smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc2nc(C)[nH]c2c1 218769654 JDTIQMSULBJXQP-INIZCTEOSA-N 340.387 0.958 70 50 ECIA C#CC[C@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385296 QIHDSCXUTDACIK-NSHDSACASA-N 328.321 0.539 70 50 ECIA CN(C)c1ccc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)cn1 217170717 FGCWMWDPKJGQSG-AWEZNQCLSA-N 331.376 0.026 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3c(cnn3C)c(=O)[nH]1)C2 217517072 SQUBPHPJXZLVEY-SNVBAGLBSA-N 343.391 0.312 70 50 ECIA C[C@@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)N1CCOCC1 1875384349 FTCRSTCCMREEJC-JTQLQIEISA-N 332.353 0.939 70 50 ECIA COCCc1nc(CCNC(C)=O)n(Cc2ccc3c(c2)OCO3)n1 217758740 MFWABCKNWRHFBE-UHFFFAOYSA-N 346.387 0.923 70 50 ECIA CC(=O)N1CC(Nc2ccc(NS(C)(=O)=O)c(F)c2)=CC1=O 218564902 QWDHIXSPGZMLIF-UHFFFAOYSA-N 327.337 0.882 70 50 ECIA COc1ccccc1CCC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O 218773101 MLEVPEDJXNRRIQ-HIFRSBDPSA-N 336.388 0.403 70 50 ECIA CC(C)[C@@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 218363920 VFPORNLVDMLAOV-CYBMUJFWSA-N 343.387 0.567 70 50 ECIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(c2cc[nH]n2)CC1 218427875 PHWZLNYTPSLGHH-HNNXBMFYSA-N 330.392 0.586 70 50 ECIA COCc1nc(NCCN2CCC(O)CC2)cc(C2CC(N)C2)n1 218123829 FYXAAZUKSSSYCE-UHFFFAOYSA-N 335.452 0.696 70 50 ECIA COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CO)C=C2 217745095 SVTQXHKATHOIJP-NSHDSACASA-N 334.372 0.556 70 50 ECIA biogenic O=C(c1cnc2c(c1)CCCC2)N1CCn2nc([C@@H](O)CO)cc2C1 217631821 LCZDSMNGKYGDAM-KRWDZBQOSA-N 342.399 0.839 70 50 ECIA CC[C@@H](C)[C@@H](CO)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O 218277897 OBILCUJAKGLFIN-BXUZGUMPSA-N 347.419 0.569 70 50 ECIA O=C(COC[C@H]1CCCCO1)NCc1nnnn1-c1ccccc1 217356474 MERHSFVNUHCYJF-CQSZACIVSA-N 331.376 0.864 70 50 ECIA O=c1cc(CN2CCCn3nc(CO)cc3C2)nc2c(O)cccn12 217816703 WNILVZKVAJWRII-UHFFFAOYSA-N 341.371 0.495 70 50 ECIA CCn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 460093191 KUNRDHCWMSUXSV-UHFFFAOYSA-N 334.354 0.179 70 50 ECIA CN(C)Cc1nc(C(=O)N2CCCn3nc(CO)cc3C2)cs1 216958909 HMMWHAIYGZLWMH-UHFFFAOYSA-N 335.433 0.940 70 50 ECIA O=C(CN1CCn2nc(CO)cc2C1)N1CCOc2ccccc21 216964361 SVVDMXKZBRBORZ-UHFFFAOYSA-N 328.372 0.617 70 50 ECIA COc1cncc([C@@H](NC(=O)CN2CCOCC2)[C@H]2C[C@@H](O)C2)c1 218112696 OLOPIQHTGHQHSK-JDFRZJQESA-N 335.404 0.351 70 50 ECIA COCCn1c(C)cc(C)c(C(=O)Nc2nc(COC)n[nH]2)c1=O 218564791 ZYYAOVVNPKKNLM-UHFFFAOYSA-N 335.364 0.628 70 50 ECIA COc1ccc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c(OC)n1 217143058 QKJFBFIZANMYMF-UHFFFAOYSA-N 330.344 0.657 70 50 ECIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1n[nH]c3c1COCC3)C2 216978537 VPXNNSCNSQDMCN-JTQLQIEISA-N 331.376 0.778 70 50 ECIA CN1CCC(N2CCC(C(=O)N[C@@H]3CCOC[C@H]3O)CC2)CC1 218265910 UTSZEYGWWUFDEY-HZPDHXFCSA-N 325.453 0.059 70 50 ECIA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-n2cnnn2)ccc1Cl 218573773 BEEDJDZDOMLYCG-MRVPVSSYSA-N 341.780 0.233 70 50 ECIA CN(C)c1ccc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)cn1 217170724 FGCWMWDPKJGQSG-CQSZACIVSA-N 331.376 0.026 70 50 ECIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 217201492 JRORRDAQZKUILH-YABSGUDNSA-N 329.356 0.713 70 50 ECIA COc1cc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc2c1OCCO2 218296290 IMCVTPHUZHIBME-SNVBAGLBSA-N 333.344 0.799 70 50 ECIA O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)NCc1cccs1 217429841 BOFIOFXIJSKAHX-AWEZNQCLSA-N 336.417 0.102 70 50 ECIA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)OCO2 218294171 AGQKZRPCZREIRH-KGLIPLIRSA-N 336.388 0.881 70 50 ECIA CSCC[C@@H](CO)NC(=O)CCc1c(C)[nH]c2ccnn2c1=O 218515468 UMMUVPSIXSQZNY-NSHDSACASA-N 338.433 0.494 70 50 ECIA CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2 218571598 QPQFARJSKXGZOB-AWEZNQCLSA-N 345.403 1.000 70 50 ECIA CN(CC(=O)N1CCn2nc(CO)cc2C1)Cc1ccc(F)cc1 217130925 GXRNQCAGJUFICI-UHFFFAOYSA-N 332.379 0.989 70 50 ECIA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2nccn2C)CC1 217361187 XNWSJABPALCJGA-CABCVRRESA-N 347.463 0.617 70 50 ECIA CN(C)S(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H](N)C2)c1 216850591 UGVROSDIRSXNKT-MNOVXSKESA-N 326.422 0.971 70 50 ECIA CC[C@@H](C(=O)N1CCN(c2ccnc3nncn23)CC1)n1cccn1 218345971 UDLHYIZILGYQLX-ZDUSSCGKSA-N 340.391 0.621 70 50 ECIA CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)c3cc(CO)ccn3)C2)n1C 218024433 YBJDSNHIEMWQBM-BETUJISGSA-N 344.419 0.440 70 50 ECIA Cc1cc(CC(=O)NC2CCN(C(=O)N3CCOCC3)CC2)on1 218282876 UMQWTPSSWVQKCR-UHFFFAOYSA-N 336.392 0.558 70 50 ECIA OCc1cc2n(n1)CCCN(c1ncc(F)c(N3CCOCC3)n1)C2 217199690 PMMZQLZGFLZSKF-UHFFFAOYSA-N 348.382 0.551 70 50 ECIA CNc1cc(C)nc(N2CCN(Cc3ccc(CO)o3)C[C@@H](O)C2)n1 217880656 YYTXVVTZMOLVMY-CYBMUJFWSA-N 347.419 0.595 70 50 ECIA COC[C@@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385721 ZYAWKSXCRXXJHT-SNVBAGLBSA-N 334.325 0.162 70 50 ECIA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1c[nH]nc1-n1cnnn1 218777972 OVKDSBHHGOCGIN-UHFFFAOYSA-N 329.368 0.430 70 50 ECIA O=C(CCc1ccc(=O)[nH]n1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218266852 HNOJAKVPALCNQL-ZIAGYGMSSA-N 344.371 0.450 70 50 ECIA CN(CC(=O)N1CCC(N2CCC[C@@H](O)C2)CC1)Cc1ccccn1 216866239 ZFIBMEOALXJBPH-GOSISDBHSA-N 346.475 0.961 70 50 ECIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 218696873 XFVOULJVSZYEEO-MRXNPFEDSA-N 343.387 0.799 70 50 ECIA COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 218186208 LJHIGJKVGHKKLG-JTQLQIEISA-N 333.319 0.727 70 50 ECIA CN(CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)Cc1ccccn1 218351412 IHHLBXFZNGOOIE-QXCFHYIPSA-N 344.459 0.881 70 50 ECIA Cc1nn(CC(=O)Nc2ccc(OS(=O)(=O)F)cc2)c(=O)n1C 1875385592 WZNXVHFSOCQQBB-UHFFFAOYSA-N 344.324 0.122 70 50 ECIA O=C(NC[C@@H]1C[C@H]1c1ccco1)N1CCN(S(=O)(=O)F)CC1 2325890204 XABPUSAJPMHNNX-WDEREUQCSA-N 331.369 0.925 70 50 ECIA CN(CC(=O)NCc1nc(-c2cnccn2)n[nH]1)Cc1ccncc1 217390402 VMASFKWMGIZTHE-UHFFFAOYSA-N 338.375 0.405 70 50 ECIA Cc1nnc(SCC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)o1 217113890 RAUCHSQZJJJHCI-ZDUSSCGKSA-N 326.378 0.913 70 50 ECIA O=C1CCC(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)=NN1 218258107 VMSRDQIRTPEWHT-TZMCWYRMSA-N 332.360 0.138 70 50 ECIA O=S(=O)(F)N1CC(N2CCO[C@@H](c3nc(C4CC4)no3)C2)C1 1875368467 SRXUXNLXTASEGL-SNVBAGLBSA-N 332.357 0.219 70 50 ECIA Cc1cc(C(F)(F)F)nn1CCNC(=O)CCN1CCN(C)CC1 218247646 SLRAHTGZAXIHSK-UHFFFAOYSA-N 347.385 0.964 70 50 ECIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CC2)n1 218297565 CQNDSPXSVZPDBR-NSHDSACASA-N 340.343 0.761 70 50 ECIA Cc1cc(C)n(CCCNC(=O)c2c[nH]c3nc(C)nn3c2=O)n1 216923173 XEQVLUVRRRFETH-UHFFFAOYSA-N 329.364 0.359 70 50 ECIA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1nc2ccc(Cl)cc2[nH]1 217137931 JAYVTAXVAZXAGC-VIFPVBQESA-N 335.751 0.821 70 50 ECIA Cc1cc(C)cc(CN2CCN(C(=O)c3cnc[nH]c3=O)CC2=O)c1 217205918 YLEZLDSLRREATQ-UHFFFAOYSA-N 340.383 0.871 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1n[nH]c3c1COCC3)C2 216978522 VPXNNSCNSQDMCN-SNVBAGLBSA-N 331.376 0.778 70 50 ECIA CC[C@@H]1CN(C)CCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385692 ZCKGXMNFZUMQEK-LLVKDONJSA-N 331.369 0.841 70 50 ECIA O=S(=O)(F)N1CC(N2CCO[C@H](c3nc(C4CC4)no3)C2)C1 1875368466 SRXUXNLXTASEGL-JTQLQIEISA-N 332.357 0.219 70 50 ECIA CC[C@H](C(=O)N1CCN(c2ccnc3nncn23)CC1)n1cccn1 218346050 UDLHYIZILGYQLX-CYBMUJFWSA-N 340.391 0.621 70 50 ECIA COC(=O)C[C@H](c1cccnc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218059884 VXYVARAHGNWPDG-SNVBAGLBSA-N 332.312 0.957 70 50 ECIA biogenic Cc1c(NC(=O)CN2CCN(c3ccncc3)C[C@@H](O)C2)cnn1C 217034634 JZLXNAHXRBRZFZ-HNNXBMFYSA-N 344.419 0.245 70 50 ECIA CC(=O)N1CCOC[C@H]1C(=O)NCc1nncn1-c1ccccc1 159935831 YLTUKJDTQGVSOT-AWEZNQCLSA-N 329.360 0.131 70 50 ECIA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCn2nc(CO)cc2C1 217109137 AOFWVJQVPRZXCU-UHFFFAOYSA-N 325.328 0.268 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc(=O)[nH]c3ccccc13)C2 217735402 WZMAHVGFSMJLNY-SNVBAGLBSA-N 339.355 0.829 70 50 ECIA COc1ccc([C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]2C[C@H](O)C2)cn1 218227341 MPFXWZNGMRZYMS-OZVIIMIRSA-N 344.371 0.426 70 50 ECIA CC1(C)CN(C(=O)c2cn(Cc3ccccc3)nn2)CCS1(=O)=O 159965534 XUBKHWQAUOPTLA-UHFFFAOYSA-N 348.428 0.976 70 50 ECIA Cn1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cc1=O 218594333 ZJHKYNCMNIINCB-KGLIPLIRSA-N 349.412 0.946 70 50 ECIA Cc1noc(C)c1CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1 217566221 BMEGXJXGOHFXNK-OAHLLOKOSA-N 334.376 0.489 70 50 ECIA CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(c2ccccc2C)CC1 160226125 FBJWJUZYGBWJHM-QGZVFWFLSA-N 331.416 0.891 70 50 ECIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[nH]n2c1=O 218528570 HYNYKFOMMSWFBJ-BXKDBHETSA-N 336.392 0.080 70 50 ECIA Cc1n[nH]c(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1Cl 218306801 PTBMXHNUCSJFQG-MNOVXSKESA-N 330.816 0.837 70 50 ECIA CC(C)(C(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)N1CCOCC1 218599601 ZVVONQFRUUBCDK-BRWVUGGUSA-N 347.459 0.991 70 50 ECIA Cn1cc(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2=O)cn1 161023919 QYZZDILTBVOAHB-INIZCTEOSA-N 339.399 0.310 70 50 ECIA CCc1nccn1CCC(=O)N1CCn2nc([C@H](O)CO)cc2C1 217698045 YVGDOCQBBOLOFP-CQSZACIVSA-N 333.392 0.100 70 50 ECIA CCn1c(CN2CCC3(CCC(=O)N3)CC2)nnc1[C@H]1C[C@H](N)C1 218505155 CASIKIBECCTOGU-BETUJISGSA-N 332.452 0.747 70 50 ECIA COCc1nc(C)c(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)s1 218366552 HUBAZXAIOHCBGK-UHFFFAOYSA-N 338.389 0.073 70 50 ECIA Cc1cc(N2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc(C)n1 218623235 ZJPLVBSWVPLQQG-UHFFFAOYSA-N 345.491 0.985 70 50 ECIA Cc1ncsc1CCNC(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 217199974 MMGPXWVIOLMUDK-GFCCVEGCSA-N 345.490 0.619 70 50 ECIA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1n[nH]c(N)c1Cl 218773391 GQAZUZXOSSRVAA-BDAKNGLRSA-N 331.804 0.111 70 50 ECIA CSCC[C@H](NC(C)=O)C(=O)N1CCC(n2cnnc2)CC1 217751907 MRMIQRQBTUJUAH-ZDUSSCGKSA-N 325.438 0.699 70 50 ECIA CCc1noc(CN(CC)C(=O)c2c[nH]c3nc(C)nn3c2=O)n1 218547907 WCQAEDCWXAOIAQ-UHFFFAOYSA-N 331.336 0.334 70 50 ECIA COC(=O)C[C@@H](c1cccnc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218059962 VXYVARAHGNWPDG-JTQLQIEISA-N 332.312 0.957 70 50 ECIA biogenic COc1cc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc2c1OCCO2 218296226 IMCVTPHUZHIBME-JTQLQIEISA-N 333.344 0.799 70 50 ECIA O=C(N[C@H](CO)c1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1 218162224 YXLWUCBSXYKBLY-OAHLLOKOSA-N 342.399 0.836 70 50 ECIA CS(=O)(=O)N(CC(=O)NCCn1cccn1)c1cccc(F)c1 218031627 GHBQQZSPUDKZLG-UHFFFAOYSA-N 340.380 0.605 70 50 ECIA Nc1nc2c(c(C(=O)N3CCCn4nc(CO)cc4C3)n1)CCCC2 217354002 UWCIAWGSBMKFDU-UHFFFAOYSA-N 342.403 0.673 70 50 ECIA Cc1noc(C)c1CCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 217427496 CRRGHSGNINMJSR-INIZCTEOSA-N 348.403 0.879 70 50 ECIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2cccc3c2n(c1=O)CC3 218245405 MZQPEDFBVTVHSF-GFCCVEGCSA-N 338.367 0.890 70 50 ECIA O=C(NCc1ccccc1Cn1cccn1)c1c[nH]c2ncnn2c1=O 217538323 DZNRFMJMTIONAO-UHFFFAOYSA-N 349.354 0.592 70 50 ECIA COc1ccccc1CNC(=O)CN1CCn2nc(CO)cc2C1 217177182 XTUWYSIFMFRTPC-UHFFFAOYSA-N 330.388 0.516 70 50 ECIA COCc1cccc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)n1 217371926 UHEKFSKDRIPBPK-MRXNPFEDSA-N 346.387 0.496 70 50 ECIA C[C@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)N1CCOCC1 1875384350 FTCRSTCCMREEJC-SNVBAGLBSA-N 332.353 0.939 70 50 ECIA CC(C)c1cc(C(=O)N2CCn3nc(CO)cc3C2)nc2ncnn12 217809950 KNLLFPHRCZYPOR-UHFFFAOYSA-N 341.375 0.593 70 50 ECIA Cc1nc([C@H](C)NC(=O)COc2ccc(-n3cnnn3)cc2)n[nH]1 217206865 QBYVJRYKIDOKHZ-VIFPVBQESA-N 328.336 0.345 70 50 ECIA Cc1cc(C)n2c(C(=O)N3CCCn4nc(CO)cc4C3)nnc2n1 217907297 XJQLHRLNGKWGFX-UHFFFAOYSA-N 341.375 0.476 70 50 ECIA Cc1nnnn1CCC(=O)NCCc1noc(-c2ccccc2)n1 218255400 SDCNUVJIVXBQCP-UHFFFAOYSA-N 327.348 0.781 70 50 ECIA COCCNC(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 218320090 UCJPBLXFYVOCFS-OAHLLOKOSA-N 348.407 0.260 70 50 ECIA O=C(CCn1cnnn1)N1CCC2(CC1)C(=O)Nc1ccccc12 217890507 GRJMBOFAKSWITG-UHFFFAOYSA-N 326.360 0.576 70 50 ECIA CN(C)CCNC(=O)C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O 218340219 XCOQPPDAVZXKHQ-ZDUSSCGKSA-N 336.367 0.314 70 50 ECIA Cc1cc(N)n(CC(=O)N2CCN(CCOc3ccccc3)CC2)n1 217423202 XSOKTHGQUMBDKD-UHFFFAOYSA-N 343.431 0.997 70 50 ECIA Cc1cc(C)n(CC(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c(=O)n1 218264593 OPVVXEPUBMCWQI-HUUCEWRRSA-N 335.404 0.560 70 50 ECIA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 217004618 REZKJDMOGZVJPQ-YUELXQCFSA-N 331.420 0.444 70 50 ECIA CS(=O)(=O)N1CCN(C(=O)c2cnc3ccccc3c2O)CC1 218391690 WOYXHXXCSZQOKP-UHFFFAOYSA-N 335.385 0.658 70 50 ECIA COc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)o1 217531191 PZYAHYDSIWTSII-UHFFFAOYSA-N 337.376 0.935 70 50 ECIA CC(=O)c1ccc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)s1 218258196 BIPYESKTVLPYHP-UHFFFAOYSA-N 347.400 0.579 70 50 ECIA Cc1nc(O)nc(C)c1CCC(=O)N1CCCn2nc(CO)cc2C1 217529678 ZTAJVTAHYPDEEL-UHFFFAOYSA-N 345.403 0.853 70 50 ECIA Cc1cc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)nc(C)n1 217078149 YWHARQQGNXPAKU-UHFFFAOYSA-N 347.419 0.740 70 50 ECIA O=C(CN1CCn2nc([C@H](O)CO)cc2C1)NCc1cccs1 217429918 BOFIOFXIJSKAHX-CQSZACIVSA-N 336.417 0.102 70 50 ECIA CSc1ncc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cn1 218635105 CJOATXXPERQJCT-UHFFFAOYSA-N 330.435 0.352 70 50 ECIA CCOCC(=O)N1CCC(C(=O)NCCCn2ccccc2=O)CC1 218448506 GIQFSLMBAQFYES-UHFFFAOYSA-N 349.431 0.630 70 50 ECIA CC(C)c1cc(=O)n(CC(=O)NCC(C)(C)N2CCOCC2)cn1 160782434 NZPMZNFLVBNYMX-UHFFFAOYSA-N 336.436 0.594 70 50 ECIA Cc1cc(C)n(CCCC(=O)N[C@H]2C[C@H](c3nnc(CO)n3C)C2)n1 218292021 OXKZEAVHRQWPPL-OKILXGFUSA-N 346.435 0.963 70 50 ECIA Cc1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)n(C)n1 217398638 PBWUDGQYHHVELZ-UHFFFAOYSA-N 325.394 0.012 70 50 ECIA Nc1nc(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cs1 217134455 DLRVQMPUOMONNQ-UHFFFAOYSA-N 345.384 0.618 70 50 ECIA C#CC[C@@H]1COCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385295 QIHDSCXUTDACIK-LLVKDONJSA-N 328.321 0.539 70 50 ECIA CO[C@@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC12CC2 1875384153 CZKNRCHCTJCHKJ-LLVKDONJSA-N 330.337 0.926 70 50 ECIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2nnnn2c1 218196890 UCONIOZYPSMMDS-QEJZJMRPSA-N 338.371 0.631 70 50 ECIA CN1CCN(C)[C@@H](CC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 216938679 AJAZHZGXLZCRGU-KRWDZBQOSA-N 346.475 0.672 70 50 ECIA CCOC(=O)N1CCN(C(=O)c2ccccc2-n2nnnc2C)CC1 218548559 MFFWCRVRYFQRPV-UHFFFAOYSA-N 344.375 0.885 70 50 ECIA Cn1cc([C@@H](NC(=O)Cn2nc3ccccc3n2)[C@H]2C[C@@H](O)C2)cn1 218660583 NYMGOHOYUCJBLR-BNLOLNQZSA-N 340.387 0.793 70 50 ECIA O=C(NCCC(=O)N1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1 952884417 CRQIZOZLBVDXMK-UHFFFAOYSA-N 331.369 0.805 70 50 ECIA CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)F)cc1)NC(C)=O 1875375363 BBUUMCVGQWEZMF-LBPRGKRZSA-N 333.337 0.890 70 50 ECIA Cc1noc2ncnc(N3CCN(Cc4cncn4C)C[C@@H](O)C3)c12 216916881 XGQITRWAPYIRCZ-CYBMUJFWSA-N 343.391 0.343 70 50 ECIA O=C(CCCn1cncn1)NC1CCN(C(=O)N2CCCC2)CC1 218760462 QZGQIETZENDQME-UHFFFAOYSA-N 334.424 0.855 70 50 ECIA COc1cccc(N2CCN(C(=O)c3cnc(C)[nH]c3=O)CC2=O)c1 217193742 IHOQYTDEUYZSQJ-UHFFFAOYSA-N 342.355 0.576 70 50 ECIA CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[nH][nH]c1=O 216917925 SCHBJQWMDVTHDZ-UHFFFAOYSA-N 334.401 0.600 70 50 ECIA Nc1nnc([C@H](NC(=O)C2=NNC(=O)CC2)c2ccccc2)s1 218148291 VVVUHCOYBLDLKD-LLVKDONJSA-N 330.373 0.592 70 50 ECIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)C1CC1)C2 218775975 SUTOCEHRNHPCKK-CYBMUJFWSA-N 337.405 0.006 70 50 ECIA Cc1c[nH]c(CN2CCCn3nc([C@H](O)CO)cc3C2)c(C)c1=O 217443593 DJEJROOVDRJCFX-MRXNPFEDSA-N 332.404 0.620 70 50 ECIA COC(=O)c1ccccc1Nc1c(N2CCC[C@@H]2C(N)=O)c(=O)c1=O 217891751 HGBLTEZAIKOPAO-LLVKDONJSA-N 343.339 0.267 70 50 ECIA biogenic CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(O)c1 218287905 HYHODYZCTNBQQP-NSHDSACASA-N 333.344 0.522 70 50 ECIA O=C(C1CCC1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1 217688666 ACEYANQTJPBQRT-QGZVFWFLSA-N 348.447 0.516 70 50 ECIA O=C([C@H]1CCC[C@@H](O)C1)N1CCN(c2ccc3nccn3n2)CC1 218746812 KTLPQCVLZOZCPQ-UONOGXRCSA-N 329.404 0.929 70 50 ECIA COC(=O)[C@H]1CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383880 BTWNMXYDDSLGFQ-SNVBAGLBSA-N 332.309 0.452 70 50 ECIA Cc1cccc(N2CCN(CC(=O)N[C@@H]3COCC[C@H]3O)CC2)c1 218764489 NLHLPPASKQPLJV-IAGOWNOFSA-N 333.432 0.383 70 50 ECIA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1775987555 WJXVUXCSPBLXMP-JTQLQIEISA-N 348.352 0.530 70 50 ECIA COc1ccnc(CNC(=O)CN2CCN(c3ncccn3)CC2)c1 218575191 VQOBIMBTPTWKFS-UHFFFAOYSA-N 342.403 0.319 70 50 ECIA O=C(Nc1cncc(OS(=O)(=O)F)c1)C1(n2nccn2)CC1 1875387582 OMPXNIDWTDZJIL-UHFFFAOYSA-N 327.297 0.394 70 50 ECIA O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc[nH]n1 218377847 FIHBDWSPUULQIQ-JTQLQIEISA-N 332.295 0.393 70 50 ECIA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N[C@H](CO)C(C)C)n2)n1 218354929 XVAHFLSETOQQRB-CYBMUJFWSA-N 333.392 0.179 70 50 ECIA O=C(C1CCC1)N1CCC(N2CCn3nc([C@@H](O)CO)cc3C2)CC1 217688590 ACEYANQTJPBQRT-KRWDZBQOSA-N 348.447 0.516 70 50 ECIA O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)F)CC1 1875368456 RXCUPENZTPEUQC-LBPRGKRZSA-N 330.337 0.185 70 50 ECIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1nccnc1O 218162571 IYOCGIOYXQAZIB-CHWSQXEVSA-N 348.359 0.891 70 50 ECIA Cc1[nH]ccc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 216696951 MAKWXAHAXAPLDU-OLZOCXBDSA-N 340.449 0.666 70 50 ECIA Nc1nccc(C2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)n1 217492703 VSBUAAGFDRLWAS-LLVKDONJSA-N 336.417 0.713 70 50 ECIA O=C(NCCc1ccncc1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 217212922 RXQOQGVNBFVBEX-AWEZNQCLSA-N 331.397 0.644 70 50 ECIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCOC[C@@H]1C1CC1 1875385029 LHHQTEUZWIPZOY-GFCCVEGCSA-N 330.337 0.926 70 50 ECIA O=C1CN(C(=O)c2cccc(=O)[nH]2)CCN1Cc1ccc(F)cc1 217898060 AKOSYIBIKGEOHA-UHFFFAOYSA-N 329.331 0.999 70 50 ECIA COc1cccc(CCC(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c1 218239952 PZPJUWHZFGWMJB-IRXDYDNUSA-N 334.416 0.844 70 50 ECIA COc1cccc(N2C[C@@H](NC(=O)c3cnc(N)nc3C)CC2=O)c1 218326990 IHYSSXFMKIPFFF-NSHDSACASA-N 341.371 0.911 70 50 ECIA CCCOCCN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218244768 WLQJVEXKMPZJSL-UHFFFAOYSA-N 334.468 0.812 70 50 ECIA CC(C)N1C[C@H](NC(=O)c2ccc(-n3cnnn3)cc2O)CC1=O 218393243 SLVNOCDIBGUBNA-SNVBAGLBSA-N 330.348 0.107 70 50 ECIA CC(C)(C)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1 275694859 QCNWZOFJNAVQMG-UHFFFAOYSA-N 338.382 0.700 70 50 ECIA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(CC3CC3)CC2)c1 161182515 XXHYPFYRJRDDGL-UHFFFAOYSA-N 337.445 0.810 70 50 ECIA Cn1nc2n(c1=O)C[C@@H](C(=O)NCc1ccc3c(c1)CCCO3)CC2 218304297 VOGUZVVEHWPQMF-AWEZNQCLSA-N 342.399 0.786 70 50 ECIA COC(=O)[C@H]1CCc2cc(OS(=O)(=O)C(F)(F)F)cc(=O)n21 306145235 UAKUKEWEPLTYNL-MRVPVSSYSA-N 341.263 0.737 70 50 ECIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCn2nnnc2C1 1875384640 HVHSSCICWGBYLL-QMMMGPOBSA-N 341.324 0.467 70 50 ECIA O=C(c1cnc2c(c1)CCCC2)N1CCn2nc([C@H](O)CO)cc2C1 217631900 LCZDSMNGKYGDAM-QGZVFWFLSA-N 342.399 0.839 70 50 ECIA COc1cccc([C@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)c1 888093144 YFUMBWWRQGKVQP-ZDUSSCGKSA-N 330.337 0.762 70 50 ECIA Cc1cc(C)nc(N2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)n1 218553106 IWSBDXHHFNGGFD-HNNXBMFYSA-N 344.419 0.822 70 50 ECIA O=C(NCCc1cnccn1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 217060395 LUDOKOZGRAPBQC-ZDUSSCGKSA-N 332.385 0.039 70 50 ECIA O=C1CN(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)C(=O)N1 218364558 BDBQUPAFYQBWTH-RMHZUWNSSA-N 343.383 0.301 70 50 ECIA O=C(CCn1ccccc1=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 218752662 DYIKNIHIKBIPDO-HUUCEWRRSA-N 343.383 0.986 70 50 ECIA COc1cccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)c1 888093138 YFUMBWWRQGKVQP-CYBMUJFWSA-N 330.337 0.762 70 50 ECIA Cn1cc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2=O)cn1 161024039 QYZZDILTBVOAHB-MRXNPFEDSA-N 339.399 0.310 70 50 ECIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2nc(C)nn2c1=O 218445566 NDTDVZZLUCNOCY-NOZJJQNGSA-N 335.408 0.490 70 50 ECIA O=C(CCCn1cncn1)NCCc1nc(-c2cccnc2)no1 218394811 ZBPGWDDQRXCDMJ-UHFFFAOYSA-N 327.348 0.862 70 50 ECIA C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 160972778 AIQQNPCFDGJMAD-LLVKDONJSA-N 343.449 0.828 70 50 ECIA Cc1nc(O)cc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)n1 218460368 PTJSKEFYZBTUQN-AWEZNQCLSA-N 325.332 0.383 70 50 ECIA CN(CCS(C)(=O)=O)C(=O)c1csc(S(=O)(=O)Cl)c1 124938155 DROUNFSSEHCECJ-UHFFFAOYSA-N 345.851 0.792 70 50 ECIA CO[C@H]1CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC12CC2 1875384154 CZKNRCHCTJCHKJ-NSHDSACASA-N 330.337 0.926 70 50 ECIA COc1cncc([C@H](NC(=O)CN2CCOCC2)[C@H]2C[C@@H](O)C2)c1 218112759 OLOPIQHTGHQHSK-SUYBPPKGSA-N 335.404 0.351 70 50 ECIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2cccnc2=O)cn1 218362671 CLIFWTMPHZOOPZ-CABCVRRESA-N 344.371 0.299 70 50 ECIA O=C1N[C@H]2CC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 218066403 HDQCTQQJDZTJQV-OLZOCXBDSA-N 336.413 0.587 70 50 ECIA CC(=O)NCCOc1ccc(C(=O)N(C)C[C@H]2COCCO2)cc1 217559286 AANVAHKTHGZYDZ-INIZCTEOSA-N 336.388 0.689 70 50 ECIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1cccnc1N)C2 218453244 IYCTXXPXGLBESY-INIZCTEOSA-N 339.403 0.691 70 50 ECIA C[C@H](O)c1cc2n(n1)CCN(Cc1cc(=O)n3cccc(O)c3n1)C2 216971561 PRZVUJJDQDSEGM-NSHDSACASA-N 341.371 0.666 70 50 ECIA COc1ccc([C@H](NC(=O)CN2CCOCC2)C2CC(O)C2)cn1 218053134 SVFKSGDICXSSDF-KVULBXGLSA-N 335.404 0.351 70 50 ECIA C[C@]1(C(N)=O)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 218152695 NNCFONBAORMLOL-INIZCTEOSA-N 338.429 0.747 70 50 ECIA CC(C)Oc1ccc2nnc(CCC(=O)N[C@H](CO)C(C)C)n2n1 218382149 YQRHJDIDLXUQLH-GFCCVEGCSA-N 335.408 0.977 70 50 ECIA CC(C)(C(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)N1CCOCC1 218599523 ZVVONQFRUUBCDK-ULQDDVLXSA-N 347.459 0.991 70 50 ECIA Cc1ccc(NCCCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)nc1 218569297 GLJCJYINLJJHIM-UHFFFAOYSA-N 331.376 0.167 70 50 ECIA CC(C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217730347 ONSLUBGRRJLVBK-UONOGXRCSA-N 348.399 0.897 70 50 ECIA biogenic COCCNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 218252723 DDJKHYIBAGUCFG-UHFFFAOYSA-N 325.390 0.775 70 50 ECIA Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1 216926026 QWYYIONEDQVPTC-ZDUSSCGKSA-N 336.779 0.993 70 50 ECIA Cc1n[nH]c(C2CC2)c1C(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 217737692 QUJPMDQDXUPKPK-AWEZNQCLSA-N 345.403 0.864 70 50 ECIA O=C1CCC(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)=NN1 218461633 CLZNVFBWUBMMIR-ZIAGYGMSSA-N 346.387 0.780 70 50 ECIA CN1CCC(C(=O)NC[C@@H]2CN(C)C(=O)CO2)(c2ccccc2)CC1 217524762 KSDIHUPAKPXNAG-MRXNPFEDSA-N 345.443 0.623 70 50 ECIA CC(C)c1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n[nH]1 160516351 RSQFXQMKFFQHSJ-MNOVXSKESA-N 328.438 0.981 70 50 ECIA O=S(=O)(F)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 1875374388 NJIVZRBELGKXTM-UHFFFAOYSA-N 325.339 0.301 70 50 ECIA CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 218228202 KXUWXNISRTYLFX-JSGCOSHPSA-N 348.403 0.691 70 50 ECIA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](C)CO)C2=O)cc1 217840953 DPEKHJBFLUYXDP-FZMZJTMJSA-N 349.387 0.045 70 50 ECIA biogenic Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2nccnc2O)cn1 218181291 YYNRRWDWAVMWCH-OLZOCXBDSA-N 330.344 0.852 70 50 ECIA O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc[nH]n1 218180668 CIVDPWXGEKJWBU-NSHDSACASA-N 328.332 0.644 70 50 ECIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 218696797 XFVOULJVSZYEEO-INIZCTEOSA-N 343.387 0.799 70 50 ECIA Cc1ccc(O)cc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C 218418735 SDXOMCMOUJICEE-HUUCEWRRSA-N 336.388 0.693 70 50 ECIA Cc1noc(C)c1CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 217566150 BMEGXJXGOHFXNK-HNNXBMFYSA-N 334.376 0.489 70 50 ECIA CS(=O)(=O)CCN1CCCn2nc([C@@H](O)C3CCC3)cc2C1 218563680 JIRZWPDHGMZWIN-HNNXBMFYSA-N 327.450 0.967 70 50 ECIA Cc1n[nH]cc1CN(C)C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 218301991 VMLLCGFDQNEGIT-ZDUSSCGKSA-N 328.438 0.186 70 50 ECIA CNc1ccnc(N2CCN(Cc3cccnc3N)C[C@@H](O)C2)n1 216927485 FAFAZWZMOGCTAI-CYBMUJFWSA-N 329.408 0.179 70 50 ECIA NC(=O)COc1ccc(C(=O)N2CCCn3nc(CO)cc3C2)cc1 217363762 DNFGBCABMUGRNE-UHFFFAOYSA-N 344.371 0.286 70 50 ECIA C[C@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[nH]1 218432967 UBCNEECBEQNXMA-VIFPVBQESA-N 343.347 0.743 70 50 ECIA CCc1nn(C)c(Cl)c1CN1CCn2nc([C@@H](O)CO)cc2C1 217026660 GJMLQKROEQIQNV-AWEZNQCLSA-N 339.827 0.874 70 50 ECIA Cn1ncnc1[C@H](NC(=O)Cn1c(=O)oc2ccccc21)C1CC1 218766810 OVAFGVCTARVNNV-CQSZACIVSA-N 327.344 0.991 70 50 ECIA COCCn1ccnc1CN1CCCn2nc([C@H](O)CO)cc2C1 217602055 RQUITACDYWVMBE-OAHLLOKOSA-N 335.408 0.158 70 50 ECIA Cn1nc2n(c1=O)C[C@H](C(=O)NCc1ccc3c(c1)CCCO3)CC2 218304356 VOGUZVVEHWPQMF-CQSZACIVSA-N 342.399 0.786 70 50 ECIA CSCc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)o1 218583091 ZUPYBERFFXSLQM-KBPBESRZSA-N 339.461 0.575 70 50 ECIA COCCNC(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 218320161 UCJPBLXFYVOCFS-HNNXBMFYSA-N 348.407 0.260 70 50 ECIA O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccncc1 218249376 VAXILJRTIALNJH-UHFFFAOYSA-N 345.355 0.885 70 50 ECIA Cc1cc(=O)[nH]c(CCNC(=O)c2ccccc2N2CCOCC2)n1 218545919 RVBMDYVUPFQLEX-UHFFFAOYSA-N 342.399 0.887 70 50 ECIA Cn1nnnc1SCCNC(=O)CN1CC[C@H](c2ccccc2)C1 218385719 KOSHWNFWNDWMJP-AWEZNQCLSA-N 346.460 0.908 70 50 ECIA Cc1nc(CCN(C)C(=O)[C@@H](Cc2ccccc2)n2cnnn2)no1 218172596 TXVUPHGINVGEDE-CQSZACIVSA-N 341.375 0.849 70 50 ECIA C[C@@H]1C[C@H](CO)CCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385049 LODIJSKYJUBTRB-NXEZZACHSA-N 332.353 0.908 70 50 ECIA COc1ccnc(C(=O)N2CCC(c3nnc(CO)n3C)CC2)c1 218155660 GGCNGGYIURUANS-UHFFFAOYSA-N 331.376 0.731 70 50 ECIA CCC(CC)C(=O)N1CCn2nc([C@@H](O)CS(C)(=O)=O)cc2C1 218132441 BCEZMCAMKCGNRF-AWEZNQCLSA-N 343.449 0.740 70 50 ECIA CN1N=C(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)CCC1=O 218262744 CQAZHSXYEBAODT-GUTXKFCHSA-N 330.388 0.488 70 50 ECIA COc1ccc(F)cc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 216918350 PNNWXGDZCIRQCA-AWEZNQCLSA-N 335.335 0.713 70 50 ECIA Cc1nc2c(s1)CCC[C@H]2NC(=O)CCn1ccc(=O)[nH]c1=O 218296041 HWGPWXXLQJRWAZ-SNVBAGLBSA-N 334.401 0.885 70 50 ECIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(O)c1 218287852 HYHODYZCTNBQQP-LLVKDONJSA-N 333.344 0.522 70 50 ECIA Cn1nc(-c2cccs2)cc1C(=O)NCCc1noc(CO)n1 218755282 GXOCSEDCYPVIDZ-UHFFFAOYSA-N 333.373 0.996 70 50 ECIA Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)[nH]1 218270851 QFHZORMMMWYETI-TXEJJXNPSA-N 344.419 0.549 70 50 ECIA Nc1nc2c(c(C(=O)N3CCn4nc(CO)cc4C3)n1)CCCC2 217437498 JLDVAYWEAVRCRF-UHFFFAOYSA-N 328.376 0.282 70 50 ECIA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1n[nH]c(C)n1 217067508 MNMCWVYQNQFHAX-SSDOTTSWSA-N 339.377 0.260 70 50 ECIA COc1cc2ncn(CC(=O)N[C@H](CO)C(C)C)c(=O)c2cc1OC 217871874 BPAUWCZFGPXDIU-CYBMUJFWSA-N 349.387 0.547 70 50 ECIA biogenic O=C(c1ccccc1N1CCOCC1)N1CCn2nc(CO)cc2C1 217191183 OPXJSVVNSSUUJT-UHFFFAOYSA-N 342.399 0.868 70 50 ECIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)C2=NN(C)C(=O)CC2)cn1 218462536 YHSLOFNBDDFSQT-HIFRSBDPSA-N 346.387 0.651 70 50 ECIA COC(=O)c1cc(NC2=CC(=O)N(C(C)=O)C2)cc(C(=O)OC)c1 218484446 GMKRHOMWAJXQPI-UHFFFAOYSA-N 332.312 0.944 70 50 ECIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CC1=CSC3=NCCN13)CC2 217025202 VMERHOILHWIQRY-UHFFFAOYSA-N 345.428 0.655 70 50 ECIA COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1nc(C)c[nH]1 217207987 HKWJDCZIIHMQIF-UHFFFAOYSA-N 338.389 0.646 70 50 ECIA C#CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@H]1CCOC1 1875385381 RZORMYRFJXGDCP-NSHDSACASA-N 328.321 0.539 70 50 ECIA Cn1cc([C@@H](NC(=O)c2nc3cccnc3[nH]2)[C@H]2C[C@@H](O)C2)cn1 218067905 AYKGJWQCCHLZDN-GAFUQQFSSA-N 326.360 0.933 70 50 ECIA CCOCCn1nc(C)cc1C(=O)N1CCn2nc(CO)cc2C1 217167138 ZYORKDHQJALWKZ-UHFFFAOYSA-N 333.392 0.573 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3c(=O)[nH]1)C2 217767549 OAZHZOVELMJGKX-SNVBAGLBSA-N 339.355 0.829 70 50 ECIA CCC(CC)C(=O)N1CCn2nc([C@H](O)CS(C)(=O)=O)cc2C1 218132522 BCEZMCAMKCGNRF-CQSZACIVSA-N 343.449 0.740 70 50 ECIA CC(C)c1noc([C@H]2CCCN(C(=O)Cc3cc(=O)[nH][nH]c3=O)C2)n1 218461122 JDCGMOVVLPFPME-JTQLQIEISA-N 347.375 0.518 70 50 ECIA Cc1nc(C)n(CCCNC(=O)[C@H](c2ccccc2)n2cnnn2)n1 218296153 JKYIKZTVZYHVPT-HNNXBMFYSA-N 340.391 0.677 70 50 ECIA Cn1ncnc1[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)C1CC1 218766778 OVAFGVCTARVNNV-AWEZNQCLSA-N 327.344 0.991 70 50 ECIA O=C(COC[C@@H]1CCCCO1)NCc1nc(-c2cnccn2)n[nH]1 216988878 XLZZGRWYAFRLKM-NSHDSACASA-N 332.364 0.464 70 50 ECIA O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 218707390 OUVKJPRPNMJRCM-ZFWWWQNUSA-N 340.807 0.492 70 50 ECIA CN1C[C@]2(CCN(C(=O)CN3CCOc4ccccc4C3)C2)OC1=O 217486689 SCWCITODANNGTL-SFHVURJKSA-N 345.399 0.934 70 50 ECIA Cc1ccc(S(=O)(=O)N2CCn3nc([C@H](O)CO)cc3C2)s1 217193282 WJNRWLQKRMJGOS-GFCCVEGCSA-N 343.430 0.483 70 50 ECIA CCn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N(CCOC)C3)cn1 216772533 NQACXSARNJCYJX-KBPBESRZSA-N 342.465 0.634 70 50 ECIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cn1cnc3ccccc3c1=O)C2 217523213 ZGAZDIMLZZYDHO-OLZOCXBDSA-N 340.383 0.476 70 50 ECIA Cc1nc(CCN(C)C(=O)[C@H](Cc2ccccc2)n2cnnn2)no1 218172682 TXVUPHGINVGEDE-AWEZNQCLSA-N 341.375 0.849 70 50 ECIA O=C1CN(C(=O)CN2CCO[C@@]3(CCc4ccccc43)C2)CCN1 159591128 CMYVPWKCXPXEAH-SFHVURJKSA-N 329.400 0.119 70 50 ECIA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1n[nH]c(C)n1 217067475 MNMCWVYQNQFHAX-ZETCQYMHSA-N 339.377 0.260 70 50 ECIA CC(C)(O)CCc1cccc(C(=O)NCc2c[nH]c(=O)[nH]c2=O)c1 218063366 GTRKCNIBFYFMAR-UHFFFAOYSA-N 331.372 0.697 70 50 ECIA O=C(CCCn1cncn1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218444133 GQNLEUBKDMUSEJ-ZIAGYGMSSA-N 331.376 0.806 70 50 ECIA Cc1c[nH]c(CN2CCCn3nc([C@@H](O)CO)cc3C2)c(C)c1=O 217443514 DJEJROOVDRJCFX-INIZCTEOSA-N 332.404 0.620 70 50 ECIA CN1C(=O)C[C@@H](C(=O)N2Cc3cnn(CCO)c3C2)c2ccccc21 216963162 MCXPYIZBWGFRIG-CQSZACIVSA-N 340.383 0.868 70 50 ECIA Cc1cc(C)n([C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)n1 218678340 RPCBFNPOCQCKMP-LBPRGKRZSA-N 331.376 0.201 70 50 ECIA CC(C)CC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 274571389 CBVFHPJWFSBXSF-UHFFFAOYSA-N 338.382 0.700 70 50 ECIA O=C(NCCc1nnc2ccccn12)C1(n2cnnn2)CCCCC1 218607811 CWZUVOKBLHXBKX-UHFFFAOYSA-N 340.391 0.734 70 50 ECIA CCCCN1CCN(c2cncc(C(=O)N3CCCC3)n2)C[C@@H](O)C1 217847485 AFRKOHCWGZOKBX-HNNXBMFYSA-N 347.463 0.996 70 50 ECIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Cn1ccc(=O)[nH]c1=O 217831681 RIRRPABBJZKPST-UHFFFAOYSA-N 331.307 0.211 70 50 ECIA Cc1c[nH]c(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)n1 218337825 HLZQRNTXZGGJBS-UHFFFAOYSA-N 329.408 0.289 70 50 ECIA Cc1nnnn1-c1ccccc1C(=O)NCCc1nnc2ccccn12 218502027 BYOSDWLZDMEDEB-UHFFFAOYSA-N 348.370 0.986 70 50 ECIA Nc1nc(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)cs1 218036885 UAFUCWGBTWMNGR-GFCCVEGCSA-N 329.389 0.660 70 50 ECIA COc1ccc(CCNC(=O)CN2CCn3nc(CO)cc3C2)cc1 217638323 SPAOVMRIUVCPDI-UHFFFAOYSA-N 344.415 0.559 70 50 ECIA CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COCCO2)cc1 217434945 JOWHKCDUJZXBHR-CYBMUJFWSA-N 342.417 0.520 70 50 ECIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)C1CC1)C2 218775889 SUTOCEHRNHPCKK-ZDUSSCGKSA-N 337.405 0.006 70 50 ECIA CC(C)S(=O)(=O)CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 217734634 RQJSIQCENAQRDJ-LLVKDONJSA-N 329.422 0.492 70 50 ECIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nnnn1-c1ccccc1 217169109 XIFGCJRLRCINSV-NSHDSACASA-N 333.373 0.227 70 50 ECIA O=C(c1cnc(C2CC2)nc1)N1CCCn2nc([C@@H](O)CO)cc2C1 217519356 QYISSTIBLFLKBC-HNNXBMFYSA-N 343.387 0.622 70 50 ECIA Cn1nc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)ccc1=O 218091923 PPZWKGFMXLSDGR-HUUCEWRRSA-N 344.371 0.279 70 50 ECIA O=C(CCN1Cc2ccccc2C1=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217164636 YLVCGGBUYXARNA-ULAZLLGUSA-N 344.411 0.623 70 50 ECIA C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 160972643 AIQQNPCFDGJMAD-NSHDSACASA-N 343.449 0.828 70 50 ECIA CC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 218262413 KIOFFSGXUJZCOC-DGCLKSJQSA-N 347.423 0.259 70 50 ECIA COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cnccn1 217093938 CJQKOBFGYMACEJ-UHFFFAOYSA-N 336.373 0.105 70 50 ECIA Cc1nc(O)cc(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 218460292 PTJSKEFYZBTUQN-CQSZACIVSA-N 325.332 0.383 70 50 ECIA O[C@H]1CN(Cc2cnn3cccnc23)CCN(C2CCOCC2)C1 217815913 BCDHWDLOGKFHNT-INIZCTEOSA-N 331.420 0.387 70 50 ECIA COc1ccc2nnc(CCC(=O)N[C@H](CO)c3ccccc3)n2n1 218319734 ZANXOHIKVUQWPR-CYBMUJFWSA-N 341.371 0.915 70 50 ECIA CN1CCN2CCN(Cc3cc4ccccc4n(C)c3=O)C[C@@H]2C1=O 217723494 ARBSCIKRKHIKMM-QGZVFWFLSA-N 340.427 0.497 70 50 ECIA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ncccc1O 217945490 NZYFJGYNAZERFR-CQSZACIVSA-N 328.372 0.986 70 50 ECIA CSCC[C@H](NC(C)=O)C(=O)N1CCN(c2cccnc2)CC1 218209544 JIMBCVWIBNBHDN-HNNXBMFYSA-N 336.461 0.988 70 50 ECIA COC(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(OC)cc2)C1=O 218569503 BGBLVZBVHMIZEP-LBPRGKRZSA-N 349.343 0.189 70 50 ECIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385373 RSWGLKPZWQIFHZ-GHMZBOCLSA-N 334.325 0.208 70 50 ECIA Nc1nnc(CCNC(=O)c2ccccc2N2CCOCC2)s1 218700147 IBXQCWWMDNHAAV-UHFFFAOYSA-N 333.417 0.929 70 50 ECIA COc1ccccc1OCCN1C[C@H](C(=O)Nc2nnc[nH]2)CC1=O 218444348 URELCKSBDHLBDM-LLVKDONJSA-N 345.359 0.679 70 50 ECIA O=C(N[C@H]1C[C@H](c2cc(N3CCOCC3)ncn2)C1)c1cn[nH]c1 218650376 NHTZNTFZUXTLMG-BJHJDKERSA-N 328.376 0.712 70 50 ECIA O=C1CN(C(=O)CN2CCC[C@@H](O)C2)CCN1CCc1ccccc1 218543706 VAIPRAUJXWKZAH-QGZVFWFLSA-N 345.443 0.357 70 50 ECIA Cc1nnc(SCC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)o1 217752430 WJRUKKXBRHHEBA-CYBMUJFWSA-N 326.378 0.961 70 50 ECIA Cc1c(C(=O)N2CCCn3nc(CO)cc3C2)cnc2cc(=O)[nH]n12 216988171 PAGWCJDQZPXFCD-UHFFFAOYSA-N 342.359 0.066 70 50 ECIA CN(c1cnn(C)c1)S(=O)(=O)c1ccccc1S(=O)(=O)F 253426520 WKADUJIVRLQFTM-UHFFFAOYSA-N 333.366 0.903 70 50 ECIA COc1cc(N2CCCn3nc([C@@H](O)CO)cc3C2)nc(OC)n1 217185230 ICLVLVMCEBYJGF-LBPRGKRZSA-N 335.364 0.126 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 216970831 XWSGYJJFMSHKSW-LLVKDONJSA-N 341.433 0.494 70 50 ECIA O=C(NCCCc1nc2ccccc2o1)c1c[nH]nc1-n1cnnn1 218239403 IUSNCWVMIWHALZ-UHFFFAOYSA-N 338.331 0.889 70 50 ECIA Nc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)cn1 217373777 GFTMKLULEOPYBC-OAHLLOKOSA-N 327.388 0.862 70 50 ECIA O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-n2cnnn2)ccc1Cl 218573833 BEEDJDZDOMLYCG-QMMMGPOBSA-N 341.780 0.233 70 50 ECIA C[C@@]1(CNC(=O)c2cncc(OS(=O)(=O)F)c2)COCCO1 1875385558 VZTKBWKWRKSEKV-GFCCVEGCSA-N 334.325 0.210 70 50 ECIA Cc1cc(=O)[nH]c(NCCNC(=O)[C@H](O)c2ccc(Cl)cc2)n1 216926054 QWYYIONEDQVPTC-CYBMUJFWSA-N 336.779 0.993 70 50 ECIA CCc1nccn1CCC(=O)N1CCN(c2ncc[nH]c2=O)CC1 217526807 XVCFGLSPTNXCJW-UHFFFAOYSA-N 330.392 0.268 70 50 ECIA Cc1nc(N)ncc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218259771 MLZDGLHXUVAHPL-CHWSQXEVSA-N 329.360 0.729 70 50 ECIA CN(CCc1nc2ccccc2[nH]1)C(=O)Cc1cc(=O)[nH][nH]c1=O 217187071 ZRZQXBVSBULENI-UHFFFAOYSA-N 327.344 0.183 70 50 ECIA Cc1cc(=O)[nH]c(CCNC(=O)[C@@H](O)COc2ccccc2C)n1 218377359 PTAGWJQJSMZQAH-ZDUSSCGKSA-N 331.372 0.485 70 50 ECIA CSc1ncccc1C(=O)N1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 218660027 MORWFCNFECWUNY-KBPBESRZSA-N 336.461 0.236 70 50 ECIA O=C(Cn1nc2ccccc2n1)NCc1noc([C@H]2CCCO2)n1 218289041 UJDZZCHPMVSMDK-GFCCVEGCSA-N 328.332 0.982 70 50 ECIA Nc1nnnn1CC(=O)NCc1cc(-c2ccccc2Cl)on1 218681023 OEPIVIAJRJRYEY-UHFFFAOYSA-N 333.739 0.880 70 50 ECIA CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCS(=O)(=O)C1 218124931 GVZUCRVQMFLLGH-GFCCVEGCSA-N 349.412 0.903 70 50 ECIA CN(C)C(=O)c1ccc(CN2CCN(Cc3ncc[nH]3)C[C@@H](O)C2)o1 217195901 CEHSUCOLJRPWDH-ZDUSSCGKSA-N 347.419 0.383 70 50 ECIA Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)c(O)c1 218232798 JGQYZMVNGGYNTD-HIFRSBDPSA-N 336.388 0.693 70 50 ECIA COC[C@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1ccnn1C 218724649 XFTNYPWZNHSUKY-ZDUSSCGKSA-N 333.392 0.940 70 50 ECIA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nnc(C)o2)o1 217401358 JNMIBMYHTLFFSQ-CYBMUJFWSA-N 347.375 0.286 70 50 ECIA CC(C)N1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2O)CC1=O 218393161 SLVNOCDIBGUBNA-JTQLQIEISA-N 330.348 0.107 70 50 ECIA O=C(c1cccc2c1NCCC2)N1CCn2nc([C@H](O)CO)cc2C1 217958613 GKGPNPQIJDAYMO-MRXNPFEDSA-N 342.399 0.923 70 50 ECIA O=C1CO[C@@]2(CCN(S(=O)(=O)F)C2)CN1Cc1ccccc1 1875368366 LWOQAIBFHUEERU-AWEZNQCLSA-N 328.365 0.704 70 50 ECIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CCn2nncc2C1 1875387579 OMAVWQVVQPDEII-MRVPVSSYSA-N 341.324 0.467 70 50 ECIA COc1ncc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)nc1OC 217179536 CZMPDHTYLTVRSZ-SNVBAGLBSA-N 347.375 0.790 70 50 ECIA CN(CCOCCO)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875388378 YXDFJDPMQDURRR-UHFFFAOYSA-N 336.341 0.752 70 50 ECIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc(C2CC2)nc1 218010918 UTSKBNUUFMNIBD-HUUCEWRRSA-N 334.420 0.820 70 50 ECIA Cc1cc(=O)[nH]c(CCNC(=O)[C@H](O)COc2ccccc2C)n1 218377440 PTAGWJQJSMZQAH-CYBMUJFWSA-N 331.372 0.485 70 50 ECIA O=S(=O)(CCOc1ccccc1)N1CCn2nc(CO)cc2C1 217344762 VNBYXWDPEPQNLF-UHFFFAOYSA-N 337.401 0.600 70 50 ECIA CC(C)CC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1 275657694 LFJBQLLHJZHTIM-UHFFFAOYSA-N 338.382 0.700 70 50 ECIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1F 218585984 KMUFDTKERVBZIT-CHWSQXEVSA-N 346.380 0.397 70 50 ECIA CC(C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 217927766 YVZAQRVGDUEQKA-UONOGXRCSA-N 333.388 0.630 70 50 ECIA biogenic O[C@@H]1CN(Cc2ccco2)CCN(c2nnnn2-c2ccccc2)C1 217087429 RQBBHHUUEQPHJD-OAHLLOKOSA-N 340.387 0.938 70 50 ECIA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218698262 KMBCBGKEZIGGTP-SRMUXQRQSA-N 347.415 0.624 70 50 ECIA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)cc1 217363968 QAGIBJFXRSMDMJ-FVQHAEBGSA-N 335.473 0.767 70 50 ECIA CN(c1ccn(C)n1)S(=O)(=O)c1ccccc1S(=O)(=O)F 253423980 UOJZESZVZKJIFY-UHFFFAOYSA-N 333.366 0.903 70 50 ECIA Cc1nc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)sc1C 218711316 ZZZLNRQVNJCCPF-LLVKDONJSA-N 331.463 0.495 70 50 ECIA Cc1nc(CN2CCN(C(=O)CCn3nnnc3C)CC2)cs1 218681332 AHXGQPFSEHZFMI-UHFFFAOYSA-N 335.437 0.481 70 50 ECIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2cccc3c2n(c1=O)CC3 218245339 MZQPEDFBVTVHSF-LBPRGKRZSA-N 338.367 0.890 70 50 ECIA CCc1n[nH]c(SCC(=O)NCc2nnnn2-c2ccccc2)n1 218401436 YTJGVIOPPIRBTH-UHFFFAOYSA-N 344.404 0.751 70 50 ECIA Cc1nc(N)nc(C)c1CC(=O)N1CCCn2nc(CO)cc2C1 216933867 CBYFQPJSTIBDAY-UHFFFAOYSA-N 330.392 0.339 70 50 ECIA Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc3nc(C)cn3c2)n1 218284636 GLBVWHMSHNWXGM-UHFFFAOYSA-N 326.360 0.876 70 50 ECIA COCc1cccc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)n1 217371847 UHEKFSKDRIPBPK-INIZCTEOSA-N 346.387 0.496 70 50 ECIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)N1CCOCC1 218632137 NLBKOWJYFNXVBJ-HZPDHXFCSA-N 336.388 0.757 70 50 ECIA COc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(C)cc1=O 218183781 UUXVQOFMKAECQI-UHFFFAOYSA-N 342.399 0.909 70 50 ECIA CC[C@H]1CN(C)CCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385693 ZCKGXMNFZUMQEK-NSHDSACASA-N 331.369 0.841 70 50 ECIA Cc1nnc(CCNC(=O)Cn2cnc3ccccc3c2=O)s1 216963297 PMMSLVPOWVTJDV-UHFFFAOYSA-N 329.385 0.915 70 50 ECIA Cc1ncsc1CCNC(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 217199980 MMGPXWVIOLMUDK-LBPRGKRZSA-N 345.490 0.619 70 50 ECIA CN1CCC(C(=O)NC[C@H]2CN(C)C(=O)CO2)(c2ccccc2)CC1 217524842 KSDIHUPAKPXNAG-INIZCTEOSA-N 345.443 0.623 70 50 ECIA O=C(Cn1cc2ccccc2n1)N1CCn2nc([C@@H](O)CO)cc2C1 217949534 KYLSTXRJVNRXHG-INIZCTEOSA-N 341.371 0.301 70 50 ECIA O=C(NCCc1cnccn1)[C@H]1Cc2ccccc2S(=O)(=O)N1 217060430 LUDOKOZGRAPBQC-CYBMUJFWSA-N 332.385 0.039 70 50 ECIA C[C@H](NC(=O)c1c[nH]nc1-n1cnnn1)c1nncn1C1CCCC1 218254979 FLTALFIDHWFVDG-VIFPVBQESA-N 342.367 0.583 70 50 ECIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2ccccc2=O)cn1 218197983 FRGCNZRABGLJBE-CVEARBPZSA-N 343.383 0.904 70 50 ECIA Cc1nnc(SCC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)o1 217752334 WJRUKKXBRHHEBA-ZDUSSCGKSA-N 326.378 0.961 70 50 ECIA Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2nc3ccccc3n2)C1 218047124 HPTWKMGQHCSAJO-XYPYZODXSA-N 341.375 0.115 70 50 ECIA COc1ccc([C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]2C[C@H](O)C2)cn1 218227260 MPFXWZNGMRZYMS-BFQNTYOBSA-N 344.371 0.426 70 50 ECIA O=C(c1ccc(S(=O)(=O)NC2CCC2)cc1)N1CC[C@@H]2CNC[C@@H]21 216895266 WFKDXKONMGISPB-CJNGLKHVSA-N 349.456 0.951 70 50 ECIA O=C(COC[C@H]1CCCCO1)NCc1nc(-c2cnccn2)n[nH]1 216988887 XLZZGRWYAFRLKM-LLVKDONJSA-N 332.364 0.464 70 50 ECIA Cc1cc(C)n2nc(CC(=O)N3CCn4nc(CO)cc4C3)nc2n1 217405301 MJKBDMZHURBZBD-UHFFFAOYSA-N 341.375 0.015 70 50 ECIA COc1cn(CC(=O)NCc2nnc3ccccn23)c(C)cc1=O 218613885 MARVGPDWACIMJU-UHFFFAOYSA-N 327.344 0.524 70 50 ECIA CCc1nccn1CCC(=O)N1CCN(c2nccc(OC)n2)CC1 217392508 HEOLJTGOFGJSMB-UHFFFAOYSA-N 344.419 0.983 70 50 ECIA O=C(COC[C@H]1CCCCO1)N1CCN(c2ncc[nH]c2=O)CC1 217030544 JHSXTCSJSUTOHB-CYBMUJFWSA-N 336.392 0.004 70 50 ECIA Cc1ncsc1CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 217051723 WXOSHMCDSCFQIQ-UHFFFAOYSA-N 330.369 0.954 70 50 ECIA O=C(CCCN1CCCCC1=O)NCc1nc(-c2cnccn2)n[nH]1 217703161 OUAQSSBZUXOCPE-UHFFFAOYSA-N 343.391 0.671 70 50 ECIA COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(C)CC3)C2=O)cc1 218483652 JIPHVANFSNTNBE-AWEZNQCLSA-N 346.387 0.284 70 50 ECIA O=C(c1cc(=O)nc2sccn12)N1CCCn2nc(CO)cc2C1 217605628 LFWGUEYXDJBXAD-UHFFFAOYSA-N 345.384 0.491 70 50 ECIA CCCc1noc(CN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 217577095 NKZVFDKDMMLARW-UHFFFAOYSA-N 343.343 0.824 70 50 ECIA Cc1nccn1-c1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1 217142469 XVXZLRHAUSDMOX-UHFFFAOYSA-N 327.344 0.349 70 50 ECIA CSc1ncc(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1C 218473125 BEEYKOHVUZEJJP-UHFFFAOYSA-N 345.384 0.602 70 50 ECIA Cc1cc2[nH]c(CN3CCCn4nc(CO)cc4C3)cc(=O)n2n1 217735942 BXXJKYSBHRQJNR-UHFFFAOYSA-N 328.376 0.426 70 50 ECIA Cc1nccn1CC[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 218049218 KQTYFETYOSLGCX-OAHLLOKOSA-N 333.436 0.395 70 50 ECIA Cn1cc([C@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@H](O)C2)cn1 218205978 AAOOAZOQNDYVEF-OSAQELSMSA-N 326.360 0.705 70 50 ECIA Cc1ccc(S(=O)(=O)N2CCn3nc([C@@H](O)CO)cc3C2)s1 217193276 WJNRWLQKRMJGOS-LBPRGKRZSA-N 343.430 0.483 70 50 ECIA O=C(c1cnc(C2CC2)nc1)N1CCCn2nc([C@H](O)CO)cc2C1 217519440 QYISSTIBLFLKBC-OAHLLOKOSA-N 343.387 0.622 70 50 ECIA Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cc2cc(F)ccc2[nH]1 217825132 NNTHEGKAEUUIGT-UHFFFAOYSA-N 330.319 0.851 70 50 ECIA Cc1cc(C(=O)N2CCn3nc(CO)cc3C2)c2c(C)nn(C)c2n1 216919562 HTGHWXNXLAKRJH-UHFFFAOYSA-N 340.387 0.930 70 50 ECIA Cc1cccc2c(=O)c(C(=O)N3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)c[nH]c12 216998759 OSZBEKDYHZGLSZ-BETUJISGSA-N 339.351 0.523 70 50 ECIA CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)F)CC1 1875368258 DFDXXGXLXJBAQR-UHFFFAOYSA-N 331.413 0.963 70 50 ECIA Cc1cn(CC(=O)NCCc2nc3c(s2)CCCC3)c(=O)[nH]c1=O 218039262 OTROQPDIZQCWLD-UHFFFAOYSA-N 348.428 0.539 70 50 ECIA Cc1nnc(SCC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)o1 217113871 RAUCHSQZJJJHCI-CYBMUJFWSA-N 326.378 0.913 70 50 ECIA CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O 217643096 XICLQIYIOKSALS-QWHCGFSZSA-N 337.376 0.613 70 50 ECIA biogenic C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc(=O)[nH]c3ccccc13)C2 217735485 WZMAHVGFSMJLNY-JTQLQIEISA-N 339.355 0.829 70 50 ECIA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)nc3sccn13)C2 217891985 NWZOFVOFDDKRGC-VIFPVBQESA-N 345.384 0.662 70 50 ECIA CN(CC(=O)N1CCC(N2CCC[C@@H](O)C2)CC1)Cc1cccnc1 216843519 GVJOOAGBQLLOAG-GOSISDBHSA-N 346.475 0.961 70 50 ECIA CC(C)n1[nH]cnc1=NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385551 VWWUQTMVUREMQY-UHFFFAOYSA-N 329.313 0.521 70 50 ECIA COc1ccc2cc([C@@H](CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)[nH]c2c1 218401809 PRTBZVAVWSECBG-LLVKDONJSA-N 342.355 0.869 70 50 ECIA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CCCn2cncn2)C1 217779604 DIEHDRABPPOBRS-LBPRGKRZSA-N 333.396 0.085 70 50 ECIA C[C@H]1C(=O)NCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875383789 AUVGSHZQJPJOKD-QMMMGPOBSA-N 331.325 0.025 70 50 ECIA CC1(C)C(=O)NCCN1CC(=O)NCCn1ccc2ccccc21 218492929 HXTQDNBANIKUEV-UHFFFAOYSA-N 328.416 0.968 70 50 ECIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1noc(C2CCC2)n1 217045164 JMERZCFKGLPDMH-SNVBAGLBSA-N 325.390 0.944 70 50 ECIA Cc1nn(CCC(=O)N2CCN(CCn3cncn3)CC2)c(C)c1C 218715323 VRWJSMVBYCLUFI-UHFFFAOYSA-N 345.451 0.634 70 50 ECIA COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1 218597508 RMSIRTCVCYSANZ-ZDUSSCGKSA-N 333.344 0.369 70 50 ECIA O=S(=O)(c1cccnc1)N1CCN(Cc2csnn2)CC1 159905717 LECXTNDJNIIGSV-UHFFFAOYSA-N 325.419 0.440 70 50 ECIA COc1ccccc1CC(=O)N1CCCN(S(=O)(=O)F)CC1 1875368482 UODJAZSYDHFJHU-UHFFFAOYSA-N 330.381 0.986 70 50 ECIA COCCn1c(C)cc(C)c(C(=O)NCCc2nc(C)no2)c1=O 218450180 JZKRWISRMHFMOV-UHFFFAOYSA-N 334.376 0.775 70 50 ECIA Cc1cc(N)n(CC(=O)NC2CCN(Cc3cccnc3)CC2)n1 217491442 VARXIQFLHOXLOZ-UHFFFAOYSA-N 328.420 0.950 70 50 ECIA O=C(Cn1ccccc1=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 218655701 OSURKTHAEBPRRB-BVPBIZIASA-N 331.416 0.606 70 50 ECIA CC(=O)N1CC(Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)=CC1=O 218512557 YVDNKGOPZDFXMD-INIZCTEOSA-N 328.328 0.426 70 50 ECIA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCN(C)C)C=C2 217680498 YYQQTKLFQGQENS-UHFFFAOYSA-N 347.415 0.737 70 50 ECIA biogenic Cc1nn(C)cc1[C@H](C)NC(=O)c1sccc1S(N)(=O)=O 217694171 IZPRBRNWZQFIBA-ZETCQYMHSA-N 328.419 0.928 70 50 ECIA O=C(c1cc[nH]c1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 218368755 QZKULBYLZYNBHZ-UHFFFAOYSA-N 340.449 0.893 70 50 ECIA O=S(=O)(F)c1cccc(S(=O)(=O)N2CCCn3ncnc32)c1 460093818 MECFSAHXJXYPGT-UHFFFAOYSA-N 346.365 0.535 70 50 ECIA O=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218710049 NYIHLXOAZFIFFR-HUUCEWRRSA-N 329.356 0.596 70 50 ECIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 218178728 LZQZNXACKMRDFG-CHWSQXEVSA-N 349.430 0.172 70 50 ECIA CCN1CCC(CNC(=O)c2n[nH]c(N)c2Cl)(N(C)C)CC1 218240822 XIEMUKGYVQLMHF-UHFFFAOYSA-N 328.848 0.791 70 50 ECIA O=C(CN1CCC[C@@H](O)C1)NCCc1nc(Cc2ccccc2)no1 218264462 MPYXUVAGWIBHSY-OAHLLOKOSA-N 344.415 0.776 70 50 ECIA CC(C)c1nnsc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 216935996 WDNVBXXUKDHUJQ-LLVKDONJSA-N 337.405 0.540 70 50 ECIA CS(=O)(=O)c1ccc(C(=O)N2CCCn3nc(CO)cc3C2)cc1 217058020 HQYPLCQIABVNPV-UHFFFAOYSA-N 349.412 0.825 70 50 ECIA CSCc1noc(CN2CCCn3nc([C@@H](O)CO)cc3C2)n1 217879399 LCLGYZFRPOMNTJ-LBPRGKRZSA-N 339.421 0.561 70 50 ECIA Cc1noc(C)c1CCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1 217427565 CRRGHSGNINMJSR-MRXNPFEDSA-N 348.403 0.879 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)nc3sccn13)C2 217891902 NWZOFVOFDDKRGC-SECBINFHSA-N 345.384 0.662 70 50 ECIA CN1C(=O)COc2ccc(C(=O)N3CCn4nc(CO)cc4C3)cc21 217606911 MHWACWJFJIHIKW-UHFFFAOYSA-N 342.355 0.387 70 50 ECIA CCOC(=O)CCN(C)C(=O)CC1CCN(S(=O)(=O)F)CC1 1875374558 WPYVVSLWGRENGQ-UHFFFAOYSA-N 338.401 0.714 70 50 ECIA O=C(N1CCn2nc(CO)cc2C1)C1(N2CCOCC2)CCCCC1 217152954 NJNHNWBDMSUAIS-UHFFFAOYSA-N 348.447 0.753 70 50 ECIA COCCn1c(CN2CC(n3cccn3)C2)nnc1[C@H]1C[C@H](N)C1 218087992 NIFXFINFZNTFNH-BETUJISGSA-N 331.424 0.383 70 50 ECIA Cn1nc(C(=O)NCc2cnn3cccnc23)c2ccccc2c1=O 217422382 GDJSMMICPYGZTE-UHFFFAOYSA-N 334.339 0.906 70 50 ECIA CCNC(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 160843823 GSHLBBRQASXIMI-UHFFFAOYSA-N 328.376 0.755 70 50 ECIA O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccccc2)n[nH]1 217344003 QONHTAXOXURGPB-UHFFFAOYSA-N 339.355 0.633 70 50 ECIA CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2 218571525 QPQFARJSKXGZOB-CQSZACIVSA-N 345.403 1.000 70 50 ECIA C[C@H](NC(=O)c1cncc(OS(=O)(=O)F)c1)c1nncn1C 1875382213 UZEPHKWZNLSUMD-ZETCQYMHSA-N 329.313 0.294 70 50 ECIA Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C)C1 218085669 LVFSEQLEECJZLN-HAQNSBGRSA-N 333.392 0.907 70 50 ECIA Cc1cc(C)nc(N2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n1 218553184 IWSBDXHHFNGGFD-OAHLLOKOSA-N 344.419 0.822 70 50 ECIA COc1cc(N2CCCn3nc([C@H](O)CO)cc3C2)nc(OC)n1 217185239 ICLVLVMCEBYJGF-GFCCVEGCSA-N 335.364 0.126 70 50 ECIA C[C@@H](C(=O)N(C)C)N(C)C(=O)c1cncc(OS(=O)(=O)F)c1 1875384163 DCKKQTHIUZTMDM-QMMMGPOBSA-N 333.341 0.223 70 50 ECIA Cc1cccc(=O)n1CCC(=O)N1CCCn2nc(CO)cc2C1 217064320 GSQWURYAZCZDPN-UHFFFAOYSA-N 330.388 0.668 70 50 ECIA COCCn1c(C)cc(C)c(C(=O)NCCNc2ncccn2)c1=O 218525810 KFYKDALQFBOAMI-UHFFFAOYSA-N 345.403 0.743 70 50 ECIA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](c2nnc[nH]2)C1 217360842 ALOYUUSNJUDOBV-LBPRGKRZSA-N 338.371 0.921 70 50 ECIA COCCc1noc(CNC(=O)Cn2nc(C)c(C(C)=O)c2C)n1 218079063 AGEHOWTVHSHUPE-UHFFFAOYSA-N 335.364 0.591 70 50 ECIA Cc1noc([C@H]2CCCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)n1 218679918 XWUVCHBJUFAWGM-SNVBAGLBSA-N 335.364 0.762 70 50 ECIA CSCc1ccc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)o1 218250082 IXYMOVZURDCQSC-UHFFFAOYSA-N 349.416 0.771 70 50 ECIA Cc1cc(=O)c2ccccc2n1CC(=O)N1CC(N2CCOCC2)C1 218464265 HUEBEMWPRDSTKA-UHFFFAOYSA-N 341.411 0.853 70 50 ECIA CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 274628476 VAWLIZGBQJZBAR-UHFFFAOYSA-N 338.382 0.700 70 50 ECIA O=C(Cn1cc(-c2ccccc2)ncc1=O)N[C@H]1CCS(=O)(=O)C1 218274573 CYXKOGJWXRIZFZ-ZDUSSCGKSA-N 347.396 0.214 70 50 ECIA O=C(NCc1cccc(F)c1)N1CCn2nc([C@@H](O)CO)cc2C1 217154351 NSKWATBNUSCQCV-HNNXBMFYSA-N 334.351 0.773 70 50 ECIA Cc1c(CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)oc2ccccc12 218085760 VMSGPNGSHCJGTE-UHFFFAOYSA-N 327.340 0.987 70 50 ECIA COCCn1ccnc1CN1CCN(c2ccncc2)C[C@@H](O)C1 217215480 PWDJLWDFCBECJX-INIZCTEOSA-N 331.420 0.608 70 50 ECIA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1c(C)nc(O)nc1C 218569810 HAEFZQACADQJHB-GJZGRUSLSA-N 336.436 0.955 70 50 ECIA CN1N=C(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)CCC1=O 218262796 CQAZHSXYEBAODT-VNHYZAJKSA-N 330.388 0.488 70 50 ECIA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)C1=Cc2ccccc2OC=C1 218316382 IGUGYKYILHHOJF-GDBMZVCRSA-N 344.367 0.752 70 50 ECIA COc1coc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1=O 218435453 NGGNWKPGOITQSV-UHFFFAOYSA-N 344.249 0.915 70 50 ECIA CS(=O)(=O)CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218681684 KKVMADDXSXFKTN-KGLIPLIRSA-N 327.402 0.522 70 50 ECIA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(C)c(=O)[nH]c1=O 217562235 NOWSGZBJOBLJRB-UHFFFAOYSA-N 339.355 0.532 70 50 ECIA O=C(c1coc(CN2CCOCC2)c1)N1CCn2nc(CO)cc2C1 217615227 ATFCBNUWSSDUIQ-UHFFFAOYSA-N 346.387 0.457 70 50 ECIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1noc(C(F)(F)F)n1 216961477 ZQPFZEYPJQVPPE-ZETCQYMHSA-N 339.295 0.696 70 50 ECIA CN1C(=O)C[C@H](C(=O)N2Cc3cnn(CCO)c3C2)c2ccccc21 216963177 MCXPYIZBWGFRIG-AWEZNQCLSA-N 340.383 0.868 70 50 ECIA COC(=O)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(C)C 218253305 RASMQDXDALGPPB-INIZCTEOSA-N 335.404 0.826 70 50 ECIA O[C@H]1CN(Cc2nnc(-c3ccco3)o2)CCN(c2cnccn2)C1 217137082 LYFDDDMLPVITBO-LBPRGKRZSA-N 342.359 0.803 70 50 ECIA O=C(CN1CCC[C@H](O)C1)NCCc1nc(Cc2ccccc2)no1 218264525 MPYXUVAGWIBHSY-HNNXBMFYSA-N 344.415 0.776 70 50 ECIA Cc1cc(CC(=O)N2CCN(c3ccc4nccn4n3)CC2)on1 218198487 ATLFJDBLIYDLTH-UHFFFAOYSA-N 326.360 0.917 70 50 ECIA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1nc(Cl)n[nH]1 218438721 PBJAUYIXDCSUEE-GHMZBOCLSA-N 345.831 0.243 70 50 ECIA CN(C)C1=NC2(CCN(C(=O)C(=O)Nc3ccccc3)CC2)C(=O)N1 218262185 MNWGGNUNYUZVOF-UHFFFAOYSA-N 343.387 0.034 70 50 ECIA CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cnc(O)cn2)CC1 217989741 CQAYCPHGLXAPCP-AWEZNQCLSA-N 333.436 0.814 70 50 ECIA O=C(CCN1Cc2ccccc2C1=O)N1CCn2nc(CO)cc2C1 217861601 ZFZBEBHPEUDRHJ-UHFFFAOYSA-N 340.383 0.764 70 50 ECIA COc1cccc(N2C[C@H](NC(=O)c3cnc(N)nc3C)CC2=O)c1 218327073 IHYSSXFMKIPFFF-LLVKDONJSA-N 341.371 0.911 70 50 ECIA CSCC[C@@H](CO)NC(=O)Cn1cnc2ccsc2c1=O 218287418 NGISIJDLOLUZDG-VIFPVBQESA-N 327.431 0.688 70 50 ECIA CCn1nc(C(C)C)cc1C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 216657238 YXJHFSDOFSZQPN-OCCSQVGLSA-N 340.449 0.237 70 50 ECIA Cc1ccc2[nH]c(CCNC(=O)CC[C@@H]3NC(=O)NC3=O)nc2c1C 218774842 KPRVONKFTCNHQD-LBPRGKRZSA-N 343.387 0.827 70 50 ECIA Cn1cc([C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2C[C@H](O)C2)cn1 218205900 AAOOAZOQNDYVEF-LNSITVRQSA-N 326.360 0.705 70 50 ECIA CN(CC(=O)NCc1nnnn1-c1ccccc1)Cc1ccncc1 217810270 PVCRTCMXPBTXSK-UHFFFAOYSA-N 337.387 0.806 70 50 ECIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1O)C2 217399822 BGZVVFHTMAEIQJ-HBYGRHMLSA-N 329.360 0.865 70 50 ECIA CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCNCC2)c1 159436172 JPCVBJARYVZKLV-UHFFFAOYSA-N 347.234 0.898 70 50 ECIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)n(C)c(=O)n2C 218273005 YMUCMGZHBYSCEM-JTQLQIEISA-N 329.360 0.209 70 50 ECIA O=C1CNc2ccc(C(=O)N3CCn4nc(CO)cc4C3)cc2N1 217197551 LUYGVGDXTSZGNO-UHFFFAOYSA-N 327.344 0.395 70 50 ECIA COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H](C)CO)C2=O)cc1 217753325 KCNKIROAJPNHMM-FZMZJTMJSA-N 349.387 0.393 70 50 ECIA biogenic CC(C)C1=NO[C@@H](C(=O)N2CCN(c3ccnc4nncn34)CC2)C1 217439057 AFKKEIBNXDHCPG-CYBMUJFWSA-N 343.391 0.574 70 50 ECIA O=c1c(NCCO)c(N2CCN(Cc3ccccc3Cl)CC2)c1=O 218235970 UTYDZVSGNWIWOZ-UHFFFAOYSA-N 349.818 0.662 70 50 ECIA COc1ccc2oc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)nc2c1 218489596 NSRUVBCPMZNMHW-VIFPVBQESA-N 332.316 0.441 70 50 ECIA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1nnc(C2CC2)o1 216837751 HEBBDVGAJPSLAM-OCCSQVGLSA-N 333.436 0.931 70 50 ECIA C[C@@H](NC(=O)c1cncc(OS(=O)(=O)F)c1)c1nncn1C 1875382212 UZEPHKWZNLSUMD-SSDOTTSWSA-N 329.313 0.294 70 50 ECIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1nc2cc(F)ccc2[nH]1 216994532 RHUOKIPDVOSJEV-AWEZNQCLSA-N 344.350 0.789 70 50 ECIA O=C(Cn1cc(-c2ccccc2)ncc1=O)N[C@@H]1CCS(=O)(=O)C1 218274534 CYXKOGJWXRIZFZ-CYBMUJFWSA-N 347.396 0.214 70 50 ECIA C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(=O)n3cccc(O)c3n1)C2 216971540 PRZVUJJDQDSEGM-LLVKDONJSA-N 341.371 0.666 70 50 ECIA C[C@@]1(C(N)=O)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 218152627 NNCFONBAORMLOL-MRXNPFEDSA-N 338.429 0.747 70 50 ECIA O=C(Cn1ccc2ccccc2c1=O)NCCCS(=O)(=O)F 2325886029 XPTPRDFOOWGJFM-UHFFFAOYSA-N 326.349 0.807 70 50 ECIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(c2noc(C)n2)CC1 218301262 RFBRMTYXKAGDAC-AWEZNQCLSA-N 346.391 0.555 70 50 ECIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cn1cnnc1 218780290 XZLLTRHBIYUGRV-KGLIPLIRSA-N 335.364 0.373 70 50 ECIA Cc1ncn(CCNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)c1C 217336011 BJOGUAGINZRSKA-AWEZNQCLSA-N 342.465 0.125 70 50 ECIA CN1CCN(CC[C@H]2CCCCN2C(=O)c2cnc(O)cn2)CC1 217989820 CQAYCPHGLXAPCP-CQSZACIVSA-N 333.436 0.814 70 50 ECIA Nc1nnc([C@@H](NC(=O)C2=NNC(=O)CC2)c2ccccc2)s1 218148229 VVVUHCOYBLDLKD-NSHDSACASA-N 330.373 0.592 70 50 ECIA CNc1nc(CN2CCN(c3nccc(N)n3)C[C@@H](O)C2)cs1 217476497 NZKUTNFRMCTDPK-NSHDSACASA-N 335.437 0.240 70 50 ECIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCc2ncncc2C1 1875385626 XQUQRPXVHKGPFJ-UHFFFAOYSA-N 338.320 0.663 70 50 ECIA COC(=O)N1CCCC[C@@H]1C(=O)NCCSc1nnnn1C 218563955 QIBOAMRFSDMOFD-SECBINFHSA-N 328.398 0.039 70 50 ECIA CC(C)(CN1CCN(c2ccncc2)C[C@@H](O)C1)N1CCOCC1 217364356 OXZWUOUDHGQOBX-KRWDZBQOSA-N 334.464 0.675 70 50 ECIA CC(C)C[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 217873616 OMTTWQNKNWPMKG-AAEUAGOBSA-N 337.376 0.613 70 50 ECIA biogenic Nc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cn1 217373697 GFTMKLULEOPYBC-HNNXBMFYSA-N 327.388 0.862 70 50 ECIA Cc1cc(=O)[nH]c(CCNC(=O)c2n[nH]c(=O)c3ccccc23)n1 217199703 OEMUBTHIULJXCB-UHFFFAOYSA-N 325.328 0.287 70 50 ECIA C[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2[nH]1 218556392 IWPZELPPONOHMH-QMMMGPOBSA-N 328.332 0.557 70 50 ECIA COC(=O)C[C@H](c1ccncc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218073353 ZELJUTCPBWXEAW-SNVBAGLBSA-N 332.312 0.957 70 50 ECIA biogenic Cn1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(=O)[nH]c1=O 217695873 WICXJIXQQSOAAK-UHFFFAOYSA-N 347.346 0.896 70 50 ECIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CCOCC1 218169871 DMAIYROILQVAHR-UHFFFAOYSA-N 337.401 0.872 70 50 ECIA O=C(CN1CCOc2ccccc2C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 217216139 NXOGPYRPXMMXGF-ZYGGUILKSA-N 346.427 0.471 70 50 ECIA O=C1CN(C(=O)CN2CCO[C@]3(CCc4ccccc43)C2)CCN1 159590991 CMYVPWKCXPXEAH-GOSISDBHSA-N 329.400 0.119 70 50 ECIA CC(C)c1noc([C@@H]2CCCN(C(=O)Cc3cc(=O)[nH][nH]c3=O)C2)n1 218461031 JDCGMOVVLPFPME-SNVBAGLBSA-N 347.375 0.518 70 50 ECIA COCCn1cnnc1CCNC(=O)c1cc2c(cc1C)OCCO2 218613351 RFDAKCOJAOKFLN-UHFFFAOYSA-N 346.387 0.977 70 50 ECIA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ncccc1O 217945411 NZYFJGYNAZERFR-AWEZNQCLSA-N 328.372 0.986 70 50 ECIA CC(C)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n[nH]1 160516225 RSQFXQMKFFQHSJ-QWRGUYRKSA-N 328.438 0.981 70 50 ECIA COc1ccc(OC)c(CC(=O)NCCc2nc(C)cc(=O)[nH]2)c1 218149525 YDLCPBHIRDIAEI-UHFFFAOYSA-N 331.372 0.997 70 50 ECIA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCn2nc(CO)cc2C1 217131847 PAQZPOGPBKSGDS-UHFFFAOYSA-N 339.355 0.658 70 50 ECIA Cc1cc(=O)cc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)o1 217197476 RLDLPQXGMQGWBU-UHFFFAOYSA-N 333.388 0.375 70 50 ECIA Nc1nnnn1CC(=O)N1CCC[C@@H](COc2ccccc2F)C1 217824316 ZHOZGHMXYXOBLM-LLVKDONJSA-N 334.355 0.712 70 50 ECIA Cc1nnc(CCNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)s1 218398150 FNDDTJNDUKCCIY-UHFFFAOYSA-N 347.379 0.998 70 50 ECIA CC(=O)N1CCOC[C@H]1C(=O)N1CCN(c2ccccc2C)CC1 160225999 FBJWJUZYGBWJHM-KRWDZBQOSA-N 331.416 0.891 70 50 ECIA O=C(c1cccc(OC(F)F)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 218008615 AYGZOYNDPIZMGB-KBPBESRZSA-N 342.342 0.806 70 50 ECIA COc1ccc2[nH]c(=O)c([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)cc2c1 218322259 PEVNEPFFTIKHCA-NSHDSACASA-N 342.355 0.869 70 50 ECIA Cc1nccn1CC[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 218049160 KQTYFETYOSLGCX-HNNXBMFYSA-N 333.436 0.395 70 50 ECIA CC(C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 217835783 VAMJFSVZZLKQFG-LSDHHAIUSA-N 347.415 0.673 70 50 ECIA biogenic CCc1nnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)o1 218729204 QKLLKZMUEBSWDK-UHFFFAOYSA-N 340.361 0.218 70 50 ECIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1nnnn1-c1ccccc1 217169116 XIFGCJRLRCINSV-LLVKDONJSA-N 333.373 0.227 70 50 ECIA O=C(CCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCOC[C@H]1OCCO 218728625 SOMIFGDSXXEASK-UKRRQHHQSA-N 349.387 0.002 70 50 ECIA CN(C)C1=NC2(CCN(C(=O)CCc3cccnc3)CC2)C(=O)N1 218391725 GUHYDSHHLFOGDC-UHFFFAOYSA-N 329.404 0.423 70 50 ECIA CN1CCC(N2CCC[C@H]2C(=O)NCc2cnc3cnccn23)CC1 218622240 MHXLABLOLQHMMI-INIZCTEOSA-N 342.447 0.904 70 50 ECIA Cc1cc2[nH]cc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n2n1 217412096 NRIAGVOCBCYERN-UHFFFAOYSA-N 342.359 0.066 70 50 ECIA CCCn1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c(C)n1 216953398 QFUCRTYJAZIIEE-OAHLLOKOSA-N 333.392 0.480 70 50 ECIA COC[C@@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1ccnn1C 218724573 XFTNYPWZNHSUKY-CYBMUJFWSA-N 333.392 0.940 70 50 ECIA CN(C)[C@@H]1[C@@H](NC(=O)c2nc3ccccc3n(C)c2=O)[C@H]2CCO[C@H]21 218328935 GFPBCZJWSFJBOS-UCDYDWOKSA-N 342.399 0.381 70 50 ECIA Cn1c(C2CCN(C(=O)Cn3cnnn3)CC2)nc2ccccc21 217150602 CMYVDHMYWXDIJP-UHFFFAOYSA-N 325.376 0.966 70 50 ECIA O=C(CN1CCCn2nc(CO)cc2C1)NCCc1ccccc1 217054952 XXVJQLNLNGMMBB-UHFFFAOYSA-N 328.416 0.940 70 50 ECIA Cc1noc([C@@H]2CCCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)n1 218679846 XWUVCHBJUFAWGM-JTQLQIEISA-N 335.364 0.762 70 50 ECIA Nc1nccc(C2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)n1 217492611 VSBUAAGFDRLWAS-NSHDSACASA-N 336.417 0.713 70 50 ECIA O=C(NCCc1ccncc1)[C@H]1Cc2ccccc2S(=O)(=O)N1 217212928 RXQOQGVNBFVBEX-CQSZACIVSA-N 331.397 0.644 70 50 ECIA CN(C)C(=O)c1ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)o1 217007992 JVVCXTXWZSVACZ-AWEZNQCLSA-N 334.376 0.219 70 50 ECIA O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc[nH]n1 218303422 LZFVVTZQLFYWBM-LBPRGKRZSA-N 342.359 0.687 70 50 ECIA CS(=O)(=O)CCN1CCCn2nc([C@H](O)C3CCC3)cc2C1 218563757 JIRZWPDHGMZWIN-OAHLLOKOSA-N 327.450 0.967 70 50 ECIA COc1ccccc1-n1cc(CNC(=O)CN2C(=O)CNC2=O)cn1 217348885 FUGSTUNVUOUQKW-UHFFFAOYSA-N 343.343 0.049 70 50 ECIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 216970848 XWSGYJJFMSHKSW-NSHDSACASA-N 341.433 0.494 70 50 ECIA Cc1n[nH]c(C2CC2)c1C(=O)N1CCCn2nc([C@H](O)CO)cc2C1 217737785 QUJPMDQDXUPKPK-CQSZACIVSA-N 345.403 0.864 70 50 ECIA O=C(CCn1cnnn1)NC1CCN(C(=O)N2CCCCC2)CC1 216957533 VJTIBBRBSNMSPF-UHFFFAOYSA-N 335.412 0.250 70 50 ECIA C[C@@H](NC(=O)CCCc1nc(-c2ccncc2)no1)c1n[nH]c(=O)[nH]1 218432893 UBCNEECBEQNXMA-SECBINFHSA-N 343.347 0.743 70 50 ECIA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 216912025 GLYVVZDFEICFBB-NEPJUHHUSA-N 340.383 0.626 70 50 ECIA Cc1cc2c(cc1CN1CCN(C3CCNCC3)C[C@@H](O)C1)OCO2 217572227 NESCAIMGIDMNTP-KRWDZBQOSA-N 347.459 0.954 70 50 ECIA Cc1cc(C)n2c(C(=O)N(C)CC3(CO)CCOCC3)nnc2n1 218344591 FVOMQRBUOZVDMS-UHFFFAOYSA-N 333.392 0.602 70 50 ECIA Cc1cccc2oc(CNC(=O)CCn3ccc(=O)[nH]c3=O)nc12 218235391 BVLXQCSSUUORNQ-UHFFFAOYSA-N 328.328 0.693 70 50 ECIA O=C(c1cccc2c1NCCC2)N1CCn2nc([C@@H](O)CO)cc2C1 217958524 GKGPNPQIJDAYMO-INIZCTEOSA-N 342.399 0.923 70 50 ECIA CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217730259 ONSLUBGRRJLVBK-ZIAGYGMSSA-N 348.399 0.897 70 50 ECIA biogenic O=C(c1scc2c1OCCO2)N1CCN(Cc2nnc[nH]2)CC1 217153074 XPSHOCCGOHVUKD-UHFFFAOYSA-N 335.389 0.595 70 50 ECIA CN1CCC[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 217029745 XIGUWKAQDOIHRP-CQSZACIVSA-N 328.420 0.720 70 50 ECIA CN(CC(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1)Cc1cccnc1 217621647 HLGKZQIABRSMNL-KRWDZBQOSA-N 332.404 0.957 70 50 ECIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCn1cccn1 218369399 QCNUOMANDVKOPI-AWEZNQCLSA-N 341.371 0.510 70 50 ECIA CCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCNC2=O)cc1 218319441 NPZBVJNTDNGNAT-UHFFFAOYSA-N 340.405 0.203 70 50 ECIA COc1ccccc1OCCN1C[C@@H](C(=O)Nc2nnc[nH]2)CC1=O 218444436 URELCKSBDHLBDM-NSHDSACASA-N 345.359 0.679 70 50 ECIA O=S(=O)(F)c1csc(S(=O)(=O)N2CC[C@H]3[C@H](O)C[C@H]32)c1 2325893143 HIHDOFWDQVWNGT-IWSPIJDZSA-N 341.407 0.550 70 50 ECIA COC(=O)CNC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O 218348575 IGWHIMNQLLHYRP-UHFFFAOYSA-N 349.318 0.347 70 50 ECIA Cc1cc(NC(=O)CN2CCN(C3CCOCC3)C[C@@H](O)C2)no1 217576607 JXKVCJVHBMUCOT-AWEZNQCLSA-N 338.408 0.079 70 50 ECIA CCn1nc(CNC(=O)Cc2cc(=O)[nH][nH]c2=O)c2ccccc21 218524801 KQDZPOGBGYBYFD-UHFFFAOYSA-N 327.344 0.292 70 50 ECIA COc1ccccc1-c1noc(CCC(=O)NCc2n[nH]c(=O)[nH]2)n1 217976364 XYDRMXFKWGTQOG-UHFFFAOYSA-N 344.331 0.406 70 50 ECIA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)n1 218678259 RPCBFNPOCQCKMP-GFCCVEGCSA-N 331.376 0.201 70 50 ECIA CSCc1noc(CN2CCCn3nc([C@H](O)CO)cc3C2)n1 217879477 LCLGYZFRPOMNTJ-GFCCVEGCSA-N 339.421 0.561 70 50 ECIA CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 218364198 RUYGMFMCCOHBSY-TZMCWYRMSA-N 348.399 0.944 70 50 ECIA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1c[nH]nc1-n1cnnn1 217991767 GRAGUWLQBDNEPR-SECBINFHSA-N 330.377 0.958 70 50 ECIA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCCn2nc(CO)cc2C1 217508955 ACUDOYPNWWCHEW-UHFFFAOYSA-N 329.360 0.382 70 50 ECIA Cn1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(=O)[nH]c1=O 218294886 QAQHGCCFSSTZRA-GHYVTOPFSA-N 333.388 0.397 70 50 ECIA O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1cccnc1 218204116 AQEHJELVCQEPBN-UHFFFAOYSA-N 345.355 0.885 70 50 ECIA CCOCCn1nc(C)cc1C(=O)N1CCCn2nc(CO)cc2C1 217884450 GOAWHXNSKUWDJG-UHFFFAOYSA-N 347.419 0.963 70 50 ECIA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3cc(CO)ccn3)C2)n1C 218510441 YBJDSNHIEMWQBM-JOCQHMNTSA-N 344.419 0.440 70 50 ECIA Nc1nc(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)cs1 218036937 UAFUCWGBTWMNGR-LBPRGKRZSA-N 329.389 0.660 70 50 ECIA CN(C[C@@H]1Cc2ccccc2O1)C(=O)COc1ccc2nncn2n1 218070224 VQTIRMRRVWPRAY-ZDUSSCGKSA-N 339.355 0.965 70 50 ECIA Cc1cc(=O)n(CC(=O)N2CCn3nc([C@@H](C)O)cc3C2)nc1C 217750777 DGZXJHFLMGJASJ-GFCCVEGCSA-N 331.376 0.152 70 50 ECIA COCC(=O)Nc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1OC 218511643 JJGXIBIJQOTZCE-UHFFFAOYSA-N 333.344 0.965 70 50 ECIA CCc1nccn1CCC(=O)N1CCn2nc([C@@H](O)CO)cc2C1 217697956 YVGDOCQBBOLOFP-AWEZNQCLSA-N 333.392 0.100 70 50 ECIA Cn1c(=O)[nH]cc(CC(=O)NCc2nncn2C2CCCCC2)c1=O 218620415 JZKLVXOSQVAQOW-UHFFFAOYSA-N 346.391 0.029 70 50 ECIA C[C@@]1(C(N)=O)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385539 VQXPWGWKIHNCTG-LBPRGKRZSA-N 331.325 0.155 70 50 ECIA COc1cc(N[C@@H]2CCOC[C@H]2OCCN(C)C)nc(OC)n1 218267731 BIEUSLMDSGUDBI-VXGBXAGGSA-N 326.397 0.641 70 50 ECIA C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 217853688 DITXXQNZPZUEBS-JSGCOSHPSA-N 333.388 0.427 70 50 ECIA biogenic Cc1ncn(CCNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)c1C 217335925 BJOGUAGINZRSKA-CQSZACIVSA-N 342.465 0.125 70 50 ECIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1noc(C(F)(F)F)n1 216961494 ZQPFZEYPJQVPPE-SSDOTTSWSA-N 339.295 0.696 70 50 ECIA O=C(Cn1ncc2ccccc21)N1CCN(c2ncc[nH]c2=O)CC1 217118715 ZCUAFBDRHPQNND-UHFFFAOYSA-N 338.371 0.468 70 50 ECIA COC(=O)C[C@@H](c1ccncc1)c1c(O)c(C(=O)OC)c[nH]c1=O 218073418 ZELJUTCPBWXEAW-JTQLQIEISA-N 332.312 0.957 70 50 ECIA biogenic O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccn2nnnc2c1 218727945 ACPKYQZZAHGRFK-QEJZJMRPSA-N 338.371 0.631 70 50 ECIA COCCCCN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218240458 WYUOWGQEUVWUQM-UHFFFAOYSA-N 334.468 0.812 70 50 ECIA CCO[C@H]1CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C[C@@H]1O 218662847 QEUTYSNQJNFKDJ-IRXDYDNUSA-N 333.432 0.660 70 50 ECIA O=C(CN1CCCC1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218004773 RJPKXFFRGAJNMX-HUUCEWRRSA-N 333.388 0.494 70 50 ECIA O=C(Cn1cc2ccccc2n1)N1CCn2nc([C@H](O)CO)cc2C1 217949621 KYLSTXRJVNRXHG-MRXNPFEDSA-N 341.371 0.301 70 50 ECIA C[C@]1(CNC(=O)c2cncc(OS(=O)(=O)F)c2)COCCO1 1875385559 VZTKBWKWRKSEKV-LBPRGKRZSA-N 334.325 0.210 70 50 ECIA Cc1nc(C)n(CCCNC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 218296096 JKYIKZTVZYHVPT-OAHLLOKOSA-N 340.391 0.677 70 50 ECIA COC(=O)N1CCCC[C@H]1C(=O)NCCSc1nnnn1C 218564027 QIBOAMRFSDMOFD-VIFPVBQESA-N 328.398 0.039 70 50 ECIA C[C@@H](NC(=O)c1c[nH]nc1-n1cnnn1)c1nncn1C1CCCC1 218254916 FLTALFIDHWFVDG-SECBINFHSA-N 342.367 0.583 70 50 ECIA C[C@@H](O)[C@H](N)C(=O)N1CCc2[nH]c(-c3cccc(CO)c3)nc2C1 218226955 FOXHZHASZJVKFA-BMIGLBTASA-N 330.388 0.162 70 50 ECIA CC(C)C1=NO[C@H](C(=O)N2CCN(c3ccnc4nncn34)CC2)C1 217439141 AFKKEIBNXDHCPG-ZDUSSCGKSA-N 343.391 0.574 70 50 ECIA Cn1cccc1C(=O)C(=O)NC[C@H](c1cccnc1)N1CCOCC1 217419346 FXJHKBXFIINYKA-MRXNPFEDSA-N 342.399 0.793 70 50 ECIA CN(C)C(=O)c1ccc(CN2CCn3nc([C@H](O)CO)cc3C2)o1 217008002 JVVCXTXWZSVACZ-CQSZACIVSA-N 334.376 0.219 70 50 ECIA O=S(=O)(F)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 1875368329 JHNCCESWBAPZQE-LLVKDONJSA-N 332.401 0.636 70 50 ECIA CCc1c(C)nn(CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1C 218391355 RRGRYGUJKIKPTK-AWEZNQCLSA-N 342.465 0.603 70 50 ECIA COCCn1cnnc1CN(C)c1cc(C2CC(N)C2)nc(C)n1 218760525 ZNEDLMHFLRRBSK-UHFFFAOYSA-N 331.424 0.864 70 50 ECIA Cn1c(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)nc2ccccc21 217792786 ZAMSDXYOWGWXKO-NSHDSACASA-N 329.360 0.220 70 50 ECIA CC(C)c1n[nH]c2c1CN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 218128115 KOZRWBATCVBJBS-UHFFFAOYSA-N 327.352 0.430 70 50 ECIA Cc1noc(C)c1S(=O)(=O)N1CCCn2nc(CO)cc2C1 217782980 ZTLAEIQHUPXHES-UHFFFAOYSA-N 326.378 0.575 70 50 ECIA CC1(C)C(=O)NCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384872 JOCBEPWZBIUIBK-UHFFFAOYSA-N 331.325 0.025 70 50 ECIA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cc1cc(=O)[nH][nH]c1=O 217044036 OLVODVAZPQZIEN-UHFFFAOYSA-N 330.319 0.885 70 50 ECIA Nc1ccnc(N2CCN(Cc3cncn3C3CC3)C[C@@H](O)C2)n1 216952947 YGUWFGPPFXSJLM-CQSZACIVSA-N 329.408 0.273 70 50 ECIA Cn1cc([C@H](NC(=O)c2nc3cccnc3[nH]2)[C@H]2C[C@@H](O)C2)cn1 218067967 AYKGJWQCCHLZDN-IRUJWGPZSA-N 326.360 0.933 70 50 ECIA O=C(NCc1cccc(F)c1)N1CCn2nc([C@H](O)CO)cc2C1 217154362 NSKWATBNUSCQCV-OAHLLOKOSA-N 334.351 0.773 70 50 ECIA O=C(Cn1nc2ccccc2n1)N1CCN(C(=O)c2ccc[nH]2)CC1 218613664 TWXHUJVFINJLFH-UHFFFAOYSA-N 338.371 0.744 70 50 ECIA O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nncs1 218250086 YWSYVUVHXZUGTD-VIFPVBQESA-N 335.345 0.970 70 50 ECIA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)NCC2CCCCC2)[C@H]2CCO[C@H]21 218545291 ZXQYDDBVOVLETP-XJFOESAGSA-N 345.465 0.571 70 50 ECIA Cn1nnnc1SCCNC(=O)CN1CC[C@@H](c2ccccc2)C1 218385662 KOSHWNFWNDWMJP-CQSZACIVSA-N 346.460 0.908 70 50 ECIA C[C@@]1(C#N)CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384662 ICEOKOFISSXROS-GFCCVEGCSA-N 329.309 0.429 70 50 ECIA O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCCCNC1=O 952879377 PEDWVEMFWSIMSV-GFCCVEGCSA-N 328.365 0.672 70 50 ECIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2nnnn2c1 218196981 UCONIOZYPSMMDS-BPLDGKMQSA-N 338.371 0.631 70 50 ECIA Cc1cccc(N2CCN(CC(=O)N[C@H](C)c3n[nH]c(=O)[nH]3)CC2)c1 217415551 VUNOHNJXEYBTGU-CYBMUJFWSA-N 344.419 0.406 70 50 ECIA COc1ccc2nnc(CCC(=O)N[C@H](CO)CCSC)n2n1 218388647 LDAWAMYKPSQCDP-JTQLQIEISA-N 339.421 0.296 70 50 ECIA O=C1CN(C(=O)CN2CCC[C@H](O)C2)CCN1CCc1ccccc1 218543784 VAIPRAUJXWKZAH-KRWDZBQOSA-N 345.443 0.357 70 50 ECIA Cc1n[nH]cc1CN(C)C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 218301936 VMLLCGFDQNEGIT-CYBMUJFWSA-N 328.438 0.186 70 50 ECIA COCCn1ccnc1CN1CCCn2nc([C@@H](O)CO)cc2C1 217601980 RQUITACDYWVMBE-HNNXBMFYSA-N 335.408 0.158 70 50 ECIA COc1ccc2cc([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)c(=O)[nH]c2c1 218401738 PRTBZVAVWSECBG-NSHDSACASA-N 342.355 0.869 70 50 ECIA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](c2nnc[nH]2)C1 217360766 ALOYUUSNJUDOBV-GFCCVEGCSA-N 338.371 0.921 70 50 ECIA O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)F)CC1 1875368455 RXCUPENZTPEUQC-GFCCVEGCSA-N 330.337 0.185 70 50 ECIA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1n[nH]c2ccccc12 218617734 BDQAKXLNIIVPBH-SJORKVTESA-N 346.431 0.957 70 50 ECIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CCn2nncc2C1 1875387580 OMAVWQVVQPDEII-QMMMGPOBSA-N 341.324 0.467 70 50 ECIA CCCN1C(=O)N[C@H](CC(=O)NCCc2nncn2C(C)C)C1=O 218520993 RQBUTYLFDXJJFG-LLVKDONJSA-N 336.396 0.238 70 50 ECIA CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)n1C 218444520 DZHJFRSHCIEXIJ-JOCQHMNTSA-N 344.419 0.101 70 50 ECIA Cc1nn(C)cc1[C@@H](C)NC(=O)c1sccc1S(N)(=O)=O 217694084 IZPRBRNWZQFIBA-SSDOTTSWSA-N 328.419 0.928 70 50 ECIA NC[C@@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O 160169384 UPKAUQHPOUBXOX-NSHDSACASA-N 328.210 0.951 70 50 ECIA CCS(=O)(=O)CCNC(=O)c1cnn(C2CCOCC2)c1C 161315542 GBYMAUHUGHLLCU-UHFFFAOYSA-N 329.422 0.708 70 50 ECIA O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 95676438 ZZSBUDUHESWZJB-UHFFFAOYSA-N 325.795 0.635 70 50 ECIA CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1nnc2ccc(OC)nn12 218171965 OWUFECWKOXGDPX-VXGBXAGGSA-N 335.408 0.979 70 50 ECIA CC1(C)NC(=O)N(CC(=O)NCCn2cnc3ccccc32)C1=O 218310683 WVZGBAZVCMELOH-UHFFFAOYSA-N 329.360 0.483 70 50 ECIA O=C(Cn1cnc2ccccc2c1=O)NCc1cnc2cnccn12 217587050 NHEAVERJJIBLBA-UHFFFAOYSA-N 334.339 0.756 70 50 ECIA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1cccnc1)C2 216824541 PSPBOVBUMQOIOR-CABCVRRESA-N 344.415 0.162 70 50 ECIA CCCn1ccnc1CN1CCC(N2CCN(CCO)CC2)CC1 217507970 BLGJEAXPCYLICJ-UHFFFAOYSA-N 335.496 0.867 70 50 ECIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCn2nnnc2C1 1875384639 HVHSSCICWGBYLL-MRVPVSSYSA-N 341.324 0.467 70 50 ECIA COc1ccc([C@@H](NC(=O)CN2CCOCC2)C2CC(O)C2)cn1 218053076 SVFKSGDICXSSDF-MQBCKMQZSA-N 335.404 0.351 70 50 ECIA Cn1cc([C@H](NC(=O)Cn2nc3ccccc3n2)[C@H]2C[C@@H](O)C2)cn1 218660658 NYMGOHOYUCJBLR-CJBNDPTMSA-N 340.387 0.793 70 50 ECIA CCn1nc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)c2ccccc21 218625501 YNTQQCDTTYXQKA-UHFFFAOYSA-N 327.344 0.373 70 50 ECIA COCc1nc(N2CC(N3CCOCC3)C2)cc([C@H]2C[C@H](N)C2)n1 218199241 FKJDCNJRPOFXQN-BETUJISGSA-N 333.436 0.349 70 50 ECIA Cc1cc(-c2nnc3sc([C@@H]4CCS(=O)(=O)C4)nn23)n(C)n1 218178613 GLJXHIXSSGGXJT-MRVPVSSYSA-N 338.418 0.797 70 50 ECIA Cc1ccnc(SCC(=O)NCCSc2nnnn2C)n1 218490244 LJOPLHFDIZSOSY-UHFFFAOYSA-N 325.423 0.309 70 50 ECIA CC(C)Cc1cc(C(=O)NCCc2nc(O)cc(O)n2)nc(N)n1 217105327 JKQWYQJVRSQAAL-UHFFFAOYSA-N 332.364 0.431 70 50 ECIA O[C@H]1CN(Cc2ccc3c(c2)OCO3)CCN(c2cnccn2)C1 217216404 WYCDZILBOQBRBS-AWEZNQCLSA-N 328.372 0.888 70 50 ECIA Cc1nc(N)ncc1C(=O)N1CCC(CO)(CN2CCCC2)CC1 218501804 ZESKVPJLGATJJW-UHFFFAOYSA-N 333.436 0.678 70 50 ECIA Nc1nnnn1CC(=O)N1CCC[C@H](COc2ccccc2F)C1 217824414 ZHOZGHMXYXOBLM-NSHDSACASA-N 334.355 0.712 70 50 ECIA CCc1nccn1CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 217995459 AHUXZIRCVQJLDZ-UHFFFAOYSA-N 327.344 0.405 70 50 ECIA COC(=O)[C@@H]1CCc2cc(OS(=O)(=O)C(F)(F)F)cc(=O)n21 306145236 UAKUKEWEPLTYNL-QMMMGPOBSA-N 341.263 0.737 70 50 ECIA CN1C[C@@]2(CCN(C(=O)CN3CCOc4ccccc4C3)C2)OC1=O 217486600 SCWCITODANNGTL-GOSISDBHSA-N 345.399 0.934 70 50 ECIA O=c1[nH]c2cc3c(cc2cc1CN1CCN(CCO)CC1)OCO3 218488900 ITXIWSKLNANNOF-UHFFFAOYSA-N 331.372 0.367 70 50 ECIA Cn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1[C@H]1C[C@@H](N)C1 218276441 UDDPREAEOCLSDV-CTYIDZIISA-N 342.447 0.898 70 50 ECIA O=C1CO[C@]2(CCN(S(=O)(=O)F)C2)CN1Cc1ccccc1 1875368367 LWOQAIBFHUEERU-CQSZACIVSA-N 328.365 0.704 70 50 ECIA O=C(COC[C@@H]1CCCCO1)NCc1nnnn1-c1ccccc1 217356409 MERHSFVNUHCYJF-AWEZNQCLSA-N 331.376 0.864 70 50 ECIA COC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc23)[C@@H]2CCO[C@@H]21 218577541 SKJZBNOMZBMXIS-XFMPKHEZSA-N 329.356 0.703 70 50 ECIA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1c[nH]nc1-n1cnnn1 217991681 GRAGUWLQBDNEPR-VIFPVBQESA-N 330.377 0.958 70 50 ECIA Cc1cc2[nH]cc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)c(=O)n2n1 217893446 GPWRRCUVNZGCQL-JTQLQIEISA-N 342.359 0.237 70 50 ECIA Cc1cc2n(n1)CCN2C(=O)c1cncc(OS(=O)(=O)F)c1 1875384800 ITAVZJXYTBPVTN-UHFFFAOYSA-N 326.309 0.840 70 50 ECIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)[nH]1 218252805 HLXRBDVKUQVABU-OLZOCXBDSA-N 336.348 0.412 70 50 ECIA CNS(=O)(=O)c1ccc(CCC(=O)NCc2nccn2C)cc1 217826453 RTBNJBQWKVYXQA-UHFFFAOYSA-N 336.417 0.577 70 50 ECIA OCc1cc2n(n1)CCN(c1ncc(F)c(N3CCOCC3)n1)C2 216930419 FUTPUELNCASNHH-UHFFFAOYSA-N 334.355 0.161 70 50 ECIA CC[C@@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C1CC(O)C1 218321200 CWBUWILUTVKYQP-RTYFJBAXSA-N 340.401 0.959 70 50 ECIA Cc1cc(C)nc(NCC(=O)NCCc2nnc3ccccn23)n1 218434955 QUMGINNZOYCHKQ-UHFFFAOYSA-N 325.376 0.907 70 50 ECIA COc1ccc(F)cc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 216918378 PNNWXGDZCIRQCA-CQSZACIVSA-N 335.335 0.713 70 50 ECIA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nnc(C)o2)o1 217401268 JNMIBMYHTLFFSQ-ZDUSSCGKSA-N 347.375 0.286 70 50 ECIA CN1C(=O)CN(CC(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1=O 1875385560 WBOYXTJAGOOFQT-UHFFFAOYSA-N 345.308 0.112 70 50 ECIA O=C(c1scc2c1OCCO2)N1CCN(c2ncc[nH]c2=O)CC1 217162715 GMHFTSMHPAOAHB-UHFFFAOYSA-N 348.384 0.565 70 50 ECIA CC(C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 218364283 RUYGMFMCCOHBSY-GXTWGEPZSA-N 348.399 0.944 70 50 ECIA O=C(CN1CC(=O)NC1=O)NCc1ccccc1Cn1cccn1 217592446 CNHVZTWNAJWYEJ-UHFFFAOYSA-N 327.344 0.099 70 50 ECIA COc1ncc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)nc1OC 217179542 CZMPDHTYLTVRSZ-JTQLQIEISA-N 347.375 0.790 70 50 ECIA Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N(C)Cc1ncc[nH]1 217368348 IKVYSMSKPGBPOQ-UHFFFAOYSA-N 340.380 0.794 70 50 ECIA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(C3CC3)c2C1 218671319 IGEDQQMWMSRTEX-ZDUSSCGKSA-N 338.433 0.596 70 50 ECIA CC(=O)NS(=O)(=O)c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1 218218412 AQOLBLHCDSJAKZ-UHFFFAOYSA-N 337.357 0.196 70 50 ECIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(Cc1cccnc1N)C2 218453324 IYCTXXPXGLBESY-MRXNPFEDSA-N 339.403 0.691 70 50 ECIA Cn1c(=O)[nH]cc(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1=O 217562615 OWNXBWYBAVBENR-UHFFFAOYSA-N 347.762 0.462 70 50 ECIA O=C(c1cncc(N2CCCn3nc(CO)cc3C2)n1)N1CCCC1 217056091 FTMCERSMXVHQLM-UHFFFAOYSA-N 342.403 0.812 70 50 ECIA Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)nc(C)n1 217023126 HDRSHXGNLVOQNS-UHFFFAOYSA-N 331.420 0.520 70 50 ECIA CCO[C@H]1CN(C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C[C@@H]1O 218283526 JWQWOWXEGFGAOI-HOTGVXAUSA-N 340.445 0.450 70 50 ECIA Cc1cc(=O)[nH]c(NCCNc2cc(C3CC(N)C3)nc(N)n2)n1 218435708 ZENNWHUQOUIMPL-UHFFFAOYSA-N 330.396 0.179 70 50 ECIA COCc1n[nH]c(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1 217867059 PNGFUVZQWBPHPX-JTQLQIEISA-N 344.331 0.030 70 50 ECIA biogenic Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)[nH]n1 159685780 AOEBCIAECWBXQY-LSDHHAIUSA-N 344.419 0.582 70 50 ECIA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCn1ccc(=O)[nH]c1=O 218295971 HWGPWXXLQJRWAZ-JTQLQIEISA-N 334.401 0.885 70 50 ECIA CC[C@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C1CC(O)C1 218321289 CWBUWILUTVKYQP-CBINBANVSA-N 340.401 0.959 70 50 ECIA Cn1c(=O)oc2ccc(C(=O)N3CCn4nc(CO)cc4C3)cc21 217113691 GSZRSLOKOVDVFX-UHFFFAOYSA-N 328.328 0.476 70 50 ECIA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CC2)n1 218297603 CQNDSPXSVZPDBR-LLVKDONJSA-N 340.343 0.761 70 50 ECIA CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cccc2nn(C)nc12 218763767 DFJJZSVOCWGTMY-MWLCHTKSSA-N 326.378 0.051 70 50 ECIA Cc1cn(CC(=O)N[C@H](C)c2nncn2C2CCCC2)c(=O)[nH]c1=O 218285613 IXGUOVCRBIXFNE-LLVKDONJSA-N 346.391 0.429 70 50 ECIA CC(=O)N1CC(Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)=CC1=O 218512488 YVDNKGOPZDFXMD-MRXNPFEDSA-N 328.328 0.426 70 50 ECIA C#CCN(C(=O)c1cncc(OS(=O)(=O)F)c1)[C@@H]1CCOC1 1875385380 RZORMYRFJXGDCP-LLVKDONJSA-N 328.321 0.539 70 50 ECIA CN(C)[C@@H]1[C@@H](NC(=O)c2nc(N)nc3c2CCCC3)[C@H]2CCO[C@H]21 218167037 HSWHGBCNAHCGSE-DZGBDDFRSA-N 331.420 0.385 70 50 ECIA COCc1nc(N2CC(N3CCOCC3)C2)cc([C@H]2C[C@@H](N)C2)n1 218759118 FKJDCNJRPOFXQN-JOCQHMNTSA-N 333.436 0.349 70 50 ECIA CCCn1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c(C)n1 216953379 QFUCRTYJAZIIEE-HNNXBMFYSA-N 333.392 0.480 70 50 ECIA O=C(COC[C@@H]1CCCCO1)N1CCN(c2ncc[nH]c2=O)CC1 217030504 JHSXTCSJSUTOHB-ZDUSSCGKSA-N 336.392 0.004 70 50 ECIA Cc1nc([C@@H](C)NC(=O)COc2ccc(-n3cnnn3)cc2)n[nH]1 217206860 QBYVJRYKIDOKHZ-SECBINFHSA-N 328.336 0.345 70 50 ECIA Cn1cc(C(=O)NCCCc2nc3ccccc3o2)c(=O)[nH]c1=O 218707621 SJWRCZCBUIELPI-UHFFFAOYSA-N 328.328 0.577 70 50 ECIA C[C@]1(C#N)CN(C(=O)c2cncc(OS(=O)(=O)F)c2)CCO1 1875384663 ICEOKOFISSXROS-LBPRGKRZSA-N 329.309 0.429 70 50 ECIA COc1ccc(F)c(F)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(C)=O 218110968 JPEGSQRQIAQXEH-FPILIMHBSA-N 340.326 0.995 70 50 ECIA CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cnccn2)cc1 217580251 GTRBKFOMXOVNBK-UHFFFAOYSA-N 348.428 0.976 70 50 ECIA CN(CC(=O)N1CCCn2nc(CO)cc2C1)Cc1cccnc1 217496974 DLDYCMBAWHALNX-UHFFFAOYSA-N 329.404 0.635 70 50 ECIA CCSc1nc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cs1 217670653 LXHLUPADSNSPQZ-RKDXNWHRSA-N 336.460 0.072 70 50 ECIA O=C(CN1CCOc2ccccc2C1)N1CCn2nc(CO)cc2C1 216993848 BOUAUNHWJHXNDD-UHFFFAOYSA-N 342.399 0.612 70 50 ECIA CN(C[C@H]1Cc2ccccc2O1)C(=O)COc1ccc2nncn2n1 218070305 VQTIRMRRVWPRAY-CYBMUJFWSA-N 339.355 0.965 70 50 ECIA CC(C)c1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n[nH]1 160516590 RSQFXQMKFFQHSJ-GHMZBOCLSA-N 328.438 0.981 70 50 ECIA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 217779523 DIEHDRABPPOBRS-GFCCVEGCSA-N 333.396 0.085 70 50 ECIA Cc1nc(C)c(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)c(=O)[nH]1 218220156 GHHVYMNPLNREEQ-UHFFFAOYSA-N 339.359 0.426 70 50 ECIA CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COCCO2)cc1 217435027 JOWHKCDUJZXBHR-ZDUSSCGKSA-N 342.417 0.520 70 50 ECIA CCNC(=O)N1CCC(NC(=O)CN(C)Cc2cccnc2)CC1 218186405 MLAOBGVXQSJMJX-UHFFFAOYSA-N 333.436 0.824 70 50 ECIA O=C(C1CCN(C(=O)C(F)(F)C2(O)CCC2)CC1)N1CCOCC1 161444113 HGXSQVXLZLFANZ-UHFFFAOYSA-N 346.374 0.634 70 50 ECIA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccn2nnnc2c1 218728014 ACPKYQZZAHGRFK-BPLDGKMQSA-N 338.371 0.631 70 50 ECIA CO[C@@H]1COCC[C@H]1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385674 YSYFGISISAPALG-GHMZBOCLSA-N 334.325 0.208 70 50 ECIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2n(C)c1=O 218413293 CNASCLSCWIIBFD-NSHDSACASA-N 326.356 0.871 70 50 ECIA Cn1ncc2c1c(=O)ccn2Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 218628521 FRLPJFMVGIEVBM-PHIMTYICSA-N 339.403 0.914 70 50 ECIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)n(C)c(=O)n2C 218272958 YMUCMGZHBYSCEM-SNVBAGLBSA-N 329.360 0.209 70 50 ECIA CCc1noc(CN(CC)C(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 218707275 GQMNSCIEQGTKCO-JTQLQIEISA-N 330.410 0.405 70 50 ECIA CC(C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)F)cc1 952877988 XJFKQJZQSDEXIX-UHFFFAOYSA-N 332.353 0.196 70 50 ECIA CC(C)c1nnsc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 216935971 WDNVBXXUKDHUJQ-NSHDSACASA-N 337.405 0.540 70 50 ECIA Cc1ncn(CC(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)c1C 218648534 STENKYLGYXDFGS-OKILXGFUSA-N 345.451 0.752 70 50 ECIA O=C1CN(CC(=O)N[C@@H](CCn2cncn2)c2ccccc2)C(=O)N1 217209528 NIIBTPKJIFEYOC-ZDUSSCGKSA-N 342.359 0.078 70 50 ECIA COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1snnc1C 218628316 DIXRUEPZIMZWRW-UHFFFAOYSA-N 342.402 0.433 70 50 ECIA CC(C)S(=O)(=O)CC(=O)N1CCCn2nc([C@H](C)O)cc2C1 217734722 RQJSIQCENAQRDJ-NSHDSACASA-N 329.422 0.492 70 50 ECIA COCCc1noc(CN(C)C(=O)[C@H]2CCCCN2C(=O)OC)n1 218722732 XTMKYGQMMQVNNA-LLVKDONJSA-N 340.380 0.838 70 50 ECIA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCn1cncn1)C2 216898521 VLJZXCGCGMHQMB-KGLIPLIRSA-N 335.408 0.154 70 50 ECIA CCCn1nc(C)c(CNC(=O)CCn2ccc(=O)[nH]c2=O)c1C 218289466 YMQNQQRVZBAOTL-UHFFFAOYSA-N 333.392 0.466 70 50 ECIA COc1cncc([C@H](NC(=O)CCCn2cnnn2)[C@H]2C[C@H](O)C2)c1 218426918 MKQQIXOARMJOHP-PVXIVEMSSA-N 346.391 0.485 70 50 ECIA CC(C)c1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n[nH]1 160516466 RSQFXQMKFFQHSJ-WDEREUQCSA-N 328.438 0.981 70 50 ECIA 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