smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccccc1CCNCc1ccccc1O 202917953 QDLCTSFOERZWSP-UHFFFAOYSA-N 243.306 2.430 10 1 BECF Cc1nc2cc(/N=N\N(C)C)ccc2[nH]1 18182107 VADKDILSAFKYEB-YPKPFQOOSA-N 203.249 2.432 10 1 BECF N=C(N)Nc1ccc(Oc2ccc(N)cc2)cc1 49033183 WKDSIPBWKFRZGJ-UHFFFAOYSA-N 242.282 2.366 10 1 BECF Cc1cc2c(o1)C(=O)c1ccccc1C2=O 26148457 XUZHFXXIFCAROU-UHFFFAOYSA-N 212.204 2.363 10 1 BECF biogenic CN(C)C[C@@H]1CCCc2c1ccc(O)c2O 29207863 QXIMLJZKBKQQJV-VIFPVBQESA-N 221.300 2.079 10 1 BECF Cc1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 169299110 WTMKDMMSUHFYCN-ZDMBXUJBSA-N 245.278 2.239 10 1 BECF CCCCC(=O)OCCc1ccc(O)c(O)c1 103253906 NFYWCXVCOIQABK-UHFFFAOYSA-N 238.283 2.374 10 1 BECF CC1=CC=CC2=S=C(c3ccccc3)C(=O)N12 377806013 XRHLPOPUYPBNCT-UHFFFAOYSA-N 241.315 2.386 10 1 BECF Cc1ccc(C(=O)C(=O)c2ccc(C)cn2)nc1 45498606 KDOCNQNCAMPOAI-UHFFFAOYSA-N 240.262 2.159 10 1 BECF N=C(N)Nc1ccc(Cc2ccc(N)cc2)cc1 49033564 BZFHPIGNLSAYJG-UHFFFAOYSA-N 240.310 2.165 10 1 BECF Cc1c(/[N+]([O-])=N/C#N)c(-c2ccco2)nn1C 71333547 LWHNMIXRDRNSNI-QINSGFPZSA-N 231.215 2.064 10 1 BECF CN=NNc1cccc2c(O)nccc12 1772582625 YNALTUQZBFINPG-UHFFFAOYSA-N 202.217 2.349 10 1 BECF CN(CCO)/N=N/c1ccccc1Cl 18118818 SRHPFERYCJDNHX-VAWYXSNFSA-N 213.668 2.263 10 1 BECF Oc1cc2[nH]c3cc(O)c(O)cc3c2cc1O 13737757 FDPROKUPPNAEQY-UHFFFAOYSA-N 231.207 2.144 10 1 BECF Cc1[nH]nc(-c2cccnc2)c1N=NN(C)C 263610431 WCVFHKQIIKJXTB-UHFFFAOYSA-N 230.275 2.340 10 1 BECF CCN(CC)[C@H](C)Cc1ccc(O)c(O)c1 169322897 XIMCFXBJLWOBQT-SNVBAGLBSA-N 223.316 2.371 10 1 BECF Oc1cc2cc[nH]c3ccnc(c1O)c23 103626113 VVEMRAGVDWUSQN-UHFFFAOYSA-N 200.197 2.127 10 1 BECF C/C=C/[C@H]1c2cc(O)c(O)cc2CCN1C 1772636620 JXNRIFSFNYFXKC-UFFNRZRYSA-N 219.284 2.203 10 1 BECF COc1ccc2c(c1)C(=O)c1ccoc1C2=O 14492401 WIFKOYIANVGHDF-UHFFFAOYSA-N 228.203 2.064 10 1 BECF NCCOc1ccc(Cc2ccc(N)cc2)cc1 473165314 BAPSVLRSTQCAHQ-UHFFFAOYSA-N 242.322 2.197 10 1 BECF Cc1c([C@H](N)N=O)c2ccccc2n1C 958577558 YZFSMXHJSDOZTN-LLVKDONJSA-N 203.245 2.210 10 1 BECF Cn1ccc2c(Oc3ccc(N)cc3)ncnc21 95552554 RPSAWIFXKAYNOR-UHFFFAOYSA-N 240.266 2.343 10 1 BECF Oc1cc2[nH]c3c(O)c(O)ccc3c2cc1O 3834105 GTXYGQOKJKLJHQ-UHFFFAOYSA-N 231.207 2.144 10 1 BECF Nc1cccc2c1-c1ccccc1C(=O)C2=O 1606489 GNQVNMOALCQXTO-UHFFFAOYSA-N 223.231 2.315 10 1 BECF Oc1cc2c(cc1O)CC(N1CCCCC1)C2 36295020 ZGODDNQOHHEDDH-UHFFFAOYSA-N 233.311 2.051 10 1 BECF [N-]=[N+]=C1c2ccccc2-c2cccc(N)c21 40568158 OQZSDNYRFGJKSI-UHFFFAOYSA-N 207.236 2.316 10 1 BECF COc1ccc2c(c1)CCN2CCCNC(C)C 1857538112 LEPWRLFOGAVVQH-UHFFFAOYSA-N 248.370 2.446 10 1 BECF Oc1ccc(CCc2ccc(O)c(O)c2O)cc1 28714142 GKANHXJCHWHGHJ-UHFFFAOYSA-N 246.262 2.294 10 1 BECF CCN1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1 71295769 YUCIKUCXHAQTDW-MFKMUULPSA-N 247.338 2.469 10 1 BECF CCCCCOC(=O)c1cc(O)c(O)c(O)c1 5973246 IIOADSXXVWNOSC-UHFFFAOYSA-N 240.255 2.150 10 1 BECF biogenic,in-vitro NC(=S)N=Nc1c(O)[nH]c2ccccc12 261152295 PEYNLAQGUNUQLY-UHFFFAOYSA-N 220.257 2.201 10 1 BECF CC(C)=CC[C@H]1C(=O)c2ccccc2C(=O)[C@@H]1O 2356663084 SIUGQQMOYSVTAT-SWLSCSKDSA-N 244.290 2.399 10 1 BECF CN1CC[C@@H]2CCc3cc(O)c(O)cc3[C@H]2C1 58648651 ZLYMIFTYLJNATC-CABZTGNLSA-N 233.311 2.079 10 1 BECF CC(=O)[C@]1(/N=N/c2ccc([N+](=O)[O-])cc2)N=C1C 103186837 SHMNJXDBFGZEHF-JKJHPVACSA-N 246.226 2.438 10 1 BECF CC1(C)C=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2O1 2356640636 KSTZCKLHDQOIJZ-BXUZGUMPSA-N 242.274 2.415 10 1 BECF Cc1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 169305918 RINMPOOTTDUKKJ-AUTRQRHGSA-N 245.278 2.239 10 1 BECF CCNC[C@H]1CCCc2cc(O)c(O)cc21 27883074 KJJFMQJWFCHZKM-SNVBAGLBSA-N 221.300 2.127 10 1 BECF CCc1cc2c(o1)C(=O)c1cccc(O)c1C2=O 15205332 NESNCFXDGWXJCJ-UHFFFAOYSA-N 242.230 2.323 10 1 BECF CCSC(=S)NCc1ccncc1 169327304 NGQINCQAGVZUOL-UHFFFAOYSA-N 212.343 2.209 10 1 BECF O=c1c2ccccc2oc2cc(O)c(O)cc12 15119034 PCVZOSVNSMRPQO-UHFFFAOYSA-N 228.203 2.357 10 1 BECF NC(=S)N=Nc1c(O)[nH]c2ccc(F)cc12 261165242 RSUWLJIANWBTGS-UHFFFAOYSA-N 238.247 2.340 10 1 BECF Oc1ccc(-c2cnc3ccccn23)cc1O 653845374 DRJWHDMORRXCAH-UHFFFAOYSA-N 226.235 2.413 10 1 BECF CCC=C1OC(=O)c2c1cc(O)c(O)c2C 2356695508 JRDMQQKXYDXSJG-UHFFFAOYSA-N 220.224 2.328 10 1 BECF NC(=S)/N=N\c1c(O)[nH]c2ccc(F)cc12 13132435 RSUWLJIANWBTGS-YPKPFQOOSA-N 238.247 2.340 10 1 BECF COc1ccc2c(c1)C(=O)c1occc1C2=O 14492406 NYLGBIPCPODKFO-UHFFFAOYSA-N 228.203 2.064 10 1 BECF CC1(C)C=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2O1 2356640638 KSTZCKLHDQOIJZ-SMDDNHRTSA-N 242.274 2.415 10 1 BECF COC(=O)c1cc(C(C)C)c(OC)c(O)c1O 238777081 DUSJKIGASUUXTE-UHFFFAOYSA-N 240.255 2.016 10 1 BECF CCc1ccnc2c1C(=O)c1ccccc1C2=O 27329069 VALOMJWQXIJEDD-UHFFFAOYSA-N 237.258 2.419 10 1 BECF N=C1N=NC(N)=C1/N=N/c1cccc(F)c1 14965679 AIXAGYBYDUOUGN-CNLUSAEGSA-N 218.195 2.480 10 1 BECF Cc1cc([C@H](C)[C@@H](C)O)c(C)c(O)c1O 2356805656 VIXQOHZQRKPUQF-VXNVDRBHSA-N 210.273 2.199 10 1 BECF CC[C@]1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O 73417829 HPGRHBUVEMOPFD-LBPRGKRZSA-N 244.254 2.305 10 1 BECF O=C(O)[C@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]12 105833232 LXSOGZGNQOAWFM-DXBFQKDVSA-N 233.242 2.364 10 1 BECF C=CC1=C(N)[C@@H](SC)NN=C1c1ccccc1 28655297 CLLDDXHLSGCRFN-CYBMUJFWSA-N 245.351 2.082 10 1 BECF Cc1ccc2c(c1)c(/N=N/C(N)=O)c(O)n2C 101477956 YAOFQGZJHMHBHX-BUHFOSPRSA-N 232.243 2.355 10 1 BECF Cc1cnc2c(c1)C(=O)c1ccccc1C2=O 28013647 DCGFZAUMBPWUPM-UHFFFAOYSA-N 223.231 2.165 10 1 BECF Cc1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 64576412 WTMKDMMSUHFYCN-IGJMFERPSA-N 245.278 2.239 10 1 BECF CC(=O)[C@@]1(/N=N/c2cccc(C(=O)O)c2)N=C1C 103189401 WGRFFTWOWVHXIY-XROPSADXSA-N 245.238 2.228 10 1 BECF O=c1oc2cc(O)ccc2c2c(O)c(O)ccc12 15214405 ROGCIIVCQYMMOJ-UHFFFAOYSA-N 244.202 2.063 10 1 BECF Oc1cc(C/N=N\c2ccccn2)cc(O)c1O 169721387 DFWIFTZBZOURBS-PFONDFGASA-N 245.238 2.482 10 1 BECF COc1cccc2c1N[C@H](CO)[C@@H]1CC=C[C@H]21 1911580026 YDLQDTNNGYGKAA-HOSYDEDBSA-N 231.295 2.141 10 1 BECF NC(=S)/N=N/c1c(O)[nH]c2ccc(F)cc12 100891267 RSUWLJIANWBTGS-BUHFOSPRSA-N 238.247 2.340 10 1 BECF CN1CCC[C@H]2Cc3cc(O)c(O)cc3[C@@H]21 299823017 CMNWERCMEQHPQT-ISVAXAHUSA-N 219.284 2.037 10 1 BECF Nc1n[nH]c(N)c1/N=N\c1ccc(F)cc1 102624768 PRKNLQAUWYHUKA-YPKPFQOOSA-N 220.211 2.129 10 1 BECF Oc1ccc(C/N=N\c2ccccn2)c(O)c1O 169721416 RTTWMCUAAUCGHU-PFONDFGASA-N 245.238 2.482 10 1 BECF C[n+]1c2ccccc2c(N)c2ccccc21 5438176 SQFZLHHJWJODCA-UHFFFAOYSA-O 209.272 2.400 10 1 BECF CC(C)=CCC1(O)C(=O)c2ccccc2C1=O 34181987 FDIGUUCEGIFTHD-UHFFFAOYSA-N 230.263 2.153 10 1 BECF Cc1cc([C@@H](C)[C@H](C)O)c(C)c(O)c1O 2356805654 VIXQOHZQRKPUQF-CBAPKCEASA-N 210.273 2.199 10 1 BECF Oc1ccc(Oc2ccc(O)c(O)c2)cc1O 64526426 OEJQEJBKJINOFJ-UHFFFAOYSA-N 234.207 2.301 10 1 BECF CN(C)C[C@@H]1CCCc2cc(O)c(O)cc21 27888215 QBRKSAWIGDQXSR-JTQLQIEISA-N 221.300 2.079 10 1 BECF COc1cc(O)c2c(c1)C[C@@H](C)N(C)[C@H]2C 1858754 RWFHGMGEKFBBEM-BDAKNGLRSA-N 221.300 2.338 10 1 BECF biogenic CC(=O)[C@@]1(/N=N/c2ccc(C(=O)O)cc2)N=C1C 103176372 UUKCTUAOAIJOSP-XROPSADXSA-N 245.238 2.228 10 1 BECF CCOCc1cc(O)c(O)c(Br)c1 40834241 WFJLHSXDWRSDQZ-UHFFFAOYSA-N 247.088 2.397 10 1 BECF [O-]/[N+](=N/O)N1[C@H]2CC[C@H]1c1ccccc12 103134305 DXOFBVMPGAKFOU-OPZDQODESA-N 205.217 2.145 10 1 BECF N[C@H](N=O)c1ccc(N2CCCCC2)cc1 957737302 XGHODCBLBPENKO-GFCCVEGCSA-N 219.288 2.401 10 1 BECF Oc1ccc(Cn2cc[nH]c2=S)cc1O 13776326 HODJWVPARHDNHO-UHFFFAOYSA-N 222.269 2.005 10 1 BECF C[C@H](Cc1ccc(N)cc1)n1ccnc1 28465315 UMIJCQZWIPWUPE-SNVBAGLBSA-N 201.273 2.269 10 1 BECF CN1CC[C@H]2CCc3cc(O)c(O)cc3[C@@H]2C1 27555963 ZLYMIFTYLJNATC-BXKDBHETSA-N 233.311 2.079 10 1 BECF COCC(=O)/N=N/c1c(O)[nH]c2ccccc12 101487645 IMXNYAVLGQSQTI-BUHFOSPRSA-N 233.227 2.130 10 1 BECF CN1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@@H]21 27554460 AOVXJZKPIOGYFW-PWSUYJOCSA-N 233.311 2.222 10 1 BECF COc1ccc2c(c1)-c1nnc(C)cc1C2=O 38218873 XSAAXKYPHJXQGS-UHFFFAOYSA-N 226.235 2.005 10 1 BECF CC(C)NC[C@@H]1CCc2c1ccc(O)c2O 29210995 FDHQCFVIUFBAKN-VIFPVBQESA-N 221.300 2.126 10 1 BECF Oc1cc2ncn(-c3ccccc3)c2cc1O 13798317 FUGNZKDWKNTIQF-UHFFFAOYSA-N 226.235 2.437 10 1 BECF COc1cc(O)cc(-c2ccc(O)c(O)c2)c1 149341900 HJLYFNCCMQXANZ-UHFFFAOYSA-N 232.235 2.479 10 1 BECF CN1CCC[C@@H]2Cc3cc(O)c(O)cc3[C@@H]21 299823014 CMNWERCMEQHPQT-AMIZOPFISA-N 219.284 2.037 10 1 BECF Cc1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 62241706 RINMPOOTTDUKKJ-YGOYTEALSA-N 245.278 2.239 10 1 BECF O=C1c2c(O)cccc2C(=O)[C@@H]2C=CC=C(O)[C@@H]12 1772613375 PFXZPDDGFPHQNE-HQJQHLMTSA-N 242.230 2.015 10 1 BECF O=C(Cc1ccc(O)cc1)c1ccc(O)c(O)c1 28714130 NQAHFWYZPRKZGH-UHFFFAOYSA-N 244.246 2.229 10 1 BECF COc1ccc2c(c1)C(=O)c1ccccc1C2=O 14442973 APLQXUAECQNQFE-UHFFFAOYSA-N 238.242 2.471 10 1 BECF biogenic,in-vitro Cc1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 169305917 RINMPOOTTDUKKJ-PTRXPTGYSA-N 245.278 2.239 10 1 BECF [N-]=[N+]=C1c2ccccc2-c2c(N)cccc21 40568118 OTECSHSVNJPQLT-UHFFFAOYSA-N 207.236 2.316 10 1 BECF CN1CCC[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 27556169 AOVXJZKPIOGYFW-ZYHUDNBSSA-N 233.311 2.222 10 1 BECF CC(C)(O)C(=O)N=Nc1c(O)[nH]c2ccccc12 299813439 MLNNMNOOJPNTDZ-UHFFFAOYSA-N 247.254 2.255 10 1 BECF Oc1ccc2c(ncn2-c2ccccc2)c1O 3832355 SMKKNSYFQFENDV-UHFFFAOYSA-N 226.235 2.437 10 1 BECF Oc1ccccc1CN=c1ccc2cc[nH]c2[nH]1 621430414 VTKCMPGDKQXCOQ-UHFFFAOYSA-N 239.278 2.303 10 1 BECF O=c1c2cc(O)ccc2oc2ccc(O)c(O)c12 14821901 FJZHMKVDVCWZKT-UHFFFAOYSA-N 244.202 2.063 10 1 BECF CC(=O)Oc1cc(C)c(O)c(O)c1C(C)C 238755556 LUQKEEYCYFXGGE-UHFFFAOYSA-N 224.256 2.455 10 1 BECF Cc1ccc2c(c1)C(=O)c1nc(C)ccc1C2=O 1648911 SVLXQOQGBMKLGA-UHFFFAOYSA-N 237.258 2.474 10 1 BECF CCc1noc2c1C(=O)c1sccc1C2=O 1857592199 WFPMZBSIJOEXHE-UHFFFAOYSA-N 233.248 2.074 10 1 BECF CC(C)(O)C(=O)/N=N\c1c(O)[nH]c2ccccc12 13130106 MLNNMNOOJPNTDZ-PFONDFGASA-N 247.254 2.255 10 1 BECF O=c1c2ccccc2oc2cc(O)c(O)c(O)c12 14821855 BXDRLDKJTGJUFO-UHFFFAOYSA-N 244.202 2.063 10 1 BECF COc1c(Cc2ccc(O)cc2)ccc(O)c1O 205293050 KDVDACVIRWAIHJ-UHFFFAOYSA-N 246.262 2.403 10 1 BECF C[C@@H](Cc1ccc(N)cc1)n1ccnc1 28465310 UMIJCQZWIPWUPE-JTQLQIEISA-N 201.273 2.269 10 1 BECF CC(C)(O)C(=O)/N=N/c1c(O)[nH]c2ccccc12 101753292 MLNNMNOOJPNTDZ-CCEZHUSRSA-N 247.254 2.255 10 1 BECF CN1CCC[C@@H]2c3ccc(O)c(O)c3CC[C@@H]21 104957747 SWFUCNOWUPBIGO-PWSUYJOCSA-N 233.311 2.222 10 1 BECF Cc1cc(C)c2c(/N=N\N(C)C)[nH]nc2n1 13110657 JMNXSSAHFLUAIV-PFONDFGASA-N 218.264 2.135 10 1 BECF Cc1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 253961424 WTMKDMMSUHFYCN-VYUIOLGVSA-N 245.278 2.239 10 1 BECF CC(C)CNCc1c(O)ccc2ccc(=O)oc12 13674211 ACZKCYZJXQFNPK-UHFFFAOYSA-N 247.294 2.244 10 1 BECF Cc1cc2c(cc1C)C(=O)c1ncccc1C2=O 1646971 JNVRQZLSSYDUTG-UHFFFAOYSA-N 237.258 2.474 10 1 BECF N=C(N)/N=[N+](\O)Cc1c(Cl)cccc1Cl 71927967 ZCEQEFGQJAWCEK-UHFFFAOYSA-N 248.093 2.241 10 1 BECF CC/C=C1\OC(=O)c2c1cc(O)c(O)c2C 72179241 JRDMQQKXYDXSJG-WTKPLQERSA-N 220.224 2.328 10 1 BECF in-vitro O=C(O)[C@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]12 195305764 LXSOGZGNQOAWFM-VMAXQDLPSA-N 233.242 2.364 10 1 BECF Oc1ccc(N=Nc2cc(O)nc(O)n2)cc1 263610490 WFCXSZSLXQJFDD-UHFFFAOYSA-N 232.199 2.009 10 1 BECF CC(=O)[C@]1(/N=N/c2cccc(C(=O)O)c2)N=C1C 103189403 WGRFFTWOWVHXIY-TZFAWSOVSA-N 245.238 2.228 10 1 BECF CC(=O)/N=N/c1[nH]c(N)c2ccccc12 17819615 BWCZULKQDWRIKN-BUHFOSPRSA-N 202.217 2.380 10 1 BECF CCCN(C)/N=N/c1ccccc1C(N)=O 18042067 SZFSOBYKAQPKMW-BUHFOSPRSA-N 220.276 2.126 10 1 BECF O=C(O)[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]12 100828056 WRJCENKZISEXPF-QRTLGDNMSA-N 215.252 2.225 10 1 BECF Oc1cc2cccc(Br)c2c(O)n1 957571181 RVFRSYYAFFLELH-UHFFFAOYSA-N 240.056 2.409 10 1 BECF CC1(C)C=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2O1 238782375 KSTZCKLHDQOIJZ-RISCZKNCSA-N 242.274 2.415 10 1 BECF CC[N+]1(CC)CCN(c2ccc(OC)cc2)CC1 653788934 DDSGXMKVEQISKV-UHFFFAOYSA-N 249.378 2.372 10 1 BECF COc1cc(O)c2c(c1)C[C@H](C)[N+](C)(C)[C@H]2C 5848990 AZAIYNWEFAQYGL-UWVGGRQHSA-O 236.335 2.483 10 1 BECF biogenic O=c1cccc(/C=C\c2ccc(O)c(O)c2)o1 85611736 QCRKNGUJNLYFRV-XQRVVYSFSA-N 230.219 2.221 10 1 BECF Cc1c(C(=O)O)sc2cc(O)c(O)cc12 84732954 VLRACFLLFIANHE-UHFFFAOYSA-N 224.237 2.319 10 1 BECF Cc1cc([C@@H](C)[C@@H](C)O)c(C)c(O)c1O 2356805655 VIXQOHZQRKPUQF-IONNQARKSA-N 210.273 2.199 10 1 BECF NC[C@@H](c1ccccc1)c1ccc(O)c(O)c1 29550290 PFLZQNCGIABCJF-LBPRGKRZSA-N 229.279 2.188 10 1 BECF Cc1c(O)cnc2c1C(=O)c1ccccc1-2 238761023 NXDKVXVMXMSWAG-UHFFFAOYSA-N 211.220 2.307 10 1 BECF O=C1NC(=S)/C(=C/c2ccncc2)S1 95554465 URJAQOHIAKIVRY-ALCCZGGFSA-N 222.294 2.206 10 1 BECF O=c1nccc(/N=N/Cc2ccccc2)[nH]1 169693074 FZMRUQIPSBOHPV-FYWRMAATSA-N 214.228 2.054 10 1 BECF CC(=O)C(=O)c1cc2c(cn1)[nH]c1ccccc12 103282749 QTXFAPKIWSLQEA-UHFFFAOYSA-N 238.246 2.488 10 1 BECF O=c1c2cc(O)ccc2oc2c(O)c(O)ccc12 14822061 OFPXJNOLPRCFAJ-UHFFFAOYSA-N 244.202 2.063 10 1 BECF CC(C)=CC[C@H]1C(=O)c2ccccc2C(=O)[C@H]1O 2356663085 SIUGQQMOYSVTAT-WFASDCNBSA-N 244.290 2.399 10 1 BECF Oc1cccc([C@@H](O)Nc2ccccc2)c1O 896159 QNFFPPFWSLEYPQ-CYBMUJFWSA-N 231.251 2.201 10 1 BECF biogenic O=C(O)[C@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]12 4110447 LXSOGZGNQOAWFM-FDOIEUKUSA-N 233.242 2.364 10 1 BECF Cc1occ2c1C(=O)c1c(O)cccc1C2=O 14490609 GBXTYRYFKWXLAP-UHFFFAOYSA-N 228.203 2.069 10 1 BECF COCc1cc(O)c(O)c(Br)c1 40872883 WNRMLKGLNSWHRX-UHFFFAOYSA-N 233.061 2.007 10 1 BECF Nc1n[nH]c(N)c1/N=N/c1cccc(F)c1 13132513 IIMNZOCCIUNMSH-BUHFOSPRSA-N 220.211 2.129 10 1 BECF O=Cc1cc2c(s1)C(=O)c1ccccc1C2=O 1772593284 AUPMYQUHGZEAIJ-UHFFFAOYSA-N 242.255 2.336 10 1 BECF CCOP(=O)(OCC)N(C)/N=N\C 17142728 BARCMKNJTPZIIK-FPLPWBNLSA-N 209.186 2.096 10 1 BECF CC1=Cc2oc3cc(O)c(O)cc3c(=O)c2CO1 238784614 MMMHCJBWWHOBSS-UHFFFAOYSA-N 246.218 2.095 10 1 BECF COc1cc(O)c2c(c1)C[C@@H](C)[N+](C)(C)[C@@H]2C 1858755 AZAIYNWEFAQYGL-NXEZZACHSA-O 236.335 2.483 10 1 BECF biogenic Cc1ccc(C2=S=C3C=CC=CN3C2=O)cc1 377806001 HYPGSRCPWZEPJQ-UHFFFAOYSA-N 241.315 2.304 10 1 BECF N=C(N)c1ccc(COc2ccc(N)cc2)cc1 96910535 OBYZIOPZMHWDOG-UHFFFAOYSA-N 241.294 2.132 10 1 BECF N=C1N=NC(N)=C1/N=N/c1cccc(C(=O)O)c1 14965698 PIUSHRUXZPMNPD-CNLUSAEGSA-N 244.214 2.039 10 1 BECF in-vivo Cn1c(O)c(N=NC(N)=S)c2ccccc21 377817461 TTZUCVNWOZLIGL-UHFFFAOYSA-N 234.284 2.211 10 1 BECF CC1(C)C=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]2O1 2356640637 KSTZCKLHDQOIJZ-FZMZJTMJSA-N 242.274 2.415 10 1 BECF O=C1c2ccsc2C(=O)c2c(O)cccc21 299834010 QNJMNVFDLKRPOF-UHFFFAOYSA-N 230.244 2.229 10 1 BECF NC(=S)/N=N\c1c(O)[nH]c2ccccc12 102659076 PEYNLAQGUNUQLY-SEYXRHQNSA-N 220.257 2.201 10 1 BECF CC(=O)[C@]1(/N=N/c2ccc(C(=O)O)cc2)N=C1C 103176374 UUKCTUAOAIJOSP-TZFAWSOVSA-N 245.238 2.228 10 1 BECF O=c1c2ccc(O)cc2oc2c(O)c(O)ccc12 14822083 NEOPEBVNAOKVMT-UHFFFAOYSA-N 244.202 2.063 10 1 BECF CC(=O)/N=N\c1[nH]c(N)c2ccccc12 102651394 BWCZULKQDWRIKN-YPKPFQOOSA-N 202.217 2.380 10 1 BECF CC(=O)C[C@@H](O)/C=C/c1ccc(N(C)C)cc1 29469113 WROVZQVBUZKYAT-MRZGDXHCSA-N 233.311 2.106 10 1 BECF Oc1cc2c(cc1O)C(c1ccco1)=NCC2 1857766024 MPIZJISFGAZXLS-UHFFFAOYSA-N 229.235 2.084 10 1 BECF Nc1ncnc(N)c1/N=N\c1ccccc1 18192839 SNBUOLJXURTGNE-NXVVXOECSA-N 214.232 2.056 10 1 BECF O=c1nncc(/N=N/C=C/Cc2ccccc2)[nH]1 169693299 VQOANCSJVJYOHQ-MMDJDJTISA-N 241.254 2.005 10 1 BECF Cc1nc2c(o1)-c1ccccc1C(=O)C2=O 584625960 SJZIYWSASQMCKJ-UHFFFAOYSA-N 213.192 2.029 10 1 BECF C=C/[N+]([O-])=N/CCCCCCCCO 1857598076 XEJFAQQFSLPGIE-QXMHVHEDSA-N 200.282 2.425 10 1 BECF Cc1c([C@@H](N)N=O)c2ccccc2n1C 958577567 YZFSMXHJSDOZTN-NSHDSACASA-N 203.245 2.210 10 1 BECF CN1CCO[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 27561851 DRJWBVXPWDSRDR-UKRRQHHQSA-N 242.322 2.106 10 1 BECF Oc1cc(O)c(Br)c(Cl)c1O 95561083 XOGXJOSGMCZPFM-UHFFFAOYSA-N 239.452 2.219 10 1 BECF COC(=O)c1cc(O)c(O)c(CC=C(C)C)c1 40973727 ZVMALUVLYJRPEZ-UHFFFAOYSA-N 236.267 2.393 10 1 BECF in-vitro COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 13632928 UZSOIZZSGQKUTA-KWBADKCTSA-N 245.278 2.234 10 1 BECF Oc1ccc(CCc2ccc(O)c(O)c2)cc1O 14991 FYULQBSQDOYPJQ-UHFFFAOYSA-N 246.262 2.294 10 1 BECF N[C@H](Cc1ccc(F)cc1)c1ccc(O)cc1O 45498062 JKYYKTSSAPCINU-CYBMUJFWSA-N 247.269 2.479 10 1 BECF CN(C)[C@H]1C[C@H]2C[C@@H]1c1cc(O)c(O)cc12 27196607 LJBAPOGRQBYOPW-ONOSFVFSSA-N 219.284 2.003 10 1 BECF COc1c[nH]c(=NCc2ccccc2O)c(C)c1 621431193 CFSLPBBUUQRNOZ-UHFFFAOYSA-N 244.294 2.138 10 1 BECF COc1cc(Br)cc(CN=O)c1O 957572234 SRHMAJZONURSFW-UHFFFAOYSA-N 246.060 2.430 10 1 BECF CCN(CC)C[C@@H]1CCc2c1ccc(O)c2O 29209064 GZWKMVRLWNTOER-JTQLQIEISA-N 235.327 2.469 10 1 BECF O=C1c2cccc(O)c2C(=O)[C@H]2C(O)=CC=C[C@@H]12 1772613376 PFXZPDDGFPHQNE-RDDDGLTNSA-N 242.230 2.015 10 1 BECF [N-]=[N+]=NCC(=O)N1C(=O)CCC12CCCCC2 653709718 RIAVNXHKDKTYMK-UHFFFAOYSA-N 236.275 2.149 10 1 BECF O=C1CCN(/N=N\c2cccc(Cl)c2)N1 100402999 VSZYPZVSQQFQIS-QBFSEMIESA-N 224.651 2.076 10 1 BECF O=C1c2cc3ccccn3c2C(=O)c2cccnc21 40393139 QEDFPABJJYZYHS-UHFFFAOYSA-N 248.241 2.110 10 1 BECF O=c1oc2ccccc2c2cc(O)c(O)cc12 25964066 RNGUQXOVPRCDIT-UHFFFAOYSA-N 228.203 2.357 10 1 BECF Cc1ccc(C)n1-c1cccc(-n2cnnn2)c1 29060581 JFVPLLSBGRBXBF-UHFFFAOYSA-N 239.282 2.070 10 1 BECF O=C(c1ccccc1)c1cc(O)c(O)cc1O 1511287 LRSWZNHYSJTYTC-UHFFFAOYSA-N 230.219 2.034 10 1 BECF biogenic O=C(O)c1ccc(/N=N\N2CCCC2)cc1 13118693 KOFQQOBPZPKFMN-SEYXRHQNSA-N 219.244 2.479 10 1 BECF Cc1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 62241702 RINMPOOTTDUKKJ-KBVBSXBZSA-N 245.278 2.239 10 1 BECF N=C1N=NC(N)=C1/N=N/c1ccc(F)cc1 14965687 HALOLQDLOLYIOW-CNLUSAEGSA-N 218.195 2.480 10 1 BECF in-vivo CC(=O)[C@@]1(/N=N/c2cccc([N+](=O)[O-])c2)N=C1C 103176380 VBMBWTGDRXAKGT-CLMBFONXSA-N 246.226 2.438 10 1 BECF CCCc1noc2c1C(=O)c1sccc1C2=O 1857538984 KBPJNLJZHWFCFQ-UHFFFAOYSA-N 247.275 2.464 10 1 BECF CC(C)NC[C@H]1CCc2cc(O)c(O)cc21 29207587 IPMXJGINCCLBSU-SNVBAGLBSA-N 221.300 2.126 10 1 BECF Cc1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 253961420 WTMKDMMSUHFYCN-JRKPZEMJSA-N 245.278 2.239 10 1 BECF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@H]1O 2356663083 SIUGQQMOYSVTAT-IUODEOHRSA-N 244.290 2.399 10 1 BECF COC(=O)/N=N/C(=O)Nc1ccc(OC)cc1 38998382 UXWHSTAROCLJON-OUKQBFOZSA-N 237.215 2.446 10 1 BECF CN(C)C[C@H]1CCCc2cc(O)c(O)cc21 27888222 QBRKSAWIGDQXSR-SNVBAGLBSA-N 221.300 2.079 10 1 BECF Cc1cc(O)c2c(c1)N1CCCCN1C2 2356868211 WZLAPILQCUUXOO-UHFFFAOYSA-N 204.273 2.031 10 1 BECF Cc1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 62241698 RINMPOOTTDUKKJ-VDDIYKPWSA-N 245.278 2.239 10 1 BECF CN(C)[C@H]1C[C@H]2C[C@H]1c1cc(O)c(O)cc12 253640357 LJBAPOGRQBYOPW-GGVZMXCHSA-N 219.284 2.003 10 1 BECF N=C(N)Nc1ccc(Nc2ccc(N)cc2)cc1 49231547 ZKCOUZMBPHTHSX-UHFFFAOYSA-N 241.298 2.318 10 1 BECF COCC(=O)/N=N\c1c(O)[nH]c2ccccc12 13130147 IMXNYAVLGQSQTI-YPKPFQOOSA-N 233.227 2.130 10 1 BECF O=C1c2cccc(O)c2C(=O)[C@H]2C(O)=CC=C[C@H]12 1772613377 PFXZPDDGFPHQNE-WRWORJQWSA-N 242.230 2.015 10 1 BECF Oc1cc(O)c2c(c1)CCc1cc(O)c(O)cc1-2 14650922 NIGUICNPKCJLJQ-UHFFFAOYSA-N 244.246 2.275 10 1 BECF endogenous,in-man CCCOC(=O)C=Cc1ccc(O)c(O)c1 2356763223 BPJXSLLUNRTWHM-UHFFFAOYSA-N 222.240 2.064 10 1 BECF Cc1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169305919 RINMPOOTTDUKKJ-LNLATYFQSA-N 245.278 2.239 10 1 BECF CN(C)[C@@H]1C[C@H]2C[C@H]1c1cc(O)c(O)cc12 253640359 LJBAPOGRQBYOPW-PPKCKEKNSA-N 219.284 2.003 10 1 BECF CN(C)[C@H]1C[C@@H]2C[C@@H]1c1cc(O)c(O)cc12 100710732 LJBAPOGRQBYOPW-XROYCOCOSA-N 219.284 2.003 10 1 BECF NC[C@@H](Cc1ccccc1)c1ccc(O)c(O)c1 26488180 XHFQGJPSFDFHAT-CYBMUJFWSA-N 243.306 2.383 10 1 BECF Nc1n[nH]c(N)c1/N=N\c1ccccc1F 102760305 MHCSFMGVRGGIQV-YPKPFQOOSA-N 220.211 2.129 10 1 BECF Oc1ccc([C@H]2CNCc3ccccc32)cc1O 13826415 CMPLLVRADIMHPM-CYBMUJFWSA-N 241.290 2.333 10 1 BECF CN1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1 253819986 ZLYMIFTYLJNATC-SKDRFNHKSA-N 233.311 2.079 10 1 BECF COc1cc(O)c2c(c1)C[C@H](C)N(C)[C@@H]2C 5848988 RWFHGMGEKFBBEM-DTWKUNHWSA-N 221.300 2.338 10 1 BECF biogenic Oc1c(N=Nc2nnn[nH]2)ccc2ccccc12 263591666 WTOMASUNAPBPMR-UHFFFAOYSA-N 240.226 2.474 10 1 BECF Cc1ccc2n1Cc1cnnn1-c1ccccc1-2 61924179 COGGKEZWYPGDEY-UHFFFAOYSA-N 236.278 2.406 10 3 BECF Cc1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169305920 RINMPOOTTDUKKJ-SBMIAAHKSA-N 245.278 2.239 10 1 BECF CN1CCC[C@H]2c3cc(O)c(O)cc3CC[C@@H]21 27554458 AOVXJZKPIOGYFW-JQWIXIFHSA-N 233.311 2.222 10 1 BECF Cc1ccc2c(n1)C(=O)c1ccccc1C2=O 1646973 RPBFXOPZCXVTNR-UHFFFAOYSA-N 223.231 2.165 10 1 BECF Oc1cccc([C@H](O)Nc2ccccc2)c1O 896161 QNFFPPFWSLEYPQ-ZDUSSCGKSA-N 231.251 2.201 10 1 BECF biogenic CN(C)[C@@H]1C[C@@H]2C[C@@H]1c1cc(O)c(O)cc12 100710727 LJBAPOGRQBYOPW-WHGOUJPWSA-N 219.284 2.003 10 1 BECF CCNC[C@@H]1CCCc2cc(O)c(O)cc21 27883067 KJJFMQJWFCHZKM-JTQLQIEISA-N 221.300 2.127 10 1 BECF CCNC[C@H]1CCCc2c1ccc(O)c2O 29207579 KHRKCQJGDMFZPA-SECBINFHSA-N 221.300 2.127 10 1 BECF Cc1ccc2c(c1)c(N=NC(N)=O)c(O)n2C 253921252 YAOFQGZJHMHBHX-UHFFFAOYSA-N 232.243 2.355 10 1 BECF O=C1c2cccc(O)c2C(=O)[C@@H]2C(O)=CC=C[C@H]12 1772613287 PFXZPDDGFPHQNE-CPCISQLKSA-N 242.230 2.015 10 1 BECF CCN(CC)[C@@H](C)Cc1ccc(O)c(O)c1 169322895 XIMCFXBJLWOBQT-JTQLQIEISA-N 223.316 2.371 10 1 BECF N[C@H]1Cc2cc(O)c(O)cc2-c2ccccc21 169322327 VLDQYOSVSLSGCV-LBPRGKRZSA-N 227.263 2.321 10 1 BECF CC(=O)c1cc([C@@H](C)[C@@H](C)O)c(C)c(O)c1O 2356794912 IFEDSIVJGZVVOS-POYBYMJQSA-N 238.283 2.093 10 1 BECF N[C@@H](N=O)c1ccc(N2CCCCC2)cc1 957737303 XGHODCBLBPENKO-LBPRGKRZSA-N 219.288 2.401 10 1 BECF CC(=O)N[C@@H](C)c1cc(F)c2cccnc2c1O 36388633 JUNGHNBYJUACCY-ZETCQYMHSA-N 248.257 2.277 10 3 BECF CN1CCC[C@H]2Cc3cc(O)c(O)cc3[C@H]21 299823021 CMNWERCMEQHPQT-SDBXPKJASA-N 219.284 2.037 10 1 BECF CC1=NN(C(=O)CF)[C@@H](c2ccccc2O)C1 653747693 OFJYTRDQYZMGFR-SNVBAGLBSA-N 236.246 2.011 10 1 BECF Cc1cc(Br)c(O)c2c1CC[C@@H]2N 26165121 PSLJRZNOTDLGFY-QMMMGPOBSA-N 242.116 2.409 10 1 BECF O=NCc1cc(Br)ccc1O 198717423 VLZQUZQMSKYRTI-UHFFFAOYSA-N 216.034 2.421 10 1 BECF CC(=O)c1cc([C@@H](C)[C@H](C)O)c(C)c(O)c1O 2356794914 IFEDSIVJGZVVOS-XPUUQOCRSA-N 238.283 2.093 10 1 BECF CCCCCOC(=O)c1ccc(O)c(O)c1 27312662 WAZRGRCJULPBMR-UHFFFAOYSA-N 224.256 2.445 10 1 BECF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@H]1O 238756045 SIUGQQMOYSVTAT-DOMZBBRYSA-N 244.290 2.399 10 1 BECF COc1cccc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@@H]21 118075742 JIYQEGVUIRJANB-IYYTYJHQSA-N 245.278 2.234 10 1 BECF CCCC(=O)OC(CN=[N+]=[N-])CN=[N+]=[N-] 2178320076 FKPKAXGEMTWLBL-UHFFFAOYSA-N 212.213 2.319 10 1 BECF CC(=O)/N=N/C(=O)c1ccccc1/N=N/N(C)C 169323189 PQZLTWAPSSPPJZ-QUMQEAAQSA-N 247.258 2.386 10 1 BECF Clc1ccc(C/N=N/c2nnn[nH]2)cc1 169689086 FUWXLGBRUVATJD-ZHACJKMWSA-N 222.639 2.137 10 1 BECF N=C1C(c2ccccc2)=S=C2C=CC=CN12 377831917 YAMBCFSSQOFPKY-UHFFFAOYSA-N 226.304 2.447 10 1 BECF CC(=O)N=Nc1[nH]c(N)c2ccccc12 299813085 BWCZULKQDWRIKN-UHFFFAOYSA-N 202.217 2.380 10 1 BECF Oc1cc(O)cc(CCc2ccc(O)c(O)c2)c1 6091865 KTLRRKBJXAJHJD-UHFFFAOYSA-N 246.262 2.294 10 1 BECF biogenic O=c1oc2cc(O)c(O)cc2c2cc(F)ccc12 25963829 DYFXUXQNEFOUSN-UHFFFAOYSA-N 246.193 2.497 10 1 BECF CCNC(=O)c1ccc(C)c(/N=N/N(C)C)c1 18038477 FCEZAHIFFJLZFP-CCEZHUSRSA-N 234.303 2.305 10 1 BECF CC(C)NC[C@@H]1CCc2cc(O)c(O)cc21 29207583 IPMXJGINCCLBSU-JTQLQIEISA-N 221.300 2.126 10 1 BECF COc1cccc2c1N[C@H](CO)[C@H]1CC=C[C@@H]21 1911580028 YDLQDTNNGYGKAA-JFGNBEQYSA-N 231.295 2.141 10 1 BECF O=C(c1ccc(O)cc1)c1cccc(O)c1O 3978528 WQCSLQBRPJWOID-UHFFFAOYSA-N 230.219 2.034 10 1 BECF biogenic O=c1cc(-c2ccco2)oc2c(O)c(O)ccc12 1772602992 IIMOXPCAMRVURG-UHFFFAOYSA-N 244.202 2.464 10 1 BECF Cc1ccc2c(c1)c(/N=N\C(N)=O)c(O)n2C 13476007 YAOFQGZJHMHBHX-YPKPFQOOSA-N 232.243 2.355 10 1 BECF Cc1c(O)cnc2c1C(=O)c1cc(O)ccc1-2 13334958 OBNMHXVEGOIFRP-UHFFFAOYSA-N 227.219 2.013 10 1 BECF biogenic Cc1cnc2c(c1)C(=O)c1occ(C)c1C2=O 1857636628 DQICPFVPWPOBKT-UHFFFAOYSA-N 227.219 2.067 10 1 BECF CC(C)c1[nH]nc(O)c1Cc1ccc(N)cc1 95582839 KFPQCDQAZOPHCQ-UHFFFAOYSA-N 231.299 2.412 10 1 BECF COc1cccc2c1C(=O)c1ccoc1C2=O 26161315 LWDPQKHXWLFIKS-UHFFFAOYSA-N 228.203 2.064 10 1 BECF Cc1nn(C)c(C)c2cc([N+](=O)[O-])cc1-2 481535 AWZXFVMIUDFKMX-UHFFFAOYSA-N 205.217 2.050 10 1 BECF Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1 473124183 WSCNWLJTILDSLU-UHFFFAOYSA-N 232.235 2.484 10 1 BECF Cc1ccccc1/N=N\c1c(N)n[nH]c1N 13123992 BHSCLHDQTNDXDV-YPKPFQOOSA-N 216.248 2.298 10 1 BECF CC(=O)C[C@H](O)/C=C/c1ccc(N(C)C)cc1 29469110 WROVZQVBUZKYAT-VIIAAUOXSA-N 233.311 2.106 10 1 BECF Cc1nccc2c1C(=O)c1ccccc1C2=O 34224739 CWHBGROZDROZKL-UHFFFAOYSA-N 223.231 2.165 10 1 BECF CCc1cc2c(o1)C(=O)c1c(O)cccc1C2=O 34522258 UDWJSMGEPJAWNZ-UHFFFAOYSA-N 242.230 2.323 10 1 BECF Cc1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 62241700 RINMPOOTTDUKKJ-HOTUBEGUSA-N 245.278 2.239 10 1 BECF Oc1ccc([C@@H]2CNCc3ccccc32)cc1O 13826413 CMPLLVRADIMHPM-ZDUSSCGKSA-N 241.290 2.333 10 1 BECF C/C=C/[C@@H]1c2cc(O)c(O)cc2CCN1C 1772636619 JXNRIFSFNYFXKC-PGLGOXFNSA-N 219.284 2.203 10 1 BECF CCOC(=O)c1sc(SC(C)=O)cc1O 45354246 RJJJBZTUCSEENX-UHFFFAOYSA-N 246.309 2.269 10 1 BECF N=C(Cc1ccc(O)cc1)c1ccc(O)c(O)c1 40845862 AXXINAHNXPLCJB-UHFFFAOYSA-N 243.262 2.414 10 1 BECF CCn1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)c1 73168990 PCMHRVDYJZJHBG-VIFPVBQESA-N 235.247 2.144 10 1 BECF O=c1cccc(/C=C/c2ccc(O)c(O)c2)o1 238761796 QCRKNGUJNLYFRV-GQCTYLIASA-N 230.219 2.221 10 1 BECF N[C@@H]1Cc2cc(O)c(O)cc2-c2ccccc21 169322325 VLDQYOSVSLSGCV-GFCCVEGCSA-N 227.263 2.321 10 1 BECF CN(C)C[C@H]1CCCc2c1ccc(O)c2O 29207867 QXIMLJZKBKQQJV-SECBINFHSA-N 221.300 2.079 10 1 BECF Cc1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 64576410 WTMKDMMSUHFYCN-RWEMILLDSA-N 245.278 2.239 10 1 BECF COc1ccc(N2CC[N+]3(CCCC3)CC2)cc1 53014342 ALNFLVZCZDXKSI-UHFFFAOYSA-N 247.362 2.126 10 1 BECF NCCc1ccc(Cc2ccc(N)cc2)cc1 473170911 SNTRPZRSCSVHGO-UHFFFAOYSA-N 226.323 2.361 10 1 BECF CC[C@@]1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O 73417830 HPGRHBUVEMOPFD-GFCCVEGCSA-N 244.254 2.305 10 1 BECF Nc1ccc(-n2nncc2-c2ccco2)cc1 2482689 YEZVPFIMIOWAJG-UHFFFAOYSA-N 226.239 2.110 10 3 BECF COc1cccc2c1N[C@H](CO)[C@H]1CC=C[C@H]21 1911580027 YDLQDTNNGYGKAA-JBLDHEPKSA-N 231.295 2.141 10 1 BECF COc1cccc2cc(CC(C)=O)c(O)c(O)c12 2356866587 WGCOQMXYUCWIHL-UHFFFAOYSA-N 246.262 2.391 10 1 BECF Cc1cc(Br)c(O)c2c1CC[C@H]2N 26165125 PSLJRZNOTDLGFY-MRVPVSSYSA-N 242.116 2.409 10 1 BECF Nc1ccc(N=[S@]2(O)=CCCC2)cc1 957938808 YWKFMVWTHNRMMC-AWEZNQCLSA-N 210.302 2.307 10 1 BECF CC(=O)c1cc([C@H](C)[C@@H](C)O)c(C)c(O)c1O 2356794911 IFEDSIVJGZVVOS-HTRCEHHLSA-N 238.283 2.093 10 1 BECF Nc1cc2c(s1)C(=O)c1ccccc1C2=O 1772621452 VQYIBJUQZQBLRG-UHFFFAOYSA-N 229.260 2.106 10 1 BECF Cc1cnc2c(c1)C(=O)c1c(oc(C)c1C)C2=O 8727 QEWRLHVAKOFSQA-UHFFFAOYSA-N 241.246 2.375 10 1 BECF Cc1cc([C@H](C)[C@H](C)O)c(C)c(O)c1O 2356805653 VIXQOHZQRKPUQF-APPZFPTMSA-N 210.273 2.199 10 1 BECF Oc1cc2c(cc1O)[C@@]13C=CC=C1OC[C@@H](C2)C3 238789006 DHYQSPOFBOKOSU-VFZGTOFNSA-N 242.274 2.382 10 1 BECF Cc1cc(/C=C/c2ccc(O)c(O)c2)[nH]n1 299858564 DUIDHQKGCXCUTO-DUXPYHPUSA-N 216.240 2.300 10 1 BECF CCc1nsc2c1C(=O)c1ccccc1C2=O 1911582690 OJGUMPGJQDDQLD-UHFFFAOYSA-N 243.287 2.481 10 1 BECF NC[C@H](c1ccccc1)c1ccc(O)c(O)c1 29550294 PFLZQNCGIABCJF-GFCCVEGCSA-N 229.279 2.188 10 1 BECF CC(=O)[C@]1(/N=N/c2cccc([N+](=O)[O-])c2)N=C1C 103176384 VBMBWTGDRXAKGT-JKJHPVACSA-N 246.226 2.438 10 1 BECF CN1CCC[C@H]2c3cc(O)c(O)cc3CC[C@H]21 253683143 AOVXJZKPIOGYFW-CMPLNLGQSA-N 233.311 2.222 10 1 BECF COc1cc(/N=N/Cc2ccccc2O)ncn1 169694008 JNHRSJQCBZYMHA-FOCLMDBBSA-N 244.254 2.475 10 1 BECF CCCCCOC(=O)Cc1ccc(O)c(O)c1 1857566650 GGIOWXKPUXUIDB-UHFFFAOYSA-N 238.283 2.374 10 1 BECF Cc1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169299111 WTMKDMMSUHFYCN-KKFJDGPESA-N 245.278 2.239 10 1 BECF Cc1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 64576409 WTMKDMMSUHFYCN-MWODSPESSA-N 245.278 2.239 10 1 BECF C[n+]1cc2c(O)c(O)ccc2c2ccccc21 100411039 ZGYWKSWMSPRTAJ-UHFFFAOYSA-O 226.255 2.229 10 1 BECF O=C(Cc1ccccc1)C(=O)c1ccccc1O 198809073 YXNCZVIRTPTGDP-UHFFFAOYSA-N 240.258 2.387 10 1 BECF O=C1Cc2ccccc2N1Cc1ccccc1O 621430558 ZSRZKBRZYXWIBT-UHFFFAOYSA-N 239.274 2.482 10 1 BECF O=c1c2ccccc2oc2ccc(O)c(O)c12 13838734 XDBLKQQNHFWWHC-UHFFFAOYSA-N 228.203 2.357 10 1 BECF biogenic O=C1NC(=S)S/C1=C\Cc1ccccc1 40862916 AXEFNOIXCFPBMX-CLFYSBASSA-N 235.333 2.261 10 1 BECF Cc1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 64576408 WTMKDMMSUHFYCN-RVBZMBCESA-N 245.278 2.239 10 1 BECF Nc1n[nH]c(N)c1N=Nc1cccc(F)c1 261112946 IIMNZOCCIUNMSH-UHFFFAOYSA-N 220.211 2.129 10 1 BECF COc1cccc(/N=N\c2c(O)n[nH]c2N)c1 13116655 DREHMIDUIKYIHS-SEYXRHQNSA-N 233.231 2.122 10 1 BECF COc1cccc2c1N[C@H](CO)[C@@H]1CC=C[C@@H]21 1911580025 YDLQDTNNGYGKAA-CKYFFXLPSA-N 231.295 2.141 10 1 BECF CCNC[C@@H]1CCCc2c1ccc(O)c2O 29207575 KHRKCQJGDMFZPA-VIFPVBQESA-N 221.300 2.127 10 1 BECF COCC(=O)N=Nc1c(O)[nH]c2ccccc12 299813140 IMXNYAVLGQSQTI-UHFFFAOYSA-N 233.227 2.130 10 1 BECF Cc1ccc(C)n1-c1cc(O)cc(C(=O)O)c1 587926775 NPKVLFDENQWKEU-UHFFFAOYSA-N 231.251 2.498 10 1 BECF Nc1ccc(N=[S@@]2(O)=CCCC2)cc1 957938809 YWKFMVWTHNRMMC-CQSZACIVSA-N 210.302 2.307 10 1 BECF CC(=O)c1cc([C@H](C)[C@H](C)O)c(C)c(O)c1O 2356794913 IFEDSIVJGZVVOS-SVRRBLITSA-N 238.283 2.093 10 1 BECF CC(=O)c1cc2c(c(O)c1O)OC(C)(C)C=C2 13306063 HYVNJLOWZGQLGE-UHFFFAOYSA-N 234.251 2.485 10 1 BECF biogenic Nc1ccc(N=Nc2ccc(O)cc2)c(N)n1 4578729 WVPIAVNLNVZYDZ-UHFFFAOYSA-N 229.243 2.367 10 1 BECF CC(=O)[C@@]1(/N=N/c2ccc([N+](=O)[O-])cc2)N=C1C 103186835 SHMNJXDBFGZEHF-CLMBFONXSA-N 246.226 2.438 10 1 BECF Cc1ccnc2c1C(=O)c1ccccc1C2=O 6523333 GVRYUHXXENMGEV-UHFFFAOYSA-N 223.231 2.165 10 1 BECF biogenic NC[C@H](Cc1ccccc1)c1ccc(O)c(O)c1 26488184 XHFQGJPSFDFHAT-ZDUSSCGKSA-N 243.306 2.383 10 1 BECF COC(=O)c1sc2nc(C)c(F)cc2c1N 1857596165 NPMYTOVAYORUTM-UHFFFAOYSA-N 240.259 2.113 10 1 BECF O=c1c2cc(O)ccc2oc2cc(O)c(O)cc12 14822056 UEGGYHBZJXMZJI-UHFFFAOYSA-N 244.202 2.063 10 1 BECF CCOC(=O)c1ccc(/N=N\N(C)C)cc1 101424541 PDOLRHLZGYQIGP-SEYXRHQNSA-N 221.260 2.424 10 1 BECF Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O 13862817 UYLSKNZAXKMXKJ-UHFFFAOYSA-N 223.231 2.315 10 1 BECF O=C1c2ccccc2Cc2ccc(O)c(O)c21 13606491 VQTRJTVHFJIZMI-UHFFFAOYSA-N 226.231 2.233 10 1 BECF in-vivo CN1CC[C@@H]2CCc3cc(O)c(O)cc3[C@@H]2C1 27555961 ZLYMIFTYLJNATC-JOYOIKCWSA-N 233.311 2.079 10 1 BECF CCCC/C=C/[N+]([O-])=N[C@@H](C)[C@H](C)O 100305683 YSGFBXZSDXVSLM-IZPMOTALSA-N 200.282 2.422 10 1 BECF in-vitro CCN(CC)C[C@H]1CCc2c1ccc(O)c2O 29209068 GZWKMVRLWNTOER-SNVBAGLBSA-N 235.327 2.469 10 1 BECF CCOC(=O)C1=CCOc2cc(N(C)C)ccc21 5499651 ARGHQPUSDLVPAL-UHFFFAOYSA-N 247.294 2.092 10 1 BECF Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1 1857614312 WZOUIXVDWYEYCF-UHFFFAOYSA-N 243.266 2.462 10 1 BECF CC1=NNC(=O)/C1=C/c1c[nH]c2ccccc12 102906220 MBDYCIWVVQVJPF-IZZDOVSWSA-N 225.251 2.057 10 1 BECF CN(C)[C@@H]1C[C@H]2C[C@@H]1c1cc(O)c(O)cc12 27196602 LJBAPOGRQBYOPW-AVPPRXQKSA-N 219.284 2.003 10 1 BECF CSC(=S)NCc1c[nH]c2ncccc12 28866215 IALMZJUKXMWGQK-UHFFFAOYSA-N 237.353 2.300 10 1 BECF COc1ccc(N=Nc2c(N)nn(C)c2N)cc1 254017666 NWQQBZKPONFZBT-UHFFFAOYSA-N 246.274 2.009 10 1 BECF O=c1oc2c(O)c(O)ccc2c2cc(F)ccc12 25963782 DTDCPMLDXTXQEE-UHFFFAOYSA-N 246.193 2.497 10 1 BECF Cc1nsc2c1C(=O)c1ccccc1C2=O 1911582339 YFNKPMXPQUORLX-UHFFFAOYSA-N 229.260 2.227 10 1 BECF Cc1ccc(C(=S)c2nnns2)cc1 653764322 AAVIVDRJMSLTKL-UHFFFAOYSA-N 221.310 2.008 10 1 BECF Oc1c(/N=N/c2nn[nH]n2)ccc2ccccc12 6576417 WTOMASUNAPBPMR-OUKQBFOZSA-N 240.226 2.474 10 1 BECF COc1ccc(/N=N/C2=C(N)N=NC2=N)cc1 14965695 HQMQQMVQRLZIDD-XISQVIDCSA-N 230.231 2.350 10 1 BECF Cc1cccc(/N=N\c2c(N)n[nH]c2N)c1 13124234 QILCBTCFTLVVLN-YPKPFQOOSA-N 216.248 2.298 10 1 BECF CC(C)NC[C@H]1CCc2c1ccc(O)c2O 29210999 FDHQCFVIUFBAKN-SECBINFHSA-N 221.300 2.126 10 1 BECF COc1cnc2c(c1C)C(=O)c1cc(O)ccc1-2 13334959 ULCNJNHJPIWQCU-UHFFFAOYSA-N 241.246 2.316 10 1 BECF biogenic C=CC1=C(N)[C@H](SC)NN=C1c1ccccc1 28655294 CLLDDXHLSGCRFN-ZDUSSCGKSA-N 245.351 2.082 10 1 BECF NCCc1ccc(O)c(O)c1-c1ccccc1 29559415 DAKLNHHLHPIOPS-UHFFFAOYSA-N 229.279 2.266 10 1 BECF in-vivo CC1=NN(C(=O)CF)[C@H](c2ccccc2O)C1 653747692 OFJYTRDQYZMGFR-JTQLQIEISA-N 236.246 2.011 10 1 BECF Nc1n[nH]c(N)c1/N=N\c1cccc(F)c1 102469744 IIMNZOCCIUNMSH-YPKPFQOOSA-N 220.211 2.129 10 1 BECF CN1CCC[C@@H]2Cc3cc(O)c(O)cc3[C@H]21 299823019 CMNWERCMEQHPQT-OQPBUACISA-N 219.284 2.037 10 1 BECF N[C@@H](Cc1ccc(F)cc1)c1ccc(O)cc1O 45498059 JKYYKTSSAPCINU-ZDUSSCGKSA-N 247.269 2.479 10 1 BECF CC(=O)N[C@H](C)c1cc(F)c2cccnc2c1O 36380900 JUNGHNBYJUACCY-SSDOTTSWSA-N 248.257 2.277 10 3 BECF CCCCOC(=O)CCc1ccc(O)c(O)c1 103253901 FTTPHDMAQAAUAF-UHFFFAOYSA-N 238.283 2.374 10 1 BECF Cc1ccc(O)c2c1C(=O)c1ccccc1C2=O 6522373 XKZOFQRVODTSCM-UHFFFAOYSA-N 238.242 2.476 10 1 BECF CN1CCC[C@H]2c3ccc(O)c(O)c3CC[C@@H]21 5966457 SWFUCNOWUPBIGO-JQWIXIFHSA-N 233.311 2.222 10 1 BECF Nc1cccc2c1C(=O)C(=O)c1ccccc1-2 13862816 IPCICROLQBDSRE-UHFFFAOYSA-N 223.231 2.315 10 1 BECF Cc1cncc2c1C(=O)c1ccccc1C2=O 96934749 QDQFTJXBAXXTQJ-UHFFFAOYSA-N 223.231 2.165 10 1 BECF Cc1ccc2c(c1)C(=O)c1ccc(C)nc1C2=O 1648912 ZEAIDLOIWYDULE-UHFFFAOYSA-N 237.258 2.474 10 1 BECF