smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)c1ccc(CNc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 226242138 YAWJLWGXCCZLHK-UHFFFAOYSA-N 327.428 4.670 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 409158992 YTLSZWJPDCOOGQ-GUXCAODWSA-N 337.394 4.747 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4320915 QNQQHSHKNJNFBW-NJSLBKSFSA-N 340.354 4.569 10 40 EJCB Cc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C 226241707 AIKDGHZPCFKSLI-UHFFFAOYSA-N 339.439 4.814 10 40 EJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1Cl 112113487 BLGZOZHXNDGQNH-BOPFTXTBSA-N 343.789 4.588 10 40 EJCB CCOc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 13547554 XFGYDMHIYPXDBU-VBKFSLOCSA-N 347.505 4.619 10 40 EJCB Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1O 49562 QSKYRBNUPZRQQU-UHFFFAOYSA-N 328.371 4.822 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 6630650 SFADYRZNMJTATJ-UWVAXJGDSA-N 337.394 4.829 10 40 EJCB O=C1c2ccccc2C(=O)C1c1nc2c(ccc3ccccc32)s1 100529891 MXGCKKXVYULANY-UHFFFAOYSA-N 329.380 4.612 10 40 EJCB Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 223326568 VAIJXCHZGOGBHV-GOSISDBHSA-N 336.479 4.785 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21 4852964 YOIYDNCFRCFMAZ-FJXLLPKBSA-N 340.423 4.804 10 40 EJCB Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1ccc(F)cc1 5225942 VZFKLFVXQUZLBJ-UHFFFAOYSA-N 340.423 4.603 10 40 EJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(F)c1 12375768 PGPMICQRIXRZPV-MAHQCVNESA-N 341.432 4.788 10 40 EJCB O=C(O)c1cc2ccccc2c(/N=N/c2ccc([N+](=O)[O-])cc2)c1O 5003708 UQQZCYFJJGHXPK-VHEBQXMUSA-N 337.291 4.567 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc2ccccc2c1 102570109 YFWRWHAOKHVAFF-XSFVSMFZSA-N 327.387 4.558 10 40 EJCB CC1=C(C)C[C@@H]2C(=O)c3c(c(O)c4ccccc4c3Cl)C(=O)[C@H]2C1 104234416 LCUHMZGUYAPOCX-KBPBESRZSA-N 340.806 4.940 10 40 EJCB CN(C)c1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4125407 KMIHZJCZKLZSCN-GOSISDBHSA-N 349.459 4.910 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4959505 AFDNYIMLBRXEMD-FCEWJHQRSA-N 336.391 4.738 10 40 EJCB Cc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 7165916 BXBLFWNAWKINKI-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB COc1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1 16216345 DONMXDBKOHBJHO-UHFFFAOYSA-N 328.371 4.649 10 40 EJCB COc1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408722573 LADCTNQJVCGDRQ-LGMDPLHJSA-N 328.367 4.830 10 40 EJCB Cc1nn(C(=S)S)c(C)c1/N=N/c1ccccc1C(F)(F)F 17130580 IVSLIPUWJOKTBT-ISLYRVAYSA-N 344.387 4.997 10 40 EJCB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 227148090 SBNBCDMQEMIQTC-PKNBQFBNSA-N 338.794 4.834 10 40 EJCB CCOc1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3C=CC[C@@H]32)cc1 226861419 HCSVYSUDPCLWRJ-UWVAXJGDSA-N 349.430 4.698 10 40 EJCB COc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 408723231 RMWVVRVPECFBGX-UNOMPAQXSA-N 328.367 4.830 10 40 EJCB CC[C@H](c1ccc(O)c(CN(C)C)c1)[C@@H](CC)c1ccc(O)cc1 1614161 RTHRKIUDPBOMNO-VQTJNVASSA-N 327.468 4.847 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21 4852962 YOIYDNCFRCFMAZ-QBWPOKONSA-N 340.423 4.804 10 40 EJCB Cc1ccc(C)n1-c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5931064 BQEVKSZUTALHCR-UHFFFAOYSA-N 348.490 4.793 10 40 EJCB CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1 44085400 DQOPRKKSBAIKRO-UHFFFAOYSA-N 349.253 4.676 10 40 EJCB CN(C)Cc1cc(/N=N\c2ccc(Cl)cc2)cc(CN(C)C)c1O 104312754 SDPLEMKWNZHRLJ-MRCUWXFGSA-N 346.862 4.584 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1C 408963210 XXLMPUXFEDULQR-HKWRFOASSA-N 341.414 4.592 10 40 EJCB O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccco1 408974363 FHWBKDKTFIUATO-UHFFFAOYSA-N 339.354 4.782 10 40 EJCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 32121163 QANXFPQTUXYGOT-VBQJREDUSA-N 325.795 4.865 10 40 EJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 55107116 SGTXRDJMVLMCBA-UYRXBGFRSA-N 342.398 4.660 10 40 EJCB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1C 94880 IOVBKPFMHLSSRV-UHFFFAOYSA-N 325.433 4.840 10 40 EJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 10113474 MGTBCBATPYEUEV-UHFFFAOYSA-N 349.261 4.524 10 40 EJCB CN(C)CC/C=C1\c2ccccc2Sc2cc(O)c(Cl)cc21 33984119 VDUXLJKZYYNCHS-KPKJPENVSA-N 331.868 4.894 10 40 EJCB CSc1cccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)c1 409333588 UPANUZYIIHLMRJ-NTEUORMPSA-N 347.486 4.716 10 40 EJCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccccc1 33377618 UHCKGILVZUWENE-NTEUORMPSA-N 349.839 4.885 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 6963557 YNAVHNDWYXPCMH-ZWOKBUDYSA-N 336.391 4.738 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1C 27533621 ZOOKFWNTZOPYMC-LVVPDBGKSA-N 341.457 4.858 10 40 EJCB Cc1ccc(Nc2ccc(C)c3c2C(=O)c2ccccc2C3=O)cc1 5002813 NESZLGBGONKALK-UHFFFAOYSA-N 327.383 4.822 10 40 EJCB Cc1ccc(S(=O)(=O)/N=N/[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 28294100 FUVWZWSNKKDFFV-QAQWQDCFSA-N 346.496 4.741 10 40 EJCB O=C1[C@@H](/N=N/c2ccc(Cl)cc2)Sc2nc3ccccc3n21 104240672 WJMJBJYYGBQKEH-HVCBDAARSA-N 328.784 4.546 10 40 EJCB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3)o2)cc1Cl 227157601 GWWXFTDXWSKFJO-UHFFFAOYSA-N 326.783 4.743 10 40 EJCB CCCCOC(=O)c1ccc(/N=N/c2ccc(O)c(C=O)c2)cc1 70462709 NSBTXJUYQPMABK-FMQUCBEESA-N 326.352 4.577 10 40 EJCB CC(C)[C@H](CCNCc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 2217280 HYNATLFUYZERMY-FPOVZHCZSA-N 346.559 4.710 10 40 EJCB CCCCN1C(=O)/C(=C/C=C/C=C/Nc2ccccc2)SC1=S 4797769 SCCZIMZZRQKUKC-BHMUNWMQSA-N 344.505 4.713 10 40 EJCB Brc1cccc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 7099938 LHLUFZXZKIQPGU-NDGTYSDOSA-N 327.225 4.671 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1Cl 5342551 HUYVFEDYLMRPEB-WJDWOHSUSA-N 339.826 4.675 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(C)c2O)N3)C1 8198745 SOPWVMWKNSTHJM-APPDUMDISA-N 342.464 4.706 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1OC 14479168 XILBZWZFUKNGEQ-JLHGSKIFSA-N 349.430 4.733 10 40 EJCB Cc1cccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c1O 4814047 JLGFDZOLDBGVMJ-KRWDZBQOSA-N 336.416 4.858 10 40 EJCB CCOc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 274472 SJUMKHSTZANKEF-PTNGSMBKSA-N 326.779 4.720 10 40 EJCB Oc1c([C@@H](Nc2ccccn2)c2cccc(F)c2)ccc2cccnc12 5932294 SVVYTUGDBBGVBU-IBGZPJMESA-N 345.377 4.676 10 40 EJCB Oc1ccc(Br)cc1CNc1cccc(Cl)c1F 44836224 FWRWFWLHSIZJFT-UHFFFAOYSA-N 330.584 4.559 10 40 EJCB CCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 94824 LEPFTBIJROKNIP-UHFFFAOYSA-N 337.394 4.863 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 5371796 AUKYIVNPHBLDJM-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB CCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)SC1=S 409338780 AVPBBNYLIABVRB-YBEGLDIGSA-N 344.505 4.833 10 40 EJCB CN(Cc1c(O)ccc2ccncc12)Cc1csc2ccccc12 83867704 BZDQWUZZIZHMCG-UHFFFAOYSA-N 334.444 4.787 10 40 EJCB Oc1c([C@@H](Nc2ccccc2)c2ccccn2)ccc2cccnc12 125998 ZFGVIHXNMJUQJB-HXUWFJFHSA-N 327.387 4.537 10 40 EJCB Cc1c(Cl)cccc1Nc1nc(-c2ccc(O)c(O)c2)cs1 460312 XGYKXAYQBILVNY-UHFFFAOYSA-N 332.812 4.927 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6952847 HBFGOLHTXVWRGF-SUNYJGFJSA-N 340.354 4.569 10 40 EJCB COc1cc(/N=N\c2ccc(O)c3ncccc23)c2ncccc2c1 104043313 HBQZEQAVPMSYRO-FCQUAONHSA-N 330.347 4.913 10 40 EJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 1232243 SXKLQIXSAPAAII-GDNBJRDFSA-N 345.876 4.741 10 40 EJCB COC(=O)c1sc(SCc2ccccc2)c(C(F)(F)F)c1O 521750 LMZHMVOEMFTLIM-UHFFFAOYSA-N 348.367 4.551 10 40 EJCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 96006217 QANXFPQTUXYGOT-CPUCHLNUSA-N 325.795 4.865 10 40 EJCB CSc1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 409343331 GRDCORUMTXKDQO-UKTHLTGXSA-N 349.527 4.876 10 40 EJCB Cc1ccccc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O 12032401 WYAMODNADVRLLW-XNTDXEJSSA-N 328.824 4.731 10 40 EJCB Cc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 34772885 YCMZVGYWYRJQCK-UHFFFAOYSA-N 341.838 4.819 10 40 EJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(C)cc1 100105446 GRKKHVHLWFKZBU-QGOAFFKASA-N 337.398 4.633 10 40 EJCB COc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4320916 JLGXPLMOEUEIGL-VEVIJQCQSA-N 340.354 4.569 10 40 EJCB CCOc1ccc(-n2c(C)cc(C(=S)N3CCCCC3)c2C)cc1 409192749 AIZMHKHNEOXKDK-UHFFFAOYSA-N 342.508 4.654 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2O)N3)C1 6358115 XCNHIYMDKUQUKY-DIFFPNOSSA-N 342.464 4.706 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2 12411138 LKBRYPXSJXQDIM-WFXMLNOXSA-N 349.430 4.698 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 5551841 YIGGKKJFSUMBOR-GXDHUFHOSA-N 331.487 4.716 10 40 EJCB Cc1ccccc1/N=N\c1c(C)nn(C(N)=S)c1-c1ccccc1 16928658 RFAHKQOFUPLWKW-MRCUWXFGSA-N 335.436 4.674 10 40 EJCB N=c1[nH]c(-c2ccccc2)c(/N=N\c2cccc([N+](=O)[O-])c2)s1 104108826 NXNQRDNGFJLCOG-HNENSFHCSA-N 325.353 4.546 10 40 EJCB O=C1S/C(=C\c2ccc(F)cc2)C(=S)N1Cc1ccccc1 2711521 ACNKWDGWMCOJNC-GDNBJRDFSA-N 329.421 4.863 10 40 EJCB N=C(N)c1ccc(/N=N/c2c(O)ccc3c2[nH]c2ccccc23)cc1 3954602 NKCSZKQZGVWLRM-WCWDXBQESA-N 329.363 4.726 10 40 EJCB in-vitro CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4809957 WBBTXVLXSCOTRE-ZWOKBUDYSA-N 336.391 4.820 10 40 EJCB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccc1O 19902619 FKAHSBXKXQRRCW-OAQYLSRUSA-N 329.403 4.778 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 5375815 DIJLMMDDURYRSU-LHDCHRESSA-N 327.430 4.550 10 40 EJCB CC[C@H](NCc1c(Cl)ccc2cccnc12)c1ccccc1O 95985121 PLMOJEGERADDMS-KRWDZBQOSA-N 326.827 4.835 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409164948 QAUVFZNXNWQWJO-TYILLQQXSA-N 335.403 4.528 10 40 EJCB CC(=O)c1c(C)nc2c(c1-c1ccc(F)cc1)C(=O)c1ccccc1-2 523471 HKQABKGJOBCSRM-UHFFFAOYSA-N 331.346 4.610 10 40 EJCB CCOc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S 1242491 FHQSITBMACUAPI-UVTDQMKNSA-N 347.486 4.553 10 40 EJCB Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4092948 TZVSAMKZQPJQBY-PGMHBOJBSA-N 338.410 4.830 10 40 EJCB Cc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)s1 5176004 DWKGBRVARJZRTL-JYRVWZFOSA-N 334.853 4.792 10 40 EJCB Cc1ccccc1NCc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 8997548 FTWJMEABNVFFMX-UHFFFAOYSA-N 349.430 4.606 10 40 EJCB CCN(Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12)C1CCCCC1 19597078 SFXTXCBBHJKYNV-UHFFFAOYSA-N 349.858 4.615 10 40 EJCB COc1ccc(/N=N/c2c(-c3ccc(Cl)cc3)n[nH]c2N)cc1 6239718 HNYRBZOXGGPZNK-XUTLUUPISA-N 327.775 4.736 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 226860578 YNAVHNDWYXPCMH-UWVAXJGDSA-N 336.391 4.738 10 40 EJCB Brc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 409335839 ZABTUDYBBNEFEL-REWJHTLYSA-N 328.253 4.602 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)SC2=S)cc1 7165964 CYGQNOMSWPAPAV-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2)cc1 409370541 SREYOJBXULUBRC-UHFFFAOYSA-N 349.430 4.560 10 40 EJCB O=C(O)[C@@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@@H]2C=CC[C@H]12 58850889 UPUUYDWASYKVBR-ISAJLKESSA-N 349.474 4.693 10 40 EJCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72216759 HSYDPAVJTCFSCH-KRWDZBQOSA-N 341.455 4.561 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5371816 ZWIPKLWYSAKQHP-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB O=c1cc(-c2ccccc2)oc2ccc(O)c(CN3CCCCCC3)c12 1321164 YQEMOWZJULPUQR-UHFFFAOYSA-N 349.430 4.542 10 40 EJCB CC(C)CCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 15379104 PKSBIHPOFRAMAL-WJDWOHSUSA-N 349.521 4.721 10 40 EJCB Cc1cccc(Cl)c1NCc1cc(Br)ccc1O 44836241 UQDTZVQQTYBXLB-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB Cc1ccc(N2C(=O)S[C@H](Nc3cccc4ccccc34)C2=O)cc1 3900827 GINLKSVDZWSTOE-SFHVURJKSA-N 348.427 4.786 10 40 EJCB Oc1cc2c(cc1O)[C@@H](c1c3ccccc3cc3ccccc13)NCC2 4724960 OHZABFMFUVICJD-QHCPKHFHSA-N 341.410 4.639 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(C)c(C)c1 5337649 FHDQNOXVIYTHPS-WOJGMQOQSA-N 339.826 4.675 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc2ccccc2c1 13125070 ZRCODUVJYPCUIW-XJUMHSELSA-N 328.375 4.715 10 40 EJCB Cc1cccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)c1 408733611 MFDNRXKRTIBWFN-UHFFFAOYSA-N 326.395 4.555 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S 1189324 ZSAIEANMWVDUGX-HKLRHMNMSA-N 331.487 4.711 10 40 EJCB CCN1CCN(c2ccc(/C=C/c3ccnc4ccccc34)cc2)CC1 1599755 NQMWVBRQOSJCBU-JXMROGBWSA-N 343.474 4.547 10 40 EJCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(C(F)(F)F)cc1 2152273 CBAIOIIUCWVZHB-UHFFFAOYSA-N 335.247 4.858 10 40 EJCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccccc2)cc1 4815978 NZLBBCMZNSDSSI-CYVLTUHYSA-N 348.471 4.810 10 40 EJCB O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 18081380 JGHSIHWEEQODNJ-FMQUCBEESA-N 337.404 4.903 10 40 EJCB Cc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)s1 4123995 HFGMIGJDJWLJDQ-LJQANCHMSA-N 347.443 4.907 10 40 EJCB O[C@@H](c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 12860308 BGPRLLDYSIDLNQ-JSMIYBGHSA-N 346.386 4.955 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl 13395678 XAGWBIQIOPTHSE-UVTDQMKNSA-N 346.217 4.712 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(C)cccc1C 15134098 QZXHFBUQPPOGQA-UNOMPAQXSA-N 333.435 4.639 10 40 EJCB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1O 76275347 CTYNZQFAKXZASJ-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409167142 HBFGOLHTXVWRGF-HBUWYVDXSA-N 340.354 4.569 10 40 EJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112111773 WMFVKMOPSJDMRG-RGEXLXHISA-N 337.398 4.715 10 40 EJCB Brc1cccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 409155052 LHLUFZXZKIQPGU-BNLOLNQZSA-N 327.225 4.671 10 40 EJCB COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 266685 FZBMDVNZKSEYOE-UHFFFAOYSA-N 329.403 4.646 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4959542 ILAAWHTXDIGTIR-HLIPFELVSA-N 336.391 4.820 10 40 EJCB Cc1ccc(C)n1-c1ccc(OC(=O)c2cccc(Cl)c2)cc1 5337687 HYLQZAGVRAQPRE-UHFFFAOYSA-N 325.795 4.967 10 40 EJCB CCc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O 6901868 YMJMMCURAJXZIH-UHFFFAOYSA-N 341.410 4.636 10 40 EJCB CCc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 6944776 ZUAPDWHXHORBBK-SLYNCCJLSA-N 333.431 4.862 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)cc1 35038720 YZKPLEPDKQIQDT-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccsc1 102907257 DMZGLMPCGZCRAS-FXAWDEMLSA-N 348.427 4.696 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Br)cc1 88863 CBFDWMNLQPPCNJ-UKTHLTGXSA-N 345.167 4.570 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)c1 408764843 TURVOKYXYDFMGE-LTGZKZEYSA-N 338.410 4.830 10 40 EJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(F)cc1 3024692 YLPRCWUZSROOFV-NTEUORMPSA-N 349.839 4.885 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1c(O)ccc2ccccc12 409052343 JQCZHNOMHANGEQ-RVDMUPIBSA-N 332.330 4.666 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140529 QWJMABCFVYELBB-TXPKVOOTSA-N 335.403 4.610 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@H]32)cc1 4151350 XXPNVELGKOEDDE-OPYAIIAOSA-N 333.431 4.917 10 40 EJCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1ccccc1 408755335 UDWLQNDPFIUIJI-HMMYKYKNSA-N 342.373 4.660 10 40 EJCB Cc1ccc(S(=O)(=O)/N=N/[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 28294098 FUVWZWSNKKDFFV-HBGJGKTJSA-N 346.496 4.741 10 40 EJCB COc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC(F)F 70453954 SFXZFEHFKZMHRI-UHFFFAOYSA-N 342.345 4.986 10 40 EJCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(F)cc2)OC1=O 409052330 RWOCSHYBNZYZHT-FOWTUZBSSA-N 346.357 4.969 10 40 EJCB O=[N+]([O-])c1cc(CNc2ccc3ccccc3c2)ccc1N1CCCC1 226241451 QVYQXIZOECWZPP-UHFFFAOYSA-N 347.418 4.960 10 40 EJCB O=C1NC(=S)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)S1 2422777 MKQQGLKYMSNYAN-GHXNOFRVSA-N 344.442 4.681 10 40 EJCB CCc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1 5373135 MIDJRZMBDUDRNU-CVCOPPNTSA-N 334.444 4.888 10 40 EJCB Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72216760 HSYDPAVJTCFSCH-QGZVFWFLSA-N 341.455 4.561 10 40 EJCB Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 21729018 SAIJXTFWXQHENM-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc2ccccc2c1 1238017 RBYJCVFUQMOWFE-ATVHPVEESA-N 348.452 4.641 10 40 EJCB CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(N(C)C)cc1 2091713 DIRDKZCTXYKEHM-HXUWFJFHSA-N 342.483 4.524 10 40 EJCB biogenic CC(C)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9188403 NXLRWGHZNZUFCQ-ATVHPVEESA-N 339.485 4.963 10 40 EJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccccc3)cc2)C1 260467494 ZNCVVISNKXVYCO-AIEADPQKSA-N 348.490 4.814 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 409170397 VCSPPGIVPDDFJD-XJKCOSOUSA-N 345.215 4.810 10 40 EJCB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1 225002262 QQXHHUMBUVLNQX-UHFFFAOYSA-N 342.870 4.569 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 302482 ILAAWHTXDIGTIR-FUHIMQAGSA-N 336.391 4.820 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 95471525 IGXNSJMFOXRONL-NDENLUEZSA-N 333.435 4.639 10 40 EJCB O=c1ccc2cc(/N=N\c3ccc(Br)cc3)ccc2o1 102118202 NBCALFBSXDQDOI-ZCXUNETKSA-N 329.153 4.971 10 40 EJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408755802 NCLIAQRLSWROMZ-QGOAFFKASA-N 348.789 4.768 10 40 EJCB FC(F)(F)c1ccc(N2CC=C(c3c[nH]c4ccccc34)CC2)nc1 24527531 KLWIYZGCZMHNEX-UHFFFAOYSA-N 343.352 4.875 10 40 EJCB Cc1ccc(N2C(=O)S[C@@H](Nc3cccc4ccccc34)C2=O)cc1 3900826 GINLKSVDZWSTOE-GOSISDBHSA-N 348.427 4.786 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(C)C)cc1 58854648 YKIBWWOASFOFMP-DEDYPNTBSA-N 334.419 4.528 10 40 EJCB CCn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 409125370 MCMMJWKKVCOORH-SXGWCWSVSA-N 344.505 4.518 10 40 EJCB COc1cccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)c1 408723155 QVVSPTHWZPGMMT-ODLFYWEKSA-N 328.367 4.830 10 40 EJCB COc1cc(C)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C(C)C 4525899 LOZUNRCXGSZLAY-MOSHPQCFSA-N 348.446 4.933 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 6935712 RMUOVZKHXFFEFZ-NJSLBKSFSA-N 336.391 4.820 10 40 EJCB Cc1c(/N=N/c2cccc(F)c2)c(-c2ccccc2)nn1C(N)=S 104222668 WUPFGFANPZOQEG-QZQOTICOSA-N 339.399 4.505 10 40 EJCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 104183702 KIMWWSKAIJIRMR-MKRKQWJYSA-N 349.390 4.708 10 40 EJCB O=C1/C(=C(/Nc2ccccc2)c2ccccc2)C=NN1c1ccccc1 104274878 DNNQINLTCAWLFZ-QZQOTICOSA-N 339.398 4.542 10 40 EJCB C[C@H](NC(=O)c1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 108507486 RLQDKZIRNZXARX-CVEARBPZSA-N 340.442 4.553 10 40 EJCB CCCN1C(=O)/C(=C\c2cn(CCC)c3ccccc23)SC1=S 409343542 HZDBHKWSUTXTTM-LFIBNONCSA-N 344.505 4.663 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 9188458 DFVGPWRLONFYLN-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)c2ccccc21 409118291 OTJNDFFRBCBSRU-PGMHBOJBSA-N 346.474 4.892 10 40 EJCB CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccc(N(C)C)cc1 2243843 HEDSOQLOIPLIMR-UHFFFAOYSA-N 345.510 4.880 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 6963570 RVKNABBAKKJNAF-AUSJPIAWSA-N 336.391 4.738 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 7100052 VCSPPGIVPDDFJD-HEHGZKQESA-N 345.215 4.810 10 40 EJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1C1CCCCC1 16448978 ADUYOQDOWXEFGX-UVTDQMKNSA-N 337.897 4.874 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1OC)[C@H]1CC=C[C@@H]21 409168174 LFISYRGARLJQOX-XFQAVAEZSA-N 349.430 4.617 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 6344678 VNUSINHARRHBKC-DCGLDWPTSA-N 325.795 4.865 10 40 EJCB CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13673799 RNYIPNGWZSCYPF-UHFFFAOYSA-N 336.479 4.514 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 4151427 CXJRSYDLJFHJRW-FCEWJHQRSA-N 336.391 4.738 10 40 EJCB CC(C)(C)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 5371910 JKPZGEHHOFYUFX-WDZFZDKYSA-N 346.304 4.993 10 40 EJCB Brc1cccc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 409155054 LHLUFZXZKIQPGU-PPHDSNJXSA-N 327.225 4.671 10 40 EJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1cccc2cccnc12 13739404 JZBONCSTLOFRIJ-LGMDPLHJSA-N 344.443 4.754 10 40 EJCB Cc1ccccc1/N=N/c1ccc(NC(=O)CCC(=O)O)c(C)c1 4506719 QMVRFDSBBIFVNN-QZQOTICOSA-N 325.368 4.522 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1OC)[C@@H]1CC=C[C@@H]21 409168175 LFISYRGARLJQOX-ZOCZFRKYSA-N 349.430 4.617 10 40 EJCB Cc1cc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 225645262 BTDLYJRQDYUXED-UHFFFAOYSA-N 336.479 4.532 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 6950548 RXZXHUGADNBZAD-PJIJBLCYSA-N 339.822 4.953 10 40 EJCB O=C(Nc1cccc(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 40146374 LAPQLKGNSYCDFL-UHFFFAOYSA-N 334.341 4.558 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(C)cccc1C 100041160 QZXHFBUQPPOGQA-XDHOZWIPSA-N 333.435 4.639 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 5371105 KYPCPBCOMFUHNK-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB CC(C)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 225747467 AUGYJZUCKQSHCS-UHFFFAOYSA-N 341.524 4.623 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4647856 IVWNHJKZDBXOMY-WQGACYEGSA-N 342.782 4.780 10 40 EJCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccccc2)OC1=O 33586137 SJQFELTVNXCUDT-GHRIWEEISA-N 328.367 4.830 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 4852969 YOIYDNCFRCFMAZ-AMVTXUCVSA-N 340.423 4.804 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 4151346 SGLREXUOWRQEEN-PJIJBLCYSA-N 336.391 4.738 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 6966424 DKWMVGCDGBTVIS-BBTUJRGHSA-N 333.431 4.917 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 409150557 CFFOBJXGBOUXOS-QINHECLXSA-N 337.394 4.747 10 40 EJCB CCOC(=O)c1sc2nc(C)cc(/C=C\c3ccccc3)c2c1N 5250291 QPTCKAXYNNOEEB-KTKRTIGZSA-N 338.432 4.534 10 40 EJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccccc1 13476561 SKPGUYASUQCPIY-ZROIWOOFSA-N 331.202 4.800 10 40 EJCB O=C(O)c1cc(/N=N/c2ccc(-c3ccc(O)cc3)cc2)ccc1O 4683277 AUJMZPGZDYABQC-QZQOTICOSA-N 334.331 4.878 10 40 EJCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1Cc1ccccc1 72216812 CJNJDRIFWPDXMK-OAQYLSRUSA-N 331.463 4.826 10 40 EJCB Nc1ccc(/N=N\c2cccc(/N=N\c3ccc(N)cc3N)c2)c(N)c1 101107829 BDFZFGDTHFGWRQ-YPAXQUSRSA-N 346.398 4.846 10 40 EJCB O=C1[C@H](/N=N/c2ccc(Cl)cc2)Sc2nc3ccccc3n21 104240664 WJMJBJYYGBQKEH-NIVDNSEKSA-N 328.784 4.546 10 40 EJCB C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217884416 ZNCVVISNKXVYCO-MFJAVSIHSA-N 348.490 4.814 10 40 EJCB Cc1ccc(CN2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 409051719 DUCWPWPIIDAWGZ-HYLYESJESA-N 341.457 4.546 10 40 EJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C)cc2C)cc1 37737 MFUIPNJGMQDCBB-UHFFFAOYSA-N 349.430 4.787 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4313633 FYRNGNXEXDIYMC-ZJNRKIDTSA-N 340.354 4.569 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 6630653 SFADYRZNMJTATJ-HLIPFELVSA-N 337.394 4.829 10 40 EJCB Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 21729022 SAIJXTFWXQHENM-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1C 6131682 GGOKQXIFBTUHMN-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB O=C1Nc2ccccc2/C1=C\c1c(N2CCCCC2)[nH]c2ccccc12 96193910 BGTROITZIZTULY-NBVRZTHBSA-N 343.430 4.651 10 40 EJCB CCOC(=O)/C(=C/c1ccccc1OCc1ccccc1C)N=[N+]=[N-] 102922600 UVUBJPJWNHKVDJ-ATVHPVEESA-N 337.379 4.788 10 40 EJCB Oc1ccc(Br)cc1CNc1cc(Cl)ccc1F 44836298 YCQFOSMZKZHCRC-UHFFFAOYSA-N 330.584 4.559 10 40 EJCB Cc1ccc(C)c(C2=C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c1 409051365 COTINWDCPVEKNI-CXUHLZMHSA-N 335.359 4.501 10 40 EJCB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(C)c2)c2ccccc21 409115516 RXWISVBSEAZOBS-CYVLTUHYSA-N 332.447 4.502 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 15228892 JUYCHQWVDSKDAZ-MDOVXXIYSA-N 337.394 4.829 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 409166562 FJUWJLUUFQYWSX-LPMFXHHGSA-N 337.394 4.829 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@@H]21 13389490 OUPOBTJOBQFJHU-MBOZVWFJSA-N 349.430 4.698 10 40 EJCB CCCC1(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 59370519 RYLOPYFDJILIEK-UHFFFAOYSA-N 343.220 4.566 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 94443 QWJMABCFVYELBB-JTDSTZFVSA-N 335.403 4.610 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 100147653 DSAWPPZRBMIZID-JLHYYAGUSA-N 331.202 4.800 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409164946 QAUVFZNXNWQWJO-LPMFXHHGSA-N 335.403 4.528 10 40 EJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 409369446 BUQUPJLTQMEVTO-JTDSTZFVSA-N 338.838 4.526 10 40 EJCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc2ccccc12 5741283 IRLMTOCVEJCPLP-SFQUDFHCSA-N 348.452 4.641 10 40 EJCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1cccc([N+](=O)[O-])c1 408722342 HKZSYGJFCCLIJV-WJDWOHSUSA-N 343.338 4.729 10 40 EJCB CCCC[C@H](CC)CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 5862617 INGAQCMJEHLLOQ-XDUBLRSXSA-N 349.521 4.810 10 40 EJCB Cc1cc(F)ccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O 7000595 QLOQOCORJFJGPQ-UHFFFAOYSA-N 345.373 4.521 10 40 EJCB Cc1ccccc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 226241532 CNSNTBPWCXKEHJ-UHFFFAOYSA-N 325.412 4.506 10 40 EJCB CN(C)c1ccc(C(c2ccc(O)cc2)c2ccc(N(C)C)cc2)cc1 4365605 ZTXGOUSDKAXJJB-UHFFFAOYSA-N 346.474 4.704 10 40 EJCB in-vitro N=c1[nH]c(-c2cccc([N+](=O)[O-])c2)c(/N=N/c2ccccc2)s1 16956127 XWKOMXGVKDJSQM-VHEBQXMUSA-N 325.353 4.546 10 40 EJCB COc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1 59401507 NSWLVSFKQHOTIQ-UWVAXJGDSA-N 335.403 4.528 10 40 EJCB CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959567 BKTOQYXUAMNDDY-WFXMLNOXSA-N 349.430 4.698 10 40 EJCB CN(C)c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 520794 BKPVLNCGGPPWNO-OAQYLSRUSA-N 340.430 4.742 10 40 EJCB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 225823941 WKHCWNLEWCJQOH-SDNWHVSQSA-N 342.870 4.516 10 40 EJCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 4648589 CWQLLVZBAFJREH-INQVIGDZSA-N 344.480 4.512 10 40 EJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 49047918 BJFQJSHIKCEXET-RVKKMQEKSA-N 325.795 4.865 10 40 EJCB biogenic Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 493056 ZBFRFAIYXJZKEC-LTGZKZEYSA-N 338.410 4.830 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1 35040367 AUKYIVNPHBLDJM-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccccc2)SC1=S 97963957 XIOFNCINAQTOCE-WIOAZZGGSA-N 340.473 4.561 10 40 EJCB CN(C)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1 218005994 OPEUITBXQRUOBP-UHFFFAOYSA-N 339.664 4.781 10 40 EJCB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccccc2Cl)cc1 48522 WXLIBMGFKIUXDI-UHFFFAOYSA-N 325.795 4.967 10 40 EJCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)c1 5754865 NWEXIKOBEZSMMD-GDNBJRDFSA-N 328.824 4.731 10 40 EJCB Cc1ccc2ccc([C@H](Nc3ccccc3)c3ccncc3)c(O)c2n1 1736224 JATGGCBZDKNYEM-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB Cc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1C 4678813 WPVNQLSZAVUWHH-UHFFFAOYSA-N 341.842 4.675 10 40 EJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 8092259 IBFKCSHNQZVCFC-LBTNJELSSA-N 339.822 4.953 10 40 EJCB Cc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)s1 113835107 GAQHJIWSMDIWIF-NTEUORMPSA-N 331.487 4.771 10 40 EJCB Cc1cc(C(=S)N2CCCCC2)c(C)n1-c1ccc(Cl)cc1 409206079 VAIVANCQNVEUIV-UHFFFAOYSA-N 332.900 4.909 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2 14550176 LKBRYPXSJXQDIM-OPYAIIAOSA-N 349.430 4.698 10 40 EJCB Cc1cc(O)c(CN2C[C@H](c3ccccc3)O[C@H](C)C2)cc1C(C)C 107342341 FTXIGJPRYUEMAT-VGOFRKELSA-N 339.479 4.786 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 13389240 XXHWDSGFRVUSIG-GPMSIDNRSA-N 337.394 4.829 10 40 EJCB CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2666899 VEOHNQGJYMXYEA-RAXLEYEMSA-N 325.886 4.731 10 40 EJCB C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 8775636 UATSXSLMISVTNC-SFHVURJKSA-N 346.474 4.527 10 40 EJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4ccccc43)c2C)cc1 13098677 WWONKYQKEOCDCL-MOSHPQCFSA-N 328.415 4.895 10 40 EJCB O=c1oc2ccccc2c(-c2ccc(O)cc2)c1C1=CC=CCC1=S 71405002 SGNLYUQBOACHEO-UHFFFAOYSA-N 346.407 4.879 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1Cl 100041076 JANWWUWABUSGKW-UVTDQMKNSA-N 346.217 4.712 10 40 EJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 409369444 BUQUPJLTQMEVTO-GPMSIDNRSA-N 338.838 4.526 10 40 EJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1ccccc1 1247909 KWALEVGWBKCURV-GDNBJRDFSA-N 345.876 4.741 10 40 EJCB CN(C)c1ccc(CNCC[C@@H](c2ccccc2)c2ccco2)cc1 2103102 JKNUJTKKBYFXNU-NRFANRHFSA-N 334.463 4.657 10 40 EJCB biogenic O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 49089980 JGVZQZYRGOFCJB-RVKKMQEKSA-N 325.795 4.865 10 40 EJCB CN(C)c1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4125406 KMIHZJCZKLZSCN-SFHVURJKSA-N 349.459 4.910 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 6242761 QSJONXNFEYCFGL-UWVAXJGDSA-N 335.403 4.610 10 40 EJCB CCCCC(O)(CCCC)C(=O)/N=N/c1c(O)n(C)c2ccccc12 103561312 FPFYEFXFYXHHBD-QZQOTICOSA-N 345.443 4.606 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 4199897 CXJRSYDLJFHJRW-GJYPPUQNSA-N 336.391 4.738 10 40 EJCB Cc1cccc(N2C(=O)S[C@@H](Nc3cccc4ccccc34)C2=O)c1 4748384 USOJZOXJTMSULC-GOSISDBHSA-N 348.427 4.786 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 6574126 YSLPLGPNBFLLRB-LFIBNONCSA-N 343.448 4.794 10 40 EJCB CCOc1c(/N=N\c2ccccc2Cl)c(C)nn1C(=S)S 104241124 KWYADUJMMAIASA-NXVVXOECSA-N 340.861 4.722 10 40 EJCB O=C1/C(=C\c2ccc(Cl)s2)SC(=S)N1c1ccccc1 209981996 OWFHZIDXDDUSKQ-DHZHZOJOSA-N 337.878 4.807 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 13389358 AFDNYIMLBRXEMD-TXPKVOOTSA-N 336.391 4.738 10 40 EJCB O[C@H](c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 12860319 BGPRLLDYSIDLNQ-FBNDGMMSSA-N 346.386 4.955 10 40 EJCB Cc1cc(C)cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 226241858 JWDQVININRUUQX-UHFFFAOYSA-N 339.439 4.814 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1C 27533626 JOCXAQHNGVXOLR-FWPHUCDGSA-N 341.457 4.858 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S[C@H]2C)cc1 32597884 WPMZTKXSMVQXJV-CCNLRRDASA-N 338.476 4.528 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccccc2)SC1=S 97963958 XIOFNCINAQTOCE-OPCAMPFDSA-N 340.473 4.561 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 170620775 OQMZDIRZHMKGTG-RKVPGOIHSA-N 339.822 4.953 10 40 EJCB Cc1cc(C)cc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 3642539 CECMXMZLDCHADD-UHFFFAOYSA-N 345.402 4.723 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1C 5375821 JOCXAQHNGVXOLR-JLJGJNDSSA-N 341.457 4.858 10 40 EJCB Cc1ccc(/C=C2\SC(Nc3cccc4ccccc34)=NC2=O)o1 35646963 HSCPJAVCSZBFDL-BOPFTXTBSA-N 334.400 4.824 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccn1-c1ccccc1F 4663607 UWDNAAQCMOEOGX-QINSGFPZSA-N 349.336 4.737 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4959540 ILAAWHTXDIGTIR-UWVAXJGDSA-N 336.391 4.820 10 40 EJCB CN(C)c1ccc(C(=C2C=CC(=N)C=C2)c2ccc(N(C)C)cc2)cc1 5422997 XYSSGYHHAUSTHC-UHFFFAOYSA-N 343.474 4.766 10 40 EJCB in-vitro CC(C)Oc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 408736161 IXJGLQUXIOQOLU-LQWHRVPQSA-N 349.430 4.999 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409163555 TZUALSPNLVAWEW-JTDSTZFVSA-N 337.394 4.829 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc1 4140492 XNBLUTHRXBHSOM-UWVAXJGDSA-N 349.430 4.617 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2O)N3)C1 6358121 XCNHIYMDKUQUKY-PIGZYNQJSA-N 342.464 4.706 10 40 EJCB O=C(O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1 19854680 HSMLASYALJZKSQ-UHFFFAOYSA-N 329.359 4.525 10 40 EJCB Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccsc1 102907258 DMZGLMPCGZCRAS-YLJYHZDGSA-N 348.427 4.696 10 40 EJCB Cc1ccc(N(Cc2ccc(N)cc2)C(=O)c2ccccc2C)cc1 4959638 QKEYUYUWHVMKCW-UHFFFAOYSA-N 330.431 4.733 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2 14545984 GJOPEMGIPNNATG-VWKPWSFCSA-N 349.430 4.698 10 40 EJCB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1-c1ccccn1 15453870 VHYAEYVXERGGHY-UHFFFAOYSA-N 347.443 4.985 10 40 EJCB O=C1c2ccc3ccccc3c2C(=O)[C@H]1c1nc2ccccc2s1 100564225 WZWXOOYLAWFKRL-KRWDZBQOSA-N 329.380 4.612 10 40 EJCB CCC(=O)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1 559615 LFEPDENNHYJFMQ-UHFFFAOYSA-N 337.423 4.690 10 40 EJCB CCN(CC)c1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 59425959 PKECQQSVTBBLCE-JXAWBTAJSA-N 349.430 4.523 10 40 EJCB COc1ccc(Nc2c(-c3ccc(C)o3)nc3cc(C)ccn23)cc1 3909840 YWNPTTOBQMJMMD-UHFFFAOYSA-N 333.391 4.963 10 40 EJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(Cl)c1 1043736 CXZDTEWIEREGIZ-WQLSENKSSA-N 337.878 4.807 10 40 EJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 1220266 FOLBCJTVJVPHDQ-GXDHUFHOSA-N 337.897 4.874 10 40 EJCB Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccncc3)c(O)c2n1 8617651 JATGGCBZDKNYEM-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@@H]21 13402406 ZSNZIOLOVSOIRF-GPMSIDNRSA-N 336.391 4.738 10 40 EJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)cc1C 6780868 WLTRZDZFNGELGT-UHFFFAOYSA-N 346.430 4.532 10 40 EJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCCCC1 103917773 ASVZTDNTIOIVEK-SILNSSARSA-N 339.483 4.776 10 40 EJCB CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 576105 WIHTXXWWIDOYJF-UHFFFAOYSA-N 335.403 4.560 10 40 EJCB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 227148024 VPJBDPFTOCGNGT-ZRDIBKRKSA-N 338.794 4.834 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccccc4)C(=O)O3)ccc2c1 408721836 ADCQIPDJLOLZFZ-ODLFYWEKSA-N 328.367 4.830 10 40 EJCB Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)O)cc2)CCCC3=O)cc1 38300 SSGWQAXKKPMMED-UHFFFAOYSA-N 345.398 4.670 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 5201195 OWUAUZZSAFVACY-XNTDXEJSSA-N 329.421 4.540 10 40 EJCB Cc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1C 4713892 RNUNLCPCWPFHSY-RQZCQDPDSA-N 335.359 4.501 10 40 EJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Cl)cc1 1288431 RXQICXGQBKMHEG-WQLSENKSSA-N 337.878 4.807 10 40 EJCB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6251967 KIMWWSKAIJIRMR-KYIBQMDOSA-N 349.390 4.708 10 40 EJCB Oc1c([C@@H](c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12 38304 HOKPJBCDXUEGDO-HXUWFJFHSA-N 336.410 4.655 10 40 EJCB CC(C)N1c2ccc(/C=C3/SC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 223550254 JVUAGQVIBKMEQO-RGZVIEDOSA-N 344.480 4.511 10 40 EJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1 13712096 ORDSUMSSWXRNKO-ZROIWOOFSA-N 349.839 4.885 10 40 EJCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc2ccccc12 5741284 LZNIEZYWWCUDOS-GZTJUZNOSA-N 348.452 4.641 10 40 EJCB Cc1ccc(-n2c(C)cc(C(=S)N3CCCCC3)c2C)cc1C 6966746 HWRNITIJSDEOCW-UHFFFAOYSA-N 326.509 4.872 10 40 EJCB Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 226241668 PQLIJFRALIHTPN-UHFFFAOYSA-N 325.412 4.506 10 40 EJCB CC1=NC(=O)[C@H](/N=N/c2cccc3ccccc23)N1c1ccccc1 8425761 JFSMOWBFBCORIR-VCGVYRDQSA-N 328.375 4.715 10 40 EJCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(Cl)c1 15011430 IVUXSKSZLUOREP-RIYZIHGNSA-N 349.839 4.885 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1 16957086 OIOVQSHPKRBUIM-RKVPGOIHSA-N 339.822 4.953 10 40 EJCB O=C(OCc1ccccn1)c1ccccc1/N=N/c1ccc(O)cc1 102398173 OEGKUNJZZBUGTA-QURGRASLSA-N 333.347 4.560 10 40 EJCB Cc1ccccc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 408740642 CTGYBHLRFITBNS-XNTDXEJSSA-N 341.204 4.739 10 40 EJCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1ccccc1 408767106 VTJLHYYQMDMVNT-NBVRZTHBSA-N 330.412 4.583 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21 409161454 XKNUUIJJHFODFO-XWCIJXRUSA-N 325.795 4.865 10 40 EJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 112111791 VSSHEHACIXASMA-RGEXLXHISA-N 337.398 4.551 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1C 1245154 UMCKZDPJMGCHSZ-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB Brc1cccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 4168333 IFRQHBFWQRFPTC-HEHGZKQESA-N 327.225 4.671 10 40 EJCB COc1ccc(/C=C2\C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1 1663993 DNSMRQAMNNFWCL-XDHOZWIPSA-N 332.399 4.555 10 40 EJCB O=C1N=C(Nc2ccc(F)c(Cl)c2)S/C1=C\C=C\c1ccco1 5374561 SZDGITSOLDUCPF-NQDFZQDQSA-N 348.786 4.711 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc(C)ccc1C 6425908 MOKVGMPKSKSTSR-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1Cl 2427237 UXDWZTAUJOMMRA-WQLSENKSSA-N 337.878 4.807 10 40 EJCB C[C@H](NC(=S)Nc1ccccc1)c1ccc(N2CCCCC2)cc1 225662332 ZQYGYQSSHYANGR-INIZCTEOSA-N 339.508 4.725 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1cccc(Br)c1 88858 MLRSSPMWUHOIJH-MDWZMJQESA-N 345.167 4.570 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 226741380 RXZXHUGADNBZAD-LPMFXHHGSA-N 339.822 4.953 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)c1 5371577 BAUHSTKWHQVBAD-OQLLNIDSSA-N 329.446 4.611 10 40 EJCB Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c(C)c1 6793182 VRDRCWDEPWHQBY-UHFFFAOYSA-N 341.410 4.690 10 40 EJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 12779283 XJWXOIVMILAIKZ-LJQANCHMSA-N 336.435 4.506 10 40 EJCB CCOc1c(/N=N/c2ccccc2Cl)c(C)nn1C(=S)S 17142273 KWYADUJMMAIASA-FOCLMDBBSA-N 340.861 4.722 10 40 EJCB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1ccc(N)cc1 19736814 HWIUHMFWKMYUMJ-KSSFIOAISA-N 326.440 4.578 10 40 EJCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(Cl)c1 27533664 POOUANLEQAIUJI-BOAPOFAJSA-N 347.848 4.895 10 40 EJCB O=C1[C@@H](/N=N\c2ccc(Cl)cc2)Sc2nc3ccccc3n21 104240667 WJMJBJYYGBQKEH-UNQMGURYSA-N 328.784 4.546 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 27230058 YNTRVJGLZUDZCJ-FWPHUCDGSA-N 341.457 4.804 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1 4868740 JMVIANRVVAJUON-XNTDXEJSSA-N 328.824 4.731 10 40 EJCB CCc1ccc(NC2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1 39870228 IQAWDFLLEJMSFX-WJDWOHSUSA-N 342.851 4.985 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 409158998 YTLSZWJPDCOOGQ-JXXFODFXSA-N 337.394 4.747 10 40 EJCB CC1=NN(c2cccc3ccccc23)C(=O)[C@@H]1/N=N/c1ccccc1 100529969 FHLRJYUFDZOCDL-XKXPVHLMSA-N 328.375 4.715 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 409159008 YTLSZWJPDCOOGQ-QINHECLXSA-N 337.394 4.747 10 40 EJCB CCCCCN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O 409212573 QSMNUPRIDKZMBC-VKAVYKQESA-N 346.496 4.759 10 40 EJCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccco3)S2)cc1 6569835 JQGQMSGJOCQTPM-VBKFSLOCSA-N 326.421 4.705 10 40 EJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 8092246 IBFKCSHNQZVCFC-GLJUWKHASA-N 339.822 4.953 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 108505931 VNUSINHARRHBKC-XNJGSVPQSA-N 325.795 4.865 10 40 EJCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 408940390 CFUHNBGFFTYAGH-UHFFFAOYSA-N 335.403 4.560 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 4387520 RFFJWBUVMUJNBB-RPGBBNPCSA-N 327.430 4.550 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)cc1C 35647248 MUJWNYVWNKGRQJ-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 408905214 VGNUHGKETQVWSG-LFIBNONCSA-N 330.309 4.512 10 40 EJCB CC(C)[C@@H](CCNCc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 2217278 HYNATLFUYZERMY-PZJWPPBQSA-N 346.559 4.710 10 40 EJCB Cc1cc(C)c(O)c(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)c1 4423327 MTXRJDKWNCIXGC-HNNXBMFYSA-N 335.234 4.755 10 40 EJCB Cc1ccccc1/N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1 4762981 LKTNEXPODAWWFM-FCQUAONHSA-N 333.395 4.705 10 40 EJCB Cc1ccc(/N=N/c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)cc1 28294291 HNJZWGVBRVNFNW-HTXNQAPBSA-N 340.368 4.914 10 40 EJCB Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35040391 OENCUFXWZIWUGB-XNTDXEJSSA-N 343.448 4.848 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1O 59378852 WHSGQDZCTQYERA-ZSOIEALJSA-N 347.201 4.505 10 40 EJCB Cc1csc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 10555956 BNMBYQZPWJOYFC-UHFFFAOYSA-N 345.855 4.765 10 40 EJCB CC(C)[C@H](CCNCc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 2217284 HYNATLFUYZERMY-CTNGQTDRSA-N 346.559 4.710 10 40 EJCB Cc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(C)C 107342343 FTXIGJPRYUEMAT-HTAPYJJXSA-N 339.479 4.786 10 40 EJCB Cc1ccccc1OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3272546 ONBVQWFELKQRLU-UHFFFAOYSA-N 337.394 4.803 10 40 EJCB CCCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 208651827 BJKDNEZJFKECAW-LGMDPLHJSA-N 338.432 4.558 10 40 EJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccccc1 8435887 GKVDMNFGOCIBRO-NTEUORMPSA-N 348.349 4.788 10 40 EJCB Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2cccc(C)c2)c1 408759001 WHYUMABJWSJFTE-XSFVSMFZSA-N 342.398 4.731 10 40 EJCB COc1cc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)ccc1O 19894546 NMLOQFDYFWZYTO-WJDWOHSUSA-N 344.366 4.535 10 40 EJCB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccccc2)cc1 6501987 NURSOQHNDSIALH-LTGZKZEYSA-N 338.410 4.830 10 40 EJCB Cc1ccc(C)n1-c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72216752 NFLPKUXPNHBONZ-OAQYLSRUSA-N 331.463 4.826 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 33939373 NDKJYLPVQOOOOZ-FOWTUZBSSA-N 325.458 4.655 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(Cl)c1Cl 44965558 CTHZUZMBWKDXPE-RAXLEYEMSA-N 346.217 4.712 10 40 EJCB CN(C)c1ccc(C=C(c2ccc(N)cc2)c2ccc(N)cc2)cc1 70421 PRGWQQOPNOICFP-UHFFFAOYSA-N 329.447 4.506 10 40 EJCB CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 4816021 VGSVIVKGFYELRF-LGMDPLHJSA-N 339.485 4.965 10 40 EJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C)c(C)c2)cc1 99256 LMLURRYYXKVUJI-UHFFFAOYSA-N 349.430 4.787 10 40 EJCB Cc1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 21729028 FVCMCXLGIRHVRA-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 226241769 POFSLHFZOHFCMF-UHFFFAOYSA-N 339.439 4.814 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 1103237 WJJCSXBETIQVAP-COOUDCDJSA-N 343.448 4.788 10 40 EJCB Cc1ccc(C)c(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 6901854 ICYINUXJXIOOKF-UHFFFAOYSA-N 341.410 4.690 10 40 EJCB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(N)cc1 19736816 HWIUHMFWKMYUMJ-KBXCAEBGSA-N 326.440 4.578 10 40 EJCB c1ccc(-c2csc3ncnc(Sc4nccs4)c23)cc1 58377815 QJHNGNQYMZAPDD-UHFFFAOYSA-N 327.459 4.966 10 40 EJCB Cc1cccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)c1C 408733634 NEIYQGFKGJDAMX-UHFFFAOYSA-N 340.422 4.863 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)c1 409161384 UKGJJMWANLNQQF-GUXCAODWSA-N 335.403 4.528 10 40 EJCB CN(C)Cc1cc(C(C)(C)CC(C)(C)C)cc(Br)c1O 1706346 NIZZDYSSGLVFAM-UHFFFAOYSA-N 342.321 4.930 10 40 EJCB CCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2379271 LKGHVMQEPCCGBO-WQLSENKSSA-N 346.304 4.995 10 40 EJCB O=C(O)[C@@H](Nc1c2ccccc2nc2ccccc12)c1ccccc1 4602001 DSBZINUPUMCGNI-IBGZPJMESA-N 328.371 4.626 10 40 EJCB CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2O)cc1 4523066 OGVSVUXBTJFWEA-UHFFFAOYSA-N 346.474 4.704 10 40 EJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]21 409172366 CYXBYCRGNWHWNE-BWACUDIHSA-N 328.318 4.700 10 40 EJCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72216819 FFDOJDDGNICGSF-KRWDZBQOSA-N 341.455 4.561 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 4151348 XXPNVELGKOEDDE-LQWHRVPQSA-N 333.431 4.917 10 40 EJCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)CC1 9188876 BXLZDGKDNMZMGS-ATVHPVEESA-N 328.481 4.512 10 40 EJCB COc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)C(C)C)cc1 2222977 XVLBXHWDTSNNHH-JOCHJYFZSA-N 340.511 4.681 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409161105 WMHRYKXTCDIPIS-IIDMSEBBSA-N 340.354 4.569 10 40 EJCB COc1ccc(N(Cc2cn3ccccc3n2)Cc2cccs2)cc1 71857749 SYNCYKZJDNVSCQ-UHFFFAOYSA-N 349.459 4.611 10 40 EJCB Cc1cc(/N=N\c2ccc(S(=O)(=O)O)c3ccccc23)ccc1O 104366745 YQPOGCIJDWNLDG-HNENSFHCSA-N 342.376 4.516 10 40 EJCB COc1ccc([C@H]2Nc3c(C)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4959522 XDFSRIBCWBUTOS-PTSWNOGYSA-N 336.391 4.738 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4320914 QNQQHSHKNJNFBW-KSMMKXTCSA-N 340.354 4.569 10 40 EJCB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 224159776 MAFLUJPPONRMCC-GOSISDBHSA-N 336.479 4.785 10 40 EJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cccc2ccccc12 4491567 SZEWUTPPHYLRMC-STZFKDTASA-N 326.399 4.954 10 40 EJCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1 16779541 HBTDRPYBCUIQPR-QSJINSDNSA-N 340.835 4.979 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 94363 OIOVQSHPKRBUIM-DAYGRLMNSA-N 339.822 4.953 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1C 1086573 QEJWWULVMXQOKS-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB CCCCC(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 105628595 FCCAJUFXTUMHSB-IBGZPJMESA-N 334.415 4.615 10 40 EJCB Cc1ccc(C)c(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1 94811 PXCVICRJSFRGBT-UHFFFAOYSA-N 337.394 4.917 10 40 EJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cccc2ccccc12 5800070 DFNZKCFAIJQBDP-AQTBWJFISA-N 330.412 4.922 10 40 EJCB Cc1cccc(NCc2c(O)ccc3c2oc(=O)c2ccccc23)c1 6672435 AUEMSRLCGIDGHW-UHFFFAOYSA-N 331.371 4.572 10 40 EJCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccccc3)cc2)CC1 217884136 ONFDDKQJNCCCJD-BNOPAZPUSA-N 348.490 4.814 10 40 EJCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1ccccc1[N+](=O)[O-] 408722841 NUNPKXDZBKTWIN-VBKFSLOCSA-N 343.338 4.729 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 302508 OUPOBTJOBQFJHU-SQGPQFPESA-N 349.430 4.698 10 40 EJCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1 574954 CFOUMNUIGRPBNF-LTGZKZEYSA-N 340.426 4.972 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cc(C)ccc1C 100041071 MOKVGMPKSKSTSR-GZTJUZNOSA-N 339.826 4.675 10 40 EJCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 225693594 MCKKIVDIJJNXIE-MRXNPFEDSA-N 339.508 4.643 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 16291516 XQEMZDGWQZADIH-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409164818 OGPWSLKYVJLQNH-FUHIMQAGSA-N 337.394 4.747 10 40 EJCB CCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2707113 ASHJMLRCKGFPBM-GHXNOFRVSA-N 346.304 4.995 10 40 EJCB Cc1cc(C)cc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1 94821 MQCKKVCBPAGRIR-UHFFFAOYSA-N 337.394 4.917 10 40 EJCB CN(C)c1ccc(/C=C2/C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1 13597385 DNQCQDKYXIGPBU-MOSHPQCFSA-N 345.442 4.613 10 40 EJCB CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CN(C)C)c1 1614162 RTHRKIUDPBOMNO-WOJBJXKFSA-N 327.468 4.847 10 40 EJCB CCOc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)cc1 4679845 SJUMKHSTZANKEF-RVDMUPIBSA-N 326.779 4.720 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C)cc1C 95471488 UIIIRDMHGZDTOI-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 38205336 LVDSNYRVBVSVDI-NTEUORMPSA-N 331.202 4.800 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4959518 SKNIDMSHTWWSCS-MDOVXXIYSA-N 336.391 4.738 10 40 EJCB O=C(O)c1ccc(CNc2c3ccccc3nc3ccccc23)cc1 31773374 QMXHZEJZZWEILQ-UHFFFAOYSA-N 328.371 4.698 10 40 EJCB CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2OC)cc1 254590400 SXHUBOLNSOIMCA-UHFFFAOYSA-N 328.372 4.865 10 40 EJCB CC(C)CCOc1ccc(Cl)cc1/C=C1/SC(S)=NC1=O 17071491 WIQNKRTZONJYBZ-MDWZMJQESA-N 341.885 4.665 10 40 EJCB Oc1c([C@@H](Nc2ccc(F)cc2)c2ccncc2)ccc2cccnc12 86438 DTMQMKIJNNLQNC-IBGZPJMESA-N 345.377 4.676 10 40 EJCB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 101658310 ARCDNTUUSUBBEE-ZSOIEALJSA-N 337.231 4.861 10 40 EJCB O=c1oc2cc(O)ccc2c(-c2ccccc2)c1C1=CC=CCC1=S 71405003 XOHLSYYXOXCVRB-UHFFFAOYSA-N 346.407 4.879 10 40 EJCB Nc1ccc(Oc2ccc3ncc(Oc4ccc(N)cc4)cc3c2)cc1 3077457 BIBJLTCWVQAMMT-UHFFFAOYSA-N 343.386 4.984 10 40 EJCB Cc1ccsc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 208691457 GLNKQXJDFXXLNN-JYRVWZFOSA-N 335.450 4.601 10 40 EJCB O=C1/C(=C(\Nc2ccccc2)c2ccccc2)C=NN1c1ccccc1 16952846 DNNQINLTCAWLFZ-MRCUWXFGSA-N 339.398 4.542 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2 12411136 LKBRYPXSJXQDIM-LQWHRVPQSA-N 349.430 4.698 10 40 EJCB Cc1ccc(Cc2ccc(CO)n2Cc2ccc(Cl)cc2)cc1 226029985 PZPXGUOMQFKVHY-UHFFFAOYSA-N 325.839 4.581 10 40 EJCB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 225425224 ZBCUWRDAYCPFHX-NTEUORMPSA-N 342.870 4.516 10 40 EJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c1 38183453 JJSVTVIKGFKWPY-ZDLGFXPLSA-N 347.443 4.867 10 40 EJCB Cc1cc(C)n2nc(-c3sccc3-n3c(C)ccc3C)c(C)c2n1 6216157 AMJWEPGZVVNYKS-UHFFFAOYSA-N 336.464 4.791 10 40 EJCB CC[C@@H](C)n1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 33407122 SRJCCRPYIWFMNV-YUSFRKCESA-N 344.505 4.833 10 40 EJCB CN1CCN(C2=Cc3cc(Cl)ccc3Sc3ccccc32)CC1 33824131 MZFRKLMGBOFQQI-UHFFFAOYSA-N 342.895 4.550 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 96006216 CXJRSYDLJFHJRW-MDZRGWNJSA-N 336.391 4.738 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)o1 9188682 WZGNSXDTHOFNAB-GQVHDAKQSA-N 329.446 4.550 10 40 EJCB Cc1cc2n(n1)[C@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1ccccc1-2 817711 KZASRLCVXVMOCJ-HXUWFJFHSA-N 349.434 4.540 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 6630701 FJUWJLUUFQYWSX-KSMMKXTCSA-N 337.394 4.829 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 9188685 NMZLYOLWGIPYIV-OPCAMPFDSA-N 325.458 4.649 10 40 EJCB O=C1/C(=C\c2ccncc2)SC(=S)N1c1cccc2ccccc12 9310680 KSXCTRDVCSXSSI-SFQUDFHCSA-N 348.452 4.641 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 13800855 LSGQVNFWKVJAEX-UYRXBGFRSA-N 346.361 4.892 10 40 EJCB CCOc1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c1O 58440401 UJZUOJJUMYOWHS-LLVKDONJSA-N 340.250 4.949 10 40 EJCB CCN(CC)c1ccc(CNc2cccc(C)c2C)cc1[N+](=O)[O-] 226242161 ATKXEBSRYRBTEX-UHFFFAOYSA-N 327.428 4.670 10 40 EJCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 5862490 INGAQCMJEHLLOQ-KWWJGWKXSA-N 349.521 4.810 10 40 EJCB CC(C)(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 35040524 JKPZGEHHOFYUFX-IZZDOVSWSA-N 346.304 4.993 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 13389308 QNQQHSHKNJNFBW-LPMFXHHGSA-N 340.354 4.569 10 40 EJCB CCSc1ccccc1C(=O)NCc1ccc(N(CC)CC)cc1 224763623 LLWYLMXTHSEDLW-UHFFFAOYSA-N 342.508 4.575 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 16291520 GKYPQHQMYIKMBA-DHDCSXOGSA-N 329.421 4.540 10 40 EJCB COc1ccc([C@@H]2Nc3c(C)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4959525 XDFSRIBCWBUTOS-KKVAFCGZSA-N 336.391 4.738 10 40 EJCB Cc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1C 6901866 GQSRTJYVNXRUTJ-UHFFFAOYSA-N 341.410 4.690 10 40 EJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1 112113477 CYSJWTITDHWMMA-BOPFTXTBSA-N 343.789 4.588 10 40 EJCB CCOc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4959547 VJPQKAVPYLXHQF-FRQCXROJSA-N 336.391 4.820 10 40 EJCB Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1 5171749 GDQDZNDPJXBFFH-MDWZMJQESA-N 335.837 4.647 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(C)s3)S2)c(C)c1 6831639 QQDQORYRSKVDPB-DHDCSXOGSA-N 328.462 4.756 10 40 EJCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cnccn2)cc1 20836963 ZGRSQDJINKJODP-WCWDXBQESA-N 331.379 4.761 10 40 EJCB CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 37363269 QNMIQCRDDJEMBW-QGZVFWFLSA-N 346.268 4.625 10 40 EJCB Cc1ccccc1/N=N/c1c(C)nn(C(N)=S)c1-c1ccccc1 104112393 RFAHKQOFUPLWKW-QZQOTICOSA-N 335.436 4.674 10 40 EJCB Cc1ccccc1Nc1ccc(C)c2c1C(=O)c1ccccc1C2=O 5002670 XSBGQPIPUBQCSI-UHFFFAOYSA-N 327.383 4.822 10 40 EJCB Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 86968 FKUCTQLWKBYBAP-OXQOHEQNSA-N 348.427 4.696 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4959501 MMFVALGIYAVNPU-FRQCXROJSA-N 336.391 4.820 10 40 EJCB O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccnc1 12625401 HGJOZTSRGKKYSC-BOPFTXTBSA-N 348.452 4.641 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1C 9232277 SNQSCMYHUXGALQ-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB CCN(CC)c1ccc(CNc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 226242149 XJJXWPPIVZSSHJ-UHFFFAOYSA-N 327.428 4.670 10 40 EJCB Cc1ccc2oc(-c3ccc(OCc4ccc(N)cc4)cc3)nc2c1 226294692 WVEOWJNFCNPKFY-UHFFFAOYSA-N 330.387 4.964 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 5900049 LLSHODAHOPBGRQ-WOJGMQOQSA-N 347.443 4.569 10 40 EJCB Cc1ccc(/C=C2\Sc3scc(-c4ccccc4)[n+]3C2=O)cc1 5854844 LLDSFSVXWQFHFS-BOPFTXTBSA-N 336.461 4.798 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2O)N3)C1 6358817 XCNHIYMDKUQUKY-APPDUMDISA-N 342.464 4.706 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 27533618 RFFJWBUVMUJNBB-XEXQVEHGSA-N 327.430 4.550 10 40 EJCB COc1cccc(CNc2ccc(Cl)cc2C(F)(F)F)c1O 44836354 LUUJSVSJSVZAII-UHFFFAOYSA-N 331.721 4.685 10 40 EJCB CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(C)cc1 15018385 IBSWQUAXVFGYBM-BKUYFWCQSA-N 326.399 4.954 10 40 EJCB CCOC(=O)NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1 100834541 LJSDARWRZBIXEY-VXPUYCOJSA-N 328.397 4.545 10 40 EJCB Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccccc2)c1 408764865 TYDYFRQGRSGSKL-XMHGGMMESA-N 344.439 4.891 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 4044850 HYMCVDDWZHBQOW-VEVIJQCQSA-N 325.795 4.865 10 40 EJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 6337783 KIMWWSKAIJIRMR-YDXVVIRGSA-N 349.390 4.708 10 40 EJCB CCN(CC)c1ccc(/N=N\c2ccc(Br)cn2)c(O)c1 12405033 HNVCXDAVEHOIBP-HNENSFHCSA-N 349.232 4.811 10 40 EJCB CCCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 16699690 FNUDJSUDCWLIPP-WJDWOHSUSA-N 349.521 4.723 10 40 EJCB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1O 19902617 FKAHSBXKXQRRCW-NRFANRHFSA-N 329.403 4.778 10 40 EJCB Cc1ccc(C2=C/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1 464684 KHPIJZWIGYRUIH-ZSOIEALJSA-N 341.750 4.538 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 4008060 ZNUJLLXTCNTMOF-ZWOKBUDYSA-N 337.394 4.829 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 4172135 OIOVQSHPKRBUIM-VKJFTORMSA-N 339.822 4.953 10 40 EJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(Cl)cc1 13765792 ODRLJBPOCLOEEH-WJDWOHSUSA-N 327.840 4.859 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 35038737 AMQDTMLHMSXONR-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB Cc1cc(NCc2cc(Br)ccc2O)ccc1Cl 44836291 WMTLYBMFBOZMOU-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB COc1cccc(CNc2ccc(OCc3ccccc3)cc2)c1O 44836314 LJQQFOYABKERNT-UHFFFAOYSA-N 335.403 4.592 10 40 EJCB CCN(CC)c1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 225467194 BOSPSLIGKGTBFH-UHFFFAOYSA-N 347.915 4.673 10 40 EJCB O=c1ccc2cc(/N=N/c3ccc(Br)cc3)ccc2o1 4109575 NBCALFBSXDQDOI-ISLYRVAYSA-N 329.153 4.971 10 40 EJCB O=C(c1ccccc1)N(Cc1ccccc1O)c1ccc(Cl)cc1 4698757 IPZNWDDKCZRNSS-UHFFFAOYSA-N 337.806 4.893 10 40 EJCB CC[C@@H](Nc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1O 72281439 LVELUDDXJAGQJI-CQSZACIVSA-N 339.464 4.757 10 40 EJCB O=[N+]([O-])c1cc(CNc2cccc3ccccc23)ccc1N1CCCC1 226241461 GCWINXYUXGNFQB-UHFFFAOYSA-N 347.418 4.960 10 40 EJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 2134500 BJFQJSHIKCEXET-VKJFTORMSA-N 325.795 4.865 10 40 EJCB biogenic CCCCOc1cccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 6273810 MHFMFVCIOVRWHG-HMMYKYKNSA-N 349.434 4.584 10 40 EJCB Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 96100807 PARZCLXSQFOXJV-AWEZNQCLSA-N 341.625 4.791 10 40 EJCB O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1ccccc1 408757220 WHBFTDRQEACUKH-QGOAFFKASA-N 348.402 4.722 10 40 EJCB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)s2)SC1=S 27051451 PSGMZEPNYXXEER-NTEUORMPSA-N 349.477 4.775 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2C)SC1=S 35038694 ACFUEUFNEWJJNY-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB Cc1ccccc1/C=C1\SC(Nc2ccc(Cl)cc2)=NC1=O 4426159 WYAMODNADVRLLW-GDNBJRDFSA-N 328.824 4.731 10 40 EJCB Cc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1 408733943 SOLLCDMKLKGYAU-UHFFFAOYSA-N 326.395 4.555 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5371152 HLWQAEYMIOQEGC-ATVHPVEESA-N 339.485 4.963 10 40 EJCB CCOc1cccc(CNc2ccc(OCc3ccccc3)cc2)c1O 44836381 RMJDUWQWZDCHBQ-UHFFFAOYSA-N 349.430 4.982 10 40 EJCB Cc1ccc(C)n1-c1ccc(CC(=O)Nc2ccc(F)cc2F)cc1 48355730 DZMMJNQMRDZOOJ-UHFFFAOYSA-N 340.373 4.554 10 40 EJCB O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=S)N1c1ccccc1 2711559 QRUXKQULKZAWCQ-UVTDQMKNSA-N 342.401 4.637 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2F)SC1=S 5559602 WJJCSXBETIQVAP-IEMQHYRPSA-N 343.448 4.788 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 409153834 NNAORMWTAAEXKP-SOZUMNATSA-N 340.354 4.569 10 40 EJCB Cc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 226241651 SAZUKZFMDLDNMW-MRXNPFEDSA-N 339.439 4.894 10 40 EJCB Cc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1C 94803 BYRBXUMSAGQXQP-UHFFFAOYSA-N 337.394 4.917 10 40 EJCB CN(C)Cc1cc(/N=N/c2ccccc2Cl)cc(CN(C)C)c1O 6005903 NGJVZHSVHYZXGL-QZQOTICOSA-N 346.862 4.584 10 40 EJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cccc(Cl)c1 5170500 NCHZRCOWLPMUQN-RIYZIHGNSA-N 349.839 4.885 10 40 EJCB CSc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 9189201 AUQDWPODYWYRQO-PTNGSMBKSA-N 349.546 4.942 10 40 EJCB Cc1cccc(/N=N\c2c(C)nn(C(=O)c3ccc(O)cc3)c2C)c1 104280379 LNAFQAIKISJKDO-MRCUWXFGSA-N 334.379 4.618 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 4140539 RIIOHIUWEGYOJT-MDZRGWNJSA-N 335.403 4.528 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1 16688867 SLYOYRRRMOARRK-AQTBWJFISA-N 346.361 4.892 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c(C)c1 1250333 VAOXHERYVXGXEH-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB Oc1c([C@@H](Nc2cccc(F)c2)c2ccccn2)ccc2cccnc12 79237 ORILGLXBHSBSKA-HXUWFJFHSA-N 345.377 4.676 10 40 EJCB CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 5845209 ZSJKDAYKEUWNGN-OQLLNIDSSA-N 347.436 4.695 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 6952917 MIHQYZHTDRMDAY-PMUMKWKESA-N 340.354 4.569 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Cl 16160842 PGNJJKHFGCGZNE-UVTDQMKNSA-N 346.217 4.712 10 40 EJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C1CCCCC1 16790825 YIJPHEUESDDKAR-SBFJKYRKSA-N 329.490 4.777 10 40 EJCB O=C1c2ccccc2C(=O)c2c1c(O)c(Cl)c1oc3ccccc3c21 15109884 IJRDIXZGEPNBFK-UHFFFAOYSA-N 348.741 4.720 10 40 EJCB COc1ccc(/N=N/N=c2\sc3cc(Cl)ccc3n2C)cc1 104265273 MEPPQPVWKILUKS-KRFFEMNTSA-N 332.816 4.501 10 40 EJCB COc1ccc2ccc(O)c(CN3CCC[C@@H]3c3cccs3)c2c1 8230183 XSUILUGUNUPERI-GOSISDBHSA-N 339.460 4.953 10 40 EJCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 302465 WBBTXVLXSCOTRE-QKLQHJQFSA-N 336.391 4.820 10 40 EJCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(Cl)c1 4387527 POOUANLEQAIUJI-NTOUICHMSA-N 347.848 4.895 10 40 EJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(Cl)c1 13713586 ZILUXSKFVAWDHO-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(Cl)c1 1248465 ZILUXSKFVAWDHO-RIYZIHGNSA-N 349.839 4.885 10 40 EJCB Cc1ccc(/C=C2/Sc3scc(-c4ccccc4)[n+]3C2=O)cc1 1637162 LLDSFSVXWQFHFS-GZTJUZNOSA-N 336.461 4.798 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(C(F)(F)F)cc1 97963963 YSNRUXLQHCBLDH-UCMDFWOYSA-N 346.312 4.580 10 40 EJCB COc1ccc2c(c1)CCCN2CCCCCCCN1CCCCC1 1577060 PEKCNRKCJWMDBJ-UHFFFAOYSA-N 344.543 4.884 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc(C)ccc1C 4358371 JCGUSAASUSPYFK-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 5371745 RGPLVACFFWFEPR-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408751716 BTOKSOJDTHWAIT-QGOAFFKASA-N 348.789 4.768 10 40 EJCB Fc1ccc(Nc2c(-c3ccccn3)nc3ccc(Cl)cn23)cc1 3906259 WWODOLZBGIYHAS-UHFFFAOYSA-N 338.773 4.932 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 3999520 BJFQJSHIKCEXET-RLFYNMQTSA-N 325.795 4.865 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 3071929 JLCLKDOZRMVIEV-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB Cc1cc(/C=C2/Sc3ccccc3NC2=O)ccc1N1CCCC1 409106719 TVXJZPFKABNSOK-CPNJWEJPSA-N 336.460 4.681 10 40 EJCB CN(C)c1ccc(/C=C2\CCCC[n+]3c2sc2ccccc23)cc1 32654956 YCXPOBKTFGZFPY-UHFFFAOYSA-N 335.496 4.979 10 40 EJCB Cc1cccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 226241609 DUESUMZXVQAEGC-UHFFFAOYSA-N 325.412 4.506 10 40 EJCB Cc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1C 408733207 GHFRPIJKBDKQMG-UHFFFAOYSA-N 340.422 4.863 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4132357 SMPRUDMZVSHSEE-DAYGRLMNSA-N 340.354 4.569 10 40 EJCB CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@H]3CCCCN32)cc1 19319080 NEVIELUTPGBCJW-DHIUTWEWSA-N 349.522 4.512 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 16292326 BZUQMEJHVZOBKZ-BOPFTXTBSA-N 339.485 4.705 10 40 EJCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC(F)F 70453952 LJVOTYNFAFXUOS-UHFFFAOYSA-N 342.345 4.986 10 40 EJCB CSc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 13547601 SLNXHTJMTDLVPB-PTNGSMBKSA-N 343.498 4.814 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2cccc(C)c2)SC1=S 35038717 HLWQAEYMIOQEGC-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB Cc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 9188698 DGKPVCVVCCEWQB-VMOJBDSFSA-N 339.485 4.957 10 40 EJCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cn2cc(C)cn2)cc1 59735829 CUZXKMYAESUUPP-WCWDXBQESA-N 347.422 4.862 10 40 EJCB N=c1[nH]c(-c2cccc([N+](=O)[O-])c2)c(/N=N\c2ccccc2)s1 104133981 XWKOMXGVKDJSQM-HNENSFHCSA-N 325.353 4.546 10 40 EJCB O=C(NCc1ccc(N2CCCCC2)cc1)Nc1cccc(Cl)c1 222629646 HNRCWGQJBVZJBL-UHFFFAOYSA-N 343.858 4.652 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1190295 LKNREEINIRIZAN-COOUDCDJSA-N 343.448 4.788 10 40 EJCB CC(C)c1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc1 5522839 XQDDLVONIJTVNF-BOPFTXTBSA-N 338.432 4.598 10 40 EJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1cccc(Cl)c1 18153316 LGAGMXCJMMKHFX-QZQOTICOSA-N 339.786 4.652 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 409160974 RVKIQDOPJLIWSS-MBOZVWFJSA-N 337.394 4.747 10 40 EJCB Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(F)cc2)c1 408762572 PKFOCRTVUYUMAF-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB CC[C@@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(C(C)C)CCO1 2111111 ILLKWPMHYLYABF-FCHUYYIVSA-N 346.559 4.854 10 40 EJCB biogenic Cc1cc(C(=O)NC2CCCCCC2)c(C)n1-c1ccc(F)cc1 2621443 CKWFPZOVYRPNHP-UHFFFAOYSA-N 328.431 4.686 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C)cc1C 6826474 VTARNSKTAJTZQR-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB CCCCC(O)(CCCC)C(=O)/N=N/c1c(O)[nH]c2ccccc12 103561285 SJUYGTABUUVAKQ-QZQOTICOSA-N 331.416 4.595 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S 3069347 WRHZUTHKOIKDPJ-VBKFSLOCSA-N 325.458 4.655 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2cccs2)SC1=S 5371607 PDROGIBJOCTMMM-GXDHUFHOSA-N 331.487 4.716 10 40 EJCB Cc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 27644698 LYVBPOJKSXWZQY-NRFANRHFSA-N 341.414 4.845 10 40 EJCB O=C1CCSC(=S)N1c1ccc(/N=N\c2ccccc2)cc1 104198568 QLLASYMJRNVPSI-ZCXUNETKSA-N 327.434 4.857 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 4151342 HJXWWKUHXNZTSM-GJYPPUQNSA-N 336.391 4.738 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)cc1 35647901 PQDAAATUPVNVAG-QGOAFFKASA-N 336.460 4.894 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 6710614 YNZMROBIOLJCPW-GDNBJRDFSA-N 329.446 4.556 10 40 EJCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1 13121716 PEJRHVZLNICCEL-OAQYLSRUSA-N 344.414 4.757 10 40 EJCB C[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(F)cc1F 164145 BOQBQOLKFRXTKS-UHFFFAOYSA-O 337.802 4.915 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 1449308 VSJICEZDAIPSHH-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4164937 FKUCTQLWKBYBAP-JXFKEZNVSA-N 348.427 4.696 10 40 EJCB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C 223342724 WXDCHTHYPCRZDN-GOSISDBHSA-N 336.479 4.785 10 40 EJCB CN(CCOc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc12 3396971 GBVPQVWQNCEGSC-UHFFFAOYSA-N 341.838 4.710 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1091133 NQOWWZSTHUWLSN-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2Cl)S1 13039384 BJBTUTKPPANVKO-XNTDXEJSSA-N 328.824 4.731 10 40 EJCB CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc2cccnc12 40155680 MPEZYNGAMVAKRH-UHFFFAOYSA-N 333.479 4.711 10 40 EJCB CC[C@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(N(C)C)cc1 104057064 KLJRICHFSFPUCC-OAQYLSRUSA-N 325.500 4.796 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2)c1 408755963 SORJZOXLLRHQGR-XMHGGMMESA-N 344.439 4.891 10 40 EJCB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 1008396 CWQLLVZBAFJREH-CPZHOGDASA-N 344.480 4.512 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4371923 OQMZDIRZHMKGTG-DAYGRLMNSA-N 339.822 4.953 10 40 EJCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/C=C/c1ccco1 5375836 YXBPMLFSBLWLCH-HNBAAQFOSA-N 330.796 4.572 10 40 EJCB CCc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@@H]21 252023342 ZUAPDWHXHORBBK-FBBABVLZSA-N 333.431 4.862 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4313634 FYRNGNXEXDIYMC-JCGVRSQUSA-N 340.354 4.569 10 40 EJCB COc1ccc([C@@H]2Nc3c(C)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4959523 XDFSRIBCWBUTOS-IIMJZQEZSA-N 336.391 4.738 10 40 EJCB CSc1ccc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1 32751478 QYQIDRAPCXLPGA-UHFFFAOYSA-N 345.508 4.749 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21 409170105 UAVSZHDACVUPQD-FHSNZYRGSA-N 325.795 4.865 10 40 EJCB CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(Cl)cc1 100496433 ODRLJBPOCLOEEH-LFIBNONCSA-N 327.840 4.859 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(F)c2)o1 8656761 DAGILFJIUGGZHI-UYRXBGFRSA-N 346.361 4.892 10 40 EJCB CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 96193273 MLOFXZCNANFGJF-ATVHPVEESA-N 340.810 4.545 10 40 EJCB Cc1cc(O)c(CN(C)[C@H](c2ccccc2)c2ccccn2)cc1C 67710132 SVJIXSWQGMZVIJ-JOCHJYFZSA-N 332.447 4.625 10 40 EJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1Cc1ccccc1 1194679 PRXZXJWMRSPHLR-GDNBJRDFSA-N 345.876 4.741 10 40 EJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 1151645 FXXOFECWHDFMSL-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 13785717 VWKWUKLOIXJUEQ-LCYFTJDESA-N 347.486 4.570 10 40 EJCB Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)cc1C(C)C 223709374 WAFHENZOPREYMI-UHFFFAOYSA-N 336.229 4.678 10 40 EJCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C 223342675 WXDCHTHYPCRZDN-SFHVURJKSA-N 336.479 4.785 10 40 EJCB COc1ccc([C@@H]2CCCN2Cc2c(O)ccc3ccccc23)cc1 16359738 XOIPTCAGDHENIA-NRFANRHFSA-N 333.431 4.891 10 40 EJCB O=C(O)[C@H](Nc1c2ccccc2nc2ccccc12)c1ccccc1 4602003 DSBZINUPUMCGNI-LJQANCHMSA-N 328.371 4.626 10 40 EJCB O=C1N=C(Nc2cc(Cl)cc(Cl)c2)S/C1=C/c1ccco1 106692 NPOHAIIHRBSNKO-KPKJPENVSA-N 339.203 4.669 10 40 EJCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(F)cc1 408765718 NJXVJQDDEVRMHG-HMMYKYKNSA-N 342.373 4.660 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@@H]2C=CC[C@@H]21 409164950 QBCIAKXOAHUEAB-LAPQFRIASA-N 335.403 4.528 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@H]32)cc1 19893945 SJCJJUIWZDKZQA-OPYAIIAOSA-N 333.431 4.917 10 40 EJCB Oc1c([C@H](Nc2nccs2)c2cccs2)ccc2cccnc12 141248 HPWSXGGWTUPJSA-HNNXBMFYSA-N 339.445 4.660 10 40 EJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 247384128 JWDYYDCNJVGOSH-KEYYUXOJSA-N 325.795 4.865 10 40 EJCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cccc(C(F)(F)F)c1 225326508 QDQOZXGSZXDLTB-UHFFFAOYSA-N 335.247 4.858 10 40 EJCB Cc1ccc(NCc2cc(Cl)ccc2O)c(Br)c1 21791479 ANHLUZMWCGZHGB-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(C)c1 408962451 SGJPFZMYJGZQCP-QNGOZBTKSA-N 341.414 4.592 10 40 EJCB Cc1cc(Br)ccc1NCc1ccc(N2CCCC2)cc1 35018450 RCCQARZQBGSUFM-UHFFFAOYSA-N 345.284 4.970 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 100479039 DHIUFRQKHIZKHW-MHWRWJLKSA-N 331.202 4.800 10 40 EJCB CC[C@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(C(C)C)CCO1 2111112 ILLKWPMHYLYABF-FGZHOGPDSA-N 346.559 4.854 10 40 EJCB biogenic CCN1/C(=C/c2ccc3ccccc3[n+]2C)Sc2cc(C)ccc21 4954381 LZZJZXJFSUZQDG-UHFFFAOYSA-N 333.480 4.903 10 40 EJCB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 5589191 IUNFTXUWSQQBRU-UHFFFAOYSA-N 325.795 4.967 10 40 EJCB Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 13123139 BCAJURJBQVGENH-OAQYLSRUSA-N 332.378 4.887 10 40 EJCB Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccs3)c(O)c2n1 21486987 ZHKMFXSAMQTNMX-LJQANCHMSA-N 347.443 4.907 10 40 EJCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccccc3)cc2)CC1 217884232 ONFDDKQJNCCCJD-CWRQFWGNSA-N 348.490 4.814 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1 6870902 FJEZPTBCZQUZLR-LDADJPATSA-N 336.460 4.948 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 226716146 QJQZEMCWHWYZDR-VKJFTORMSA-N 339.822 4.953 10 40 EJCB Cc1ccccc1/N=N\c1ccc2c(S(=O)(=O)O)cccc2c1O 104366751 OWTHHJCLYUKWJR-HNENSFHCSA-N 342.376 4.516 10 40 EJCB Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225693541 PMYQRSNJADVBNP-MRXNPFEDSA-N 339.508 4.643 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 226741364 RXZXHUGADNBZAD-TYILLQQXSA-N 339.822 4.953 10 40 EJCB Brc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409335838 ZABTUDYBBNEFEL-AAVRWANBSA-N 328.253 4.602 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 13389487 OUPOBTJOBQFJHU-FUHIMQAGSA-N 349.430 4.698 10 40 EJCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)o1 16769997 PWLDNFADTOZHEO-OQLLNIDSSA-N 329.446 4.611 10 40 EJCB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccs1 102907251 SUEDMBTZTFQXGD-OXJNMPFZSA-N 348.427 4.696 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 6960390 RVKIQDOPJLIWSS-SQGPQFPESA-N 337.394 4.747 10 40 EJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1ccccc1 59230292 TZJCJIZADUXGES-QGOAFFKASA-N 348.789 4.768 10 40 EJCB CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 102036867 MDUXOWOLCWKARO-OQLLNIDSSA-N 345.229 4.795 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(C)cc1 408965801 MEOYQYRXYNQHSA-QNGOZBTKSA-N 341.414 4.592 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21 409161452 XKNUUIJJHFODFO-NVGCLXPQSA-N 325.795 4.865 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)c1OC 409161942 XJZKSCFTDZRGTI-SNUQEOBHSA-N 343.373 4.809 10 40 EJCB CCOc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13389395 VJPQKAVPYLXHQF-GPMSIDNRSA-N 336.391 4.820 10 40 EJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 16693353 MDMHELIZVMWVFK-ATVHPVEESA-N 340.810 4.545 10 40 EJCB COc1ccc(OC)c([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)c1 36080663 JTAAONWPKMHVMJ-HYFFOGBASA-N 349.430 4.733 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)c2ccccc21 409121440 WYLGSYWQKYKMSL-SILNSSARSA-N 332.447 4.584 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)cc1C 521569 CPUAANYZVCYUAM-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1)[C@@H]1CC=C[C@H]21 6960411 QUYMLFCDTLWEJB-WAOWUJCRSA-N 349.430 4.617 10 40 EJCB Cc1cc(C)c(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)c(C)c1 33695685 HPHUQFWZBMQBPC-LICLKQGHSA-N 340.423 4.833 10 40 EJCB O=C1N=C(Nc2cc(Cl)cc(Cl)c2)S/C1=C\c1ccco1 106698 NPOHAIIHRBSNKO-GHXNOFRVSA-N 339.203 4.669 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 4959504 AFDNYIMLBRXEMD-MDZRGWNJSA-N 336.391 4.738 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 5371780 SNLBQWFPMAZYAA-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB CCc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 27229934 DVHZEDUXCZLXTA-WQRHYEAKSA-N 347.443 4.813 10 40 EJCB CCOc1ccc(/N=N\c2c(C)nc(N)nc2-c2ccccc2)cc1 17992248 MMSWFNSMMUDNQO-VHXPQNKSSA-N 333.395 4.848 10 40 EJCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=S)N=C3O)c2C)c1 33352692 BIILOYLDHQNEBF-DHDCSXOGSA-N 328.462 4.732 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226713532 XJJHLNYUTXOIBZ-JTDSTZFVSA-N 339.822 4.953 10 40 EJCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc2ccccc2c1 13228285 VIZAMBMDTLKPIE-BOPFTXTBSA-N 348.452 4.641 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc2ccccc2c1 100498713 ZRCODUVJYPCUIW-XKXPVHLMSA-N 328.375 4.715 10 40 EJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1cccc(Cl)c1 104201113 LGAGMXCJMMKHFX-MRCUWXFGSA-N 339.786 4.652 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408736939 DUZDCAVKIYPFAC-XFQAVAEZSA-N 335.403 4.641 10 40 EJCB Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(C)o3)nc2c1 3909857 KVELZMIBMBSXPU-UHFFFAOYSA-N 347.374 4.683 10 40 EJCB COc1ccc(-n2cnc3cc(NCc4ccc(C)cc4)ccc32)cc1 13799841 OPMYSQUCKVLCAM-UHFFFAOYSA-N 343.430 4.955 10 40 EJCB O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccco1 408978104 YCXQNTDLNCSGIL-UHFFFAOYSA-N 340.338 4.748 10 40 EJCB Cc1cccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c1O 4814049 JLGFDZOLDBGVMJ-QGZVFWFLSA-N 336.416 4.858 10 40 EJCB COc1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)c2ccccc12 39944302 POEVDVUGSKDMRB-HNENSFHCSA-N 342.376 4.511 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 409170434 VROTTXGVPRTXMW-RKVPGOIHSA-N 341.357 4.578 10 40 EJCB Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Cl)cc1 90263 FBNHHAHGTWTLHG-UHFFFAOYSA-N 344.886 4.662 10 40 EJCB CCc1ccc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)cc1 6366726 CMNLNJRIBFMRSX-PDGQHHTCSA-N 336.460 4.948 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 1446705 FGGIFONGPNVEIQ-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc(F)c1 5172434 SHOHXBSXOUVMBK-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB Cc1cc(/N=N/c2ccc(Br)cc2)cc(C(=O)O)c1O 70461942 MRUUAFBWIABBPL-WUKNDPDISA-N 335.157 4.577 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(C(F)(F)F)cc1 97963964 YSNRUXLQHCBLDH-SKAIHHOBSA-N 346.312 4.580 10 40 EJCB C[C@H](NC(=O)NC1CCCCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 225757271 UAXXDFNHLBFJON-SJORKVTESA-N 343.515 4.616 10 40 EJCB CC1=C(C(=O)OCCCc2ccccc2)Sc2cc(C)ccc2N1 4575119 VYWXOIHJGFSMFL-UHFFFAOYSA-N 339.460 4.920 10 40 EJCB O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C1CCC1 6402798 PRQPYYOUQOTPHR-QURGRASLSA-N 338.436 4.715 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 7099959 MTPQERVECBDYPT-PRXAMGSTSA-N 345.215 4.810 10 40 EJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1C1CCCCC1 60512489 GKCZPHHTPGABGY-UVTDQMKNSA-N 337.897 4.874 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 101358708 DAGILFJIUGGZHI-CPNJWEJPSA-N 346.361 4.892 10 40 EJCB CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12 319181 LLPARWQLANGUEP-JOCHJYFZSA-N 333.431 4.894 10 40 EJCB CC1=C(C)C[C@H]2C(=O)c3c(c(Cl)c4ccccc4c3O)C(=O)[C@H]2C1 1585201 LCUHMZGUYAPOCX-UONOGXRCSA-N 340.806 4.940 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5371571 YNZMROBIOLJCPW-XNTDXEJSSA-N 329.446 4.556 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 6952894 NNAORMWTAAEXKP-PZROIBLQSA-N 340.354 4.569 10 40 EJCB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@@H](c2ccccc2O)C1 17070605 YKAXTCQYQURFBP-QGZVFWFLSA-N 335.382 4.789 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409167143 HBFGOLHTXVWRGF-QWQRMKEZSA-N 340.354 4.569 10 40 EJCB CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4774575 MZKPZDRFDHZNND-ISLYRVAYSA-N 343.343 4.765 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 100147877 SFRJBRHKTWQLCB-NTUHNPAUSA-N 347.201 4.505 10 40 EJCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1ccccc1Cl 5550945 GSHKMNYGVFCSAT-ZROIWOOFSA-N 332.787 4.562 10 40 EJCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C\c1ccc(F)cc1 13714544 YWZJMOKISDNVOO-ZSOIEALJSA-N 332.787 4.562 10 40 EJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)c1 409152941 KLTGWMBTXGHWNG-CPUCHLNUSA-N 328.318 4.700 10 40 EJCB Cc1cc(C)cc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c1 10006448 AFFQXSDRQMLLIU-UHFFFAOYSA-N 345.855 4.564 10 40 EJCB CCN(CC)c1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 224857087 JWCMQYQYQUMWRL-UHFFFAOYSA-N 331.847 4.508 10 40 EJCB Cc1cc(C)cc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1 94882 RJMJFUUPMLVWCO-UHFFFAOYSA-N 325.433 4.840 10 40 EJCB Cc1cc2c(n1-c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)CC2=O 2512819 BFASLLAFMNABSF-UHFFFAOYSA-N 332.787 4.502 10 40 EJCB CCc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 13940345 PTZXEAQTNXYSSN-ATVHPVEESA-N 339.485 4.650 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)cc1 5784101 VGIIMQDYISWWRF-OQLLNIDSSA-N 346.814 4.870 10 40 EJCB Clc1cccc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21 408736547 XQPQTONMQMZRPI-VBHSOAQHSA-N 325.795 4.895 10 40 EJCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccccc1 408763237 MFEQKEMSBNOTAF-QGOAFFKASA-N 348.402 4.722 10 40 EJCB O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccc(F)cc1 18054290 HYEJGWAIPMGSGX-ZROIWOOFSA-N 332.787 4.562 10 40 EJCB CN1/C(=C\C=C\c2sc3ccccc3[n+]2C)Sc2ccccc21 5159507 WRYJHERQVXYYJI-UHFFFAOYSA-N 337.493 4.823 10 40 EJCB CC1=NN(c2cccc3ccccc23)C(=O)[C@H]1/N=N/c1ccccc1 100529970 FHLRJYUFDZOCDL-XJUMHSELSA-N 328.375 4.715 10 40 EJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1c(C)cccc1C 6556657 TXBQTSOTGVFLIT-LDADJPATSA-N 333.435 4.639 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(C)ccc2O)N3)C1 4545418 BNGLTGSVLDPXTP-DIFFPNOSSA-N 342.464 4.706 10 40 EJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(Cl)cc1 18168913 GLPKVCAVKWFEQV-QZQOTICOSA-N 339.786 4.652 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl 102572113 UEENJMILBUAHJE-CVTQAYBASA-N 347.205 4.868 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6630696 TZUALSPNLVAWEW-FRQCXROJSA-N 337.394 4.829 10 40 EJCB O=S(=O)(O)c1ccc(/N=N\Sc2ccc3ccccc3c2)cc1 17299293 WNWUGQHPIVNCRT-ZCXUNETKSA-N 344.417 4.878 10 40 EJCB O=C1/C(=C\c2cccs2)C(c2ccccc2)=NN1c1ccccc1 4508845 QAQBEZBMUHVXHQ-JXAWBTAJSA-N 330.412 4.583 10 40 EJCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCC1 10910096 FSZWTJSEEITMEW-NRFANRHFSA-N 331.415 4.551 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409153063 CMDPIPYTXDWRQR-LPMFXHHGSA-N 335.403 4.610 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35040351 SNLBQWFPMAZYAA-LFIBNONCSA-N 343.448 4.794 10 40 EJCB CCc1nn2c(c1-c1ccccc1)N=C(C)C[C@@H]2c1ccccc1O 16161137 RJCKOJMXYOHFQA-GOSISDBHSA-N 331.419 4.904 10 40 EJCB O=C1/C(=C/Nc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 618255250 UBGDWAJDHSEAHA-UVTDQMKNSA-N 346.864 4.658 10 40 EJCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C/c1ccccc1 8435888 WQNYAFJBGOPSSW-QGOAFFKASA-N 330.412 4.922 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccc(F)cc4)C(=O)O3)ccc2c1 408722383 IABHCOIWLAGKFC-ZDLGFXPLSA-N 346.357 4.969 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 409164945 QAUVFZNXNWQWJO-KSMMKXTCSA-N 335.403 4.528 10 40 EJCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(F)cc1 1859948 KGNIXPQERDWBPH-NTEUORMPSA-N 332.787 4.562 10 40 EJCB Nc1c(C(=O)O)sc2nc(-c3cc(Cl)ccc3Cl)ccc12 8783378 KVECOOYHKNQLNM-UHFFFAOYSA-N 339.203 4.551 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 3636242 HJXWWKUHXNZTSM-FCEWJHQRSA-N 336.391 4.738 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c1 6844388 BAUHSTKWHQVBAD-DHDCSXOGSA-N 329.446 4.611 10 40 EJCB CC[C@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12 20292098 RGSPHZMFORVAPR-ZDUSSCGKSA-N 349.858 4.533 10 40 EJCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72216811 CJNJDRIFWPDXMK-NRFANRHFSA-N 331.463 4.826 10 40 EJCB Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2Cl)C1 5023411 ZJQBOCJNMDGEBH-ZDUSSCGKSA-N 341.625 4.791 10 40 EJCB biogenic O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)c1 409152959 KLTGWMBTXGHWNG-KEYYUXOJSA-N 328.318 4.700 10 40 EJCB Oc1c([C@H](Nc2cccc(F)c2)c2ccccn2)ccc2cccnc12 79248 ORILGLXBHSBSKA-FQEVSTJZSA-N 345.377 4.676 10 40 EJCB Cc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1Cl 4674911 LRUJZXIMDZAZAC-UHFFFAOYSA-N 332.812 4.927 10 40 EJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 225693569 MCKKIVDIJJNXIE-INIZCTEOSA-N 339.508 4.643 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4cccs4)C(=O)O3)ccc2c1 408723452 VFTQSMURDMEPFS-WJDWOHSUSA-N 334.396 4.891 10 40 EJCB COc1ccc(/N=N/N=c2/sc3cc(Cl)ccc3n2C)cc1 5580254 MEPPQPVWKILUKS-RZBFYTONSA-N 332.816 4.501 10 40 EJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21 409172367 CYXBYCRGNWHWNE-NVGCLXPQSA-N 328.318 4.700 10 40 EJCB CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12 319179 LLPARWQLANGUEP-QFIPXVFZSA-N 333.431 4.894 10 40 EJCB CN(Cc1nc2ccccc2s1)Cc1c(O)ccc2ccccc12 57553824 AEUWKLCRKDVZPP-UHFFFAOYSA-N 334.444 4.787 10 40 EJCB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102332209 KIMWWSKAIJIRMR-TYOXBBRLSA-N 349.390 4.708 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccccc4O)C(=O)O3)ccc2c1 408723694 ZZRXFIREKUJAFK-WQRHYEAKSA-N 344.366 4.535 10 40 EJCB Oc1c([C@H](Nc2nccs2)c2ccccc2)ccc2cccnc12 86133 NQYFDGQDVDDGGJ-MRXNPFEDSA-N 333.416 4.598 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 4852950 KGHDYQBQZDWOQU-BXWFABGCSA-N 336.391 4.820 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)s1 60510614 MEDXJQSDBRHZNG-JYRVWZFOSA-N 335.450 4.601 10 40 EJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)c1 409152963 KLTGWMBTXGHWNG-VBQJREDUSA-N 328.318 4.700 10 40 EJCB CCOc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 302483 VJPQKAVPYLXHQF-JTDSTZFVSA-N 336.391 4.820 10 40 EJCB Cc1cc(O)c(CN(C)Cc2ccc(N(C)C)cc2)cc1C(C)C 8428800 GSZOZPNOJMHSHX-UHFFFAOYSA-N 326.484 4.522 10 40 EJCB CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S 409008255 XIJJXBUXXPTRBS-RAXLEYEMSA-N 347.486 4.652 10 40 EJCB Cc1ccc(C(=O)c2ccc3c4c(onc24)-c2ccccc2C3=O)cc1 348173 JSDOHZMLIPRMJE-UHFFFAOYSA-N 339.350 4.579 10 40 EJCB COc1ccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn23)cc1 3906265 VTLORRDAQNHLGI-UHFFFAOYSA-N 339.782 5.000 10 40 EJCB CCN(CCCNC(=S)Nc1ccc(C)cc1)c1ccc(C)cc1 225732522 QZAGMBUNVOPDBB-UHFFFAOYSA-N 341.524 4.506 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112112743 ZBIZLBKLVHUIGZ-AQTBWJFISA-N 339.826 4.757 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC2CCCC2)cc1 15016008 SAHVJBIQJZQSCL-QNGOZBTKSA-N 346.430 4.814 10 40 EJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 409173273 IBFKCSHNQZVCFC-QWQRMKEZSA-N 339.822 4.953 10 40 EJCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 4648590 CWQLLVZBAFJREH-DLRWLJPMSA-N 344.480 4.512 10 40 EJCB COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 58928480 WUPFGSHRGXIUEH-UVFQYZLESA-N 337.419 4.539 10 40 EJCB CSc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 96505503 AUQDWPODYWYRQO-RVDMUPIBSA-N 349.546 4.942 10 40 EJCB CCN(C1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1)c1ccccc1 5374517 YVFGWASHWOJNSK-PDGQHHTCSA-N 347.443 4.665 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 409156470 NVWDPPHHLMCBSB-SIFCLUCFSA-N 337.394 4.747 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 6950508 RXZXHUGADNBZAD-BIENJYKASA-N 339.822 4.953 10 40 EJCB O=C(Nc1c2ccccc2nc2ccccc12)c1cc(Cl)ccc1O 5336982 FSZYVGZQXWVCSR-UHFFFAOYSA-N 348.789 4.999 10 40 EJCB Cc1cc(C(=O)OCc2cccc(F)c2)c(C)n1-c1ccc(F)cc1 6831312 DLFZMFMFYIGHDK-UHFFFAOYSA-N 341.357 4.729 10 40 EJCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1ccc([N+](=O)[O-])cc1 408723397 UABSHBOZCSIROX-VBKFSLOCSA-N 343.338 4.729 10 40 EJCB CCN(C)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 584577187 CICBOMVEPRQYQZ-UHFFFAOYSA-N 341.842 4.789 10 40 EJCB CN(C)c1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 520793 BKPVLNCGGPPWNO-NRFANRHFSA-N 340.430 4.742 10 40 EJCB CCCN[C@@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl 5838866 QNOXUKLZMDYKQI-AWEZNQCLSA-N 337.722 4.944 10 40 EJCB CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 559554 BVUOQHRLYCYESP-UHFFFAOYSA-N 347.414 4.673 10 40 EJCB COc1cc2c(cc1NCc1ncc(Cl)n1C)oc1ccccc12 96969735 HDYLBBLPFSHCSF-UHFFFAOYSA-N 341.798 4.594 10 40 EJCB COC(=O)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4481850 LFJQOXLALJZPEQ-TXPKVOOTSA-N 339.822 4.953 10 40 EJCB CN(Cc1c(O)ccc2cc(Br)ccc12)C1CCCC1 40019913 JUHWEVJKJRVAGZ-UHFFFAOYSA-N 334.257 4.682 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6951569 WMHRYKXTCDIPIS-HDMKZQKVSA-N 340.354 4.569 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409161106 WMHRYKXTCDIPIS-RVKKMQEKSA-N 340.354 4.569 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 6344629 VNUSINHARRHBKC-GDZNZVCISA-N 325.795 4.865 10 40 EJCB Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 13121765 GAPRSYVKBMTILY-CYBMUJFWSA-N 341.625 4.791 10 40 EJCB Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccs3)c(O)c2n1 21486988 ZHKMFXSAMQTNMX-IBGZPJMESA-N 347.443 4.907 10 40 EJCB O=C1c2ccccc2C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 103609242 IXCGZVUOUXKHFD-DQRAZIAOSA-N 327.343 4.903 10 40 EJCB CC[C@@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(C(C)C)CCO1 2111113 ILLKWPMHYLYABF-VXKWHMMOSA-N 346.559 4.854 10 40 EJCB biogenic CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5869925 QHNMTZXIKXZKBB-IZZDOVSWSA-N 332.277 4.605 10 40 EJCB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccccc2)cc1 408754360 QKLMGVNLLOTMME-XMHGGMMESA-N 344.439 4.891 10 40 EJCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 4003791 WJEZWQMZTHVORU-KEYYUXOJSA-N 327.225 4.671 10 40 EJCB CCCCCCN1C(=O)/C(=C\Nc2cc(C)cc(C)c2)SC1=S 5021807 VVTYCMAMQFIXPQ-FOWTUZBSSA-N 348.537 4.997 10 40 EJCB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1c1ccccc1 6190277 JDZFOYUQDOHKDD-SFQUDFHCSA-N 348.452 4.641 10 40 EJCB Oc1ccccc1C1=NN2[C@H](c3cccs3)Oc3ccccc3[C@H]2C1 6721624 SUEDMBTZTFQXGD-UZLBHIALSA-N 348.427 4.696 10 40 EJCB Cc1cc(/N=N/c2ccccc2Br)cc(C(=O)O)c1O 70461936 OGZVGDMBQGKOCB-WUKNDPDISA-N 335.157 4.577 10 40 EJCB CCOc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1 408873989 YGPUFFHCLOUCNT-LQWHRVPQSA-N 349.430 4.918 10 40 EJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)c1 245174455 YNCBLTREGCXWAF-UWJYYQICSA-N 346.386 4.536 10 40 EJCB CCn1c2ccccc2c2cc(/N=N/c3ccc(N)nc3N)ccc21 17139778 MCCNUGZOMUPADR-WCWDXBQESA-N 330.395 4.789 10 40 EJCB Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4164934 FKUCTQLWKBYBAP-OXJNMPFZSA-N 348.427 4.696 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 58854631 BJXAHRTWCXCFED-LFIBNONCSA-N 330.309 4.512 10 40 EJCB CCOc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 409338047 CADCKBLMVLHTIE-FOWTUZBSSA-N 347.505 4.619 10 40 EJCB Cc1ccc(C)n1-c1ccc(-c2ccnc(-c3ccncc3)n2)cc1 1386316 XJYNNCURQSDYAQ-UHFFFAOYSA-N 326.403 4.613 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c1C 2445947 ZOOKFWNTZOPYMC-RMASLCFXSA-N 341.457 4.858 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 5371783 RMBYMLWZYAFAKI-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 103919198 WNGQOZPCVKHXSA-HKWRFOASSA-N 349.434 4.584 10 40 EJCB Cc1cc2n(n1)[C@@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 1430286 QTGBBSHOQWLIRJ-NRFANRHFSA-N 327.387 4.690 10 40 EJCB Oc1c([C@@H](Nc2ccccn2)c2ccccc2)ccc2cccnc12 22911740 WHPVVFZPXKODBB-IBGZPJMESA-N 327.387 4.537 10 40 EJCB in-vitro Cc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)cc1 34184742 VFJFKXOHOVVBGO-SFQUDFHCSA-N 328.367 4.835 10 40 EJCB Cc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912895 PFMAUOZQGRZCSA-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB CCOC(=O)c1sc2nc3c(cc2c1N)[C@H](C)CC[C@H]3C(C)C 6392447 TVHMBCNJVKIENZ-MNOVXSKESA-N 332.469 4.692 10 40 EJCB Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 34772884 WKRDHRRQKRSBBR-UHFFFAOYSA-N 341.838 4.819 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)c(Cl)c1 102570079 LVPZPIBZYHHEAK-GXDHUFHOSA-N 346.217 4.712 10 40 EJCB CN(C)Cc1cc(/N=N/c2ccc(Cl)cc2)cc(CN(C)C)c1O 6005908 SDPLEMKWNZHRLJ-QZQOTICOSA-N 346.862 4.584 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 6344677 VNUSINHARRHBKC-AHIWAGSCSA-N 325.795 4.865 10 40 EJCB Cc1ccc(C2=C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1 6795695 CIWOSHOAHHIHRM-CXUHLZMHSA-N 335.359 4.501 10 40 EJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C/c1ccccc1 8435890 WGFZJJTXOBQZHP-GXDHUFHOSA-N 348.349 4.788 10 40 EJCB COc1ccc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 14165844 XDFSRIBCWBUTOS-UVFQYZLESA-N 336.391 4.738 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cccc(Cl)c1 15134518 AZPPAIHEFRNDJU-WQRHYEAKSA-N 339.826 4.675 10 40 EJCB O=C1c2ccccc2-c2nnc(-c3cc(Cl)sc3Cl)cc21 49014 DWDIWBGEEYFBQC-UHFFFAOYSA-N 333.199 4.723 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4140532 QWJMABCFVYELBB-FCEWJHQRSA-N 335.403 4.610 10 40 EJCB Oc1c(Cl)cccc1CN1CC=C(c2c[nH]c3ccccc23)CC1 95467760 VZRPDNDLMVFQFH-UHFFFAOYSA-N 338.838 4.816 10 40 EJCB O=C1NN=C(c2ccccc2)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 227083 ULOWTXIFKDDOSZ-ATVHPVEESA-N 348.789 4.518 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1 5371573 ODCSYVZUXBDFKD-XNTDXEJSSA-N 329.446 4.556 10 40 EJCB c1ccc2c(NCc3ccc4c(c3)OCO4)c3ccccc3nc2c1 5604845 PBYXZFGCMDBLQI-UHFFFAOYSA-N 328.371 4.729 10 40 EJCB Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 27644691 LYVBPOJKSXWZQY-OAQYLSRUSA-N 341.414 4.845 10 40 EJCB COc1cccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1 408722226 FJYSBNOVXDCQCO-ATVHPVEESA-N 328.367 4.830 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 100148216 DHBHQWVCSSQXCP-XMHGGMMESA-N 328.371 4.753 10 40 EJCB CCOc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 4471753 LHZUGQLZVGSFGB-GXDHUFHOSA-N 347.486 4.553 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(Cl)cc(Cl)c1 13395682 AQWWJKBVOMLHII-YBEGLDIGSA-N 346.217 4.712 10 40 EJCB COc1cccc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1O 44836350 LDAQBHJWDQWRFV-UHFFFAOYSA-N 331.721 4.685 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 264150 BJFQJSHIKCEXET-HDMKZQKVSA-N 325.795 4.865 10 40 EJCB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1c1ccccc1 1601032 HYZLCMOSSFJTFV-ATVHPVEESA-N 348.452 4.641 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 3999519 BJFQJSHIKCEXET-DAYGRLMNSA-N 325.795 4.865 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 4140422 IXWGTQAZOIAHLF-LQWHRVPQSA-N 333.431 4.998 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959568 BKTOQYXUAMNDDY-OPYAIIAOSA-N 349.430 4.698 10 40 EJCB Brc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 6971291 YGOZJLHOLQQZEC-HEHGZKQESA-N 327.225 4.671 10 40 EJCB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1OC 8168987 CSWPWTAKPOLUDQ-IQUTYRLHSA-N 325.383 4.669 10 40 EJCB O=C1NN=C(c2ccccc2)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 83306207 ULOWTXIFKDDOSZ-SFQUDFHCSA-N 348.789 4.518 10 40 EJCB CCOc1c(/N=N\c2ccccc2C)c(C)nn1C(=S)SC 104241090 ZJWSIRQQCKBEAA-MSUUIHNZSA-N 334.470 4.810 10 40 EJCB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 227157704 KEUHWFLPFTVRLE-UHFFFAOYSA-N 330.746 4.574 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)c1 409161385 UKGJJMWANLNQQF-QINHECLXSA-N 335.403 4.528 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(F)cc2)cc1 408759046 WXKBUNJJNFJCCQ-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB CCCCOC(=O)c1cccc(/N=N/c2ccc(O)c(C=O)c2)c1 70462695 CZODTGKTRCTRIN-FMQUCBEESA-N 326.352 4.577 10 40 EJCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccccc1[N+](=O)[O-] 408722623 MKIZDPILCQKQNY-PDGQHHTCSA-N 343.338 4.729 10 40 EJCB O=C1/C(=C/c2ccccc2F)SC(=S)N1c1ccc(Cl)cc1 6258420 ARAFTWAUKZBTIM-ZROIWOOFSA-N 349.839 4.885 10 40 EJCB Cc1cc(O)c(CN(C)[C@@H](c2ccccc2)c2ccccn2)cc1C 67710131 SVJIXSWQGMZVIJ-QFIPXVFZSA-N 332.447 4.625 10 40 EJCB CC1CCN([C@@H](c2ccccc2)c2ccc3cccnc3c2O)CC1 4139962 HZNHTAMFWBXPCW-NRFANRHFSA-N 332.447 4.762 10 40 EJCB Cc1cc(C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccc(F)cc1 24383869 GMENVGAGRPCCBM-UHFFFAOYSA-N 342.439 4.567 10 40 EJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 35534031 YWWGHMWJSACFCU-MPGHIAIKSA-N 325.795 4.865 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 1306255 CPVYNNOMNVUPBL-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB Cc1ccc(C)n1[C@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1 4089664 GGWFBFBOFXATQV-OAQYLSRUSA-N 349.430 4.748 10 40 EJCB CC[n+]1c(/C=C2\Sc3ccccc3N2C)ccc2cc(C)ccc21 4798156 PCMAWSSAFZFTOF-UHFFFAOYSA-N 333.480 4.996 10 40 EJCB CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(O)cc1 1466236 AXLXCETVFZNQRI-UHFFFAOYSA-O 331.848 4.825 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1239965 XMYPSMYLLBJLPB-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB Cc1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 12671029 SMQYMAVYZRHNIE-HNENSFHCSA-N 342.376 4.516 10 40 EJCB in-vitro CCN(CC)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 224186698 MPOZMYHWVQDPLZ-UHFFFAOYSA-N 331.847 4.508 10 40 EJCB Oc1c([C@H](Nc2ccccc2)c2ccccn2)ccc2cccnc12 125987 ZFGVIHXNMJUQJB-FQEVSTJZSA-N 327.387 4.537 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(C)ccc2O)N3)C1 4545421 BNGLTGSVLDPXTP-APPDUMDISA-N 342.464 4.706 10 40 EJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccccc2O)c1 32863729 POTUPLBTEZAHQZ-UHFFFAOYSA-N 340.810 4.705 10 40 EJCB O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 1252311 IGSAQXPVIKWHEX-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1OC)[C@@H]1CC=C[C@H]21 6960446 LFISYRGARLJQOX-MRUHUIDDSA-N 349.430 4.617 10 40 EJCB CC1(C)Oc2c(ccc(O)c2CN2CCCCC2)C2=C1CCCC2 1704292 JABLKKBLKWEMNH-UHFFFAOYSA-N 327.468 4.877 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S 6710621 PDROGIBJOCTMMM-UVTDQMKNSA-N 331.487 4.716 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 13566860 DHIUFRQKHIZKHW-YBEGLDIGSA-N 331.202 4.800 10 40 EJCB COC(=O)c1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 4713891 UTBZYZQSIPPXMZ-XDHOZWIPSA-N 348.398 4.578 10 40 EJCB CCOc1c(/N=N/c2ccccc2C)c(C)nn1C(=S)SC 17142264 ZJWSIRQQCKBEAA-WUKNDPDISA-N 334.470 4.810 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)c(OC)c1 58928650 MPKPFALJZVLKSY-HYFFOGBASA-N 349.430 4.733 10 40 EJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3F)cc2)C1 24613785 RLQDKZIRNZXARX-HZPDHXFCSA-N 340.442 4.553 10 40 EJCB Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)c1 1416043 GQTKWUZTGSSYES-LFIBNONCSA-N 325.458 4.709 10 40 EJCB CC[C@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(C(C)C)CCO1 2111115 ILLKWPMHYLYABF-YADHBBJMSA-N 346.559 4.854 10 40 EJCB biogenic C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2443636 HZRAXYWNEKCZJJ-COOUDCDJSA-N 343.448 4.788 10 40 EJCB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102332215 KIMWWSKAIJIRMR-ZTHCVNGTSA-N 349.390 4.708 10 40 EJCB CCCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 6648852 AMBRVEUIFJSISZ-UHFFFAOYSA-N 346.839 4.766 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccccc4F)C(=O)O3)ccc2c1 408722085 DFFPIFJYTHLPCA-WQRHYEAKSA-N 346.357 4.969 10 40 EJCB Oc1ccccc1[C@H]1CC(c2ccccc2)=N[C@H](c2ccccc2)N1 80325012 QLLGQVLIHCCTLM-IRLDBZIGSA-N 328.415 4.615 10 40 EJCB O=C1c2ccccc2C(=O)C1(Sc1ccccc1)c1ccccc1 1430234 ABKYTUWTUZKMFA-UHFFFAOYSA-N 330.408 4.753 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4140443 XXHWDSGFRVUSIG-FRQCXROJSA-N 337.394 4.829 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140530 QWJMABCFVYELBB-BXWFABGCSA-N 335.403 4.610 10 40 EJCB Oc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 13123138 BCAJURJBQVGENH-NRFANRHFSA-N 332.378 4.887 10 40 EJCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)cc1 35043314 QTAJTROKBNXIFP-LFIBNONCSA-N 342.851 4.985 10 40 EJCB S=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1 6276897 RYTIUDPFUOGZLC-UHFFFAOYSA-N 346.670 4.960 10 40 EJCB COc1ccc([C@H]2Nc3c(C)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4959524 XDFSRIBCWBUTOS-AKCHCHLHSA-N 336.391 4.738 10 40 EJCB Clc1ccc(N2CCN(C3=Cc4ccccc4C3)CC2)cc1Cl 63567713 FQIWPYONXVKPHQ-UHFFFAOYSA-N 345.273 4.713 10 40 EJCB Cc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 9188718 SZKCQTGWOWVZRP-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1 8101600 VROTTXGVPRTXMW-DAYGRLMNSA-N 341.357 4.578 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)c(C)c1 5696030 SZLSWAXCJIPOOH-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB Cc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 17176012 TZVSAMKZQPJQBY-LTGZKZEYSA-N 338.410 4.830 10 40 EJCB CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 409340068 PYRHBZNKGJTYSQ-YFHOEESVSA-N 332.277 4.605 10 40 EJCB O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 101154953 HBHZKFOUIUMKHV-ZCXUNETKSA-N 338.279 4.777 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc1 107174581 SJCJJUIWZDKZQA-LQWHRVPQSA-N 333.431 4.917 10 40 EJCB O=C1N=C(c2ccccc2)S/C1=C\c1c(O)ccc2ccccc12 3182969 MWLKZFPMIAJJEJ-PDGQHHTCSA-N 331.396 4.607 10 40 EJCB Oc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1O 5687430 QVMLYTKGBFGBBV-UHFFFAOYSA-N 334.400 4.883 10 40 EJCB Cc1cccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c1C 6924442 BYBGUDGDISNFNL-ZDLGFXPLSA-N 347.443 4.867 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 409153833 NNAORMWTAAEXKP-FMTVUPSXSA-N 340.354 4.569 10 40 EJCB COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2c(O)ccc3ccccc23)cc1 3628966 YOIHFZKBVYBKSD-FQEVSTJZSA-N 347.414 4.668 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 20713202 RMUOVZKHXFFEFZ-TYILLQQXSA-N 336.391 4.820 10 40 EJCB C[C@H](c1ccccc1O)N(C)Cc1csc(-c2ccccc2F)n1 89909759 KVTWOQVWJLYOHE-CYBMUJFWSA-N 342.439 4.848 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1C 1837903 FYPPZDRNGWYFTL-ZDLGFXPLSA-N 347.443 4.867 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c(C)c1 2247200 FLKDEMBKTNICTP-DHDCSXOGSA-N 329.446 4.611 10 40 EJCB Cc1ccc(/N=N/c2c(N)nn3c(C(F)(F)F)cc(C)nc23)c(C)c1 3849089 CQFNURNJNQBQCZ-GHVJWSGMSA-N 348.332 4.671 10 40 EJCB CC1=C/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 4712222 HGSIVUHBIUIOBW-FMIVXFBMSA-N 331.165 4.553 10 40 EJCB CCc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 252023346 ZUAPDWHXHORBBK-HFSMHLIXSA-N 333.431 4.862 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)c(C)c1 5850525 NXXDSENAVHOGLO-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1OC 8168990 VDVRSWYDWHYIFQ-VEVIJQCQSA-N 325.383 4.669 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)s1 35104985 MAFQQGVARKAFIR-JYRVWZFOSA-N 335.450 4.601 10 40 EJCB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2cccc(C)c2)cc1 408766928 XCUJFWZFQXKKRY-XSFVSMFZSA-N 342.398 4.731 10 40 EJCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 408904392 IUVXRBQLIMLKBV-AUQXIXNCSA-N 334.419 4.670 10 40 EJCB Cc1[nH]cnc1CSCCOC(c1ccccc1)c1ccccc1 2187356 QBXOTSRUZXMIMX-UHFFFAOYSA-N 338.476 4.758 10 40 EJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 16268507 ZWXSPSKRYAJYQU-WQRHYEAKSA-N 348.427 4.571 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(C)c2O)N3)C1 8197258 SOPWVMWKNSTHJM-PIGZYNQJSA-N 342.464 4.706 10 40 EJCB Oc1ccccc1[C@@H]1CC(c2ccccc2)=N[C@H](c2ccccc2)N1 80325004 QLLGQVLIHCCTLM-UNMCSNQZSA-N 328.415 4.615 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c1 5375816 HLJNJDGQQABVOC-ZFBSGXTPSA-N 327.430 4.550 10 40 EJCB COc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 59505725 VDRSWRZZWICOJL-MDWZMJQESA-N 347.197 4.983 10 40 EJCB CC(C)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 409197585 JISGJJAWWDCEEQ-XDHOZWIPSA-N 330.431 4.814 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 14165836 MMFVALGIYAVNPU-GJYPPUQNSA-N 336.391 4.820 10 40 EJCB Cc1cccc(/N=N/c2c(-c3ccccc3)nn(C(N)=S)c2C)c1C 17130653 PIJDBTOUFQIYRJ-QURGRASLSA-N 349.463 4.982 10 40 EJCB CCn1c(/C=C/c2cn(CC)c3ccccc23)nc2ccccc2c1=O 4536178 ZLVUKAHCVZDSJT-BUHFOSPRSA-N 343.430 4.561 10 40 EJCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)NC1=O 2834873 IUJLITCJDGJSKS-LFIBNONCSA-N 343.473 4.508 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4313635 FYRNGNXEXDIYMC-VEVIJQCQSA-N 340.354 4.569 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1C 4644681 QEJWWULVMXQOKS-NTEUORMPSA-N 331.487 4.771 10 40 EJCB O=C(C(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 5258128 NSTDHONJTUOYLX-UHFFFAOYSA-N 326.480 4.557 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 35038680 KYPCPBCOMFUHNK-LFIBNONCSA-N 325.458 4.709 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6960277 OGPWSLKYVJLQNH-ABSDTBQOSA-N 337.394 4.747 10 40 EJCB CC(C)(C)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5551977 XEKPUTHUENJVMK-PTNGSMBKSA-N 327.474 4.840 10 40 EJCB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccccc1Cl 408945908 LUJHSWPTPMEWCN-UHFFFAOYSA-N 325.795 4.815 10 40 EJCB CN(C)c1ccc(CNCC[C@H](c2ccccc2)c2ccco2)cc1 2103104 JKNUJTKKBYFXNU-OAQYLSRUSA-N 334.463 4.657 10 40 EJCB biogenic CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(OC)cc2)c1 216728014 OWMUUKRLUCDRIF-QFIPXVFZSA-N 348.446 4.584 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6960408 OGPWSLKYVJLQNH-SQGPQFPESA-N 337.394 4.747 10 40 EJCB Cc1ccc(/C=C2\SC(Nc3ccc4ccccc4c3)=NC2=O)o1 35646966 DCBUJUOQTUGQGF-BOPFTXTBSA-N 334.400 4.824 10 40 EJCB C/C(=C/C(=O)O)C(=O)Nc1ccc(/N=N/c2ccccc2C)c(C)c1 27529370 VLLDRGQVZDHJOA-IASGWMFZSA-N 337.379 4.688 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc(Cl)c1 95471532 OIUGHLCITHFEOJ-YBEGLDIGSA-N 346.217 4.712 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 113836707 JOLSMVHQAFFNTB-RVDMUPIBSA-N 329.446 4.558 10 40 EJCB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 1173930 YZDBUPRQFHMBHK-ZROIWOOFSA-N 349.864 4.821 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2F)cc1 408765470 PWGCGTAYBGBLEC-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 409160973 RVKIQDOPJLIWSS-FUHIMQAGSA-N 337.394 4.747 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)c1OC 409161941 XJZKSCFTDZRGTI-FHSNZYRGSA-N 343.373 4.809 10 40 EJCB CCc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 94914 ZAWDYAQQLNNVHP-UHFFFAOYSA-N 325.433 4.785 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 5477866 LLSHODAHOPBGRQ-WQRHYEAKSA-N 347.443 4.569 10 40 EJCB Cc1ccsc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 7165909 GRMMAXKDCQDJQI-JYRVWZFOSA-N 335.450 4.601 10 40 EJCB O=C1CCSC(=S)N1c1ccc(/N=N/c2ccccc2)cc1 17783345 QLLASYMJRNVPSI-ISLYRVAYSA-N 327.434 4.857 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2)SC1=S 35038664 WRHZUTHKOIKDPJ-FOWTUZBSSA-N 325.458 4.655 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 43769619 VNUSINHARRHBKC-IIYDPXPESA-N 325.795 4.865 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 409335418 ZVTIIGKLYZUIGT-XNTDXEJSSA-N 347.436 4.697 10 40 EJCB CN(C)CC/C=C1/c2ccccc2Sc2c(O)cc(Cl)cc21 1000507 LSDJYKNINCJROA-QPEQYQDCSA-N 331.868 4.894 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1)[C@H]1CC=C[C@H]21 6960280 QUYMLFCDTLWEJB-BBTUJRGHSA-N 349.430 4.617 10 40 EJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccccc1 6962171 KVPVNOLNZPNCPK-HXUWFJFHSA-N 333.460 4.791 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 409164947 QAUVFZNXNWQWJO-NJSLBKSFSA-N 335.403 4.528 10 40 EJCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccccc2)cc1 13121715 PEJRHVZLNICCEL-NRFANRHFSA-N 344.414 4.757 10 40 EJCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2F)N1c1ccccc1 408764428 IOIXSGOCATZLHG-HMMYKYKNSA-N 342.373 4.660 10 40 EJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 409166252 CJFOSSLQUHSWDM-CPUCHLNUSA-N 328.318 4.700 10 40 EJCB CCCN[C@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl 1662453 QNOXUKLZMDYKQI-CQSZACIVSA-N 337.722 4.944 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13389360 AFDNYIMLBRXEMD-GPMSIDNRSA-N 336.391 4.738 10 40 EJCB Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1 5023413 ZJQBOCJNMDGEBH-CYBMUJFWSA-N 341.625 4.791 10 40 EJCB biogenic O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\C=C\c1ccco1 13803593 HKIGXRZMVOFIEQ-NQDFZQDQSA-N 330.796 4.572 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4371920 OQMZDIRZHMKGTG-MPGHIAIKSA-N 339.822 4.953 10 40 EJCB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C 4499248 LQCDMYXJDPOSHZ-RGEXLXHISA-N 342.398 4.655 10 40 EJCB CCOc1ccc([C@@H](NC(=O)CC)c2c(O)ccc3ccccc23)cc1 286337 NUGHKZGJNPGVMG-JOCHJYFZSA-N 349.430 4.560 10 40 EJCB Cc1ccc(CN2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 1480098 TUHGFKYTFBYTEF-DHDCSXOGSA-N 345.514 4.766 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)c1OC 8168985 XJZKSCFTDZRGTI-VEVIJQCQSA-N 343.373 4.809 10 40 EJCB CC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 5688927 UNNDGEZMGUHVRC-UHFFFAOYSA-N 332.403 4.549 10 40 EJCB Cc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)s1 19894597 PDGKLZUVOHDQNK-WQLSENKSSA-N 347.233 4.800 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2F)SC1=S 5371740 SXAYXFUVXPBITH-WJDWOHSUSA-N 343.448 4.794 10 40 EJCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N=C3O)c2C)cc1 14011285 GLMSHULJQBPZCX-DHDCSXOGSA-N 328.462 4.732 10 40 EJCB Nc1ccc(/N=N\c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1 4365610 BDFZFGDTHFGWRQ-MJPLYFDISA-N 346.398 4.846 10 40 EJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 409166259 CJFOSSLQUHSWDM-ZQIUZPCESA-N 328.318 4.700 10 40 EJCB Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc4c(c3)OCO4)n2c1 3909824 JJSGJVAONWTPQZ-UHFFFAOYSA-N 347.374 4.683 10 40 EJCB Cc1ccc(C2=C/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 13942824 NXERUTVVICDCBY-XNTDXEJSSA-N 341.204 4.739 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533613 DIJLMMDDURYRSU-ZMZMSIHFSA-N 327.430 4.550 10 40 EJCB Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 44713441 ALQJHOXOLDYSLS-UHFFFAOYSA-N 330.387 4.630 10 40 EJCB CC(=O)c1sc(Nc2ccccc2)c(-c2nc3ccccc3[nH]2)c1N 2585211 LLDYAHLYGVVBJJ-UHFFFAOYSA-N 348.431 4.820 10 40 EJCB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1 94921 KRNNKGGBFBHNPP-UHFFFAOYSA-N 325.795 4.815 10 40 EJCB O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C2CC2)c1)C1CC1 4646932 IXHBGCJZYFNULR-WCWDXBQESA-N 348.406 4.799 10 40 EJCB CCCCN1c2cc(OC)c(CNCCC)cc2C(C)=CC1(C)C 223821290 OKHPKRQRZGMUBG-UHFFFAOYSA-N 330.516 4.997 10 40 EJCB CCOc1ccc2nc3cc(NCc4ccco4)ccc3c(N)c2c1 4819533 PGNWQNJXXLPZEL-UHFFFAOYSA-N 333.391 4.574 10 40 EJCB CNc1ccc(Nc2cccc(C)c2)c2c1C(=O)c1ccccc1C2=O 5389977 GBAJQXFGDKEDBM-UHFFFAOYSA-N 342.398 4.556 10 40 EJCB COc1ccc2c(c1)CCCN2Cc1nc(-c2cccs2)oc1C 22969460 NGUACQMDBYSYJT-UHFFFAOYSA-N 340.448 4.673 10 40 EJCB CCc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 96505037 SPGGLIRSJMWGSG-FOWTUZBSSA-N 325.458 4.655 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 112112757 UODQLHMFMMKPMH-AQTBWJFISA-N 339.826 4.757 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 409172605 DKWMVGCDGBTVIS-LVCYWYKZSA-N 333.431 4.917 10 40 EJCB CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 4123268 GZZUJCMWMPYWNU-UHFFFAOYSA-N 333.480 4.928 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226859499 GPSJOERZBCQZPI-SIFCLUCFSA-N 325.383 4.669 10 40 EJCB CCOc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 14165852 VJPQKAVPYLXHQF-GJYPPUQNSA-N 336.391 4.820 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 6131384 LFCOWLKXFDUELZ-XNTDXEJSSA-N 329.421 4.540 10 40 EJCB Cn1c(-c2ccccc2)cnc1SCc1ccc(-n2cccn2)cc1 8252382 GRPPOISEZZZKRO-UHFFFAOYSA-N 346.459 4.565 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)o1 9188683 WZGNSXDTHOFNAB-DYTQJMLRSA-N 329.446 4.550 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 302467 MMFVALGIYAVNPU-JTDSTZFVSA-N 336.391 4.820 10 40 EJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 5372699 JQGQMSGJOCQTPM-FOWTUZBSSA-N 326.421 4.705 10 40 EJCB Cc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 9188699 DGKPVCVVCCEWQB-MTOJCTJASA-N 339.485 4.957 10 40 EJCB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 224159731 MAFLUJPPONRMCC-SFHVURJKSA-N 336.479 4.785 10 40 EJCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)CC1 2416828 IAFMNEKXCCXSQA-LGMDPLHJSA-N 342.508 4.686 10 40 EJCB CCCCCN1C(=O)/C(=C\Nc2cc(C)cc(C)c2)SC1=S 5021812 OGWZQPWJTHWBTL-RVDMUPIBSA-N 334.510 4.607 10 40 EJCB CC(C)CC1=C/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 3850615 YWSSITDYDZHAEL-UVTDQMKNSA-N 339.347 4.725 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140538 RIIOHIUWEGYOJT-BXWFABGCSA-N 335.403 4.528 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 6630694 FJUWJLUUFQYWSX-NJSLBKSFSA-N 337.394 4.829 10 40 EJCB Cc1cccc(NC2=NC(=O)/C(=C\c3cccc4cccnc34)S2)c1 12756927 MWOIBIWPGIZJIC-SFQUDFHCSA-N 345.427 4.626 10 40 EJCB CC1CCN([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1 21486641 XLFXWWWSADVIOV-LJQANCHMSA-N 338.476 4.823 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C\c2ccccc2F)SC1=S 60512797 SGLPCHLBSJSJKL-XNTDXEJSSA-N 329.421 4.540 10 40 EJCB Cc1ccccc1NCc1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 226241575 UOWCLFHVHJFEFQ-UHFFFAOYSA-N 339.439 4.752 10 40 EJCB Cc1cc2n(n1)[C@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 1430287 QTGBBSHOQWLIRJ-OAQYLSRUSA-N 327.387 4.690 10 40 EJCB C(=C/C=[N+]1\CCCc2ccccc21)\C=C\N1CCCc2ccccc21 3065271 ZXCYBWJROZUAMM-UHFFFAOYSA-N 329.467 4.870 10 40 EJCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1Cl 12462331 MSSKPFLEWKFPNB-ZSOIEALJSA-N 349.864 4.739 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4959500 MMFVALGIYAVNPU-BXWFABGCSA-N 336.391 4.820 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1 6570404 ZNWSUSPOEYXHIP-QGOAFFKASA-N 336.460 4.894 10 40 EJCB Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)c1 10215289 YNCBLTREGCXWAF-DYESRHJHSA-N 346.386 4.536 10 40 EJCB O=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1 222634322 BKHWCLKHYZEMIF-UHFFFAOYSA-N 343.858 4.652 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409164819 OGPWSLKYVJLQNH-MBOZVWFJSA-N 337.394 4.747 10 40 EJCB Oc1c([C@@H](c2ccccc2Cl)N2CCCC2)ccc2cccnc12 5813868 AATWULBPEFPAGD-LJQANCHMSA-N 338.838 4.779 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1)[C@@H]1CC=C[C@@H]21 409155357 QUYMLFCDTLWEJB-DBXWQHBBSA-N 349.430 4.617 10 40 EJCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(Cl)c1 4714577 IVUXSKSZLUOREP-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB CCc1ccc(NCc2ccc(N(CC)CC)c([N+](=O)[O-])c2)cc1 226242195 DKKIGEVDHFNKIH-UHFFFAOYSA-N 327.428 4.616 10 40 EJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)c1 6832195 NPJMDZOTPMZDBS-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@@H]32)cc1 34772940 SJCJJUIWZDKZQA-WFXMLNOXSA-N 333.431 4.917 10 40 EJCB CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 226886481 GQBDQLVVPWRSOP-UWVAXJGDSA-N 336.391 4.820 10 40 EJCB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 1008398 CWQLLVZBAFJREH-ZSRMJVKVSA-N 344.480 4.512 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 5371131 LRTHSIBNOQDEDU-ATVHPVEESA-N 339.485 4.963 10 40 EJCB Oc1c([C@H](c2ccccc2Cl)N2CCCC2)ccc2cccnc12 5813863 AATWULBPEFPAGD-IBGZPJMESA-N 338.838 4.779 10 40 EJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccccc3)cc2)C1 217884331 ZNCVVISNKXVYCO-PDQLOIDKSA-N 348.490 4.814 10 40 EJCB COc1ccc([C@H](NCc2ccc(N(C)C)cc2)c2ccccc2)cc1 13720228 CAOBXCZRMLYAIG-HSZRJFAPSA-N 346.474 4.640 10 40 EJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@H]21 409172368 CYXBYCRGNWHWNE-PSTGCABASA-N 328.318 4.700 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 4151429 CXJRSYDLJFHJRW-BXWFABGCSA-N 336.391 4.738 10 40 EJCB CC(C)N1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32594003 XJZUXHLBAJMBEJ-OQLLNIDSSA-N 347.436 4.695 10 40 EJCB Cc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 59457424 CHHVFCUHYCLIFL-DHDCSXOGSA-N 329.421 4.540 10 40 EJCB CCCCCCN1C(=O)/C(=C/c2sccc2C)SC1=S 2666825 KGFFWLRNTRGTME-RAXLEYEMSA-N 325.524 4.838 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 4959572 OUPOBTJOBQFJHU-QKLQHJQFSA-N 349.430 4.698 10 40 EJCB O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc(Cl)c1 1909644 SGWQQRZNWMZQOS-ZROIWOOFSA-N 331.849 4.746 10 40 EJCB Cc1ccc(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 5968243 NXERUTVVICDCBY-GDNBJRDFSA-N 341.204 4.739 10 40 EJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 19887833 YWWGHMWJSACFCU-DAYGRLMNSA-N 325.795 4.865 10 40 EJCB Cc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)O)c1 536306 FNULBYLXFMRWJU-UHFFFAOYSA-N 337.400 4.674 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 197869 ZNUJLLXTCNTMOF-QKLQHJQFSA-N 337.394 4.829 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cc4ccccc4n3C)S2)cc1 5374360 DVAGFNDCTQHBKX-LDADJPATSA-N 347.443 4.569 10 40 EJCB CC(C)(C)c1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 4603697 RYSGZGRYVBQMSO-VKAVYKQESA-N 342.508 4.830 10 40 EJCB Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5371819 OENCUFXWZIWUGB-GDNBJRDFSA-N 343.448 4.848 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2C)SC1=S 5371127 ACFUEUFNEWJJNY-ATVHPVEESA-N 339.485 4.963 10 40 EJCB N=c1[nH]c(-c2ccccc2)c(/N=N/c2cccc([N+](=O)[O-])c2)s1 18324127 NXNQRDNGFJLCOG-VHEBQXMUSA-N 325.353 4.546 10 40 EJCB O=C1Nc2ccccc2S/C1=C/c1ccc(N2CCCCC2)cc1 409102954 UVMKRYMMZRYDOG-XMHGGMMESA-N 336.460 4.762 10 40 EJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)c1 10215285 YNCBLTREGCXWAF-LAUBAEHRSA-N 346.386 4.536 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13389349 MMFVALGIYAVNPU-GPMSIDNRSA-N 336.391 4.820 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@H]32)cc1 19893950 SJCJJUIWZDKZQA-UEXGIBASSA-N 333.431 4.917 10 40 EJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccccc1Cl 6556664 MUTDIXKKEOTLII-RVDMUPIBSA-N 339.826 4.675 10 40 EJCB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1-c1ccccn1 40040191 FFDPETWTYCGHCY-UHFFFAOYSA-N 347.447 4.751 10 40 EJCB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2C)cc1 7423496 CSLCRAXCEHNXNT-UHFFFAOYSA-N 328.412 4.527 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21 4151424 ZSNZIOLOVSOIRF-TXPKVOOTSA-N 336.391 4.738 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)c2ccccc21 409119595 SYSDNWNTPLWZSZ-SILNSSARSA-N 334.463 4.830 10 40 EJCB Cc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)cc1 559698 IJTWJKXIUHHTMS-DHDCSXOGSA-N 341.204 4.739 10 40 EJCB Cc1cccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)n1 2747021 MVVZVJGMTSSYNJ-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1 27533615 HLJNJDGQQABVOC-UVDQGBRZSA-N 327.430 4.550 10 40 EJCB CCN(Cc1ccc(N(C)C)cc1)Cc1csc(C(C)(C)C)n1 48333324 MEDSEIVZAHLREE-UHFFFAOYSA-N 331.529 4.529 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 222371165 OUPOBTJOBQFJHU-UWVAXJGDSA-N 349.430 4.698 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 4852966 YOIYDNCFRCFMAZ-HWLIBYHHSA-N 340.423 4.804 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 35040330 XBRCKPNAPUSUCB-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB O=C(O)c1cc(/N=N\c2ccc(-c3ccc(O)cc3)cc2)ccc1O 104221636 AUJMZPGZDYABQC-MRCUWXFGSA-N 334.331 4.878 10 40 EJCB CCN1/C(=C/c2sc3cc(C)ccc3[n+]2C)C=Cc2ccccc21 4517508 QBIADKWGBJGZGZ-UHFFFAOYSA-N 333.480 4.928 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1C 6858445 KQNCWILYJKQQDP-LFIBNONCSA-N 325.458 4.709 10 40 EJCB COc1ccc(/N=N/c2c(C)nn(-c3ccc(Cl)cc3)c2O)cc1 100559674 BOTKBBKUJWAASR-FMQUCBEESA-N 342.786 4.964 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 5371166 AMQDTMLHMSXONR-ATVHPVEESA-N 339.485 4.963 10 40 EJCB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@@H]3c2ccccc2O)cc1 16249834 FFBBOHAWGBWISO-GOSISDBHSA-N 347.418 4.658 10 40 EJCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 58850684 DSYVSHQFTVQZJS-IIYDPXPESA-N 327.225 4.671 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccc(C)o4)C(=O)O3)ccc2c1 408722271 GCSJSOLZQJASCR-BOPFTXTBSA-N 332.355 4.731 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 5544842 DYOPKXFYNCISOF-NTEUORMPSA-N 331.487 4.771 10 40 EJCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1O 13914944 AHDMQZJCBHXRIG-MDWZMJQESA-N 347.201 4.505 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S[C@@H]2C)cc1 32597887 WPMZTKXSMVQXJV-JPVKTXQWSA-N 338.476 4.528 10 40 EJCB CC(C)(C)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 35041330 XEKPUTHUENJVMK-RVDMUPIBSA-N 327.474 4.840 10 40 EJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc2ccccc12 95481264 JTECCSQYZCZRAR-ZHZULCJRSA-N 341.414 4.867 10 40 EJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 19887831 YWWGHMWJSACFCU-RKVPGOIHSA-N 325.795 4.865 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1C 4567624 NLBRGQLHUWXHBL-NTEUORMPSA-N 331.487 4.771 10 40 EJCB Cc1ccc(C2=C/C(=C\c3cccc(Br)c3)C(=O)O2)cc1 13940758 IJTWJKXIUHHTMS-OQLLNIDSSA-N 341.204 4.739 10 40 EJCB Cc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644632 DOECATHDPAOLQY-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1ccc(F)cc1 969644 DUMQGMKAAFARJF-LHQXNBGVSA-N 341.432 4.788 10 40 EJCB O=C1c2ccc3ccccc3c2C(=O)[C@@H]1c1nc2ccccc2s1 100564222 WZWXOOYLAWFKRL-QGZVFWFLSA-N 329.380 4.612 10 40 EJCB CN(C)c1ccc(/C=C2\C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1 1665801 DNQCQDKYXIGPBU-DEDYPNTBSA-N 345.442 4.613 10 40 EJCB Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccc(Cl)cc1 104201097 GLPKVCAVKWFEQV-MRCUWXFGSA-N 339.786 4.652 10 40 EJCB COc1ccc2ccc(O)c(CN(C)Cc3sccc3C)c2c1 7734491 LEJJWKHJNUUWKN-UHFFFAOYSA-N 327.449 4.556 10 40 EJCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccccc1 13476472 HHPFUZNJUOKTLM-GXDHUFHOSA-N 331.849 4.746 10 40 EJCB Brc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 409335841 ZABTUDYBBNEFEL-YIYPIFLZSA-N 328.253 4.602 10 40 EJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1cccc(F)c1 1060662 PGPMICQRIXRZPV-MBXCTOFRSA-N 341.432 4.788 10 40 EJCB Cc1cc(-c2csc(N)n2)c(C)n1-c1cccc(C(F)(F)F)c1 3336139 PNJJOEGWHJLWLL-UHFFFAOYSA-N 337.370 4.819 10 40 EJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 6780869 HQCJZIKBHBGIPJ-UHFFFAOYSA-N 346.430 4.532 10 40 EJCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Cc1ccccc1 13534896 KWALEVGWBKCURV-XNTDXEJSSA-N 345.876 4.741 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2)cc1 206612564 BZZZYEMYRBMFRX-XMHGGMMESA-N 344.439 4.891 10 40 EJCB Cc1cccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c1 226241619 LISFDGIOOFOZPQ-INIZCTEOSA-N 339.439 4.894 10 40 EJCB Cc1cccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)n1 2747022 MVVZVJGMTSSYNJ-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB COC(=O)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4481847 LFJQOXLALJZPEQ-FRQCXROJSA-N 339.822 4.953 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6630689 TZUALSPNLVAWEW-TXPKVOOTSA-N 337.394 4.829 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 33744440 WCMULIPDJGIOHP-YWDSYVAPSA-N 346.814 4.764 10 40 EJCB Brc1cccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 7099962 LHLUFZXZKIQPGU-ZUCKAHLUSA-N 327.225 4.671 10 40 EJCB COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)c2ccccc2)cc1 13720225 CAOBXCZRMLYAIG-QHCPKHFHSA-N 346.474 4.640 10 40 EJCB CC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 12553054 UMWLIDQPVCZRSB-UHFFFAOYSA-N 346.430 4.857 10 40 EJCB CCCOc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1 34864730 CQLLFTKSKWTUCH-LGMDPLHJSA-N 338.432 4.558 10 40 EJCB COc1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 2488527 QNQQHSHKNJNFBW-CKFHNAJUSA-N 340.354 4.569 10 40 EJCB Cc1ccc(O)c(C2=NN3[C@H](c4ccco4)Oc4ccccc4[C@H]3C2)c1 245174454 YNCBLTREGCXWAF-UTKZUKDTSA-N 346.386 4.536 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 4140496 VBRJYCWDNLTSKR-LQWHRVPQSA-N 347.414 4.502 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3C=CC[C@@H]32)cc1 253590706 DSCAFSFJLREWCU-LQWHRVPQSA-N 333.431 4.917 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 4140403 JGVZQZYRGOFCJB-HDMKZQKVSA-N 325.795 4.865 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2O)N3)C1 6358810 XCNHIYMDKUQUKY-GTNSWQLSSA-N 342.464 4.706 10 40 EJCB CCc1ccccc1NC1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 27229930 PUILQQOVOLDUKM-WQRHYEAKSA-N 347.443 4.813 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c3c(cccc13)CC2 100517528 HWAQOLRRAATTOT-KGENOOAVSA-N 338.410 4.745 10 40 EJCB Cc1nc(N)sc1/N=N/c1cc(Cl)c([N+](=O)[O-])cc1Cl 16953683 BEOGUAZIXAMUJG-FOCLMDBBSA-N 332.172 4.664 10 40 EJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cccc2ccccc12 15134067 JTECCSQYZCZRAR-XSFVSMFZSA-N 341.414 4.867 10 40 EJCB Oc1c([C@H](Nc2ccccn2)c2ccccc2)ccc2cccnc12 22911742 WHPVVFZPXKODBB-LJQANCHMSA-N 327.387 4.537 10 40 EJCB in-vitro Oc1c([C@H](c2ccc(Cl)cc2)N2CCCC2)ccc2cccnc12 38270 GDIGNVDJSCDPJG-IBGZPJMESA-N 338.838 4.779 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21 5740574 ZSNZIOLOVSOIRF-JTDSTZFVSA-N 336.391 4.738 10 40 EJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C)cc(C)c2)cc1 408941420 DOTHIPIYDOKGBV-UHFFFAOYSA-N 349.430 4.787 10 40 EJCB CC(C)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 2697654 LMRCGCGMPPDKBX-POHAHGRESA-N 332.277 4.603 10 40 EJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 4172110 XXHWDSGFRVUSIG-GJYPPUQNSA-N 337.394 4.829 10 40 EJCB CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CN(C)C)c1 1614160 RTHRKIUDPBOMNO-UXHICEINSA-N 327.468 4.847 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 20749123 RVKNABBAKKJNAF-STXHMFSFSA-N 336.391 4.738 10 40 EJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc2ccccc12 7154827 OWIWVJSIDAWBAD-WQRHYEAKSA-N 348.427 4.571 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 17917542 YEXOYCIZRUADOZ-YVLHZVERSA-N 333.416 4.559 10 40 EJCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc2ccccc12 409326641 CUYSAMCVDXJQBN-WJDWOHSUSA-N 336.441 4.574 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c(C)c1 5542295 QXDMYAYYKQPAGN-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB CCOc1cccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c1O 58440399 UJZUOJJUMYOWHS-NSHDSACASA-N 340.250 4.949 10 40 EJCB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(C)cc2)cc1 59232645 VJSJKXUEJHFWMI-XSFVSMFZSA-N 342.398 4.731 10 40 EJCB CC(C)[C@@H](CCNCc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 2217282 HYNATLFUYZERMY-TZIWHRDSSA-N 346.559 4.710 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 409155763 MTPQERVECBDYPT-PEBVRCNWSA-N 345.215 4.810 10 40 EJCB Cc1ccc2sc(/C=C/c3ccc(N4CCOCC4)cc3)nc2c1 7586760 AXXRMLUDXTVQNE-WEVVVXLNSA-N 336.460 4.612 10 40 EJCB Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15016175 FKUCTQLWKBYBAP-UZLBHIALSA-N 348.427 4.696 10 40 EJCB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(N2CCCCC2)cc1 96662905 UVSVWVMPKBNUAV-PDGQHHTCSA-N 338.838 4.823 10 40 EJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 105833236 YWWGHMWJSACFCU-VKJFTORMSA-N 325.795 4.865 10 40 EJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccccc1 2317936 WCBKYYCRHUGPKH-UVTDQMKNSA-N 331.849 4.746 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1C 5852907 UKTZFFZBUXJNJZ-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 6960259 RVKIQDOPJLIWSS-ABSDTBQOSA-N 337.394 4.747 10 40 EJCB COc1ccc2ccc(O)c(CN3CCC[C@H]3c3cccs3)c2c1 8230187 XSUILUGUNUPERI-SFHVURJKSA-N 339.460 4.953 10 40 EJCB Oc1ccccc1[C@@H]1CC(c2ccccc2)=N[C@@H](c2ccccc2)N1 80325007 QLLGQVLIHCCTLM-RBBKRZOGSA-N 328.415 4.615 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6132163 XMYPSMYLLBJLPB-XNTDXEJSSA-N 329.421 4.540 10 40 EJCB CSc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 58850729 ODCWAVKDWFEFMU-GJYPPUQNSA-N 337.444 4.933 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1Cl 4672841 BIMRKUITYMXWSD-JYRVWZFOSA-N 335.837 4.647 10 40 EJCB Cc1cc(C)cc(N/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 102581267 YGNSTFMOUPHJPQ-WJDWOHSUSA-N 346.521 4.750 10 40 EJCB Oc1ccc2ccccc2c1CNc1ccc(Br)cc1 502124 OIYPMGJFMGVYMC-UHFFFAOYSA-N 328.209 4.920 10 40 EJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 5593018 UIKKXSCDOUHLKV-PDGQHHTCSA-N 340.810 4.545 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c1 6963603 YNAVHNDWYXPCMH-QKLQHJQFSA-N 336.391 4.738 10 40 EJCB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225692851 PMYQRSNJADVBNP-INIZCTEOSA-N 339.508 4.643 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(F)cc2)c1 408753125 HXSKURLGZQJFBT-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 33744442 WCMULIPDJGIOHP-LGSVPQMISA-N 346.814 4.764 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1 5371153 YZKPLEPDKQIQDT-ATVHPVEESA-N 339.485 4.963 10 40 EJCB CN(C)CC/C=C1/c2ccc(O)cc2Sc2ccc(Cl)cc21 33984120 WHGUGQZTJWCKGG-CPSFFCFKSA-N 331.868 4.894 10 40 EJCB CCN(CC)c1ccc(CNc2cc(C)ccc2C)cc1[N+](=O)[O-] 226242181 AOPGVZDZDGOUIC-UHFFFAOYSA-N 327.428 4.670 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1C 6173816 UMCKZDPJMGCHSZ-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 6960315 NVWDPPHHLMCBSB-AVYPCKFXSA-N 337.394 4.747 10 40 EJCB CCOC(=O)c1sc2nc3c(cc2c1N)[C@H](C)CC[C@@H]3C(C)C 6392466 TVHMBCNJVKIENZ-GHMZBOCLSA-N 332.469 4.692 10 40 EJCB COc1ccc(OC)c(-c2csc(-c3ccc(N(C)C)cc3)n2)c1 8042124 COWRIORSHZADJP-UHFFFAOYSA-N 340.448 4.560 10 40 EJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4140442 XXHWDSGFRVUSIG-BXWFABGCSA-N 337.394 4.829 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(C)ccc2O)N3)C1 4545420 BNGLTGSVLDPXTP-PIGZYNQJSA-N 342.464 4.706 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 13389357 AFDNYIMLBRXEMD-JTDSTZFVSA-N 336.391 4.738 10 40 EJCB COc1cc(NCc2c(O)ccc3ccccc23)c2ncccc2c1 1717580 WJCZJAXEMGPRPE-UHFFFAOYSA-N 330.387 4.714 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 4151422 ZSNZIOLOVSOIRF-FRQCXROJSA-N 336.391 4.738 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 20692015 ONWFKJYPEBNDEJ-ZRGWGRIASA-N 336.391 4.738 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(C)c2O)N3)C1 8198723 SOPWVMWKNSTHJM-GTNSWQLSSA-N 342.464 4.706 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 302469 AFDNYIMLBRXEMD-GJYPPUQNSA-N 336.391 4.738 10 40 EJCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccccc1 13476486 SFAYDEMUHBPURL-GXDHUFHOSA-N 331.849 4.746 10 40 EJCB Cc1ccc(NCc2cc(Br)ccc2O)cc1Cl 76275370 WJPBRHOPIZMHJS-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB CC(C)CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)c2ccccc21 409120834 UZYFCBNICAUMRO-QNGOZBTKSA-N 346.474 4.830 10 40 EJCB Brc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 409335840 ZABTUDYBBNEFEL-RFQIPJPRSA-N 328.253 4.602 10 40 EJCB Cc1ccccc1NCc1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 226241547 IHDPOELIKZLGFY-INIZCTEOSA-N 339.439 4.894 10 40 EJCB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)o1 3909779 UJQCHRKCYUOYKK-UHFFFAOYSA-N 347.374 4.683 10 40 EJCB O=C(CSc1ncccn1)Nc1ccc(/N=N/c2ccccc2)cc1 5559319 VALJYAFSLPYOSU-GHVJWSGMSA-N 349.419 4.623 10 40 EJCB CC(C)CC1=C/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1 3850617 LLFOKQOKEPZRAL-UVTDQMKNSA-N 339.347 4.725 10 40 EJCB COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc12 408903443 XZSURRKEIDXGHE-XSFVSMFZSA-N 342.398 4.655 10 40 EJCB CCOC(=O)c1sc2nc3c(cc2c1N)[C@@H](C)CC[C@@H]3C(C)C 6392456 TVHMBCNJVKIENZ-WDEREUQCSA-N 332.469 4.692 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)cc1 8337849 AHMGBIHOWVVJKE-LFIBNONCSA-N 342.851 4.985 10 40 EJCB CCN(CC)c1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1 66335588 IMULHVTVIPCJHM-NTCAYCPXSA-N 325.433 4.576 10 40 EJCB COc1ccc2cc(C3=C/C(=C/c4ccc(O)cc4)C(=O)O3)ccc2c1 408723506 VVTBEOITPJODKZ-ZDLGFXPLSA-N 344.366 4.535 10 40 EJCB CCc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 33314175 KUXBOIBIIRZVFA-ATVHPVEESA-N 339.485 4.963 10 40 EJCB C[C@@H](NC(=S)Nc1ccccc1)c1ccc(N2CCCCC2)cc1 225662305 ZQYGYQSSHYANGR-MRXNPFEDSA-N 339.508 4.725 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409163554 TZUALSPNLVAWEW-GPMSIDNRSA-N 337.394 4.829 10 40 EJCB Cc1cc(Cl)ccc1NCc1cc(Br)ccc1O 44836237 AYQWOSRPMFPOSF-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB CCN(CC)c1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 223220316 YNISGXPYSQZSMZ-UHFFFAOYSA-N 338.495 4.760 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 6935763 RMUOVZKHXFFEFZ-KSMMKXTCSA-N 336.391 4.820 10 40 EJCB COc1ccc(C)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 13389362 AFDNYIMLBRXEMD-FRQCXROJSA-N 336.391 4.738 10 40 EJCB Cc1cccc(N2C(=O)S[C@H](Nc3cccc4ccccc34)C2=O)c1 1318037 USOJZOXJTMSULC-SFHVURJKSA-N 348.427 4.786 10 40 EJCB Cc1cc(C)c(C(=O)c2sc3nc(C)cc(C)c3c2O)c(C)c1 2692947 HWXVAPYBFNXYMM-UHFFFAOYSA-N 325.433 4.775 10 40 EJCB Brc1cccc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 4623300 IFRQHBFWQRFPTC-DVOMOZLQSA-N 327.225 4.671 10 40 EJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1cccc(Cl)c1 6556661 FRFOZPUIXWJFLN-GZTJUZNOSA-N 339.826 4.675 10 40 EJCB CC(C)c1nc2cc(NC(=O)/C=C/c3ccc(N(C)C)cc3)ccc2o1 33217455 DZQRGUNJEHWOOQ-KPKJPENVSA-N 349.434 4.669 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 4729770 ZBFRFAIYXJZKEC-PGMHBOJBSA-N 338.410 4.830 10 40 EJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(C)s3)S2)c1 6831637 TXDIZUUVQZFMCA-DHDCSXOGSA-N 328.462 4.756 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc1 36082025 NXWDQTAEQLPCIL-LQWHRVPQSA-N 333.431 4.917 10 40 EJCB CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4045751 XGFMWJAYWCXIGY-ZWOKBUDYSA-N 334.375 4.624 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2F)c1 408760990 BLGBTMCXNPYUFP-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 6963629 RVKNABBAKKJNAF-BXTJHSDWSA-N 336.391 4.738 10 40 EJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)c(C)c1 35647245 QCPDQTAOEWKFFX-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB CCOc1ccccc1-c1noc(-c2sc3ccccc3c2O)n1 12800339 PBIXAXBEGHKUAY-UHFFFAOYSA-N 338.388 4.723 10 40 EJCB Cc1ccccc1NCc1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 226241556 IHDPOELIKZLGFY-MRXNPFEDSA-N 339.439 4.894 10 40 EJCB Cc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 408723661 ZECMXTXMMPDLGE-GDNBJRDFSA-N 341.204 4.739 10 40 EJCB CC(C)(C)OC(=O)c1sc2nc(-c3cccs3)ccc2c1N 495776 IYKBXPBDAZGHQJ-UHFFFAOYSA-N 332.450 4.562 10 40 EJCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)cc1Cl 1063105 MSSKPFLEWKFPNB-RIYZIHGNSA-N 349.864 4.739 10 40 EJCB CC(C)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2321391 BLVQCGXCPDQZNF-WDZFZDKYSA-N 332.277 4.603 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 13402410 FYRNGNXEXDIYMC-VFVRVIDISA-N 340.354 4.569 10 40 EJCB COc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)C(C)C)cc1 2222980 XVLBXHWDTSNNHH-QFIPXVFZSA-N 340.511 4.681 10 40 EJCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1F 4426180 YMWCMEARQFKKKI-ZROIWOOFSA-N 332.787 4.562 10 40 EJCB COc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 298582 IXTWOEQMFDHCBF-AQTBWJFISA-N 328.367 4.830 10 40 EJCB CCc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 6944873 ZUAPDWHXHORBBK-YFVAEKQCSA-N 333.431 4.862 10 40 EJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(F)c1 16399149 PIZIUUUCXYNEAY-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1C(C)C 96499224 LOZUNRCXGSZLAY-DEDYPNTBSA-N 348.446 4.933 10 40 EJCB O=C1[C@H](/N=N\c2ccc(Cl)cc2)Sc2nc3ccccc3n21 104240661 WJMJBJYYGBQKEH-LTFJSZEESA-N 328.784 4.546 10 40 EJCB Oc1ccccc1C1=NN2[C@H](c3ccsc3)Oc3ccccc3[C@H]2C1 6721626 DMZGLMPCGZCRAS-XLIONFOSSA-N 348.427 4.696 10 40 EJCB COc1ccc(CN(C)Cc2cc(C(C)C)c(C)cc2O)cc1F 12800707 KAZMJCPUTSBAEP-UHFFFAOYSA-N 331.431 4.604 10 40 EJCB COC(=O)c1sccc1NNc1c2ccccc2nc2ccccc12 3909542 QXPQVSIWDVOPNA-UHFFFAOYSA-N 349.415 4.675 10 40 EJCB Nc1nc(-c2ccccc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 4734153 YNYVOXXIXHFGKT-VHEBQXMUSA-N 325.353 4.716 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1190291 LKNREEINIRIZAN-IEMQHYRPSA-N 343.448 4.788 10 40 EJCB COc1ccc(/N=N\N=c2/sc3cc(Cl)ccc3n2C)cc1 104265268 MEPPQPVWKILUKS-CVCNAQRLSA-N 332.816 4.501 10 40 EJCB Oc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1O 12805399 FMWIGBOMYPWSTO-UHFFFAOYSA-N 348.221 4.651 10 40 EJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)NC3CCCCC3)cc2)C1 260802963 UAXXDFNHLBFJON-DLBZAZTESA-N 343.515 4.616 10 40 EJCB COc1cccc([C@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@@H]32)c1 4123721 QQIBRIWAXMDLCH-ABSDTBQOSA-N 335.403 4.528 10 40 EJCB CC(/C=C1\SC(=S)N(C2CCCC2)C1=O)=C\c1ccccc1 4745834 AJANDBWAKFPITG-DXHZZVMKSA-N 329.490 4.777 10 40 EJCB COc1ccc(/N=N\N=c2\sc3cc(Cl)ccc3n2C)cc1 17174688 MEPPQPVWKILUKS-OAEQQSCFSA-N 332.816 4.501 10 40 EJCB Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccccc2)c1 408757900 DOJCDZZNAQRMTR-LTGZKZEYSA-N 338.410 4.830 10 40 EJCB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 3392653 YDFFMKFXQBHWSU-VBKFSLOCSA-N 325.458 4.575 10 40 EJCB COc1ccccc1/C=C1/C=C(c2cccc3ccccc23)OC1=O 408722884 NZOHNNSXXAEJER-LGMDPLHJSA-N 328.367 4.830 10 40 EJCB CCOc1ccc(C2=C/C(=C\c3c[nH]c4ccccc34)C(=O)O2)cc1 408754723 HGXSOFGFJMFEID-RVDMUPIBSA-N 331.371 4.548 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 16160988 IJAFNMSOIWPSED-DHDCSXOGSA-N 331.202 4.800 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 5371612 BEUYSJRAZHKNJB-NTEUORMPSA-N 331.487 4.771 10 40 EJCB Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1ccc(F)c(F)c1 65847008 HDQCSEDUQUAWDL-UHFFFAOYSA-N 346.402 4.710 10 40 EJCB Cc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 226241641 SAZUKZFMDLDNMW-INIZCTEOSA-N 339.439 4.894 10 40 EJCB CCCCc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 44826955 OPLDSOWNLKCZHB-HMMYKYKNSA-N 333.435 4.748 10 40 EJCB O=C1N=C(Nc2ccccc2)S/C1=C/C(Cl)=C\c1ccccc1 96300846 YTMGYPNGOLCEIO-MHMBTURYSA-N 340.835 4.892 10 40 EJCB CCN(CCCNC(=S)Nc1cccc(C)c1)c1ccc(C)cc1 225732476 GBCZOVWINMMZQL-UHFFFAOYSA-N 341.524 4.506 10 40 EJCB COc1ccccc1/N=N/c1c(C)nn(-c2ccc(Cl)cc2)c1O 4503310 FKSCPRQUUKFLFV-FMQUCBEESA-N 342.786 4.964 10 40 EJCB Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c(C)s1 7674242 GKPHKTSOGJLAMB-UHFFFAOYSA-N 342.489 4.740 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 20754220 MIHQYZHTDRMDAY-HBUWYVDXSA-N 340.354 4.569 10 40 EJCB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)c1OC 409151937 CSWPWTAKPOLUDQ-PJIJBLCYSA-N 325.383 4.669 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 4151345 SGLREXUOWRQEEN-CKFHNAJUSA-N 336.391 4.738 10 40 EJCB CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CN(C)C)c1 1614159 RTHRKIUDPBOMNO-PMACEKPBSA-N 327.468 4.847 10 40 EJCB CCn1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408967415 VSEPXMYYSCFBEP-LFIBNONCSA-N 342.489 4.531 10 40 EJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 1187951 HYPDCRMWQZTXFP-ZROIWOOFSA-N 349.839 4.885 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@H]3C=CC[C@H]32)cc1 4140495 XNBLUTHRXBHSOM-QKLQHJQFSA-N 349.430 4.617 10 40 EJCB CCCN(Cc1ccccc1O)C(=O)Nc1cccc([C@@H](C)OC)c1 70040443 CMCVFXYCRJPDEP-OAHLLOKOSA-N 342.439 4.544 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 13547372 ODFBGHHBEPJBRH-ZSOIEALJSA-N 349.864 4.956 10 40 EJCB CC(C)Oc1ccccc1/C=C1\SC(Nc2ccccc2)=NC1=O 32789136 LCNKHSXJACQUIG-ATVHPVEESA-N 338.432 4.556 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 1060040 SGLREXUOWRQEEN-BIENJYKASA-N 336.391 4.738 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 3999521 BJFQJSHIKCEXET-MPGHIAIKSA-N 325.795 4.865 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 6966416 DKWMVGCDGBTVIS-WAOWUJCRSA-N 333.431 4.917 10 40 EJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)c1 409152969 KLTGWMBTXGHWNG-ZQIUZPCESA-N 328.318 4.700 10 40 EJCB Cc1ccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 226241680 YOKSWHOWJYDHMS-UHFFFAOYSA-N 339.439 4.752 10 40 EJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1O 408965038 FZBVHVBDGUIKMN-UHFFFAOYSA-N 328.209 4.921 10 40 EJCB CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 13547845 JIBIQDOFMAGNKM-VBKFSLOCSA-N 347.505 4.619 10 40 EJCB Oc1ccc(Br)cc1CNc1cc(F)ccc1Cl 44836220 DLPINVJCAQOVJO-UHFFFAOYSA-N 330.584 4.559 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4313631 FYRNGNXEXDIYMC-LXIYXOSZSA-N 340.354 4.569 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6952932 HBFGOLHTXVWRGF-PMUMKWKESA-N 340.354 4.569 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@H]32)cc1 4151351 XXPNVELGKOEDDE-UEXGIBASSA-N 333.431 4.917 10 40 EJCB Cc1ccc(C2=C/C(=C/c3c(O)ccc4ccccc34)C(=O)O2)cc1 62713 VFJFKXOHOVVBGO-ATVHPVEESA-N 328.367 4.835 10 40 EJCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C/C=C/c1ccco1 4745943 OEYCJZPQLSTHJG-BOAPOFAJSA-N 330.796 4.572 10 40 EJCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72216751 NFLPKUXPNHBONZ-NRFANRHFSA-N 331.463 4.826 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 226853251 HZVZATWGHAUUHV-SIFCLUCFSA-N 336.391 4.820 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 409161451 XKNUUIJJHFODFO-BWACUDIHSA-N 325.795 4.865 10 40 EJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC1CCCCCC1 12410849 OCKYZZPYLYELHG-JXAWBTAJSA-N 343.446 4.525 10 40 EJCB CN(C)c1ccc(C(=Cc2ccccn2)c2ccc(N(C)C)cc2)cc1 4522954 JICRZNOMVKEYNN-UHFFFAOYSA-N 343.474 4.803 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 6301162 WMBVFCYPOLGNFK-WQRHYEAKSA-N 339.826 4.675 10 40 EJCB O=C1/C(=C\c2ccsc2)SC(=S)N1c1cccc(Cl)c1 4482052 KGBLNZKVDRQTDP-WUXMJOGZSA-N 337.878 4.807 10 40 EJCB CC(C)(C)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 5371920 LHTAQPUGZZMZIP-XFFZJAGNSA-N 346.304 4.993 10 40 EJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4140444 XXHWDSGFRVUSIG-FCEWJHQRSA-N 337.394 4.829 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 35038697 LRTHSIBNOQDEDU-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(ccc(C(=O)O)c2C)[C@@H]2C=CC[C@@H]21 408838647 YYPZZUCPEPPKCQ-QEEYODRMSA-N 335.403 4.528 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@H]21 409170107 UAVSZHDACVUPQD-SNUQEOBHSA-N 325.795 4.865 10 40 EJCB COc1cccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1O 408721930 BLAYHGRWMKOCEE-VBKFSLOCSA-N 344.366 4.535 10 40 EJCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4363095 QANXFPQTUXYGOT-KEYYUXOJSA-N 325.795 4.865 10 40 EJCB Oc1cc2c(cc1O)[C@H](c1c3ccccc3cc3ccccc13)NCC2 4724961 OHZABFMFUVICJD-HSZRJFAPSA-N 341.410 4.639 10 40 EJCB CCc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 6542784 SPGGLIRSJMWGSG-VBKFSLOCSA-N 325.458 4.655 10 40 EJCB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1 409017792 PPEKDSHQDHLQGQ-BOPFTXTBSA-N 340.448 4.539 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 5371826 ZBCFMBRMEIBICU-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB CCOc1ccccc1N1C(=O)/C(=C\c2cccs2)SC1=S 5544858 FHQSITBMACUAPI-GXDHUFHOSA-N 347.486 4.553 10 40 EJCB CN(C)Cc1cc(/N=N\c2ccccc2Cl)cc(CN(C)C)c1O 104312732 NGJVZHSVHYZXGL-MRCUWXFGSA-N 346.862 4.584 10 40 EJCB COc1cccc([C@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@H]32)c1 4123723 QQIBRIWAXMDLCH-SQGPQFPESA-N 335.403 4.528 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 35040402 ZBCFMBRMEIBICU-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(F)cc1 100026484 DOSCHBOKTNXGCL-RIYZIHGNSA-N 349.192 4.939 10 40 EJCB O=C1c2cccc3cccc(c23)N1Cc1c(O)ccc2ccccc12 125974 IIIJYCCVKOALSP-UHFFFAOYSA-N 325.367 4.859 10 40 EJCB Cc1c(/N=N\c2cccc(F)c2)c(-c2ccccc2)nn1C(N)=S 17129824 WUPFGFANPZOQEG-MRCUWXFGSA-N 339.399 4.505 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 35040316 RGPLVACFFWFEPR-LFIBNONCSA-N 343.448 4.794 10 40 EJCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(Cl)cc1 12492096 XNWVBJWCUNWBIX-NQDFZQDQSA-N 347.848 4.895 10 40 EJCB Cc1ccsc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 33774833 HLEJFWRTECHQQB-JYRVWZFOSA-N 335.450 4.601 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(C(C)(C)C)c1C 408963814 PLIQXCYDHYVTSD-UYRXBGFRSA-N 335.451 4.666 10 40 EJCB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=S)N1c1ccccc1 2711554 LQIOPVBSJJISCG-UVTDQMKNSA-N 342.401 4.637 10 40 EJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccccc3F)S2)c1 35647250 NGFYWUZNDMTCMC-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB Cc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912896 PFMAUOZQGRZCSA-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(C)C 408601980 MQGFYAKFPBVMSW-UYRXBGFRSA-N 334.419 4.528 10 40 EJCB COc1cccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)c1O 408722064 CUXWIBWGUNUWIR-PDGQHHTCSA-N 344.366 4.535 10 40 EJCB CCOc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1 100057605 MMSWFNSMMUDNQO-WCWDXBQESA-N 333.395 4.848 10 40 EJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(O)c1 137968475 BQILKCMGUQCIHI-UHFFFAOYSA-N 328.209 4.921 10 40 EJCB Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 223326502 VAIJXCHZGOGBHV-SFHVURJKSA-N 336.479 4.785 10 40 EJCB Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccs1 102907253 SUEDMBTZTFQXGD-OXQOHEQNSA-N 348.427 4.696 10 40 EJCB CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4045753 XGFMWJAYWCXIGY-QKLQHJQFSA-N 334.375 4.624 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4140540 RIIOHIUWEGYOJT-FCEWJHQRSA-N 335.403 4.528 10 40 EJCB Oc1ccc2ccccc2c1CNCc1c(O)ccc2ccccc12 1681095 PPIUVDVYBJTRBO-UHFFFAOYSA-N 329.399 4.694 10 40 EJCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccccc1 101114469 UOHGRWLGYAWDSP-XMHGGMMESA-N 327.387 4.558 10 40 EJCB Cc1ccc(C)c(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)c1 408732949 BOZOCTDYHMDFQZ-UHFFFAOYSA-N 340.422 4.863 10 40 EJCB O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccs1 17887072 JAUFKYYTQOZKRW-ISLYRVAYSA-N 343.433 4.964 10 40 EJCB Cc1ccc2cc(C3=C/C(=C/c4ccc(N(C)C)o4)C(=O)O3)ccc2c1 408757192 VPRNYKWWOGUJFW-PDGQHHTCSA-N 345.398 4.789 10 40 EJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)c(C)c1 6780865 VEJCYMWWWOARLO-UHFFFAOYSA-N 346.430 4.532 10 40 EJCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 409054719 WBHJYBZVVZYGRI-GHRIWEEISA-N 337.394 4.653 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 15218414 IVWNHJKZDBXOMY-BFQNTYOBSA-N 342.782 4.780 10 40 EJCB Cc1ccc(/N=N/c2c(N)nn3cc4c(nc23)-c2ccccc2C4)cc1 16958970 UFEDBTVNFKBFQR-WCWDXBQESA-N 340.390 4.607 10 40 EJCB CCc1ccc(-n2ccc([C@H]3OCCN3c3ccc(OC)cc3)c2)cc1 216727715 DYUJECQFPZBMSL-JOCHJYFZSA-N 348.446 4.584 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 302477 SKNIDMSHTWWSCS-SIFCLUCFSA-N 336.391 4.738 10 40 EJCB CCOC(=O)c1sc2nc3c(cc2c1N)[C@@H](C)CC[C@H]3C(C)C 6392437 TVHMBCNJVKIENZ-QWRGUYRKSA-N 332.469 4.692 10 40 EJCB CCc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 6901865 FVJGWVDHOLEQMM-UHFFFAOYSA-N 341.410 4.636 10 40 EJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccccc1 6962181 KVPVNOLNZPNCPK-FQEVSTJZSA-N 333.460 4.791 10 40 EJCB Oc1c([C@H](Nc2ccc(F)cc2)c2ccncc2)ccc2cccnc12 86426 DTMQMKIJNNLQNC-LJQANCHMSA-N 345.377 4.676 10 40 EJCB COc1ccc([C@H]2CCCN2Cc2c(O)ccc3ccccc23)cc1 16359739 XOIPTCAGDHENIA-OAQYLSRUSA-N 333.431 4.891 10 40 EJCB CCOc1cccc(CN[C@H](C)c2ccc(Cl)cc2Cl)c1O 58441063 NXSKKMDBXNGWAN-LLVKDONJSA-N 340.250 4.949 10 40 EJCB O=C1c2ccccc2C(=O)c2c1ccc1sc(-c3ccccc3)nc21 3845270 LFASGIDNDIWBCO-UHFFFAOYSA-N 341.391 4.739 10 40 EJCB biogenic O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 4044853 HYMCVDDWZHBQOW-ZJNRKIDTSA-N 325.795 4.865 10 40 EJCB CCc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 35040354 RMBYMLWZYAFAKI-LFIBNONCSA-N 343.448 4.794 10 40 EJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 111442426 BJFQJSHIKCEXET-IIDMSEBBSA-N 325.795 4.865 10 40 EJCB biogenic Nc1ccc(CC(=O)OCc2c3ccccc3cc3ccccc23)cc1 216870025 ICIAZMSGYDOGKH-UHFFFAOYSA-N 341.410 4.861 10 40 EJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2)N1c1ccccc1 408759009 WLKWLZXVDXZSON-HMMYKYKNSA-N 342.373 4.660 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 20692018 ONWFKJYPEBNDEJ-SPYBWZPUSA-N 336.391 4.738 10 40 EJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 409369442 BUQUPJLTQMEVTO-GJYPPUQNSA-N 338.838 4.526 10 40 EJCB Nc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc(Cl)cc1Cl 100816293 TZVQFKVUKMPPGW-QZQOTICOSA-N 347.209 4.759 10 40 EJCB Cc1ccc(NCc2c(O)ccc3c2oc(=O)c2ccccc23)cc1F 6662791 KVDCPUREYDQKCL-UHFFFAOYSA-N 349.361 4.711 10 40 EJCB CCc1ccccc1N/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 32287075 LHNMBTSVCUNGSU-UYRXBGFRSA-N 333.435 4.584 10 40 EJCB Nc1nn2cc3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCCC3 16958960 UJPMKHGEWJREJW-QURGRASLSA-N 340.818 4.649 10 40 EJCB Cc1cc(C)c(O)c(C2=NN[C@H](c3c(Cl)cccc3Cl)C2)c1 4423335 LJUDXXVVXZOTRX-HNNXBMFYSA-N 335.234 4.755 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1 15134522 MCXGEOLQSUATLH-YBEGLDIGSA-N 346.217 4.712 10 40 EJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112111553 CSDLHAXNZOZNJA-SILNSSARSA-N 333.435 4.884 10 40 EJCB Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)n1CC(C)C 6608003 GKNIRZLXCHSPHB-IUXPMGMMSA-N 328.843 4.907 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccc(Br)c1 88861 MLRSSPMWUHOIJH-JYRVWZFOSA-N 345.167 4.570 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 6966420 ONWFKJYPEBNDEJ-YZVOILCLSA-N 336.391 4.738 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 20754216 MIHQYZHTDRMDAY-QWQRMKEZSA-N 340.354 4.569 10 40 EJCB Cc1cc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)cc1C 22340335 FJTXKOQQLUXGEN-UHFFFAOYSA-N 336.435 4.530 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21 4199892 ZSNZIOLOVSOIRF-GJYPPUQNSA-N 336.391 4.738 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 7099936 MTPQERVECBDYPT-JKDFXYPNSA-N 345.215 4.810 10 40 EJCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1ccc(F)cc1 408759968 PDYQUIZOPJMCBL-QGOAFFKASA-N 348.402 4.722 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 409150551 CFFOBJXGBOUXOS-GUXCAODWSA-N 337.394 4.747 10 40 EJCB Oc1c(CN2CCC[C@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 8392578 XBTNJFMNSLNQLH-LBPRGKRZSA-N 343.776 4.973 10 40 EJCB CCCN(Cc1ccccc1O)C(=O)Nc1cccc([C@H](C)OC)c1 70040444 CMCVFXYCRJPDEP-HNNXBMFYSA-N 342.439 4.544 10 40 EJCB COc1cc(/N=N/c2ccc(Cl)c(Cl)c2)cc(CO)c1O 70462742 BTKHWGIMYIBSKW-ISLYRVAYSA-N 327.167 4.615 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4172103 QNQQHSHKNJNFBW-TYILLQQXSA-N 340.354 4.569 10 40 EJCB CCc1nn2c(c1-c1ccccc1)N=C(C)C[C@H]2c1ccccc1O 16161139 RJCKOJMXYOHFQA-SFHVURJKSA-N 331.419 4.904 10 40 EJCB Cc1cc(C)c(O)c(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)c1 4423331 MTXRJDKWNCIXGC-OAHLLOKOSA-N 335.234 4.755 10 40 EJCB Brc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 20750847 YGOZJLHOLQQZEC-DVOMOZLQSA-N 327.225 4.671 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 5393830 XJJHLNYUTXOIBZ-MDZRGWNJSA-N 339.822 4.953 10 40 EJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1 112114255 LEZGPWPNMKYCHO-HKWRFOASSA-N 349.434 4.584 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4140441 XXHWDSGFRVUSIG-TXPKVOOTSA-N 337.394 4.829 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6935430 HZVZATWGHAUUHV-QEEYODRMSA-N 336.391 4.820 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409175624 TWTBOXWJVMSHSK-SXGZJXTBSA-N 335.403 4.610 10 40 EJCB CCCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S 2706853 COYNEFCIAPOXNT-SSZFMOIBSA-N 348.537 4.534 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C/c2sccc2C)SC1=S 9188462 JIWFKIGJAIAGAN-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB C[C@@H](c1ccccc1O)N(C)Cc1csc(-c2ccccc2F)n1 89909756 KVTWOQVWJLYOHE-ZDUSSCGKSA-N 342.439 4.848 10 40 EJCB CCN(CC)c1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 226268866 OXBFBOHLEMTNII-UHFFFAOYSA-N 325.368 4.558 10 40 EJCB Cc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1C 3642538 PYTMVADGYVWITM-UHFFFAOYSA-N 345.402 4.723 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 409150554 CFFOBJXGBOUXOS-JXXFODFXSA-N 337.394 4.747 10 40 EJCB Oc1c([C@@H](c2ccc(Cl)cc2)N2CCCC2)ccc2cccnc12 38269 GDIGNVDJSCDPJG-LJQANCHMSA-N 338.838 4.779 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 6844395 BEUYSJRAZHKNJB-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB Cc1cccc(N2CCN(Cc3c(O)ccc4ccccc34)C[C@H]2C)c1 12547048 QYWCDPIJNLVKNP-GOSISDBHSA-N 346.474 4.565 10 40 EJCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4959544 ILAAWHTXDIGTIR-QKLQHJQFSA-N 336.391 4.820 10 40 EJCB O=C(C(=S)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1559397 SYUMVPPNJMCGFD-UHFFFAOYSA-N 345.467 4.634 10 40 EJCB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccsc1 6721625 DMZGLMPCGZCRAS-PXNSSMCTSA-N 348.427 4.696 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@@H]2C=CC[C@H]21 409164949 QBCIAKXOAHUEAB-ARGWCVDVSA-N 335.403 4.528 10 40 EJCB O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(Cl)cc1 1086540 HQVQKKXNCMMATE-UVTDQMKNSA-N 331.849 4.746 10 40 EJCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1 973976 NHAXYTWIOUIZSC-YBEGLDIGSA-N 336.441 4.574 10 40 EJCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(Cl)cc1 2452914 XNWVBJWCUNWBIX-GSPDUGTFSA-N 347.848 4.895 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 6966412 ONWFKJYPEBNDEJ-QMTMVMCOSA-N 336.391 4.738 10 40 EJCB CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 408736265 OOXSDTFCMZYCQG-UWVAXJGDSA-N 335.403 4.610 10 40 EJCB Cc1cc(Cl)cc(CN(C)Cc2cc(Cl)cc(C)c2O)c1O 1679481 DBBYXNQYGOLGJV-UHFFFAOYSA-N 340.250 4.653 10 40 EJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1 112111785 YUXHDGIPRRKULU-RGEXLXHISA-N 337.398 4.715 10 40 EJCB Oc1c([C@@H](Nc2nccs2)c2ccccc2)ccc2cccnc12 86125 NQYFDGQDVDDGGJ-INIZCTEOSA-N 333.416 4.598 10 40 EJCB Nc1ccc(Oc2ccc(Br)cc2Br)cc1 3161157 WJQKXOPJPUQOLX-UHFFFAOYSA-N 343.018 4.586 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1OC 8169003 VDVRSWYDWHYIFQ-ZJNRKIDTSA-N 325.383 4.669 10 40 EJCB CCCCC(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 105628599 FCCAJUFXTUMHSB-LJQANCHMSA-N 334.415 4.615 10 40 EJCB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 408948918 QAHIJBUJJCQAAS-UHFFFAOYSA-N 343.785 4.954 10 40 EJCB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6251966 KIMWWSKAIJIRMR-JOTDFLBESA-N 349.390 4.708 10 40 EJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]21 409161453 XKNUUIJJHFODFO-PSTGCABASA-N 325.795 4.865 10 40 EJCB COc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 1461884 JLGXPLMOEUEIGL-ZJNRKIDTSA-N 340.354 4.569 10 40 EJCB Nc1[nH]nc(-c2ccc(Br)cc2)c1/N=N/c1ccccc1 5728989 YHUNUJNKOBZGTM-CZIZESTLSA-N 342.200 4.837 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 6709084 ODCSYVZUXBDFKD-GDNBJRDFSA-N 329.446 4.556 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1cc(C)ccc1C 96793231 LJNQJGFQABMLAE-XDHOZWIPSA-N 333.435 4.639 10 40 EJCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1 100540758 PZYNRJJTMRGYRV-NTEUORMPSA-N 331.202 4.800 10 40 EJCB CC[C@H](C)Oc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408905108 TUNDAHBRASAYJJ-FHHIAAGZSA-N 334.419 4.670 10 40 EJCB Cc1c(C(=O)CCn2cnc(Cl)c2Cl)sc2ccccc12 2577503 OCMWFBOKBRMBHG-UHFFFAOYSA-N 339.247 4.986 10 40 EJCB CCc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 226242230 KEACFZRXSNMERX-UHFFFAOYSA-N 339.439 4.760 10 40 EJCB CCN1C(C)=C(C)S/C1=C1\SC(=S)N(c2ccccc2)C1=O 100087501 LXOLKJFKGOPOOG-SQFISAMPSA-N 348.518 4.541 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)c1 1150656 QHXSLJQGBIKPJG-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)cc1 4140497 VBRJYCWDNLTSKR-WFXMLNOXSA-N 347.414 4.502 10 40 EJCB CCOC(=O)[C@H](Cc1ccccc1)n1c(C)ccc1-c1ccccc1 95951485 AIRGWDOKGMDBAX-NRFANRHFSA-N 333.431 4.810 10 40 EJCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 205062 PXNUJYGULGEIPK-UHFFFAOYSA-N 341.432 4.622 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 1452316 DYOPKXFYNCISOF-ZROIWOOFSA-N 331.487 4.771 10 40 EJCB CN(Cc1ccc(OC(F)F)cc1)Cc1c(O)ccc2ccccc12 3397133 USXGYMSYHCTUIR-UHFFFAOYSA-N 343.373 4.779 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@H]32)cc1 4140499 VBRJYCWDNLTSKR-UEXGIBASSA-N 347.414 4.502 10 40 EJCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 4868045 UZGWEDRFRBCMPH-XNTDXEJSSA-N 328.824 4.731 10 40 EJCB CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(OC)cc2)c1 216728060 OWMUUKRLUCDRIF-JOCHJYFZSA-N 348.446 4.584 10 40 EJCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1c[nH]c2ccccc12 6590722 DAEXXQPWSJQBQH-UHFFFAOYSA-N 347.443 4.543 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 6630656 SFADYRZNMJTATJ-ZWOKBUDYSA-N 337.394 4.829 10 40 EJCB CC1CCN(c2ccc([C@H](C)NC(=O)NC3CCCCC3)cc2)CC1 225757049 MSQGOERIIOZSLO-KRWDZBQOSA-N 343.515 4.616 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1)[C@H]1CC=C[C@@H]21 409155360 QUYMLFCDTLWEJB-LVCYWYKZSA-N 349.430 4.617 10 40 EJCB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(Cl)ccc1O 4678594 CRVYHXOMUQJTRE-UHFFFAOYSA-N 348.233 4.712 10 40 EJCB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccs1 6721623 SUEDMBTZTFQXGD-JXFKEZNVSA-N 348.427 4.696 10 40 EJCB Cc1c(Cl)cccc1NCc1cc(Br)ccc1O 235730768 KIBCRDCBLMJPGB-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1Cl 102572108 UEENJMILBUAHJE-FZFLATATSA-N 347.205 4.868 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 409156475 NVWDPPHHLMCBSB-SXGZJXTBSA-N 337.394 4.747 10 40 EJCB COc1cccc(CN(CCc2ccccc2)Cc2ccccc2)c1O 20019039 OYWOBFZJBLAXDN-UHFFFAOYSA-N 347.458 4.646 10 40 EJCB CC1=NC(=O)[C@@H](/N=N/c2cccc3ccccc23)N1c1ccccc1 8425762 JFSMOWBFBCORIR-CWJYSFMFSA-N 328.375 4.715 10 40 EJCB Cc1cccc(NCc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 226241591 RZQPUYXNOJVKLM-UHFFFAOYSA-N 339.439 4.752 10 40 EJCB CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 1449231 RBUVZCMLXDRKHK-VBKFSLOCSA-N 341.457 4.700 10 40 EJCB COc1ccc(N2C=C(C)C3=S2N(c2ccccc2)N=C3C)cc1 17118462 KZXBAQNMFWLSST-UHFFFAOYSA-N 337.448 4.586 10 40 EJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C)c2C)cc1 408942020 FDPRUDIPIOSXHL-UHFFFAOYSA-N 349.430 4.787 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c(C)c1 5375818 FBYZRCCCCSZSDA-JLJGJNDSSA-N 341.457 4.858 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 16160864 AYLMEEBMVILMDH-MFOYZWKCSA-N 335.794 4.627 10 40 EJCB O=C(O)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 35534028 YWWGHMWJSACFCU-RLFYNMQTSA-N 325.795 4.865 10 40 EJCB CCN(CC)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103845859 MZKPZDRFDHZNND-ZCXUNETKSA-N 343.343 4.765 10 40 EJCB Cc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)s1 4123996 HFGMIGJDJWLJDQ-IBGZPJMESA-N 347.443 4.907 10 40 EJCB O=C1/C(=C\c2cccs2)SC(=S)N1c1cccc(Cl)c1 4698709 CXZDTEWIEREGIZ-XYOKQWHBSA-N 337.878 4.807 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 6952957 NNAORMWTAAEXKP-IUUKEHGRSA-N 340.354 4.569 10 40 EJCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Cl)c1 1774605 SGWQQRZNWMZQOS-NTEUORMPSA-N 331.849 4.746 10 40 EJCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 6952811 MIHQYZHTDRMDAY-SUNYJGFJSA-N 340.354 4.569 10 40 EJCB CCOc1cccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)c1O 58441061 NXSKKMDBXNGWAN-NSHDSACASA-N 340.250 4.949 10 40 EJCB CCN(CCO)c1ccc(/C=C/c2nc3ccccc3s2)c(C)c1 8746976 XQROGOUHZZWHOR-PKNBQFBNSA-N 338.476 4.594 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1C(F)(F)F 58854625 RYUIPRKBBJNVFL-RVDMUPIBSA-N 330.309 4.512 10 40 EJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 19593897 PIEWXXSAOWVROB-MFOYZWKCSA-N 349.821 4.936 10 40 EJCB CCOC(=O)[C@@H](Cc1ccccc1)n1c(C)ccc1-c1ccccc1 95951484 AIRGWDOKGMDBAX-OAQYLSRUSA-N 333.431 4.810 10 40 EJCB CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2ccc(C)cc21 4123267 ZCAMSQQWPZLNBL-UHFFFAOYSA-N 333.480 4.928 10 40 EJCB CC1CCN([C@H](c2ccccc2)c2ccc3cccnc3c2O)CC1 4139963 HZNHTAMFWBXPCW-OAQYLSRUSA-N 332.447 4.762 10 40 EJCB CCOc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 1442034 XFGYDMHIYPXDBU-FOWTUZBSSA-N 347.505 4.619 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4959503 AFDNYIMLBRXEMD-BXWFABGCSA-N 336.391 4.738 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4959516 SKNIDMSHTWWSCS-AVYPCKFXSA-N 336.391 4.738 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cc(Cl)cc(Cl)c1 100148767 AQWWJKBVOMLHII-MHWRWJLKSA-N 346.217 4.712 10 40 EJCB CC(C)c1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 4471718 OYJYWPDUYZUIKX-RQZCQDPDSA-N 334.371 4.520 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2 14479887 BYDUZMLSOFGNQN-LQWHRVPQSA-N 333.431 4.998 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 5393828 XJJHLNYUTXOIBZ-GJYPPUQNSA-N 339.822 4.953 10 40 EJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccccc1Cl 16672922 JUWPVQBHFNJDSH-NTEUORMPSA-N 349.839 4.885 10 40 EJCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72216820 FFDOJDDGNICGSF-QGZVFWFLSA-N 341.455 4.561 10 40 EJCB CCCCOc1ccc(C(=O)C(=O)c2ccc(C)cc2Cl)cc1 6651113 SHCANAWQLXJPAR-UHFFFAOYSA-N 330.811 4.893 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4959499 MMFVALGIYAVNPU-TXPKVOOTSA-N 336.391 4.820 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 4140405 JGVZQZYRGOFCJB-MPGHIAIKSA-N 325.795 4.865 10 40 EJCB Cc1ccc(/N=N/Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 5362942 JLRQMDYURNUMCJ-UHFFFAOYSA-N 341.370 4.881 10 40 EJCB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@H]3c2ccccc2O)cc1 16249836 FFBBOHAWGBWISO-SFHVURJKSA-N 347.418 4.658 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 409155764 MTPQERVECBDYPT-QFSBIZTOSA-N 345.215 4.810 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112113384 MAWMPFFMTYDYMK-BOPFTXTBSA-N 343.789 4.588 10 40 EJCB Cc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)c(C)c1 408734233 VMYWEXBOZPTDES-UHFFFAOYSA-N 340.422 4.863 10 40 EJCB O=C1NC(=S)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)S1 2422776 MKQQGLKYMSNYAN-KPKJPENVSA-N 344.442 4.681 10 40 EJCB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(F)cc2)cc1 408767462 XYYRCZZNRDEPEI-CPNJWEJPSA-N 346.361 4.562 10 40 EJCB CCN(CC)c1ccc(CNc2ccc(C)cc2C)cc1[N+](=O)[O-] 226242168 KSSOIELWFOWWMT-UHFFFAOYSA-N 327.428 4.670 10 40 EJCB O=C(c1ccc2nc3ccc4ccccc4c3nc2c1)N1CCCCC1 408721722 LMDDEPXUXPDQGF-UHFFFAOYSA-N 341.414 4.562 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc2ccccc2c1 102959860 YFWRWHAOKHVAFF-ZHZULCJRSA-N 327.387 4.558 10 40 EJCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1cccc(F)c1 16672932 PVWARCLOECMVLC-NTEUORMPSA-N 332.787 4.562 10 40 EJCB CC[C@@H](c1ccc(N(C)C)cc1)N(CC)c1ccc(N(C)C)cc1 8618463 KLJRICHFSFPUCC-NRFANRHFSA-N 325.500 4.796 10 40 EJCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccc([N+](=O)[O-])cc1 408723401 UBFYTLKYIAARCF-WQRHYEAKSA-N 343.338 4.729 10 40 EJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 409166254 CJFOSSLQUHSWDM-KEYYUXOJSA-N 328.318 4.700 10 40 EJCB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1C 409338866 PUZGHLSYHUEMCS-WJDWOHSUSA-N 347.505 4.538 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc2ccccc12 12436612 OQWPWNSZSGVLIW-RGEXLXHISA-N 327.387 4.558 10 40 EJCB O=C1c2ccccc2-c2onc3ccc(NCCc4ccccc4)c1c23 507338 DBYIDRXXQQRVJM-UHFFFAOYSA-N 340.382 4.694 10 40 EJCB CCN1/C(=C2\C(=O)N(c3ccccc3)N=C2C)C=Cc2cc(C)ccc21 100538170 CAZPNHLFHPPXJA-MRCUWXFGSA-N 343.430 4.525 10 40 EJCB O=C(O)c1ccn2c(C(=O)c3ccccc3)c(-c3ccccc3)cc2c1 1308612 MDUKTVJKQXUSHA-UHFFFAOYSA-N 341.366 4.536 10 40 EJCB CCCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 2666917 RKGPSNLBCTZAQM-SSZFMOIBSA-N 348.537 4.534 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 100148146 LSGQVNFWKVJAEX-CPNJWEJPSA-N 346.361 4.892 10 40 EJCB Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1O 1477250 XJPFXSUQNDDLHG-UHFFFAOYSA-N 346.361 4.961 10 40 EJCB CC[C@@H]1CCCCN1Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12 20292095 RGSPHZMFORVAPR-CYBMUJFWSA-N 349.858 4.533 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 33772881 QSJONXNFEYCFGL-HLIPFELVSA-N 335.403 4.610 10 40 EJCB CN(/C=C/c1sc2ccc3ccccc3c2[n+]1C)c1ccccc1 352705 RAXLABUVAQZMFP-UHFFFAOYSA-N 331.464 4.986 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 100927539 FHDQNOXVIYTHPS-WQRHYEAKSA-N 339.826 4.675 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1c(C)cccc1C 4359681 VRIBZQVGYHUJEB-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB Cc1cc(C)c(O)c(C2=NN[C@@H](c3c(Cl)cccc3Cl)C2)c1 4423338 LJUDXXVVXZOTRX-OAHLLOKOSA-N 335.234 4.755 10 40 EJCB Cc1nn2c(=O)c(/N=N/c3ccccc3)c(C)[nH]c2c1-c1ccccc1 30874542 KIDOOZPTBPZGJF-GHVJWSGMSA-N 343.390 4.722 10 40 EJCB Cc1ccc(NCc2cc(Br)ccc2O)c(Cl)c1 44836252 QHOMROQKFJXKLB-UHFFFAOYSA-N 326.621 4.729 10 40 EJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C)cc1 408536737 XQYVAJNPZZUJIB-BOPFTXTBSA-N 339.826 4.675 10 40 EJCB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)c2ccccc21 409115443 JDAMZYURUORPEU-HKWRFOASSA-N 332.447 4.502 10 40 EJCB CCOc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4959546 VJPQKAVPYLXHQF-BXWFABGCSA-N 336.391 4.820 10 40 EJCB Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c2c1CCC2 1390362 YSUPASDJPCIUPE-UHFFFAOYSA-N 348.475 4.662 10 40 EJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 1476463 OWUAUZZSAFVACY-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 12437357 YRBUCQGNSYBNOS-JYRVWZFOSA-N 335.837 4.647 10 40 EJCB CSc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 199301 SSRWHBSOZILWBE-WJDWOHSUSA-N 325.458 4.778 10 40 EJCB CCCN(CCC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2271377 AQSHVCGPZYNLNV-CAPFRKAQSA-N 348.446 4.658 10 40 EJCB O=C(/C=C/c1cnccn1)Nc1ccc(/N=N/c2ccccc2)cc1 71819327 LFMLBQCLNUQYLS-MCRSFOJQSA-N 329.363 4.544 10 40 EJCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408736040 BOELNQOXCNEHOA-TYILLQQXSA-N 325.795 4.895 10 40 EJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(C2CCCC2)C1=O 32654878 AJANDBWAKFPITG-PKRRCJCNSA-N 329.490 4.777 10 40 EJCB CCCCc1ccc(NCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 226242331 VMVCYEFSRLYWFJ-UHFFFAOYSA-N 327.428 4.616 10 40 EJCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc2ccccc2c1 1305370 GJRCVBXHAWKOMB-YVLHZVERSA-N 348.452 4.641 10 40 EJCB Cc1ccc(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)c(C)c1 408977515 WDSUHJUWGWGVBW-SXGWCWSVSA-N 335.359 4.501 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 8101642 VROTTXGVPRTXMW-MPGHIAIKSA-N 341.357 4.578 10 40 EJCB CCOc1ccccc1/N=N/c1ccc2oc(=O)c(C(C)=O)cc2c1 17211100 XGYUEUZCLNDELL-QZQOTICOSA-N 336.347 4.810 10 40 EJCB Oc1ccc(Br)cc1CNc1cccc2c1CCCC2 44836145 VJSSDWLXRPMBCT-UHFFFAOYSA-N 332.241 4.646 10 40 EJCB Cc1cc(O)c(CN2C[C@H](C)O[C@H](c3ccccc3)C2)cc1C(C)C 84077002 FTXIGJPRYUEMAT-JTSKRJEESA-N 339.479 4.786 10 40 EJCB CC1CCN(c2ccc([C@@H](C)NC(=O)NC3CCCCC3)cc2)CC1 225757017 MSQGOERIIOZSLO-QGZVFWFLSA-N 343.515 4.616 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 4044847 HYMCVDDWZHBQOW-JCGVRSQUSA-N 325.795 4.865 10 40 EJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccccc3)cc2)C1 260467497 ZNCVVISNKXVYCO-ISCMGLGLSA-N 348.490 4.814 10 40 EJCB Cc1cccc(NC2=NC(=O)/C(=C\c3cc4ccccc4n3C)S2)c1 5374367 LEAWHTXIOOBFQF-LDADJPATSA-N 347.443 4.569 10 40 EJCB COc1ccc(C)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 4140537 RIIOHIUWEGYOJT-GJYPPUQNSA-N 335.403 4.528 10 40 EJCB CC(C)N1c2ccc(/C=C3/SC(=O)NC3=O)cc2[C@H](C)CC1(C)C 260565751 JVUAGQVIBKMEQO-GFQQVXNGSA-N 344.480 4.511 10 40 EJCB Brc1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 6971314 YGOZJLHOLQQZEC-WOSRLPQWSA-N 327.225 4.671 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 12447479 NYBLHOFQKURDGV-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB CSc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1 211174596 JZPDOFXOKHUGKS-WJDWOHSUSA-N 340.473 4.799 10 40 EJCB CC1CCN(C2=NC(=O)/C(=C\c3cccc4ccccc34)S2)CC1 4480307 FFJRJYATOYRIKE-QGOAFFKASA-N 336.460 4.542 10 40 EJCB Oc1ccccc1[C@H]1CC(c2ccccc2)=N[C@@H](c2ccccc2)N1 80325015 QLLGQVLIHCCTLM-IFMALSPDSA-N 328.415 4.615 10 40 EJCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1 1261141 ORDSUMSSWXRNKO-NTEUORMPSA-N 349.839 4.885 10 40 EJCB CCN(CC)CCCNc1ccc(Nc2ccc(OC)cc2)cc1 4366722 QMSQHSPGLYJCSN-UHFFFAOYSA-N 327.472 4.583 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 302507 BKTOQYXUAMNDDY-LVCYWYKZSA-N 349.430 4.698 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4959502 MMFVALGIYAVNPU-FCEWJHQRSA-N 336.391 4.820 10 40 EJCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1F 100049771 NUDZHXCEETVVKU-MDWZMJQESA-N 349.192 4.939 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1OC 409157041 VDVRSWYDWHYIFQ-SNUQEOBHSA-N 325.383 4.669 10 40 EJCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1 2889917 VBCIZBUZDRQJTE-XMHGGMMESA-N 333.431 4.823 10 40 EJCB Cc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 3953829 SMQYMAVYZRHNIE-VHEBQXMUSA-N 342.376 4.516 10 40 EJCB in-vitro CCOc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 13389525 QWJMABCFVYELBB-GPMSIDNRSA-N 335.403 4.610 10 40 EJCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC(C)(C)C1 507419 KJBFBCNIYLJEIB-QURGRASLSA-N 346.406 4.604 10 40 EJCB CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(OC)cc3)c2)cc1 216727670 DYUJECQFPZBMSL-QFIPXVFZSA-N 348.446 4.584 10 40 EJCB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1C 94818 KJMWLYMQBOQGQN-UHFFFAOYSA-N 337.394 4.917 10 40 EJCB CCCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409218325 UBAORSSSHTUDIM-VKAVYKQESA-N 344.480 4.513 10 40 EJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112111761 JJAPPGLIUUBUES-RGEXLXHISA-N 337.398 4.551 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1 6870888 ZHVAJTQMDSCHEY-LDADJPATSA-N 336.460 4.948 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 12412754 FSDDLINBXYXAAG-DHDCSXOGSA-N 331.202 4.800 10 40 EJCB Cc1ccccc1/N=N/c1ccc2c(S(=O)(=O)O)cccc2c1O 4804141 OWTHHJCLYUKWJR-VHEBQXMUSA-N 342.376 4.516 10 40 EJCB Oc1c(-c2ncc(-c3ccc(Cl)cc3)o2)sc2ncccc12 6585756 UTFONPURSXKNLL-UHFFFAOYSA-N 328.780 4.977 10 40 EJCB COc1cc(/N=N/c2ccc(O)c3ncccc23)c2ncccc2c1 100681064 HBQZEQAVPMSYRO-GHVJWSGMSA-N 330.347 4.913 10 40 EJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(C)c2O)N3)C1 8197244 SOPWVMWKNSTHJM-DIFFPNOSSA-N 342.464 4.706 10 40 EJCB COc1cc(/N=N/c2ccc(Cl)c(Cl)c2)cc(C=O)c1O 70462741 FCUJSGTWWLBZRL-ISLYRVAYSA-N 325.151 4.936 10 40 EJCB Cc1ccc(C)n1[C@@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1 4089661 GGWFBFBOFXATQV-NRFANRHFSA-N 349.430 4.748 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1 9188716 ZFISSKQKSCMKQO-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB Brc1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 20750850 YGOZJLHOLQQZEC-XJKCOSOUSA-N 327.225 4.671 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2cccc(C)c2)cc1 408758516 LOBMIBKQQMIPBX-XSFVSMFZSA-N 342.398 4.731 10 40 EJCB Cc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1Br 165465 WYUNFFFYRXWGIH-UHFFFAOYSA-N 334.135 4.755 10 40 EJCB in-vitro N=C(N)c1ccc(N/N=N\c2cccc3c2Oc2ccccc2O3)cc1 5497029 VMMVOEAUELFVTK-UHFFFAOYSA-N 345.362 4.979 10 40 EJCB Cc1ccnc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)c1 13062712 DGZVJIWHPPXOQV-IBGZPJMESA-N 347.443 4.907 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 59267068 ILAAWHTXDIGTIR-MBOZVWFJSA-N 336.391 4.820 10 40 EJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112111776 NNZJRXGIKNIMSW-RGEXLXHISA-N 337.398 4.551 10 40 EJCB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1OC 8169000 CSWPWTAKPOLUDQ-CKFHNAJUSA-N 325.383 4.669 10 40 EJCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1cccc([N+](=O)[O-])c1 408722977 OYUXVBUNUGASBC-ZDLGFXPLSA-N 343.338 4.729 10 40 EJCB Cc1cc2n(n1)[C@@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1ccccc1-2 817710 KZASRLCVXVMOCJ-FQEVSTJZSA-N 349.434 4.540 10 40 EJCB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N)cc1 19736813 HWIUHMFWKMYUMJ-KDOFPFPSSA-N 326.440 4.578 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 4044851 HYMCVDDWZHBQOW-LXIYXOSZSA-N 325.795 4.865 10 40 EJCB O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1c1cccnc1 7166164 UHNVDQDYFMYOSG-BOPFTXTBSA-N 348.452 4.641 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 170620776 OQMZDIRZHMKGTG-VKJFTORMSA-N 339.822 4.953 10 40 EJCB Cc1ccc(C)n1-c1ccc(-c2ccnc(-c3ccccn3)n2)cc1 1386317 RAQZSWRTVBLGRQ-UHFFFAOYSA-N 326.403 4.613 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6935468 HZVZATWGHAUUHV-STXHMFSFSA-N 336.391 4.820 10 40 EJCB CN1C(=O)/C(=C/c2ccc(SC3CCCCC3)o2)SC1=S 41077615 AKIOROXCDVAUIO-XFXZXTDPSA-N 339.507 4.535 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 409166565 FJUWJLUUFQYWSX-TYILLQQXSA-N 337.394 4.829 10 40 EJCB O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2)N1c1ccccc1 4577833 CBAINSDDWHHXCC-HKWRFOASSA-N 342.373 4.660 10 40 EJCB Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)c1 9378249 HOQQGFPBOKRLFP-UHFFFAOYSA-N 345.855 4.564 10 40 EJCB Cc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644625 DOECATHDPAOLQY-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB COCc1cccc(OCC2(CSc3nccs3)CCC2)c1 89420363 HPHIAQOQWPWEBR-UHFFFAOYSA-N 335.494 4.631 10 40 EJCB COc1ccc(/C=C2/C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1 17288550 DNSMRQAMNNFWCL-UNOMPAQXSA-N 332.399 4.555 10 40 EJCB Cc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 9188717 FAQCJFBMOUXMJP-WJDWOHSUSA-N 325.458 4.709 10 40 EJCB CCCCCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 9192510 QZCMJFNGQNVXLR-LFIBNONCSA-N 344.505 4.710 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1 6870887 NPCWARXZQSPZPU-LDADJPATSA-N 336.460 4.948 10 40 EJCB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1 408948522 PHTDKODTSYGYFW-UHFFFAOYSA-N 343.785 4.954 10 40 EJCB CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 409369448 BUQUPJLTQMEVTO-MDZRGWNJSA-N 338.838 4.526 10 40 EJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3F)cc2)C1 108507490 RLQDKZIRNZXARX-HOTGVXAUSA-N 340.442 4.553 10 40 EJCB CCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)SC1=S 409135981 XALNKBHTDOBVSM-SXGWCWSVSA-N 344.505 4.518 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1OC 409157025 VDVRSWYDWHYIFQ-FHSNZYRGSA-N 325.383 4.669 10 40 EJCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N=C2O)c1C 33316893 UKBMWAHBLJFZBJ-YBEGLDIGSA-N 342.489 4.986 10 40 EJCB COc1cccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)c1OC 8168998 XJZKSCFTDZRGTI-ZJNRKIDTSA-N 343.373 4.809 10 40 EJCB Cc1cccc(N2CCN(Cc3c(O)ccc4ccccc34)C[C@@H]2C)c1 23486629 QYWCDPIJNLVKNP-SFHVURJKSA-N 346.474 4.565 10 40 EJCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1 1252310 IGSAQXPVIKWHEX-RIYZIHGNSA-N 349.839 4.885 10 40 EJCB O=[N+]([O-])c1ccccc1NNc1c2ccccc2nc2ccccc12 31847572 PMXIBOMPXYFUOE-UHFFFAOYSA-N 330.347 4.735 10 40 EJCB CC(C)(C)n1cc(CN(Cc2ccccc2O)C2CCCCC2)cn1 95453777 IXJQOYWFPHCKEH-UHFFFAOYSA-N 341.499 4.679 10 40 EJCB Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1C 9484384 KVBRWCGXIHWLJI-UHFFFAOYSA-N 345.855 4.564 10 40 EJCB Oc1c([C@H](c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12 38305 HOKPJBCDXUEGDO-FQEVSTJZSA-N 336.410 4.655 10 40 EJCB Nc1cc(O)c(C(=O)Nc2ccccc2)cc1/N=N/c1ccccc1 4107485 UBDCIFKBHRLPGZ-GHVJWSGMSA-N 332.363 4.642 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 35038734 SPVYMEFHPWYMSN-SFQUDFHCSA-N 339.485 4.963 10 40 EJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)NC3CCCCC3)cc2)C1 260802964 UAXXDFNHLBFJON-IRXDYDNUSA-N 343.515 4.616 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 9188684 NMZLYOLWGIPYIV-WIOAZZGGSA-N 325.458 4.649 10 40 EJCB CCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 408942485 GARXTRWGFPHQTB-UHFFFAOYSA-N 349.430 4.733 10 40 EJCB CCc1ccccc1NC1=NC(=O)/C(=C/C=C/c2ccccc2)S1 5373139 YLCHDOPIVYBDSD-AGJFMPELSA-N 334.444 4.888 10 40 EJCB COc1ccc(CN(Cc2c(O)ccc3ccccc23)C2CC2)cc1 8148308 LMVGCUYSAPFRQG-UHFFFAOYSA-N 333.431 4.719 10 40 EJCB Oc1ccc(Br)cc1CNc1ccc(F)cc1Cl 44836218 CJDVOWVAGVKROB-UHFFFAOYSA-N 330.584 4.559 10 40 EJCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)cc1 1191189 DXGPCESTTPLPSK-NTEUORMPSA-N 349.839 4.885 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1C 8306391 DJZKLUGEMSPGRV-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 15218417 IVWNHJKZDBXOMY-XHBSWPGZSA-N 342.782 4.780 10 40 EJCB Cc1ccccc1N1C(=O)/C(=C\c2sccc2C)SC1=S 96505063 JIWFKIGJAIAGAN-NTEUORMPSA-N 331.487 4.771 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 95471537 GTZDDMRKYMXEAJ-YBEGLDIGSA-N 346.217 4.712 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc(C)ccc1C 6556638 LJNQJGFQABMLAE-UNOMPAQXSA-N 333.435 4.639 10 40 EJCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(F)cc1 3024694 YLPRCWUZSROOFV-ZROIWOOFSA-N 349.839 4.885 10 40 EJCB CCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C 4682067 NDSBDFNYNAKJOB-CYVLTUHYSA-N 334.419 4.672 10 40 EJCB Cc1ccc(CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 16292330 YGLKNCZSLUXJDQ-YBEGLDIGSA-N 343.448 4.536 10 40 EJCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2 13634943 ZKDPIORMQBKMNJ-LQWHRVPQSA-N 349.430 4.698 10 40 EJCB Cc1nn(C(=S)S)c(C)c1/N=N\c1ccccc1C(F)(F)F 104225427 IVSLIPUWJOKTBT-ZCXUNETKSA-N 344.387 4.997 10 40 EJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cccc2ccccc12 69010 SZEWUTPPHYLRMC-KGENOOAVSA-N 326.399 4.954 10 40 EJCB Cc1cc(/C=C2\SC(=S)N=C2O)c(C)n1-c1ccc(F)cc1 33322338 YQKJSYCUHHVUDH-ZSOIEALJSA-N 332.425 4.562 10 40 EJCB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N)cc1 19736815 HWIUHMFWKMYUMJ-RDTXWAMCSA-N 326.440 4.578 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 409158988 YTLSZWJPDCOOGQ-GQIGUUNPSA-N 337.394 4.747 10 40 EJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1Cl 15134090 JANWWUWABUSGKW-GXDHUFHOSA-N 346.217 4.712 10 40 EJCB CC(=O)c1ccc(O)c(CN(C2CCCCC2)C2CCCCC2)c1O 31670202 NGJJEZVCTSGDRK-UHFFFAOYSA-N 345.483 4.768 10 40 EJCB in-vitro O=C1/C(=C/c2ccccc2F)SC(=S)N1c1cccc(Cl)c1 35419742 NCHZRCOWLPMUQN-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 20713205 RMUOVZKHXFFEFZ-LPMFXHHGSA-N 336.391 4.820 10 40 EJCB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 104183700 KIMWWSKAIJIRMR-RJHSQMFMSA-N 349.390 4.708 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 4959570 OUPOBTJOBQFJHU-ABSDTBQOSA-N 349.430 4.698 10 40 EJCB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 226713553 XJJHLNYUTXOIBZ-GPMSIDNRSA-N 339.822 4.953 10 40 EJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C)ccc2C)cc1 408944675 JHCMBPWKYXIHSD-UHFFFAOYSA-N 349.430 4.787 10 40 EJCB O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(-c2ccccc2)cc1 96669661 WEEVLXNWNYJEGZ-XMHGGMMESA-N 348.471 4.856 10 40 EJCB COC(=O)c1cc(-n2c(C)ccc2-c2ccccc2)ccc1Cl 8413217 SOVQHFRQXCFAMD-UHFFFAOYSA-N 325.795 4.893 10 40 EJCB O=C(CSc1nccs1)Nc1ccc(-c2ccccc2)cc1 47298494 LTJDXQQCXWPUJJ-UHFFFAOYSA-N 326.446 4.541 10 40 EJCB COc1ccc(N2C(=O)C(C)(C)[C@H]2c2c(O)ccc3ccccc23)cc1 3628963 YOIHFZKBVYBKSD-HXUWFJFHSA-N 347.414 4.668 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 5374526 DUUJQIUGOMOOEB-FJXLJRRWSA-N 341.457 4.798 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1OC)[C@H]1CC=C[C@H]21 6960319 LFISYRGARLJQOX-QYWGDWMGSA-N 349.430 4.617 10 40 EJCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccccc1C(F)(F)F 225326573 ZFVYJOMIMAEGPE-UHFFFAOYSA-N 335.247 4.858 10 40 EJCB COc1cc2c(cc1NCC(=O)Nc1ccccc1)oc1ccccc12 11619235 LZDHJHJZCLACOI-UHFFFAOYSA-N 346.386 4.645 10 40 EJCB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2ccccc2O)C1 17070606 YKAXTCQYQURFBP-KRWDZBQOSA-N 335.382 4.789 10 40 EJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCCC1 112113427 LJRCNXLZQXCLOO-RGEXLXHISA-N 343.446 4.525 10 40 EJCB CCCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2666871 OMROSLAOFCTNKS-RAXLEYEMSA-N 325.886 4.731 10 40 EJCB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c(C)c1 94807 WLRMBIVBZLNLDR-UHFFFAOYSA-N 337.394 4.917 10 40 EJCB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6337781 KIMWWSKAIJIRMR-WWWFNMJVSA-N 349.390 4.708 10 40 EJCB Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C 226241894 ZDWQYYNHIBTHBT-UHFFFAOYSA-N 339.439 4.814 10 40 EJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 409150549 CFFOBJXGBOUXOS-GQIGUUNPSA-N 337.394 4.747 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(Cl)cccc1Cl 12436425 MLKMRHIZMPOVTM-RAXLEYEMSA-N 346.217 4.712 10 40 EJCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(F)cc1 15226333 BBPLMUNMXWHIHI-LCYFTJDESA-N 345.167 4.570 10 40 EJCB Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 59417958 CFXVUSBTUFYZMF-BOPFTXTBSA-N 339.485 4.705 10 40 EJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)cc1 408966680 NNKSXURNOUYCKC-UHFFFAOYSA-N 328.209 4.921 10 40 EJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccccc1 1225528 HRHUYCIMYDPVOU-NNLXQCSXSA-N 337.469 4.644 10 40 EJCB COc1ccc(CNC2CCCCC2)cc1CNC1CCCCC1 95951535 JSLJLNCIUPUSSG-UHFFFAOYSA-N 330.516 4.540 10 40 EJCB CCn1c2ccccc2c2cc(/N=N\c3ccc(N)nc3N)ccc21 104230288 MCCNUGZOMUPADR-VHXPQNKSSA-N 330.395 4.789 10 40 EJCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959569 BKTOQYXUAMNDDY-UEXGIBASSA-N 349.430 4.698 10 40 EJCB CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1C 15930949 FBZLXRNEAQORCK-QINSGFPZSA-N 340.810 4.545 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(Cl)c1 101148489 NUVJZGKOEQOGGA-MHWRWJLKSA-N 346.217 4.712 10 40 EJCB COc1ccc2ccccc2c1/C=C1\SC(c2ccccc2)=NC1=O 248183 FXRSELWNKINPGN-UYRXBGFRSA-N 345.423 4.910 10 40 EJCB COc1ccc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 13389378 XDFSRIBCWBUTOS-NBQZKYEYSA-N 336.391 4.738 10 40 EJCB Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 21729024 FVCMCXLGIRHVRA-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB Brc1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 4168338 IFRQHBFWQRFPTC-WOSRLPQWSA-N 327.225 4.671 10 40 EJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(C)ccc2O)N3)C1 4545419 BNGLTGSVLDPXTP-GTNSWQLSSA-N 342.464 4.706 10 40 EJCB Cc1cc(N2CCCC2)ccc1/C=C1/Sc2ccccc2NC1=O 409091968 WLYOUMUEUPWCLK-CPNJWEJPSA-N 336.460 4.681 10 40 EJCB CC(C)(C)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5372215 JZWFTPQCYBEXBI-QKFASICWSA-N 337.897 4.809 10 40 EJCB C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 8775638 UATSXSLMISVTNC-GOSISDBHSA-N 346.474 4.527 10 40 EJCB COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4959517 SKNIDMSHTWWSCS-SXGZJXTBSA-N 336.391 4.738 10 40 EJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 408736639 YMBXZUSEYLMPHW-UWVAXJGDSA-N 333.431 4.998 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 409172604 DKWMVGCDGBTVIS-DBXWQHBBSA-N 333.431 4.917 10 40 EJCB CCOc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4959545 VJPQKAVPYLXHQF-TXPKVOOTSA-N 336.391 4.820 10 40 EJCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 37613800 VNUSINHARRHBKC-IGCXYCKISA-N 325.795 4.865 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 4151423 ZSNZIOLOVSOIRF-FCEWJHQRSA-N 336.391 4.738 10 40 EJCB Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 96100808 PARZCLXSQFOXJV-CQSZACIVSA-N 341.625 4.791 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 94348 JGVZQZYRGOFCJB-DAYGRLMNSA-N 325.795 4.865 10 40 EJCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225794970 VSVUNGOQZYGICJ-UHFFFAOYSA-N 341.524 4.541 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21 4151425 ZSNZIOLOVSOIRF-BXWFABGCSA-N 336.391 4.738 10 40 EJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)cccc1C 4358363 JHYAETCGIXUEJP-GZTJUZNOSA-N 339.826 4.675 10 40 EJCB Oc1c(CN2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 8392581 XBTNJFMNSLNQLH-GFCCVEGCSA-N 343.776 4.973 10 40 EJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3F)cc2)C1 24613790 RLQDKZIRNZXARX-JKSUJKDBSA-N 340.442 4.553 10 40 EJCB Cc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 8549889 HGZFNRQQQAYWNU-OVCLIPMQSA-N 346.814 4.870 10 40 EJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21 409172369 CYXBYCRGNWHWNE-XWCIJXRUSA-N 328.318 4.700 10 40 EJCB CCN(CC)c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 2192727 JKOIJQFZEYFYIO-UHFFFAOYSA-N 335.495 4.655 10 40 EJCB CSc1ccc2cc(/C=C/c3cccc[n+]3C)c(Cl)nc2c1 5002335 QZIPCBMXQFMXIC-UHFFFAOYSA-N 327.860 4.605 10 40 EJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1cccc(F)c1 408973434 MWHFEGKRRDKXQK-ZSOIEALJSA-N 349.839 4.885 10 40 EJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccccc1 3030790 SFAYDEMUHBPURL-UVTDQMKNSA-N 331.849 4.746 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 409170396 VCSPPGIVPDDFJD-DVOMOZLQSA-N 345.215 4.810 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 96006167 QWJMABCFVYELBB-MDZRGWNJSA-N 335.403 4.610 10 40 EJCB O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccccc1F 16672842 GRSZKDCOHSSIAJ-ZROIWOOFSA-N 332.787 4.562 10 40 EJCB Oc1c([C@H](Nc2ccccn2)c2cccc(F)c2)ccc2cccnc12 38297 SVVYTUGDBBGVBU-LJQANCHMSA-N 345.377 4.676 10 40 EJCB Cc1ccc(C)c(-n2c(CCC(=O)O)ccc2-c2cccs2)c1 94877 KEVGUSBLEMXWIR-UHFFFAOYSA-N 325.433 4.840 10 40 EJCB Cn1c(-c2cccc(Cl)c2)cnc1NCc1cc(Cl)ccc1O 4678165 IANMDYUIEFEPII-UHFFFAOYSA-N 348.233 4.712 10 40 EJCB CCOC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 94360 XXHWDSGFRVUSIG-JTDSTZFVSA-N 337.394 4.829 10 40 EJCB O=C1/C(=C\c2ccnc3ccccc23)SC(=S)N1c1ccccc1 8652582 HYZLCMOSSFJTFV-SFQUDFHCSA-N 348.452 4.641 10 40 EJCB CC[C@@H](NCc1c(Cl)ccc2cccnc12)c1ccccc1O 95985122 PLMOJEGERADDMS-QGZVFWFLSA-N 326.827 4.835 10 40 EJCB CC1=C(C)C[C@H]2C(=O)c3c(c(O)c4ccccc4c3Cl)C(=O)[C@@H]2C1 104234410 LCUHMZGUYAPOCX-ZIAGYGMSSA-N 340.806 4.940 10 40 EJCB Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1F 6823736 LNIHCMSSHUIMRS-UHFFFAOYSA-N 345.373 4.521 10 40 EJCB CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(N(C)C)cc1 2091715 DIRDKZCTXYKEHM-FQEVSTJZSA-N 342.483 4.524 10 40 EJCB biogenic CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(C)cc1 102881353 GRKKHVHLWFKZBU-AQTBWJFISA-N 337.398 4.633 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959566 BKTOQYXUAMNDDY-LQWHRVPQSA-N 349.430 4.698 10 40 EJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)c1 6832091 IAQDPHBEXNZYOZ-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB COc1ccccc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 226901428 RVKNABBAKKJNAF-QEEYODRMSA-N 336.391 4.738 10 40 EJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 408807346 BWBWVZKFFMOXQR-YVLHZVERSA-N 340.448 4.541 10 40 EJCB CCOC(=O)[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]12 58851054 KDMJPZMMBVBBAY-BFHDXFOESA-N 346.641 4.664 10 40 EJCB Cc1cccc(/N=N\c2c(-c3ccccc3)nn(C(N)=S)c2C)c1C 104225576 PIJDBTOUFQIYRJ-DQRAZIAOSA-N 349.463 4.982 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 409170438 VROTTXGVPRTXMW-VKJFTORMSA-N 341.357 4.578 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4132351 SMPRUDMZVSHSEE-MPGHIAIKSA-N 340.354 4.569 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 13463994 DSAWPPZRBMIZID-RAXLEYEMSA-N 331.202 4.800 10 40 EJCB CN(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 13522730 XTXFRDAVOASSRM-UHFFFAOYSA-N 333.254 4.792 10 40 EJCB Cc1cc(C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccccc1F 48333374 OGAFWAAQFLEYBY-UHFFFAOYSA-N 342.439 4.567 10 40 EJCB Cc1ccc2n1CCn1cc(-c3ccc(Br)cc3)cc1-2 257198 GJFSICMRWSCHIT-UHFFFAOYSA-N 327.225 4.708 10 40 EJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 20755160 YNAVHNDWYXPCMH-HLIPFELVSA-N 336.391 4.738 10 40 EJCB CCc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 33313699 YBEWANFVHUNJOA-VBKFSLOCSA-N 331.506 4.783 10 40 EJCB CCc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc1 35647911 CMNLNJRIBFMRSX-LDADJPATSA-N 336.460 4.948 10 40 EJCB COc1ccc2ccccc2c1/C=C1\C=C(c2cccs2)OC1=O 409055160 WQVHFNBZCGHXEQ-SDNWHVSQSA-N 334.396 4.891 10 40 EJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 5371762 XBRCKPNAPUSUCB-YBEGLDIGSA-N 343.448 4.848 10 40 EJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc(C)ccc1C 6281925 ZAZWLDLYYAZONT-PDGQHHTCSA-N 333.435 4.639 10 40 EJCB Cc1cccc(OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 3269200 PBYLOHFKZDEYLK-UHFFFAOYSA-N 337.394 4.803 10 40 EJCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]32)cc1 4140498 VBRJYCWDNLTSKR-OPYAIIAOSA-N 347.414 4.502 10 40 EJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC1CCCCCC1 96602831 OCKYZZPYLYELHG-NBVRZTHBSA-N 343.446 4.525 10 40 EJCB Nc1ccc([N+](=O)[O-])cc1Nc1c2ccccc2nc2ccccc12 5390089 NEMZBHJYPHYCNK-UHFFFAOYSA-N 330.347 4.622 10 40 EJCB Cc1cccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)c1C 5854347 UETXEMFOPUGBBM-MHWRWJLKSA-N 326.396 4.525 10 40 EJCB Cc1ccc([C@@H](c2cc(Br)ccc2O)N2CCCC2)cc1 32801379 PKDNJAYKJSOACN-SFHVURJKSA-N 346.268 4.648 10 40 EJCB O=C1c2ccccc2C(=O)c2c1c(O)cc1sc3ccccc3c21 35323597 DUQRDBOFNUXCQS-UHFFFAOYSA-N 330.364 4.536 10 40 EJCB O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3ccccc23)c([N+](=O)[O-])c1 4829929 UZDCSGURJIPTEA-ISLYRVAYSA-N 338.279 4.777 10 40 EJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 4852953 KGHDYQBQZDWOQU-FCEWJHQRSA-N 336.391 4.820 10 40 EJCB Cc1ccc(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1C 6556851 RNUNLCPCWPFHSY-MFOYZWKCSA-N 335.359 4.501 10 40 EJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 2488517 JGVZQZYRGOFCJB-RLFYNMQTSA-N 325.795 4.865 10 40 EJCB O=C(O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 4179169 FQBBOGRHMRUVJD-UHFFFAOYSA-N 349.386 4.826 10 40 EJCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCC1 10910098 FSZWTJSEEITMEW-OAQYLSRUSA-N 331.415 4.551 10 40 EJCB COCCn1c(-c2ccc(C)cc2)cnc1SCc1ccccc1 44085906 DVELTMOCOMBXOD-UHFFFAOYSA-N 338.476 4.797 10 40 EJCB CSc1ccc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc1 33660956 HMUBJFVYJBWAEI-LFIBNONCSA-N 340.473 4.799 10 40 EJCB Cc1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1 6174129 CPVYNNOMNVUPBL-XNTDXEJSSA-N 329.421 4.540 10 40 EJCB CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCCN23)cc1 19324262 NEVIELUTPGBCJW-PKTZIBPZSA-N 349.522 4.512 10 40 EJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 229983076 BJFQJSHIKCEXET-RKVPGOIHSA-N 325.795 4.865 10 40 EJCB biogenic CC(=O)Nc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1 8042118 KEAKUSVOEKWFMQ-UHFFFAOYSA-N 337.448 4.502 10 40 EJCB Cc1ccnc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1 8581347 PKUYZMYEHWGCMG-HXUWFJFHSA-N 341.414 4.845 10 40 EJCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccnn2C)cc1 63451032 MSBLRGIPWWQUIC-GHVJWSGMSA-N 333.395 4.705 10 40 EJCB Cc1cc(S(=O)(=O)O)ccc1/N=N\c1c(O)ccc2ccccc12 100586305 FEACTMUAXQJDBH-HNENSFHCSA-N 342.376 4.516 10 40 EJCB Cc1cc(C)n2nc(N)c(/N=N/c3cc(Cl)ccc3Cl)c2n1 3849246 XOVDKCWRURTTRF-FMQUCBEESA-N 335.198 4.651 10 40 EJCB Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c(C)c1 6167704 VAOXHERYVXGXEH-MHWRWJLKSA-N 343.448 4.848 10 40 EJCB COc1cc2c(cc1OC)C1=C(C3=CCC(=O)[C@@]3(C)CC1)[C@H](C)S2 4666792 MWIYBQMVEHXNMK-YBTHPKLGSA-N 342.460 4.651 10 40 EJCB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccccc1O 4678352 HJINSCUACYICNF-UHFFFAOYSA-N 348.233 4.712 10 40 EJCB Oc1ccc2ccncc2c1CN(Cc1ccccc1)CC(F)(F)F 22002905 VSOVFUDUMFGFAF-UHFFFAOYSA-N 346.352 4.505 10 40 EJCB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(O)c1 102436130 LYWUMTVKAAPYJT-RIYZIHGNSA-N 347.201 4.505 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2 409175623 TWTBOXWJVMSHSK-SIFCLUCFSA-N 335.403 4.610 10 40 EJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 6960443 NVWDPPHHLMCBSB-MDOVXXIYSA-N 337.394 4.747 10 40 EJCB O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1c1cccnc1 97990668 UHNVDQDYFMYOSG-GZTJUZNOSA-N 348.452 4.641 10 40 EJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C)cc1C 95471478 FNZUEATYRLTDSE-UNOMPAQXSA-N 333.435 4.639 10 40 EJCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 408904393 IUVXRBQLIMLKBV-NPQOUYBPSA-N 334.419 4.670 10 40 EJCB COc1ccccc1CNc1ccc2c(c1)ncn2-c1ccccc1 170123 GJCFZXHMEQCJTP-UHFFFAOYSA-N 329.403 4.646 10 40 EJCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1Cl 1244522 JUWPVQBHFNJDSH-ZROIWOOFSA-N 349.839 4.885 10 40 EJCB CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 208843860 MLOFXZCNANFGJF-SFQUDFHCSA-N 340.810 4.545 10 40 EJCB Cc1ccnc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1 1587769 PKUYZMYEHWGCMG-FQEVSTJZSA-N 341.414 4.845 10 40 EJCB Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(F)c(Cl)c1 4748005 SXHJVLIIIZRJRK-UHFFFAOYSA-N 348.849 4.555 10 40 EJCB Oc1ccc(Cl)cc1CNc1ccc(F)cc1Br 20430451 IBOFBCLQQWNSJN-UHFFFAOYSA-N 330.584 4.559 10 40 EJCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(Cl)cc1 1288430 RXQICXGQBKMHEG-XYOKQWHBSA-N 337.878 4.807 10 40 EJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 112112441 GOISNNJKZVKBKJ-QNGOZBTKSA-N 341.414 4.948 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6951548 WMHRYKXTCDIPIS-RLFYNMQTSA-N 340.354 4.569 10 40 EJCB Brc1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 4623302 IFRQHBFWQRFPTC-XJKCOSOUSA-N 327.225 4.671 10 40 EJCB Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 7100046 VCSPPGIVPDDFJD-WOSRLPQWSA-N 345.215 4.810 10 40 EJCB CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408905109 TUNDAHBRASAYJJ-WBFOAEISSA-N 334.419 4.670 10 40 EJCB Cc1cc(C)cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 342818 JOHOJJVACGKHIS-UHFFFAOYSA-N 341.410 4.690 10 40 EJCB CC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 3303504 LMEFKAMFAQARCJ-UHFFFAOYSA-N 334.257 4.540 10 40 EJCB Cc1cc(C)c(O)c(CN(C)Cc2cc(Cl)cc(Cl)c2O)c1 31628778 ZYFVGABFAJUTDB-UHFFFAOYSA-N 340.250 4.653 10 40 EJCB Cc1ccc([C@H](c2cc(Br)ccc2O)N2CCCC2)cc1 32801377 PKDNJAYKJSOACN-GOSISDBHSA-N 346.268 4.648 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35040385 ZWIPKLWYSAKQHP-LFIBNONCSA-N 343.448 4.794 10 40 EJCB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Cl)cc1 98064511 ARAFTWAUKZBTIM-NTEUORMPSA-N 349.839 4.885 10 40 EJCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cccc(Br)c1 225326757 CFDMETVICFYGJB-UHFFFAOYSA-N 346.146 4.602 10 40 EJCB COC(=O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 226743323 ZIYUWIYTABGBFB-FHSNZYRGSA-N 339.822 4.953 10 40 EJCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 408939451 AUQNCEXHHXIWQX-UHFFFAOYSA-N 349.430 4.869 10 40 EJCB COc1ccc2ccc(O)c(CN(C)Cc3ccccc3Cl)c2c1 58160810 HEFDFJKDLDGGMK-UHFFFAOYSA-N 341.838 4.839 10 40 EJCB CC[C@H](C)n1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 33407123 SRJCCRPYIWFMNV-KPENOIPVSA-N 344.505 4.833 10 40 EJCB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 227148129 INENTIIZIBXXEQ-ZRDIBKRKSA-N 338.794 4.834 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 5863278 ATOAZJRAIGNCQX-YRNVUSSQSA-N 332.277 4.605 10 40 EJCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1 60316 WWNIPGDEZQWGPA-RCCKNPSSSA-N 347.462 4.647 10 40 EJCB Cc1cc(-c2cc(N)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F 3197552 ILGKDQLZJKHZPP-UHFFFAOYSA-N 346.409 4.668 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(C)c2)c2ccccc21 409109796 LQWGMXUFFCPSOO-SILNSSARSA-N 346.474 4.892 10 40 EJCB Cc1ccccc1/N=N/c1ccc(NC(=O)CCC(=O)O)cc1C 101412823 CUXZGIVPWPTZLZ-QZQOTICOSA-N 325.368 4.522 10 40 EJCB CCOc1ccccc1/N=N\c1ccc2oc(=O)c(C(C)=O)cc2c1 104290544 XGYUEUZCLNDELL-MRCUWXFGSA-N 336.347 4.810 10 40 EJCB CCOc1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 4959571 OUPOBTJOBQFJHU-ZWOKBUDYSA-N 349.430 4.698 10 40 EJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 12779287 XJWXOIVMILAIKZ-IBGZPJMESA-N 336.435 4.506 10 40 EJCB Cc1cccc(/N=N/c2c(C)nn(C(=O)c3ccc(O)cc3)c2C)c1 17192605 LNAFQAIKISJKDO-QZQOTICOSA-N 334.379 4.618 10 40 EJCB CC(C)n1cc(CN(Cc2ccccc2O)C2CCCCC2)cn1 95453776 SNIRQSVXQQUDJE-UHFFFAOYSA-N 327.472 4.505 10 40 EJCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 408773249 UOIZWLSHYYVYLP-LFIBNONCSA-N 340.810 4.545 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1509887 FWJDZWZHOLTFIH-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB COc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c2ccccc12 5210566 POEVDVUGSKDMRB-VHEBQXMUSA-N 342.376 4.511 10 40 EJCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 409347783 NJZMGFGTHYFAQL-XNTDXEJSSA-N 343.498 4.814 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 5374523 DUUJQIUGOMOOEB-JLGKKPIHSA-N 341.457 4.798 10 40 EJCB COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1OC 409151934 CSWPWTAKPOLUDQ-BIENJYKASA-N 325.383 4.669 10 40 EJCB O=c1oc2ccc(Cl)cc2nc1/C=C(\O)c1ccc(Cl)cc1 102881481 FTIVWMPEPFNIPZ-ZSOIEALJSA-N 334.158 4.551 10 40 EJCB COc1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4320913 QNQQHSHKNJNFBW-IQUTYRLHSA-N 340.354 4.569 10 40 EJCB Oc1ccc2ccccc2c1CN1CCC(OCc2ccccc2)CC1 40019941 MADAYTJYAGJOBY-UHFFFAOYSA-N 347.458 4.727 10 40 EJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1Nc1ccccc1 970074 NBNMJEGFZPDVOC-UVTDQMKNSA-N 346.864 4.568 10 40 EJCB CC[C@H](Nc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1O 72281438 LVELUDDXJAGQJI-AWEZNQCLSA-N 339.464 4.757 10 40 EJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC)cc1)[C@H]1CC=C[C@@H]21 408736280 PBISAXQPYPUEOB-UWVAXJGDSA-N 349.430 4.698 10 40 EJCB O=C1/C(=C\c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 4092945 ZAWHZHUTFLGCIL-HKWRFOASSA-N 342.373 4.660 10 40 EJCB CCc1ccc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)cc1 5373168 ZNWSUSPOEYXHIP-AQTBWJFISA-N 336.460 4.894 10 40 EJCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C/c1ccc(F)cc1 6132493 YWZJMOKISDNVOO-RIYZIHGNSA-N 332.787 4.562 10 40 EJCB Cc1ccc(C2=C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)cc1C 4713893 YXJBUKRFEBQYMZ-RQZCQDPDSA-N 335.359 4.501 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5371164 SPVYMEFHPWYMSN-ATVHPVEESA-N 339.485 4.963 10 40 EJCB Oc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2)C1 13121764 GAPRSYVKBMTILY-ZDUSSCGKSA-N 341.625 4.791 10 40 EJCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1CCCCC1 18142838 KZXGCTNWMCILSX-YBEGLDIGSA-N 342.489 4.702 10 40 EJCB C[n+]1ccccc1/C=C/c1cn(Cc2ccccc2F)c2ccccc12 4933001 MYBDDVBVLOEKGN-UHFFFAOYSA-N 343.425 4.824 10 40 EJCB CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)CCC2 6209192 PGUIFIAHWMTTMY-UHFFFAOYSA-N 335.369 4.532 10 40 EJCB Cc1cc(O)c(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(C)C 63126092 FTXIGJPRYUEMAT-VGSWGCGISA-N 339.479 4.786 10 40 EJCB Cc1cc(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)ccc1O 4804139 YQPOGCIJDWNLDG-VHEBQXMUSA-N 342.376 4.516 10 40 EJCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 5738357 FYRNGNXEXDIYMC-VBHSOAQHSA-N 340.354 4.569 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 226853259 HZVZATWGHAUUHV-SXGZJXTBSA-N 336.391 4.820 10 40 EJCB Nc1ccc(N=Nc2ccc([N+](=O)Nc3ccc(N)cc3)cc2)cc1 368053644 BADICAJWFOICOE-UHFFFAOYSA-N 333.375 4.704 10 40 EJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 409173271 IBFKCSHNQZVCFC-HBUWYVDXSA-N 339.822 4.953 10 40 EJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2443632 HZRAXYWNEKCZJJ-IEMQHYRPSA-N 343.448 4.788 10 40 EJCB CCOc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409153069 CMDPIPYTXDWRQR-TYILLQQXSA-N 335.403 4.610 10 40 EJCB Cc1cccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)c1C 6780872 AWNDKURRLCGDHL-UHFFFAOYSA-N 346.430 4.532 10 40 EJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 25563220 OSXPYIYSHKZFNM-UHFFFAOYSA-N 337.448 4.680 10 40 EJCB CCOc1ccc([C@H](NC(=O)CC)c2c(O)ccc3ccccc23)cc1 286335 NUGHKZGJNPGVMG-QFIPXVFZSA-N 349.430 4.560 10 40 EJCB N=C(N)c1ccc(/N=N\c2c(O)ccc3c2[nH]c2ccccc23)cc1 13099533 NKCSZKQZGVWLRM-VHXPQNKSSA-N 329.363 4.726 10 40 EJCB in-vitro CCOc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4959548 VJPQKAVPYLXHQF-FCEWJHQRSA-N 336.391 4.820 10 40 EJCB Cc1ccnc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)c1 13062711 DGZVJIWHPPXOQV-LJQANCHMSA-N 347.443 4.907 10 40 EJCB CCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32593975 OVTKVRLWMBNSAU-XNTDXEJSSA-N 347.436 4.697 10 40 EJCB CCCCN1c2cc(OC)c(CNC(C)C)cc2C(C)=CC1(C)C 223823280 GLJAPSTVPDDHSJ-UHFFFAOYSA-N 330.516 4.995 10 40 EJCB O=C1c2ccccc2C(=O)c2c(S/C(Cl)=C\Cl)cccc21 4701217 MLOALLBQWLSMMF-JYRVWZFOSA-N 335.211 4.831 10 40 EJCB Cc1csc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 6831961 SLMLSLHANWVHND-UHFFFAOYSA-N 342.489 4.834 10 40 EJCB CC1CCN([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1 21486643 XLFXWWWSADVIOV-IBGZPJMESA-N 338.476 4.823 10 40 EJCB CC(C)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1446644 WCAGDHMBDJUAQB-SDQBBNPISA-N 346.304 4.851 10 40 EJCB CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 37363267 QNMIQCRDDJEMBW-KRWDZBQOSA-N 346.268 4.625 10 40 EJCB Cc1ccc(C)c(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 226241804 ZRRBPDMNBLOHJZ-UHFFFAOYSA-N 339.439 4.814 10 40 EJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(C)c(C)c1 6556658 YAMPWZAJSCSJHV-XDHOZWIPSA-N 333.435 4.639 10 40 EJCB CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c[nH]c12 409123717 HRBLECGGKODXBZ-NVNXTCNLSA-N 344.505 4.588 10 40 EJCB CCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 409352079 WAALJYJMUQCUMP-XFFZJAGNSA-N 332.277 4.605 10 40 EJCB O=S(=O)(O)c1ccc(/N=N/Sc2ccc3ccccc3c2)cc1 1668267 WNWUGQHPIVNCRT-ISLYRVAYSA-N 344.417 4.878 10 40 EJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 2578379 JGVZQZYRGOFCJB-VKJFTORMSA-N 325.795 4.865 10 40 EJCB CCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 20244030 SKKBURBZNPEAKW-HMMYKYKNSA-N 334.419 4.672 10 40 EJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1 409166256 CJFOSSLQUHSWDM-VBQJREDUSA-N 328.318 4.700 10 40 EJCB CCCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 13060544 NDSBDFNYNAKJOB-XDJHFCHBSA-N 334.419 4.672 10 40 EJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 59267069 BKTOQYXUAMNDDY-DBXWQHBBSA-N 349.430 4.698 10 40 EJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 5371097 NDKJYLPVQOOOOZ-VBKFSLOCSA-N 325.458 4.655 10 40 EJCB CC(=C\c1ccco1)/C=C1/SC(=S)N(Cc2ccccc2)C1=O 6261737 WMPAZRUDGIBDSC-WFVPKAAFSA-N 341.457 4.627 10 40 EJCB Oc1c([C@@H](Nc2nccs2)c2cccs2)ccc2cccnc12 141250 HPWSXGGWTUPJSA-OAHLLOKOSA-N 339.445 4.660 10 40 EJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 1244766 LFCOWLKXFDUELZ-GDNBJRDFSA-N 329.421 4.540 10 40 EJCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1 5283978 QOLADTZETYAJBG-CYVLTUHYSA-N 347.462 4.585 10 40 EJCB CC1=C(C)C[C@H]2C(=O)c3c(c(O)c4ccccc4c3Cl)C(=O)[C@H]2C1 104234413 LCUHMZGUYAPOCX-KGLIPLIRSA-N 340.806 4.940 10 40 EJCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 33744444 WCMULIPDJGIOHP-OVZMXSCWSA-N 346.814 4.764 10 40 EJCB CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4959541 ILAAWHTXDIGTIR-ZWOKBUDYSA-N 336.391 4.820 10 40 EJCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc2ccccc2c1 5552808 GSRDEVGQZFKAEA-WJDWOHSUSA-N 336.441 4.574 10 40 EJCB CN(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 57211623 UQOPUGXBYMSITD-UHFFFAOYSA-N 342.446 4.704 10 40 EJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)NC3CCCCC3)cc2)C1 225757242 UAXXDFNHLBFJON-IAGOWNOFSA-N 343.515 4.616 10 40 EJCB Cc1ccc(Cl)cc1Nc1nc(-c2ccc(O)c(O)c2)cs1 4550173 LVXQHIOMQILKNP-UHFFFAOYSA-N 332.812 4.927 10 40 EJCB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2F)SC1=S 35040313 SXAYXFUVXPBITH-LFIBNONCSA-N 343.448 4.794 10 40 EJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S 1189327 ZSAIEANMWVDUGX-UXEDPAHQSA-N 331.487 4.711 10 40 EJCB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 19737427 YCLVBFQSWVXAOH-HDMKZQKVSA-N 341.252 4.858 10 40 EJCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1F 408722924 OMMVTINSYSCHNM-LCYFTJDESA-N 345.167 4.570 10 40 EJCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(Br)cc1 88868 CBFDWMNLQPPCNJ-LCYFTJDESA-N 345.167 4.570 10 40 EJCB Cc1cc(C)n(CCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1 24370742 VQJATKNLOFXOCK-GHVJWSGMSA-N 347.422 4.944 10 40 EJCB Cc1cccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)c1 226241627 LISFDGIOOFOZPQ-MRXNPFEDSA-N 339.439 4.894 10 40 EJCB CCCCOc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 1772715115 CKQGTGVNQBGWGS-UHFFFAOYSA-N 334.397 4.528 10 40 EJCB Cc1cccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3)c2C)c1C 6780863 WEPZVISHELFBPI-UHFFFAOYSA-N 346.430 4.532 10 40 EJCB