKFKR-VIFPVBQESA-N 240.234 0.729 10 10 BCCE CN(Cc1ccc(F)cc1O)[C@H]1CCNC1=O 1964607053 NTBPDOADIKAXPQ-JTQLQIEISA-N 238.262 0.852 10 10 BCCE NC(=O)NCCCNCc1ccccc1O 1979963957 YEFGSVGWUNNWBI-UHFFFAOYSA-N 223.276 0.540 10 10 BCCE Nc1ccc(COC[C@@]2(O)CCOC2)cc1 1980666054 NZXLCVHTGDWGPC-GFCCVEGCSA-N 223.272 0.937 10 10 BCCE Nc1ccc(CCC(=O)N2CCCN2)cc1 1989366417 LLTKJCCZNWFBCH-UHFFFAOYSA-N 219.288 0.938 10 10 BCCE COc1cccc(O)c1CNC1(C(N)=O)CC1 1997941632 UNHFMBIRMMBJEC-UHFFFAOYSA-N 236.271 0.508 10 10 BCCE COc1cccc(O)c1CN(C)[C@@H](C)C(N)=O 1997941725 WAHMJLJLPMOSCU-QMMMGPOBSA-N 238.287 0.706 10 10 BCCE NCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1 2009638684 STSGLYGCIDQUPW-OLZOCXBDSA-N 236.315 0.467 10 10 BCCE Nc1ccc(CN2CC[C@H](N3CC(O)C3)C2)cc1 2040892427 DFDXRHHHEIKEDK-ZDUSSCGKSA-N 247.342 0.520 10 10 BCCE CN(Cc1ccc(N)cc1)C1(CC(=O)O)CNC1 2044376048 RTIXHTBLRZJHMV-UHFFFAOYSA-N 249.314 0.517 10 10 BCCE CCN1CCc2cc(N(CCN)CCN)ccc21 2044703255 SCHUGFOXNMKWLT-UHFFFAOYSA-N 248.374 0.793 10 10 BCCE CN1CCc2cc([C@H](O)[C@@H](N)C3COC3)ccc21 2044717150 CWMUUTOEYCNXCQ-KBPBESRZSA-N 248.326 0.686 10 10 BCCE CCn1nnc(CN(C)c2ccc(CN)cc2)n1 2077140001 HDUOLVCJCWMWIX-UHFFFAOYSA-N 246.318 0.788 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC1 2210542417 XJXSFELMNOYIIF-JGVFFNPUSA-N 245.308 0.758 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H]1CO 2213363549 VRIMWAQDGOYLJQ-OIBJUYFYSA-N 235.287 0.551 10 10 BCCE C[C@@H](CN(C)C)Cn1ccc2c(c1=O)CNCC2 2217835068 DSSFIVUDCVPQNX-NSHDSACASA-N 249.358 0.692 10 10 BCCE COc1ccc(N2CCN(C)CC2)c(CCN)c1 2220418541 ATLZWMCMRPRKKA-UHFFFAOYSA-N 249.358 0.948 10 10 BCCE O=C1Cc2cc(N3C[C@@H]4C[C@H](CN4)C3)ccc2N1 2222233510 SPKRKOVQIRWVDL-KOLCDFICSA-N 243.310 0.979 10 10 BCCE CN(Cc1ccc(O)c(O)c1)[C@@H]1CCNC1 70892562 AEBZPZJPZYSBAN-SNVBAGLBSA-N 222.288 0.892 10 10 BCCE COc1ccc(OC)c([C@H](N)CN)c1O 72200815 LNGMPHZDAOHLKQ-ZCFIWIBFSA-N 212.249 0.368 10 10 BCCE COc1ccc(N(C)C[C@](C)(O)C(=O)O)cc1 80211233 FEIQZOMBUPFLMD-LBPRGKRZSA-N 239.271 0.967 10 10 BCCE COC(=O)[C@@H](O)CNCc1ccccc1O 83353781 MDOLPWYCVVWDRH-JTQLQIEISA-N 225.244 0.016 10 10 BCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCOC1 90259731 XKOZXRUNILGZIX-SNVBAGLBSA-N 242.279 0.999 10 10 BCCE O=C1CCC(=O)c2c(O)c(O)cc(O)c21 100250793 WEWBEWGBGNVAJA-UHFFFAOYSA-N 208.169 0.963 10 10 BCCE COc1cccc([C@H]2N[C@@H](C)CNC2=O)c1O 212400415 SCTMZHPHZYPCDD-OIBJUYFYSA-N 236.271 0.550 10 10 BCCE N[C@H](CCO)c1c(O)ccc2c1OCCO2 212733062 PQSIVPWDYAPRFA-SSDOTTSWSA-N 225.244 0.546 10 10 BCCE CNCC(=O)c1cnc2ccn(C)c2c1 215159048 MNXHAOSEJDUTHS-UHFFFAOYSA-N 203.245 0.975 10 10 BCCE CN(C)c1ccc([C@@H]2NCCCNC2=O)cc1 223011938 VHTSVOXCGCUPPX-LBPRGKRZSA-N 233.315 0.903 10 10 BCCE Oc1c(F)cccc1CNC[C@]1(O)CCOC1 226617561 GHTUITYNVHDECV-GFCCVEGCSA-N 241.262 0.772 10 10 BCCE C[C@@H](NCc1cc(F)ccc1O)C(N)=O 226619159 BSLJPMBKNRIIPE-ZCFIWIBFSA-N 212.224 0.495 10 10 BCCE CCN1C(=O)[C@@H](CC(=O)OC)SC1=S 238268706 DNNLMYGHBYROGR-RXMQYKEDSA-N 233.314 0.798 10 10 BCCE OC[C@@]1(c2ccccc2O)COCCN1 259072422 CSKMWIXHJKQELA-NSHDSACASA-N 209.245 0.200 10 10 BCCE COC(=O)[C@@H](C)[C@H](O)c1ccc(O)c(O)c1 261137080 NUMISMFORPQVCU-WKEGUHRASA-N 226.228 0.940 10 10 BCCE [N-]=[N+]=NCCC[S@](=O)CC(=O)NC1CC1 300788802 GZMVFGSPICXKDD-HNNXBMFYSA-N 230.293 0.714 10 10 BCCE C[C@@H](CO)Oc1ccc(N2CCNCC2)cc1 302387524 MSAKXRVFAHBEHN-NSHDSACASA-N 236.315 0.856 10 10 BCCE C[C@]1(N)CCN(C(=O)c2ccc(O)c(O)c2)C1 405891958 SESXYPIBHQSYQC-LBPRGKRZSA-N 236.271 0.661 10 10 BCCE CCONC(=O)Cc1ccc(O)c(O)c1 675067342 GWZSDJWXGPQLBX-UHFFFAOYSA-N 211.217 0.708 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)c2nn[nH]n2)C1 701301307 OKENMNLMILEFIS-RXMQYKEDSA-N 222.212 0.115 10 10 BCCE OC[C@H]1C[C@@H](NCc2ccc(O)cc2O)C1 707670161 RAMPNCGCBYYLPL-WAAGHKOSSA-N 223.272 0.958 10 10 BCCE Nc1cnc(SCC(=O)C(=O)O)s1 725377461 PXAWVRJIVWNDFJ-UHFFFAOYSA-N 218.259 0.471 10 10 BCCE O=C(Cn1cncn1)NCc1c(O)cccc1O 1304050096 IYOWYXKICDCEBR-UHFFFAOYSA-N 248.242 0.006 10 10 BCCE CNC[C@@H]1CN(C)C[C@@H]1c1ccc(O)c(O)c1 1614809059 WDTJDWAIGPGYKP-GHMZBOCLSA-N 236.315 0.962 10 10 BCCE C[C@@]1(O)CCN(CCN=[N+]=[N-])C[C@H]1O 1894990945 HWNLGRFIKOOGHO-HTQZYQBOSA-N 200.242 0.114 10 10 BCCE COc1ccc(N2C[C@@H](N)[C@H](OC)C2)cc1 1895726185 MFXCWKIJGBJHDZ-VXGBXAGGSA-N 222.288 0.858 10 10 BCCE COc1ccc(N2CC[C@@H](CO)[C@H](N)C2)cc1 1907962773 RSEKXCLCZFSBAK-GXFFZTMASA-N 236.315 0.841 10 10 BCCE CN(C)[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1O 1912198792 KTWUAUYLNWFCDP-RKDXNWHRSA-N 213.285 0.294 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)Cn2cnnc2)C1 1912210406 JDCUSHXKFBOUSI-VIFPVBQESA-N 249.278 0.827 10 10 BCCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1CC(O)C1 1914590470 MRCXHWHDXLURLX-KWPJZBAWSA-N 247.298 0.598 10 10 BCCE CCc1c(C(=O)[C@H]2CCCC(=O)C2=O)nnn1C 1923547573 YNMWRXYXCWDMFB-ZETCQYMHSA-N 249.270 0.499 10 10 BCCE CN[C@H](c1cnn[nH]1)c1ccccc1O 1928473322 ZXSUXNKSONZELE-JTQLQIEISA-N 204.233 0.819 10 10 BCCE NC(=O)[C@@H](Nc1ccccc1N)C1CC1 1932377585 LPBGBMZPCFSYCD-JTQLQIEISA-N 205.261 0.945 10 10 BCCE C[C@H]1NC(=O)N(Cc2ccc(N)cc2)C1=O 1939878613 QMCUCMXAGUXPFW-SSDOTTSWSA-N 219.244 0.709 10 10 BCCE 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211.217 0.881 10 10 BCCE NC[C@@](O)(c1ccc(O)c(O)c1)C(F)(F)F 215583715 VLYRCGYUWYZWHO-MRVPVSSYSA-N 237.177 0.806 10 10 BCCE [N-]=[N+]=NCCCCNC(=O)c1c[nH]c(=O)[nH]1 231730902 SCOBRHGTYHTQEY-UHFFFAOYSA-N 224.224 0.523 10 10 BCCE COc1cc(C)c2c(c1)[C@H](O)[C@@H](N)CN2C 250963928 VQKWRRVPAGARTB-JQWIXIFHSA-N 222.288 0.814 10 10 BCCE CO[C@H]1OC[C@@H](OC)[C@H](N=[N+]=[N-])[C@@H]1N 306763158 YGLWWFQMFWNJFF-BWBBJGPYSA-N 202.214 0.010 10 10 BCCE OCCc1ccc(O)c([C@@H]2CNCCN2)c1 309373840 GHQODWGWPOPDNX-NSHDSACASA-N 222.288 0.161 10 10 BCCE CN1C(=O)CN[C@@H]1c1cc(O)ccc1O 389919741 PPNHUMOALMZCTF-JTQLQIEISA-N 208.217 0.158 10 10 BCCE CCN1C(=O)CN[C@H]1c1ccccc1O 389940617 OLXHOEPMNRVXMS-LLVKDONJSA-N 206.245 0.843 10 10 BCCE Nc1ccc(CN2CCOC[C@H](O)C2)cc1 399969354 XBXNHHXCAAWKRR-GFCCVEGCSA-N 222.288 0.462 10 10 BCCE C[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722440813 RAXNOLFOOVUAQC-RFAUZJTJSA-N 229.301 0.387 10 10 BCCE N[C@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 1236016476 CPTFWNOPMCGAQB-SKDRFNHKSA-N 220.272 0.631 10 10 BCCE OCc1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)cc1 1898252369 VKLXQLPVJJYESQ-CYZMBNFOSA-N 219.284 0.996 10 10 BCCE COc1cccc(CN2CCN[C@@H]3C[C@@H]32)c1O 1906868115 CNILFLQWAZSCSM-MNOVXSKESA-N 234.299 0.947 10 10 BCCE COc1cc(C(=O)N(C)CCN=[N+]=[N-])nn1C 1912210648 MCACWHPRWKODSN-UHFFFAOYSA-N 238.251 0.811 10 10 BCCE CS(C)(=O)=NCC(=O)Nc1ccc(N)cc1 1913532223 MFCGRQSJXYRKGO-UHFFFAOYSA-N 241.316 0.935 10 10 BCCE CN[C@@H](c1ccccc1O)C1(O)COC1 1929437237 CFMDQSMDZKJILK-JTQLQIEISA-N 209.245 0.414 10 10 BCCE CCn1nc(C)cc1[C@H](O)C(=O)C(C)=O 1934299173 NYXMUVVRUHWURP-JTQLQIEISA-N 210.233 0.403 10 10 BCCE Oc1ccccc1CNC[C@H]1COC[C@H]1O 1939165562 BXISVWABKOAWKG-CMPLNLGQSA-N 223.272 0.489 10 10 BCCE OCc1ccc(N2CCCC2(CO)CO)cc1 1942233635 RVQAALVAEFXDGK-UHFFFAOYSA-N 237.299 0.503 10 10 BCCE COCC(=O)[C@H](O)c1ccc2c(c1)CCN2C 1943225327 HJJWTMUSQUIYFC-CYBMUJFWSA-N 235.283 0.928 10 10 BCCE NCCCONC(=O)Cc1ccc(N)cc1 1963542647 VKOJCMCLSIOZRV-UHFFFAOYSA-N 223.276 0.208 10 10 BCCE CN[C@H](C)CNC(=O)Nc1ccc(N)cc1 1989307806 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[N-]=[N+]=NCCCCNC(=O)[C@@H]1CCC(=O)N1 231731605 IXKULFQAHAACGD-ZETCQYMHSA-N 225.252 0.472 10 10 BCCE CNC(=O)[C@H](C)N[C@@H](C)c1c(O)cccc1O 234349374 RVZGENDAPYPTNV-YUMQZZPRSA-N 238.287 0.883 10 10 BCCE [N-]=[N+]=N[C@H]1[C@@H](n2ccc(O)nc2=O)CC[C@H]1O 255985420 LJUOGJWJLRLDLR-BBVRLYRLSA-N 237.219 0.324 10 10 BCCE CCc1cccc(CN[C@H]2COC[C@@H]2O)c1O 691436571 HUUVBLKPLVDGDI-RYUDHWBXSA-N 237.299 0.804 10 10 BCCE Cc1ccc(O)c(CN[C@H]2CCNC2=O)c1 693951993 DRNDIKBSPZWCSV-JTQLQIEISA-N 220.272 0.679 10 10 BCCE Cn1cc(C[C@H](O)CCc2ccc(N)cc2)nn1 695848225 FTBBMVUBNMGHDF-CYBMUJFWSA-N 246.314 0.934 10 10 BCCE Cc1cc(N2C[C@H](O)C[C@@H]2CO)ccc1CN 698180958 NEJPYFDWGJQVAD-CHWSQXEVSA-N 236.315 0.386 10 10 BCCE Cc1cc(N(C)[C@H]2COC[C@@H]2O)ccc1CN 709396135 AHMAYUFZRHBVKW-STQMWFEESA-N 236.315 0.650 10 10 BCCE CCCc1nnc(SCC(=O)C(C)=O)n1N 808054540 ZDMOSPFLUQSWCT-UHFFFAOYSA-N 242.304 0.195 10 10 BCCE C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1CN 877160416 LBCSBYAHKLJDPH-PWSUYJOCSA-N 247.342 0.865 10 10 BCCE 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VYMKSKUGPSITHX-IUCAKERBSA-N 214.269 0.362 10 10 BCCE [N-]=[N+]=NCC1CCN([C@@H]2COC[C@@H]2O)CC1 1912201236 RKBRWBNGBHTSNQ-ZJUUUORDSA-N 226.280 0.768 10 10 BCCE CN(C)C(=O)CCN1C(=O)CSC1=S 1865765839 MTBHJBOYMDGJKL-UHFFFAOYSA-N 232.330 0.325 10 10 BCCE Cc1ccc(O)c([C@@H](C(=O)O)N(C)CCO)c1 211848877 YWIXYYLDPNQFGH-NSHDSACASA-N 239.271 0.750 10 10 BCCE O=C(NCc1c(O)cccc1O)c1nc[nH]n1 1635847373 MZCFWJYFSUWLGD-UHFFFAOYSA-N 234.215 0.146 10 10 BCCE CC(=O)C(=O)[C@](C)(O)c1cncc(F)c1 1929195401 FZFWVCKZPZGIEK-SNVBAGLBSA-N 211.192 0.586 10 10 BCCE CC(=O)NC[C@H]1CN(c2ccc(N)cc2)C(=O)O1 26569896 RNDLILOZVAGLNU-NSHDSACASA-N 249.270 0.730 10 10 BCCE C[C@H](NCc1ccc(O)c(O)c1)C(N)=O 35148865 ZZCFUJMYSKKTRE-LURJTMIESA-N 210.233 0.061 10 10 BCCE CN(C)[C@@H]1CN(c2ccc(CO)cc2)C[C@H]1O 1942267628 RBSHUYGZUPMKGV-CHWSQXEVSA-N 236.315 0.290 10 10 BCCE CN(C)C[C@](C)(O)CNCc1ccc(N)cc1 1944074547 HQROXMKKTDJHNN-CYBMUJFWSA-N 237.347 0.671 10 10 BCCE CN1CCO[C@H](CNCc2ccc(N)cc2)C1 1944073626 AKNRTGPYKHACIO-CYBMUJFWSA-N 235.331 0.689 10 10 BCCE OCC1(CNCc2c(O)cccc2F)COC1 1964040051 SPPKTANLXKAGHU-UHFFFAOYSA-N 241.262 0.630 10 10 BCCE Oc1ccccc1CNCC[C@@H]1COC[C@H]1O 2002391211 JSTPFBZCJWAABW-DGCLKSJQSA-N 237.299 0.879 10 10 BCCE [N-]=[N+]=NCCCCN1CC(CNC(N)=O)C1 1987413793 AVWLLBOPBJNJAP-UHFFFAOYSA-N 226.284 0.677 10 10 BCCE CC1(C)[C@H](N)[C@@H]1C(=O)NCc1ccccc1O 1998069718 GNFRJIZZAVOXBS-GHMZBOCLSA-N 234.299 0.992 10 10 BCCE CN1CCc2cc([C@@H](N)c3nncn3C)ccc21 2037112295 APLJRHIUJZSKRR-GFCCVEGCSA-N 243.314 0.856 10 10 BCCE Cn1nnc(C(=O)O)c1-c1ccc(O)c(O)c1 76681619 LSFOETOISUNTKW-UHFFFAOYSA-N 235.199 0.592 10 10 BCCE C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 706133977 UYAZBUKMPVDUPH-BQBZGAKWSA-N 240.267 0.345 10 10 BCCE Cc1ccc(CN[C@H]2CCOC[C@H]2O)c(O)c1 877658012 LIBIOYRHHSUPAE-WCQYABFASA-N 237.299 0.940 10 10 BCCE C[C@@H](c1ccccc1O)N1C[C@@H](O)CC12CNC2 2066537285 IRHPZJXXJIFYKI-QWRGUYRKSA-N 248.326 0.862 10 10 BCCE Nc1ccc(OCC(=O)N2CCN[C@@H]3C[C@H]32)cc1 2071705773 IGTSSVCMSYUMER-VXGBXAGGSA-N 247.298 0.220 10 10 BCCE O=C(N[C@@]12CCNC[C@@H]1C2)c1ccc(O)c(O)c1 2076872480 OXRSQWBJQJECDA-TVQRCGJNSA-N 248.282 0.580 10 10 BCCE OC[C@H]1C[C@@H](O)CN1c1ccc2c(c1)CCCO2 2219465817 QOWREIMQPCURQB-CHWSQXEVSA-N 249.310 0.944 10 10 BCCE Nc1ccc(N2CC[C@@H](O)[C@H](O)CC2)cc1 2243774397 AIETUHOHGKYRFL-VXGBXAGGSA-N 222.288 0.591 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@]23COC[C@H](C2)C3)C1 2245078267 DKVUOYWQOKFTER-GVJMRKKJSA-N 222.248 0.934 10 10 BCCE COc1ccc(N2CCOC3(CNC3)C2)c(N)c1 2260042619 AFHWUIFLJSZNTK-UHFFFAOYSA-N 249.314 0.456 10 10 BCCE OCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1C1CC1 2317058964 CVPDTAJTDMWBRH-KBPBESRZSA-N 249.310 0.598 10 10 BCCE Cc1c(N)ccc(COc2nnc(=N)[nH]n2)c1C 2320055347 FFRBVIDVNAIZAM-UHFFFAOYSA-N 246.274 0.457 10 10 BCCE Cn1nccc1C(=O)NCc1ccc(N)cc1 61665318 LRGMQIDGPVYIRK-UHFFFAOYSA-N 230.271 0.932 10 10 BCCE N[C@@H](Cc1ccc(O)c(O)c1)c1nnco1 83350993 IBIQBYLLNPRTMY-ZETCQYMHSA-N 221.216 0.723 10 10 BCCE Cc1cccc([C@@H](N)C(=O)NC[C@H](C)O)c1O 83365918 WOQSEGIFLLYPBI-WCBMZHEXSA-N 238.287 0.197 10 10 BCCE CN1CCN(CCOc2ccc(N)cc2)CC1=O 84198050 KYZIYCSGRKVOFQ-UHFFFAOYSA-N 249.314 0.422 10 10 BCCE CSCC[C@H](NCCCN=[N+]=[N-])C(N)=O 85225371 CQYJXDYXRXZLST-ZETCQYMHSA-N 231.325 0.883 10 10 BCCE Nc1ccc(N2C(=O)[C@@H]3C[C@H]3C2=O)cc1F 127079869 MFYHXUIFMFAYCD-RNFRBKRXSA-N 220.203 0.917 10 10 BCCE NCc1cc(F)c(N(CCO)CCO)c(F)c1 133574942 SSRFMFKDPOUUFS-UHFFFAOYSA-N 246.257 0.215 10 10 BCCE COc1ccc2c(c1)NC(=O)CN2[C@@H](C)CO 211647090 NMWZVCZZFJUAJO-QMMMGPOBSA-N 236.271 0.835 10 10 BCCE N[C@@H](C(=O)O)c1cc([N+](=O)[O-])c(F)cc1O 220857055 DIQLNJYSJVBOEB-SSDOTTSWSA-N 230.151 0.524 10 10 BCCE COC(=O)[C@H](C)NC(=O)c1ccc(O)c(O)c1 234534030 JMAVEJWOSRMRAF-LURJTMIESA-N 239.227 0.389 10 10 BCCE C[C@H](N[C@@H](C)c1c(O)cccc1O)C(N)=O 235507496 RKKYYXYBKYDJHX-BQBZGAKWSA-N 224.260 0.622 10 10 BCCE COc1cccc([C@H]2CC(=O)NC(N)=N2)c1 238410993 RKCBYQZTCPJNKA-SECBINFHSA-N 219.244 0.571 10 10 BCCE CN1[C@H]2C[C@H]1C(=O)N(c1ccc(N)cc1)C2 250590909 HJPUSUBWFCFEDR-QWRGUYRKSA-N 217.272 0.688 10 10 BCCE COc1ccc2c(c1)[C@@H]([C@@H](O)CN)CCN2C 250648031 VYWPTXVTVJTIGN-GWCFXTLKSA-N 236.315 0.938 10 10 BCCE CC(=O)[C@H](N)c1cc(CC(=O)O)ccc1O 309148512 DCNLNENSUXXKFZ-NSHDSACASA-N 223.228 0.608 10 10 BCCE CN(CCC(N)=O)C(=O)Nc1ccc(N)cc1 382075610 IMRFKXOJVMNHSN-UHFFFAOYSA-N 236.275 0.608 10 10 BCCE CC[C@@H](NCc1ccc(OC)cc1O)C(N)=O 383169030 GFWJZSFYBUFCOB-SNVBAGLBSA-N 238.287 0.754 10 10 BCCE CN(CCCCO)C(=O)c1ccc(O)c(O)c1 384786026 PTUUHKWYEYEHQK-UHFFFAOYSA-N 239.271 0.942 10 10 BCCE O=C(c1cccc(O)c1O)N1CC=CCN1 705220600 CJFJJHBUYCWKQN-UHFFFAOYSA-N 220.228 0.614 10 10 BCCE NCC1(NC(=O)c2cc(O)nc(O)c2)CCC1 705686485 BEOVZKFUMIXOPR-UHFFFAOYSA-N 237.259 0.104 10 10 BCCE N[C@H](c1cc(F)c(F)cc1O)[C@@H](O)C(=O)O 713753813 HIZYJLOIDBYJCM-HTQZYQBOSA-N 233.170 0.116 10 10 BCCE Cc1ccc(C(=O)NCc2cnn[nH]2)c(O)c1O 780964989 YPLOIRNVBLOCMG-UHFFFAOYSA-N 248.242 0.454 10 10 BCCE O=C(c1cccc(O)c1O)N1CCOC1 854807042 KFDPZBUJRHGFPE-UHFFFAOYSA-N 209.201 0.528 10 10 BCCE C[C@H](O)CNC(=O)[C@H](C)Oc1ccc(N)cc1 1860080694 MSYDVTPQXQDOPG-IUCAKERBSA-N 238.287 0.533 10 10 BCCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1ncc[nH]1 1900606106 ADEALBQUZDLIQZ-UHFFFAOYSA-N 244.280 0.731 10 10 BCCE CC(=O)NCC(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912167443 KUYPCDYXDCKALG-MRVPVSSYSA-N 225.252 0.281 10 10 BCCE COCC1CC(NCCN=[N+]=[N-])(C(=O)OC)C1 1912179881 YLASSTJWYNHHGM-UHFFFAOYSA-N 242.279 0.855 10 10 BCCE [N-]=[N+]=NCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]21 1912198078 BZNBMXVGTBJCMV-BDAKNGLRSA-N 244.320 0.806 10 10 BCCE CC(=O)C(=O)[C@@](C)(O)[C@H]1CCCCO1 1929235664 AFUSGAGWWSJSLH-SCZZXKLOSA-N 200.234 0.465 10 10 BCCE O=C(CCCO)NCCc1ccc(O)c(O)c1 1943634210 KWWBBYBVTSFYHX-UHFFFAOYSA-N 239.271 0.529 10 10 BCCE NOCCc1nc(-c2ccc(O)c(O)c2)no1 1950957096 MJNYHQHODHIPKD-UHFFFAOYSA-N 237.215 0.581 10 10 BCCE NC[C@@]1(F)C[C@H]1c1ccc(O)c(O)c1O 1952672304 ZNUYSWADPLNPHS-WKEGUHRASA-N 213.208 0.958 10 10 BCCE C[S@@](=O)C1CN(CCCN=[N+]=[N-])C1 1954065784 BPVOUUXZKXPQDK-CYBMUJFWSA-N 202.283 0.750 10 10 BCCE CO[C@@H](CO)CNCc1ccc(F)c(F)c1O 1971696621 HVTAZRMRZAIMGW-MRVPVSSYSA-N 247.241 0.767 10 10 BCCE CN(C=O)[C@H](C(=O)O)c1c(O)cccc1F 1976874453 WNMCIGKFQSOFPQ-VIFPVBQESA-N 227.191 0.745 10 10 BCCE Nc1cc(=NCc2ccccc2O)[nH]cn1 1981865451 LDRPEFWWZLOAAN-UHFFFAOYSA-N 216.244 0.798 10 10 BCCE [N-]=[N+]=NCCCCN1CCC[C@](O)(CN)C1 1982241757 JGCFEJJWOJPDLQ-JTQLQIEISA-N 227.312 0.863 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@]1(O)CCOC1 1984485646 PARQTCUFCXUBIL-VHSXEESVSA-N 226.280 0.913 10 10 BCCE [N-]=[N+]=NCCCCN1CCC[C@H]1[C@H](O)CO 1984650195 VBNLPJKUGCESKL-VHSXEESVSA-N 228.296 0.895 10 10 BCCE CCCOc1ccc(N2CC(O)(CN)C2)cc1 1999208073 XYYWBFFVPAGNSL-UHFFFAOYSA-N 236.315 0.985 10 10 BCCE C[C@H](O)[C@@H]1CCN1C(=O)c1cccc(O)c1O 1999879806 ZWJQUAXNGDQCHP-CBAPKCEASA-N 237.255 0.693 10 10 BCCE N[C@@H]1[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 2000283413 AWZJTMTWVBNATE-DIYOJNKTSA-N 234.255 0.127 10 10 BCCE CN(C)c1ccc([C@@H](CN)NC2COC2)cc1 2000983711 KXMCJFDMKMRYNU-CYBMUJFWSA-N 235.331 0.741 10 10 BCCE Nc1ccccc1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2001617121 CYVIQYILRBIBOC-LETXAGFBSA-N 234.299 0.811 10 10 BCCE CNCC[C@@H](C)NC(=O)c1cccc(O)c1O 2002727423 RDVICESEFQCWPB-MRVPVSSYSA-N 238.287 0.826 10 10 BCCE N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2005900089 VTVGDGGQOAMVQF-VRGHXPGPSA-N 236.315 0.235 10 10 BCCE Nc1ccc(O[C@H]2C[C@H]3CNCCN3C2)cc1 2021711758 UOSVRUXSVKDSBT-AAEUAGOBSA-N 233.315 0.694 10 10 BCCE N[C@H](c1ccccc1O)[C@]1(O)CN2CCC1CC2 2031154247 PAVPZZFCAMKDFP-KGLIPLIRSA-N 248.326 0.849 10 10 BCCE O=c1c2c(ccn1Cc1cncnc1)CCNC2 2058461076 WJUSWHBGIRMTAA-UHFFFAOYSA-N 242.282 0.332 10 10 BCCE CCn1nnnc1CN(C)c1ccc(CO)cc1 2075479716 SALIYDZYZOHQNY-UHFFFAOYSA-N 247.302 0.822 10 10 BCCE O[C@H]1CN(c2ccc3c(c2)CCCO3)C[C@H]1O 2214105431 PUQGDGSIMYDLGA-TXEJJXNPSA-N 235.283 0.553 10 10 BCCE COc1ccc(N2CC(CO)(CO)C2)c(F)c1 2214218990 LDMPZWYBHAZDQO-UHFFFAOYSA-N 241.262 0.625 10 10 BCCE Oc1cc2c(cc1O)CN(c1nccnn1)CC2 2318655416 PZYQGDLTZRLZMQ-UHFFFAOYSA-N 244.254 0.846 10 10 BCCE CN(CCO)c1ccc([C@H](N)CCO)cc1 44234197 XHTDKTPKIJBLSY-GFCCVEGCSA-N 224.304 0.497 10 10 BCCE N[C@H](C(=O)O)c1ccc(N2CCOCC2)cc1 72196483 SMKDWKYTXJUCCD-NSHDSACASA-N 236.271 0.608 10 10 BCCE CCOc1cc(CO)cc([C@H](N)CO)c1O 72198606 UTLDZLPENYXBJT-SECBINFHSA-N 227.260 0.275 10 10 BCCE O=C(O)C1(c2ccc(O)c(O)c2)COC1 76642788 QLGZZQOGVQUNBN-UHFFFAOYSA-N 210.185 0.450 10 10 BCCE NC(=O)Cn1ccnc1Cc1ccc(N)cc1 82734754 VJZFRMFHHHAYLL-UHFFFAOYSA-N 230.271 0.541 10 10 BCCE Cn1c(C(=O)O)nc2cc(O)c(O)cc21 84305027 YRPWGURXGOWNMR-UHFFFAOYSA-N 208.173 0.683 10 10 BCCE COc1ccc(N(C)Cc2nnn[nH]2)cc1 95313480 XYTXCADJZOCFKE-UHFFFAOYSA-N 219.248 0.845 10 10 BCCE Nc1ccc(OCCn2cnccc2=O)cc1 111400688 DRUUARVSKXOHFK-UHFFFAOYSA-N 231.255 0.905 10 10 BCCE Cn1ccc(CNC(=O)c2ccc(O)c(O)c2)n1 227052038 GGHVZVGJWIMELV-UHFFFAOYSA-N 247.254 0.761 10 10 BCCE CC(C)NS(=O)(=O)NCCCCN=[N+]=[N-] 231733414 NOCYZUUXEBGNAS-UHFFFAOYSA-N 235.313 0.909 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1cccc(=O)[nH]1 236400757 ZGTBKKJRGDIUEX-UHFFFAOYSA-N 207.193 0.415 10 10 BCCE Cc1ccc(O)c([C@H]2COCC(=O)N2)c1 238530775 YTSNVDZIWIBNLG-SECBINFHSA-N 207.229 0.888 10 10 BCCE Nc1ccc(N2C(=O)OC[C@]23CCNC3)cc1 257933819 FMUBDZKTXYWGCO-GFCCVEGCSA-N 233.271 0.958 10 10 BCCE CCOC(=O)[C@H](N)c1cc(C)c(O)cc1O 261148021 QVGARDRLCIKSNA-SNVBAGLBSA-N 225.244 0.969 10 10 BCCE NC(=O)C[S@@](=O)CCCc1ccc(N)cc1 304393301 AIPMDIXHZJLVLB-INIZCTEOSA-N 240.328 0.435 10 10 BCCE Nc1ccc2c(c1O)[C@](N)(C(=O)O)CCC2 309544151 HZYQVYPTPXBAQS-NSHDSACASA-N 222.244 0.549 10 10 BCCE CN(c1ccc(CN)cc1)[C@@H]1CCNC1=O 691539350 QFWHIURDZHTDBC-LLVKDONJSA-N 219.288 0.470 10 10 BCCE CN(c1ccc(N)cc1)[C@@H]1CCNC1=O 691586896 NUDDBDBFGUQHAH-SNVBAGLBSA-N 205.261 0.594 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)NC1CC1 692908815 FZVNYAKQHJMIKK-QMMMGPOBSA-N 245.308 0.758 10 10 BCCE Cc1ccc(O)c(CN[C@H]2COCC[C@H]2O)c1 710859829 IRJSLJUXWQNNSY-WCQYABFASA-N 237.299 0.940 10 10 BCCE C[C@H](C(N)=O)N(C)Cc1cccc(F)c1O 711111539 FEHTXWQVYMSVDI-SSDOTTSWSA-N 226.251 0.837 10 10 BCCE O=C(Cn1cncn1)N1Cc2cccc(O)c2C1 871199118 SPLRGDZCHJPGAO-UHFFFAOYSA-N 244.254 0.526 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1 1899393998 UHWXBUAIVRJEIT-GHMZBOCLSA-N 223.272 0.627 10 10 BCCE CCN(CCN=[N+]=[N-])CCc1cn(C)nn1 1900607607 OLGQRZNJTTZUDW-UHFFFAOYSA-N 223.284 0.990 10 10 BCCE OCC[C@@H](O)CCNCc1ccccc1O 1904697375 CPSQVTDJKVYAHN-NSHDSACASA-N 225.288 0.615 10 10 BCCE NC(=O)N1CC(NC(=O)Nc2ccc(N)cc2)C1 1917791364 JLXPVWXWYFATFF-UHFFFAOYSA-N 249.274 0.153 10 10 BCCE CC(=O)C(=O)[C@H](O)c1cn(C(C)C)nn1 1929230752 KIYJFIKXPIAPJP-SECBINFHSA-N 211.221 0.051 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(S(N)(=O)=O)CC1 1934380053 APPHAQFGMNIRIW-ZCFIWIBFSA-N 219.270 0.355 10 10 BCCE CN1CCC[C@H](N(C)CCN=[N+]=[N-])C1=O 1935378238 VZVYUISKWMBWFE-QMMMGPOBSA-N 211.269 0.849 10 10 BCCE C[C@H](N[C@@H]1CC(=O)NC1=O)c1ccccc1O 1947010014 GFUQKCHGJRWMQI-IONNQARKSA-N 234.255 0.458 10 10 BCCE CN1CCNC[C@H]1c1c(O)cccc1[N+](=O)[O-] 1952665031 TXVKJFILQVNHOH-VIFPVBQESA-N 237.259 0.877 10 10 BCCE CC(=O)C(=O)[C@@]1(O)C[C@H](C)N(C)[C@H](C)C1 1957720597 ZQQHQKNIENRROO-VROVMSAKSA-N 213.277 0.378 10 10 BCCE CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C(F)F 1975183779 JOFKLAXQHXLVMQ-ZETCQYMHSA-N 221.211 0.786 10 10 BCCE Oc1ccc(CN[C@H]2[C@H]3OCC[C@@H]32)c(O)c1O 2007559459 KPTOEDPCILECSE-GMEUVTARSA-N 237.255 0.680 10 10 BCCE C[C@H](c1ccccc1O)N(C)[C@H](CN)C(=O)O 2017500792 AYEIQVBEOIKXKH-PSASIEDQSA-N 238.287 0.797 10 10 BCCE CO[C@H]1CN(Cc2ccc(C)cc2O)C[C@@H]1N 2024815160 TWUXLKDFAQJCFE-AAEUAGOBSA-N 236.315 0.859 10 10 BCCE CN1C[C@H](O)[C@H](NCc2ccc(F)cc2O)C1 2024901100 CNDWXOXFRKGJLT-PWSUYJOCSA-N 240.278 0.296 10 10 BCCE NC(=O)NCCNCc1ccc2c(c1)CCCO2 2027291990 PYWQVMCNUQCCMW-UHFFFAOYSA-N 249.314 0.770 10 10 BCCE CCn1[nH]cnc1=NCCOc1ccc(N)cc1 2044157511 WPQPZQKGFLKLNW-UHFFFAOYSA-N 247.302 0.793 10 10 BCCE C[C@@H](O)c1ccc(N2CC3(CNC(=O)N3)C2)cc1 2057541144 YSDFWBPFLIFWLV-SECBINFHSA-N 247.298 0.612 10 10 BCCE C[C@H](O)[C@@H]1CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2061816916 FRBDZCXJGHQEPB-QILRFPOHSA-N 247.298 0.598 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 2218745740 RZIDTFXMFOZALS-RQJHMYQMSA-N 248.246 0.731 10 10 BCCE OC[C@@H]1NC[C@@H]2CN(Cc3ccccc3O)C[C@@H]21 2220107875 CXKKBKXTTMXQDX-AGIUHOORSA-N 248.326 0.404 10 10 BCCE C[C@@H](c1ccccc1O)N(C)C[C@@H](N)CO 2244261765 KVTLCNASYYCOKD-VHSXEESVSA-N 224.304 0.705 10 10 BCCE O=C1C[C@H](NCc2ccc(O)cc2O)CO1 2246294586 YGTSUXDPAWFKBG-QMMMGPOBSA-N 223.228 0.503 10 10 BCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1F 2249550872 CAKLYGIZMASBIA-RYUDHWBXSA-N 240.278 0.216 10 10 BCCE Nc1ccc(NC[C@H]2CN[C@H]3CCN2C3)cc1 2303255281 WFNNKVGBDSPICE-STQMWFEESA-N 232.331 0.727 10 10 BCCE COC(=O)[C@H](O)Cc1ccc(O)c(O)c1 13341252 NMAOZVAEJYOPOF-SECBINFHSA-N 212.201 0.174 10 10 BCCE endogenous,in-man NC[C@H](O)c1cc(F)c(O)c(O)c1F 13834248 JLFJXILSJPVQAB-YFKPBYRVSA-N 205.160 0.368 10 10 BCCE O=C(O)CCCNC(=O)c1cc(O)nc(O)c1 19482853 QBOXRIXOBOUKSW-UHFFFAOYSA-N 240.215 0.087 10 10 BCCE CC(=O)O[C@H]1C[C@@H](N=[N+]=[N-])[C@H](CO)O1 36456306 LEBRIOCJXZGPHG-DSYKOEDSSA-N 201.182 0.336 10 10 BCCE CCCS(=O)(=O)NCc1cc(N)ccc1O 36742820 DCRDHXUGTNGCAF-UHFFFAOYSA-N 244.316 0.804 10 10 BCCE COC[C@H](O)CNCc1ccc(OC)cc1O 71265706 NRCZAEAQYXOSLE-SNVBAGLBSA-N 241.287 0.498 10 10 BCCE CN(C)c1ccc([C@H]2CC(=O)NCCN2)cc1 71536991 HQJCXUHXPZZRQE-GFCCVEGCSA-N 233.315 0.903 10 10 BCCE NC[C@@H](N)c1cc([N+](=O)[O-])c(F)cc1O 72200891 JNUWDBIHLLMXPT-ZCFIWIBFSA-N 215.184 0.398 10 10 BCCE CCOC(=O)[C@H](CN)Cc1ccc(N)cc1 76159972 NQZGTCMZYPKSIM-JTQLQIEISA-N 222.288 0.949 10 10 BCCE CC[C@@H](CO)NCc1ccc(O)c(O)c1O 83355268 OONXBOJXRMEEGS-QMMMGPOBSA-N 227.260 0.664 10 10 BCCE COc1ccc(O)c([C@H](N)c2nnc(C=O)o2)c1 83379986 HWBKQFMQTOXYHZ-JTQLQIEISA-N 249.226 0.644 10 10 BCCE C[C@H]1CN(c2ccc3c(c2)CC(=O)N3)CCN1 84512930 ANQPAFPKFJCQEW-VIFPVBQESA-N 231.299 0.979 10 10 BCCE COc1cccc(CNC[C@@](C)(O)CO)c1O 90284758 UXNRLWFIHFRKEI-GFCCVEGCSA-N 241.287 0.234 10 10 BCCE NC(=O)CNCc1cccc(Cl)c1O 159150219 LMXUJISPAOAGJO-UHFFFAOYSA-N 214.652 0.621 10 10 BCCE Cc1cccc(CNCCNC(N)=O)c1O 165177649 ASUPXEMFCGNYOQ-UHFFFAOYSA-N 223.276 0.459 10 10 BCCE Nc1ccc(Cc2nc(C(=O)O)no2)cc1 166316194 QVSRMJJRMNMSHQ-UHFFFAOYSA-N 219.200 0.941 10 10 BCCE CC(=O)O[C@@H]1C[C@@H](N=[N+]=[N-])[C@@H](CO)O1 238068806 LEBRIOCJXZGPHG-QYNIQEEDSA-N 201.182 0.336 10 10 BCCE Cc1cc(C(=O)O)c(O)c(O)c1C(=O)O 238527183 GVTJFVIVWMNPKD-UHFFFAOYSA-N 212.157 0.803 10 10 BCCE Oc1ccc(CNCc2nnco2)cc1O 310041760 YYLNNMGMJFRYGX-UHFFFAOYSA-N 221.216 0.771 10 10 BCCE CCN(C(=O)CNC(C)=O)c1ccc(N)cc1 310179642 NDZQCOCOHSENGP-UHFFFAOYSA-N 235.287 0.758 10 10 BCCE Nc1ccc(CC(=O)OCCn2cncn2)cc1 310849830 AJDJTMXLCQGNIY-UHFFFAOYSA-N 246.270 0.646 10 10 BCCE CN(C)c1ccc2c(c1)NC(=O)[C@]2(C)N 713749901 RVFGGTZAJZOCIQ-LLVKDONJSA-N 205.261 0.879 10 10 BCCE C[C@H](O)C1=N/C(=C2/C=S=NC2)SC1 725594834 UECQMBBDLIBNEK-JCVXODEMSA-N 214.315 0.849 10 10 BCCE CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1C(F)F 808546926 CNOHGYKEAOIHHQ-WDSKDSINSA-N 220.171 0.589 10 10 BCCE C[C@@H](N)[C@@H](C)NC(=O)Cc1ccc(N)cc1 834822945 ZYHSQENWIYFXEY-RKDXNWHRSA-N 221.304 0.663 10 10 BCCE O=C1CC(C(=O)O)(c2ccc(O)c(O)c2)C1 1535865777 MIDJOLTVAHQOBG-UHFFFAOYSA-N 222.196 0.783 10 10 BCCE C[C@H](O)C(=O)NCc1cc(O)ccc1O 1593872745 CHOBRTZIBYXZNZ-LURJTMIESA-N 211.217 0.095 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@@H](O)CO 1885285500 FSRIDNJWKDBTIG-JGVFFNPUSA-N 200.242 0.114 10 10 BCCE CCC[C@@H](N)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1895031679 LRWSXEFCSCWJBW-OPRDCNLKSA-N 226.320 0.770 10 10 BCCE C[C@@H]1[C@@H]2OCC[C@@H]2[C@@]1(NCCN=[N+]=[N-])C(=O)O 1912153461 BOVAEGRICHXWSY-CHIQAWFVSA-N 240.263 0.765 10 10 BCCE C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912166653 ZZFPIDFKRHDBQP-YIZRAAEISA-N 240.263 0.702 10 10 BCCE COC[C@]1(C(=O)N2CC(N=[N+]=[N-])C2)CCCO1 1912204871 YSVUDEPWEJUAND-JTQLQIEISA-N 240.263 0.703 10 10 BCCE Cn1ccc(C(=O)N2CC(N=[N+]=[N-])C2)n1 1912206866 LDBDGKULXSYKTA-UHFFFAOYSA-N 206.209 0.555 10 10 BCCE CN(C)C(=O)CN1CC[C@H](CN=[N+]=[N-])C1 1912210522 KPARTYZLRBFKHQ-MRVPVSSYSA-N 211.269 0.707 10 10 BCCE Cn1ccc(C(=O)[C@H]2CCC(=O)C2=O)n1 1932573060 CZVNUOKZMRVFBX-ZCFIWIBFSA-N 206.201 0.151 10 10 BCCE NC(=O)[C@@H]1CCN1c1ccc(CO)c(Cl)c1 1936591536 RWLCKQDZJFCZGC-JTQLQIEISA-N 240.690 0.896 10 10 BCCE Nc1ccc(CN2C[C@H](CO)C[C@H]2CO)cc1 1942227359 HMJJDNNPHQVTJW-YPMHNXCESA-N 236.315 0.444 10 10 BCCE NCc1ccc(N2C[C@H]3C(CO)[C@@H]3C2)cc1F 1943068740 RUXHGDPSHZZMCG-GHMZBOCLSA-N 236.290 0.959 10 10 BCCE COC[C@@H](CN)NCc1ccc2c(c1)CCO2 1947029549 QYVIGHLEATWCQO-GFCCVEGCSA-N 236.315 0.685 10 10 BCCE Nc1c[nH]nc1Cc1ccc(O)c(O)c1 1952306490 MZINVHQWNAZXRP-UHFFFAOYSA-N 205.217 0.994 10 10 BCCE CN(C1COC1)C1CN(CCN=[N+]=[N-])C1 1961837507 UYVZJDSMFMAWJK-UHFFFAOYSA-N 211.269 0.312 10 10 BCCE C[C@@H](CCCN)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980378936 ZDOXAPMTNFNUST-GUBZILKMSA-N 226.320 0.627 10 10 BCCE Nc1ccc(CC(=O)NC[C@H]2C[C@@H]2CO)cc1 2005987194 UWNUXFDWVRRWLN-GHMZBOCLSA-N 234.299 0.556 10 10 BCCE COc1ccc([C@H](O)C(=O)C(C)=O)nc1OC 2007273385 ZXCYDLAOLDANMI-JTQLQIEISA-N 239.227 0.290 10 10 BCCE NC(=O)c1cccc(N)c1N[C@H]1[C@H]2OCC[C@@H]21 2007653333 NXAZKNQMUUSYRT-PFZYVWIYSA-N 233.271 0.567 10 10 BCCE COc1ccc(N2C[C@H](O)C[C@@H]2CN)c(F)c1 2010530453 PFXHXFMVODHUPR-RKDXNWHRSA-N 240.278 0.733 10 10 BCCE O=C1NCC[C@H]1CNCc1ccc(O)cc1O 2019986233 FEOJOCGTLDJIPB-VIFPVBQESA-N 236.271 0.324 10 10 BCCE COc1cc(N2CC=C[C@@H](O)C2)ccc1CN 2024761375 PFNXOTAIFPOIIA-GFCCVEGCSA-N 234.299 0.891 10 10 BCCE NC[C@]12C[C@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2029658154 VXVGHELEPTZJLM-ZANVPECISA-N 248.282 0.519 10 10 BCCE NCC1(O)CCN(c2ccc3c(c2)CCO3)CC1 2044322461 MHBJJNMMDGADRC-UHFFFAOYSA-N 248.326 0.912 10 10 BCCE C[C@@H](c1ccccc1O)N1C[C@H](O)CC12CNC2 2066537286 IRHPZJXXJIFYKI-WDEREUQCSA-N 248.326 0.862 10 10 BCCE CC[C@H](C)[C@H](COc1nnc(=N)[nH]n1)OC 2210647458 SEOZYBAWFWMRBQ-BQBZGAKWSA-N 227.268 0.119 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC(F)(F)[C@H]1C(=O)O 2213590363 ZPWNIAJEYYUMFH-RFZPGFLSSA-N 248.189 0.769 10 10 BCCE COc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1C 2219724634 VOTBFHZGTWNSSJ-OJDJGZDQSA-N 249.310 0.934 10 10 BCCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@H]32)cc1 2253629032 PGERTBPYJVFOEQ-AAEUAGOBSA-N 245.326 0.860 10 10 BCCE Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)c1O 2256386600 OOJWBVZBPVEGDS-VHSXEESVSA-N 248.282 0.438 10 10 BCCE Nc1ccc(NC(=O)NC[C@H]2[C@H]3CN[C@@H]2C3)cc1 2311872740 VVXLCMKBLKRMBR-JFUSQASVSA-N 246.314 0.998 10 10 BCCE COC(=O)[C@H](C)NCc1cccc(O)c1O 41049431 BECUJGLEYNZWIK-ZETCQYMHSA-N 225.244 0.749 10 10 BCCE N[C@@H](CO)c1ccc(F)c(C(=O)O)c1O 72198245 LLAFCZCWPYMZOM-LURJTMIESA-N 215.180 0.222 10 10 BCCE CNCc1nnc([C@@H](N)c2cc(C)ccc2O)o1 83378509 KOYQDCKINUMDIM-NSHDSACASA-N 248.286 0.851 10 10 BCCE COC(=O)C1=C(C)NC(=O)/C1=C/N(C)C 102671985 KICJMJFFJNGVOV-FNORWQNLSA-N 210.233 0.009 10 10 BCCE CN(C)c1ccc(CNOCC(N)=O)cc1 168031089 VXSIUDOCDFBDAZ-UHFFFAOYSA-N 223.276 0.259 10 10 BCCE N[C@@H](CC(=O)O)c1c(O)ccc2c1OCCO2 213060997 BUUQHUWGEVSJOF-LURJTMIESA-N 239.227 0.638 10 10 BCCE Oc1ccc(F)cc1CNN1CCOCC1 236560763 JZNIDTZKQUSGER-UHFFFAOYSA-N 226.251 0.868 10 10 BCCE COC(=O)C[C@H]1SC(=S)N(C)C1=O 238375641 YQBUTUDYKSFYJD-SCSAIBSYSA-N 219.287 0.408 10 10 BCCE CN[C@H](CO)c1cc(OC)cc(C)c1O 238801028 KJDHFXHOCIGKJW-SNVBAGLBSA-N 211.261 0.962 10 10 BCCE CCOc1ccc2c(c1)[C@H]([C@@H](N)CO)CN2C 250528509 ZAZZOUXRIYHFBP-NEPJUHHUSA-N 236.315 0.938 10 10 BCCE COC(=O)[C@H]1C[C@H](c2ccccc2O)N1 259043166 ARFLEIFSPFAKIB-RKDXNWHRSA-N 207.229 0.968 10 10 BCCE Nc1cccc(F)c1N[C@H]1COC[C@@H]1O 323845250 OOGVBJCRGPASKR-IUCAKERBSA-N 212.224 0.580 10 10 BCCE Cn1ncc(CNCc2cccc(O)c2O)n1 389833700 KUJZJTLFNWXMFA-UHFFFAOYSA-N 234.259 0.516 10 10 BCCE Cn1cc(CNC(=O)Nc2ccc(N)cc2)nn1 389915206 KWVIXBISSFTUCT-UHFFFAOYSA-N 246.274 0.719 10 10 BCCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cncnc1 394071170 IOQAHIBSQQHMEW-MRVPVSSYSA-N 236.235 0.892 10 10 BCCE CO[C@@H]1CCC[C@@]1(NCCN=[N+]=[N-])C(=O)O 687387176 HIESKTYYZCQFIO-APPZFPTMSA-N 228.252 0.909 10 10 BCCE C[C@@](O)(C(=O)O)[C@H](N)c1ccc(Cl)cc1O 713776632 XZAKJDXCPVWXGJ-SCZZXKLOSA-N 245.662 0.881 10 10 BCCE O=C(O)C[C@H]1OC(=O)c2c1ccc(O)c2O 719216945 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Cn1ncc(N)c1-c1cc(O)nc(O)c1 1952449566 SIUMCXOCEACNMW-UHFFFAOYSA-N 206.205 0.476 10 10 BCCE C[C@H]1CN(CCN=[N+]=[N-])CC[S@@]1=O 1954069784 SMJDYHMVLLYYLI-CPFSXVBKSA-N 202.283 0.750 10 10 BCCE CO[C@@H](CO)CNCc1cc(F)cc(F)c1O 1963411647 VRUVOHLEVNJQPL-SECBINFHSA-N 247.241 0.767 10 10 BCCE N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccccc1O 1969155000 SSOGGGWMMQCQIU-DNSLJTBWSA-N 246.310 0.992 10 10 BCCE COc1cccc(O)c1CN1CC[C@@H]1CN 1976858159 MJUPAILYLABLNC-SECBINFHSA-N 222.288 0.934 10 10 BCCE C[C@@H]1OCC[C@@H]1[C@H](NCCN=[N+]=[N-])C(=O)O 1988452997 QWAUQJNGABVTCS-FXQIFTODSA-N 228.252 0.765 10 10 BCCE CO[C@H]1CNC[C@@H]1Nc1c(C)cccc1N 1989371393 PQKLEKHHYFLPBD-QWRGUYRKSA-N 221.304 0.976 10 10 BCCE COCC(COC)C(=O)N1CC(N=[N+]=[N-])C1 1992692587 KEIVEQBUJRNYTP-UHFFFAOYSA-N 228.252 0.417 10 10 BCCE Cc1ccc(CNC[C@H](O)[C@@H](C)O)c(O)c1 1994456051 GEHCYXWHDAUWBE-SKDRFNHKSA-N 225.288 0.532 10 10 BCCE Cc1ccc(CNCCNC(N)=O)c(O)c1 1994458377 RZEGTCLGLAYSHE-UHFFFAOYSA-N 223.276 0.459 10 10 BCCE Cn1ccc(=NCCOc2ccc(N)cc2)[nH]1 1999083523 MAQOTAGJNXZENF-UHFFFAOYSA-N 232.287 0.915 10 10 BCCE COCC[C@](COC)(NCCN=[N+]=[N-])C(=O)O 2001415933 HHEPFMVEXQNKIG-SECBINFHSA-N 246.267 0.393 10 10 BCCE CO[C@H]1CN(Cc2c(C)cccc2O)C[C@@H]1N 2009266110 BHLJZNTZOPONRQ-AAEUAGOBSA-N 236.315 0.859 10 10 BCCE Nc1ccc(OCCN2C[C@H]3C[C@@]3(CO)C2)cc1 2029639917 XCIZQQKXVPSFEE-RISCZKNCSA-N 248.326 0.962 10 10 BCCE Cc1nnn(C)c1CNCc1ccc(O)cc1O 2034957558 HWRACAHWWOTRNJ-UHFFFAOYSA-N 248.286 0.825 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CC(C2CNC2)C1 2075886288 OVXVGZNGJZUNMO-UHFFFAOYSA-N 248.282 0.389 10 10 BCCE NCc1ccc(N2C[C@H]3CCO[C@]3(CO)C2)cc1 2223467977 BKAMMMLVGJYAIS-OCCSQVGLSA-N 248.326 0.733 10 10 BCCE CSc1ncc(CNC[C@@H](O)CO)s1 2241585136 YZRMTDCLVWTZRC-ZCFIWIBFSA-N 234.346 0.308 10 10 BCCE NC[C@]12C[C@H]1CN(Cc1ccc(O)cc1O)C2 2250699636 UKFIXKJNVIRRMB-GWCFXTLKSA-N 234.299 0.878 10 10 BCCE C[C@@H]1OC(c2cccc(O)c2O)=N[C@H]1O 39096845 GLNWEZCWSWKPDN-CDUCUWFYSA-N 209.201 0.582 10 10 BCCE CN[C@H]1CCc2c(ccc(O)c2O)[C@H]1O 39096958 VJBMHARWYAGTQQ-WCBMZHEXSA-N 209.245 0.665 10 10 BCCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1 42533831 QKQNMAWUDOAYMH-UHFFFAOYSA-N 245.256 0.307 10 10 BCCE CNC[C@H]1NCCc2c(O)ccc(O)c21 75799730 AZSTWRAWXBVRJY-MRVPVSSYSA-N 208.261 0.504 10 10 BCCE Cc1cc(C(=O)C(=O)C(=O)O)c(C)n1C 77302501 XKXJFSLOTGGUJL-UHFFFAOYSA-N 209.201 0.478 10 10 BCCE O=C(O)C(=O)C(=O)c1ccc2c(c1)CCO2 77329596 AWYUMRBEOKZCNW-UHFFFAOYSA-N 220.180 0.458 10 10 BCCE O=C1CNCC[C@H]1c1ccc(O)c(O)c1 82933823 MBCQEVXELZOYGI-QMMMGPOBSA-N 207.229 0.744 10 10 BCCE CC(C)CNC(=O)[C@H](N)c1cccc(O)c1O 83365939 VEQISKWELBELCA-SNVBAGLBSA-N 238.287 0.870 10 10 BCCE COCOC(=O)COc1ccc(N)cc1 83749349 FMLJHSSEZILNQT-UHFFFAOYSA-N 211.217 0.795 10 10 BCCE CCOC(=O)[C@@H](CN=[N+]=[N-])NC[C@@H]1CCCO1 91314434 SUOMEGHUIPSZNL-DTWKUNHWSA-N 242.279 0.997 10 10 BCCE CN(C)c1ccc(/C=C2\C(=O)NN(O)C2=O)cc1 209876290 PCXGWJQFCWFQSU-JXMROGBWSA-N 247.254 0.399 10 10 BCCE COC[C@H](CO)NCc1ccc(OC)cc1O 234793718 AERKMIYABQJXRE-JTQLQIEISA-N 241.287 0.498 10 10 BCCE O=C(NN1CCOCC1)c1ccc(O)c(O)c1 236565732 LAQXIQJCNOYRJA-UHFFFAOYSA-N 238.243 0.075 10 10 BCCE C[C@@](N)(C(=O)O)c1cc(O)c(O)c(O)c1 238413119 VIVFRDUNZIHXBZ-VIFPVBQESA-N 213.189 0.062 10 10 BCCE Nc1ccc(OCCC[C@@H](O)CO)cc1 238610866 YLPBBKPMOYJENH-SNVBAGLBSA-N 211.261 0.781 10 10 BCCE Nc1ccc2c(c1O)[C@](N)(C(=O)O)CC2 238611150 HDEFOUTWYQTXAL-JTQLQIEISA-N 208.217 0.159 10 10 BCCE COc1ccc2c(c1)[C@H](O)[C@]1(CCNC1)N2C 258043091 OMBCVBWGSIPIQN-QWHCGFSZSA-N 234.299 0.911 10 10 BCCE CNCC(=O)c1cc(F)cc(CN(C)C)c1O 258402469 YCZNCXQUQFXEGF-UHFFFAOYSA-N 240.278 0.995 10 10 BCCE COC(=O)[C@H](N)c1c(OC)ccc(C)c1O 260154437 NQJLECDKFOJJST-SECBINFHSA-N 225.244 0.882 10 10 BCCE COCc1ccc(O)c([C@@H](N)C(=O)OC)c1 261219419 MMAGHDAHXMZTNA-SNVBAGLBSA-N 225.244 0.711 10 10 BCCE CN(CCOCCO)c1ccc(CN)cc1F 302473755 XSQGBRPDYZSREF-UHFFFAOYSA-N 242.294 0.730 10 10 BCCE CS(C)(=O)=NC(=O)c1cccc(O)c1O 309029931 AUQZTOZSSUMXLF-UHFFFAOYSA-N 229.257 0.966 10 10 BCCE C[C@H](N[C@H]1CONC1=O)c1ccc(F)cc1O 393779736 AWNDCEFUPPPSHO-RCOVLWMOSA-N 240.234 0.612 10 10 BCCE CC(CO)(CO)CNCc1ccc(O)cc1O 393906326 YLLYLDFJLZJOIH-UHFFFAOYSA-N 241.287 0.178 10 10 BCCE CO[C@@]1(CO)CCN(c2ccc(CN)cc2)C1 402934082 KDHKUUGYYASOJF-ZDUSSCGKSA-N 236.315 0.733 10 10 BCCE C[C@@H](NCc1cc(Cl)ccc1O)[C@H](O)CO 699008787 UKLVTVKDNGIFKJ-RDDDGLTNSA-N 245.706 0.877 10 10 BCCE CCN[C@H]1CCN(CCOC)[C@@H]1CN=[N+]=[N-] 712227783 IBVANZYSTIFUOF-VHSXEESVSA-N 227.312 0.996 10 10 BCCE CC(=O)C(=O)COC(=O)CC[C@H]1CCOC1 808525159 UCVGTIPPALWPTQ-VIFPVBQESA-N 228.244 0.504 10 10 BCCE Cn1[nH]c(Sc2nccs2)nc1=N 1892883855 MUVAZRYVXUYKSL-UHFFFAOYSA-N 213.291 0.835 10 10 BCCE COc1ccc(N2CC(C)(C(N)=O)C2)c(N)c1 1914232565 RONRJRZXAAFXHN-UHFFFAOYSA-N 235.287 0.589 10 10 BCCE CN=c1ncnc(Sc2nccs2)[nH]1 1931354214 UUIUYJCWRPTHRH-UHFFFAOYSA-N 225.302 0.943 10 10 BCCE CN(Cc1ccc(O)cc1O)C[C@@H]1CCN1 1935585797 MZMMXKOITFXOSD-JTQLQIEISA-N 222.288 0.892 10 10 BCCE NN[C@H](c1cncnc1)c1ccccc1O 1936972184 DPNTWMNNPNTOCU-LLVKDONJSA-N 216.244 0.735 10 10 BCCE CN(Cc1ccccc1O)C(=O)CCON 1939921862 WTKQNFYAQSTEIV-UHFFFAOYSA-N 224.260 0.631 10 10 BCCE CO[C@]1([C@@H](NN)c2ccccc2O)CCOC1 1942401097 OZEAXPWSVARNMR-NWDGAFQWSA-N 238.287 0.702 10 10 BCCE C[C@H](N[C@@H]1CN(C)C[C@H]1O)c1ccccc1O 1942694274 YDNIRVHYMBWDSX-UFGOTCBOSA-N 236.315 0.718 10 10 BCCE CC(C)(C(=O)O)[C@H](O)c1ccc(O)c(O)c1O 1951960611 ALDNXPASVUGXRB-SECBINFHSA-N 242.227 0.948 10 10 BCCE C[C@@H](N)[C@@H](O)Cc1cc(O)c(O)c(O)c1 1952158118 SYVJZTJSPRBVPC-VDTYLAMSSA-N 213.233 0.054 10 10 BCCE Oc1ccc([C@@H]2NCCC[C@H]2O)c(O)c1 1952602696 RSWXVYXBPRWIRG-KOLCDFICSA-N 209.245 0.883 10 10 BCCE Cc1cc(O)c([C@H]2CNC(=O)CN2)cc1C 1952908556 DUELEUQZYCMQEK-SNVBAGLBSA-N 220.272 0.770 10 10 BCCE C[C@H](N)[C@H]1CN(CCCN=[N+]=[N-])CCO1 1962301387 UYDHDHYQTVLETA-DTWKUNHWSA-N 213.285 0.735 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@H](O)[C@H]2COC[C@@H]21 1975941146 UEMAUAPARQIDCG-GUBZILKMSA-N 226.280 0.768 10 10 BCCE Nc1ccc(NC(=O)N[C@H]2CCNC2)cc1 1989315395 GSSGTBMGIAMNRM-JTQLQIEISA-N 220.276 0.752 10 10 BCCE Oc1ccc(CN2C[C@@H]3C[C@H](CN3)C2)cc1O 1997871755 LRWCBQVWKUEFJU-MNOVXSKESA-N 234.299 0.892 10 10 BCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 1998330859 KVMYNHARTITUFK-AOOOYVTPSA-N 240.278 0.216 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2C[C@@H]21 2004454209 BJIOMPXNWMCJKG-KWQFWETISA-N 235.239 0.711 10 10 BCCE O=C(N[C@@H]1CC[C@H](O)C1)c1cccc(O)c1O 2008541791 KVERMWMXMPNPFK-SFYZADRCSA-N 237.255 0.741 10 10 BCCE CN(C)c1ccc([C@@H](O)[C@](C)(N)C(=O)O)cc1 2008876563 AQVNDJPSGWMWAR-PWSUYJOCSA-N 238.287 0.588 10 10 BCCE OC[C@@H](O)C1(NCc2ccc(O)c(O)c2)CC1 2015913486 VABPMPQOEXYMIC-LLVKDONJSA-N 239.271 0.073 10 10 BCCE CCN(C(=O)Cn1cncn1)c1ccc(N)cc1 2029789660 XVRJNRXLVFHWMD-UHFFFAOYSA-N 245.286 0.913 10 10 BCCE Cc1ccc(O)c(CN2C[C@H](N)[C@H]3COC[C@@H]32)c1 2040554173 LIFOXADNEFFVNX-AGIUHOORSA-N 248.326 0.859 10 10 BCCE Nc1ccc(CN2CC3(C2)OCCC[C@@H]3O)cc1 2041670406 XCOCYNSCISSEPU-ZDUSSCGKSA-N 248.326 0.995 10 10 BCCE Cc1cccc(O)c1CN1C[C@H](N)[C@H]2COC[C@@H]21 2042630795 HMKFPASNMACLEE-AGIUHOORSA-N 248.326 0.859 10 10 BCCE Nc1ccc(CC(=O)NC[C@H]2[C@H]3OCC[C@H]23)cc1 2056405464 LWWZYPXDBMYRHI-BZPMIXESSA-N 246.310 0.962 10 10 BCCE Cc1cccc(O)c1Cn1[nH]c(=O)cc1O 2070219730 DSIVOSPVWPIDRR-UHFFFAOYSA-N 220.228 0.944 10 10 BCCE C[C@H]1CN(c2cc3c(cc2N)OCCO3)C[C@@H]1N 2071620749 FBEPDGJSOIUIQO-WPRPVWTQSA-N 249.314 0.823 10 10 BCCE C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCNC1 2071732040 QHMYWDGVRJEESK-CQSZACIVSA-N 247.342 0.927 10 10 BCCE NCc1ccc(N2C[C@H]3COC[C@]3(CO)C2)cc1 2219041686 RLYUIDKZBBOYLR-GXTWGEPZSA-N 248.326 0.590 10 10 BCCE N=C(N)c1cnc(SCCCO)s1 2242574205 LCPQXCZSAQRTQA-UHFFFAOYSA-N 217.319 0.902 10 10 BCCE COc1ccc(N2CCOC3(CNC3)C2)cc1 2250779178 SKBQWKMQINLXMC-UHFFFAOYSA-N 234.299 0.874 10 10 BCCE CN(C)C(=O)N1CCCN(CCN=[N+]=[N-])CC1 2303314884 WZOUCJHODMIWAR-UHFFFAOYSA-N 240.311 0.986 10 10 BCCE COC(=O)[C@@](O)(CN=[N+]=[N-])C(F)(F)F 38325487 VWNVQSKKDPRFCO-BYPYZUCNSA-N 213.115 0.763 10 10 BCCE COc1cccc(O)c1[C@@H](N)CC(=O)O 44197052 IOFFQDYZJBLWDH-LURJTMIESA-N 211.217 0.875 10 10 BCCE CN(C)CCN1CCN(CCN=[N+]=[N-])CC1 61652200 HAWFDMHUTSQILW-UHFFFAOYSA-N 226.328 0.476 10 10 BCCE CN(C)Cc1cc(F)cc([C@@H](N)CO)c1O 83069503 JYSUWGXOZLKOJD-JTQLQIEISA-N 228.267 0.585 10 10 BCCE C[C@]1(c2cc(F)cc(N)c2O)COCCN1 83354613 NAJBDWSAMQGMKB-LLVKDONJSA-N 226.251 0.949 10 10 BCCE C[C@@](O)(CO)CNCc1ccc2c(c1)CCO2 90286768 UUSRYWPPQQSGHW-ZDUSSCGKSA-N 237.299 0.454 10 10 BCCE N[C@H]1C(=O)Nc2cc(N3CCC(O)CC3)ccc21 102452969 JSIPHVAGNCZABM-GFCCVEGCSA-N 247.298 0.600 10 10 BCCE COC[C@](NCCN=[N+]=[N-])(C(=O)OC)C1CC1 126897423 IAWMJIPUHSTMPC-SNVBAGLBSA-N 242.279 0.855 10 10 BCCE C[C@@H](O)CCN(C)C(=O)c1cc(O)nc(O)c1 135615521 QNEMYDIZJNTHHS-SSDOTTSWSA-N 240.259 0.336 10 10 BCCE Cc1ccc([C@H](C)NC[C@@H](O)C(N)=O)c(O)c1 228629328 QQGRFCBZSNRUGJ-GZMMTYOYSA-N 238.287 0.197 10 10 BCCE Oc1cccc(CNCc2ncon2)c1O 231782359 SHNVVMBEHNJNJO-UHFFFAOYSA-N 221.216 0.771 10 10 BCCE [N-]=[N+]=NCc1cn(-c2nonc2N)nn1 238709307 JNWREVAKCHKWTI-UHFFFAOYSA-N 207.157 0.043 10 10 BCCE COc1ccc(N(C)C[C@H](N)CN)c(OC)c1 258790374 BUWWHPBIDOQRNK-SECBINFHSA-N 239.319 0.426 10 10 BCCE CCOc1ccc(N(C)C[C@@H](O)CN)cc1F 258898044 HKFZTVFHYXOXDM-JTQLQIEISA-N 242.294 0.980 10 10 BCCE COC(=O)[C@@H]1C[C@H](c2ccccc2O)N1 259043150 ARFLEIFSPFAKIB-BDAKNGLRSA-N 207.229 0.968 10 10 BCCE COC(=O)Cc1nnc2cccc(OC)c2n1 260281495 VWJOWNNTXCXYFB-UHFFFAOYSA-N 233.227 0.749 10 10 BCCE N[C@@H](c1cccc(O)c1O)[C@@H](O)C1CC1 393730226 NMHCJXYYBSPDON-UWVGGRQHSA-N 209.245 0.869 10 10 BCCE C[C@]1(N)CCN(C(=O)c2cc(O)nc(O)c2)C1 405858425 HPTFJKLWRDHSAL-NSHDSACASA-N 237.259 0.056 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@@]12COC[C@@H]1C2 689134723 JCTXPZXLZKMVFW-CBAPKCEASA-N 210.237 0.840 10 10 BCCE CN(c1ccc(CN)cc1)[C@@H]1CCCNC1=O 691460181 FOFQDKUJOZCMDF-GFCCVEGCSA-N 233.315 0.860 10 10 BCCE CCc1cccc(CNC(CO)CO)c1O 691481936 MLXRWPBAHGUSRP-UHFFFAOYSA-N 225.288 0.397 10 10 BCCE CC(=O)C(=O)CC(=O)c1cn2c(n1)CCCC2 697211315 QEMIZRHDSUGAGK-UHFFFAOYSA-N 234.255 0.950 10 10 BCCE CN(C)c1ccc2c(c1)NC(=O)[C@@]2(C)N 713749904 RVFGGTZAJZOCIQ-NSHDSACASA-N 205.261 0.879 10 10 BCCE Cc1ccc(O)c(CN[C@H](CO)CN(C)C)c1 716754243 RRGYIRHROMCYKH-LBPRGKRZSA-N 238.331 0.713 10 10 BCCE Cc1cccc(CN2CC3(CNC(=O)O3)C2)c1O 817417054 VEVKFGJGRYOPFK-UHFFFAOYSA-N 248.282 0.995 10 10 BCCE [N-]=[N+]=NCCN1C=CS(=O)(=O)C=C1 1881748859 YKCSCBIPFYFRTI-UHFFFAOYSA-N 200.223 0.970 10 10 BCCE CO[C@@H]1COC[C@@H]1NCc1ccc(N)cc1 1895548682 ZAIORNLQMFWDAP-NWDGAFQWSA-N 222.288 0.772 10 10 BCCE CO[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1N 1908010082 MINUDBVDWDYRAV-JOYOIKCWSA-N 238.287 0.256 10 10 BCCE CN(C)C[C@@](C)(O)CNCc1ccc(N)cc1 1944074548 HQROXMKKTDJHNN-ZDUSSCGKSA-N 237.347 0.671 10 10 BCCE CN(Cc1ccc(O)c(O)c1)C1[C@@H]2CNC[C@@H]12 1944899484 OTONMFVRUKZEEO-NXEZZACHSA-N 234.299 0.747 10 10 BCCE O=C(N[C@@]12CNC[C@@H]1C2)c1ccc(O)c(O)c1 1950091416 DAJZYDYKDFGIDT-UFBFGSQYSA-N 234.255 0.190 10 10 BCCE CC(C)CN1C[C@H](O)[C@H](N2CC(N=[N+]=[N-])C2)C1 1950758039 QKJYMXUQKLKEPW-MNOVXSKESA-N 239.323 0.682 10 10 BCCE CCOC(=O)[C@@](C)(N)c1ccc(O)cc1O 1951735203 OSPHXPBLOBZYJL-NSHDSACASA-N 225.244 0.835 10 10 BCCE Oc1cc([C@H]2NCCCC[C@@H]2O)cc(O)c1O 1951966540 IDWPZFCSSGYWFB-GZMMTYOYSA-N 239.271 0.979 10 10 BCCE COc1cccc([C@@H]2CNCC(=O)N2C)c1O 1952071373 PKIGIMQKGSJKAV-VIFPVBQESA-N 236.271 0.504 10 10 BCCE [N-]=[N+]=NCCN1C[C@H](N)C[C@@]12CCOC2 1962286883 CWKOGXRPIKQOEZ-RKDXNWHRSA-N 211.269 0.489 10 10 BCCE NC(=O)C1CC(NCc2c(O)cccc2F)C1 1965942155 TVFKYWOHZCLJHR-UHFFFAOYSA-N 238.262 0.885 10 10 BCCE CN(CCN=[N+]=[N-])C[C@@H]1CO[C@@H]2COC[C@@H]21 1975829261 JJGOVGBRPBQNCJ-OPRDCNLKSA-N 226.280 0.890 10 10 BCCE C[C@@H]1CNC(=O)CN1c1ccc(CN)cc1 1985206731 BJJUZUIVEXQNOH-SECBINFHSA-N 219.288 0.470 10 10 BCCE COc1ccc(N2C[C@@H](O)C[C@H]2CN)cc1 1987543673 AVOKOPGCUSGRMS-QWRGUYRKSA-N 222.288 0.594 10 10 BCCE C[C@H](N[C@@H]1C[C@H](O)C[C@H]1O)c1ccccc1O 2000838455 ROSVFYIXIBTMJN-FIQUKUQUSA-N 237.299 0.927 10 10 BCCE Nc1ccc(NC(=O)N=c2nc(O)[nH][nH]2)cc1 2022090673 JNSSVFWBQJTIHQ-UHFFFAOYSA-N 234.219 0.158 10 10 BCCE O=c1c2c(ccn1C[C@H]1CCCOC1)CCNC2 2033371782 VHHURCHSEVMGTL-LLVKDONJSA-N 248.326 0.921 10 10 BCCE N[C@@]12CC[C@H]1CN(C(=O)c1cccc(O)c1O)C2 2034322809 RCMVLPVAYFKXJY-ISVAXAHUSA-N 248.282 0.661 10 10 BCCE C[C@H](O)c1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2042550315 DMELSYHZDYHLKR-XSWLOTCJSA-N 249.310 0.670 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@H]1CO 2046433014 LUZINJMAWKWBLF-GZMMTYOYSA-N 249.314 0.941 10 10 BCCE O=C(c1cccc(O)c1O)N1CC[C@@H]2COC[C@H]21 2077839294 AJNOXCKUXQDVPO-PSASIEDQSA-N 249.266 0.959 10 10 BCCE O[C@@H]1C[C@@H](O)CN(c2ccc3c(c2)CCCO3)C1 2219468271 NJSREYDMFMMWRM-CHWSQXEVSA-N 249.310 0.944 10 10 BCCE CCC(CO)(CO)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2246461422 BBMBQCQXZCVLTG-QMMMGPOBSA-N 242.279 0.279 10 10 BCCE CNCc1ccc(N2CCNC(=O)C2)cc1 34824158 VUUGHVVLXZFGEZ-UHFFFAOYSA-N 219.288 0.342 10 10 BCCE CS(=O)(=O)c1cc(O)c(O)c([N+](=O)[O-])c1 38175051 LRINMBOHZZPHOG-UHFFFAOYSA-N 233.201 0.410 10 10 BCCE C[C@@H]1CN(CC(N)=O)c2cc3c(cc2N1)OCO3 76928726 CRALERLWTFGWFY-SSDOTTSWSA-N 249.270 0.521 10 10 BCCE COc1cccc([C@@H]2CNCCN2C)c1O 83352077 KVEDZWCYAJWDEF-JTQLQIEISA-N 222.288 0.977 10 10 BCCE CCN(C(C)=O)[C@@H](CN=[N+]=[N-])C(=O)O 85622372 DJOAKQOTQJUYRU-LURJTMIESA-N 200.198 0.618 10 10 BCCE C[C@@H](NC(CO)CO)c1cc(F)ccc1O 87111430 ASFAJYARAWYOAF-SSDOTTSWSA-N 229.251 0.535 10 10 BCCE COc1ccc(N2CCNCC2)c(C(=O)O)c1 216947525 KHZZKRFBFDZZKY-UHFFFAOYSA-N 236.271 0.803 10 10 BCCE Oc1ccc(F)cc1CNCCn1ccnn1 228835947 YPROBUPHPYWWBD-UHFFFAOYSA-N 236.250 0.913 10 10 BCCE CN[C@@H](CO)c1cccc(C(=O)O)c1O 238370304 KEBNGUJUHLDKBZ-QMMMGPOBSA-N 211.217 0.343 10 10 BCCE O=C(O)[C@@H]1[C@@H]2CN[C@@H](c3ccccc3O)[C@H]21 250203440 SKRMRJLHQKKXKF-WKJUBOCMSA-N 219.240 0.983 10 10 BCCE O=C(O)[C@@H]1CN[C@H](c2cc(O)ccc2O)C1 258384698 JESTZOHCDVNOMH-RCOVLWMOSA-N 223.228 0.833 10 10 BCCE COc1ccc(CN[C@H](CO)CCO)cc1C 258657414 GZLUAOUMDOETEX-LBPRGKRZSA-N 239.315 0.837 10 10 BCCE CC[C@H](NC(=O)c1cccc(O)c1O)C(N)=O 292311719 AMGDMFNKZJUNLO-ZETCQYMHSA-N 238.243 0.092 10 10 BCCE N[C@H](CC(=O)O)c1c(F)cc(F)c(O)c1O 309211926 HIDYCTZMOJBUOA-RXMQYKEDSA-N 233.170 0.851 10 10 BCCE CN[C@H](CO)c1cc(F)cc(C(=O)O)c1O 309408963 XABRNPPLLVQBJG-MRVPVSSYSA-N 229.207 0.482 10 10 BCCE Cc1nnc(CNCc2ccc(O)cc2O)n1C 393249312 XMHIIAZYQAERQV-UHFFFAOYSA-N 248.286 0.825 10 10 BCCE CNCc1ccc(N2C[C@@H](O)[C@H](OC)C2)cc1 395929950 HOXHSLNDJIMHHP-CHWSQXEVSA-N 236.315 0.602 10 10 BCCE CNC[C@]1(O)CN(C)c2ccc(OC)cc21 527411159 JKTUUMHAIKHWCD-LBPRGKRZSA-N 222.288 0.552 10 10 BCCE Cc1cccc(N)c1N[C@@H](C)[C@@H](O)CO 698992046 FGXKYAASOKIQDI-WPRPVWTQSA-N 210.277 0.731 10 10 BCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])COC[C@H]1C 699427176 FCGYEABWLSJEBC-PSASIEDQSA-N 242.279 0.855 10 10 BCCE CC[C@@H](NCc1cccc(O)c1O)C(=O)NC 700419014 KVSFJJHACMNQRX-SECBINFHSA-N 238.287 0.712 10 10 BCCE O=C(c1cccc(O)c1O)N1[C@H]2CC[C@H]1CNC2 723858107 WKXLIJDVGJXSLY-IUCAKERBSA-N 248.282 0.674 10 10 BCCE O=C1CC(CNC(=O)c2cccc(O)c2O)C1 1148220078 OTMBYWGMJCKJQR-UHFFFAOYSA-N 235.239 0.807 10 10 BCCE Cn1ccc2c([C@H](O)[C@H](N)C(=O)O)cccc21 1535797109 ZFMKOLZJRZGHOF-QWRGUYRKSA-N 234.255 0.624 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(CC(=O)N2CCOC2=O)C1 1912176827 FJLPKEFSEPAEJM-ZETCQYMHSA-N 239.235 0.350 10 10 BCCE CC[C@H](NC(C)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912186016 YVOWHCLMDGRGMO-IUCAKERBSA-N 239.279 0.812 10 10 BCCE [N-]=[N+]=NCCCCN1CCC[C@@](O)(C(N)=O)C1 1912194323 UAICOPJSLKLGPQ-JTQLQIEISA-N 241.295 0.389 10 10 BCCE C[C@]1(CN2CC[C@@H](N=[N+]=[N-])C2)CCNC1=O 1912200066 BDRQKWVVHVMFBZ-PSASIEDQSA-N 223.280 0.897 10 10 BCCE Cc1c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)nnn1C 1912211623 YSNZCUQTERPUFF-MRVPVSSYSA-N 249.278 0.896 10 10 BCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCN1 1912860400 NQMUGRMJCNEQFY-SECBINFHSA-N 236.271 0.118 10 10 BCCE COC[C@@H]1CC[C@](O)(C(=O)C(C)=O)C1 1918601326 QJOPWSUDIGQWFE-PSASIEDQSA-N 200.234 0.322 10 10 BCCE NC(=O)CNCc1ccc(Cl)cc1O 1928563376 AEQRNBOJTFYXGY-UHFFFAOYSA-N 214.652 0.621 10 10 BCCE NC(=O)[C@H]1CCCN[C@@H]1c1ccccc1O 1936975754 OMMMPXNFXCSTQZ-GXSJLCMTSA-N 220.272 0.918 10 10 BCCE O=C(O)[C@H](NCCCO)c1cc(F)ccc1O 1941408615 ILHKMJNKOIEPFG-SNVBAGLBSA-N 243.234 0.629 10 10 BCCE O=C(NCc1ccccc1O)O[C@H]1CCNC1 1941513609 BUDSKLMACUYKFD-JTQLQIEISA-N 236.271 0.980 10 10 BCCE Oc1cc(C[C@]2(O)CCCNC2)cc(O)c1O 1951472838 IVEITIZLDYPRJH-GFCCVEGCSA-N 239.271 0.460 10 10 BCCE O=C1C[C@H](c2cc([N+](=O)[O-])ccc2O)N1 1951665293 RAQYRPRZDSCNIV-SSDOTTSWSA-N 208.173 0.861 10 10 BCCE Oc1ccc(O)c([C@H]2NCCC[C@@H]2O)c1 1952588765 CLEVFCGXTYEXQN-WDEREUQCSA-N 209.245 0.883 10 10 BCCE N[C@]1(c2ccc(O)cc2O)C[C@H]1C(=O)O 1952766235 WSHGJRPZVLNVNF-XVKPBYJWSA-N 209.201 0.356 10 10 BCCE [N-]=[N+]=NCCCN1CC([C@H](F)CO)C1 1955015400 BVYLLWXTDWHPTO-MRVPVSSYSA-N 202.233 0.949 10 10 BCCE CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 1988089135 LNBRVKYRNSVVFS-UHFFFAOYSA-N 223.228 0.895 10 10 BCCE CON(CCC(=O)O)Cc1ccc(O)cc1O 1996516553 XSPKNIGKJLJQQX-UHFFFAOYSA-N 241.243 0.936 10 10 BCCE C[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC[C@@H]1N 2003172089 GECBOMAOFBSKIB-LKAMGYQZSA-N 238.331 0.770 10 10 BCCE C[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)cc1 2005859146 SOAJFCHFRGCFCE-ZWNOBZJWSA-N 238.331 0.584 10 10 BCCE C[C@H]1[C@@H](O)CN1c1cc2c(cc1N)OCCO2 2011384091 MKUJUECMUYIKSH-XVKPBYJWSA-N 236.271 0.609 10 10 BCCE CN(C(=O)c1ccc(O)c(O)c1)C1[C@H]2CNC[C@H]12 2032589080 CRCVTRCRJDEIBG-IUCAKERBSA-N 248.282 0.388 10 10 BCCE C[C@@H]1Cc2cc(N3CCNC[C@H]3CO)ccc2O1 2044335004 OXPXZGYYLRZWLF-MFKMUULPSA-N 248.326 0.781 10 10 BCCE OCC1(O)CN(c2ccc(CNC3CC3)cc2)C1 2051891632 HMBAMRYNRYNOPK-UHFFFAOYSA-N 248.326 0.482 10 10 BCCE Cc1cc(CO)ccc1N1CC2(CNC(=O)N2)C1 2057541104 YLOXSKJOOLROHA-UHFFFAOYSA-N 247.298 0.359 10 10 BCCE CN(Cc1ccccc1O)C(=O)N1CC(CN)C1 2072453648 SUZSQWIYILEXHH-UHFFFAOYSA-N 249.314 0.835 10 10 BCCE Cc1ccc(CN2CCN[C@@H]3COC[C@@H]32)c(O)c1 2084075932 VEFKWAUNOBFPLS-OLZOCXBDSA-N 248.326 0.873 10 10 BCCE COc1ccc(N2CC(OC)C2)c(CN)c1 2211285439 RZKOGVFDTJZQGO-UHFFFAOYSA-N 222.288 0.989 10 10 BCCE Oc1ccc(CCN[C@H]2CNCC23CC3)cc1O 2220616247 PBMHAILSKRNRKT-ZDUSSCGKSA-N 248.326 0.982 10 10 BCCE CO[C@H]1[C@@H](NCc2ccc(O)cc2O)C[C@H]1O 2249808394 URDKWPHYXZQITN-WCQGTBRESA-N 239.271 0.336 10 10 BCCE CO[C@H]1[C@@H](NCc2c(C)cccc2O)C[C@H]1O 2249808994 ZOINVPAYJFEQGQ-UHTWSYAYSA-N 237.299 0.938 10 10 BCCE N[C@H]1CCc2cc(N3CC(O)(CCO)C3)ccc21 2258272806 OXMHSKSBHUJJRT-ZDUSSCGKSA-N 248.326 0.566 10 10 BCCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCN[C@@H]3C[C@@H]32)C1 2303776716 PUJRTOVSSGUQEP-ISUQUUIWSA-N 236.315 0.250 10 10 BCCE Nc1ccc(OCC(=O)N[C@@H]2[C@@H]3CN[C@H]2C3)cc1 2311827550 OYIHPNMVXATUGF-LJUAHTATSA-N 247.298 0.124 10 10 BCCE O=C1NC(=O)[C@@H](c2cc(Cl)ccc2O)N1 3639449 DSXQBCKDSFXKRQ-SSDOTTSWSA-N 226.619 0.926 10 10 BCCE NC[C@@]1(O)CCCc2cc(O)c(O)cc21 11422289 SHIDZSKWNRSZCC-NSHDSACASA-N 209.245 0.580 10 10 BCCE Nc1ccc(NC(=O)N2CC[C@H](O)C2)cc1 61712701 ZTILEQBHCFJACK-JTQLQIEISA-N 221.260 0.867 10 10 BCCE Cc1cc(C(=O)O)cc([C@@H](N)CN)c1O 72200748 YWTPEFPVVDLUDN-QMMMGPOBSA-N 210.233 0.357 10 10 BCCE CNC(=O)CN1C[C@@H](C)Oc2cc(CN)ccc21 74337443 JSIPQXISBCBVAK-SECBINFHSA-N 249.314 0.479 10 10 BCCE C[C@@H](C(N)=O)N1CCNc2cc3c(cc21)OCO3 76928916 PCUFUFXYPSTTNV-ZETCQYMHSA-N 249.270 0.521 10 10 BCCE O=C(O)[C@H]1CS[C@@H](c2cc(O)ccc2O)N1 83369157 OFERRALNAMOJDO-APPZFPTMSA-N 241.268 0.886 10 10 BCCE COC(=O)CC(=O)Nc1ccc(N)cc1 90513878 AMBNNUHYEFBYNF-UHFFFAOYSA-N 208.217 0.770 10 10 BCCE COC(=O)[C@H](C)NC(=O)OCN=[N+]=[N-] 138018097 GTENTLPKMWOFSI-BYPYZUCNSA-N 202.170 0.542 10 10 BCCE Cc1cccc(CNC[C@](C)(O)CO)c1O 165170450 CJCNXMIIERVLPB-LBPRGKRZSA-N 225.288 0.534 10 10 BCCE COc1ccc(F)c([C@H](N)CCO)c1O 212534792 DEXACPLGFAZOPG-SSDOTTSWSA-N 215.224 0.922 10 10 BCCE COc1cc(O)c([C@H](N)CCO)c(F)c1 215766183 QQESAGVYVMLUPR-MRVPVSSYSA-N 215.224 0.922 10 10 BCCE CN(C)C[C@](C)(O)CNc1ccc(N)cc1 227891637 CIXLJXDROMGGSD-GFCCVEGCSA-N 223.320 0.993 10 10 BCCE O=C(N[C@@H]1CCOC1)[C@H]1CNc2ccccc2N1 229883167 QDVANRAFFQKLFU-BXKDBHETSA-N 247.298 0.798 10 10 BCCE CNC(=O)[C@@H]1CCCN(CCN=[N+]=[N-])C1 232298359 ACGJCLHIWMVWES-MRVPVSSYSA-N 211.269 0.755 10 10 BCCE O=C1CN(c2ccc3c(c2)OCO3)CCCN1 259373875 PSQONADFPQJVQC-UHFFFAOYSA-N 234.255 0.742 10 10 BCCE CO[C@@H]1OC[C@H](N=[N+]=[N-])[C@@H](OC)[C@H]1O 263612540 YHJLNJCNJOILHG-BDVNFPICSA-N 203.198 0.044 10 10 BCCE CNC(=O)C(C)(C)NCc1cccc(O)c1O 312845554 MQGLHWSBDYHJBD-UHFFFAOYSA-N 238.287 0.712 10 10 BCCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2COC[C@H]21 385599270 YSYBNKMVMHQLNP-IAZYJMLFSA-N 233.267 0.901 10 10 BCCE O=[N+]([O-])c1ccc(O)c(CNC2COC2)c1 393739602 AHTFSOGTEONRQR-UHFFFAOYSA-N 224.216 0.789 10 10 BCCE COC(=O)Cc1cc(C#N)cc(O)c1O 396143689 NNBKLGLSQROQJE-UHFFFAOYSA-N 207.185 0.685 10 10 BCCE C[C@@H](N)c1ccc(N2CCN(C)[C@@H](CO)C2)cc1 687614412 JNDAJZBKGPQQSP-BXUZGUMPSA-N 249.358 0.819 10 10 BCCE C[C@H](CS(C)(=O)=O)N(C)CCN=[N+]=[N-] 689169650 SQTDRJOIKWSBAB-SSDOTTSWSA-N 220.298 0.662 10 10 BCCE C[C@H](Sc1nccs1)[C@@H](N)C(N)=O 698630368 UQHHUOZYBXMSNV-CRCLSJGQSA-N 217.319 0.436 10 10 BCCE C[C@@H](Sc1nccs1)[C@H](N)C(N)=O 698630373 UQHHUOZYBXMSNV-UHNVWZDZSA-N 217.319 0.436 10 10 BCCE Cc1ccc(O)c(CN[C@@H](C)[C@@H](O)CO)c1 705060423 PUGVTDQFGVLITN-CABZTGNLSA-N 225.288 0.532 10 10 BCCE N[C@H](c1ccc(Cl)cc1O)[C@@H](O)CO 713762926 RLEATKHPJQGLLT-DTWKUNHWSA-N 217.652 0.399 10 10 BCCE C[C@H](NC[C@@H](O)[C@H](C)O)c1ccc(O)cc1O 717399217 YBGJGTZSPOAVSC-YVZVNANGSA-N 241.287 0.490 10 10 BCCE C[C@@]1(NCc2ccc(N)cc2)CCNC1=O 1335289588 PHPHVWZSHNHNMH-GFCCVEGCSA-N 219.288 0.637 10 10 BCCE Nc1ccc(CN2CC[C@]3(CNC(=O)C3)C2)cc1 1352788081 BFWCXLXKSJRUQT-AWEZNQCLSA-N 245.326 0.981 10 10 BCCE CC[C@H](O)C(=O)N(CC)CCN=[N+]=[N-] 1888655153 WMWXNQXWTWWKNW-ZETCQYMHSA-N 200.242 0.916 10 10 BCCE COc1ncc(Cl)cc1[C@@H](O)C(=O)C(C)=O 1901593529 LIDXGUHJEIUDCS-SECBINFHSA-N 243.646 0.935 10 10 BCCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1 1906010757 LRRAKZJUXORFOZ-TVYUQYBPSA-N 236.315 0.638 10 10 BCCE C[C@](NCCN=[N+]=[N-])(C(N)=O)C1CSC1 1912193107 MASPUXGYOAOGMR-MRVPVSSYSA-N 229.309 0.493 10 10 BCCE CC(=O)NCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912197416 SXMFQHXPVXSLJZ-ZETCQYMHSA-N 211.225 0.034 10 10 BCCE C[C@H]1OCCO[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912209203 ZLVMRZJUMMCLFM-SVRRBLITSA-N 226.236 0.311 10 10 BCCE CCc1c(C(=O)[C@@H]2CCC(=O)C2=O)nnn1C 1923557554 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O=[N+]([O-])c1ccc([C@H]2NCC[C@@H]2O)c(O)c1 1952077706 OBMVPNCVHJJFLD-WCBMZHEXSA-N 224.216 0.696 10 10 BCCE CN1CCN[C@@H](c2cc(F)cc(F)c2O)C1=O 1952215986 AUVUEZOAPDQHIM-VIFPVBQESA-N 242.225 0.773 10 10 BCCE COC(=O)[C@@H]1C[C@]1(N)c1ccccc1O 1952828506 BJMCZPQCJUYBES-KWQFWETISA-N 207.229 0.739 10 10 BCCE Nc1ccc(CCC(=O)NC[C@H]2C[C@@H]2N)cc1 2016973105 QUPFZLHPZJJHHX-PWSUYJOCSA-N 233.315 0.665 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1[C@@H]2C[C@@H]1CN2 2016988885 JWRILKKKJQIKSW-UASFKTIASA-N 232.287 0.140 10 10 BCCE CN(Cc1ccccc1O)C[C@@]1(O)CCOC1 2017506727 AYAKPLKVWJCXGL-ZDUSSCGKSA-N 237.299 0.975 10 10 BCCE Nc1ccc(CC(=O)NC[C@H]2CC[C@@H]2O)cc1 2025188037 MVHGMRLUFKVEEF-PWSUYJOCSA-N 234.299 0.698 10 10 BCCE Oc1ccccc1CN[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2056802728 ATXDLXFYMCSAAS-HBEIAFGSSA-N 249.310 0.756 10 10 BCCE Cc1cc(N2CC(C(=O)N(C)C)C2)ccc1CN 2057400168 SDEPHZOCAPOTLT-UHFFFAOYSA-N 247.342 0.978 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1C[C@@H]1C(=O)O 2210539999 WAXMIWIEFXWRRO-BQBZGAKWSA-N 226.236 0.866 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@@H]2CN[C@H](CO)[C@H]2C1 2214632257 KEDBWKWQZAORJK-GARJFASQSA-N 239.323 0.589 10 10 BCCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)CCO3)C1 2219576838 RJCJWRXVOJXLNQ-CYBMUJFWSA-N 248.282 0.048 10 10 BCCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]3O)cc1 2258333975 UBJGQRDYVSBLKJ-YABSGUDNSA-N 246.310 0.651 10 10 BCCE Nc1ccc(OCC(=O)NC[C@H]2CC[C@@H]2N)cc1 2259384520 WOPKHUTVQYDUNL-SKDRFNHKSA-N 249.314 0.501 10 10 BCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1C(N)=O 2298454676 AGAOQYZNNFYDPJ-XUTVFYLZSA-N 237.263 0.455 10 10 BCCE COc1ccc([C@H](C)NCc2nnn[nH]2)c(O)c1 44928132 MKZVEGQSDNCRED-ZETCQYMHSA-N 249.274 0.765 10 10 BCCE CC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58239522 URTNEMICQGSWEN-UHFFFAOYSA-N 227.285 0.773 10 10 BCCE CNC(=O)CN(C)c1c(F)cc(CN)cc1F 62710546 ZXBJADZIFGLCLP-UHFFFAOYSA-N 243.257 0.606 10 10 BCCE C[C@H](O)CN1Cc2ccc(N(C)C)cc2[C@@H]1CN 82701775 PBGDGHSAXMIASE-HZMBPMFUSA-N 249.358 0.949 10 10 BCCE C[C@]1(c2cc(N)cc(F)c2O)COCCN1 83354617 XXLDYSFEIBZQMB-LLVKDONJSA-N 226.251 0.949 10 10 BCCE C[C@@H]1OCC[C@@]1(NCCN=[N+]=[N-])C(=O)O 134424777 QWOSPHDAIUIBLU-XPUUQOCRSA-N 214.225 0.519 10 10 BCCE CCC[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 134532169 WGGHVYGACGSTJA-MRVPVSSYSA-N 240.259 0.384 10 10 BCCE CNCc1ccc(N2CCN(C=O)CC2)c(C)c1 213791563 ISOJYIQSUXJNJC-UHFFFAOYSA-N 247.342 0.993 10 10 BCCE COc1ccc(O)c([C@@H](N)CCO)c1F 215765545 PGEMHCTUCVAKIP-LURJTMIESA-N 215.224 0.922 10 10 BCCE C[C@@H]1CC[C@@H]([C@@H](NCCCN=[N+]=[N-])C(N)=O)O1 227075883 ZINZIDIROKELFE-HRDYMLBCSA-N 241.295 0.698 10 10 BCCE O=C([C@H]1CNc2ccccc2N1)N1CC[C@@H](O)C1 229880841 QADCQSMUDZODOC-BXKDBHETSA-N 247.298 0.486 10 10 BCCE O=C1OC[C@H](CO)N1Cc1ccccc1O 257991105 DMVVCULQRGMTSM-VIFPVBQESA-N 223.228 0.705 10 10 BCCE NC[C@H](O)c1c(Br)ccc(O)c1O 258308352 GSRLRIYOTOCHEV-LURJTMIESA-N 248.076 0.852 10 10 BCCE N[C@H](CO)c1cc2oc(=O)sc2cc1O 258510135 SLGOEOHUOZVYGM-RXMQYKEDSA-N 227.241 0.552 10 10 BCCE CN1CCN(c2ccc3c(c2)OCO3)CC1=O 259151529 BSJXPFKQFAUZJK-UHFFFAOYSA-N 234.255 0.694 10 10 BCCE COC[C@@H](CO)NCc1ccc(F)cc1O 294608276 IIFPXZSSSXPWDO-SNVBAGLBSA-N 229.251 0.628 10 10 BCCE COC(=O)CCN(C)S(=O)(=O)N=[N+]=[N-] 308474659 DAXAVHLGLBQUIV-UHFFFAOYSA-N 222.226 0.036 10 10 BCCE COc1cc(O)cc([C@H](N)CC(=O)O)c1O 381282509 YOLLJKMKWIINEL-SSDOTTSWSA-N 227.216 0.581 10 10 BCCE O=C1NOC[C@@H]1NCc1ccc2c(c1)CCO2 393747898 OJNQBVFEAHQLOT-JTQLQIEISA-N 234.255 0.141 10 10 BCCE CCC1(O)CN(Cc2cc(N)ccc2O)C1 395215515 ODQIHDVTYLJZQP-UHFFFAOYSA-N 222.288 0.931 10 10 BCCE Cc1cc([C@H](NCCN=[N+]=[N-])C(N)=O)sn1 404468221 OHMDLPNBXOAEAE-ZETCQYMHSA-N 240.292 0.878 10 10 BCCE COCCS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692908039 ACHKJEPLSWDRKK-QMMMGPOBSA-N 248.308 0.737 10 10 BCCE Cc1ccc(O)c([C@@H](N)[C@@](C)(O)CO)c1 713728898 NCRZCDRKMLPXHU-MNOVXSKESA-N 211.261 0.444 10 10 BCCE N[C@@H](c1cc(Cl)ccc1O)[C@@H](O)C(=O)O 713735875 TWQJSPDMRFCQRH-JGVFFNPUSA-N 231.635 0.491 10 10 BCCE NC[C@H]1CC(C(=O)Nc2ccc(N)cc2)=NO1 852790258 NBSDUGLXJWEIMH-SECBINFHSA-N 234.259 0.311 10 10 BCCE CN(C)Cc1cc(C[C@H](N)C(=O)O)ccc1O 1535715983 OYJQDEQMQLCTED-JTQLQIEISA-N 238.287 0.408 10 10 BCCE CN(C)Cc1cc(N2CCNCC2)ccc1O 1535716801 XOBJNWVCSIZEQR-UHFFFAOYSA-N 235.331 0.863 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H]1C(N)=O 1900608111 WAERKZIOXXWFGB-RQJHMYQMSA-N 225.252 0.267 10 10 BCCE COc1cn(CCCN=[N+]=[N-])c(=O)nc1O 1912157839 UWHOZNGKTSXBSC-UHFFFAOYSA-N 225.208 0.658 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)C2[C@@H]3COC[C@@H]23)C1 1912178684 OUDRMIKUQFGNHI-RNFRBKRXSA-N 208.221 0.400 10 10 BCCE Cn1ncnc1[C@@](C)(O)[C@H](N)c1ccccc1O 1920385038 PTZOUEBEKNFKSP-PWSUYJOCSA-N 248.286 0.428 10 10 BCCE OCc1cnc(Sc2nc[nH]n2)s1 1934275994 HPWCGWABFXKQMI-UHFFFAOYSA-N 214.275 0.905 10 10 BCCE NN[C@H](c1ccnnc1)c1ccccc1O 1936973799 ILGNQYFZDOYIAZ-LLVKDONJSA-N 216.244 0.735 10 10 BCCE NN[C@H](c1ccccc1O)C1[C@H]2COC[C@H]12 1936977647 VAZXLVJRMDKHDH-HOTUBEGUSA-N 220.272 0.789 10 10 BCCE C[C@]1(CO)CCN1Cc1cc(N)ccc1O 1938795288 VREGJJVRHXFRGE-GFCCVEGCSA-N 222.288 0.931 10 10 BCCE CN(Cc1ccccc1O)C(=O)C1(N)COC1 1947900791 OWVXZXMDVUWLTF-UHFFFAOYSA-N 236.271 0.078 10 10 BCCE COC[C@@H](O)c1cc(O)c(O)c(O)c1 1951474339 ZKHHBPLJZYRQAZ-MRVPVSSYSA-N 200.190 0.483 10 10 BCCE C[C@@](N)(CC(=O)O)c1ccc(O)c(O)c1O 1951961068 FLONMTZMFCWBGG-SNVBAGLBSA-N 227.216 0.452 10 10 BCCE Cc1ccc(O)c([C@@H]2CS(=O)(=O)CCN2)c1 1952599389 HZLNEONWLVNNGZ-JTQLQIEISA-N 241.312 0.760 10 10 BCCE [N-]=[N+]=NCCN1CCO[C@H](CCO)C1 1956984414 ZRAPINCOHZJTLT-MRVPVSSYSA-N 200.242 0.380 10 10 BCCE CS(=O)(=O)C1(C(=O)NCCN=[N+]=[N-])CCC1 1963817015 KZZRNPCBSARFDY-UHFFFAOYSA-N 246.292 0.380 10 10 BCCE Cc1cccc(O)c1CN1CC(O)(C(=O)O)C1 1968202803 RKJSWAYWWKKUFE-UHFFFAOYSA-N 237.255 0.332 10 10 BCCE Cc1cccc(N)c1N[C@@H]1C[C@@H](O)C[C@H]1O 1978846484 AVTOOYQNCBVERU-FBIMIBRVSA-N 222.288 0.873 10 10 BCCE NC(=O)[C@@H]1OCC[C@H]1Nc1ccc(N)cc1 1982021050 NHDBSIOPSFEGAL-NXEZZACHSA-N 221.260 0.324 10 10 BCCE CN1C(=O)O[C@@H]2CN(CCCN=[N+]=[N-])C[C@@H]21 1983445692 QTEKUHGMWLAJGK-JGVFFNPUSA-N 225.252 0.822 10 10 BCCE Nc1ccc(OCC(=O)NOCCF)cc1 1989359696 SNJXXRSLJDMMOE-UHFFFAOYSA-N 228.223 0.665 10 10 BCCE CN(Cc1ccccc1O)c1nc(=N)[nH][nH]1 1989685841 VUXZQQRVRLDTPS-UHFFFAOYSA-N 219.248 0.559 10 10 BCCE C[C@H](N[C@@H](CO)[C@H](C)O)c1ccc(F)cc1O 2005848378 VDBGMMVNMCKSAU-LAEOZQHASA-N 243.278 0.924 10 10 BCCE CCn1nnc(CN(C)c2ccc(N)cc2)n1 2020930534 WEBQBKKTOMKSRU-UHFFFAOYSA-N 232.291 0.912 10 10 BCCE CCn1nnc(CN2CCC[C@@H]2CN=[N+]=[N-])n1 2020986192 DGHKUFGRJGMQHK-MRVPVSSYSA-N 236.283 0.968 10 10 BCCE Cc1cccc(Cn2c(O)nn(C)c2=O)c1O 2024801549 FPCIDSRUMLVROI-UHFFFAOYSA-N 235.243 0.350 10 10 BCCE NCc1ccc(N2C[C@H]3COC[C@@H](C2)C3O)cc1 2048831797 DMIRCMDQWRSSHY-ONXXMXGDSA-N 248.326 0.589 10 10 BCCE Nc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 2051565618 QISWNTJNIKZACD-SNVBAGLBSA-N 246.270 0.009 10 10 BCCE CCOC(=O)Cc1cc(N)c(O)c(O)c1 2055139656 XBCSWOGIVKCOTK-UHFFFAOYSA-N 211.217 0.786 10 10 BCCE Cc1cccc(O)c1CN1C[C@@H]2NC(=O)O[C@@H]2C1 2056814340 ZJMXXAKSCOKOFD-CMPLNLGQSA-N 248.282 0.993 10 10 BCCE Nc1ccc(CCN2CC3(CNC(=O)N3)C2)cc1 2057563973 YBLMHMHDUCWAFN-UHFFFAOYSA-N 246.314 0.179 10 10 BCCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1 2214237748 TWYODXXSNUJKED-GFCCVEGCSA-N 236.271 0.122 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CCCO3)C[C@H]1O 2219468458 OGNQVHJQBAVUNF-DGCLKSJQSA-N 249.310 0.801 10 10 BCCE Cn1nnnc1N1CCc2cc(O)c(O)cc2C1 2318674888 JCEPXVVFKBXMMU-UHFFFAOYSA-N 247.258 0.184 10 10 BCCE NC[C@@H]1CNCC[C@H]1c1ccc(O)c(O)c1 211619808 BZMBKTFYZWENSX-ZJUUUORDSA-N 222.288 0.750 10 10 BCCE N[C@H](CO)c1c(O)ccc2c1OCCCO2 212732312 KOYFQDSMCHXUPE-SSDOTTSWSA-N 225.244 0.546 10 10 BCCE COC(OC)[C@H]1OC[C@@H](O)[C@@H]1N=[N+]=[N-] 216342639 FKPFBTSVTITYMF-SRQIZXRXSA-N 203.198 0.044 10 10 BCCE COC(OC)[C@H]1OC[C@@H](OC)[C@H]1N=[N+]=[N-] 216342727 GVDQGFYWBQMEAJ-QYNIQEEDSA-N 217.225 0.698 10 10 BCCE CSCCC[C@@H](NCCN=[N+]=[N-])C(N)=O 231735741 ZFYKYBBERNWXCN-SSDOTTSWSA-N 231.325 0.883 10 10 BCCE NCC(=O)N1C(=O)CCc2cc(N)ccc21 258853521 RINVCINPJZTWAH-UHFFFAOYSA-N 219.244 0.033 10 10 BCCE CN(CCO)c1ccc2c(c1)N(C)C(=O)CO2 258880869 BSGYCENJZYZXNX-UHFFFAOYSA-N 236.271 0.470 10 10 BCCE CN1C(=O)COc2ccc(N(C)C3CNC3)cc21 259210366 ABBAGMPBRCDSQU-UHFFFAOYSA-N 247.298 0.450 10 10 BCCE COC(=O)[C@H](N)c1c(F)ccc(OC)c1O 260181497 QQMRURRHDYCSPF-MRVPVSSYSA-N 229.207 0.713 10 10 BCCE CO[C@H]1OC[C@@H](N=[N+]=[N-])[C@H](OC)[C@@H]1O 307037006 YHJLNJCNJOILHG-BWBBJGPYSA-N 203.198 0.044 10 10 BCCE COc1ccc([C@@H]2COCC(=O)N2)c(O)c1 309215659 VGBRUABNVQOLFN-VIFPVBQESA-N 223.228 0.588 10 10 BCCE O=C(N[C@H]1CCC[C@H]1O)c1cc(O)nc(O)c1 323016508 WZIGSUYIYSTPRT-JGVFFNPUSA-N 238.243 0.136 10 10 BCCE Oc1cccc(CNCCCn2cncn2)c1O 381887500 IXERRKJSNQNLMJ-UHFFFAOYSA-N 248.286 0.869 10 10 BCCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 388386944 RCWLMJGBWPQKBV-MKCWBWRRSA-N 247.298 0.456 10 10 BCCE O=C1NCC[C@H]1NCc1ccc(F)c(F)c1O 703328421 NNYCMWKCTHGECF-MRVPVSSYSA-N 242.225 0.649 10 10 BCCE OCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1 704447180 MJCDZOMUTUVFIU-RYUDHWBXSA-N 237.299 0.216 10 10 BCCE Cc1cccc(CN[C@@H]2CCOC[C@@H]2O)c1O 706720918 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0.222 10 10 BCCE O=C1C[C@@H]2Oc3ccc(O)c(C(=O)O)c3[C@H]2O1 82301836 YQQFVMISKNCQNN-WKEGUHRASA-N 236.179 0.839 10 10 BCCE Oc1cccc(CNc2nnn[nH]2)c1O 83344934 RECBDWUPIMMQKH-UHFFFAOYSA-N 207.193 0.223 10 10 BCCE N[C@H](c1nnc(C=O)o1)c1cccc(O)c1O 83361754 FZPMKBGIFCBZLO-QMMMGPOBSA-N 235.199 0.341 10 10 BCCE CC(C)(N)C(=O)Oc1ccc(O)c(O)c1 144005812 ONKUINCGKSVEEC-UHFFFAOYSA-N 211.217 0.741 10 10 BCCE COC(=O)N1CC[C@@H](N=[N+]=[N-])[C@](C)(O)C1 202823167 NBRJBKVUMIYJKZ-HTRCEHHLSA-N 214.225 0.888 10 10 BCCE COc1ccc2c(c1)N1CCNC[C@@H]1CN2C 214020231 XMBUYCKQDJYWIS-SNVBAGLBSA-N 233.315 0.923 10 10 BCCE CN(C)CCc1ccc(O)c(CNO)c1 257972210 CXGVNNOMUMLAEZ-UHFFFAOYSA-N 210.277 0.975 10 10 BCCE N[C@](C(=O)O)(c1ccccc1O)C(F)F 258443149 LDBOSPBNVJLXJI-SECBINFHSA-N 217.171 0.896 10 10 BCCE CNC(=O)CCS(=O)(=O)CCCN=[N+]=[N-] 399190571 YSDWHVLYBXTFCT-UHFFFAOYSA-N 234.281 0.238 10 10 BCCE CO[C@@]1(CO)CCCN(CCN=[N+]=[N-])C1 402671216 CLPYWBVAFBTIOG-VIFPVBQESA-N 214.269 0.770 10 10 BCCE 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O=C(O)COC1CN(Cc2ccccc2O)C1 1941233720 PXGKELZXTJPSNK-UHFFFAOYSA-N 237.255 0.678 10 10 BCCE COC[C@@H](NCc1cccc(C)c1O)C(N)=O 1947019976 ZZDYLTQTNKCUEG-SNVBAGLBSA-N 238.287 0.291 10 10 BCCE OC[C@@]1(c2cc(O)c(O)c(O)c2)CCNC1 1951732103 HHMQDXDVQLIFHX-LLVKDONJSA-N 225.244 0.027 10 10 BCCE N[C@@H]1CO[C@H](Cc2ccc(O)c(O)c2)C1 1952212211 SIBNUWKUAGCMTJ-DTWKUNHWSA-N 209.245 0.757 10 10 BCCE N[C@]1(c2cccc(O)c2O)C[C@@H]1C(=O)O 1952773726 ZQAQVQWGVAXMSZ-LDWIPMOCSA-N 209.201 0.356 10 10 BCCE CN1CC(NCc2c(O)cccc2F)C1 1958763837 QUXBBJCJJDZAMJ-UHFFFAOYSA-N 210.252 0.935 10 10 BCCE O=C1NCC[C@H]1NCc1ccc(F)cc1O 1964578047 CCUJUGYPAVJOCC-SECBINFHSA-N 224.235 0.509 10 10 BCCE C[C@](N)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC1 1980377137 LGXAULDQHNFRTO-JWKOBGCHSA-N 224.304 0.379 10 10 BCCE CN(Cc1ccccc1O)[C@H]1CC(=O)NC1=O 2004296055 SUOUELHAWURVQG-VIFPVBQESA-N 234.255 0.239 10 10 BCCE N=c1[nH]cc(F)c(=NCc2ccc(N)cc2)[nH]1 2005722528 OHRAICYZZYUMRV-UHFFFAOYSA-N 233.250 0.644 10 10 BCCE CN1CCO[C@H](C(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 2014377278 ARQDAMXAXCAYTM-IUCAKERBSA-N 239.279 0.228 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1CC[C@H](N)C1 2016986749 OXHMXERWFAPANZ-JGVFFNPUSA-N 234.303 0.659 10 10 BCCE OC[C@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 2029844742 PBSHDYMTEBAZTG-STQMWFEESA-N 249.310 0.718 10 10 BCCE C[C@@H](N)c1ccc2c(c1)CCN2C[C@@H]1CC(=O)N1 2031849991 JVDLNBMCWBVXHM-SKDRFNHKSA-N 245.326 0.957 10 10 BCCE N[C@]12CC[C@@H]1CN(C(=O)c1ccc(O)c(O)c1)C2 2034323156 VQQPJSKXNLHXHY-RNCFNFMXSA-N 248.282 0.661 10 10 BCCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)N3)C2)cc1 2057562806 KJLLSVGAGYOSTH-SECBINFHSA-N 246.314 0.578 10 10 BCCE OCc1ccc(N2C[C@H]3CCO[C@@]3(CO)C2)cc1 2223434609 JYGQTNYADVZLGW-TZMCWYRMSA-N 249.310 0.767 10 10 BCCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H](CO)O[C@H]2C1 2245251036 RJETVDGUVVWGKF-AEJSXWLSSA-N 226.280 0.768 10 10 BCCE CNCc1ccc(N2CCC[C@@H]2C(N)=O)cc1 34824494 JAOVVSRJXYFBEU-GFCCVEGCSA-N 233.315 0.860 10 10 BCCE CCNC(=O)NCc1cc(N)ccc1O 36743711 UUHAAVJMNZLOLR-UHFFFAOYSA-N 209.249 0.794 10 10 BCCE O=C(CSc1nccs1)N1CCNCC1 43403206 HXSGDKGVFPVRJK-UHFFFAOYSA-N 243.357 0.667 10 10 BCCE C[C@@H](CN)n1c2c([nH]c1=S)CC[S@](=O)C2 75185536 LCAFLBMYGXEEJO-WDDATRMLSA-N 245.373 0.870 10 10 BCCE COC(=O)C[C@@H](N)c1cc(O)ccc1O 95638019 YNCPLOMGVXMEDO-MRVPVSSYSA-N 211.217 0.661 10 10 BCCE [N-]=[N+]=N[C@@H]1C(=O)N2C(C(=O)O)=CC=C[C@@H]12 138274854 YAYHJIPVKZYQPF-NJGYIYPDSA-N 206.161 0.414 10 10 BCCE COc1cccc(N2N=C(NC(C)=O)CC2=O)c1 196610845 KNIFFCXZCRDOLO-UHFFFAOYSA-N 247.254 0.882 10 10 BCCE COC(OC)[C@@H]1OC[C@@H](O)[C@H]1N=[N+]=[N-] 200907034 FKPFBTSVTITYMF-HSUXUTPPSA-N 203.198 0.044 10 10 BCCE CC[C@H](CCO)NC(=O)c1ccc(O)c(O)c1 227040743 NCSGCUYLFGBKJC-SECBINFHSA-N 239.271 0.989 10 10 BCCE CN(C=O)[C@@H](C(=O)O)c1cc(F)ccc1O 234285105 OVQLFBCRWLHRGC-SECBINFHSA-N 227.191 0.745 10 10 BCCE Nc1cc(O)ccc1NS(=O)(=O)C1CC1 236348664 PLEMSNQXRZYUHK-UHFFFAOYSA-N 228.273 0.879 10 10 BCCE NOCCc1c(O)c(O)cc(O)c1Cl 258149889 KMGMIPVIEOYYKY-UHFFFAOYSA-N 219.624 0.890 10 10 BCCE CNC(=O)N1C(=O)Cc2cc(N)ccc21 258784823 ZBSGDSHPQIGESE-UHFFFAOYSA-N 205.217 0.497 10 10 BCCE Cn1ccc(-c2ncnc(N)c2[N+](=O)[O-])cc1=O 314819623 QMWVFGHBFABUJU-UHFFFAOYSA-N 247.214 0.333 10 10 BCCE COc1cccc([C@@H]2NCC(=O)N2C)c1O 381587808 IHGNSBACYHCSBL-LLVKDONJSA-N 222.244 0.461 10 10 BCCE COCC(COC)NCc1ccc(O)cc1O 388452975 ZBHLRBAUJCKOLV-UHFFFAOYSA-N 241.287 0.849 10 10 BCCE Cc1ccc([C@@H](CCO)NC(=N)N)c(O)c1 396431772 GYWSPYUYSDSKOA-SECBINFHSA-N 223.276 0.607 10 10 BCCE Cn1ncc(-c2ccn(C)c(=O)c2)c1CN 691937174 ABDLXLOZQGEYFV-UHFFFAOYSA-N 218.260 0.245 10 10 BCCE CNC(=O)[C@H](C)NCc1ccc(F)c(F)c1O 703216733 ZAVMNFJSSNOMFK-LURJTMIESA-N 244.241 0.895 10 10 BCCE Nc1cccc(F)c1N[C@H]1COCC[C@H]1O 710890991 HDRWFIPQUMTIRE-VHSXEESVSA-N 226.251 0.970 10 10 BCCE CC(=O)C(=O)COC(=O)c1cccnc1C 808516990 UFWPTJBZVDRIQL-UHFFFAOYSA-N 221.212 0.705 10 10 BCCE CO[C@@H](C)C(=O)NCc1cc(O)ccc1O 1593872937 HFKXSZHFVHVJJD-ZETCQYMHSA-N 225.244 0.749 10 10 BCCE CC(C)NC(=O)[C@@H](C)N1CC(N=[N+]=[N-])C1 1912164042 RMPKPQUUVNOQOF-SSDOTTSWSA-N 211.269 0.894 10 10 BCCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)C[C@@H]2OCC[C@@H]21 1912167263 IXUAQQAGTPYBDI-ZKWXMUAHSA-N 226.236 0.519 10 10 BCCE CN(CC(=O)Nc1ccc(N)cc1)C1COC1 1915748012 NRIARXOSHZTXLQ-UHFFFAOYSA-N 235.287 0.538 10 10 BCCE CC(=O)C(=O)[C@]1(O)CCOCCC1(F)F 1932856706 LSSXJKKEAINUEP-MRVPVSSYSA-N 222.187 0.321 10 10 BCCE C[C@H]1CC(=O)CN1C(=O)c1ccc(O)c(O)c1 1941428327 XZSAJQIHNSOLTG-ZETCQYMHSA-N 235.239 0.901 10 10 BCCE OC[C@@H]1COC[C@H]1NCc1cccc(F)c1O 1942686564 XGRZDCLAJGHECV-MWLCHTKSSA-N 241.262 0.628 10 10 BCCE CN1CCC[C@@H](NCc2ccc(N)cc2)C1=O 1944077951 LUMVFNHKPREEMQ-GFCCVEGCSA-N 233.315 0.979 10 10 BCCE NC1CC(C(=O)O)(c2cc(O)c(O)c(O)c2)C1 1952523015 HAMLUEHKXSYWHK-UHFFFAOYSA-N 239.227 0.247 10 10 BCCE COCc1ocnc1[C@H](O)C(=O)C(C)=O 1961756807 JBWGFMUIYRUNFF-VIFPVBQESA-N 213.189 0.013 10 10 BCCE Nc1ccc(NC(=O)N[C@@H]2CCNC2)cc1 1989307235 GSSGTBMGIAMNRM-SNVBAGLBSA-N 220.276 0.752 10 10 BCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccccc1 2014496531 CDNSBQCDVBJPFC-NWDGAFQWSA-N 232.283 0.668 10 10 BCCE Cc1ccc(O)c(CNC2([C@H](O)CO)CC2)c1 2015912831 NNZQBCHJYAARBJ-GFCCVEGCSA-N 237.299 0.676 10 10 BCCE C[C@@H](O)c1cc(F)c(N(C)CC(N)=O)c(F)c1 2018607990 DBZJCFFZTVRUCW-ZCFIWIBFSA-N 244.241 0.940 10 10 BCCE N[C@@H](c1ccccc1O)[C@@]1(O)CN2CCC1CC2 2031154248 PAVPZZFCAMKDFP-UONOGXRCSA-N 248.326 0.849 10 10 BCCE Nc1ccc(OCCN2C[C@@H]3C[C@H](C2)C3O)cc1 2052757107 NBRYVLDOGHPKAY-BVUQATHDSA-N 248.326 0.960 10 10 BCCE Nc1ccc(CCN2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2056811436 HILPHHKXEYUNJZ-RYUDHWBXSA-N 247.298 0.604 10 10 BCCE Nc1ccc(OCC(=O)N2C[C@@H]3COC[C@H]32)cc1 2066308068 FHQPYVVMGBZJQA-BXKDBHETSA-N 248.282 0.505 10 10 BCCE N[C@@H]1CC(C(=O)N2CCc3ccccc32)=C[C@@H]1O 2067757554 RHVVPNLEBCWDQU-YPMHNXCESA-N 244.294 0.594 10 10 BCCE CO[C@@H]1COC[C@H]1N1CCc2cc(CN)ccc21 2069539862 PDSHZDXCLGJIMY-ZIAGYGMSSA-N 248.326 0.922 10 10 BCCE [N-]=[N+]=NCCn1ncc2c(N)ncnc21 2080966134 BHOOKANKMAIPHN-UHFFFAOYSA-N 204.197 0.719 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1CCOCC(N)=O 2212754034 HREHWELXPJVJFQ-MRVPVSSYSA-N 227.268 0.263 10 10 BCCE Cc1cc(N2CC(O)(CO)C2)ccc1[C@@H](C)N 2248955736 ZWLVKYYXPCKMEZ-SNVBAGLBSA-N 236.315 0.558 10 10 BCCE Nc1ccc(CN2C(=O)[C@H]3COC[C@@H]3C2=O)cc1 2316426248 JMSMQTBNNKAICS-QWRGUYRKSA-N 246.266 0.400 10 10 BCCE CNC(=S)NCCSCc1c[nH]cn1 5114039 XOJHLCFQADZPHU-UHFFFAOYSA-N 230.362 0.737 10 10 BCCE in-vitro CC(=O)NCCN[C@@H](C)c1ccc(O)cc1O 20148860 IDVXHLSWHSPMSZ-QMMMGPOBSA-N 238.287 0.885 10 10 BCCE C[C@@H](NC(=O)Nc1ccc(N)cc1)C(N)=O 35796483 RMIRBYHTDUOXMP-ZCFIWIBFSA-N 222.248 0.264 10 10 BCCE C[C@@H](NCc1nnn[nH]1)c1cc(O)ccc1O 44927565 YVSCQXLUTOWFCV-ZCFIWIBFSA-N 235.247 0.462 10 10 BCCE N[C@@H](C(=O)O)c1cc(O)c(O)cc1Cl 59307549 SMOIGOTXJBMQDJ-SSDOTTSWSA-N 217.608 0.836 10 10 BCCE NCc1ccc2c(c1)CCCN2CCC(N)=O 62801582 HZXCXBNRMIFXNJ-UHFFFAOYSA-N 233.315 0.773 10 10 BCCE CC[C@@H]1C(=O)NCCN1Cc1cc(N)ccc1O 104129312 DHMSUXOHDYHGBP-LLVKDONJSA-N 249.314 0.685 10 10 BCCE C[C@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CN1C 127312754 UWHQZYOWEDFOMX-WCBMZHEXSA-N 240.311 0.225 10 10 BCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H](O)C3)cc21 155750979 GKYBKAOFBQKLMH-CABZTGNLSA-N 247.298 0.234 10 10 BCCE CN(CC(N)=O)c1ccc2c(c1)CCO2 158526717 CTQGWQVLOYADIR-UHFFFAOYSA-N 206.245 0.543 10 10 BCCE COc1ccc(O)c([C@@H](N)C(=O)O)c1F 215757840 OIGVKEDGOFZLQL-MRVPVSSYSA-N 215.180 0.624 10 10 BCCE Nc1ccc(OCCN2CCC2=O)cc1 229684097 TWNGNMLHFVXFLB-UHFFFAOYSA-N 206.245 0.880 10 10 BCCE Cc1cc(C[C@@H](N)C(=O)O)c(O)c(O)c1C 258579224 WYLQABOPGJHPNY-MRVPVSSYSA-N 225.244 0.669 10 10 BCCE CN(CCCO)C(=O)[C@H]1CNc2ccccc2N1 302376946 HXWJSEOSVJDNFQ-GFCCVEGCSA-N 249.314 0.733 10 10 BCCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](C)O 386923238 PSRQJIOBFQNRFK-JGVFFNPUSA-N 239.271 0.980 10 10 BCCE OC[C@]1(NCc2ccc(O)c(O)c2)CCOC1 393897730 WPGPOUOKRSNNNT-GFCCVEGCSA-N 239.271 0.339 10 10 BCCE COC[C@H](CN(C)CCN=[N+]=[N-])OC 691269666 DRHLJNIBJYTRNA-QMMMGPOBSA-N 202.258 0.890 10 10 BCCE COC[C@H](N)[C@H](N)c1c(O)cccc1OC 713772127 MNPBPAWMNQUJNP-CPCISQLKSA-N 226.276 0.374 10 10 BCCE OC/C=C\CNCc1cccc(O)c1O 717533033 LZEDGXPSYFOHNO-UPHRSURJSA-N 209.245 0.736 10 10 BCCE CNCCS(=O)(=O)Nc1ccc(O)c(F)c1 722226980 YHXZALBNZNGVLB-UHFFFAOYSA-N 248.279 0.492 10 10 BCCE O=C1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)O1 871206567 AOLSEBCCAJEQRN-LLVKDONJSA-N 247.250 0.940 10 10 BCCE C[C@](N)(CO)c1ccc(N2CCOCC2)cc1 1535874371 LGUFPXOFBPKNBN-ZDUSSCGKSA-N 236.315 0.689 10 10 BCCE COc1ccc(CNCC2OCCO2)c(O)c1 1892568086 ZSUVQNQHXOEBCO-UHFFFAOYSA-N 239.271 0.863 10 10 BCCE CO[C@@H]1COC[C@H]1N(C)CCN=[N+]=[N-] 1912188219 OEOQRWLBFMVCTI-HTQZYQBOSA-N 200.242 0.642 10 10 BCCE CCN(C)C[C@H](O)CN1CC[C@H](CN=[N+]=[N-])C1 1912190112 ZEVWTLRUQKBOAV-MNOVXSKESA-N 241.339 0.931 10 10 BCCE NN[C@H](c1cnco1)c1ccccc1O 1929823800 REIITEUQVGRBIE-JTQLQIEISA-N 205.217 0.933 10 10 BCCE O=C(O)[C@H]1CO[C@H](c2ccc(O)c(O)c2)N1 1935943394 CTTWHZRUNPJVTQ-HZGVNTEJSA-N 225.200 0.169 10 10 BCCE N[C@H](c1ccccc1O)[C@H]1CN2CCN1CC2 1942391241 DOBOHHVHHIGADA-DGCLKSJQSA-N 233.315 0.392 10 10 BCCE 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10 10 BCCE O=C(NC1(C2CNC2)CC1)c1cccc(O)c1O 2033963432 JIXKMJUIISTUSG-UHFFFAOYSA-N 248.282 0.580 10 10 BCCE O=C(c1cccc(O)c1O)N1CCN[C@H]2CC[C@@H]21 2049365210 AFKWPBSSHLKKFY-UWVGGRQHSA-N 248.282 0.674 10 10 BCCE OC[C@H]1CN(c2ccc3c(c2)CC[C@H]3O)CCO1 2065076603 HMTVWVUJLUBJFI-TZMCWYRMSA-N 249.310 0.864 10 10 BCCE Nc1cc2c(cc1N1CC3(CNC3)C1)OCCO2 2071855239 LUGQXNWKPFAEMD-UHFFFAOYSA-N 247.298 0.450 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)c1cccn(C)c1=O 2214897780 INRMGUFCAKITLN-UHFFFAOYSA-N 235.247 0.768 10 10 BCCE O=C1N=C(c2ccc(O)c(O)c2)NC12CC2 2243584812 RENSCEFENPXFPG-UHFFFAOYSA-N 218.212 0.507 10 10 BCCE N[C@@H]1C[C@]12C[C@@H]2C(=O)NCc1ccccc1O 2248163022 HRZXXYBWXWDMED-XWIASGKRSA-N 232.283 0.746 10 10 BCCE COC(=O)NC1CN(c2ccc(CO)cc2)C1 2306926619 JZCVJOGACOGXFJ-UHFFFAOYSA-N 236.271 0.724 10 10 BCCE OCc1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1 2310821481 AQPNDWGJKNYZFI-RFGFWPKPSA-N 249.310 0.642 10 10 BCCE Nc1ccc(Nc2nncc(=O)[nH]2)cc1 19689624 PLTYVCCZRWZRFE-UHFFFAOYSA-N 203.205 0.491 10 10 BCCE 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Nc1ccc(N2CC(n3ccnn3)C2)cc1 1980777916 GKJJCBRQOWJEFT-UHFFFAOYSA-N 215.260 0.922 10 10 BCCE C[C@@H]1OCC[C@H]1[C@H](NCCN=[N+]=[N-])C(N)=O 1988451754 HYLMRUZZTAWKDG-RNJXMRFFSA-N 227.268 0.165 10 10 BCCE C[C@@]1(C(=O)NCCCN=[N+]=[N-])COCCO1 1992628908 NIRGKZZXOHNMJT-VIFPVBQESA-N 228.252 0.609 10 10 BCCE CO[C@]1(C(=O)N(C)CCN=[N+]=[N-])CCCOC1 2001500241 YKZYZKGOFLYAFD-SNVBAGLBSA-N 242.279 0.951 10 10 BCCE OCCc1noc(-c2cc(O)c(O)c(O)c2)n1 2015118920 FGXBKDZQAWHBEJ-UHFFFAOYSA-N 238.199 0.388 10 10 BCCE Cc1cccc(CNC(=O)OC2CNC2)c1O 2024803790 FJGRWBFJAAPUNR-UHFFFAOYSA-N 236.271 0.899 10 10 BCCE CN(C)c1ccc2c(c1)CCN2Cc1nn[nH]n1 2026940440 WOTOQBHZZRWWAW-UHFFFAOYSA-N 244.302 0.828 10 10 BCCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H]3CO)cc21 2031692534 YSZKISJBHFKKFS-SKDRFNHKSA-N 247.298 0.234 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@@H](O)[C@H]1C2 2056982972 WIAAPHDOMLENBA-BCMRRPTOSA-N 249.266 0.693 10 10 BCCE O=C(c1cccc(O)c1O)N1CC2(CC[C@H]2O)C1 2059149268 UHFNEDGCWWWIPI-SNVBAGLBSA-N 249.266 0.695 10 10 BCCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1[C@@H]2CNC[C@@H]21 2071684426 ISOFBJBTUUPBAD-DABQJJPHSA-N 245.326 0.488 10 10 BCCE Nc1ccc(CCC(=O)N[C@@H]2[C@@H]3C[C@@H]2CN3)cc1 2071729533 KECVPPDOCDXYRL-OSMZGAPFSA-N 245.326 0.678 10 10 BCCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O1 2214137305 SZOOYKBREZBKAN-ZHAHWJHGSA-N 235.283 0.552 10 10 BCCE O=c1c2c(ccn1Cc1ccno1)CCNC2 2215526401 AYISUOPIEVWRLV-UHFFFAOYSA-N 231.255 0.530 10 10 BCCE CN(C)c1ccc([C@@H](N)P(=O)(O)O)cc1 3246646 ZJZJSZIPEGOHEG-VIFPVBQESA-N 230.204 0.888 10 10 BCCE COC[C@H](O)CNCc1cccc(O)c1O 70589756 JLLMKFKRHHZKEO-SECBINFHSA-N 227.260 0.195 10 10 BCCE CNCc1nnc([C@H](N)c2ccccc2O)o1 83360843 VGDXWHILRFMDSL-SNVBAGLBSA-N 234.259 0.543 10 10 BCCE C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCN1 83813940 PTTHLOFIPJADFB-SECBINFHSA-N 222.288 0.892 10 10 BCCE CC(=O)[C@H]1C(=O)c2cccc(O)c2C1=O 105608829 KQKCXLYTMDLWRJ-QMMMGPOBSA-N 204.181 0.976 10 10 BCCE CC(C)(CO)CNC(=O)c1cc(O)nc(O)c1 135154462 XGEYFJSRHXRXLV-UHFFFAOYSA-N 240.259 0.241 10 10 BCCE COc1ccc2c(c1)O[C@@H](CO)CN2C 217341704 YANUCZQDHHPVDE-SECBINFHSA-N 209.245 0.885 10 10 BCCE CN1CC[C@@H](N)[C@H]1Cc1ccc(O)c(O)c1 250610909 MPKYASOLSKGTLX-NXEZZACHSA-N 222.288 0.672 10 10 BCCE CN(c1cc[nH]c1)c1nc(N)nc2c1CNCC2 258951419 ZILHAZSLVZFVRL-UHFFFAOYSA-N 244.302 0.801 10 10 BCCE COC(=O)C[C@@H](N)c1ccc(C)c(O)c1O 260543203 XBBISMIODWIVSJ-MRVPVSSYSA-N 225.244 0.969 10 10 BCCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@H](CO)O1 299910207 LMHUKNIWLVFJBM-HTQZYQBOSA-N 200.242 0.378 10 10 BCCE NC(=O)C[S@](=O)CCCc1ccc(N)cc1 304393305 AIPMDIXHZJLVLB-MRXNPFEDSA-N 240.328 0.435 10 10 BCCE CC(C)[C@@H](O)[C@H](N)c1c(O)cc(O)cc1O 396851352 UKYLKWLWMYJMSA-GHMZBOCLSA-N 227.260 0.820 10 10 BCCE COc1cc(O)c(CN)cc1CN(C)C 642880412 QGZSBKRTMMZJDS-UHFFFAOYSA-N 210.277 0.921 10 10 BCCE Cn1nnnc1C(=O)Cc1ccc(N)cc1 687873527 JCZASKPDIBOFRY-UHFFFAOYSA-N 217.232 0.218 10 10 BCCE Cn1ncc(CNC(=O)c2cc(O)cs2)n1 807775641 OTMQHEHBZHPYOR-UHFFFAOYSA-N 238.272 0.512 10 10 BCCE CC(=O)C(=O)COC(=O)c1ccoc1C 808497477 QPYVMLQQPDLVBQ-UHFFFAOYSA-N 210.185 0.903 10 10 BCCE CC(=O)C(=O)COC(=O)c1c[nH]nc1C(C)C 808503202 GWYIYQJYTZSMCO-UHFFFAOYSA-N 238.243 0.848 10 10 BCCE CO[C@@H]1CCC[C@@H](C(=O)OCC(=O)C(C)=O)C1 814556854 FQCITESMIGYYAM-NXEZZACHSA-N 242.271 0.893 10 10 BCCE N[C@@H](C(=O)O)C1(c2cccc(O)c2O)CC1 1535738194 YMZXSRARTNRRFS-VIFPVBQESA-N 223.228 0.541 10 10 BCCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(N)=O 1588156380 XMBNAAWAULNRCX-ZJUUUORDSA-N 248.282 0.472 10 10 BCCE C[C@H](CN1CCOCC1)CN1CC(N=[N+]=[N-])C1 1912209044 YGNPQLRQTRTAGM-SNVBAGLBSA-N 239.323 0.949 10 10 BCCE COc1ncc([C@@H](O)C(=O)C(C)=O)s1 1929188686 XGBRZVSEWKOQTN-SSDOTTSWSA-N 215.230 0.343 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@]2(O)CCOC2)C1 1980667126 RJBFTHBOKKWGCM-NXEZZACHSA-N 226.280 0.913 10 10 BCCE Nc1cnc(=NCc2ccccc2O)[nH]c1 1982347783 OXKQYNTXIJCPKP-UHFFFAOYSA-N 216.244 0.798 10 10 BCCE Nc1ccc(O)c(CNC(=O)C2COC2)c1 1983261731 PCDJHSGRMCLLMR-UHFFFAOYSA-N 222.244 0.237 10 10 BCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 1997934696 KSDDCWNHPMOSOL-GWNIPJSYSA-N 235.283 0.109 10 10 BCCE CNC(=O)NCCNCc1c(O)cccc1F 1997950839 LTTLFAVRMWHOGB-UHFFFAOYSA-N 241.266 0.550 10 10 BCCE C[C@H](NC(=O)c1nn[nH]n1)c1ccccc1O 2017516027 BJXGRSHGSDLSIQ-LURJTMIESA-N 233.231 0.396 10 10 BCCE NC(=O)[C@@]1(Oc2ccc(N)cc2)CCCNC1 2021716956 STDMAODMKLRNJA-GFCCVEGCSA-N 235.287 0.255 10 10 BCCE CN[C@@H](C)c1ccc(N2CC[C@@H]2C(N)=O)cc1O 2028925949 DKPFHEAPSIEIQU-GZMMTYOYSA-N 249.314 0.737 10 10 BCCE C[C@H](N)c1ccc(N2C[C@H](N(C)C)[C@H](O)C2)cc1 2029433182 HOSCDYOPPMQYBC-LEWSCRJBSA-N 249.358 0.817 10 10 BCCE CN1CCc2cc([C@H](O)[C@@H]3COC[C@H]3N)ccc21 2044720082 SQEZUFOOECORNW-BZPMIXESSA-N 248.326 0.686 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CCn3ncnc3C2)C1 2046637761 RJSZEWDEOGBUTO-ZETCQYMHSA-N 247.262 0.362 10 10 BCCE N[C@@H]1C(=O)Nc2cc(N3CC=C[C@H]3CO)ccc21 2056282902 PUJHWYPJJZTFSA-CABZTGNLSA-N 245.282 0.376 10 10 BCCE OCc1cn(-c2ccc(O)c(O)c2)nc1O 2070660893 BIKZSLOZUIUZHF-UHFFFAOYSA-N 222.200 0.481 10 10 BCCE Nc1ccc(CC(=O)NC[C@@]2(N)CCOC2)cc1 2071722592 IMRCANXIAHDULI-ZDUSSCGKSA-N 249.314 0.045 10 10 BCCE CCn1nnnc1[C@H](O)[C@H](N)c1ccccc1O 2075430712 XIQFBTZHDYTJCT-NXEZZACHSA-N 249.274 0.132 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 2210540314 WNWVNYAMIOVTBP-VQVTYTSYSA-N 224.220 0.618 10 10 BCCE COc1ccc(N2C[C@@H](O)C[C@H]2CO)c(C)c1 2214199451 WTZPHTLUMMMAFS-QWRGUYRKSA-N 237.299 0.936 10 10 BCCE CN(CCO)[C@H](CN)c1ccccc1O 32021239 YYBSLGDUJBNVIE-SNVBAGLBSA-N 210.277 0.316 10 10 BCCE Nc1ccc(O)c(CN2CCC[C@@H](O)C2)c1 36798334 MLOVPABWZUHQHX-LLVKDONJSA-N 222.288 0.931 10 10 BCCE COc1cc([C@@H](N)CO)c(O)c([N+](=O)[O-])c1 72198629 LQGPOYDVBHMZJS-ZETCQYMHSA-N 228.204 0.301 10 10 BCCE NC[C@H](O)Cc1nccn1-c1ccc(N)cc1 76165942 BFTPUDXUXWENGL-LLVKDONJSA-N 232.287 0.317 10 10 BCCE CC1(C)Oc2ccc([C@@H](N)CN)c(O)c2O1 95770400 XPCLIROMYBQOFN-ZETCQYMHSA-N 224.260 0.858 10 10 BCCE COc1ccc([C@H](N)CCO)c(O)c1OC 95781412 RJHUKFJKJMBNPL-MRVPVSSYSA-N 227.260 0.792 10 10 BCCE CNCc1ccc(N2CCNC(=O)[C@@H]2C)cc1 110661789 SFEXQUUOJUBBIC-JTQLQIEISA-N 233.315 0.731 10 10 BCCE COC(=O)[C@@H]1OC[C@@H](OC)[C@H]1N=[N+]=[N-] 200909371 APEZAAZPVCVTBH-HSUXUTPPSA-N 201.182 0.252 10 10 BCCE CCOc1ccc(N2CC(=O)N[C@H](CN)C2)cc1 214404234 UVKUFCKUZYETFJ-SNVBAGLBSA-N 249.314 0.349 10 10 BCCE C[C@]1(F)C[C@H](O)[C@@H]2[C@@H](N=[N+]=[N-])C(=O)N2C1 238457929 VPISANWGWZGWPY-FJDLHZNMSA-N 214.200 0.369 10 10 BCCE O=C1NN=C(C2CC2)/C1=C\c1ncc[nH]1 238637181 LQKBCXPGVMPAKP-FNORWQNLSA-N 202.217 0.689 10 10 BCCE Oc1cccc([C@]2(O)CCCNC2)c1O 238684658 AILLXFLSVDENLS-NSHDSACASA-N 209.245 0.669 10 10 BCCE COC(=O)[C@H]1C[C@@H](c2ccccc2O)N1 259043156 ARFLEIFSPFAKIB-DTWKUNHWSA-N 207.229 0.968 10 10 BCCE NC1(c2cc(O)c(O)cc2C(=O)O)CC1 259563299 VTHIMSPGDFYOHF-UHFFFAOYSA-N 209.201 0.744 10 10 BCCE COC(=O)[C@@H](N)c1ccc2ncoc2c1O 259990895 LKOYTKGEZSSFMN-ZETCQYMHSA-N 222.200 0.706 10 10 BCCE COc1cccc([C@H]2NC(=O)[C@@H](C)N2)c1O 309906473 KKQUQNXKJJMJIM-LHLIQPBNSA-N 222.244 0.507 10 10 BCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC[C@H]2C[C@H]21 379968571 HUGOJWNXFMVPGC-LKEWCRSYSA-N 209.253 0.540 10 10 BCCE CCNCc1ccc(N2CC(C(N)=O)C2)cc1 381996059 XWHUWJHLVULFBP-UHFFFAOYSA-N 233.315 0.718 10 10 BCCE Cn1cnnc1NC(=O)COc1ccc(N)cc1 382390450 OARLLBWAOLGEKY-UHFFFAOYSA-N 247.258 0.415 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 386736746 DCUNGFDYZBUFJO-GJMOJQLCSA-N 210.237 0.980 10 10 BCCE CN(C)c1ccc(CNCc2nc(O)n[nH]2)cc1 392383332 VCFCNYHOMJBGPU-UHFFFAOYSA-N 247.302 0.866 10 10 BCCE NC[C@@H]1CNC[C@H]1c1ccc(O)c(O)c1 396789052 PSJBXVWUKHEWGS-BDAKNGLRSA-N 208.261 0.360 10 10 BCCE O=C(NCc1cnccn1)c1cccc(O)c1O 698088722 PUOAQXKMEIAABE-UHFFFAOYSA-N 245.238 0.818 10 10 BCCE O=C(NCCc1cc[nH]n1)c1cc(O)nc(O)c1 714559240 JIPCCVLHGRLZFJ-UHFFFAOYSA-N 248.242 0.188 10 10 BCCE CN[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1O 716699700 RTAWPSDTJLSQRB-JGVFFNPUSA-N 238.287 0.824 10 10 BCCE CS(=O)(=O)c1cnn(CCN=[N+]=[N-])c1 725242264 QKLTYUJAAWQGQN-UHFFFAOYSA-N 215.238 0.597 10 10 BCCE COc1cc(C[C@@H](OC)C(=O)O)cc(O)c1O 1535812818 CQSUIGYJJBVHQL-SECBINFHSA-N 242.227 0.749 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1912183113 LDRBEPUZWLTHQE-LURJTMIESA-N 247.262 0.431 10 10 BCCE C[C@H]1CN(Cc2cc(N)ccc2O)CC(=O)N1C 1925966724 JCYSUTFCVLJZTO-VIFPVBQESA-N 249.314 0.637 10 10 BCCE CC(=O)C(=O)[C@@](C)(O)C[C@H]1CCCO1 1929172803 QRIQWKNSKBIQBX-SCZZXKLOSA-N 200.234 0.465 10 10 BCCE O=C(NC[C@H](O)CF)c1ccc(O)c(O)c1 1937679680 CMTDCKDKELXZDD-SSDOTTSWSA-N 229.207 0.158 10 10 BCCE CCCN1C[C@H](N2CC(N=[N+]=[N-])C2)[C@H](O)C1 1939801654 HTCIVJTYJGKFFP-VHSXEESVSA-N 225.296 0.436 10 10 BCCE N[C@@H](c1cccc(Cl)c1O)[C@@H](O)C(=O)O 1952066734 VAEIYLFHFFKLGR-POYBYMJQSA-N 231.635 0.491 10 10 BCCE N[C@H](c1cccc(Cl)c1O)[C@H](O)C(=O)O 1952066735 VAEIYLFHFFKLGR-SVRRBLITSA-N 231.635 0.491 10 10 BCCE C[C@H](O)c1cnc(Sc2nnnn2C)s1 1958555242 KVECPBFHGPJIEV-BYPYZUCNSA-N 243.317 0.871 10 10 BCCE CN1CCc2cc([C@@H]3CNCCN3)ccc21 1977938937 MLWUBIWGHVNJQN-LBPRGKRZSA-N 217.316 0.913 10 10 BCCE COc1cccc(CN(O)CC(=O)O)c1O 1993350745 SBCYXVHTHJRLKZ-UHFFFAOYSA-N 227.216 0.677 10 10 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10 10 BCCE Nc1ccc(OCC(=O)NCc2cn[nH]c2)cc1 40335767 AOGHDUMMOKBLQK-UHFFFAOYSA-N 246.270 0.687 10 10 BCCE COc1cc(N)ccc1N1C(=O)COCC1=O 41071381 GEBLGOORAMWRHP-UHFFFAOYSA-N 236.227 0.167 10 10 BCCE CCOc1cccc([C@@H](N)CC(N)=O)c1O 44250409 JXGFRCBLCPWXNO-QMMMGPOBSA-N 224.260 0.666 10 10 BCCE CN[C@@H](C)[C@H]1NCCc2c(O)ccc(O)c21 75799185 AYOFXGWEBOUQPB-JVXZTZIISA-N 222.288 0.893 10 10 BCCE O[C@H]1CNC[C@H]1Sc1nccs1 82525298 CUZFZHROQXBMPE-NTSWFWBYSA-N 202.304 0.568 10 10 BCCE COCC[C@@](C)(NCCN=[N+]=[N-])C(=O)O 85223818 QMHRDLJRARRWCE-MRVPVSSYSA-N 216.241 0.766 10 10 BCCE COc1ccc(CNC[C@@](C)(O)CO)cc1C 90286984 YXBJKPOPETYSDV-CYBMUJFWSA-N 239.315 0.837 10 10 BCCE CN(C)/C=C1/C=C(/C=C\[N+](=O)[O-])OC1=O 100255193 JACHOBVZZPPGNK-CWWKMNTPSA-N 210.189 0.663 10 10 BCCE CC(=O)O[C@@H]1O[C@H](C)C(=O)C[C@H]1N=[N+]=[N-] 205766689 QUQRTDXWIJQVMN-DVZGVGDCSA-N 213.193 0.932 10 10 BCCE CC[C@@H]1C(=O)NCCN1c1ccc(OC)cc1N 213407701 YOWKSZVTJJHFHH-LLVKDONJSA-N 249.314 0.992 10 10 BCCE CC(C)[C@@H](CN=[N+]=[N-])NS(C)(=O)=O 238150131 XGOUNPUZGWAHRD-ZCFIWIBFSA-N 206.271 0.871 10 10 BCCE NC[C@@H](O)CNCc1ccc2c(c1)CCO2 258908013 ICFAELXLRRNRLY-LLVKDONJSA-N 222.288 0.031 10 10 BCCE CN(CC(N)=O)c1ccc2c(c1)CC(=O)N2 259166397 UDIUBQOMQSOXQN-UHFFFAOYSA-N 219.244 0.103 10 10 BCCE COC(=O)[C@H](CN)c1cc(O)c(O)c(F)c1 260048002 HYMSTARHPRNXRX-ZCFIWIBFSA-N 229.207 0.452 10 10 BCCE Cc1cccc(CN2CCOC[C@H](O)C2)c1O 294774518 KOLTYAHAZFJABP-GFCCVEGCSA-N 237.299 0.894 10 10 BCCE CCOC(=O)CN(C=O)c1ccc(N)cc1 309521569 YMVNFQZXLQLETR-UHFFFAOYSA-N 222.244 0.795 10 10 BCCE NC(=O)CNCc1c(O)ccc(Cl)c1F 380021765 WVKODNPGNWFDEI-UHFFFAOYSA-N 232.642 0.760 10 10 BCCE CC(=O)NCCCNCc1ccc(O)c(O)c1 394878814 YMTTXTGWRXGICZ-UHFFFAOYSA-N 238.287 0.714 10 10 BCCE CCc1cccc(CNC[C@](C)(O)CO)c1O 691508487 GIUYBMRILCTRSE-ZDUSSCGKSA-N 239.315 0.788 10 10 BCCE NC[C@H]1CC(C(=O)NCc2ccccc2O)=NO1 852883808 OFXUIHYXVJTENX-SECBINFHSA-N 249.270 0.112 10 10 BCCE Nc1ccc(CC(=O)N[C@@H]2[C@@H]3C[C@@H]2CN3)cc1 877070501 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221.304 0.823 10 10 BCCE CN(C(=O)C1=CC[C@H](N)C1)c1cccnn1 1991287783 XVODSGDAIPPCCD-VIFPVBQESA-N 218.260 0.487 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1CCN1CCNC1=O 2009444028 ANWIBZRHRQUSSD-SECBINFHSA-N 238.295 0.786 10 10 BCCE Cn1cc([C@@](C)(O)[C@H](N)c2ccccc2O)nn1 2031152881 GVXJRXKSNNMZPU-VXGBXAGGSA-N 248.286 0.428 10 10 BCCE CN(C)c1ccc([C@H](O)CN2CC[C@@H](N)C2)cc1 2050172227 BNTNIUYALSXCLA-TZMCWYRMSA-N 249.358 0.819 10 10 BCCE NCC1(NC(=O)COc2ccc(N)cc2)CCC1 2071723731 YGPMKMQIWWPLSC-UHFFFAOYSA-N 249.314 0.645 10 10 BCCE Cc1cccc(CNC(=O)c2c[nH][nH]c2=N)c1O 2084059607 WDXOJYKMTRPOHG-UHFFFAOYSA-N 246.270 0.766 10 10 BCCE N=c1nnc(OCc2cccs2)n[nH]1 2209559920 JKHGXYNERBODEV-UHFFFAOYSA-N 209.234 0.320 10 10 BCCE CN(C)c1ccc(OCC[C@@H](O)CO)cc1 2211925228 LCTAVYGHQQJQGP-LLVKDONJSA-N 225.288 0.875 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CC[C@@]2(O)C[C@H]2C1 2254027270 AJDJTUUYWUDLLX-TVQRCGJNSA-N 249.266 0.695 10 10 BCCE NCc1ccc(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1 2309626577 YIDYGQPQRGCEIN-VZZFWQQMSA-N 248.326 0.466 10 10 BCCE CCOc1ccccc1NC[C@H](O)CN 32012401 MBGNXOJTTREZQP-SECBINFHSA-N 210.277 0.817 10 10 BCCE CCNC(=O)[C@H](N)c1cc(C)ccc1O 83345422 CVNQNBBOVIUOGR-SNVBAGLBSA-N 208.261 0.837 10 10 BCCE CCNC(=O)[C@H](N)c1cc(F)ccc1O 83346889 NMPPAQYYMMBYIV-SECBINFHSA-N 212.224 0.667 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cccnc1 85224395 YBVXOILGEPHEMA-QMMMGPOBSA-N 220.236 0.508 10 10 BCCE CCOC(=O)[C@H](CN=[N+]=[N-])NCCOC 85622344 KLXVLBFRKZGVKF-ZETCQYMHSA-N 216.241 0.464 10 10 BCCE Nc1ccc(CCSC[C@H](O)CO)cc1 86659336 KOUMHYFRWARXKY-LLVKDONJSA-N 227.329 0.898 10 10 BCCE CCN[C@@H]1C(=O)Nc2cc(N(C)CCO)ccc21 103054173 HGXMEUXIOLFBHX-LBPRGKRZSA-N 249.314 0.718 10 10 BCCE [N-]=[N+]=CC(=O)c1ccc2[nH]c(=O)[nH]c2c1 106880191 OXRMTCRPUGJSPP-UHFFFAOYSA-N 202.173 0.340 10 10 BCCE N[C@@H](C(=O)O)c1c(O)ccc2c1COC2 108320295 KWAAKYAHPTXOCD-SECBINFHSA-N 209.201 0.507 10 10 BCCE CCn1c(Cc2ccc(N)cc2)n[nH]c1=O 168743089 HTJBZHNKSBZCCF-UHFFFAOYSA-N 218.260 0.764 10 10 BCCE Cc1cc(N)ccc1N1C(=O)[C@H]2CC[C@@H](O2)C1=O 222847987 KVENZPORESFABR-GHMZBOCLSA-N 246.266 0.998 10 10 BCCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1 234308626 ARXJHVYZOINUKD-VIFPVBQESA-N 236.271 0.532 10 10 BCCE O=C(Nc1nnns1)c1ccc(O)c(O)c1 236574550 BABBBXALPADZAV-UHFFFAOYSA-N 238.228 0.597 10 10 BCCE NCCN1N=C(c2ccccc2O)CC1=O 250202172 RIHAUHDHSRGCDI-UHFFFAOYSA-N 219.244 0.287 10 10 BCCE COc1ccc2c(c1)C[C@@H](CON)N2C 258198139 ULJQCEZEVGBPQT-VIFPVBQESA-N 208.261 0.946 10 10 BCCE COC(=O)[C@H](N)c1c(O)cc(F)cc1OC 260326229 YPSFCZIGAZLLDJ-SECBINFHSA-N 229.207 0.713 10 10 BCCE C[C@H]1CN(Cc2ccc(N)cc2)CC(=O)N1 387357204 VZHPHKYHVKYLJI-VIFPVBQESA-N 219.288 0.589 10 10 BCCE Cn1nnc(CNC(=O)Nc2ccc(N)cc2)n1 398104695 VFYZISLSVWMQTH-UHFFFAOYSA-N 247.262 0.114 10 10 BCCE COc1ccc(O)c(CN[C@@H]2CCNC2=O)c1 693891178 HSIYRAILZQIRQR-SNVBAGLBSA-N 236.271 0.379 10 10 BCCE [N-]=[N+]=NCCNS(=O)(=O)CC(F)F 695086312 IRFSTMRBENTPNE-UHFFFAOYSA-N 214.197 0.481 10 10 BCCE C[C@@H](Sc1nccs1)[C@@H](N)C(N)=O 698630371 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200.234 0.465 10 10 BCCE N[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 1938295588 XXPGRAREOKWRQJ-KNVOCYPGSA-N 222.244 0.317 10 10 BCCE CO[C@H]1CN(C)C[C@@H]1NCc1ccccc1O 1946442319 LBMIXJSQYOEKHJ-AAEUAGOBSA-N 236.315 0.811 10 10 BCCE NC[C@H](CCC(=O)O)c1ccc(O)c(O)c1O 1951600107 HSFZLZFHNUGICA-LURJTMIESA-N 241.243 0.711 10 10 BCCE COC(=O)[C@@](C)(N)CCc1ccc(O)c(O)c1 1951727218 VXWGFEOKVVZGCQ-LBPRGKRZSA-N 239.271 0.921 10 10 BCCE CN1C[C@H](c2ccc(O)cc2O)NCC1=O 1951853969 HPAHRPPKKLLXOB-SECBINFHSA-N 222.244 0.201 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CC(=O)NC1=O 1984489320 HOYIOSOEAZRYKM-RNFRBKRXSA-N 223.236 0.176 10 10 BCCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CC[C@H]2C[C@@H]1C2 1988449616 MUIZTQDHAAGVEW-XKSSXDPKSA-N 223.280 0.930 10 10 BCCE Nc1ccc(O)c(CN2CCOCCO2)c1 1992355388 JZVWLIABQPUMOK-UHFFFAOYSA-N 224.260 0.738 10 10 BCCE Cc1ccc(CN2CCNNCC2)c(O)c1 1994456880 RUSOJYWXDGXDAN-UHFFFAOYSA-N 221.304 0.610 10 10 BCCE COc1cccc(O)c1CN1C[C@@H]2C[C@@]2(N)C1 1997941264 OVSBCNGETOVJKP-TVQRCGJNSA-N 234.299 0.934 10 10 BCCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1 1998335509 MHDUGZALXMTWLW-BETUJISGSA-N 236.315 0.338 10 10 BCCE CN(CC(N)=O)c1ccc(CO)c([N+](=O)[O-])c1 2014912816 SPIOURACISRRBE-UHFFFAOYSA-N 239.231 0.009 10 10 BCCE Cc1cccc(N)c1N[C@H]1CNCC[C@H]1CO 2016928272 YPASKRNDWLNNOP-JQWIXIFHSA-N 235.331 0.960 10 10 BCCE O=C(O)[C@H]1[C@H]2CN(Cc3ccc(O)cc3O)C[C@H]21 2027569509 ZEZRQUGZJJVMQW-PEGIJTEDSA-N 249.266 0.860 10 10 BCCE CNCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)cc1 2033615598 HBLNYKGDSPIKQV-ZIAGYGMSSA-N 248.326 0.746 10 10 BCCE NCc1ccc(N2C[C@@H](CO)OCC23CC3)cc1 2064043085 RKOWTMQCRUOOPR-ZDUSSCGKSA-N 248.326 0.875 10 10 BCCE N[C@H]1CC(C(=O)NCc2ccccc2O)=C[C@H]1O 2067759743 ZKYUHQXLQAHWEJ-CMPLNLGQSA-N 248.282 0.027 10 10 BCCE Nc1cc2c(cc1N1C[C@H]3[C@@H](N)[C@H]3C1)OCCO2 2071608455 UGFXGVQWVJHWMU-NVLNSXGDSA-N 247.298 0.433 10 10 BCCE O=C(NC[C@@H]1NC[C@@H]2C[C@H]21)c1cccc(O)c1O 2078315665 JCLKLSZCPJFJSM-SFGNSQDASA-N 248.282 0.436 10 10 BCCE CN(C)c1ccc(OC[C@](C)(N)C(=O)O)cc1 2215965960 FSVMOBGQXXCVMG-LBPRGKRZSA-N 238.287 0.933 10 10 BCCE CC(CO)(CO)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2246464178 ZRXSZHKTLDOLJE-JGVFFNPUSA-N 242.279 0.325 10 10 BCCE Cn1c(O)c(F)c(=O)n(CCCN=[N+]=[N-])c1=O 2247185539 JRWXMJSJRQCYTD-UHFFFAOYSA-N 243.198 0.092 10 10 BCCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2258322418 WHDDITIIAATJLI-VROVMSAKSA-N 249.266 0.551 10 10 BCCE Nc1ccc(CCN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2308772547 CVYWMHXHQQRAID-DOERSZECSA-N 248.326 0.237 10 10 BCCE CCOC(=O)[C@H](O)Cc1ccc(O)c(O)c1 13341256 PFNTZFUZCHVMEE-SNVBAGLBSA-N 226.228 0.564 10 10 BCCE NCCCNCc1ccc(N2CCOCC2)cc1 37713461 XAEVUBAFCGRLDP-UHFFFAOYSA-N 249.358 0.962 10 10 BCCE Nc1ccc(CCN2C(=O)COCC2=O)cc1 41071398 XKLSNUXYAMQHMZ-UHFFFAOYSA-N 234.255 0.197 10 10 BCCE NC[C@@H](N)c1cc(Cl)cc(CO)c1O 72200927 HEGRCTYKFVCGBQ-MRVPVSSYSA-N 216.668 0.496 10 10 BCCE Nc1ccc(N[C@@H]2CCC(=O)NC2=O)cc1 84404075 OLKPBBFWKKDULV-SECBINFHSA-N 219.244 0.486 10 10 BCCE COC[C@H](N)[C@@H](N)c1c(O)cccc1OC 95844167 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222.288 0.787 10 10 BCCE CC(=O)C(=[N+]=N)C(=O)N(C(C)C)C(C)C 585663445 ODXCECKUGFDTCU-UHFFFAOYSA-N 212.273 0.901 10 10 BCCE NC(=O)N[C@H]1CCN(c2ccc(N)cc2)C1 690716648 RIJMDLHEPMQWLR-VIFPVBQESA-N 220.276 0.516 10 10 BCCE Cn1nc(O)n(CCc2ccc(N)cc2)c1=O 700392947 IOIQVPGOEHXYIN-UHFFFAOYSA-N 234.259 0.112 10 10 BCCE CC(=O)NCCC(=O)NCc1ccccc1O 701150821 JTQDRUPICPOYSH-UHFFFAOYSA-N 236.271 0.535 10 10 BCCE Cc1nc(C(=O)NCCCN=[N+]=[N-])n[nH]1 701318385 GBLRQOJYFZRZFM-UHFFFAOYSA-N 209.213 0.543 10 10 BCCE Cc1cc(N(C)[C@@H]2COC[C@@H]2O)ccc1CO 708697449 GIEKOHJBHSRTNA-OLZOCXBDSA-N 237.299 0.683 10 10 BCCE C[C@]1(C(=O)O)C[C@@H]1C(=O)NCc1ccc(N)cc1 713619507 WKWDIKHPDXWWHS-MFKMUULPSA-N 248.282 0.996 10 10 BCCE COC[C@@H](N)[C@H](N)c1ccc(OC)cc1O 713768075 NHFJGVYSYLCPNH-MWLCHTKSSA-N 226.276 0.374 10 10 BCCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1C(C)C 808538417 QWSKQKKFWXJTBI-RKDXNWHRSA-N 212.245 0.980 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2cncnc2)C1 1912169671 NLDLGUMYDDZLDG-UHFFFAOYSA-N 204.193 0.611 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)c2cccc(O)n2)C1 1912179117 RPJCZHBPYLGEPL-UHFFFAOYSA-N 219.204 0.922 10 10 BCCE CCOCCn1ccc2c(c1=O)CNCC2 1937993189 GDOZDRIXTCXMFM-UHFFFAOYSA-N 222.288 0.531 10 10 BCCE Nc1ccc(CNCCN2CCCC2=O)cc1 1944063254 QOEALONPLGSIOZ-UHFFFAOYSA-N 233.315 0.981 10 10 BCCE N[C@@H](CC(=O)O)c1c(O)cccc1[N+](=O)[O-] 1951948997 SHWDAHILPIZJDR-YFKPBYRVSA-N 226.188 0.775 10 10 BCCE C[C@@H](N)[C@H](O)Cc1ccc(O)c(CN(C)C)c1 1952579108 XMXXLTHDYJEYMN-NOZJJQNGSA-N 238.331 0.704 10 10 BCCE Oc1ccc(O)c([C@@H]2NCCC[C@H]2O)c1 1952588763 CLEVFCGXTYEXQN-MNOVXSKESA-N 209.245 0.883 10 10 BCCE C[S@@](=O)(=NCCN=[N+]=[N-])C1CNC1 1954209113 ZBMBBTAGSPZGNO-ZDUSSCGKSA-N 203.271 0.366 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@@H](O)C[C@@H](O)C1 1958962914 HMLZTHWVWPLZFR-DTORHVGOSA-N 214.269 0.504 10 10 BCCE C[C@@H](O)[C@@H](CO)NCc1cccc(F)c1O 1964020089 JOOXZNNFXHFTAL-GMSGAONNSA-N 229.251 0.363 10 10 BCCE N=c1nc(Oc2ccc(N)cc2)cc(N)[nH]1 1986745725 XUXHLFLPHRWTLI-UHFFFAOYSA-N 217.232 0.846 10 10 BCCE CC1(C)C[C@H](O)[C@H](O)CN1CCCN=[N+]=[N-] 1988019041 FBCNFIGZRMBUED-DTWKUNHWSA-N 228.296 0.893 10 10 BCCE NCC1(NCc2cc(O)c(O)c(O)c2)CC1 1988125805 JEWDXYOCMVBMKE-UHFFFAOYSA-N 224.260 0.384 10 10 BCCE C[C@@]1(N)CCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003166702 IRJIFGHAMREXMJ-AVWBDOJWSA-N 238.331 0.770 10 10 BCCE C[C@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2015074464 HCKZTLOYADQGNW-LURJTMIESA-N 241.243 0.304 10 10 BCCE OCc1ccc(N2CCO[C@@H]3COC[C@H]32)cc1 2017535259 DPOLXZKIFQYYIR-CHWSQXEVSA-N 235.283 0.783 10 10 BCCE Nc1ccc(CCN2C[C@H](O)[C@@H]3COC[C@H]32)cc1 2040599519 KBCGJCRZNQPJQV-MCIONIFRSA-N 248.326 0.503 10 10 BCCE Nc1ccc(OCCN2C[C@@H]3C[C@@H]3[C@H]2CO)cc1 2078271543 BPMUCILKWPHQFK-LEWSCRJBSA-N 248.326 0.960 10 10 BCCE Cc1ccc(CN[C@H]2CCC(=O)NC2=O)c(O)c1 2084066670 STDHVHPQEFPZPX-JTQLQIEISA-N 248.282 0.595 10 10 BCCE Cc1nonc1Cn1ccc2c(c1=O)CNCC2 2221226026 LMZMCYCDNYQWGP-UHFFFAOYSA-N 246.270 0.234 10 10 BCCE NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 2248259402 FDCBGJFTZLZYQO-NXEZZACHSA-N 233.271 0.006 10 10 BCCE CO[C@H]1[C@@H](NCc2c(O)cccc2F)C[C@H]1O 2249814475 SRSSAAFOGYEAJN-WCQGTBRESA-N 241.262 0.769 10 10 BCCE Oc1ccc([C@@H](O)C2=NCCN2)cc1O 6092141 QXTDBFMUJTXKNQ-SECBINFHSA-N 208.217 0.133 10 10 BCCE CC(C)(CO)NCc1ccc(O)cc1O 20196332 STVOPIFAQKFKJJ-UHFFFAOYSA-N 211.261 0.958 10 10 BCCE [N-]=[N+]=NCCNC(=O)c1cc(O)nc(O)c1 42012390 ADDLJARDHUNMDA-UHFFFAOYSA-N 223.192 0.533 10 10 BCCE N[C@@H](CO)c1ccc(F)c([N+](=O)[O-])c1O 72191382 TXXSYESMVMOHDP-LURJTMIESA-N 216.168 0.432 10 10 BCCE CCCNC(=O)CN1C(=O)CSC1=S 82298573 FCGQZELBIFLELE-UHFFFAOYSA-N 232.330 0.373 10 10 BCCE Nc1ccc(OCc2nccc(=O)[nH]2)cc1 82535900 YCQIQLFNSFVTSE-UHFFFAOYSA-N 217.228 0.931 10 10 BCCE COc1ccc(N(C)C[C@](C)(O)CN)cc1 82915074 VBZPTCPBMJINET-GFCCVEGCSA-N 224.304 0.841 10 10 BCCE Nc1ccc(N2C(=O)N[C@H]3COC[C@@H]3C2=O)cc1 90366069 NRIGZWQQDHMJCL-UWVGGRQHSA-N 247.254 0.340 10 10 BCCE NCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)cc1 91751378 XSRXLHLSNMWKKH-GFCCVEGCSA-N 246.314 0.359 10 10 BCCE COc1cccc([C@@H]2CNCCN2)c1O 95690956 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ABPBBGPNKDYKBL-LLVKDONJSA-N 218.260 0.976 10 10 BCCE CCOC(=O)[C@@](C)(N)c1ccc(O)c(O)c1O 1951865884 CAEYSHRWRIUNIF-NSHDSACASA-N 241.243 0.540 10 10 BCCE O=C1C[C@H](c2cccc(O)c2O)[C@H](C(=O)O)N1 1951865933 CTAWBEVWMKYHGC-HZGVNTEJSA-N 237.211 0.155 10 10 BCCE COc1ccc([C@@H]2CN(C)C(=O)CN2)c(O)c1 1951868270 MSJYHKDQMSASJU-JTQLQIEISA-N 236.271 0.504 10 10 BCCE Oc1ccc([C@H]2NCCC[C@@H]2O)cc1O 1952605126 QDBZUWCYVOVFSU-GXSJLCMTSA-N 209.245 0.883 10 10 BCCE NC(=O)C1(NCc2ccc(N)cc2)CC1 1958544168 CUXOQZRIFAXIGD-UHFFFAOYSA-N 205.261 0.376 10 10 BCCE Cc1nnc(O)n(CCCN=[N+]=[N-])c1=O 1962478127 IRDGLVXHWRXJEZ-UHFFFAOYSA-N 210.197 0.353 10 10 BCCE COCCN1CC[C@@H](N(C)CCN=[N+]=[N-])C1 1976576051 MOPDXRKIJDROHW-SNVBAGLBSA-N 227.312 0.949 10 10 BCCE COCCN(CCN=[N+]=[N-])C[C@@H]1CCCN1 1982248873 ZGWKYYAAJDULPU-JTQLQIEISA-N 227.312 0.997 10 10 BCCE COc1ccc(N2C[C@@H]3C[C@@]3(N)C2)c(N)c1 1989328365 WEXHQSRZQOLMNE-QPUJVOFHSA-N 219.288 0.815 10 10 BCCE CN(Cc1ccccc1O)[C@@H]1CNC[C@@H]1O 1989684751 OXKVPEFQONSASL-PWSUYJOCSA-N 222.288 0.157 10 10 BCCE COC[C@@H](CN)N(C)Cc1ccccc1O 1989685783 VBIYGRKFSSQNIN-LLVKDONJSA-N 224.304 0.798 10 10 BCCE C[C@H](NC(=O)N1CC(N=[N+]=[N-])C1)S(C)(=O)=O 1994015165 PRJIZANRJLNHIM-RXMQYKEDSA-N 247.280 0.081 10 10 BCCE Cc1cccc(O)c1CN[C@H]1CCOC[C@H]1O 1997966911 FEWIBMIOVQBWGD-WCQYABFASA-N 237.299 0.940 10 10 BCCE CNCc1ccc(N2CC(O)(CO)C2)c(C)c1 2004520220 BNUISJCDLUNMQE-UHFFFAOYSA-N 236.315 0.258 10 10 BCCE C[C@@H](NCC[C@@H](O)CO)c1cc(O)ccc1O 2011174147 IXWGBDLBUVSIFK-PSASIEDQSA-N 241.287 0.492 10 10 BCCE Nc1ccc(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1 2011396468 JOWNJXOKFUPVAE-JDNZLRHBSA-N 234.299 0.447 10 10 BCCE CC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2015074585 ILAAVGMDGYLBJL-ZETCQYMHSA-N 241.243 0.304 10 10 BCCE COc1ccc(N2C[C@@H](O)C[C@@H](N)C2)cc1C 2025877714 OAYWVQMRLHKBFK-PWSUYJOCSA-N 236.315 0.902 10 10 BCCE Nc1ccc(CN[C@H]2CCc3nncn3C2)cc1 2041932089 ZEOLRUBNJPIDEC-LBPRGKRZSA-N 243.314 0.965 10 10 BCCE NC(=O)c1cccc(N)c1N[C@@H]1CCC[C@@H]1CO 2046433017 LUZINJMAWKWBLF-LDYMZIIASA-N 249.314 0.941 10 10 BCCE O[C@H]1CN(c2ccc3c(c2)CCC[C@H]3O)C[C@H]1O 2065023125 XNLGRZZRSZOAEC-MCIONIFRSA-N 249.310 0.598 10 10 BCCE O=C(c1cccc(O)c1O)N1CC[C@H]2CNC[C@@H]21 2068555236 IQGSVWIULMSFDH-WPRPVWTQSA-N 248.282 0.532 10 10 BCCE COc1ccc(N2C[C@H](O)[C@H](O)C2)cc1F 2210892342 SSFLVLDBNJVJEQ-AOOOYVTPSA-N 227.235 0.376 10 10 BCCE Cc1cc([C@H](C)O)ccc1N(C)CC(N)=O 2212703424 JFIZRVCGKUBNMQ-VIFPVBQESA-N 222.288 0.970 10 10 BCCE CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213583537 TTZZLIUFYAOWRG-NBEYISGCSA-N 239.279 0.859 10 10 BCCE CS(=O)(=O)[C@H]1C[C@H](CN2CC(N=[N+]=[N-])C2)C1 2244019484 VZFGUCRCCSVLTJ-XWEPSHTISA-N 244.320 0.804 10 10 BCCE Cc1cc(N2C[C@H](O)[C@@H](O)C2)ccc1[C@@H](C)N 2248954773 LPDPNUZNEVAORU-ICCXJUOJSA-N 236.315 0.557 10 10 BCCE Nc1ccc(O)c(CN2CC3(COC(=O)N3)C2)c1 2326872807 WMUFIIULEAZZBZ-UHFFFAOYSA-N 249.270 0.269 10 10 BCCE C[C@@H](O)CN1CCN(c2ccc(N)cc2)CC1 19862305 UEUPJFNEQOLWGB-LLVKDONJSA-N 235.331 0.772 10 10 BCCE CC(=O)NCCNCc1cc(C)ccc1O 70955037 VBGQATRFNUZDBR-UHFFFAOYSA-N 222.288 0.926 10 10 BCCE N[C@@H](CCC(=O)O)c1ccc(O)c(O)c1 82952894 KOCWMEANDBKDEO-ZETCQYMHSA-N 211.217 0.962 10 10 BCCE COc1cc(CN)ccc1N1CCOCC1 83038637 SDVTYJJLUZNBLY-UHFFFAOYSA-N 222.288 0.991 10 10 BCCE COC(=O)[C@H](N)c1ccc(OC)cc1O 95639640 QAEAMGZHIOXAGQ-SECBINFHSA-N 211.217 0.574 10 10 BCCE O=[N+]([O-])c1ccc(O)c([C@H]2CNCCN2)c1 95691604 GANBOPHFIPXTOU-SECBINFHSA-N 223.232 0.534 10 10 BCCE COc1cc(F)cc([C@H](N)CCO)c1O 95718394 WUMOAWMNEQTCII-MRVPVSSYSA-N 215.224 0.922 10 10 BCCE Nc1c(F)ccc([C@@H]2COCCN2)c1O 95719084 XCAFPOVHRZSFBO-QMMMGPOBSA-N 212.224 0.774 10 10 BCCE CN1CCN(c2ccc(N)cc2)[C@@H](CO)C1 113278663 XRKLKRCRKKGHRN-GFCCVEGCSA-N 221.304 0.382 10 10 BCCE COc1cc(OC)c(O)c([C@@H](N)C(=O)O)c1 220858954 FUGRRWHCZPMTOW-MRVPVSSYSA-N 227.216 0.494 10 10 BCCE Cc1cc([C@H](CN)C(=O)O)cc(O)c1O 258038187 KYPSAZWCHYEFDY-ZETCQYMHSA-N 211.217 0.533 10 10 BCCE Nc1c(C(=O)O)cnn1Cc1ccccc1O 258093881 USHICLCIOYPQHS-UHFFFAOYSA-N 233.227 0.917 10 10 BCCE COc1ccc(N(C)C[C@H](N)CO)cc1F 259235796 YBYPKLVNRDOEML-QMMMGPOBSA-N 228.267 0.590 10 10 BCCE CC(=O)C(=O)CSc1nnc(N)n1C(C)C 309244954 BWXCWFRJYZKKRI-UHFFFAOYSA-N 242.304 0.691 10 10 BCCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CC[C@H]1CN2 320194023 DBGIGKGOTWJUJQ-BDAKNGLRSA-N 249.270 0.069 10 10 BCCE CCCN1CC[C@@](NCCN=[N+]=[N-])(C(=O)O)C1 328521063 RPDKFPOBXBKEMM-JTQLQIEISA-N 241.295 0.825 10 10 BCCE O=C(NCc1ccccc1O)[C@H]1[C@H]2CN[C@H]1C2 400698131 JPKGXDSBCUIQRB-SCVCMEIPSA-N 232.283 0.616 10 10 BCCE CN(C)c1ccc([C@](C)(N)CC(N)=O)cc1 686851286 ICJNWCBSWQAIEG-GFCCVEGCSA-N 221.304 0.802 10 10 BCCE O=C(NC[C@@]12COC[C@@H]1C2)c1ccc(O)c(O)c1 689349633 IAHPRRLAMDJBLN-ZANVPECISA-N 249.266 0.864 10 10 BCCE O=C1NCC[C@@H]1NCc1cccc(F)c1O 693870400 ULSOGOWWUCXCJL-VIFPVBQESA-N 224.235 0.509 10 10 BCCE CN(C)c1ccc(CNC(CN)CN)cc1 710061599 LYBSSNNQYBCMBX-UHFFFAOYSA-N 222.336 0.128 10 10 BCCE CCC[C@H](N)CNC(=O)c1cc(O)nc(O)c1 721633819 PWDGGTSSNDSBMV-QMMMGPOBSA-N 239.275 0.350 10 10 BCCE CN1CN(C(=O)c2cc(O)cs2)CC1=O 758504194 PVUVIVCGSKYSRV-UHFFFAOYSA-N 226.257 0.325 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN(S(N)(=O)=O)C1 886044345 UQWKZHHDZOTQKU-LURJTMIESA-N 219.270 0.212 10 10 BCCE c1cc2c(cc1N1CCOCC13CNC3)CCO2 1145211871 OQLOHAAALNNDAH-UHFFFAOYSA-N 246.310 0.800 10 10 BCCE Oc1ccc(C[C@@H]2CCNC2)c(O)c1O 1535835033 GROJSLCETFZXGS-ZETCQYMHSA-N 209.245 0.955 10 10 BCCE C[C@@H]1NCC[C@H]1Nc1c(N)cccc1C(N)=O 1909616176 UZYUKKXPEBKVNH-OIBJUYFYSA-N 234.303 0.530 10 10 BCCE [N-]=[N+]=NCCCCN1C[C@]2(CO)C[C@@]2(CO)C1 1912187354 JKPCXHQYBAILQR-QWRGUYRKSA-N 240.307 0.754 10 10 BCCE [N-]=[N+]=NCCNS(=O)(=O)c1cncs1 1912205510 GDYBARFRWQMKPK-UHFFFAOYSA-N 233.278 0.732 10 10 BCCE CN(C)[C@@H]1COC[C@H]1CNCc1ccc(N)cc1 1924661700 XKCWAWUVQLFQFC-TZMCWYRMSA-N 249.358 0.935 10 10 BCCE CC(=O)C(=O)[C@H](O)[C@]1(C)CCCCO1 1929244381 SBQRGFZVUCXHGY-UWVGGRQHSA-N 200.234 0.465 10 10 BCCE NC(=O)[C@H]1CCCN[C@H]1c1ccccc1O 1936975757 OMMMPXNFXCSTQZ-ONGXEEELSA-N 220.272 0.918 10 10 BCCE CN1C[C@H](O)[C@@H](N2CC[C@H](CN=[N+]=[N-])C2)C1 1939816811 OPYWEGISXNSGIU-UTLUCORTSA-N 225.296 0.294 10 10 BCCE [N-]=[N+]=NCCCN1C[C@H](O)[C@H]2COC[C@@H]21 1958102683 MEXSAUIFFXJMJJ-CIUDSAMLSA-N 212.253 0.378 10 10 BCCE [N-]=[N+]=NCCCN1CCO[C@H]2CNC[C@@H]21 1962304497 NLDHYKVMXZLJTL-IUCAKERBSA-N 211.269 0.359 10 10 BCCE CN(C)c1ccc(C2(N)CS(=O)(=O)C2)cc1 1977961623 ZKLHPCBLJLUPND-UHFFFAOYSA-N 240.328 0.335 10 10 BCCE CN(C(=O)C1=CC[C@H](N)C1)c1ccncn1 1981541933 TWFPRSDVIPZGEW-VIFPVBQESA-N 218.260 0.487 10 10 BCCE CN(CC[C@H](N)C(=O)O)Cc1ccccc1O 2017502002 HWFPDHFIJHXQAK-JTQLQIEISA-N 238.287 0.626 10 10 BCCE CN(C)C[C@@H]1CN(c2ccc(CN)cc2)CCO1 2050922791 HGXUJULGPNGRIS-CQSZACIVSA-N 249.358 0.912 10 10 BCCE CN(c1ccc2c(c1)CC[C@@H]2N)[C@@H]1CCNC1=O 2065082906 HBNAUEDNORTTFQ-QWHCGFSZSA-N 245.326 0.957 10 10 BCCE NCc1cnn(Cc2cc(F)ccc2O)c1N 2070352957 OICIZWJMINABGZ-UHFFFAOYSA-N 236.250 0.817 10 10 BCCE CN1CC[C@H](OCC(=O)Nc2ccc(N)cc2)C1 2077336011 BBEJSTJXCYPLES-LBPRGKRZSA-N 249.314 0.928 10 10 BCCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1 2249562428 FDEZYWPBDWUNGH-BIMULSAOSA-N 237.299 0.672 10 10 BCCE Nc1ccc(NCC(F)(F)C2(O)CNC2)cc1 2250799261 KQMGVLKMCVWHLS-UHFFFAOYSA-N 243.257 0.650 10 10 BCCE OC[C@H](O)C1CN(c2ccc3c(c2)CCO3)C1 2300039824 VJYIDIRHENVCLS-LBPRGKRZSA-N 235.283 0.411 10 10 BCCE COc1cccc(O)c1[C@H](N)CC(=O)O 2586165 IOFFQDYZJBLWDH-ZCFIWIBFSA-N 211.217 0.875 10 10 BCCE CN(C(=O)Cn1cncn1)c1ccc(N)cc1 37273740 YIEPUFLMHWOVDL-UHFFFAOYSA-N 231.259 0.523 10 10 BCCE CCNC(=O)CN(C)c1ccc(CNC)cc1 49727804 RRDMNXJAPGWKBG-UHFFFAOYSA-N 235.331 0.978 10 10 BCCE Nc1ccc(CNC(=O)c2cn[nH]c2)cc1 62775343 BVXZGZCIKCTNOP-UHFFFAOYSA-N 216.244 0.922 10 10 BCCE Nc1ccc(Cc2nccc(=O)[nH]2)cc1 82531443 XUUFLIGKNICFKD-UHFFFAOYSA-N 201.229 0.943 10 10 BCCE COC(=O)C[C@H](N)c1ccc(O)cc1O 95638292 BIMOXRPGLIESFV-QMMMGPOBSA-N 211.217 0.661 10 10 BCCE CCC[C@H](O)[C@H](N)c1c(O)cc(O)cc1O 95814942 CDLKQYBJYCTKPD-CPCISQLKSA-N 227.260 0.964 10 10 BCCE NC(=O)[C@H](NC1CC1)c1ccccc1O 130274502 HZRNHNOXGVLXKP-SNVBAGLBSA-N 206.245 0.671 10 10 BCCE C[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 147461311 LDALKGSQOBRAOA-SSDOTTSWSA-N 224.260 0.104 10 10 BCCE CNC(=O)[C@H](C)NCc1cccc(F)c1O 165156914 CAERJXPDYSTLAZ-ZETCQYMHSA-N 226.251 0.755 10 10 BCCE CC1(C)O[C@@H]2[C@H](O)O[C@H](CN=[N+]=[N-])[C@H]2O1 201184340 XTPVNCKERFHICU-MVIOUDGNSA-N 215.209 0.534 10 10 BCCE O=C(NCc1cc[nH]n1)c1ccc(O)c(O)c1 227018780 QLDMUKLUXDJZFN-UHFFFAOYSA-N 233.227 0.751 10 10 BCCE Nc1ccc(OCCn2cc[nH]c2=O)cc1 231931275 FADWSYVLWMIEDZ-UHFFFAOYSA-N 219.244 0.838 10 10 BCCE COc1cc(N2C(=O)CNC2=O)ccc1N 234942824 FNGLDQRNNLNHRS-UHFFFAOYSA-N 221.216 0.334 10 10 BCCE CN1CCOc2c1ccc1c2OC[C@@H]1N 238320634 PALQTLDNOXAQHE-QMMMGPOBSA-N 206.245 0.907 10 10 BCCE CO[C@@H]1CC[C@@H](OC)[C@@H](N=[N+]=[N-])[C@@H]1N 238327790 OICPJXQMYWSZTN-WCTZXXKLSA-N 200.242 0.816 10 10 BCCE O=C1CC(=O)N(c2ccc(F)c(F)c2)N1 238575393 FDCPCQWCBISKRU-UHFFFAOYSA-N 212.155 0.733 10 10 BCCE COC(=O)C(=O)N1C(=O)CCc2cc(N)ccc21 258774897 KGNHFVKXFYURPS-UHFFFAOYSA-N 248.238 0.248 10 10 BCCE COC(=O)[C@@H]1CNCc2c(O)cccc21 259296400 IINGQHZDIZBXID-SECBINFHSA-N 207.229 0.752 10 10 BCCE O=C1COC[C@@H](c2ccc(F)c(F)c2O)N1 309364175 ZVNXWVHYCXMKEA-ZETCQYMHSA-N 229.182 0.858 10 10 BCCE CCC[C@@H](O)[C@H](N)c1ccc(O)c(O)c1O 396466468 TWHUOASNVQPCTG-VXNVDRBHSA-N 227.260 0.964 10 10 BCCE CNC(=O)CC[S@](=O)CCN=[N+]=[N-] 399178386 RDMYCSAVJDKBDC-ZDUSSCGKSA-N 204.255 0.182 10 10 BCCE COC[C@H](N)Cc1cn(-c2ccc(N)cc2)nn1 864619612 GTICHBUJDHSHCD-SNVBAGLBSA-N 247.302 0.366 10 10 BCCE COC(=O)[C@@H](N)C(F)(F)c1ccc(O)c(O)c1 888087656 VMRNGGSZKMOHSM-MRVPVSSYSA-N 247.197 0.690 10 10 BCCE C[C@@H](NCc1ccc2c(c1)CCCO2)C(N)=O 894065711 GQWRSARLIFFHBD-SECBINFHSA-N 234.299 0.975 10 10 BCCE Nc1ccnn1CC(=O)NCc1ccccc1O 1566373876 KAZVADYNBYZOQY-UHFFFAOYSA-N 246.270 0.487 10 10 BCCE CCCNC(=O)CCN1C(=O)CSC1=S 1865765262 YHYYQWFRFBHYPT-UHFFFAOYSA-N 246.357 0.763 10 10 BCCE [N-]=[N+]=NCCN1C(=O)C(=O)N[C@H]2CCC[C@@H]21 1902675596 SWDUAEMSAYWFKE-BQBZGAKWSA-N 223.236 0.176 10 10 BCCE Cc1ncc([C@H](NCCN=[N+]=[N-])C(=O)O)cn1 1912193007 BFOSUNCONREDCL-QMMMGPOBSA-N 236.235 0.811 10 10 BCCE CC(=O)C(=O)[C@H](O)[C@@]1(C)CCCS1 1929241913 FXLHSYFIRMSNHB-DTWKUNHWSA-N 202.275 0.791 10 10 BCCE COc1ccc(O)c(CN(C)OCC(=O)O)c1 1942143502 FOSOLCUHYILEDI-UHFFFAOYSA-N 241.243 0.849 10 10 BCCE Cn1cncc1[C@@H](O)[C@H](N)c1ccccc1O 1943689409 FWNAINIDRVLHJP-VXGBXAGGSA-N 233.271 0.859 10 10 BCCE CC(C)(C(=O)O)[C@@H](N)c1c(O)cc(O)cc1O 1951864524 WWCFPBRHDDKYIC-VIFPVBQESA-N 241.243 0.914 10 10 BCCE COc1cc([C@@H]2NCCC2=O)cc(O)c1O 1952152908 QJDYJKBLXDAGGV-JTQLQIEISA-N 223.228 0.710 10 10 BCCE Oc1ccc([C@H]2CNCCOC2)cc1O 1952524042 MUIGCEKONXHYPP-VIFPVBQESA-N 209.245 0.801 10 10 BCCE CN(C)c1ccc(CN2CCOC[C@H](N)C2)cc1 1967985751 HTHFFGUYHHITHQ-CYBMUJFWSA-N 249.358 0.912 10 10 BCCE NC(=O)[C@@H]1OCC[C@H]1Nc1ccccc1N 1982020947 MCBMWKLCZJEVTL-NXEZZACHSA-N 221.260 0.324 10 10 BCCE CO[C@H]1CNC[C@H]1Nc1c(N)cccc1F 1989371190 KPFQEYUTFIPGHD-ZJUUUORDSA-N 225.267 0.807 10 10 BCCE CN(CCCN=[N+]=[N-])C(=O)NCS(C)(=O)=O 1994014503 DGDWRCRVUSDXCM-UHFFFAOYSA-N 249.296 0.330 10 10 BCCE Cc1ccc(CN[C@H]2COC[C@@H]2O)c(O)c1 1994458856 ZWLCQGOZGWHYQQ-JQWIXIFHSA-N 223.272 0.550 10 10 BCCE Cc1cccc(O)c1CN[C@H]1COCC[C@H]1O 1997968917 UJNJDROGHAVUNW-WCQYABFASA-N 237.299 0.940 10 10 BCCE COC(=O)[C@@H](CN)N(C)Cc1ccc(N)cc1 1999256097 MESSPDKLWNBAIT-LLVKDONJSA-N 237.303 0.201 10 10 BCCE Cc1ccc(O)c(CN[C@@H]2C[C@@H](O)C[C@H]2O)c1 2000835480 BQCZYSSWJGPNCU-NQBHXWOUSA-N 237.299 0.674 10 10 BCCE [N-]=[N+]=NCCN[C@H](C(N)=O)[C@@H]1C[C@H]2CC[C@H]1O2 2002740041 NMDLSTSAFBKAPK-BGZDPUMWSA-N 239.279 0.308 10 10 BCCE CO[C@H](C)CNC(=O)c1cc(O)c(O)c(O)c1 2015075094 NTWCLZRRHYEHSO-ZCFIWIBFSA-N 241.243 0.568 10 10 BCCE O=C(N[C@@H]1C[C@H]2COC[C@H]21)c1cccc(O)c1O 2027340032 CSNAHNPTRSDODT-FXBDTBDDSA-N 249.266 0.863 10 10 BCCE Oc1ccc([C@@H]2NC[C@H](O)c3nc[nH]c32)cc1O 2028277507 NTZYZFBCHZLOSK-UWVGGRQHSA-N 247.254 0.547 10 10 BCCE CN(C)C[C@@H]1COCCN1c1ccc(CN)cc1 2035712748 GLZBSAAQALOWRH-CQSZACIVSA-N 249.358 0.912 10 10 BCCE COCC1(O)CN(c2ccc3c(c2)CC[C@H]3O)C1 2065071886 OYQLMHNWMCSFEP-CYBMUJFWSA-N 249.310 0.864 10 10 BCCE OCc1ccc(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1 2070249747 AQPNDWGJKNYZFI-FQUUOJAGSA-N 249.310 0.642 10 10 BCCE C[C@@H]1C[C@@H](CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CN1 2249239722 RPHGIOCKPIOONX-CHWFTXMASA-N 238.331 0.640 10 10 BCCE [N-]=[N+]=NCCCNC(=O)[C@H]1CSC(=O)N1 42013039 LIGBGJNHMBYPJE-RXMQYKEDSA-N 229.265 0.628 10 10 BCCE C[C@@H](O)CN(C)C(=O)COc1ccc(N)cc1 51817262 HKURNZQEEWAEDG-SECBINFHSA-N 238.287 0.487 10 10 BCCE Cc1ccc(C(=O)N2CCNCC2)c(O)c1O 82653548 PPVJBKWNLOWKOB-UHFFFAOYSA-N 236.271 0.452 10 10 BCCE CCOC(=O)[C@H](NCCN=[N+]=[N-])[C@@H]1CCOC1 90257657 YZXYGSZEEWCOQX-RKDXNWHRSA-N 242.279 0.855 10 10 BCCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](O)C1 226989326 FJMUSBANAJWEHN-BXKDBHETSA-N 249.314 0.662 10 10 BCCE CN(CCN)C(=O)c1ccc(O)c(O)c1 234274230 YZZHVSQLRIPJMM-UHFFFAOYSA-N 210.233 0.129 10 10 BCCE CN[C@H]1C(=O)Nc2cc(N(C)CCCO)ccc21 305919870 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0.899 10 10 BCCE COc1cccc(O)c1[C@H](N)CS(C)(=O)=O 95780534 ZEOOBNSFPSADMI-SSDOTTSWSA-N 245.300 0.445 10 10 BCCE C[C@@H](N[C@@H]1CC(=O)N(C)C1=O)c1ccccc1O 115261323 UHRXAHSJYOITAL-PSASIEDQSA-N 248.282 0.800 10 10 BCCE NCc1ccc(N2CCn3cnnc3C2)cc1F 135228873 ULXNMGCNJHUNJI-UHFFFAOYSA-N 247.277 0.896 10 10 BCCE CN1CCN(c2ccc(CN)cc2O)CC1 146039463 NHLRYRCBJYHGBJ-UHFFFAOYSA-N 221.304 0.603 10 10 BCCE C[S@@](=O)CCNCc1cccc(O)c1O 163443478 DXOXHCQJKYEBRV-HNNXBMFYSA-N 229.301 0.566 10 10 BCCE O=C1N[C@H](c2ccccc2)C(=O)N/C1=C\O 205182178 WSNUQNLXONWSFX-JGAIRUGNSA-N 218.212 0.373 10 10 BCCE O=C1N[C@@H](C(=O)O)[C@@H](c2ccccc2O)N1 211407909 ZTSRJCUSAKXFKJ-HTQZYQBOSA-N 222.200 0.199 10 10 BCCE O=C(O)CC(=O)C(=O)c1ccc2[nH]c(=O)oc2c1 214304137 UKRNLJUHWZFGQJ-UHFFFAOYSA-N 249.178 0.348 10 10 BCCE CC(C)[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 226999168 PJFFYTQXHCGJSX-NSHDSACASA-N 239.271 0.845 10 10 BCCE CO[C@H](C)[C@](C)(NCCCN=[N+]=[N-])C(N)=O 229404743 CNCHJIXMXRXBHM-APPZFPTMSA-N 229.284 0.555 10 10 BCCE [N-]=[N+]=N[C@H]1C(=O)N2[C@@H]1CS[C@@H]2C(=O)O 238663322 FXKQQWIVAOMAIA-PAKKCRSFSA-N 214.206 0.034 10 10 BCCE COC(=O)[C@]1(c2ccccc2O)COCCN1 257940568 CACLIEXLKWQCRO-GFCCVEGCSA-N 237.255 0.380 10 10 BCCE N[C@H](C(=O)O)c1c(O)c(O)cc(Cl)c1F 258329181 VNFPMMUNPPYVPG-LURJTMIESA-N 235.598 0.975 10 10 BCCE CN(CC(N)=O)c1ccc2c(c1)OCCCO2 259010391 GFAJTYPDQFAOPR-UHFFFAOYSA-N 236.271 0.769 10 10 BCCE COC(=O)C[C@@H](N)c1cccc(CO)c1O 260224418 RWJOBHWKCUBTDA-SECBINFHSA-N 225.244 0.447 10 10 BCCE Oc1ccccc1CN1CCN2CCOC[C@@H]2C1 363891266 TUCGKKQTKQUOKS-ZDUSSCGKSA-N 248.326 0.909 10 10 BCCE CNCc1ccc(N2CC(O)C2)c(C)c1 383951515 BMSQSVZKGQDTNJ-UHFFFAOYSA-N 206.289 0.895 10 10 BCCE Cn1ncc(CNC(=O)Nc2ccc(N)cc2)n1 389906948 BGCZTXRGGFDOSJ-UHFFFAOYSA-N 246.274 0.719 10 10 BCCE Cc1ccc(O)c(CNCCCc2nn[nH]n2)c1 392651438 OKMHWIOXASPMQC-UHFFFAOYSA-N 247.302 0.936 10 10 BCCE COc1ccc(O)c([C@H]2NCC(=O)N2C)c1 393749277 MZDPELDOMXFJJV-NSHDSACASA-N 222.244 0.461 10 10 BCCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cncnc1 394068834 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CC(C)(N)C(=O)NCc1ccc(O)c(O)c1 83353228 JBXXGABDWAIHBS-UHFFFAOYSA-N 224.260 0.451 10 10 BCCE N[C@H](c1nnc(CO)o1)c1ccc(O)cc1O 83364367 BAKPXFYTKIZBNO-VIFPVBQESA-N 237.215 0.021 10 10 BCCE COC(=O)[C@@H](CN=[N+]=[N-])N1CCCNCC1 85622171 URMQUMHZLHZFGN-MRVPVSSYSA-N 227.268 0.134 10 10 BCCE C[C@H]1C(=O)NCCN1c1ccc([C@@H](C)N)c(O)c1 93671638 MQNUYXPVPYLZJP-BDAKNGLRSA-N 249.314 0.737 10 10 BCCE NC[C@@H](O)c1ccc(O)c(O)c1Cl 111438595 CSNOHCAVEOSPLF-ZCFIWIBFSA-N 203.625 0.743 10 10 BCCE C[C@@H](N)C[C@@H](C)NC(=O)c1cccc(O)c1O 126840039 WOQDVOFKMFKBLM-HTQZYQBOSA-N 238.287 0.953 10 10 BCCE [N-]=[N+]=N[C@@H](C[C@H](N=[N+]=[N-])C(=O)O)C(=O)O 196488732 NEQQMQVLABTFAC-HRFVKAFMSA-N 214.141 0.904 10 10 BCCE Nc1ccc(CN2CCCC2=S(=O)=O)cc1 204894178 XCOQRQCWHUBQSN-UHFFFAOYSA-N 238.312 0.874 10 10 BCCE COc1ccc2c(c1)[C@@H]([C@H](O)CN)CCN2C 215185818 VYWPTXVTVJTIGN-GXFFZTMASA-N 236.315 0.938 10 10 BCCE Nc1ccc(CN2C[C@H]3C[C@@H](O3)C2=O)cc1 215975746 RHFJYFGLBFLVQT-GHMZBOCLSA-N 218.256 0.769 10 10 BCCE 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CN1C[C@H](O)[C@H](N2CC[C@H](N=[N+]=[N-])C2)C1 1935138702 JWZFOLYLYCYCBI-YIZRAAEISA-N 211.269 0.046 10 10 BCCE CC1(CO)CN(c2ccc(CN)cc2)C1 1935348681 ZSMIIALSUCSNGN-UHFFFAOYSA-N 206.289 0.964 10 10 BCCE CCN1C[C@@H](O)[C@H](Oc2ccc(N)cc2)C1 1939847770 YGVSGCBEPZTFHY-VXGBXAGGSA-N 222.288 0.713 10 10 BCCE CC(=O)C(=O)[C@H](O)c1c(C)nc2ccccn12 1943174621 DSVAKBUDBKUFFE-GFCCVEGCSA-N 232.239 0.834 10 10 BCCE N[C@@H](c1ccccc1O)[C@]1(O)C[C@@H]2OCC[C@@H]21 1943689001 CRYXAFFLVWDPMI-BQUFFADESA-N 235.283 0.932 10 10 BCCE Cn1ncc([C@@H](O)[C@H](N)c2ccccc2O)n1 1943692292 XQRWIPJKDWOLBI-GHMZBOCLSA-N 234.259 0.254 10 10 BCCE CN1C(=O)C[C@H](NCc2ccc(N)cc2)C1=O 1944076679 WQBBVLJGCIRDBG-JTQLQIEISA-N 233.271 0.116 10 10 BCCE COc1ccc(O)c(CN2CCN[C@@H]3C[C@H]32)c1 1946753940 PNHPJGIBQNESIH-VXGBXAGGSA-N 234.299 0.947 10 10 BCCE Oc1ccc(C[C@@H]2CNCCOC2)cc1O 1952528808 HLTKXBMUJYVFGQ-SNVBAGLBSA-N 223.272 0.876 10 10 BCCE COC(=O)[C@@](C)(N)c1c(O)cccc1[N+](=O)[O-] 1952609746 XIMMDQKNUDZVAY-JTQLQIEISA-N 240.215 0.647 10 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BCCE OCC1(O)CN(c2ccc3c(c2)CCC[C@H]3O)C1 2065024726 GIRAWJDLQUHCSI-CYBMUJFWSA-N 249.310 0.600 10 10 BCCE Oc1ccccc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2212870176 ULRMRPJUYZFVEA-RAIGVLPGSA-N 237.299 0.756 10 10 BCCE COc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1C 2214293172 AKOISWHWIMHZKI-RYUDHWBXSA-N 237.299 0.936 10 10 BCCE CSc1ccc(COc2nnc(=N)[nH]n2)cc1 2302029789 NZACJOKOIKCPFJ-UHFFFAOYSA-N 249.299 0.980 10 10 BCCE Nc1c(F)cc2c(c1O)[C@@](N)(C(=O)O)CC2 309567449 UEUHQDGWVRHHRX-SNVBAGLBSA-N 226.207 0.298 10 10 BCCE CCC[C@H](N)CNC(=O)c1cccc(O)c1O 126842389 LMZRPUIAJRAZOU-QMMMGPOBSA-N 238.287 0.955 10 10 BCCE Cn1nnc(NC(=O)CCc2ccc(N)cc2)n1 126971906 PAJIJKKICXBDHO-UHFFFAOYSA-N 246.274 0.364 10 10 BCCE CCNC(=O)COC(=O)Cc1ccc(N)cc1 41098508 BEAXVUAGHMUDIK-UHFFFAOYSA-N 236.271 0.491 10 10 BCCE CN(C)c1ccc([C@@H](NN)c2cnnn2C)cc1 161518852 PAHDWHSVNHMPCO-GFCCVEGCSA-N 246.318 0.434 10 10 BCCE Cc1ccc(CNC[C@H](O)CO)c(O)c1 83346538 YLFVLDWEGVBQNY-JTQLQIEISA-N 211.261 0.143 10 10 BCCE NC[C@H](O)c1nc(-c2ccc(O)c(O)c2)no1 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N[C@H]1CCCc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 2065023112 XKTCYLDOXVDLQL-MELADBBJSA-N 248.326 0.565 10 10 BCCE COc1cc(N(C)[C@@H]2CCNC2=O)ccc1CN 2084015173 CMWRPKADHCKILA-LLVKDONJSA-N 249.314 0.479 10 10 BCCE CCc1ccccc1COc1nnc(=N)[nH]n1 2300523875 KJUVCVLCAHSLQA-UHFFFAOYSA-N 231.259 0.821 10 10 BCCE OCC[C@H](O)CCNCc1cccc(F)c1O 2306864901 GCSRIIUAHNUWLP-SNVBAGLBSA-N 243.278 0.754 10 10 BCCE C[C@H](N)c1ccc(N2CCNC(=O)C2)c(F)c1 19872624 NNLPJHPDVKMZRD-QMMMGPOBSA-N 237.278 0.782 10 10 BCCE CN(C)c1ccc(CNNC(N)=S)cc1 25502980 BXSUYUMCFBFYNM-UHFFFAOYSA-N 224.333 0.590 10 10 BCCE COC(=O)CCS(=O)(=O)CCN=[N+]=[N-] 42416544 XHLVIWVCSHOCST-UHFFFAOYSA-N 221.238 0.275 10 10 BCCE Cc1ccc([C@@H]2NCCNC2=O)c(O)c1 82931942 ZFGVQUHPXYQMSI-JTQLQIEISA-N 206.245 0.461 10 10 BCCE CCC(=O)N1CCN(c2ccc(N)cc2)C(=O)C1 84568427 UPPRLLDIMXJQQY-UHFFFAOYSA-N 247.298 0.854 10 10 BCCE C[C@H](NC[C@](C)(O)CO)c1ccccc1O 85250321 SRCMFSZQTPDUTL-CABZTGNLSA-N 225.288 0.786 10 10 BCCE Nc1ccc(CCc2nc(CCO)no2)cc1 122269033 JJQCBMVHPHHSGD-UHFFFAOYSA-N 233.271 0.972 10 10 BCCE O=C(NC[C@H]1CCCN1)c1cccc(O)c1O 126664307 MFTPKJWHTBMMMI-MRVPVSSYSA-N 236.271 0.580 10 10 BCCE CC(C)(CCN)NC(=O)c1cccc(O)c1O 126843795 RNQWSDOOPKDXGX-UHFFFAOYSA-N 238.287 0.955 10 10 BCCE Cc1ccc(O)c([C@H](C)NOCC(N)=O)c1 168010305 IAWSQMPVDMNZQE-QMMMGPOBSA-N 224.260 0.768 10 10 BCCE C[C@H](N)[C@@H](O)c1cnc2ccn(C)c2c1 215274677 UYRVBGIGVQVMDR-WRWORJQWSA-N 205.261 0.954 10 10 BCCE CN(Cc1ccc(N)cc1)C(=O)c1cn(C)nn1 310993149 MCHSQYVJOCLKRL-UHFFFAOYSA-N 245.286 0.670 10 10 BCCE C[S@](=O)CC[S@](=O)CCN=[N+]=[N-] 320010994 VHWSXGHMZSBJJU-NWDGAFQWSA-N 209.296 0.424 10 10 BCCE COC[C@@](C)(O)CNCc1cccc(O)c1O 382564322 NDWDRQZKJBAZFF-LBPRGKRZSA-N 241.287 0.585 10 10 BCCE Oc1n[nH]c(CN[C@H]2CCc3cccc(O)c32)n1 392451230 JUWUFUUNGCHETP-QMMMGPOBSA-N 246.270 0.993 10 10 BCCE C[C@@H](N)c1ccc(N2CC(C)(O)C2)cc1O 394899960 BQTAOUYQLKWURG-MRVPVSSYSA-N 222.288 0.983 10 10 BCCE CO[C@H]1C=C([N+](=O)[O-])[C@H](CN=[N+]=[N-])O1 687760236 VGRJCCCHIMVXLU-NTSWFWBYSA-N 200.154 0.829 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H](CO)[C@@H](CO)C1 704810150 KLRSZEROXRQHIV-DTORHVGOSA-N 214.269 0.219 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2COC[C@H]2C1 718194282 OCKUBXSXASTJCS-AOOOYVTPSA-N 249.266 0.816 10 10 BCCE CCO[C@H](C)C(=O)OCC(=O)C(C)=O 808504228 WQISYXQEYZXOLH-SSDOTTSWSA-N 202.206 0.113 10 10 BCCE O=C(Cc1ccon1)NCc1cc(O)ccc1O 1643882600 ZZSWGAZHCNBFHB-UHFFFAOYSA-N 248.238 0.945 10 10 BCCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]1CN2C(N)=O 1896862376 DEILIFWFGNXPBZ-YUMQZZPRSA-N 224.268 0.524 10 10 BCCE [N-]=[N+]=NCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]21 1912154000 KOOZKBVTVXILSW-SFYZADRCSA-N 230.293 0.416 10 10 BCCE C[C@@H]1[C@@H]2OCC[C@H]2[C@@]1(NCCN=[N+]=[N-])C(N)=O 1912206094 RHIVBWARUUMACE-BDNRQGISSA-N 239.279 0.165 10 10 BCCE N[C@@H]1COC[C@@H]1Sc1nccs1 1929008474 HNRANHOMVKJLRL-RITPCOANSA-N 202.304 0.961 10 10 BCCE COc1ccc(N(C)C[C@]2(O)CCNC2)cc1 1940185520 UZGGYQLYAYDPSG-ZDUSSCGKSA-N 236.315 0.856 10 10 BCCE NC[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 1940986030 FESALIZYQAKIPC-OCAPTIKFSA-N 236.271 0.565 10 10 BCCE CNCc1ccc(OC[C@@H]2CC(=O)N2)c(C)c1 1949343224 OIRLPJKVUIXEOD-NSHDSACASA-N 234.299 0.982 10 10 BCCE C[C@@H](O)[C@@H](N)Cc1cc(O)c(O)c(O)c1 1951971852 WPLUFZMVBGPFPR-VDTYLAMSSA-N 213.233 0.054 10 10 BCCE COC[C@@H](C(=O)O)N(C)Cc1ccccc1O 1963461583 BRKNMBJZPMVAEL-JTQLQIEISA-N 239.271 0.924 10 10 BCCE CNCc1ccc(N2CC([S@](C)=O)C2)cc1 1981171752 CXIOQHAVBBGVRR-INIZCTEOSA-N 238.356 0.973 10 10 BCCE CN(CCO)c1ccc(CO)c([N+](=O)[O-])c1 1987981577 BMILSUATKIBSPX-UHFFFAOYSA-N 226.232 0.516 10 10 BCCE C[C@@H]1CNC[C@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2003171753 AJPXNNPOWHQVPQ-PRFIWBCESA-N 238.331 0.498 10 10 BCCE O=C(NC[C@H]1C[C@@H]1CO)c1ccc(O)c(O)c1 2005975190 YQVOBQATZGZTJM-RKDXNWHRSA-N 237.255 0.456 10 10 BCCE NCc1ccc2c(c1)CCN2CCOCCO 2015769472 JBUXAXYHJKFESZ-UHFFFAOYSA-N 236.315 0.517 10 10 BCCE Cc1cccc(N)c1N[C@@H]1CO[C@H]2CNC[C@H]12 2017005015 YNEGALATIDYFDX-JLLWLGSASA-N 233.315 0.976 10 10 BCCE O=C(NC[C@@H]1C=CCN1)c1ccc(O)c(O)c1 2021746804 NYRAXARYKZVARN-VIFPVBQESA-N 234.255 0.356 10 10 BCCE NN[C@H](c1ccccc1O)C1COCCOC1 2024258397 COMFGNFCHPXBKO-LBPRGKRZSA-N 238.287 0.560 10 10 BCCE CN(Cc1ccc(N)cc1)C(=O)Cn1cncn1 2029786352 BLJBWFCVQSGYIN-UHFFFAOYSA-N 245.286 0.519 10 10 BCCE Nc1ccc(N2C(=O)N[C@H](C3COC3)C2=O)cc1 2042971481 CYRGBCXXEHHLSH-SNVBAGLBSA-N 247.254 0.340 10 10 BCCE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])nn1 2213590119 YWMVDKYCXPMGNE-RNFRBKRXSA-N 235.251 0.776 10 10 BCCE O=C1CCC2(CN(c3ccc(CO)cc3)C2)N1 2216166269 MZDSTBICIFTIPZ-UHFFFAOYSA-N 232.283 0.648 10 10 BCCE CSc1ncc(CNC(=O)CCO)s1 2241587574 OJOOIYBURTUDCN-UHFFFAOYSA-N 232.330 0.864 10 10 BCCE NCCC1=NCCc2cc(O)c(O)cc21 39096443 GFVZIVKXTUEVJE-UHFFFAOYSA-N 206.245 0.792 10 10 BCCE Oc1cccc2c1[C@@H](c1nc[nH]n1)NCC2 83659834 JWVFYHWNLAIKEO-JTQLQIEISA-N 216.244 0.745 10 10 BCCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCCOCC1 90260433 XNUDNUCVZYSBKX-JTQLQIEISA-N 241.295 0.701 10 10 BCCE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CCO1 90260650 BTVRFHRXUTWAJM-SCZZXKLOSA-N 241.295 0.699 10 10 BCCE C[C@H](CCO)NCc1ccc(O)cc1O 96811507 TXGQKEVAXGOZED-MRVPVSSYSA-N 211.261 0.958 10 10 BCCE CO[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 234847196 XJDSOSQZOJBFNR-LBPRGKRZSA-N 249.314 0.928 10 10 BCCE NCc1ccc(N2CC[C@H](O)C2)c(F)c1F 236231118 YXTCYPOMVOLSCW-QMMMGPOBSA-N 228.242 0.995 10 10 BCCE [N-]=[N+]=N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H]1O 256004394 UJTLQEPJDHHFHA-ATRFCDNQSA-N 237.219 0.324 10 10 BCCE Nc1ccc(N2C(=O)NC[C@]23CCNC3)cc1 258111651 UGZMGTMJIHRDMV-GFCCVEGCSA-N 232.287 0.531 10 10 BCCE CCNC(=O)C[S@@](=O)Cc1ccc(N)cc1 300764937 BLUDKTOZXDSXEG-INIZCTEOSA-N 240.328 0.654 10 10 BCCE Cc1cc(CN)ccc1N(C)CCOCCO 306042636 SGBJHGRWXGIUEJ-UHFFFAOYSA-N 238.331 0.899 10 10 BCCE [N-]=[N+]=N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N=[N+]=[N-])[C@@H]1O 308696880 SGIHXRGQULNAIZ-UKFBFLRUSA-N 212.169 0.460 10 10 BCCE CCOc1cccc([C@@H]2NCC(=O)N2)c1O 309959749 KJYIUQOOSVIHQY-LLVKDONJSA-N 222.244 0.509 10 10 BCCE CNC(=O)C1CN(Cc2ccc(N)cc2)C1 381917977 HENDNXLRYMDXDS-UHFFFAOYSA-N 219.288 0.447 10 10 BCCE C[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1O 387754521 AYPAUNGNERFBTE-BXKDBHETSA-N 249.314 0.520 10 10 BCCE CCN(C[C@H](C)N)C(=O)c1cccc(O)c1O 692082348 XCOUBCXBEOZHDH-QMMMGPOBSA-N 238.287 0.907 10 10 BCCE NCC12CC(CN1C(=O)c1cccc(O)c1O)C2 694604454 UMZDLCVYMWVESE-UHFFFAOYSA-N 248.282 0.661 10 10 BCCE Cc1c(C(=O)NCCN=[N+]=[N-])cnc2ncnn12 701296464 ILVLOGONRAHDOT-UHFFFAOYSA-N 246.234 0.473 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1nc[nH]n1 701306571 OIEXWILGUZRION-ZCFIWIBFSA-N 221.224 0.720 10 10 BCCE O[C@H]1CC[C@@H]1Oc1ccc(N2CCNCC2)cc1 704033522 JPGXMEGUTRNTDA-KBPBESRZSA-N 248.326 0.998 10 10 BCCE Cc1cc(N(C)[C@@H]2COC[C@H]2O)ccc1CO 708587503 GIEKOHJBHSRTNA-CHWSQXEVSA-N 237.299 0.683 10 10 BCCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnc(C)[nH]1 724782461 AIEHMPRQIJVNBQ-MRVPVSSYSA-N 238.251 0.832 10 10 BCCE C[C@@]1(NC(=O)Nc2ccc(N)cc2)CCNC1=O 904499172 CNCBGLFBZWTOSF-GFCCVEGCSA-N 248.286 0.669 10 10 BCCE O=C(Cc1cc[nH]n1)NCc1c(O)cccc1O 1647270731 YMTJTHALALXPGK-UHFFFAOYSA-N 247.254 0.680 10 10 BCCE NC(=O)c1ccc(NN=NCC(=O)O)cc1 1860489127 YTFSHWRZJOBIOM-UHFFFAOYSA-N 222.204 0.649 10 10 BCCE CCN(CCN=[N+]=[N-])C(=O)CCNC(C)=O 1900608336 ZGCNSWJPANRZJY-UHFFFAOYSA-N 227.268 0.671 10 10 BCCE Cc1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)o1 1902615794 VWACTYCGQQIFKD-ZETCQYMHSA-N 224.224 0.409 10 10 BCCE [N-]=[N+]=N[C@@H]1CCN(CC[C@H]2CCNC2=O)C1 1912144484 UBTXIDNHOLEJDI-RKDXNWHRSA-N 223.280 0.897 10 10 BCCE Cn1cnnc1CN1CC[C@@H](N=[N+]=[N-])C1 1912157369 SLIMOPVNOLAQQP-SSDOTTSWSA-N 207.241 0.700 10 10 BCCE CC[C@@H]1C(=O)NC(=O)CN1CCCCN=[N+]=[N-] 1912205940 DHJFVMPRCSSRIV-MRVPVSSYSA-N 239.279 0.814 10 10 BCCE CO[C@H](C)[C@@H](O)[C@H](N)c1ccccc1O 1929437806 HLKKJZQAXIGPOY-AVPPRXQKSA-N 211.261 0.788 10 10 BCCE Nc1cccc(F)c1N[C@@H]1COC[C@H]1CO 1937182458 WNMXDHISTKZIEM-GMSGAONNSA-N 226.251 0.827 10 10 BCCE CC(=O)C(=O)[C@@H](O)c1cccn2ccnc12 1938478955 VQYUJKSDFGQAMO-JTQLQIEISA-N 218.212 0.526 10 10 BCCE NCc1ccc(N2C[C@H](O)[C@H](F)C2)c(F)c1F 1944250508 FLSNKORNLOWDOG-APPZFPTMSA-N 246.232 0.943 10 10 BCCE O=C1C[C@@H](NCc2cc(F)ccc2O)C(=O)N1 1947013998 SECIIXWKEILZOH-MRVPVSSYSA-N 238.218 0.036 10 10 BCCE COC(=O)C[C@@H](N)c1cc(O)nc(O)c1 1951657000 IYMLDEYDMJXGSX-ZCFIWIBFSA-N 212.205 0.056 10 10 BCCE CN(C)c1ccc([C@H]2NCCNC2=O)cc1F 1951892800 UDQTVZQVMGOGET-LLVKDONJSA-N 237.278 0.652 10 10 BCCE Cn1ccc2c([C@@H]3NCCNC3=O)cccc21 1951903507 VJZLUUUTIRYSAH-LBPRGKRZSA-N 229.283 0.939 10 10 BCCE N[C@@H](c1cc2ccccc2cc1O)[C@@H](O)C(=O)O 1952071675 BSESSDCTSWAHOI-NWDGAFQWSA-N 247.250 0.991 10 10 BCCE CN1CC[C@H](N)[C@H]1c1ccc(O)c(O)c1O 1952302683 MITIADTWTQRDPD-IONNQARKSA-N 224.260 0.507 10 10 BCCE CCn1cnc(Cl)c1[C@H](O)C(=O)C(C)=O 1962504772 VYGUAEJYKVVMPG-QMMMGPOBSA-N 230.651 0.748 10 10 BCCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CCS(=O)(=O)C1 1984485573 NVOFJYJNOBQUPE-IUCAKERBSA-N 244.320 0.948 10 10 BCCE C[C@H]1[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 1985728024 GMUZYGNZJFZWRE-KWQFWETISA-N 220.272 0.403 10 10 BCCE [N-]=[N+]=NCCCCN1CCN[C@H]2COC[C@@H]21 1988231472 TZFSDTDTAMENLW-UWVGGRQHSA-N 225.296 0.750 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@]12CO[C@](CF)(C1)C2 1993874587 LBNFFWDOUKNTNS-KYZUINATSA-N 228.227 0.932 10 10 BCCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CO[C@H]3COC[C@@H]23)C1 1996389406 HEUIZQIQQHZXEH-YIZRAAEISA-N 238.247 0.169 10 10 BCCE [N-]=[N+]=NCC1(CNC(=O)[C@H]2CNC(=O)C2)CC1 2006020336 HKYZKWBJYNZCNT-SSDOTTSWSA-N 237.263 0.329 10 10 BCCE Nc1ccc(CCOC[C@]2(O)CCOC2)cc1 2007427692 WHWMAXFEBNMLTB-CYBMUJFWSA-N 237.299 0.979 10 10 BCCE Oc1nnc(CNCc2cc(F)ccc2O)o1 2023059282 GKVLEHUQWKKJFA-UHFFFAOYSA-N 239.206 0.910 10 10 BCCE COC[C@@H](NCc1ccc(C)cc1O)C(N)=O 2024808349 HTDGYROCKNMHPB-SNVBAGLBSA-N 238.287 0.291 10 10 BCCE CNC(=O)OCCNCc1ccc(F)cc1O 2024897407 HSOJKCVRXFXRBS-UHFFFAOYSA-N 242.250 0.977 10 10 BCCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)ccc21 2031692411 XWTNZEOAQUBATD-SKDRFNHKSA-N 247.298 0.470 10 10 BCCE NCCOCCOCCNc1ccc(N)cc1 2213456651 QVBOYKVKIXAMRX-UHFFFAOYSA-N 239.319 0.673 10 10 BCCE OC[C@@H]1COCCN1c1ccc2c(c1)COCC2 2219525127 YBUFZYKKTDFRBI-CQSZACIVSA-N 249.310 0.957 10 10 BCCE NCc1ccc(N2C[C@@H]3CCO[C@@]3(CO)C2)cc1 2223467975 BKAMMMLVGJYAIS-GXTWGEPZSA-N 248.326 0.733 10 10 BCCE NCc1ccc(N2C[C@@H](C(N)=O)C3(CC3)C2)cc1 2321096554 SRLFJJWADHAUIW-LBPRGKRZSA-N 245.326 0.847 10 10 BCCE [N-]=[N+]=NCCCN1CCC[C@@H](C(N)=O)C1 42415729 MYZHFODPQLFOFA-MRVPVSSYSA-N 211.269 0.884 10 10 BCCE [N-]=[N+]=NCCn1cnc2c(N)ncnc21 43461263 PNXSDXBXPQWNFJ-UHFFFAOYSA-N 204.197 0.719 10 10 BCCE COc1cc(O)c(CNCCO)c(OC)c1 83355273 FMVDQBFYXMIWSU-UHFFFAOYSA-N 227.260 0.491 10 10 BCCE CCOC(=O)C1(NCCN=[N+]=[N-])CCNCC1 90257519 PSBQWLQLYKMSAX-UHFFFAOYSA-N 241.295 0.572 10 10 BCCE CC(C)OCCS(=O)(=O)NCCN=[N+]=[N-] 93667474 CRPIKRWWRLMVTK-UHFFFAOYSA-N 236.297 0.641 10 10 BCCE COC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C(C)C 126902735 WDTYIAODFQRRJO-JTQLQIEISA-N 243.311 0.803 10 10 BCCE O[C@H]1CCOc2ccc(N3CCNCC3)cc21 167807777 ZBQXETHXHJEKAN-LBPRGKRZSA-N 234.299 0.912 10 10 BCCE C[C@@H](N)c1ccc2c(c1)CCN2CC(N)=O 168990939 YPAFHTIDXZTSPD-MRVPVSSYSA-N 219.288 0.554 10 10 BCCE N[C@@H](CO)c1c(O)c(Cl)cc(O)c1F 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0.760 10 10 BCCE CN(CCN=[N+]=[N-])C(=O)N1CCC[C@H]1CO 1978724778 DPYWMZCMSYTXCI-QMMMGPOBSA-N 227.268 0.805 10 10 BCCE CN(C[C@](C)(O)CO)c1ccc(CN)cc1 1980081151 YUVKFGKTBBOYHA-LBPRGKRZSA-N 224.304 0.325 10 10 BCCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@]2(O)CCOC2)C1 1980667129 RJBFTHBOKKWGCM-ZJUUUORDSA-N 226.280 0.913 10 10 BCCE [N-]=[N+]=NC[C@H]1CCCN1C[C@]1(O)CCOC1 1984485644 PARQTCUFCXUBIL-NXEZZACHSA-N 226.280 0.913 10 10 BCCE C[C@H]1CNC(=O)CN1c1ccc(CO)cc1 1985205339 NUXMQURYJXNQPI-VIFPVBQESA-N 220.272 0.504 10 10 BCCE Cc1nsc([C@@H](NCCN=[N+]=[N-])C(N)=O)n1 1991772976 VLOGIBDZWJHKHQ-YFKPBYRVSA-N 241.280 0.273 10 10 BCCE N[C@H]1CCC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 2003173085 UBIGBLAJVBNNPR-DBIOUOCHSA-N 238.331 0.770 10 10 BCCE C[C@](N)(CC(F)F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2006529136 SCSPOPRMHOCGGU-HFJPGXAFSA-N 248.273 0.625 10 10 BCCE CC(C)(CN)CNCc1cc(O)c(O)c(O)c1 2015112744 SKEIFFNUPUMJLO-UHFFFAOYSA-N 240.303 0.878 10 10 BCCE CNCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 2016967751 KDLOUQFILJYMJB-SNVBAGLBSA-N 235.331 0.926 10 10 BCCE OC[C@]1(NCc2cccc(O)c2O)C[C@@H](O)C1 2020600604 YWHLWDKYKZUYDQ-WVSHTKLVSA-N 239.271 0.073 10 10 BCCE COc1ccc(N(C)[C@H]2CCC(=O)NC2)c(N)c1 2063561688 MFZHDKWMHHYCCB-VIFPVBQESA-N 249.314 0.992 10 10 BCCE Nc1cc2c(cc1N1CCCNCC1)OCCO2 2071613569 UHZGYNWHNSJTQA-UHFFFAOYSA-N 249.314 0.840 10 10 BCCE Nc1cc2c(cc1N1CC[C@@H](N)C1)NC(=O)CO2 2071618150 OUNLRXBVZGVTBO-SSDOTTSWSA-N 248.286 0.137 10 10 BCCE Nc1ccc(OCC(=O)N2CCN[C@H]3C[C@@H]32)cc1 2071705771 IGTSSVCMSYUMER-RYUDHWBXSA-N 247.298 0.220 10 10 BCCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1C 2214291750 MZUCLXBAVZVWPW-PWSUYJOCSA-N 237.299 0.793 10 10 BCCE CC1(C)COc2ccc(N3C[C@H](O)[C@H](O)C3)cc21 2219469624 LXUHVTRGVFTIQP-TXEJJXNPSA-N 249.310 0.898 10 10 BCCE O=c1[nH]cncc1-c1ccc(O)c(O)c1 39096356 AZZWOYQCSJEVAB-UHFFFAOYSA-N 204.185 0.848 10 10 BCCE Nc1cc2c(cc1N1CC[C@@H](O)C1)NC(=O)CO2 61709410 MJQMDAKHCVNNSN-SSDOTTSWSA-N 249.270 0.171 10 10 BCCE N[C@H](C(=O)O)c1cc([N+](=O)[O-])cc(F)c1O 72196410 DTJSPZCXQHRNIA-LURJTMIESA-N 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384023642 ZVOZBTAYWOFITL-UHFFFAOYSA-N 236.315 0.651 10 10 BCCE O=C(c1ccc(O)c(O)c1)N1CCCN1 400293739 QJJBVIXIFIPVQS-UHFFFAOYSA-N 208.217 0.448 10 10 BCCE COC[C@H](OC)C(=O)NCCCCN=[N+]=[N-] 691109651 GGDVXBPIAJXOOJ-QMMMGPOBSA-N 230.268 0.855 10 10 BCCE COc1ccc(CN(C)[C@@H](C)C(N)=O)c(O)c1 711139814 OWAFQZUFADDHRS-QMMMGPOBSA-N 238.287 0.706 10 10 BCCE C[C@H](NC[C@@H](O)[C@@H](C)O)c1cc(F)ccc1O 717404834 OUULXQSESDWBQX-JOAULVNJSA-N 243.278 0.924 10 10 BCCE CCC(=S)COC(=O)[C@H]1CSCN1 720444577 VSALYSSFKSTQOG-SSDOTTSWSA-N 219.331 0.972 10 10 BCCE CCO[C@@H](CC)C(=O)OCC(=O)C(C)=O 808509832 WBGZQKFUWWYAKO-VIFPVBQESA-N 216.233 0.503 10 10 BCCE COCC1(O)CC(C(=O)NCCN=[N+]=[N-])C1 1903008490 SBQZGBZDFJOITQ-UHFFFAOYSA-N 228.252 0.200 10 10 BCCE Cn1nc(O)cc1C(=O)NCc1ccc(N)cc1 1913091957 LDCYUZQWDLIPJL-UHFFFAOYSA-N 246.270 0.638 10 10 BCCE Cc1cc(N2CC(C)(C(N)=O)C2)ccc1CO 1914214128 PKAQSWAOLHBDIJ-UHFFFAOYSA-N 234.299 0.799 10 10 BCCE CN1C[C@@H](O)[C@H](N2CCC[C@@H](N=[N+]=[N-])CC2)C1 1950782910 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2003171209 VHOXQSDOBNNEMB-OPRDCNLKSA-N 236.315 0.394 10 10 BCCE CC1(NC(=O)Cc2ccc(N)cc2)CC(O)C1 2011431912 KPXXPSPSUYTHTP-UHFFFAOYSA-N 234.299 0.841 10 10 BCCE O=C(NCC1(O)CC1)c1cc(O)c(O)c(O)c1 2015075512 SKANZIKDFAGRAM-UHFFFAOYSA-N 239.227 0.058 10 10 BCCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2025304152 PHXSHNLPMPXYDH-SDDRHHMPSA-N 241.262 0.059 10 10 BCCE Cn1ccnc1Cn1ccc2c(c1=O)CNCC2 2033371086 OBGSJOJSSPWKQE-UHFFFAOYSA-N 244.298 0.276 10 10 BCCE NC(=O)[C@H]1CCN(c2ccc3c(c2)CC[C@@H]3N)C1 2065083050 JTVWOPIXQTZOEP-GWCFXTLKSA-N 245.326 0.944 10 10 BCCE Nc1ccc(CCC(=O)N2C[C@@H]3C[C@H](C2)N3)cc1 2071670762 FDNYNCALXUYGOW-BETUJISGSA-N 245.326 0.774 10 10 BCCE NC(=O)c1cccc(N)c1N[C@H]1[C@H]2NCCC[C@H]21 2071687864 DDOKXPQCWBOOGS-VSYUYLJXSA-N 246.314 0.530 10 10 BCCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41 2087008927 KDSLRGDWMNCHTM-QLYCUFJASA-N 247.302 0.642 10 10 BCCE COc1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1 2214239381 BJHFVXQXFFTCHE-GXFFZTMASA-N 237.299 0.875 10 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NC(=O)NCCNC(=O)Nc1ccc(N)cc1 133043194 NFCKUYJRPBSIRK-UHFFFAOYSA-N 237.263 0.059 10 10 BCCE C[C@@H](CNCc1ccccc1O)C(N)=O 162953979 CRQJKFDZWPAVEV-QMMMGPOBSA-N 208.261 0.603 10 10 BCCE C[C@H](CNCc1cccc(O)c1O)[S@](C)=O 163464877 MDKFBVUGWQGQOE-VPTHRUTESA-N 243.328 0.954 10 10 BCCE CCCN(c1ccc(N)cc1)S(N)(=O)=O 167407596 HEIKYACGANEWNR-UHFFFAOYSA-N 229.305 0.689 10 10 BCCE Nc1ccc(CNC(=O)CC(=O)O)cc1 169811305 YLCICKMRKZXYKU-UHFFFAOYSA-N 208.217 0.360 10 10 BCCE Nc1ccc(N2C[C@H]3C[C@@H](N3)C2=O)cc1 215159801 LRSQPGHWLUKDDK-PSASIEDQSA-N 203.245 0.346 10 10 BCCE NC(=O)[C@@H]1CCN(Cc2cccc(F)c2O)C1 226561447 ZLYCBVOYYGNRLP-SECBINFHSA-N 238.262 0.839 10 10 BCCE CO[C@H]1CNC(=O)N(c2ccc(N)cc2)C(=O)C1 232145381 WWMXITBOQXKIPS-SNVBAGLBSA-N 249.270 0.730 10 10 BCCE COCCNC(=O)c1ccsc1N 238338145 JEUHCVLDXJWFDB-UHFFFAOYSA-N 200.263 0.707 10 10 BCCE Cc1ccccc1CO[C@]1(C)C(=O)NN(C)C1=O 248167982 SUKALUXZLRGQKM-CYBMUJFWSA-N 248.282 0.774 10 10 BCCE C[C@H](N)c1ccc(N2CC(=O)N(C)C(=O)C2)cc1 258230528 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248.286 0.428 10 10 BCCE COCC1(N)CC(=Cc2nccn2C)C1 1932449663 UAKFWONQXYNHCU-UHFFFAOYSA-N 207.277 0.941 10 10 BCCE Cc1cc(N2CC[C@@H]2C(N)=O)ccc1CN 1936592010 VLHNHJUSZWYWRN-LLVKDONJSA-N 219.288 0.518 10 10 BCCE Oc1cc(OC2CCNCC2)cc(O)n1 1951672406 HIALTACZEPRTRL-UHFFFAOYSA-N 210.233 0.624 10 10 BCCE CC1(C)CN(CCN=[N+]=[N-])CCS1(=O)=O 1961288049 DEEYWBDBMQALSR-UHFFFAOYSA-N 232.309 0.806 10 10 BCCE [N-]=[N+]=NCCNC(=O)[C@H]1CCn2ncnc2C1 1963815581 ANOBUHRMFAUUGB-ZETCQYMHSA-N 235.251 0.267 10 10 BCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1 1977128353 NKVQXHJEHJZSFM-TXEJJXNPSA-N 222.288 0.077 10 10 BCCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2CCNC(=O)C2)C1 1979012413 HPCQHGQZBWTWRS-IUCAKERBSA-N 223.280 0.897 10 10 BCCE CCN(CCN)Cc1cc(O)c(O)c(O)c1 1988121801 PJUGSONYYUSLJS-UHFFFAOYSA-N 226.276 0.584 10 10 BCCE NC[C@@H]1COCCN1Cc1c(O)cccc1F 1997972238 WXBDZFLWFVSOIU-SECBINFHSA-N 240.278 0.691 10 10 BCCE Nc1ccc(OCC(=O)N[C@H]2CC[C@H]2O)cc1 1998369908 VNRMJDZMVWHDBA-WDEREUQCSA-N 236.271 0.287 10 10 BCCE 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COc1ccc(O)c([C@H]2C[C@H](O)CN2)c1 1952054802 GWFWZFUYWXRCGZ-OIBJUYFYSA-N 209.245 0.796 10 10 BCCE Oc1ccc([C@H]2CNCCOC2)c(O)c1O 1952602860 SPBAATYTJBWXHQ-ZETCQYMHSA-N 225.244 0.507 10 10 BCCE C[C@@](O)(CN1CCC[C@H]1CN=[N+]=[N-])C(=O)O 1984486240 YMWLHMNEZSEOIA-IONNQARKSA-N 228.252 0.597 10 10 BCCE Nc1cccc(F)c1N[C@H]1CCNC[C@H]1O 1989341933 WOPDHQJNALYHDM-VHSXEESVSA-N 225.267 0.543 10 10 BCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)cc1 1993991426 FNRIZQRSRRSVOD-RTXFEEFZSA-N 219.284 0.996 10 10 BCCE OCC1(NCc2ccc3c(c2)CCO3)COC1 2015352436 CSKYJWAWHILZMK-UHFFFAOYSA-N 235.283 0.472 10 10 BCCE C[C@]1([C@@H](NN)c2ccccc2O)COCCO1 2021908861 VDMSSFJLRRWMID-NWDGAFQWSA-N 238.287 0.702 10 10 BCCE NCc1ccc(N2C[C@@]3(CO)C[C@]3(CO)C2)cc1 2029649632 UDKWSKHBTVMQMS-ZIAGYGMSSA-N 248.326 0.326 10 10 BCCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1C[C@H](O)C1 2058953441 CQFSJVLUVOTFGV-KBVBSXBZSA-N 248.282 0.632 10 10 BCCE O[C@H]1C[C@@H](O)CN(c2ccc3c(c2)CC[C@H]3O)C1 2065071823 NWVRXJLAYWDAQB-MBNYWOFBSA-N 249.310 0.598 10 10 BCCE Cc1cnccc1N(C)C(=O)C1=C[C@H](O)[C@@H](N)C1 2067754447 GFFAKPOUFMCYAT-JQWIXIFHSA-N 247.298 0.371 10 10 BCCE COc1cc(N2C[C@H]3[C@H](O)C[C@H]3C2)ccc1CN 2084011836 HXCASTKIBOBXRO-CYZMBNFOSA-N 248.326 0.971 10 10 BCCE Nc1cc(NS(=O)(=O)NC2CC2)ccc1O 2211393209 KXNSOEBFTJZSOF-UHFFFAOYSA-N 243.288 0.383 10 10 BCCE Nc1ccc(NCC[C@@]2(O)CCNC2)cc1 2212238975 JJEPTCNCADFUGD-LBPRGKRZSA-N 221.304 0.795 10 10 BCCE CN(C)c1ccc(OC[C@](C)(O)C(=O)O)cc1 2215965986 GDPPWCKZMGRVFT-LBPRGKRZSA-N 239.271 0.967 10 10 BCCE COc1ccc(N2CC(NC(C)=O)C2)c(C=O)c1 2220421259 KOUWAISJPCHFBZ-UHFFFAOYSA-N 248.282 0.832 10 10 BCCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1ccc(C)cc1O 2249815828 XIZCPDCATAKLJW-DRZSPHRISA-N 237.299 0.938 10 10 BCCE Nc1ccc(CC(=O)NC[C@@H]2CC[C@@H]2N)cc1 2250256859 CDFIWFFBTBTVMM-JQWIXIFHSA-N 233.315 0.665 10 10 BCCE C[C@H]1[C@@H](O)CCN1c1ccc2c(c1)NC(=O)[C@H]2N 2260452793 IOQPRSHFVISGFF-QILRFPOHSA-N 247.298 0.598 10 10 BCCE COc1ccc(N2CC(O)(CN(C)C)C2)cc1 2303685547 WGYHCKNIERYMAZ-UHFFFAOYSA-N 236.315 0.808 10 10 BCCE N[C@@H](c1nnco1)c1cc([N+](=O)[O-])ccc1O 83362950 ZOZLLNJPUDZKRY-MRVPVSSYSA-N 236.187 0.732 10 10 BCCE CN(C)c1ccc([C@@H](CN)NCCO)cc1 83758248 VDJCKGBNITVCMV-GFCCVEGCSA-N 223.320 0.334 10 10 BCCE COC[C@@H](O)[C@@H](N)c1c(C)ccc(N)c1O 95804299 OUGUZBHZPZZNDR-PSASIEDQSA-N 226.276 0.290 10 10 BCCE Nc1ccc(Oc2nc(N)nc(N)n2)cc1 100719036 CZPSCYMSZUUSGA-UHFFFAOYSA-N 218.220 0.411 10 10 BCCE Cn1ccc(COc2cccnc2N)n1 123788760 VXHLPNGHCJYFNK-UHFFFAOYSA-N 204.233 0.976 10 10 BCCE CCN(CCCO)C(=O)c1cccc(O)c1O 126544576 HLRHQOPMPQAFJE-UHFFFAOYSA-N 239.271 0.942 10 10 BCCE CC(=O)NC1CCN(CCN=[N+]=[N-])CC1 160349449 ORKUFNDGBZKAQU-UHFFFAOYSA-N 211.269 0.897 10 10 BCCE CNC1=N[C@](C)(c2ccc(N(C)C)cc2)C(=O)N1 213097985 QHZIROSUERDHRY-CYBMUJFWSA-N 246.314 0.673 10 10 BCCE NC(=O)C[C@@H](Nc1ccc(N)cc1)C(=O)O 218377297 DSXWVSCLAGTVAG-MRVPVSSYSA-N 223.232 0.009 10 10 BCCE N[C@@H](C(=O)O)c1ccc(C(=O)O)cc1O 220819193 AZMYDDNGKFLWTM-SSDOTTSWSA-N 211.173 0.175 10 10 BCCE Cc1nn(C)cc1C(=O)NCCN=[N+]=[N-] 227433675 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10 10 BCCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1cn[nH]c1 693496590 PJJQZQLPQYVPKD-LURJTMIESA-N 210.197 0.435 10 10 BCCE Oc1ccc(CN[C@@]23COC[C@@H]2C3)c(O)c1 718045556 BSGNCGRHHILQSV-CABZTGNLSA-N 221.256 0.976 10 10 BCCE Cn1cc(CNCc2c(O)cccc2F)nn1 1355346911 BXFYUWNDOAPDCJ-UHFFFAOYSA-N 236.250 0.950 10 10 BCCE [N-]=[N+]=N[C@@H](CO)c1cnc2[nH]nnc2c1 1535656944 AJWDFIMSNJVIIG-LURJTMIESA-N 205.181 0.697 10 10 BCCE Nc1ccc(CN[C@@H]2CO[C@@H]3COC[C@H]23)cc1 1905997216 CQSLPMKGDARWNK-JHJVBQTASA-N 234.299 0.772 10 10 BCCE C[C@H]1CCOC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912169368 JSRZYFYKYNXDPR-WPRPVWTQSA-N 241.295 0.557 10 10 BCCE C[C@@](NCCCN=[N+]=[N-])(C(=O)O)[C@H]1CCCN1 1912173345 LMOAQOQHYMKFFN-SCZZXKLOSA-N 241.295 0.872 10 10 BCCE CN(C)C(=O)C[S@@](=O)CCCCN=[N+]=[N-] 1912175286 KIYONGQMMZVICJ-HNNXBMFYSA-N 232.309 0.914 10 10 BCCE CO[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1O 1940567620 CAHNPVQXHXZPBK-GZMMTYOYSA-N 238.287 0.371 10 10 BCCE Cc1ccc(O)c(CN[C@@H](CO)CCCO)c1 1942754229 XYIBVZKNEPQWGP-GFCCVEGCSA-N 239.315 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