smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nnsc1C(=O)NNS(=O)(=O)c1ccc(F)cc1 1406762 RTPVNMPYVCBERT-UHFFFAOYSA-N 316.339 0.609 50 50 DCGA C[C@@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1cncc(F)c1 2325873819 UVXVYZHLCPWEKQ-SECBINFHSA-N 316.097 0.204 50 50 DCGA Cn1nccc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 6633089 SIRUZDGQTXTKKS-UHFFFAOYSA-N 320.334 0.960 50 50 DCGA COc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1OC 206782 NDEIMBHXJUOJDB-VIZOYTHASA-N 321.362 0.830 50 50 DCGA O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744431 GKKHBQIYCGKFAR-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccncc2)C1 13320811 RXIZLKRXBUTNHE-BVTUPMQUSA-N 324.406 0.593 50 50 DCGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)N2CCCC2)c1 2892329 YBYWRRDPPOXYNV-MHWRWJLKSA-N 305.334 0.776 50 50 DCGA COc1cccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)c1O 100371606 BKGJQOWUFHIBRQ-MIJYTDESSA-N 304.306 0.363 50 50 DCGA O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 34138 OEKCOMMZYKHADM-UHFFFAOYSA-N 322.302 0.613 50 50 DCGA C[C@H](C(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O)C1CC1 585087680 GOLGDQYSHDPPFN-QPUJVOFHSA-N 315.329 0.631 50 50 DCGA COc1ccc(CN2CCC[C@@H](C(=O)NN)C2)c(OC)c1OC 4950062 KORYWSWCJJDJBD-GFCCVEGCSA-N 323.393 0.914 50 50 DCGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cnccn1 381517 RQCYNGSZJCYVNW-REZTVBANSA-N 300.274 0.704 50 50 DCGA O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 113382 WIIZWVCIJKGZOK-RKDXNWHRSA-N 323.132 0.909 50 50 DCGA biogenic,fda O=C([C@@H](F)Cl)N1CC[C@@H](n2nnnc2C(F)(F)F)C1 2325898682 SMVBSGBEWBXBQL-RFZPGFLSSA-N 301.631 1.000 50 50 DCGA CCOCCCNC(=S)NNC(=O)CCn1ccc(C)n1 2794466 HIWFJKMYOBSEPC-UHFFFAOYSA-N 313.427 0.504 50 50 DCGA CCOc1cccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)c1O 100609519 OCESZXYIZXWRQU-AXLKIAQESA-N 318.333 0.753 50 50 DCGA NC(=O)[C@H](Br)CC[C@@H](Br)C(N)=O 1714998 PLSXNAQEJOGNKQ-QWWZWVQMSA-N 301.966 0.264 50 50 DCGA O=C(CCl)NCCNC(=O)c1c(O)c2ccccc2oc1=O 4947632 NWSXTTLDAZJPOL-UHFFFAOYSA-N 324.720 0.583 50 50 DCGA Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1B(O)O 1772572509 CASSXLDWZZBIDU-UHFFFAOYSA-N 321.186 0.127 50 50 DCGA Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 523936 AJMFDRSAANGVGI-AWEZNQCLSA-N 324.340 0.957 50 50 DCGA O=C(CN1CCSCC1)N/N=C/c1ccc2c(c1)OCO2 22780071 MCKBULCYRRDMNF-OVCLIPMQSA-N 307.375 0.914 50 50 DCGA COc1ccc(CNC(=O)c2ccc(F)c(B(O)O)c2)cc1 169744226 JCGKNENWASPGMI-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 5581389 JMVPVUBZNBAWIN-CAOOACKPSA-N 315.285 0.744 50 50 DCGA Cc1cc(C(=O)NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c(C)o1 253417587 DPHRMVDCLBPERM-SNVBAGLBSA-N 314.363 0.482 50 50 DCGA CN1CCC2(CC1)C(C#N)=C(N)Oc1c2oc(CO)cc1=O 4433161 JGKNCOVPIVFJQI-UHFFFAOYSA-N 303.318 0.182 50 50 DCGA C=C(CO)[C@]12O[C@@H]1[C@]1(C)C(=CC2=O)[C@H](Cl)[C@H](O)[C@@H](O)[C@H]1C 2332918068 DPAOBSGLKRVLOU-QKSJOVDMSA-N 314.765 0.167 50 50 DCGA C[C@@H](Cl)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1875380169 HCPILRMQHZHNNP-RKDXNWHRSA-N 303.767 0.965 50 50 DCGA N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O 71746281 BPWATVWOHQZVRP-NSHDSACASA-N 310.785 0.856 50 50 DCGA in-vitro O=C(NNC(=O)[C@@H]1CCCS1)c1cncc(N2CCCC2)n1 868963421 QIJHKDRFTDVRFD-NSHDSACASA-N 321.406 0.733 50 50 DCGA O=S(=O)(O)CCCSSCCCS(=O)(=O)O 5113847 LMPMFQXUJXPWSL-UHFFFAOYSA-N 310.440 0.924 50 50 DCGA in-vitro O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1 239173636 OIQGZWBQLJOIID-WUHRBBMRSA-N 300.314 0.971 50 50 DCGA CN1CCN(CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CC1 291529 UCLBKZSNTGTRHN-FOWTUZBSSA-N 319.365 0.682 50 50 DCGA COc1ccc(CNC(=O)c2cccc(B(O)O)c2)c(OC)c1 203647445 NTASUCWONUQWHH-UHFFFAOYSA-N 315.134 0.314 50 50 DCGA O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H](F)Cl 2325897959 NXQNUBNCEXPZGP-SSDOTTSWSA-N 304.796 0.016 50 50 DCGA Cn1nnc2cc(S(=O)(=O)NNC(=O)C3CCCC3)ccc21 583650818 CAYDXKKAIQMEGX-UHFFFAOYSA-N 323.378 0.468 50 50 DCGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccncc2)C1 13320813 RXIZLKRXBUTNHE-RKPNYOAGSA-N 324.406 0.593 50 50 DCGA O=C(Cc1ccc2c(n1)OCCO2)NNC(=O)c1ccccn1 2325743005 PLUPQSAHBFSYDS-UHFFFAOYSA-N 314.301 0.252 50 50 DCGA COc1ccccc1NC(=O)C(=O)NN=C1CCN(C)CC1 55124262 JONHCTDDRWDRGO-UHFFFAOYSA-N 304.350 0.832 50 50 DCGA O=C(O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](I)[C@@H]1C[C@@H]32 239164991 NHGLFZIQXAGSGN-MAFUWASYSA-N 308.071 0.682 50 50 DCGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1875366857 NENNJDMJZUEJSB-ZCFIWIBFSA-N 302.739 0.978 50 50 DCGA CCCOc1ccc(N2C(=O)C[C@@H](NNC(N)=O)C2=O)cc1 2820232 QVNQCJOUCGKSKK-LLVKDONJSA-N 306.322 0.280 50 50 DCGA C[C@@H](Cl)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1875380166 HCPILRMQHZHNNP-BDAKNGLRSA-N 303.767 0.965 50 50 DCGA CSCCNC(=S)NNC(=O)c1occ2c1CCOC2 376065420 GSJQJYGUSCQVSJ-UHFFFAOYSA-N 315.420 0.824 50 50 DCGA CS(=O)(=O)NNC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 1394594 VTHKSXKAFXFQIN-ZDUSSCGKSA-N 306.343 0.724 50 50 DCGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 2871971 NDFJMCDDHUIFAJ-UHFFFAOYSA-N 321.333 0.907 50 50 DCGA Cc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)c([N+](=O)[O-])c1 169744318 RWJXPEPTYSEAOO-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA CCCCC[C@@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN 35896988 MQMKZFUPIXXQPJ-KGLIPLIRSA-N 314.455 0.532 50 50 DCGA Cc1ccc(CNC(=O)c2ccc(F)c(B(O)O)c2)c(F)c1 169744287 VGCQEEAZXNSXDK-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 113386 WIIZWVCIJKGZOK-IUCAKERBSA-N 323.132 0.909 50 50 DCGA biogenic,world COc1cc(OC)c(OC)cc1CN1CCC[C@@H](C(=O)NN)C1 23115535 YMJPIIDHOOSBGJ-LLVKDONJSA-N 323.393 0.914 50 50 DCGA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NNS(=O)(=O)c1ccccc1 2578129 OZYKAPYUXWUNEV-NEPJUHHUSA-N 324.358 0.663 50 50 DCGA O=P(O)(O)CCOCCOCCOCCBr 44960050 BZNXKXDTCPHJIY-UHFFFAOYSA-N 321.104 0.609 50 50 DCGA in-vitro O=C(O)COc1ccccc1/C=N\NC(=O)c1cnccn1 15930433 RQCYNGSZJCYVNW-IDUWFGFVSA-N 300.274 0.704 50 50 DCGA CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 4019870 FNGKZMAWFRVNFZ-LBPRGKRZSA-N 318.358 0.679 50 50 DCGA Cc1ccc(S(=O)(=O)n2c(B(O)O)cc3cccnc32)cc1 169748295 BQDGUWDAEPULPK-UHFFFAOYSA-N 316.147 0.262 50 50 DCGA C[C@@H](Cl)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O 1875378166 WQOFFCKRPJCMGL-NEPJUHHUSA-N 317.817 0.053 50 50 DCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 100064597 FRYYUCRGMMZORN-AAWHYMEISA-N 317.305 0.947 50 50 DCGA CCOC(=O)NNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F 585119074 OXLBAGPSHDAKKM-UHFFFAOYSA-N 321.286 0.982 50 50 DCGA NNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 4301176 BOOAASJRVPZWJW-GFCCVEGCSA-N 303.322 0.237 50 50 DCGA COCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 408516046 GHAAXGZNJPPHRQ-SNVBAGLBSA-N 315.370 0.427 50 50 DCGA COCCNC(=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2864889 DTVGXEPDPOYXEY-UHFFFAOYSA-N 321.377 0.508 50 50 DCGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccc(O)c1 8973157 XQKKIFDFDGWEMW-JTQLQIEISA-N 303.343 0.949 50 50 DCGA O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2903637 IDOYFSXNWVENET-LZYBPNLTSA-N 316.273 0.954 50 50 DCGA Cc1ccccc1NCc1nnc(SCC(=O)NN)n1C 34925121 NTPDMMUPPHERBU-UHFFFAOYSA-N 306.395 0.818 50 50 DCGA CCC(CC)n1ncc(C(=O)NNC(=O)c2nonc2N)c1C 585087754 NIEKYVMHTANHES-UHFFFAOYSA-N 321.341 0.593 50 50 DCGA CN1C(=O)/C(=C/C(=O)O)S/C1=N/NC(=O)c1ccccc1 1205023 XAUNXROZKOIFAB-JCCJWXFJSA-N 305.315 0.861 50 50 DCGA CNC(=S)NNC(=O)[C@H](C)Cn1cc(Br)cn1 2792242 LGAVBMYLLHVJIG-ZCFIWIBFSA-N 320.216 0.407 50 50 DCGA O=C(NNC(=O)c1cn([C@@H]2CCOC2)nn1)c1ccccc1 2325741657 LVIIGFPIBHNQJA-LLVKDONJSA-N 301.306 0.314 50 50 DCGA Cc1cccc(CC2CN(C(=O)c3ccc(B(O)O)cc3)C2)c1 585009142 QKRMBSUQOPLKPR-UHFFFAOYSA-N 309.174 0.990 50 50 DCGA C[C@H](Cl)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1875376161 NPCLXGUNFUTBJM-VHSXEESVSA-N 308.831 0.934 50 50 DCGA C[C@@H](Cl)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1875363834 BHPGBGPRBLSHTR-MRVPVSSYSA-N 317.802 0.248 50 50 DCGA Cn1cccc1/C=N/NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 17032515 ZSTIAPCHVKWMNS-ZECSTPGPSA-N 312.395 0.147 50 50 DCGA O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNC[C@H]1Cl 1875349880 RBRZPWPQCZKRPA-HTQZYQBOSA-N 305.743 0.452 50 50 DCGA CCCCOCCCNC(=O)c1ccc(B(O)O)c(Cl)c1 169744201 UFXNZEAQWFLOAM-UHFFFAOYSA-N 313.590 0.956 50 50 DCGA O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1F 13281335 ZITASGSTMIYTGY-DJKKODMXSA-N 300.293 0.987 50 50 DCGA CN(C)S(=O)(=O)CCNC(=O)N1CCSSCC1 1614456792 KBEKKRYOABHHEV-UHFFFAOYSA-N 313.470 0.284 50 50 DCGA CN1C(=O)C(=Cc2cc(C(=O)CCl)c[nH]2)C(=O)N(C)C1=O 1387160 CTROZTYKGXSVLZ-UHFFFAOYSA-N 309.709 0.870 50 50 DCGA CCOC(=S)SC[Si]12OCCN(CCO1)CCO2 195766283 KMBFLFOUOSZARI-UHFFFAOYSA-N 309.485 0.898 50 50 DCGA COc1cccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c1 5671100 BBVVAVTVHXGDTB-UHFFFAOYSA-N 314.301 0.490 50 50 DCGA CCOC(=O)c1cnc2c(c1CCl)c(=O)n(C)c(=O)n2C 226075661 PUNGDWMSFLOCHN-UHFFFAOYSA-N 311.725 0.548 50 50 DCGA Cc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)cc1[N+](=O)[O-] 169744444 PONAGSKHWHSFQJ-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA O=C(NCCc1ccccc1)c1ccc(Cl)c(B(O)O)c1 169744547 AIFDGQUTZVKZFW-UHFFFAOYSA-N 303.554 0.992 50 50 DCGA C[C@@H](C(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O)C1CC1 585087679 GOLGDQYSHDPPFN-PRHODGIISA-N 315.329 0.631 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100557109 IHSYDYLCLDWYSJ-AZZDOICSSA-N 317.305 0.947 50 50 DCGA C/C(CN1C(=O)c2ccccc2C1=O)=N\NC(=O)CC(=O)O 4964996 YMMNFOPXWHKUOR-OVCLIPMQSA-N 303.274 0.249 50 50 DCGA N#C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)[C@@H](F)Cl)C1 2325820801 CTNSBPCLTOXGOC-XRGYYRRGSA-N 301.627 0.694 50 50 DCGA COc1ccc(CNC(=O)c2ccc(B(O)O)c(Cl)c2)cc1 169744498 LRWSZGXQIRWXBB-UHFFFAOYSA-N 319.553 0.958 50 50 DCGA COc1cc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)ccc1O 100298817 WACHIHQJGNOWQH-AXLKIAQESA-N 318.333 0.753 50 50 DCGA O=S(=O)(c1ccccc1)n1cc(B(O)O)c2ccccc21 169743682 YKTZLHLBQGCFQX-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA in-vitro CCOC(=O)C(C#N)=C1S[C@H]2CS(=O)(=O)C[C@@H]2S1 4012876 LABKCDCKGKMEBI-YUMQZZPRSA-N 305.402 0.930 50 50 DCGA NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 8306568 FGGUKXNIQSPGPM-CQSZACIVSA-N 319.386 0.983 50 50 DCGA COC(=O)c1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 169746237 QNUYUUYYBLMZPF-UHFFFAOYSA-N 319.122 0.891 50 50 DCGA in-vitro C=CCc1cccc(/C=N\NC(=O)c2nc([N+](=O)[O-])n[nH]2)c1O 4975904 MJKVTKAQFKBHPE-AUWJEWJLSA-N 316.277 0.911 50 50 DCGA O=S1(=O)CC[C@H](SS[C@@H]2CCS(=O)(=O)C2)C1 12548865 PYOZDCAZDVXIHX-OCAPTIKFSA-N 302.464 0.742 50 50 DCGA COc1cc(OC)c(OC)cc1CN1CCC[C@H](C(=O)NN)C1 23115536 YMJPIIDHOOSBGJ-NSHDSACASA-N 323.393 0.914 50 50 DCGA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2 62534 GHPDNXCPOJJGFF-LLVKDONJSA-N 310.313 0.302 50 50 DCGA N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccccc1F 71023 USICXLQDYHLVTH-SECBINFHSA-N 300.249 0.833 50 50 DCGA biogenic,in-vitro COc1ccc(CNCc2cc(F)cc(B(O)O)c2)c(OC)c1 230548770 NXUGHIGDSPEPQS-UHFFFAOYSA-N 319.141 0.813 50 50 DCGA CCOc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)ccc1O 100621752 YQWLLTDDXWXDID-AXLKIAQESA-N 318.333 0.753 50 50 DCGA COc1cccc(/C=N/NC(=O)CC2=NNC(=O)C2)c1OC 102302438 WMGGMMWPDNDTNJ-OVCLIPMQSA-N 304.306 0.420 50 50 DCGA O=C([C@H](F)Cl)N1CC[C@H](n2nnnc2C(F)(F)F)C1 2325898684 SMVBSGBEWBXBQL-WHFBIAKZSA-N 301.631 1.000 50 50 DCGA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(F)cc(B(O)O)c1 169744215 WMVABRNSEZIZGB-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA Cc1ccc(CNC(=O)c2cc(F)cc(B(O)O)c2)c(F)c1 169744136 BRXNPTZBRCGLNE-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA O=C(NNC(=O)[C@H]1C[C@@H]2C[C@H]1CC2(F)F)c1cnsn1 2325792563 SUTGDROGIXGFTI-ACZMJKKPSA-N 302.306 0.981 50 50 DCGA C[C@H](Cl)C(=O)N1CCc2nc(N3CCOCC3)ncc2C1 1875380074 DMIVKRPZTSTMFM-JTQLQIEISA-N 310.785 0.825 50 50 DCGA COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1O 2902035 ZSKYGIIYJFBODE-CAOOACKPSA-N 317.301 0.760 50 50 DCGA COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)c(OC)c1 2892341 BDBADBWJWVDVJL-MHWRWJLKSA-N 305.334 0.776 50 50 DCGA CC(C)(O)C(F)(F)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 170597730 WROJABRVGLBIDH-UHFFFAOYSA-N 317.248 0.762 50 50 DCGA CCOC(=O)NNS(=O)(=O)Cc1ccc(C(=O)O)cc1 585118818 CVHTUVPOPBDOBE-UHFFFAOYSA-N 302.308 0.465 50 50 DCGA COC(=O)c1c(F)cccc1NNC(=O)[C@@H]1CCCC(=O)N1 818026090 AHIUNNORZFDSQS-JTQLQIEISA-N 309.297 0.724 50 50 DCGA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744158 YNAQKAMKBOMDJD-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA O=C(NNC(=O)[C@H]1CC12CCOCC2)c1ccnc(C2CC2)n1 1875267995 OEDWJCMRNFLIMB-LLVKDONJSA-N 316.361 0.932 50 50 DCGA N#C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)[C@H](F)Cl)C1 2325820800 CTNSBPCLTOXGOC-XNCJUZBTSA-N 301.627 0.694 50 50 DCGA COc1cc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)ccc1O 100298825 WACHIHQJGNOWQH-FNQVVVRFSA-N 318.333 0.753 50 50 DCGA COC(=O)[C@H](Br)[C@@H](Br)C(=O)OC 2149770 XQBOXCHKENCESQ-QWWZWVQMSA-N 303.934 0.859 50 50 DCGA in-vitro O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NNS(=O)(=O)c1ccccc1 5493887 OZYKAPYUXWUNEV-RYUDHWBXSA-N 324.358 0.663 50 50 DCGA COCCNC(=S)NNC(=O)[C@@]1(C)CC1(Cl)Cl 2857576 WRSSVXDEZPLGGD-MRVPVSSYSA-N 300.211 0.712 50 50 DCGA COc1ccc(-n2cc(C(=O)NNC(=O)C3CC3)nn2)cc1 929231382 GUJLJGYDTWXRMH-UHFFFAOYSA-N 301.306 0.447 50 50 DCGA COc1ccc(O)c(/C=N\NC(=O)c2nc([N+](=O)[O-])n[nH]2)c1 100336947 FEIKQZDNHSIHMX-XGICHPGQSA-N 306.238 0.191 50 50 DCGA O=C(CCl)N1C[C@@H]2COCC[C@@]2(C(=O)N2CCCC2)C1 1875375149 SESMJYURWILWCF-BXUZGUMPSA-N 300.786 0.713 50 50 DCGA Cc1nc(C)c(CC(=O)N/N=C/c2ccc(O)cc2)c(=O)[nH]1 4955934 RJWAHTZLXVLMQI-LZYBPNLTSA-N 300.318 0.785 50 50 DCGA NNC(=O)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 4952021 YKKFENSUYJNJNH-OAHLLOKOSA-N 307.394 0.266 50 50 DCGA CCNC(=S)NNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 6655135 QRHUIDPBCBYEQQ-UHFFFAOYSA-N 312.351 0.797 50 50 DCGA C/C(N)=C(\C#N)C(=O)COC(=O)c1nnc(O)c2ccccc12 952961826 LBEQMUAJCHSLPX-FLIBITNWSA-N 312.285 0.818 50 50 DCGA CCOC(=O)c1ccc(NC(=O)NNC(=O)C[C@@H](C)O)cc1 2851303 DMLVJNQGNSOBMO-SECBINFHSA-N 309.322 0.787 50 50 DCGA Cc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)cc1[N+](=O)[O-] 169744315 CVZKZXSMCIPEJJ-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA COc1ccc(CNC(=O)C(=O)NN=C2CCN(C)CC2)cc1 55433474 NDRVPBLZZYAAGW-UHFFFAOYSA-N 318.377 0.509 50 50 DCGA C[C@H](Cl)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1875363759 XZDHGKXZOCUACC-VIFPVBQESA-N 308.773 0.639 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C1/C(=O)Nc2ccccc21 100573367 WUHLYCDGOYZWIL-VIFPVBQESA-N 313.317 0.361 50 50 DCGA NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 8306569 FGGUKXNIQSPGPM-AWEZNQCLSA-N 319.386 0.983 50 50 DCGA COc1cccc(/C=N\NC(=O)CN2CCN(C)CC2)c1O 19339950 UTJQAPSDUATZJU-YBEGLDIGSA-N 306.366 0.098 50 50 DCGA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NN 2549530 LLRHJYJWEYIYIW-UHFFFAOYSA-N 301.066 0.963 50 50 DCGA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NNS(=O)(=O)c1ccccc1 5493888 OZYKAPYUXWUNEV-VXGBXAGGSA-N 324.358 0.663 50 50 DCGA C[C@@H](Cl)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1875376162 NPCLXGUNFUTBJM-ZJUUUORDSA-N 308.831 0.934 50 50 DCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1 100064600 FRYYUCRGMMZORN-IYVNWDGISA-N 317.305 0.947 50 50 DCGA CNC(=S)NNC(=O)COc1cccc2c1OC(C)(C)C2 5523143 GTJVJGOGUPMVFY-UHFFFAOYSA-N 309.391 0.904 50 50 DCGA O=C(COc1cccc(Cl)c1)N/N=C1/C(=O)NC(=O)N=C1O 6974487 QONCVQWWNZBBSG-UHFFFAOYSA-N 324.680 0.397 50 50 DCGA O=C(CCl)N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1 1875367519 JZRJFAQHOMDDSP-XPUUQOCRSA-N 305.705 0.803 50 50 DCGA O=C(NNC(=O)N1C[C@H]2CC[C@H]2C1)c1cn2c(n1)CCCC2 2325768783 NYOPQFVATGNSDN-PHIMTYICSA-N 303.366 0.916 50 50 DCGA CCOc1cc(/C=N/NC(=O)C(=O)N2CCCC2)ccc1O 2025885 IVKWEJAVRYJLQL-MHWRWJLKSA-N 305.334 0.863 50 50 DCGA O=C(CCl)N1C[C@H]2COCC[C@]2(C(=O)N2CCCC2)C1 1875375150 SESMJYURWILWCF-FZMZJTMJSA-N 300.786 0.713 50 50 DCGA CNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 3052130 PZQGGBKGGKATBI-UHFFFAOYSA-N 316.386 0.635 50 50 DCGA C[C@]1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCCNC1=O 375430126 WCOTUOJQBGIUEV-ZDUSSCGKSA-N 307.741 0.966 50 50 DCGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc[n+](CCO)c1 333221 IXDXMADNZTVOML-RQZCQDPDSA-O 314.321 0.459 50 50 DCGA C[C@@H](Cl)C(=O)NCCS(=O)(=O)NCc1ccccc1 1875363541 IKIPZFDYQJIYPH-SNVBAGLBSA-N 304.799 0.850 50 50 DCGA COc1ccccc1CNC(=O)c1cccc(B(O)O)c1F 169744670 BYQMFDATEVCUSX-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA COc1cccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)c1OC 100507047 IEKSNWLPWSVWBT-FNQVVVRFSA-N 318.333 0.666 50 50 DCGA CS(=O)(=O)Nc1cccc(C#CCNC(=O)CCl)c1 952845101 DTUBSLPHUSHSFZ-UHFFFAOYSA-N 300.767 0.765 50 50 DCGA O=C(NNC(=O)C1C[C@@H]2COC[C@H]2C1)c1cn2c(n1)CCCC2 2325792443 CNTMWTYUNUGVCW-VXGBXAGGSA-N 318.377 0.653 50 50 DCGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 13471611 OYDHRDMDTVXIDA-LLVKDONJSA-N 324.296 0.775 50 50 DCGA O=C(CNC(=O)NCc1ccco1)N/N=C/c1ccccc1O 1567754 DTKPNJZJSVEINZ-QGMBQPNBSA-N 316.317 0.935 50 50 DCGA C[C@@H](Cl)C(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 1875380270 KIKGOIXFNLJQBD-GHMZBOCLSA-N 320.817 0.725 50 50 DCGA COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(N)N2)c1C 887556337 FKQHFOYTCQVUBD-NTEUORMPSA-N 315.377 0.805 50 50 DCGA O=C([C@@H](F)Cl)N1CC[C@H](n2nnnc2C(F)(F)F)C1 2325898681 SMVBSGBEWBXBQL-CRCLSJGQSA-N 301.631 1.000 50 50 DCGA Cc1ccc(F)c(CNC(=O)c2cc(F)cc(B(O)O)c2)c1 169744151 VSXANLFUAFOBQD-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA CCC(CC)(NC(=O)C1CN(C(=O)[C@@H](C)Cl)C1)C(N)=O 1875375992 LHELNQGIPQVCDQ-MRVPVSSYSA-N 303.790 0.232 50 50 DCGA CNC(=S)NNC(=O)c1nn(C)c(C)c1Br 2792421 IFNHMWSPRFZWJC-UHFFFAOYSA-N 306.189 0.230 50 50 DCGA COc1ccc(C(=O)NN=c2c(=O)c3ccccc3c2=O)cc1 437861 AXOOESXMEBPJHY-UHFFFAOYSA-N 308.293 0.690 50 50 DCGA O=C(CN1CCSCC1)NNC(=S)NC1CCCCC1 12343515 SKARGJDXMXQSEZ-UHFFFAOYSA-N 316.496 0.863 50 50 DCGA CCOC(=O)/C(C#N)=C1\C(=O)N(CC(=O)O)c2ccccc21 334160974 PYODNSQVRRQVPT-RAXLEYEMSA-N 300.270 0.958 50 50 DCGA CCCC(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1 6389065 DFKZZVRJVWYJPZ-UHFFFAOYSA-N 316.408 0.452 50 50 DCGA CN(Cc1ccccc1)S(=O)(=O)c1cccc(B(O)O)c1 169744060 WMOZVFDXJHOZJA-UHFFFAOYSA-N 305.164 0.187 50 50 DCGA NNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NN 18163797 VSIXZNXJYWMUMM-STONLHKKSA-N 322.368 0.490 50 50 DCGA CN(C(=O)c1cc(F)cc(B(O)O)c1)c1ccccc1[N+](=O)[O-] 169744047 FKSOIPDXGZKRLH-UHFFFAOYSA-N 318.069 0.690 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C\c1ccccc1[N+](=O)[O-] 100151691 JBCXRNUOOOKJMD-SHLUWWQESA-N 317.305 0.947 50 50 DCGA COc1cccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)c1OC 100507049 IEKSNWLPWSVWBT-AXLKIAQESA-N 318.333 0.666 50 50 DCGA CC(C)CNC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2965434 QKTGLJUEAWMSEZ-UHFFFAOYSA-N 308.294 0.128 50 50 DCGA C=CCNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 245255020 DQAFLSOTUMKUOY-JRKXVGBNSA-N 300.152 0.860 50 50 DCGA O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CCc1ccccn1 1615585924 IEHJGURVZHFXGG-KRWDZBQOSA-N 324.189 0.999 50 50 DCGA O=C(O)/C=C/C(=O)NNC(=O)c1ccccc1Br 2880491 CVMXKPRBMFXQRR-AATRIKPKSA-N 313.107 0.851 50 50 DCGA Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCl)cc1 66324477 QHLIIWUTUGEAKC-LBPRGKRZSA-N 323.780 0.889 50 50 DCGA CCNC(=S)NNC(=O)CCn1nc([N+](=O)[O-])cc1C 2735533 LCSWFDZLKBINGR-UHFFFAOYSA-N 300.344 0.005 50 50 DCGA CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1 169955597 JBOOIEDHOGPRIZ-UHFFFAOYSA-N 306.171 0.424 50 50 DCGA COC(=O)c1nc2cc(NC(=O)NNC(=O)C3CC3)ccc2[nH]1 1775987826 RZOWLPABVINMJU-UHFFFAOYSA-N 317.305 0.912 50 50 DCGA O=C(CN1CCOC2(CCCCCC2)C1)NNC(=O)C1CC1 152768025 WQDMWLIWLPEKJV-UHFFFAOYSA-N 309.410 0.969 50 50 DCGA O=C(CCNCCSS(=O)(=O)O)Nc1nccs1 31440245 IQVBFYUOUDQRES-UHFFFAOYSA-N 311.410 0.597 50 50 DCGA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744346 LZCKVRHHMFHKQO-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA OB(O)c1ccc(Cl)c(CN2CCC3(CC2)OCCO3)c1 230546842 ZZIGZEUJULOYDA-UHFFFAOYSA-N 311.574 0.359 50 50 DCGA COC(=O)NNS(=O)(=O)c1cccnc1OCC(F)F 585119055 NXYTVMGOOTXTMF-UHFFFAOYSA-N 311.266 0.275 50 50 DCGA O=C(c1ccc(-c2nn[nH]n2)o1)N1C[C@H]2[C@H](Br)[C@H]2C1 2325806918 OEEKFGQMPOKKCF-KPCSLPGQSA-N 324.138 0.925 50 50 DCGA N#C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)[C@H](F)Cl)C1 2325820802 CTNSBPCLTOXGOC-YLWLKBPMSA-N 301.627 0.694 50 50 DCGA OCCOCCOCCOCCI 142135013 YDNMKIHNLZSLNU-UHFFFAOYSA-N 304.124 0.464 50 50 DCGA O=C(Cn1ccc(C(F)(F)F)n1)NNc1ncc(F)cn1 762093305 ZUBKSLZZLKMDIO-UHFFFAOYSA-N 304.207 0.974 50 50 DCGA C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 1875375991 LGZFCQAOKJVDNL-ZDSQKVDBSA-N 310.785 0.968 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100708621 SDTOJPGWVGFTPV-AZZDOICSSA-N 317.305 0.947 50 50 DCGA CCOc1oc(C(=O)NNC(=O)Cc2c(C)n[nH]c2C)nc1C 585129966 CZKCQUVRYWOINX-UHFFFAOYSA-N 321.337 0.725 50 50 DCGA CCOC1CC(CNC(=O)[C@@H](C)Cl)(N2CCOCC2)C1 1875377550 GZSPDAMOUBSTPN-LKSINWNRSA-N 304.818 1.000 50 50 DCGA C[C@H](Cl)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O 1875378167 WQOFFCKRPJCMGL-NWDGAFQWSA-N 317.817 0.053 50 50 DCGA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(B(O)O)c1 169744327 QVDAMBMSJKATAO-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA CN(C(=O)c1ccc(F)c(B(O)O)c1)c1ccccc1[N+](=O)[O-] 169744423 UOLFNPGGUUSEKJ-UHFFFAOYSA-N 318.069 0.690 50 50 DCGA NNC(=O)c1cn2cc(I)ccc2n1 4002546 QQEPGHVVAVNMHB-UHFFFAOYSA-N 302.075 0.542 50 50 DCGA O=S(=O)(c1ccc(B(O)O)c(C(F)(F)F)c1)N1CCCC1 169955231 FWHPNPSSQRPDDH-UHFFFAOYSA-N 323.101 0.170 50 50 DCGA O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 113378 WIIZWVCIJKGZOK-BDAKNGLRSA-N 323.132 0.909 50 50 DCGA biogenic,world Cc1ccc(S(=O)(=O)NC2CN(C(=O)CCl)C2)cc1 1875377938 RRZNPLSGLHMEAT-UHFFFAOYSA-N 302.783 0.723 50 50 DCGA CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCOC(C)(C)C1 584993923 VPPGBUXZMDRSQR-AWEZNQCLSA-N 305.183 0.786 50 50 DCGA CNC(=O)c1cc(S(=O)(=O)NCCCSC#N)cn1C 585115406 YOYWZEUXZYCAEB-UHFFFAOYSA-N 316.408 0.267 50 50 DCGA CCCCC[C@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN 35896990 MQMKZFUPIXXQPJ-UONOGXRCSA-N 314.455 0.532 50 50 DCGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@@H]2O)[C@H](O)[C@H]1O3 169835860 OKOJQWNGVURXGG-LHIGAAMKSA-N 304.415 0.579 50 50 DCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100151520 JKCDGBOIXHVZJB-LLUUXILJSA-N 303.278 0.557 50 50 DCGA COc1ccc(/C=N/NC(=O)CCN2CCN(C)CC2)cc1O 19535945 DHLQNKZYHLXLLF-SFQUDFHCSA-N 320.393 0.488 50 50 DCGA CN1CCC(=NNC(=O)C(=O)NCCc2ccccc2)CC1 55433680 ACDVECISBZGDAP-UHFFFAOYSA-N 302.378 0.543 50 50 DCGA Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N1CCC(C)CC1 230538271 ZBJZUQDVXYRNKV-UHFFFAOYSA-N 311.212 0.404 50 50 DCGA O=C(NCc1ccc2c(n1)CCCC2)c1ccc(B(O)O)cc1 584982993 OEEOCEPPNULAFU-UHFFFAOYSA-N 310.162 0.570 50 50 DCGA O=C(c1cccc(B(O)O)c1)N1Cc2ccc(O)cc2C2(CC2)C1 584992783 RQCTVRPFIFKWGT-UHFFFAOYSA-N 323.157 0.760 50 50 DCGA Cn1cccc1/C=N/NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 17032517 ZSTIAPCHVKWMNS-LUHPIMIVSA-N 312.395 0.147 50 50 DCGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc[n+](CCO)c1 5714305 RQBXQKCWRQKEKV-MHWRWJLKSA-O 315.309 0.639 50 50 DCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 100064604 FRYYUCRGMMZORN-AZZDOICSSA-N 317.305 0.947 50 50 DCGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1875363621 NNZGCEODHFBKMT-ZETCQYMHSA-N 303.771 0.818 50 50 DCGA CN(C)S(=O)(=O)c1cccc(F)c1CNC(=O)CCl 1875364128 IYRPPVHHTYORRI-UHFFFAOYSA-N 308.762 0.931 50 50 DCGA Cc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)c([N+](=O)[O-])c1 169744118 VTTKDZYFSHCDNV-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA C[C@@H](Cl)C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 1875379951 AHKUENNLJIJUIH-WXHSDQCUSA-N 314.817 0.878 50 50 DCGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2nonc2N)cc1 12343168 VOPVRAOGAXEPAD-FRKPEAEDSA-N 302.294 0.764 50 50 DCGA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23CCC[C@]12C3Br 101049221 YIZUZQSNJNNZPK-GYBADROVSA-N 324.178 0.948 50 50 DCGA Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 100097050 AJMFDRSAANGVGI-CQSZACIVSA-N 324.340 0.957 50 50 DCGA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(B(O)O)c1 169744445 YFGKLRLOISCGBR-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA Cc1nc2sc(CNC(=O)[C@@H](F)Cl)nn2c(=O)c1F 2325901722 VNMVPHGPUMQQCF-ZCFIWIBFSA-N 308.697 0.749 50 50 DCGA C=CCNC(=S)NNC(=O)CSC(=S)N1CCCC1 5495001 KFJHHIWELLBXGJ-UHFFFAOYSA-N 318.493 0.782 50 50 DCGA COc1ccccc1OCC(=O)NNC(=O)c1cccnc1 2573567 JKAMOWBCAZLDAP-UHFFFAOYSA-N 301.302 0.930 50 50 DCGA COC(=O)[C@@H](Br)[C@H](Br)C(=O)OC 2149768 XQBOXCHKENCESQ-IMJSIDKUSA-N 303.934 0.859 50 50 DCGA in-vitro O=C(NNS(=O)(=O)CCc1cccs1)c1ccccn1 170610532 KIHMTYPVWYSBNY-UHFFFAOYSA-N 311.388 0.950 50 50 DCGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc[n+](CCO)c1 436542 SAQWROYDVIIPDD-UHFFFAOYSA-O 302.310 0.142 50 50 DCGA COC(=O)[C@@]12C[C@@](OC)(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@H]12 257356760 KDAUQUQORHSGTB-KUDNYVPYSA-N 302.282 0.672 50 50 DCGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1875366856 NENNJDMJZUEJSB-LURJTMIESA-N 302.739 0.978 50 50 DCGA CN1CCN(CCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])CC1 291526 FILPVYZPGBXBRQ-FOWTUZBSSA-N 319.365 0.682 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 2903014 IJHBLDCEJIMRMW-RQZCQDPDSA-N 305.334 0.696 50 50 DCGA CNC(=S)NNC(=O)c1cccn(Cc2ccccc2)c1=O 13545344 SZIVQQUSZZISHN-UHFFFAOYSA-N 316.386 0.635 50 50 DCGA CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(C(=O)O)cc1 2898620 JMXOJNYWIKJNIA-RQZCQDPDSA-N 305.334 0.997 50 50 DCGA COc1cc(/C=N/NC(=O)CCN2CCN(C)CC2)ccc1O 19535946 WAQUBGDEFSCWAT-SFQUDFHCSA-N 320.393 0.488 50 50 DCGA Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1 66324476 QHLIIWUTUGEAKC-GFCCVEGCSA-N 323.780 0.889 50 50 DCGA CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2B(O)O)CC1 230539133 XPOZIABCFCNJJV-UHFFFAOYSA-N 319.138 0.065 50 50 DCGA Cc1cc(F)c(B(O)O)cc1S(=O)(=O)N1CCC(C)CC1 230554712 YDLMPWJVHKWXPR-UHFFFAOYSA-N 315.175 0.235 50 50 DCGA COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)CCl 13598491 WMSZAZJMNQNIFY-IVZWLZJFSA-N 302.758 0.427 50 50 DCGA O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)CC1 1875387064 MBZYSHRESYQQNC-UHFFFAOYSA-N 308.812 0.820 50 50 DCGA C=C(CO)[C@]12O[C@@H]1[C@]1(C)C(=CC2=O)[C@H](Cl)[C@H](O)[C@H](O)[C@@H]1C 2332918069 DPAOBSGLKRVLOU-ZEJJBAPPSA-N 314.765 0.167 50 50 DCGA C[C@@H]1CN(C(=O)[C@H](F)Cl)CCN1c1nccn2cnnc12 2325898098 SGXPNYOXKDMQRU-BDAKNGLRSA-N 312.736 0.696 50 50 DCGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 6655146 DYRGKCGTIILQQH-MRVPVSSYSA-N 312.351 0.877 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1 100280551 WPKJUVOQKXOSMY-WIJRQFRKSA-N 316.317 0.435 50 50 DCGA CN1C(=O)/C(=C\C(=O)O)S/C1=N/NC(=O)c1ccccc1 5793712 XAUNXROZKOIFAB-WMJSJUBFSA-N 305.315 0.861 50 50 DCGA CCCCN1CCOC[C@H]1C(=O)NNC(=O)c1ccccc1 170597732 JORCCTQSAQRTLR-AWEZNQCLSA-N 305.378 0.949 50 50 DCGA Cc1cc(C(=O)N/N=C/c2ccccc2OCC(=O)O)[nH]n1 5687191 FUZNPOCHADNEAW-VIZOYTHASA-N 302.290 0.945 50 50 DCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cccc(C(=O)O)c21 170010656 KBHAQLMJWHUROG-UHFFFAOYSA-N 305.095 0.803 50 50 DCGA COc1ccc(C(=O)NNC(=O)CSc2ncn[nH]2)cc1 11340765 NQTHRDLBQNPRLN-UHFFFAOYSA-N 307.335 0.367 50 50 DCGA NNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NN 401829 VSIXZNXJYWMUMM-CKUJCDMFSA-N 322.368 0.490 50 50 DCGA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)c(B(O)O)c1 169744163 RKPZVFVJISKJFU-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA CSCC(=O)NNC(=O)c1ccc(Cc2nc[nH]n2)cc1 1775988432 MEVOZDYJOLLDHV-UHFFFAOYSA-N 305.363 0.520 50 50 DCGA Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 136576621 VCLCYBCASZVNOJ-ZYUZMQFOSA-N 324.358 0.696 50 50 DCGA CCc1nc(COc2cc(C=O)c(B(O)O)cc2OC)cs1 2325854218 SLPWHMRIWLADPS-UHFFFAOYSA-N 321.163 0.785 50 50 DCGA CC1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CCC1 408523704 UWVVOKZFZITIOK-LLVKDONJSA-N 315.329 0.775 50 50 DCGA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23CCC[C@@]12C3Br 101049220 YIZUZQSNJNNZPK-XMUKKISLSA-N 324.178 0.948 50 50 DCGA CCOC(=O)C(C#N)=C1S[C@H]2CS(=O)(=O)C[C@H]2S1 15637103 LABKCDCKGKMEBI-OCAPTIKFSA-N 305.402 0.930 50 50 DCGA N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccccc1F 71025 USICXLQDYHLVTH-VIFPVBQESA-N 300.249 0.833 50 50 DCGA biogenic,in-vitro COc1cccc(/C=N/NC(=O)CCN2CCN(C)CC2)c1O 19535943 OLMFUGUANYLIQZ-SFQUDFHCSA-N 320.393 0.488 50 50 DCGA CN1CCO[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1=O 827789359 FHMABYPXDROKGX-JTQLQIEISA-N 303.240 0.404 50 50 DCGA Cc1ccc(S(=O)(=O)NNC(=O)c2snnc2C)cc1 1406744 OLYRJTNDQPADNQ-UHFFFAOYSA-N 312.376 0.778 50 50 DCGA C=CCN(CC(OC)OC)S(=O)(=O)CBr 43199294 UUVGRSUCWMKBKH-UHFFFAOYSA-N 302.190 0.776 50 50 DCGA CCOC(=O)CCCCOc1c(F)cc(F)c(B(O)O)c1F 169746486 IZPKPMGAODMUFI-UHFFFAOYSA-N 320.072 0.896 50 50 DCGA O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc[nH]c(=O)c1 160384362 OIWJSACMXAWBHU-UHFFFAOYSA-N 323.312 0.840 50 50 DCGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 975691 PDWWESXBDNNBGO-UHFFFAOYSA-N 323.330 0.861 50 50 DCGA CN1CCN(c2ccc(/C=C(\C#N)C(N)=O)cc2[N+](=O)[O-])CC1 5042445 MKQYJTAOKFEBKP-XYOKQWHBSA-N 315.333 0.739 50 50 DCGA COc1cc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)ccc1O 16995031 RDZXARVGDYIGBC-VIZOYTHASA-N 304.306 0.831 50 50 DCGA COc1cccc(/C=N/NC(=O)CCN2CCN(C)CC2)c1 19535938 FPEPBOWWWQJDED-GHRIWEEISA-N 304.394 0.783 50 50 DCGA NC(=O)N(N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 118963 GMSVYEVUSXJYKX-UHFFFAOYSA-N 320.401 0.611 50 50 DCGA C[C@@H](Cl)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1875363637 OQSRWCBRMKWIMT-GFCCVEGCSA-N 324.812 0.864 50 50 DCGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(O)c(O)c1 5740134 FCFKCSUBFNWRAS-LZYBPNLTSA-N 311.301 0.993 50 50 DCGA CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 4019871 FNGKZMAWFRVNFZ-GFCCVEGCSA-N 318.358 0.679 50 50 DCGA COC(=O)c1sc(B(O)O)cc1NC(=O)OC(C)(C)C 170016978 IAIBDIUVAWDVBF-UHFFFAOYSA-N 301.129 0.562 50 50 DCGA C[C@]1(c2ccccc2)[C@@H]2SCC(=O)N2CCN1CC(=O)NN 35896970 RZAGBUSYSSHKTP-GJZGRUSLSA-N 320.418 0.109 50 50 DCGA COc1cccc(NS(=O)(=O)c2ccc(B(O)O)cc2)c1 169744053 XMZHNHSASFVSTD-UHFFFAOYSA-N 307.136 0.176 50 50 DCGA O=C(c1cc(Br)cc(B(O)O)c1)N1CCCCC1 238791226 WBPMXLDOJJVZDG-UHFFFAOYSA-N 311.972 0.755 50 50 DCGA CCn1ncc(NC(=S)NNC(=O)Cn2ccc(C)n2)c1C 2802745 YARJBZBXVUCEHN-UHFFFAOYSA-N 321.410 0.734 50 50 DCGA COc1cccc(/C=N\NC(=O)c2ccc(O)nn2)c1OC 16677577 URSCVWOWDKZIER-NVNXTCNLSA-N 302.290 0.963 50 50 DCGA C=CCNC(=S)NNC(=O)Cn1c(=N)sc2ccccc21 100659006 TVODROWATXFUOR-UHFFFAOYSA-N 321.431 0.864 50 50 DCGA O=C1c2ccccc2C(=O)N1CCOc1ccc(B(O)O)cc1 169746481 CFRXLUKYUVSWFV-UHFFFAOYSA-N 311.102 0.041 50 50 DCGA in-vitro C[C@H](Cl)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1=O 1875378168 WQOFFCKRPJCMGL-RYUDHWBXSA-N 317.817 0.053 50 50 DCGA COc1cccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)c1O 100371601 BKGJQOWUFHIBRQ-XVBMGZJVSA-N 304.306 0.363 50 50 DCGA CC(=O)NC/C(C)=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12343177 CTNLRDZPXDJIHY-VGOFMYFVSA-N 323.265 0.745 50 50 DCGA COC(=O)c1cccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c12 169746239 DUYWVUSQQWEWAZ-UHFFFAOYSA-N 319.122 0.891 50 50 DCGA in-vitro N=C(CCl)NCCC[C@@H](NC(=O)c1ccccc1)C(N)=O 71746282 BPWATVWOHQZVRP-LLVKDONJSA-N 310.785 0.856 50 50 DCGA in-vitro C=CCOc1cc(C(=O)NN)c(OCC=C)cc1C(=O)NN 1857795572 INBXIOUJGPOHOA-UHFFFAOYSA-N 306.322 0.023 50 50 DCGA COc1ccc(B(O)O)cc1OS(=O)(=O)c1ccccc1 170002353 RPDIIKYCBONNMS-UHFFFAOYSA-N 308.120 0.143 50 50 DCGA CP(=O)(c1ccc(C(N)=O)cc1)c1ccc(C(N)=O)cc1 100291080 UZQPEEGTWAQHEB-UHFFFAOYSA-N 302.270 0.828 50 50 DCGA Cc1ccc(NCc2nnc(SCC(=O)NN)n2C)cc1 66324328 MTIMCFRYJVXNMK-UHFFFAOYSA-N 306.395 0.818 50 50 DCGA O=C1OC(=O)[C@@H]2[C@@H]1C1C=C3CCCCC32[C@@H]2C(=O)OC(=O)[C@@H]12 254895797 CTMNMKNVTBAOON-WYOPNASRSA-N 302.282 0.748 50 50 DCGA O=S1(=O)CC[C@H](SS[C@H]2CCS(=O)(=O)C2)C1 3388395 PYOZDCAZDVXIHX-YUMQZZPRSA-N 302.464 0.742 50 50 DCGA O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)N1CCCCC1 2892267 JGSLCGWIEUDBSE-MHWRWJLKSA-N 303.318 0.847 50 50 DCGA CCCOc1ccc(N2C(=O)C[C@H](NNC(N)=O)C2=O)cc1 95531889 QVNQCJOUCGKSKK-NSHDSACASA-N 306.322 0.280 50 50 DCGA CN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1 169744405 ZDYWXSWOYAWQRJ-UHFFFAOYSA-N 305.164 0.187 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C\c1ccccc1[N+](=O)[O-] 100151695 JBCXRNUOOOKJMD-LWHXSLQUSA-N 317.305 0.947 50 50 DCGA Cc1nn(Cn2ccc(C(=O)NN)n2)c(C)c1Br 2526619 NZUYANVFWVXBHR-UHFFFAOYSA-N 313.159 0.568 50 50 DCGA C=C(CO)[C@]12O[C@@H]1[C@]1(C)C(=CC2=O)[C@H](Cl)[C@H](O)[C@@H](O)[C@@H]1C 2332918067 DPAOBSGLKRVLOU-ONUGARHQSA-N 314.765 0.167 50 50 DCGA COCCNC(=S)NNC(=O)CCc1ccc(OC)cc1 2851121 AUKQSMQXXHGZBH-UHFFFAOYSA-N 311.407 0.770 50 50 DCGA O=C(Cn1nnc2ccccc21)N/N=C1/C(=O)Nc2ccccc21 5731655 IBBPPFJGKCYADH-UHFFFAOYSA-N 320.312 0.904 50 50 DCGA CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccs2)C1 17053485 BVUVIDRTFFBIGJ-XNFYSYIQSA-N 315.420 0.870 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100151699 JBCXRNUOOOKJMD-UXYFDLPDSA-N 317.305 0.947 50 50 DCGA CCOCCCNC(=S)NNC(=O)c1nn(C)cc1Cl 2755228 DIRPBHZCRNEHFF-UHFFFAOYSA-N 319.818 0.609 50 50 DCGA O=C(CSc1nnc(O)[nH]c1=O)N/N=C/c1cccs1 1910956 SAASVFXPUUTWGL-NYYWCZLTSA-N 311.348 0.174 50 50 DCGA COc1ccccc1CNC(=O)c1ccc(F)c(B(O)O)c1 169744141 LLKVJBWMBZQDKA-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA CCCCC[C@]1(C)[C@H]2SCC(=O)N2CCN1CC(=O)NN 35896986 MQMKZFUPIXXQPJ-ZIAGYGMSSA-N 314.455 0.532 50 50 DCGA CN(C(=O)c1ccc(B(O)O)c(F)c1)c1ccccc1[N+](=O)[O-] 169744596 LPLIQAQFNUBMQS-UHFFFAOYSA-N 318.069 0.690 50 50 DCGA C=C(CO)[C@]12O[C@@H]1[C@]1(C)C(=CC2=O)[C@H](Cl)[C@H](O)[C@H](O)[C@H]1C 2332918066 DPAOBSGLKRVLOU-GAONZPCFSA-N 314.765 0.167 50 50 DCGA Cc1no[n+]([O-])c1COc1ccc(/C=C(\C#N)C(N)=O)cc1 85724 ARXFVVZIXFXAFC-IZZDOVSWSA-N 300.274 0.588 50 50 DCGA NC(=O)C(=O)N/N=C(\N)COc1ccc(Cl)cc1Cl 2512160 AGEBHQBZILLVMB-UHFFFAOYSA-N 305.121 0.246 50 50 DCGA COc1ccc(CNC(=O)c2cc(F)cc(B(O)O)c2)cc1 169744384 IPNRRURMQDNLFP-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA Cc1ccc(CNC(=O)c2ccc(F)c(B(O)O)c2)cc1F 169744124 LZBLIQJRKZLMQM-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA CCn1c(=O)c(C(=O)NNC(=O)CCl)c(O)c2ccccc21 100680108 FBDQWMPUXMYJAQ-UHFFFAOYSA-N 323.736 0.727 50 50 DCGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1875363620 NNZGCEODHFBKMT-SSDOTTSWSA-N 303.771 0.818 50 50 DCGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccn(C)n2)c1 609858 CXQHGLNGRUBOGS-UHFFFAOYSA-N 319.321 0.904 50 50 DCGA C[C@@]1(c2ccccc2)[C@H]2SCC(=O)N2CCN1CC(=O)NN 35896969 RZAGBUSYSSHKTP-HUUCEWRRSA-N 320.418 0.109 50 50 DCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 5295218 RZNZAICNSXDVAD-SNVBAGLBSA-N 311.257 0.896 50 50 DCGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)c(C)c1 13737193 CYKDMJIPVXBQSX-UHFFFAOYSA-N 311.407 0.694 50 50 DCGA O=C1NN=C(C(F)(F)F)C1=CNNC(=O)c1ccccc1O 2040751021 NTKUGMJFWJISLK-UHFFFAOYSA-N 314.223 0.559 50 50 DCGA O=S(=O)(c1ccccc1)n1ccc2ccc(B(O)O)cc21 169810988 RVWRLLZYYUIBOX-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA O=C1NN=C(c2ccccc2)[C@H]1C(=O)N/N=C/c1ccccc1O 102297022 YJHKRYFFMSSKBV-XKYMITNMSA-N 322.324 0.993 50 50 DCGA OCCOCCOCCOCCOCCBr 96308251 ZXJWAHSKDNOZCY-UHFFFAOYSA-N 301.177 0.440 50 50 DCGA in-vitro O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C(F)(F)F 25757156 ALPXXZOQBLJICG-UHFFFAOYSA-N 302.168 0.930 50 50 DCGA N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(N)=O 434910 MOWWSPAWWJGRBC-JXMROGBWSA-N 317.326 0.986 50 50 DCGA C[C@@H](Nc1nnc(O)nc1O)C(=O)N/N=C/c1cccs1 13520447 HYUKCVYNEMWDBE-HDDZKMFUSA-N 308.323 0.295 50 50 DCGA CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccs2)C1 17053481 BVUVIDRTFFBIGJ-SEEODLKFSA-N 315.420 0.870 50 50 DCGA CNC(=O)c1cc(NC(=O)[C@H](F)Cl)cc(C(=O)NC)c1 2325898740 XWVNLQXPZAGPJJ-VIFPVBQESA-N 301.705 0.879 50 50 DCGA CNC(=O)c1cc(NC(=O)[C@@H](F)Cl)cc(C(=O)NC)c1 2325898739 XWVNLQXPZAGPJJ-SECBINFHSA-N 301.705 0.879 50 50 DCGA CS(=O)(=O)NNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1 1394593 VTHKSXKAFXFQIN-CYBMUJFWSA-N 306.343 0.724 50 50 DCGA C[C@H](Cl)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1875303987 VRMATOQNRUVKON-NTSWFWBYSA-N 310.725 0.552 50 50 DCGA C[C@@H](Nc1nnc(O)nc1O)C(=O)N/N=C/c1ccccc1 13638519 UWYJJBNHEBMUFA-WPIAHNSYSA-N 302.294 0.234 50 50 DCGA biogenic,in-vitro O=C(CCl)OCCCNC1=NS(=O)(=O)c2ccccc21 4289830 SHGIOGFWXQKITA-UHFFFAOYSA-N 316.766 0.897 50 50 DCGA Nc1nonc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1 275898 OAQXSDXRHHAKGA-CXUHLZMHSA-N 316.321 0.252 50 50 DCGA CCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 1884725 UMWKJQCLOQZLTQ-UHFFFAOYSA-N 307.306 0.661 50 50 DCGA CC(C)(C)OC(=O)N1CCN(Cc2cccc(B(O)O)c2)CC1 197861895 MFEOKQZFYJRCEP-UHFFFAOYSA-N 320.198 0.419 50 50 DCGA CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2F)CC1 1772575820 HRQFEZFCSUMZEF-UHFFFAOYSA-N 324.161 0.563 50 50 DCGA CCn1ncc(NC(=S)NNC(=O)c2ccnn2C)c1C 2802858 CTPHUDIQAUNFEO-UHFFFAOYSA-N 307.383 0.576 50 50 DCGA CC1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CCC1 408523705 UWVVOKZFZITIOK-NSHDSACASA-N 315.329 0.775 50 50 DCGA C[C@@H](Cl)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1875366471 MQVCKFCJDRDHPX-GHMZBOCLSA-N 324.830 0.267 50 50 DCGA CCCOc1cc(C(=O)NN)c(OCCC)cc1C(=O)NN 1875251664 BTCJOWBWLAYYQT-UHFFFAOYSA-N 310.354 0.471 50 50 DCGA Cc1ccc(OCC(=O)N/N=C2\C(=O)NC(=O)N=C2O)cc1 6812429 ZAJJYUGEVAEERK-UHFFFAOYSA-N 304.262 0.052 50 50 DCGA O=C(NCc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccccc21 3211345 CQIZKQLOXYNAGE-UHFFFAOYSA-N 322.324 0.775 50 50 DCGA C/C(=N/NC(=O)C(N)=O)c1ccc(NC(=O)C(F)(F)F)cc1 5020910 GEANFFXODMHSHU-FXBPXSCXSA-N 316.239 0.513 50 50 DCGA CCn1ncc(NC(=S)NNC(=O)Cn2nccc2C)c1C 2802299 AXQABCLSXBUEFV-UHFFFAOYSA-N 321.410 0.734 50 50 DCGA C/C(=N\NC(=O)CCN1CCN(C)CC1)c1ccc(O)cc1 19781765 GLWDMRIUEMHLMC-GHRIWEEISA-N 304.394 0.870 50 50 DCGA CC(C)CC(=O)NNS(=O)(=O)c1cnnn1-c1ccccc1 585086404 UBBHSXNCSLHXPF-UHFFFAOYSA-N 323.378 0.623 50 50 DCGA O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1c[nH]c2ccccc12 55705 APTSTZLMAKRZSY-FRKPEAEDSA-N 312.289 0.045 50 50 DCGA O=C1[C@H](Br)CS(=O)(=O)C[C@H]1Br 1722018 JUWPEGPRQKQUNF-QWWZWVQMSA-N 305.975 0.511 50 50 DCGA C#CCN(S(=O)(=O)CCl)S(=O)(=O)CBr 101080628 DXPKLXZFUJHXEK-UHFFFAOYSA-N 324.605 0.130 50 50 DCGA N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1cccc(F)c1 240706 WNARZJVQSFEHBW-SECBINFHSA-N 300.249 0.833 50 50 DCGA COc1cccc(CNC(=O)c2cccc(B(O)O)c2F)c1 169744668 AJUGNIRAOCTLGK-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(O)cc1O 100557099 OGKUOKGTWQKDTE-LBMJDHPKSA-N 304.306 0.450 50 50 DCGA O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccnc(C2CC2)n1 846390574 VGODDAVROTXTEE-CKYFFXLPSA-N 302.334 0.683 50 50 DCGA CCN(Cc1ccccc1)S(=O)(=O)c1cccc(B(O)O)c1 169744407 QZDYSNQDEYMZBN-UHFFFAOYSA-N 319.191 0.577 50 50 DCGA C[C@H](Cl)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1875380168 HCPILRMQHZHNNP-IUCAKERBSA-N 303.767 0.965 50 50 DCGA COc1cc(S(=O)(=O)NNC(=O)C2CCCC2)sn1 952883056 WEQVUUIYEVHEDA-UHFFFAOYSA-N 305.381 0.651 50 50 DCGA O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1 33356473 WXMQHPKQCPCDQO-UHFFFAOYSA-N 305.315 0.091 50 50 DCGA in-vitro Cc1nc(CC(=O)NN)sc1C(=O)NCc1ccccc1 1775972950 FVGKBZKWVRBKMP-UHFFFAOYSA-N 304.375 0.914 50 50 DCGA C[C@H]1CN(C(=O)[C@H](F)Cl)CCN1c1nccn2cnnc12 2325898100 SGXPNYOXKDMQRU-IUCAKERBSA-N 312.736 0.696 50 50 DCGA C=CCN(CC(=O)OCC)S(=O)(=O)CBr 43199314 OGTVNHAPXMGEJE-UHFFFAOYSA-N 300.174 0.720 50 50 DCGA COCCCNC(=S)NNC(=O)c1ccc2c(c1)OCO2 13483169 MJDFVDVCWYTLBO-UHFFFAOYSA-N 311.363 0.561 50 50 DCGA CCCn1nc(C(=O)NNc2c(C#N)c(C)nn2C)ccc1=O 1875349930 TXXDAZSOKURJRW-UHFFFAOYSA-N 315.337 0.324 50 50 DCGA Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239231201 VCLCYBCASZVNOJ-DOLQZWNJSA-N 324.358 0.696 50 50 DCGA CC(=O)O[C@@H]1[C@H](Cl)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 2522576 ZHEUAMUSDHNINO-BSOOIWJMSA-N 308.714 0.765 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100151693 JBCXRNUOOOKJMD-OXFWXOROSA-N 317.305 0.947 50 50 DCGA O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/CCc1ccccc1 3902490 GDBRUERZKJYYBC-MHWRWJLKSA-N 315.333 0.126 50 50 DCGA C[C@@H](Cl)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1875366472 MQVCKFCJDRDHPX-MNOVXSKESA-N 324.830 0.267 50 50 DCGA C[C@H](Cl)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 1875364682 QCXBCBFPUJBNOL-NSHDSACASA-N 320.784 0.938 50 50 DCGA Cn1c(CBr)c(Br)c(=O)n(C)c1=O 337091 YKAHBPISIPSWJM-UHFFFAOYSA-N 311.961 0.741 50 50 DCGA COc1ccc(CC(=O)NNC(=S)NC[C@H]2CCCO2)cc1 7067767 HTUZXNPOXINGQB-CYBMUJFWSA-N 323.418 0.912 50 50 DCGA COc1ccccc1CNC(=O)c1cc(F)cc(B(O)O)c1 169744027 RNOZRTLXNTYDTR-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA COc1ccc(/C=N\NC(=O)Nc2nonc2N)cc1OC 32609456 DZXAXKMBUKWIQW-NSIKDUERSA-N 306.282 0.825 50 50 DCGA O=S(=O)(NC1CCCC1)c1ccc(B(O)O)c2ccccc12 230552973 HAVGHXMORPHMEO-UHFFFAOYSA-N 319.191 0.741 50 50 DCGA O=C1CCCC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)N1 170618065 QTPCCCKQHFGYEK-LLVKDONJSA-N 320.305 0.415 50 50 DCGA COc1ccc(/C=N\NC(=O)c2nc([N+](=O)[O-])n[nH]2)cc1OC 36237424 YNFUDFUKDTVBKX-MLPAPPSSSA-N 320.265 0.494 50 50 DCGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(C)cc1 247695 JVZFFWGDNCFCIS-UKTHLTGXSA-N 303.282 0.696 50 50 DCGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(/C)c1cccc([N+](=O)[O-])c1 100064606 FRYYUCRGMMZORN-PWDRSIHYSA-N 317.305 0.947 50 50 DCGA COc1cccc(CO[C@@H](C)C(=O)N/N=c2/cc[nH]n2C)c1 225399471 BOBKDTXQTKCWSE-KFZGLNKMSA-N 304.350 0.899 50 50 DCGA C[C@@H](Cl)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1875378042 UTBUSVJDWZPPTF-SNVBAGLBSA-N 308.831 0.335 50 50 DCGA O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccnc(C2CC2)n1 846390576 VGODDAVROTXTEE-JFGNBEQYSA-N 302.334 0.683 50 50 DCGA COC(=O)[C@H]1C(=O)c2ccccc2CCC2=C1C(=O)OC2=O 100695967 DODSHRJSDBEVRT-GFCCVEGCSA-N 300.266 0.985 50 50 DCGA CCOc1cccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)c1O 100609514 OCESZXYIZXWRQU-FNQVVVRFSA-N 318.333 0.753 50 50 DCGA NNC(=O)[C@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O 1406478 FASAGEUJTYPSKH-HNNXBMFYSA-N 311.341 0.949 50 50 DCGA O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C3CCCC[C@@]32[C@@H]2C(=O)OC(=O)[C@@H]12 254895788 CTMNMKNVTBAOON-IIOLQAKLSA-N 302.282 0.748 50 50 DCGA CCO[Si](CCCN(CCO)CCO)(OCC)OCC 170173781 IYAYDWLKTPIEDC-UHFFFAOYSA-N 309.479 0.712 50 50 DCGA O=C(CBr)OCCOC(=O)CBr 1628082 WGHAPLWNJPAJDE-UHFFFAOYSA-N 303.934 0.863 50 50 DCGA COCC(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1OC 5041692 ZIGIFVRRRKRMMX-UHFFFAOYSA-N 314.323 0.567 50 50 DCGA Cc1ccc(S(=O)(=O)NCc2ccccc2)c(B(O)O)c1 169746212 HHRKXIUUPXKKLE-UHFFFAOYSA-N 305.164 0.153 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1 100589204 BUAOBFFZPATDHN-OVCLIPMQSA-N 302.290 0.189 50 50 DCGA C[C@H](Cl)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1875378041 UTBUSVJDWZPPTF-JTQLQIEISA-N 308.831 0.335 50 50 DCGA Cc1nn(C)c(NNC(=O)c2ccccc2-n2ccnn2)c1C#N 1875349861 QBBIYWYKDIGRBY-UHFFFAOYSA-N 322.332 0.938 50 50 DCGA CN1C(=O)/C(=C/C(=O)O)S/C1=N/NC(=O)OC(C)(C)C 1206971 RZGZXESHXYLYDL-ZCRLHDOISA-N 301.324 0.956 50 50 DCGA COc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1 6230497 MOLRFLIKQXGPSN-UHFFFAOYSA-N 313.379 0.086 50 50 DCGA COc1ccc(CNC(=O)c2cccc(B(O)O)c2F)cc1 169744660 HEDWPCJGULMUJC-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA C[C@H](Cl)C(=O)NCCS(=O)(=O)NCc1ccccc1 1875363540 IKIPZFDYQJIYPH-JTQLQIEISA-N 304.799 0.850 50 50 DCGA O=C([C@H](F)Cl)N1CC[C@@H](n2nnnc2C(F)(F)F)C1 2325898683 SMVBSGBEWBXBQL-UHNVWZDZSA-N 301.631 1.000 50 50 DCGA CCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1 169744080 GHNNKMBCFIAUBL-UHFFFAOYSA-N 319.191 0.577 50 50 DCGA C=CCNC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2549845 AFIMVRKEPNVWBN-UHFFFAOYSA-N 310.335 0.655 50 50 DCGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C3CCCC[C@]32[C@H]2C(=O)OC(=O)[C@@H]21 254895795 CTMNMKNVTBAOON-MFBGQTCZSA-N 302.282 0.748 50 50 DCGA COc1cccc(/C=N/NC(=O)c2ccc(O)nn2)c1OC 434947 URSCVWOWDKZIER-OVCLIPMQSA-N 302.290 0.963 50 50 DCGA COc1ccc2oc(=O)c(C(=O)NNC(=O)CC#N)cc2c1 2932206 OVIXFSBBJXFXGA-UHFFFAOYSA-N 301.258 0.476 50 50 DCGA CN1CCN(CCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CC1 291531 KGFJZPLAOUYGRA-FOWTUZBSSA-N 319.365 0.682 50 50 DCGA CCN1CCN(c2cc(B(O)O)cc(C(F)(F)F)c2)CC1 230539841 KLTZCTRDFVAVEN-UHFFFAOYSA-N 302.105 0.527 50 50 DCGA O=C(CCl)NCCS(=O)(=O)NCc1ccc(F)cc1 1875364853 WEMCETVLHJIULK-UHFFFAOYSA-N 308.762 0.600 50 50 DCGA Cc1cc(-c2nnc(SCC(=O)NN)n2CC(C)C)nn1C 2534213 ADDZLDJFOGBCCV-UHFFFAOYSA-N 323.426 0.725 50 50 DCGA Cc1cccc(NCc2nnc(SCC(=O)NN)n2C)c1 34925120 KWSNOPWMSDHAMH-UHFFFAOYSA-N 306.395 0.818 50 50 DCGA CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCl)CC1 1875374997 NEHHLIORFKVERF-UHFFFAOYSA-N 318.773 0.743 50 50 DCGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2nc(O)[nH]c(=O)c21 36752 OBFYFFSIDFKAEO-JTQLQIEISA-N 312.285 0.702 50 50 DCGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 6655161 DYRGKCGTIILQQH-QMMMGPOBSA-N 312.351 0.877 50 50 DCGA COCc1noc(C2(NC(=O)[C@@H](C)Cl)CCOCC2)n1 1875377952 SAOHVRJMNOURDF-MRVPVSSYSA-N 303.746 0.965 50 50 DCGA Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NN)CC2)c1 13320106 LFVNAMJYTSZXJL-UHFFFAOYSA-N 311.407 0.694 50 50 DCGA CC(=O)O[C@@H]1[C@@H](N=C=S)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 4521876 RCHZRAFPHKCWRI-WYUUTHIRSA-N 317.319 0.241 50 50 DCGA O=C(CCl)NC[C@@]1(CO)COCCN1Cc1ccccc1 1875366453 KWKWWONNGUHLIE-OAHLLOKOSA-N 312.797 0.605 50 50 DCGA C[C@@H](Cl)C(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 1875380271 KIKGOIXFNLJQBD-MNOVXSKESA-N 320.817 0.725 50 50 DCGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccnc2)C1 13321224 WMIVWXXKRBKFHZ-RKPNYOAGSA-N 324.406 0.593 50 50 DCGA CN(C)c1nc(O)cc(C(=O)NNC(=O)c2ccccc2O)n1 170596503 FCZCPCIOHYWLPW-UHFFFAOYSA-N 317.305 0.029 50 50 DCGA CNC(=S)NNC(=O)[C@@H](C)Cn1cc(Br)cn1 2792241 LGAVBMYLLHVJIG-LURJTMIESA-N 320.216 0.407 50 50 DCGA COc1ccccc1C(=O)NNC(=O)C(=O)N1CCCCC1 2921478 ZJNZARCUUXMMJA-UHFFFAOYSA-N 305.334 0.469 50 50 DCGA CCOC(Cn1ccnc1-c1cncc(B(O)O)c1)OCC 170002108 QLALFSJPQMAANL-UHFFFAOYSA-N 305.143 0.024 50 50 DCGA C[C@@H](Cl)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1875363758 XZDHGKXZOCUACC-SECBINFHSA-N 308.773 0.639 50 50 DCGA CNC(=S)NNC(=O)c1c(Br)c(C)nn1C 2792387 AVFUKCJCKPEJQU-UHFFFAOYSA-N 306.189 0.230 50 50 DCGA C[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 1875375990 LGZFCQAOKJVDNL-IYYTYJHQSA-N 310.785 0.968 50 50 DCGA COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(OC)c1OC 2909912 LGVFNWXKBHMYNT-LZYBPNLTSA-N 323.349 0.687 50 50 DCGA O=C(O)/C=C/C(=O)NNC(=O)c1cccc(Br)c1 2697442 MLQRBLYQVYZPER-SNAWJCMRSA-N 313.107 0.851 50 50 DCGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 6939098 FUYNIGOGNSKGJE-QMMMGPOBSA-N 311.363 0.698 50 50 DCGA Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225583772 VCLCYBCASZVNOJ-KYXWUPHJSA-N 324.358 0.696 50 50 DCGA COc1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1 195370 ZFPMOAXWUFVQJL-UHFFFAOYSA-N 302.290 0.325 50 50 DCGA COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccn1 2903481 DVLRLULLJVOITB-VXLYETTFSA-N 312.329 0.857 50 50 DCGA C[C@@H](Cl)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1875376159 NPCLXGUNFUTBJM-NXEZZACHSA-N 308.831 0.934 50 50 DCGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc[n+](CCO)cc1 436480 BXOXLRFJOJIPNW-UHFFFAOYSA-O 315.309 0.639 50 50 DCGA CCC(CC)(NC(=O)C1CN(C(=O)[C@H](C)Cl)C1)C(N)=O 1875375993 LHELNQGIPQVCDQ-QMMMGPOBSA-N 303.790 0.232 50 50 DCGA COc1nn(C)cc1C(=O)NNc1ccc(-n2ccnc2)nn1 1875312445 COTRBVRXFZXMGW-UHFFFAOYSA-N 314.309 0.161 50 50 DCGA COC(=O)[C@@]12C[C@@](OC)(c3ccccc31)[C@H]1C(=O)OC(=O)[C@H]12 257356759 KDAUQUQORHSGTB-KTQGLZRJSA-N 302.282 0.672 50 50 DCGA O=C(CNC(=O)NCc1ccco1)N/N=C/c1cccc(O)c1 2141341 FDRKRCQVWCNFCN-QGMBQPNBSA-N 316.317 0.935 50 50 DCGA O=C(CCl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 3885230 BCKSUCMCPBJYRS-UHFFFAOYSA-N 318.782 0.885 50 50 DCGA O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@H]2I 100987642 NHGLFZIQXAGSGN-VXGWJHEQSA-N 308.071 0.682 50 50 DCGA COc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1 17360613 IPRHIJUWEPWMCY-YBFXNURJSA-N 312.329 0.857 50 50 DCGA COc1ccc(CN2CCC[C@H](C(=O)NN)C2)c(OC)c1OC 4950053 KORYWSWCJJDJBD-LBPRGKRZSA-N 323.393 0.914 50 50 DCGA Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCl 85389131 MNVCYQCZROSZGQ-GFCCVEGCSA-N 323.780 0.889 50 50 DCGA CCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551203 KYCZEVOXCHHKNF-UHFFFAOYSA-N 303.318 0.805 50 50 DCGA COC(=O)c1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1 169746241 KQMBSTUEOCJFKS-UHFFFAOYSA-N 319.122 0.891 50 50 DCGA in-vitro O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744254 PTVHSOBABJUMCH-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA O=C(NNS(=O)(=O)c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 5493889 OZYKAPYUXWUNEV-NWDGAFQWSA-N 324.358 0.663 50 50 DCGA O=S(=O)(c1ccccc1)n1ccc2cccc(B(O)O)c21 169903346 NJBMQFFUJSTNKL-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2nonc2N)c(O)c1 94277 NGDIIDSPJHPGNY-LZYBPNLTSA-N 318.337 0.968 50 50 DCGA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)cc(B(O)O)c1 169744146 AASCKCSOIJNKDE-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B(O)O)CC1 197861877 LDSVTZZAFJBGCI-UHFFFAOYSA-N 320.198 0.419 50 50 DCGA NNC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl 252507605 WPEWNCYBLKLSDA-UHFFFAOYSA-N 306.149 0.868 50 50 DCGA CN(C)c1ccc(/C=N\NC(=O)c2nc([N+](=O)[O-])n[nH]2)cc1 32678402 SSXQSHORRLVXNJ-QPEQYQDCSA-N 303.282 0.543 50 50 DCGA CCOCCCNC(=S)NNC(=O)CCn1cc(C)cn1 2793776 JPUSHZSLTJMSPG-UHFFFAOYSA-N 313.427 0.504 50 50 DCGA O=C(NNC(=O)c1cn2c(n1)CCCC2)NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 1875304832 WLLZVBXHXNGXTC-GWOFURMSSA-N 315.377 0.818 50 50 DCGA O=S(=O)(c1cc(B(O)O)cc(C(F)(F)F)c1)N1CCCC1 170002385 UAHPODFMFQIAOQ-UHFFFAOYSA-N 323.101 0.170 50 50 DCGA CCOC(=O)NNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] 585119524 JQEZVAAIPYNZDL-UHFFFAOYSA-N 321.286 0.982 50 50 DCGA Nc1nonc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2892619 DEZZFCNZMKCLAE-QLKAYGNNSA-N 320.221 0.053 50 50 DCGA CCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1 170595997 VSTBCKAFEUTHJO-UHFFFAOYSA-N 315.333 0.677 50 50 DCGA CC(C)n1nc(C(=O)NNC(=O)CCl)c2ccccc2c1=O 1875374666 BZLQOJCCIKKIPG-UHFFFAOYSA-N 322.752 0.977 50 50 DCGA COc1ccc(NS(=O)(=O)c2ccc(B(O)O)cc2)cc1 169744022 XVGMZBGKTWDTPZ-UHFFFAOYSA-N 307.136 0.176 50 50 DCGA COc1ccc(NC(=O)C(=O)NN=C2CCN(C)CC2)cc1 55433425 WNWRXDYJRSCOKA-UHFFFAOYSA-N 304.350 0.832 50 50 DCGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C3CCCC[C@]32[C@@H]2C(=O)OC(=O)[C@H]12 254895793 CTMNMKNVTBAOON-KUCYWYPVSA-N 302.282 0.748 50 50 DCGA Cc1cc(B(O)O)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 169989537 GHPCJQQHZGRNDJ-UHFFFAOYSA-N 321.186 0.127 50 50 DCGA CCN(CC)C(=O)CCC(=O)NNc1c(C#N)c(C)nn1C 1875349634 GMPVEBSJGFBXED-UHFFFAOYSA-N 306.370 0.692 50 50 DCGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccncc2)cc1 2553763 LRYBUOMNCFIVHM-VXLYETTFSA-N 312.329 0.970 50 50 DCGA CC(C)C(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100702704 IWURURAPJNEBGF-UHFFFAOYSA-N 303.318 0.661 50 50 DCGA COCC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 408516045 GHAAXGZNJPPHRQ-JTQLQIEISA-N 315.370 0.427 50 50 DCGA Cn1c(=O)n(CCCCl)c(=O)c2c1nc1n2CCS1 2024460 XPIRZKQJPOKSAV-UHFFFAOYSA-N 300.771 0.631 50 50 DCGA COc1ccccc1OCC(=O)NNC(=O)c1cnccn1 213483 XTMCJSGRXDMWEA-UHFFFAOYSA-N 302.290 0.325 50 50 DCGA O=C1C=CC(=O)N1CCSSCCN1C(=O)C=CC1=O 2387162 SGVWDRVQIYUSRA-UHFFFAOYSA-N 312.372 0.218 50 50 DCGA C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](O)[C@@H]12 95911433 JNRJLCSYIQFLDS-DKLFCYGSSA-N 314.765 0.372 50 50 DCGA biogenic,in-vitro COc1cc(Br)c(B(O)O)cc1Br 169746403 FCCYYRNIKBYUQR-UHFFFAOYSA-N 309.750 0.900 50 50 DCGA in-vitro O=C(NC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@H]12)c1ccccc1 242581727 OCVHZCGHZYMSDT-KZTGVZKYSA-N 301.298 0.664 50 50 DCGA CNC(=S)/C(C#N)=C(\N)N1CCN(c2ccccn2)CC1 1385831 RIJTVRNNVCXMRT-ACCUITESSA-N 302.407 0.444 50 50 DCGA CN1CCN(CCCOc2ccc(B(O)O)cc2Cl)CC1 230557688 KNBGKBMRGHYRKM-UHFFFAOYSA-N 312.606 0.036 50 50 DCGA Cc1ccc(F)c(S(=O)(=O)NCCNC(=O)CCl)c1 1875377159 AJRKJYFBHCCQAG-UHFFFAOYSA-N 308.762 0.767 50 50 DCGA O=C(O)CCC(=O)NNC(=O)COc1cccc(Cl)c1 2878076 KQFRDADOFVVHMD-UHFFFAOYSA-N 300.698 0.731 50 50 DCGA Cn1cc(Cl)c(C(=O)NNC(=S)NCc2ccco2)n1 13471290 OYOLDQNQHXCZGD-UHFFFAOYSA-N 313.770 0.976 50 50 DCGA COC(=O)[C@@H]1C(=O)c2ccccc2CCC2=C1C(=O)OC2=O 100695969 DODSHRJSDBEVRT-LBPRGKRZSA-N 300.266 0.985 50 50 DCGA C/C(NN1CCN(C)CC1)=C(\C#N)C(=O)NCc1ccccc1 31969685 QARFGTDDGHGHOY-PEZBUJJGSA-N 313.405 0.852 50 50 DCGA C[C@@H]1CN(C(=O)[C@@H](F)Cl)CCN1c1nccn2cnnc12 2325898101 SGXPNYOXKDMQRU-RKDXNWHRSA-N 312.736 0.696 50 50 DCGA C[C@H](Cl)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1875363638 OQSRWCBRMKWIMT-LBPRGKRZSA-N 324.812 0.864 50 50 DCGA C[C@H](NC(=S)NNC(=O)c1c(N)cnn1C)c1ccccc1 2794771 OZGPUQMUDKNCLD-VIFPVBQESA-N 318.406 0.872 50 50 DCGA O=C(CCl)N[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21 1875375335 ZUJLKXKOTDAPCA-QMMMGPOBSA-N 304.711 0.778 50 50 DCGA CN1CCN(CCC(=O)N/N=C/c2ccc3c(c2)OCO3)CC1 19535941 VQOXUDJSEYYVMB-GZTJUZNOSA-N 318.377 0.503 50 50 DCGA COCCOC(=O)c1c(C)oc2ccc(OCC(=O)NN)cc12 1799107 MXGSGKLBTWEKNJ-UHFFFAOYSA-N 322.317 0.913 50 50 DCGA biogenic O=C(N[C@H](CO)[C@H](O)c1cccc([N+](=O)[O-])c1)C(Cl)Cl 2540730 FTMJFHVKAXPFIY-RKDXNWHRSA-N 323.132 0.909 50 50 DCGA in-vitro CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccoc2)C1 13320823 AHYYSBJESQIHQC-ZBQKXELDSA-N 313.379 0.791 50 50 DCGA Cc1c(/C=N/NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)cnn1C 2786075 JZUUXOZTXDVNIK-LPQZUGQSSA-N 319.325 0.620 50 50 DCGA Cc1nc(C(=O)NN(C)C[C@H](C)O)nn1-c1ccc(F)cc1 585088356 XLVGOXOAZIURFP-VIFPVBQESA-N 307.329 0.672 50 50 DCGA Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3ncccc32)cc1 206043179 XEVJDIUVZSYHGD-UHFFFAOYSA-N 316.147 0.262 50 50 DCGA CC(C)=NNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4016315 LKUGBILJSZCLMS-UHFFFAOYSA-N 314.323 0.385 50 50 DCGA C[C@H](Cl)C(=O)N1C[C@H](C(=O)NC2CC2)[C@@H](c2cn(C)cn2)C1 1875367023 MNMWPSLQWAUUBN-DLOVCJGASA-N 324.812 0.868 50 50 DCGA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C(C#N)=C(N)O2 62535 GHPDNXCPOJJGFF-NSHDSACASA-N 310.313 0.302 50 50 DCGA CCCNS(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1 169934953 ASODGCPJAVWBFD-UHFFFAOYSA-N 311.090 0.074 50 50 DCGA CNC(=S)NNC(=O)COc1ccc(Br)cc1 7058838 PXFJNXFUDHVGQN-UHFFFAOYSA-N 318.196 0.953 50 50 DCGA O=C(CCl)N1C[C@H]2COCC[C@@]2(C(=O)N2CCCC2)C1 1875375152 SESMJYURWILWCF-SMDDNHRTSA-N 300.786 0.713 50 50 DCGA C[C@@H](Cl)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1875303988 VRMATOQNRUVKON-PHDIDXHHSA-N 310.725 0.552 50 50 DCGA CNC(=S)N(C)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 497075125 WVZPHFPESOQYIS-MRVPVSSYSA-N 302.400 0.463 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100557113 IHSYDYLCLDWYSJ-AAWHYMEISA-N 317.305 0.947 50 50 DCGA Cn1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)n1 2325766679 RXFDQJXWVFYWSV-NEPJUHHUSA-N 315.333 0.354 50 50 DCGA Cc1cccc(C(=O)NNC(=O)c2ccc3c(n2)CCOC3)n1 2325798642 LUXXFVJNOLSAHV-UHFFFAOYSA-N 312.329 0.933 50 50 DCGA C=CCNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 245255018 DQAFLSOTUMKUOY-AIGBEWNKSA-N 300.152 0.860 50 50 DCGA O=C(CCl)OCCNC1=NS(=O)(=O)c2ccccc21 6283395 TVLHLHJZWXRACF-UHFFFAOYSA-N 302.739 0.507 50 50 DCGA O=C1N=C(O)N=C(O)/C1=N\NC(=O)c1cc(Cl)ccc1O 6974333 KTOKLMLNQNTHND-UHFFFAOYSA-N 310.653 0.542 50 50 DCGA CCOc1cc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)ccc1O 100621750 YQWLLTDDXWXDID-FNQVVVRFSA-N 318.333 0.753 50 50 DCGA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(B(O)O)c(F)c1 169744637 ZNBOGMYFEAVWOI-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)CCl)CC(=O)N1C 1875375193 USMLCMZCJRHIRX-YGRLFVJLSA-N 312.801 0.911 50 50 DCGA CCOC(=O)NN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 526549 WTLHWKARZNFXSG-LLVKDONJSA-N 307.306 0.578 50 50 DCGA C[C@@]1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCCNC1=O 375430125 WCOTUOJQBGIUEV-CYBMUJFWSA-N 307.741 0.966 50 50 DCGA O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(F)cc1 13281351 QVICBOQERWOGAH-DJKKODMXSA-N 300.293 0.987 50 50 DCGA CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2)CC1 169934989 BXGOBSWUEXKOIH-UHFFFAOYSA-N 306.171 0.424 50 50 DCGA in-vitro CNS(=O)(=O)c1ccc(C(=O)NCC(Cl)Cl)cn1 408520223 VKDFKUYZEQDGBV-UHFFFAOYSA-N 312.178 0.523 50 50 DCGA COCCNC(=S)NNC(=O)Cc1ccccc1[N+](=O)[O-] 2852328 FSQPTMGJEARLHC-UHFFFAOYSA-N 312.351 0.279 50 50 DCGA O=C(NNC(=O)c1ccncc1)C(=O)Nc1cccc(O)c1 5714178 FJLJVVBCEMYGIU-UHFFFAOYSA-N 300.274 0.187 50 50 DCGA COc1ccccc1CNC(=O)c1ccc(B(O)O)c(F)c1 169744544 GEDVZFBFTZNUSV-UHFFFAOYSA-N 303.098 0.444 50 50 DCGA C[C@@H](Cl)C(=O)N1C[C@H](C(=O)NC2CC2)[C@@H](c2cn(C)cn2)C1 1875367024 MNMWPSLQWAUUBN-USWWRNFRSA-N 324.812 0.868 50 50 DCGA COCc1noc(C2(NC(=O)[C@H](C)Cl)CCOCC2)n1 1875377953 SAOHVRJMNOURDF-QMMMGPOBSA-N 303.746 0.965 50 50 DCGA Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3ccccc32)cc1 169844648 XADMCCFJOAXDPE-UHFFFAOYSA-N 315.159 0.867 50 50 DCGA in-vitro O=C(CCC(=O)N/N=C/c1ccncc1)N/N=C\c1ccncc1 32143047 XAIBCZDPUQBVAL-UHWBUFEVSA-N 324.344 0.857 50 50 DCGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(C(=O)O)cc21 170010666 AFFUEKZAHJTIQR-UHFFFAOYSA-N 305.095 0.803 50 50 DCGA COc1ccc(CNC(=O)c2ccc(Cl)c(B(O)O)c2)cc1 169744636 AXWUFBJJYNZBLM-UHFFFAOYSA-N 319.553 0.958 50 50 DCGA Cc1nnnn1CC(=O)C(C#N)=C1N(C)c2ccccc2N1C 154612149 GPYBYMOORBLQTD-UHFFFAOYSA-N 309.333 0.872 50 50 DCGA COc1cccc(CO[C@H](C)C(=O)N/N=c2/cc[nH]n2C)c1 225399431 BOBKDTXQTKCWSE-YOEHMKRZSA-N 304.350 0.899 50 50 DCGA CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC(C)(C)C1 584993924 VPPGBUXZMDRSQR-CQSZACIVSA-N 305.183 0.786 50 50 DCGA O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CNC[C@H]1Cl 1875349882 RBRZPWPQCZKRPA-SFYZADRCSA-N 305.743 0.452 50 50 DCGA NS(=O)(=O)c1cnn(-c2ccc(NC(=O)CCl)cn2)c1 1875374785 FCVQVQTXHYSMLG-UHFFFAOYSA-N 315.742 0.092 50 50 DCGA C[C@@H](Cl)C(=O)N1CCc2nc(N3CCOCC3)ncc2C1 1875380075 DMIVKRPZTSTMFM-SNVBAGLBSA-N 310.785 0.825 50 50 DCGA Cc1ccc(S(=O)(=O)NCc2ccc(B(O)O)cc2)cc1 404989338 UWOZSPDXINSXKA-UHFFFAOYSA-N 305.164 0.153 50 50 DCGA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)c(B(O)O)c1 169744367 MTQQOSSMDAQKRY-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA O=C1[C@H](Br)CS(=O)(=O)C[C@@H]1Br 1722017 JUWPEGPRQKQUNF-ZXZARUISSA-N 305.975 0.511 50 50 DCGA O=C(NC[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@H]12)c1ccccc1 242581728 OCVHZCGHZYMSDT-LSSIXWDNSA-N 301.298 0.664 50 50 DCGA CN1C(=O)/C(=C\C(=O)O)S/C1=N/NC(=O)OC(C)(C)C 5669248 RZGZXESHXYLYDL-HFACTSAFSA-N 301.324 0.956 50 50 DCGA C[C@H]1c2ccccc2O[C@H]1CC(=O)NNC(=O)c1cn(C)nn1 2325780505 MZIGTFXYPWNFME-ZANVPECISA-N 315.333 0.531 50 50 DCGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O 12343239 XGSLUVVSOPYNSC-KPKJPENVSA-N 305.254 0.093 50 50 DCGA O=C(O)COc1ccc(/C=N/NC(=O)c2cnccn2)cc1 4230026 JINVOXZCBMHMGU-REZTVBANSA-N 300.274 0.704 50 50 DCGA O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 113389 WIIZWVCIJKGZOK-DTWKUNHWSA-N 323.132 0.909 50 50 DCGA biogenic,world O=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1 85389114 FHJAOUSLJPCTIJ-LLVKDONJSA-N 309.753 0.581 50 50 DCGA COCCNC(=S)NNC(=O)[C@]1(C)CC1(Cl)Cl 2857575 WRSSVXDEZPLGGD-QMMMGPOBSA-N 300.211 0.712 50 50 DCGA OB(O)c1ccc(CN2CCC3(CC2)OCCO3)c(Cl)c1 230547226 IIZSCOCRIMLYGC-UHFFFAOYSA-N 311.574 0.359 50 50 DCGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccoc2)C1 13320825 AHYYSBJESQIHQC-ACLQVGRQSA-N 313.379 0.791 50 50 DCGA COCc1noc(CN2CCN(C(=O)[C@@H](C)Cl)CC2)n1 1875377879 QCLUUJLYQIJJCW-SECBINFHSA-N 302.762 0.488 50 50 DCGA C[C@@H]1[C@@H](C(=O)NNc2ccc3ccccc3n2)[C@@H](O)C(=O)N1C 952994220 XLHZAISCFUZSAI-OWYVNGRQSA-N 314.345 0.516 50 50 DCGA Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225583790 VCLCYBCASZVNOJ-IMSYWVGJSA-N 324.358 0.696 50 50 DCGA CC(C)(C)OC(=O)N1CCN(c2ccccc2B(O)O)CC1 169935004 CVTSGDSTXRXWPI-UHFFFAOYSA-N 306.171 0.424 50 50 DCGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@H]2O)[C@@H](O)[C@H]1O3 196064075 OKOJQWNGVURXGG-XMMIMYMLSA-N 304.415 0.579 50 50 DCGA C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)Cc1ccccc1 22023111 AJRVISMZMDWJQB-LCYFTJDESA-N 303.282 0.316 50 50 DCGA C[C@H](O)CC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6398965 UNNIBIZGRNNSAB-QMMMGPOBSA-N 311.363 0.546 50 50 DCGA CC(C)(O)C(=O)NNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1296524729 PLVSJDMODMKYQB-UHFFFAOYSA-N 315.713 0.709 50 50 DCGA Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCl 1875375100 RBRKNTSUYQKHBB-UHFFFAOYSA-N 318.786 0.288 50 50 DCGA CCOC1CC(CNC(=O)[C@H](C)Cl)(N2CCOCC2)C1 1875377549 GZSPDAMOUBSTPN-DCBWTQNWSA-N 304.818 1.000 50 50 DCGA COc1ccccc1C(=O)NNC(=O)CCN1CC[C@H](F)C1 1616037956 QZYPATYRLDBGBA-NSHDSACASA-N 309.341 0.890 50 50 DCGA COc1ccc(Br)c(B(O)O)c1Br 169743919 CCRLWBYZCYCUAK-UHFFFAOYSA-N 309.750 0.900 50 50 DCGA in-vitro COc1nn(C)cc1C(=O)NNC(=O)Cc1ccc(F)cc1 1457498622 QMWGIECLAHYJTA-UHFFFAOYSA-N 306.297 0.572 50 50 DCGA COC(=O)c1c(F)cccc1NNC(=O)[C@H]1CCCC(=O)N1 818026091 AHIUNNORZFDSQS-SNVBAGLBSA-N 309.297 0.724 50 50 DCGA COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)CCl 3882562 WMSZAZJMNQNIFY-KXUCPTDWSA-N 302.758 0.427 50 50 DCGA O=C(CCl)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 1875375216 VLSYFMIXPPVUCB-JTQLQIEISA-N 302.783 0.805 50 50 DCGA COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)CCl 3882564 WMSZAZJMNQNIFY-LPEHRKFASA-N 302.758 0.427 50 50 DCGA O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc2c(c1)OCO2 32633808 HFTLNFNXDVRCSC-XAXWUXFESA-N 319.317 0.161 50 50 DCGA CCn1ncc(NC(=S)NNC(=O)c2cc(C)nn2C)c1C 2802217 ZYDJAHJOUSEFJS-UHFFFAOYSA-N 321.410 0.885 50 50 DCGA Cn1/c(=N\NC(=O)NC[C@H]2COCCO2)sc2ccccc21 222121631 UJKXPQGWXLDLNR-KDSBZSBUSA-N 322.390 0.770 50 50 DCGA O=C(NC[C@@]12CC[C@@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1 242581726 OCVHZCGHZYMSDT-AZKPJATDSA-N 301.298 0.664 50 50 DCGA COCc1nc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)co1 170599694 AKRRFYAPDQSJKP-UHFFFAOYSA-N 320.261 0.804 50 50 DCGA Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1B(O)O 169745606 VFDVOIFZPBZUIB-UHFFFAOYSA-N 305.164 0.153 50 50 DCGA in-vitro O=C(NCCS(=O)(=O)N1CCSCC1)[C@H](F)Cl 2325897960 NXQNUBNCEXPZGP-ZETCQYMHSA-N 304.796 0.016 50 50 DCGA CN(C)S(=O)(=O)[C@@H]1CN(C(=O)CCl)C[C@H]1C(F)(F)F 1875378153 WMECPTHNQCLJHI-RNFRBKRXSA-N 322.736 0.506 50 50 DCGA CCN(c1ccccc1)S(=O)(=O)c1cccc(B(O)O)c1 169744382 IJGJOGHWZWPSQE-UHFFFAOYSA-N 305.164 0.582 50 50 DCGA O=C(CSc1nnc(=O)[nH]c1O)N/N=C/c1ccccc1 8687320 TUVZFKCFFQRYBB-AWNIVKPZSA-N 305.319 0.113 50 50 DCGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccc(O)c1 8973159 XQKKIFDFDGWEMW-SNVBAGLBSA-N 303.343 0.949 50 50 DCGA COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 13281358 WPGJSXZORQMDHI-VXLYETTFSA-N 312.329 0.857 50 50 DCGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C1/C(=O)Nc2ccccc21 100573365 WUHLYCDGOYZWIL-SECBINFHSA-N 313.317 0.361 50 50 DCGA COC(=O)[C@@]12C[C@@](OC)(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@@H]12 216467008 KDAUQUQORHSGTB-LZJQFABFSA-N 302.282 0.672 50 50 DCGA C[C@H](Cl)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1875303990 VRMATOQNRUVKON-WDSKDSINSA-N 310.725 0.552 50 50 DCGA CN1CCN(CCC(=O)N/N=C/c2ccc(O)cc2O)CC1 19771083 PNIZVYJHBNOEAD-LFIBNONCSA-N 306.366 0.185 50 50 DCGA O=S(=O)(Nc1cccc(Cl)c1)c1ccc(B(O)O)cc1 169747472 RFMJCHDJLPORGS-UHFFFAOYSA-N 311.555 0.821 50 50 DCGA in-vitro COc1cc(B(O)O)c(Br)cc1Br 169745562 GOAYGALQWXVCFY-UHFFFAOYSA-N 309.750 0.900 50 50 DCGA in-vitro O=Cc1cc(C(=O)N2CC[C@H](c3ccccn3)C2)ccc1B(O)O 2325873665 PEDOMJHZWPNXMT-ZDUSSCGKSA-N 324.145 0.204 50 50 DCGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1cnccn1 296426 BJKVWPRATDOGGC-UHFFFAOYSA-N 306.709 0.970 50 50 DCGA COC(=O)NNS(=O)(=O)c1ccc(Br)cc1 298993 MPZIQOJVFNIPBA-UHFFFAOYSA-N 309.141 0.998 50 50 DCGA O=C(NCCc1ccccc1)c1ccc(B(O)O)c(Cl)c1 169744480 NNROXHQBKXXVOO-UHFFFAOYSA-N 303.554 0.992 50 50 DCGA C[C@H](Cl)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1875364446 MSKGBYIZNLBIRU-VIFPVBQESA-N 321.786 0.276 50 50 DCGA N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=O 4854710 RRZDIMJCOKHBTR-XFFZJAGNSA-N 302.290 0.824 50 50 DCGA CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(B(O)O)c2)CC1 217045398 GWAKELOEPKIQCL-UHFFFAOYSA-N 324.161 0.563 50 50 DCGA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(B(O)O)c1 169744077 PFRASZXFGUHQOZ-UHFFFAOYSA-N 304.042 0.666 50 50 DCGA O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc2c(c1)OCO2 32633811 HFTLNFNXDVRCSC-OWHAOFTHSA-N 319.317 0.161 50 50 DCGA CN1CCN(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)CC1 32666317 AXSIMTJRNRQFGI-GDNBJRDFSA-N 305.338 0.292 50 50 DCGA O=S(=O)(c1ccccc1)n1c(B(O)O)cc2ccccc21 169743683 HXWLCYMHOULBJZ-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA in-vitro Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23CCC[C@]12[C@H]3Br 254869690 YIZUZQSNJNNZPK-GOTDPSQWSA-N 324.178 0.948 50 50 DCGA CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)CCl 1875377743 MMBCQICZXXRBGG-UHFFFAOYSA-N 324.761 0.549 50 50 DCGA CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H]1OC(=O)O[C@H](C=O)[C@H]1O 169794839 AEXMDEVMJUZKHX-DBIOUOCHSA-N 320.414 0.833 50 50 DCGA O=C(CCCI)ON1C(=O)CCC1=O 116639166 BYWACWRZEYWNAI-UHFFFAOYSA-N 311.075 0.809 50 50 DCGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 5295215 RZNZAICNSXDVAD-JTQLQIEISA-N 311.257 0.896 50 50 DCGA CCN1CCN(c2ccc(C(F)(F)F)cc2B(O)O)CC1 230526467 ZPMRJNCMJHITAE-UHFFFAOYSA-N 302.105 0.527 50 50 DCGA CNS(=O)(=O)c1ccc(C(=O)NCCCSC#N)cn1 408522311 HKZXVOPZBVPCDG-UHFFFAOYSA-N 314.392 0.324 50 50 DCGA COc1ccc(OC)c(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1 13113608 NNXXJUKCUXSZRL-NVNXTCNLSA-N 302.290 0.551 50 50 DCGA O=C(C[C@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1 85389117 FHJAOUSLJPCTIJ-NSHDSACASA-N 309.753 0.581 50 50 DCGA O=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2I 239164990 NHGLFZIQXAGSGN-FQGZZYRYSA-N 308.071 0.682 50 50 DCGA CC(C)Cn1ncnc1COc1cccc(B(O)O)c1C=O 2325825919 HUIMTFLLSVYSMO-UHFFFAOYSA-N 303.127 0.005 50 50 DCGA Cc1nccn1CCCCOc1cccc(B(O)O)c1C=O 2325826261 VYVGPKMAHMMGKC-UHFFFAOYSA-N 302.139 0.543 50 50 DCGA O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(F)cc1 8379040 OEUIXWPXVDCNJQ-UHFFFAOYSA-N 302.265 0.620 50 50 DCGA Cc1nc(C(=O)NN(C)C[C@@H](C)O)nn1-c1ccc(F)cc1 585088355 XLVGOXOAZIURFP-SECBINFHSA-N 307.329 0.672 50 50 DCGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccnc2)C1 13321222 WMIVWXXKRBKFHZ-BVTUPMQUSA-N 324.406 0.593 50 50 DCGA CC(C)(O)C(=O)NNC(=O)CCn1sc2ccccc2c1=O 1447802806 NIXAWWDFLIQXQQ-UHFFFAOYSA-N 323.374 0.371 50 50 DCGA C[C@]1(c2ccccc2)[C@H]2SCC(=O)N2CCN1CC(=O)NN 35896967 RZAGBUSYSSHKTP-CABCVRRESA-N 320.418 0.109 50 50 DCGA COc1cc(/C=N\NC(=O)CN2CCN(C)CC2)cc(OC)c1 32690998 YXGQQTQZTWOVIY-BOPFTXTBSA-N 320.393 0.401 50 50 DCGA COc1ccccc1C(=O)NNC(=O)CCN1CC[C@@H](F)C1 1616037929 QZYPATYRLDBGBA-LLVKDONJSA-N 309.341 0.890 50 50 DCGA CCCCOCCCNC(=O)c1ccc(Cl)c(B(O)O)c1 169744439 XCTXKMKNYNVFHK-UHFFFAOYSA-N 313.590 0.956 50 50 DCGA O=S(=O)(c1ccccc1)n1ccc2c(B(O)O)cccc21 169747463 KBLZYWJFKKTOPJ-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA in-vitro CCCCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584941383 ITOKJIFHBKWOTM-UHFFFAOYSA-N 304.199 0.361 50 50 DCGA NNC(=O)[C@@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O 1406480 FASAGEUJTYPSKH-OAHLLOKOSA-N 311.341 0.949 50 50 DCGA Cc1nn(-c2cccc(Cl)n2)c(C(F)(F)F)c1B(O)O 170002364 YESAGJRCOVKARM-UHFFFAOYSA-N 305.452 0.928 50 50 DCGA CCN1CCN(CCCOc2cc(B(O)O)ccc2C)CC1 230529324 HSJZYTUEXXYNTH-UHFFFAOYSA-N 306.215 0.081 50 50 DCGA NNC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 2325809604 NLHWCHWWHANKEP-UHFFFAOYSA-N 310.317 0.674 50 50 DCGA N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)N1CCOCC1 449680 UXHBQJAUIGUZSW-UKTHLTGXSA-N 315.329 0.316 50 50 DCGA Cc1c(NC(=O)c2ccc(F)c(B(O)O)c2)cccc1[N+](=O)[O-] 169744164 NGWDZPSONNLBMF-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA Nc1nnnn1CC(=O)N/N=C/c1ccccc1C(F)(F)F 51917 CHZBAEUTYVTRRW-FZSIALSZSA-N 313.243 0.424 50 50 DCGA C[C@H](C(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O)C1CC1 585087681 GOLGDQYSHDPPFN-UFBFGSQYSA-N 315.329 0.631 50 50 DCGA NC(=O)[C@@H](Br)CC[C@H](Br)C(N)=O 1714995 PLSXNAQEJOGNKQ-IMJSIDKUSA-N 301.966 0.264 50 50 DCGA C=CCOc1cccc(/C=N\NC(=O)C(=O)NCCOC)c1 32603924 OLYQUCUJXXBWKI-BOPFTXTBSA-N 305.334 0.464 50 50 DCGA CN1CCO[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1=O 827789365 FHMABYPXDROKGX-SNVBAGLBSA-N 303.240 0.404 50 50 DCGA CCN(c1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1 169744357 QMFMUJJSNYLVFG-UHFFFAOYSA-N 305.164 0.582 50 50 DCGA CC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5034917 NXGCDOOPOMZLGO-UHFFFAOYSA-N 307.394 0.875 50 50 DCGA COC(=O)Cc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2 6492283 UMJHNBLPUFYKMD-UHFFFAOYSA-N 320.374 0.976 50 50 DCGA biogenic COc1ccccc1/C=N/NC(=O)CCN1CCN(C)CC1 19535935 PTLIXPDJVPYDSS-GHRIWEEISA-N 304.394 0.783 50 50 DCGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)c([N+](=O)[O-])c1 169744535 RGBWQNZMUYVJEN-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA CCCCNC(=O)NNC(=O)c1c(Br)cnn1C 2763140 NQVPRAWSUIWBRF-UHFFFAOYSA-N 318.175 0.927 50 50 DCGA O=C(NNC(=O)[C@H]1CCCS1)c1cncc(N2CCCC2)n1 868963420 QIJHKDRFTDVRFD-LLVKDONJSA-N 321.406 0.733 50 50 DCGA O=C(CCl)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1341509263 AAMHJRPHNLYMGB-UHFFFAOYSA-N 324.830 0.315 50 50 DCGA C[C@@H](C(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O)C1CC1 585087678 GOLGDQYSHDPPFN-PELKAZGASA-N 315.329 0.631 50 50 DCGA CC(C)NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 4993954 HDKOMXNJTSMWMP-UHFFFAOYSA-N 313.741 0.391 50 50 DCGA COc1ccccc1NC(=O)NNC(=O)CCN1CCOCC1 20500924 GVNZLYFYJCAWNL-UHFFFAOYSA-N 322.365 0.570 50 50 DCGA C[C@H](Cl)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1875380167 HCPILRMQHZHNNP-DTWKUNHWSA-N 303.767 0.965 50 50 DCGA COc1ccc(CNCc2ccc(F)c(B(O)O)c2)c(OC)c1 230556772 SPNXHPSQLIAAHC-UHFFFAOYSA-N 319.141 0.813 50 50 DCGA C[C@H](Cl)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1875363835 BHPGBGPRBLSHTR-QMMMGPOBSA-N 317.802 0.248 50 50 DCGA COc1ccc(/C=N\NC(=O)CN2CCN(C)CC2)c(OC)c1 19339955 BSKHMFAQDDYLPD-BOPFTXTBSA-N 320.393 0.401 50 50 DCGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1 9014012 XZAYZAQTAXJVOT-KPKJPENVSA-N 305.254 0.093 50 50 DCGA C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 253392427 DKVPRXRSPYLYPC-QJMGFWLPSA-N 323.374 0.309 50 50 DCGA C[C@H](Cl)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1875376160 NPCLXGUNFUTBJM-UWVGGRQHSA-N 308.831 0.934 50 50 DCGA NNC(=O)N/N=C/c1ccc(I)cc1 282122 JGHPJWKTEIZKIY-VZUCSPMQSA-N 304.091 0.798 50 50 DCGA CCn1ncc(NC(=S)NNC(=O)Cn2cc(C)cn2)c1C 2802247 FYJMJKOYQXWPRE-UHFFFAOYSA-N 321.410 0.734 50 50 DCGA C[C@H](Cl)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1875366473 MQVCKFCJDRDHPX-QWRGUYRKSA-N 324.830 0.267 50 50 DCGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100151524 JKCDGBOIXHVZJB-NGPAHMQLSA-N 303.278 0.557 50 50 DCGA O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CNC[C@@H]1Cl 1875349883 RBRZPWPQCZKRPA-YUMQZZPRSA-N 305.743 0.452 50 50 DCGA COCc1noc([C@@H]2CN(C(=O)CCl)CC23COC3)n1 1875377706 LOBQEFSWLCZUAF-QMMMGPOBSA-N 301.730 0.397 50 50 DCGA C=CCNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 245255019 DQAFLSOTUMKUOY-BHQVJMJVSA-N 300.152 0.860 50 50 DCGA Cn1c(=O)c(C(=O)NNC(=O)CCl)c(O)c2ccccc21 100702754 AKJXJWPBFQUGPK-UHFFFAOYSA-N 309.709 0.244 50 50 DCGA O=C(OCc1ccccc1)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745630 YDPDKQXYZBUILB-UHFFFAOYSA-N 301.063 0.632 50 50 DCGA in-vitro CCOC(=O)c1ccc(NC(=O)NNC(=O)C[C@H](C)O)cc1 2851304 DMLVJNQGNSOBMO-VIFPVBQESA-N 309.322 0.787 50 50 DCGA CCOC(=O)NNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] 585119618 NGLYOQIBLDHTHT-UHFFFAOYSA-N 309.325 0.904 50 50 DCGA CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 18097334 CQWKXXBXIBDJCW-XFFZJAGNSA-N 323.312 0.991 50 50 DCGA Cc1ccc(S(=O)(=O)n2c(B(O)O)cc3ccccc32)cc1 195814415 KYJNMYKIONEZQL-UHFFFAOYSA-N 315.159 0.867 50 50 DCGA C[C@H](Cl)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1875366474 MQVCKFCJDRDHPX-WDEREUQCSA-N 324.830 0.267 50 50 DCGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1nc([N+](=O)[O-])n[nH]1 32678418 XTAVVWYMQKOIER-WZUFQYTHSA-N 305.210 0.385 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(O)cc1O 100557101 OGKUOKGTWQKDTE-BXRZMRDGSA-N 304.306 0.450 50 50 DCGA CC(C)(CNC(=O)c1ccc(B(O)O)c(C=O)c1)CC(F)F 2325873848 WIGGPWPKOUKUPV-UHFFFAOYSA-N 313.109 0.590 50 50 DCGA Cn1c(=O)c2c(ncn2CCCBr)n(C)c1=O 2029083 IXYPCFPAFIVIGP-UHFFFAOYSA-N 301.144 0.219 50 50 DCGA COC(=O)c1ccc(C)c(S(=O)(=O)NN(C)C(=O)OC)c1 242100057 WDZKNLAJRXJSNL-UHFFFAOYSA-N 316.335 0.673 50 50 DCGA COCc1noc(CN2CCN(C(=O)[C@H](C)Cl)CC2)n1 1875377880 QCLUUJLYQIJJCW-VIFPVBQESA-N 302.762 0.488 50 50 DCGA C[C@H](Cl)C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 1875379950 AHKUENNLJIJUIH-DRZSPHRISA-N 314.817 0.878 50 50 DCGA CC(F)(F)c1cc(COc2cccc(B(O)O)c2C=O)no1 2325826227 UWYFMFIZWMYWEF-UHFFFAOYSA-N 311.049 0.858 50 50 DCGA C[C@@H](Cl)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1875303989 VRMATOQNRUVKON-RITPCOANSA-N 310.725 0.552 50 50 DCGA O=C(CCl)N[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21 1875375334 ZUJLKXKOTDAPCA-MRVPVSSYSA-N 304.711 0.778 50 50 DCGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100708623 SDTOJPGWVGFTPV-AAWHYMEISA-N 317.305 0.947 50 50 DCGA O=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2I 239164992 NHGLFZIQXAGSGN-XLCKTPMPSA-N 308.071 0.682 50 50 DCGA Cn1/c(=N\NC(=O)NC[C@@H]2COCCO2)sc2ccccc21 222121579 UJKXPQGWXLDLNR-SBGIHMHXSA-N 322.390 0.770 50 50 DCGA CCCCNC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 17053731 WGUKBZWLJGSJOS-UHFFFAOYSA-N 316.339 0.887 50 50 DCGA CC(C)(C)CC(=O)NNS(=O)(=O)c1cnn2c1OCCC2 585118847 FFDNTQXFAZSCRR-UHFFFAOYSA-N 316.383 0.411 50 50 DCGA O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1ccnc(C2CC2)n1 1875267996 OEDWJCMRNFLIMB-NSHDSACASA-N 316.361 0.932 50 50 DCGA NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 168052 OFPWIKXAQKSKPL-UHFFFAOYSA-N 317.798 0.731 50 50 DCGA CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@@H](O)[C@H]1O3 257357514 OKOJQWNGVURXGG-KTHJIBTMSA-N 304.415 0.579 50 50 DCGA COc1ccc(CONC(=O)c2ccc(B(O)O)cc2F)cc1 169745062 SZEGRCMHYGEWJC-UHFFFAOYSA-N 319.097 0.376 50 50 DCGA in-vitro O=S1(=O)CC[C@@H](SS[C@@H]2CCS(=O)(=O)C2)C1 1091091 PYOZDCAZDVXIHX-HTQZYQBOSA-N 302.464 0.742 50 50 DCGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1C 13320006 WQOYKHIEROWZIN-UHFFFAOYSA-N 311.407 0.694 50 50 DCGA CCOC(=O)c1cc(C(=O)NNc2nc(C)cc(C)n2)nn1C 2785561 ZTGJPWWMAHJVLR-UHFFFAOYSA-N 318.337 0.761 50 50 DCGA CCN=c1[nH]c(C(=O)NNc2c(C#N)c(C)nn2C)cs1 1875350067 ZJVMKAQGRJWNFA-UHFFFAOYSA-N 305.367 0.667 50 50 DCGA COc1cc(B(O)O)c(C=O)cc1OCc1cc(C(C)C)no1 2325854000 KGYJTMVGKVJHDE-UHFFFAOYSA-N 319.122 0.878 50 50 DCGA Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3cnccc32)cc1 209756935 ZKHCIGUDPKUMSJ-UHFFFAOYSA-N 316.147 0.262 50 50 DCGA CCN1CCN(CCOc2ccc(B(O)O)cc2Cl)CC1 230546395 YYGHQYCAWVSYHA-UHFFFAOYSA-N 312.606 0.036 50 50 DCGA COc1ccc(C(=O)CBr)cc1S(N)(=O)=O 34592594 IZFYXYSSDZTITC-UHFFFAOYSA-N 308.153 0.920 50 50 DCGA CCO/N=[N+](\O)C/[N+](O)=N/OCCI 225434906 XYDBWHYNMXCDAT-UHFFFAOYSA-N 320.087 0.970 50 50 DCGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1 13471613 OYDHRDMDTVXIDA-NSHDSACASA-N 324.296 0.775 50 50 DCGA COc1cc(CC(=O)NNC(=O)CN2CCCC2=O)ccc1C 585079692 UHWKHDMRSAABFJ-UHFFFAOYSA-N 319.361 0.316 50 50 DCGA COc1ccc(OC)c(/C=N/NC(=O)CC2=NNC(=O)C2)c1 100942786 HUGXKTNSTWJDOS-OVCLIPMQSA-N 304.306 0.420 50 50 DCGA C[C@H]1CN(C(=O)[C@@H](F)Cl)CCN1c1nccn2cnnc12 2325898099 SGXPNYOXKDMQRU-DTWKUNHWSA-N 312.736 0.696 50 50 DCGA Cn1ccc(C(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 6633168 VYTOJFNXYYDICC-UHFFFAOYSA-N 320.334 0.960 50 50 DCGA O=C(N/N=C/c1ccccc1C(=O)O)C(=O)N1CCCCC1 4525705 GEPYDTFCDOOKLH-MHWRWJLKSA-N 303.318 0.847 50 50 DCGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 6939041 FUYNIGOGNSKGJE-MRVPVSSYSA-N 311.363 0.698 50 50 DCGA Cc1nc2sc(CNC(=O)[C@H](F)Cl)nn2c(=O)c1F 2325901721 VNMVPHGPUMQQCF-LURJTMIESA-N 308.697 0.749 50 50 DCGA O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1Cl 1875349881 RBRZPWPQCZKRPA-JGVFFNPUSA-N 305.743 0.452 50 50 DCGA O=C1[C@@H](Br)CS(=O)(=O)C[C@@H]1Br 1722019 JUWPEGPRQKQUNF-IMJSIDKUSA-N 305.975 0.511 50 50 DCGA Cn1cc(Br)c(C(=O)NNC(=S)NC2CC2)n1 2777747 YISWBNRYMMRXTQ-UHFFFAOYSA-N 318.200 0.454 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1 100280555 WPKJUVOQKXOSMY-GGNJANJASA-N 316.317 0.435 50 50 DCGA O=C(CNC(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 5731377 AGJWWABJQGPFLX-UHFFFAOYSA-N 322.324 0.889 50 50 DCGA Cn1cc(C(=O)NNC(=O)N2CCc3ccsc3C2)nn1 852423898 QZYSRIMFWYLFLC-UHFFFAOYSA-N 306.351 0.289 50 50 DCGA O=C1CCCC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)N1 170618064 QTPCCCKQHFGYEK-NSHDSACASA-N 320.305 0.415 50 50 DCGA COC(=O)C(=O)NNC(=O)Cc1ccc(OCC(C)C)cc1 225441807 LHOHBGLIUSDIHJ-UHFFFAOYSA-N 308.334 0.584 50 50 DCGA O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1 169293211 OIQGZWBQLJOIID-ZDEQEGDKSA-N 300.314 0.971 50 50 DCGA Cc1c(/C=N/NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)cnn1C 2786077 JZUUXOZTXDVNIK-KUQJRHMUSA-N 319.325 0.620 50 50 DCGA COc1ccc(CC(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 7067761 HTUZXNPOXINGQB-ZDUSSCGKSA-N 323.418 0.912 50 50 DCGA CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN 335184 DKTDMKBSXUIFIO-JTQLQIEISA-N 305.787 0.633 50 50 DCGA Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3cccnc32)cc1 169745059 ZJMVMHYCONCGCX-UHFFFAOYSA-N 316.147 0.262 50 50 DCGA CCOC(=O)NN[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100117076 WTLHWKARZNFXSG-NSHDSACASA-N 307.306 0.578 50 50 DCGA Cc1cnn(CCC(=O)NNC(=S)NCc2ccco2)c1 2760398 GMOYWTLREQAUES-UHFFFAOYSA-N 307.379 0.870 50 50 DCGA C[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1cncc(F)c1 2325873820 UVXVYZHLCPWEKQ-VIFPVBQESA-N 316.097 0.204 50 50 DCGA O=Cc1cc(C(=O)N2CC[C@@H](c3ccccn3)C2)ccc1B(O)O 2325873664 PEDOMJHZWPNXMT-CYBMUJFWSA-N 324.145 0.204 50 50 DCGA C/C(NN1CCOCC1)=C(\C#N)C(=O)NCc1ccccc1 435739 DNHNJHRFXPHTCL-SQFISAMPSA-N 300.362 0.937 50 50 DCGA NNC(=O)Cc1nnc2ccc(C(=O)Nc3ccccc3)cn12 1775973334 QHAHYLOKAJZYFM-UHFFFAOYSA-N 310.317 0.514 50 50 DCGA C[C@@H](O)CC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6399189 UNNIBIZGRNNSAB-MRVPVSSYSA-N 311.363 0.546 50 50 DCGA Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CCl 85389136 MNVCYQCZROSZGQ-LBPRGKRZSA-N 323.780 0.889 50 50 DCGA C[C@H](Nc1nnc(O)nc1O)C(=O)N/N=C/c1ccccc1 13638522 UWYJJBNHEBMUFA-QZNXTOQNSA-N 302.294 0.234 50 50 DCGA biogenic,in-vitro N#C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)[C@@H](F)Cl)C1 2325820799 CTNSBPCLTOXGOC-SVGQVSJJSA-N 301.627 0.694 50 50 DCGA C[C@@]1(c2ccccc2)[C@@H]2SCC(=O)N2CCN1CC(=O)NN 35896972 RZAGBUSYSSHKTP-LSDHHAIUSA-N 320.418 0.109 50 50 DCGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1=O 1875378169 WQOFFCKRPJCMGL-VXGBXAGGSA-N 317.817 0.053 50 50 DCGA COC(=O)[C@@]12C[C@@](OC)(c3ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 101052453 KDAUQUQORHSGTB-NSLUBLRVSA-N 302.282 0.672 50 50 DCGA O=C(NCc1ccco1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2902873 FZPMTZRTUKBGLN-LZYBPNLTSA-N 316.273 0.954 50 50 DCGA COc1cc(B(O)O)c(C=O)cc1OCc1noc(C(C)C)n1 2325853867 FHDIDJORXNLZGS-UHFFFAOYSA-N 320.110 0.273 50 50 DCGA COc1ccccc1OCC(=O)NNC(=O)c1ccncc1 4812689 MVWOZLYHDFBDRK-UHFFFAOYSA-N 301.302 0.930 50 50 DCGA C[C@@H](NC(=S)NNC(=O)c1c(N)cnn1C)c1ccccc1 2794772 OZGPUQMUDKNCLD-SECBINFHSA-N 318.406 0.872 50 50 DCGA O=C(CCl)NC[C@]1(CO)COCCN1Cc1ccccc1 1875366452 KWKWWONNGUHLIE-HNNXBMFYSA-N 312.797 0.605 50 50 DCGA CN(CC(=O)Nc1nc(CCCl)cs1)S(C)(=O)=O 585086604 WESABTNMWZIHGM-UHFFFAOYSA-N 311.816 0.754 50 50 DCGA CCOC(=O)c1ccc(NC(=S)NNC(=O)COC)cc1 8682679 SPIWIONSMQIGRJ-UHFFFAOYSA-N 311.363 0.827 50 50 DCGA COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1O 2903198 UZQFDTKIEOHUBY-CAOOACKPSA-N 317.301 0.760 50 50 DCGA NNC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NN 1712197 VSIXZNXJYWMUMM-QDIHITRGSA-N 322.368 0.490 50 50 DCGA N=C(NNC(=O)c1cnccn1)c1cc2ccccc2oc1=O 409444214 GKQBBJQYQYGTCJ-UHFFFAOYSA-N 309.285 0.843 50 50 DCGA CCCn1c(=O)c(C(=O)NNC(C)=O)c(O)c2ccccc21 100534756 IEYLIVHBUMAOKS-UHFFFAOYSA-N 303.318 0.898 50 50 DCGA CN(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 71767223 JWRAQELMACARHY-UHFFFAOYSA-N 305.787 0.797 50 50 DCGA NC(=O)[C@@H](Br)CC[C@@H](Br)C(N)=O 1714996 PLSXNAQEJOGNKQ-ZXZARUISSA-N 301.966 0.264 50 50 DCGA O=C(CCl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3289346 WPIYLAAPCNFQDJ-UHFFFAOYSA-N 318.782 0.885 50 50 DCGA O=C1CC[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)O1 101361539 ZBOVQFVXPCDZEH-SECBINFHSA-N 304.214 0.423 50 50 DCGA N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1cccc(F)c1 240709 WNARZJVQSFEHBW-VIFPVBQESA-N 300.249 0.833 50 50 DCGA CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 169794906 PJPAPOCZOTYLIT-ZIQFBCGOSA-N 308.447 0.462 50 50 DCGA COc1cc(NC(=S)NNC(=O)C(C)(C)O)cc(OC)c1 13497567 ZEPGEOYSIKNZTF-UHFFFAOYSA-N 313.379 0.792 50 50 DCGA O=C(Cc1cccc2ccccc12)NN=C1C(=O)NC(=O)NC1=O 4694188 ZECNBSVOKOVUCW-UHFFFAOYSA-N 324.296 0.221 50 50 DCGA O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(B(O)O)c(F)c1 169744543 JSRCTYHYPFPKJW-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA Cc1ccc(CNC(=O)c2cc(F)cc(B(O)O)c2)cc1F 169744180 TYZJGDGFCMRCRM-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccn2)c1 13281356 ZNBJSKQTLHJGCJ-VXLYETTFSA-N 312.329 0.857 50 50 DCGA Cc1ccc(F)c(CNC(=O)c2ccc(F)c(B(O)O)c2)c1 169744408 BBGVRRJZNLKTKZ-UHFFFAOYSA-N 305.089 0.883 50 50 DCGA CCOC(=O)C(C#N)=C1S[C@@H]2CS(=O)(=O)C[C@H]2S1 1232824 LABKCDCKGKMEBI-HTQZYQBOSA-N 305.402 0.930 50 50 DCGA C[C@H](Cl)C(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 1875380272 KIKGOIXFNLJQBD-QWRGUYRKSA-N 320.817 0.725 50 50 DCGA O=S(=O)(c1ccccc1)n1ccc2cc(B(O)O)ccc21 169810994 QBWYPMYEBNWOFW-UHFFFAOYSA-N 301.132 0.558 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 2892212 NNDVQOIONSQROK-GZTJUZNOSA-N 317.345 0.936 50 50 DCGA C[C@@H](Cl)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 1875364681 QCXBCBFPUJBNOL-LLVKDONJSA-N 320.784 0.938 50 50 DCGA O=C1CC[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)O1 101361538 ZBOVQFVXPCDZEH-VIFPVBQESA-N 304.214 0.423 50 50 DCGA CCCCN1CCOC[C@@H]1C(=O)NNC(=O)c1ccccc1 170597731 JORCCTQSAQRTLR-CQSZACIVSA-N 305.378 0.949 50 50 DCGA CC(C)C(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 2289139 WHFNSKXLWVEXIN-UHFFFAOYSA-N 307.306 0.517 50 50 DCGA O=C(OCc1ccccc1)c1ccc(B(O)O)c([N+](=O)[O-])c1 169745427 WCPSHLUESXPJCV-UHFFFAOYSA-N 301.063 0.632 50 50 DCGA COc1ccc(OC)c(/C=N\NC(=O)CN2CCN(C)CC2)c1 32666319 NRGFKRKCPHRNLS-BOPFTXTBSA-N 320.393 0.401 50 50 DCGA Cn1nc2cccc(S(=O)(=O)NNC(=O)C3CCC3)c2n1 1615614116 MSDVDMCUDIRVHL-UHFFFAOYSA-N 309.351 0.078 50 50 DCGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2nc(O)[nH]c(=O)c21 36751 OBFYFFSIDFKAEO-SNVBAGLBSA-N 312.285 0.702 50 50 DCGA O=C(CCN1CCOCC1)NNC(=S)Nc1ccccc1 20500886 XHPIBUKALTXCLE-UHFFFAOYSA-N 308.407 0.727 50 50 DCGA NNC(=O)C1CCN(C[C@H](O)COCc2ccccc2)CC1 4952029 YKKFENSUYJNJNH-HNNXBMFYSA-N 307.394 0.266 50 50 DCGA C[C@@H](Cl)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1875364444 MSKGBYIZNLBIRU-SECBINFHSA-N 321.786 0.276 50 50 DCGA O=C(CCl)NCCNS(=O)(=O)c1ccc(Cl)cc1 585655930 JVSXUZZIULYMRG-UHFFFAOYSA-N 311.190 0.973 50 50 DCGA CC(C)(C)OC(=O)N1CCN(Cc2ccc(B(O)O)cc2)CC1 169746263 MFIQWUMSXLZAIK-UHFFFAOYSA-N 320.198 0.419 50 50 DCGA O=C1NN=C(c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccccc1O 102297017 YJHKRYFFMSSKBV-YFEUJDIGSA-N 322.324 0.993 50 50 DCGA C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 253392428 DKVPRXRSPYLYPC-RUVZFTFLSA-N 323.374 0.309 50 50 DCGA COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1 2898133 SDTZCMCLPUYCIJ-CXUHLZMHSA-N 305.334 0.838 50 50 DCGA O=C1CCC(=O)N1CCSSCCN1C(=O)CCC1=O 2279128 TYORKVNXVPDAML-UHFFFAOYSA-N 316.404 0.666 50 50 DCGA COCc1noc([C@H]2CN(C(=O)CCl)CC23COC3)n1 1875377705 LOBQEFSWLCZUAF-MRVPVSSYSA-N 301.730 0.397 50 50 DCGA C[C@H](Nc1nnc(O)nc1O)C(=O)N/N=C/c1cccs1 13520451 HYUKCVYNEMWDBE-XDZJJNIASA-N 308.323 0.295 50 50 DCGA NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17030664 IDHHTBSDFFQEFX-UHFFFAOYSA-N 301.343 0.216 50 50 DCGA O=C(O)CCC(=O)NNC(=O)CSc1nc2ccccc2[nH]1 2851150 CNNXGTCXKOUVAQ-UHFFFAOYSA-N 322.346 0.667 50 50 DCGA Cc1nn(C)c(NNC(=O)Cc2cn3ccsc3n2)c1C#N 1875349516 AEXXPOSXKWEINL-UHFFFAOYSA-N 315.362 0.995 50 50 DCGA O=C(NCc1ccccc1)c1cc(B(O)O)cc([N+](=O)[O-])c1 169745708 XZIKQHJBSBUSGP-UHFFFAOYSA-N 300.079 0.205 50 50 DCGA in-vitro O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)cc(B(O)O)c1 169744358 GFDPMXKMWZSRQW-UHFFFAOYSA-N 322.032 0.805 50 50 DCGA O=C(NC(=S)NNC(=O)c1cnccn1)c1ccc(F)cc1 2253351 RAPSJUMZFUHTDD-UHFFFAOYSA-N 319.321 0.565 50 50 DCGA NNC(=O)COc1cc2c(cc1Br)OCC(=O)N2 40546123 FBADFWNUBBHUNF-UHFFFAOYSA-N 316.111 0.149 50 50 DCGA O=C(NNS(=O)(=O)c1n[nH]c2ncccc12)C1CCCC1 952881060 NQMIJWHRSFGIAK-UHFFFAOYSA-N 309.351 0.458 50 50 DCGA O=C(CCl)N1C[C@@H]2COCC[C@]2(C(=O)N2CCCC2)C1 1875375151 SESMJYURWILWCF-RISCZKNCSA-N 300.786 0.713 50 50 DCGA CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN 335188 DKTDMKBSXUIFIO-SNVBAGLBSA-N 305.787 0.633 50 50 DCGA CCN1CCN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)CC1 19594726 LDVGEQAKUAVFIF-QGOAFFKASA-N 317.437 0.840 50 50 DCGA Cc1c(NC(=O)c2cc(F)cc(B(O)O)c2)cccc1[N+](=O)[O-] 169744359 WDZJIRLJGWQRBU-UHFFFAOYSA-N 318.069 0.974 50 50 DCGA O=C(NNS(=O)(=O)c1ccco1)c1ccc2c(c1)OCO2 170602981 GYOFUFDXDZBWBB-UHFFFAOYSA-N 310.287 0.632 50 50 DCGA Cc1cc(C(=O)NNC(=O)[C@H]2CCCS(=O)(=O)C2)c(C)o1 253417584 DPHRMVDCLBPERM-JTQLQIEISA-N 314.363 0.482 50 50 DCGA COC(=O)[C@H](Br)[C@H](Br)C(=O)OC 1724516 XQBOXCHKENCESQ-ZXZARUISSA-N 303.934 0.859 50 50 DCGA in-vitro NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 4567166 BOOAASJRVPZWJW-LBPRGKRZSA-N 303.322 0.237 50 50 DCGA in-vitro C[C@H](Cl)C(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 1875380273 KIKGOIXFNLJQBD-WDEREUQCSA-N 320.817 0.725 50 50 DCGA CCCCC[C@@]1(C)[C@@H]2SCC(=O)N2CCN1CC(=O)NN 35896991 MQMKZFUPIXXQPJ-KBPBESRZSA-N 314.455 0.532 50 50 DCGA O=C(NNC(=O)c1cn([C@H]2CCOC2)nn1)c1ccccc1 2325741658 LVIIGFPIBHNQJA-NSHDSACASA-N 301.306 0.314 50 50 DCGA