smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@](O)(C(=O)O)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1 31168253 RUEPXZDDWQCITK-HTDMEAKDSA-N 312.274 -0.149 10 40 DBCB biogenic,in-vitro NC(=O)COc1ccccc1C=C1C(=O)NC(=S)NC1=O 409218341 IEKKKBWCTIRTMU-UHFFFAOYSA-N 305.315 -0.535 10 40 DBCB O=S(=O)(CS(=O)(=O)[n+]1ccccc1)[n+]1ccccc1 1703751 FWGVXOWUXXYLLA-UHFFFAOYSA-N 300.361 -0.725 10 40 DBCB COc1ccc(N2C(=O)NC(=O)/C(=C/NCCO)C2=O)cc1 408536061 VNVZCQBYSUKTLI-FLIBITNWSA-N 305.290 -0.256 10 40 DBCB Oc1ccccc1CN[C@H]1CO[C@@H](CN2CCOCC2)[C@@H]1O 514289611 WRVCJGJNVVPFKX-CWRNSKLLSA-N 308.378 -0.058 10 40 DBCB biogenic,in-vitro Nc1ccc(CN(C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1 575419934 BAEHRLPLAQZGNA-KBPBESRZSA-N 314.407 -0.389 10 40 DBCB COC(=O)[C@H](Cc1ccccc1)NC=C1C(=O)NC(=O)NC1=O 8486373 WDJYAKRUMPNWTB-NSHDSACASA-N 317.301 -0.390 10 40 DBCB Nc1ccc(CN(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575423176 YUEXUINXYAVYOR-NEPJUHHUSA-N 314.363 -0.687 10 40 DBCB Cc1ccc(S(=O)(=O)NNC=C2C(=O)NC(=O)NC2=O)cc1 6585463 CYEXPFMZMZIBJB-UHFFFAOYSA-N 324.318 -0.972 10 40 DBCB COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1O)NN2C 19171831 VZZAEMZUBFUCHC-AGIUHOORSA-N 305.334 -0.117 10 40 DBCB Cc1ccc(N2C(=O)/C(=C/NNCCO)C(=O)N=C2O)cc1 6922879 SOKMCZYECWZAQX-DHZHZOJOSA-N 304.306 -0.247 10 40 DBCB C[C@H](O)CNC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 47675148 XDQNVGKNJSIZGH-NSHDSACASA-N 306.366 -0.197 10 40 DBCB COc1ccc(N2CCN(CC(N)=O)[C@H](C(=O)N(C)C)C2)cc1 72361523 KWYPTOVQEZXOGN-AWEZNQCLSA-N 320.393 -0.241 10 40 DBCB CCOC(=O)CNC(=O)C(=[N+]=[N-])C(=O)COc1ccccc1 4934720 HSZQPVSTXONKLV-UHFFFAOYSA-N 305.290 -0.015 10 40 DBCB CN1CCN(N/C=C2\C(=O)N(C3CC3)C(=S)N=C2O)CC1 2383523 DBJQCOIPMYNONL-NTMALXAHSA-N 309.395 -0.132 10 40 DBCB Cc1nc2c(n1CCO)C(=O)c1nc(C)n(CCO)c1C2=O 1691619 WPROJKLMYNYLKW-UHFFFAOYSA-N 304.306 -0.544 10 40 DBCB Cn1c(=O)n(C)c2cc(NC=C3C(=O)NC(=O)NC3=O)ccc21 408532011 LSTHMERMKWTFGE-UHFFFAOYSA-N 315.289 -0.461 10 40 DBCB CN1CCN(C[C@@H]2OC[C@H](NCc3ccccc3O)[C@H]2O)CC1 514289436 UEPWZVGKXBJMAZ-BHYGNILZSA-N 321.421 -0.143 10 40 DBCB biogenic,in-vitro CC(=O)N[C@H](CS/N=N/c1[nH]cnc1C(N)=O)C(=O)O 16948710 PLDBJHKVWNUEQW-QMHYPJCPSA-N 300.300 -0.170 10 40 DBCB O=C1NC(=O)C(=CNc2cccc3c2C(=O)NC3=O)C(=O)N1 8514777 RWCOLTHQQJQXSX-UHFFFAOYSA-N 300.230 -0.768 10 40 DBCB COc1ccc(N(CCC(N)=O)CC(=O)N2CCNC2=O)cc1 12527550 OJWHHINCSQORRY-UHFFFAOYSA-N 320.349 -0.071 10 40 DBCB Nc1ccc(CN(C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1 575419936 BAEHRLPLAQZGNA-UONOGXRCSA-N 314.407 -0.389 10 40 DBCB O=C1NC(=S)NC(=O)C1=CNc1ccc(O)c(C(=O)O)c1 18996556 WRQNPSVCOMYTLM-UHFFFAOYSA-N 307.287 -0.083 10 40 DBCB Nc1ccc(CN(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1 575419935 BAEHRLPLAQZGNA-KGLIPLIRSA-N 314.407 -0.389 10 40 DBCB CC(=O)N[C@@H](CS/N=N/c1[nH]cnc1C(N)=O)C(=O)O 8565729 PLDBJHKVWNUEQW-HTZUBCSESA-N 300.300 -0.170 10 40 DBCB COc1ccc(N2C(=O)/C(=C/NNCCO)C(=O)N=C2O)cc1 17196302 GVJVODKVWRNWCW-DHZHZOJOSA-N 320.305 -0.547 10 40 DBCB Nc1ccc(CN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420119 FZYZFRPQXRUDKD-OLZOCXBDSA-N 300.380 -0.779 10 40 DBCB CC1(C)OC(=O)C(=CN[C@H](CCC(N)=O)C(=O)O)C(=O)O1 100716079 OVILRNJNRZYEMX-SSDOTTSWSA-N 300.267 -0.985 10 40 DBCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C/NCCO 5928719 KKAMQQZFYVMVML-DHZHZOJOSA-N 305.359 -0.104 10 40 DBCB COCCN[C@@H]1[C@@H](O)[C@H](NCc2ccccc2O)[C@H]2CO[C@@H]1O2 96533300 BKKXRALZPBYRKC-DGXTUMSLSA-N 324.377 -0.429 10 40 DBCB biogenic,in-vitro O=C1NC(=S)NC(=O)C1=CNc1ccc(C(=O)O)c(O)c1 95471022 UYGXUXUACVSQMK-UHFFFAOYSA-N 307.287 -0.083 10 40 DBCB O=C1NC(=O)C(=CNc2ccc(C(=O)O)cc2[N+](=O)[O-])C(=O)N1 16384557 LCCDTRHNPNIZOH-UHFFFAOYSA-N 320.217 -0.045 10 40 DBCB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@@H]2C(=O)NC(=O)[C@@H]21 217538390 RGJVZKZVBZRDRG-ZSJJWGNYSA-N 306.274 -0.526 10 40 DBCB CN1C(=O)C(=CNc2ncnc3[nH]cnc23)C(=O)N(C)C1=O 5626182 YCKDDLBWZDSLPO-UHFFFAOYSA-N 301.266 -0.301 10 40 DBCB biogenic Nc1ccc(CN(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420120 FZYZFRPQXRUDKD-QWHCGFSZSA-N 300.380 -0.779 10 40 DBCB CCCCN1C(=O)NC(=O)/C(=C\NCCN2CCNCC2)C1=O 100792051 VGHGDZFMLHXUHN-VAWYXSNFSA-N 323.397 -0.756 10 40 DBCB Nc1ccc(CN(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420121 FZYZFRPQXRUDKD-STQMWFEESA-N 300.380 -0.779 10 40 DBCB CN(C)c1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 12562040 PJZMIQMLQXKJSH-UHFFFAOYSA-N 302.334 -0.081 10 40 DBCB Cc1cc(C)nc(NNC=C2C(=O)N(C)C(=O)N(C)C2=O)n1 8491513 BBPBGYRFCUUKON-UHFFFAOYSA-N 304.310 -0.056 10 40 DBCB CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O 77264544 GRFJTTGZYWWIHE-RTXFEEFZSA-N 316.379 -0.841 10 40 DBCB biogenic,in-vitro C[C@](O)(C(=O)O)[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1 31168242 RUEPXZDDWQCITK-IVDNPREJSA-N 312.274 -0.149 10 40 DBCB biogenic,in-vitro Nc1nc(N)c(/N=N\c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1 18067025 VGUWZPDGJHXELG-MSUUIHNZSA-N 309.311 -0.003 10 40 DBCB CN(C)CCN/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 2248617 FLGOZIPTMRHKHH-FLIBITNWSA-N 306.322 -0.107 10 40 DBCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\NCCN1CCOCC1 102550000 DSALUWLYJHWBLY-LUAWRHEFSA-N 324.406 -0.391 10 40 DBCB CCN1C(=O)/C(=C\NCCN2CCNCC2)C(=O)N=C1S 103110688 BCZAIIOCIYFSQD-KTKRTIGZSA-N 311.411 -0.960 10 40 DBCB CN1CCN(N/C=C2/C(=O)N(C3CC3)C(=S)N=C2O)CC1 20328834 DBJQCOIPMYNONL-CSKARUKUSA-N 309.395 -0.132 10 40 DBCB O=C1N=C(O)N(CCc2ccccc2)C(=O)/C1=C/NNCCO 6927345 WSFRVESJSUKILF-ZRDIBKRKSA-N 318.333 -0.518 10 40 DBCB O=C1CN(C=C2C(=O)NC(=S)NC2=O)c2ccccc2N1 16524940 NKVSBOZUMLLMKJ-UHFFFAOYSA-N 302.315 -0.140 10 40 DBCB CN(C)S(=O)(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 19203385 PKSBMYZHKUGLPZ-MRVPVSSYSA-N 304.324 -0.511 10 40 DBCB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@@H]2C(=O)NC(=O)[C@H]21 247968375 RGJVZKZVBZRDRG-PUXPGTEJSA-N 306.274 -0.526 10 40 DBCB CS(=O)(=O)c1n[nH]c(/N=N/c2nc(S(C)(=O)=O)n[nH]2)n1 100378609 CCBSYZMNZNFSSP-MDZDMXLPSA-N 320.316 -0.855 10 40 DBCB CN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)N(C)C1=O 408962308 HAKWPMTUSPJULU-UHFFFAOYSA-N 317.301 -0.016 10 40 DBCB COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1O)NN2C 19171828 VZZAEMZUBFUCHC-UPJWGTAASA-N 305.334 -0.117 10 40 DBCB Oc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cncn2)[C@H]1O 952844672 GSDWNXXZRSEFAL-ARILJUKYSA-N 318.333 -0.201 10 40 DBCB biogenic,in-vitro C[C@H](C(=O)NCC(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O 5722758 KEUXITPEOZLALN-MRVPVSSYSA-N 300.274 -0.343 10 40 DBCB Nc1[nH]c(=O)[nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1 17747692 WFAXTQUMPXIYGS-FOCLMDBBSA-N 310.295 -0.292 10 40 DBCB NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409220311 WPMTWBOLDPCORJ-UHFFFAOYSA-N 323.692 -0.047 10 40 DBCB Nc1ccc(CN(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575423179 YUEXUINXYAVYOR-NWDGAFQWSA-N 314.363 -0.687 10 40 DBCB CC(=O)N[C@H]1[C@H](OCCCCN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O 4024255 CNQOXOXHLJUCIJ-LZQZFOIKSA-N 318.330 -0.963 10 40 DBCB biogenic C[C@@](O)(C(=O)O)[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1 31168245 RUEPXZDDWQCITK-ACIZLPDLSA-N 312.274 -0.149 10 40 DBCB biogenic,in-vitro O=C1NC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)N1 6574870 DZSACWQKXPIBCX-UHFFFAOYSA-N 304.331 -0.099 10 40 DBCB Nc1ccc(CN(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575423180 YUEXUINXYAVYOR-RYUDHWBXSA-N 314.363 -0.687 10 40 DBCB COc1ccc(N(CC(=O)O)CC(=O)NN2CCOCC2)cc1 34926472 BPJFTHJMOORUDJ-UHFFFAOYSA-N 323.349 -0.050 10 40 DBCB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@H]2C(=O)NC(=O)[C@@H]21 15277031 RGJVZKZVBZRDRG-KSQLKPTDSA-N 306.274 -0.526 10 40 DBCB COCCN1C(=O)[C@@H]2[C@@H](c3ccccc3O)NN(C)[C@H]2C1=O 102801866 VZZAEMZUBFUCHC-JHJVBQTASA-N 305.334 -0.117 10 40 DBCB COCCN1C(=O)[C@@H]2[C@@H](C1=O)N(C)N[C@H]2c1ccccc1O 138566456 VZZAEMZUBFUCHC-AVGNSLFASA-N 305.334 -0.117 10 40 DBCB CCCCN1C(=O)NC(=O)/C(=C/NCCN2CCOCC2)C1=O 19363189 WCABBVMPVWSIQK-QXMHVHEDSA-N 324.381 -0.329 10 40 DBCB COc1ccc(N2CCN(CC(N)=O)[C@@H](C(=O)N(C)C)C2)cc1 72361524 KWYPTOVQEZXOGN-CQSZACIVSA-N 320.393 -0.241 10 40 DBCB CN(C)CCN/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 100768963 FLGOZIPTMRHKHH-DHZHZOJOSA-N 306.322 -0.107 10 40 DBCB COCC(=O)NC[C@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O 77264134 JISJKOYKFNQURX-KYOSRNDESA-N 310.350 -0.627 10 40 DBCB biogenic,in-vitro O=C1N=C(O)N(Cc2ccccc2)C(=O)/C1=C/NNCCO 9066106 URMOSBWKEKQXJK-DHZHZOJOSA-N 304.306 -0.560 10 40 DBCB NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 409224416 LHIHEKSCUIUXKV-UHFFFAOYSA-N 323.692 -0.047 10 40 DBCB CCCCN1C(=O)NC(=O)/C(=C/NCCN2CCNCC2)C1=O 19359483 VGHGDZFMLHXUHN-QXMHVHEDSA-N 323.397 -0.756 10 40 DBCB O=C1NC(=S)NC(=O)C1=CNCc1ccc2c(c1)OCO2 101082431 ZXMXHPKFBIFNQT-UHFFFAOYSA-N 305.315 -0.080 10 40 DBCB CCN1C(=O)/C(=C/NCCN2CCOCC2)C(=O)NC1=S 19995566 KQLQHYGCWFEWJY-MDZDMXLPSA-N 312.395 -0.945 10 40 DBCB Cn1c(=O)c2nc(/N=N/Nc3nncs3)[nH]c2n(C)c1=O 5542987 RLEDPDGHGINYPS-UHFFFAOYSA-N 307.299 -0.077 10 40 DBCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)[nH]c1=O 5603848 SHJZJCUDXKZRMO-TWGQIWQCSA-N 314.257 -0.770 10 40 DBCB CNC(=O)[C@H]1CN(c2ccc(OC)cc2)CCN1CC(N)=O 72361522 AOUOEWJRUWMVHH-CYBMUJFWSA-N 306.366 -0.583 10 40 DBCB CN(C)S(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 19203382 PKSBMYZHKUGLPZ-QMMMGPOBSA-N 304.324 -0.511 10 40 DBCB Nc1ccc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 4293719 VNOKYKUWHBAQKG-SJHCENCUSA-N 301.364 -0.698 10 40 DBCB in-vitro CN1CCN(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1 26441440 RRMVLPYRJZIHQG-BENRWUELSA-N 318.333 -0.011 10 40 DBCB CN1C(=O)C(=CNCCCn2ccnc2)C(=O)N(C)C1=S 6553947 MQXRGSTYGSQGTL-UHFFFAOYSA-N 307.379 -0.038 10 40 DBCB CCCCN1C(=O)/C(=C/NN2CCN(C)CC2)C(=O)N=C1O 20288906 ITELGGRFLUILPW-ZHACJKMWSA-N 309.370 -0.295 10 40 DBCB COC(=O)[C@@H](Cc1ccccc1)NC=C1C(=O)NC(=O)NC1=O 8486265 WDJYAKRUMPNWTB-LLVKDONJSA-N 317.301 -0.390 10 40 DBCB O=C1NC(=S)NC(=O)C1=CNN1C(=O)c2ccccc2C1=O 6646010 PCFGTXNQSFPJGK-UHFFFAOYSA-N 316.298 -0.798 10 40 DBCB CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S 4723767 FCMVNMIXBYCWKF-UXBLZVDNSA-N 319.342 -0.193 10 40 DBCB CCOC(=O)[C@@H](C(=N)C(=N)[C@@H](C(=O)O)C(=O)OCC)C(=O)O 104367695 CLDPRRAXLFNGLB-WDSKDSINSA-N 316.266 -0.446 10 40 DBCB CN(C)c1ccc(CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 40513979 VILSUXPAEGVYRE-UHFFFAOYSA-N 316.361 -0.071 10 40 DBCB CCN1C(=O)C(=CNCCNC(C)=O)C(=O)N(CC)C1=S 8484603 BQABNPNPJONIRW-UHFFFAOYSA-N 312.395 -0.409 10 40 DBCB OCc1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccccc2O)nn1 1549161871 OSKRLYDPOOPUEB-RRFJBIMHSA-N 320.349 -0.606 10 40 DBCB CS(=O)(=O)c1n[nH]c(/N=N\c2nc(S(C)(=O)=O)n[nH]2)n1 17194995 CCBSYZMNZNFSSP-KTKRTIGZSA-N 320.316 -0.855 10 40 DBCB C[C@](O)(C(=O)O)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1 31168249 RUEPXZDDWQCITK-UOLJMSNASA-N 312.274 -0.149 10 40 DBCB biogenic,in-vitro COC(=O)Cc1csc(NC=C2C(=O)NC(=O)NC2=O)n1 8486241 BWWAHFAZAOCREC-UHFFFAOYSA-N 310.291 -0.480 10 40 DBCB NC(=O)c1c(N)[n+]([O-])c2cc(N3CCCCC3)c(F)cc2[n+]1[O-] 4745404 ILZRZAVCBQYAAB-UHFFFAOYSA-N 321.312 -0.083 10 40 DBCB C[C@@H](O)CNC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 47675150 XDQNVGKNJSIZGH-LLVKDONJSA-N 306.366 -0.197 10 40 DBCB NC(=O)COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1 409218397 FEGWIEAEUCMGLA-UHFFFAOYSA-N 305.315 -0.535 10 40 DBCB Cn1c(=O)c2nc(/N=N/N3CCC[C@@H]3C(=O)O)[nH]c2n(C)c1=O 26730610 GSEIXUXUCLUYKD-HILUOXKISA-N 321.297 -0.492 10 40 DBCB O=C1NC(=O)C(=CN[C@H](Cc2ccc(O)cc2)C(=O)O)C(=O)N1 20572255 JEGVDVFVLWXFJL-SNVBAGLBSA-N 319.273 -0.773 10 40 DBCB COCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)NN(C)[C@H]2C1=O 101130263 VZZAEMZUBFUCHC-FRRDWIJNSA-N 305.334 -0.117 10 40 DBCB COCCN1C(=O)[C@H]2[C@@H](c3ccccc3O)NN(C)[C@H]2C1=O 102801864 VZZAEMZUBFUCHC-YNEHKIRRSA-N 305.334 -0.117 10 40 DBCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C\NCCO 101087612 KKAMQQZFYVMVML-FLIBITNWSA-N 305.359 -0.104 10 40 DBCB O=C1NC(=O)C(=CNCCNc2ccccc2[N+](=O)[O-])C(=O)N1 25571512 AZFOQGPMIJANGE-UHFFFAOYSA-N 319.277 -0.154 10 40 DBCB CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 72280052 GNVMGSZOQFRCQT-NSHDSACASA-N 318.377 -0.236 10 40 DBCB CCN1C(=O)/C(=C\NCCN2CCOCC2)C(=O)N=C1S 103095349 KQLQHYGCWFEWJY-KTKRTIGZSA-N 312.395 -0.533 10 40 DBCB CC[C@@H](C)N1C(=O)/C(=C/NN2CCOCC2)C(=O)NC1=S 6554853 VYSRZROOEYRJJH-NCXKZPMSSA-N 312.395 -0.251 10 40 DBCB NC(=O)c1c(N)[n+]([O-])c2cc(N3CCCC3)c(F)cc2[n+]1[O-] 4745406 PEKVVUMFOWLLND-UHFFFAOYSA-N 307.285 -0.473 10 40 DBCB CC[C@H](C)N1C(=O)/C(=C/NN2CCOCC2)C(=O)NC1=S 6555289 VYSRZROOEYRJJH-WKMLFNHBSA-N 312.395 -0.251 10 40 DBCB Cn1c(=O)c2[nH]c(/N=N\N3CCC[C@H]3C(=O)O)nc2n(C)c1=O 100744296 GSEIXUXUCLUYKD-UHBIUHSUSA-N 321.297 -0.492 10 40 DBCB Nc1ccc(CN(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420118 FZYZFRPQXRUDKD-CHWSQXEVSA-N 300.380 -0.779 10 40 DBCB Cn1c(=O)n(C)c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21 3152799 NVDQWBUTKNFVMH-UHFFFAOYSA-N 300.274 -0.374 10 40 DBCB CN(C)/N=N/c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H]1CO1 100693284 ZAGBBAZLBVIKEV-VWUPPOFCSA-N 307.314 -0.607 10 40 DBCB CCN1C(=O)C(=CNN2CCOCC2)C(=O)N(CC)C1=S 5909183 UWYIRQCRCLKVPP-UHFFFAOYSA-N 312.395 -0.297 10 40 DBCB Nc1ccc(CN(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575423181 YUEXUINXYAVYOR-VXGBXAGGSA-N 314.363 -0.687 10 40 DBCB O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O 33832846 SWGKAHCIOQPKFW-RQVXFDJMSA-N 312.230 -0.447 10 40 DBCB endogenous,in-man C[C@@H](C(=O)NCC(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O 17247739 KEUXITPEOZLALN-QMMMGPOBSA-N 300.274 -0.343 10 40 DBCB CCCCN1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O 100792733 WCABBVMPVWSIQK-VAWYXSNFSA-N 324.381 -0.329 10 40 DBCB CCc1ccc(N2C(=O)NC(=O)/C(=C\NNCCO)C2=O)cc1 9108659 WQPDWRPUIOOWKG-FMIVXFBMSA-N 318.333 -0.198 10 40 DBCB CC1(C)OC(=O)C(=CN[C@@H](CCC(N)=O)C(=O)O)C(=O)O1 100716075 OVILRNJNRZYEMX-ZETCQYMHSA-N 300.267 -0.985 10 40 DBCB Nc1ccc(CN(C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1 575419937 BAEHRLPLAQZGNA-ZIAGYGMSSA-N 314.407 -0.389 10 40 DBCB O=C1NC(=O)C(=CN[C@@H](Cc2ccc(O)cc2)C(=O)O)C(=O)N1 20572257 JEGVDVFVLWXFJL-JTQLQIEISA-N 319.273 -0.773 10 40 DBCB COCCN1C(=O)[C@H]2[C@@H](c3ccccc3O)NN(C)[C@@H]2C1=O 102801860 VZZAEMZUBFUCHC-XQQFMLRXSA-N 305.334 -0.117 10 40 DBCB COc1ccc(-n2nnnc2CNS(=O)(=O)N(C)C)cc1 10594525 OLYAXEKCCDCBJW-UHFFFAOYSA-N 312.355 -0.433 10 40 DBCB Nc1nc(=O)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(N)[nH]1 100366223 VGUWZPDGJHXELG-WUKNDPDISA-N 309.311 -0.003 10 40 DBCB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@H]2C(=O)NC(=O)[C@H]21 247968377 RGJVZKZVBZRDRG-RZGXBDKHSA-N 306.274 -0.526 10 40 DBCB O=C1c2ccccc2C(=O)C1(S(=O)(=O)O)S(=O)(=O)O 3171916 TYEYJDBWIOLLIJ-UHFFFAOYSA-N 306.273 -0.463 10 40 DBCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\NCCN1CCNCC1 102606328 IBYISYNOLZTLRC-LUAWRHEFSA-N 323.422 -0.818 10 40 DBCB O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NCCN1CCOCC1 20330777 DSALUWLYJHWBLY-PKNBQFBNSA-N 324.406 -0.802 10 40 DBCB Cn1c(=O)c2[nH]c(/N=N/N3CCC[C@H]3C(=O)O)nc2n(C)c1=O 8740292 GSEIXUXUCLUYKD-BOIHVVGYSA-N 321.297 -0.492 10 40 DBCB Cc1cc(C(=O)NC(C(N)=O)C(N)=O)c(C)n1-c1ccccn1 71805640 XRSISFIDOHWMSJ-UHFFFAOYSA-N 315.333 -0.442 10 40 DBCB CN1C(=O)C(=CNCCN2CCOCC2)C(=O)N(C)C1=S 20025283 ZQLKSGRBTDFIOC-UHFFFAOYSA-N 312.395 -0.993 10 40 DBCB CN(C)/N=N/c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H]1CO1 100693287 ZAGBBAZLBVIKEV-BZSVUZHVSA-N 307.314 -0.607 10 40 DBCB CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 72280053 GNVMGSZOQFRCQT-LLVKDONJSA-N 318.377 -0.236 10 40 DBCB CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1CC(N)=O 72361521 AOUOEWJRUWMVHH-ZDUSSCGKSA-N 306.366 -0.583 10 40 DBCB