smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(O)c1 12576942 UYNULJAMBFWEFB-ZSOIEALJSA-N 329.402 3.504 10 50 EHCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(C2CCCCC2)C1=O 16524089 HDLWWUVFFITYKA-YPKPFQOOSA-N 344.461 3.543 10 50 EHCA CN(C)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55543591 OYKNHJHXBSCCIU-UHFFFAOYSA-N 329.875 3.728 10 50 EHCA Oc1c([C@@H](Nc2ccccn2)c2ccncc2)ccc2cccnc12 86450 GYRDVQBCFXEYGD-SFHVURJKSA-N 328.375 3.932 10 50 EHCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S 1907699 RBQYTRMRAMKNBT-ACCUITESSA-N 335.450 3.533 10 50 EHCA O=[N+]([O-])c1cc(/C=C2/SC(=S)N=C2O)ccc1N1CCCC1 4054383 RYCKJICZBAYPJV-XYOKQWHBSA-N 335.410 3.524 10 50 EHCA O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1 985478 DJSRQTYEPJPZPI-RVDMUPIBSA-N 326.446 3.957 10 50 EHCA CCOc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1O)NCC2 19831623 GBOYOTBDUIXBCB-SFHVURJKSA-N 333.815 3.688 10 50 EHCA CCOc1cccc(CN(CCOC)Cc2sccc2C)c1O 55242355 AQDRJRKSEMSLQG-UHFFFAOYSA-N 335.469 3.809 10 50 EHCA COc1ccc(O)c(CN[C@@H]2CCCN(CC3CCCCC3)C2)c1 23374038 LZSQEVMLRKLPFG-GOSISDBHSA-N 332.488 3.535 10 50 EHCA CCO[C@@H](CCNC(=O)c1ccc(/N=N/C(N)=O)cc1)C1CCCC1 1875268809 FABWAMNHVAFIFT-YWBAYFEHSA-N 346.431 3.564 10 50 EHCA CCN(CC)c1ccc([C@H]2NC[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 183610 PKLBKECPTTUKNK-OALUTQOASA-N 341.411 3.801 10 50 EHCA CCCC1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 106959 ZKXJBIZGCZVYLD-GPHIBNKYSA-N 337.408 3.587 10 50 EHCA CSc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 13673628 RYBBWSFMIVBLRK-UHFFFAOYSA-N 326.465 3.939 10 50 EHCA CCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5503607 WRIDJPGVZDNUCY-NTEUORMPSA-N 337.466 3.705 10 50 EHCA C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 71754865 RCEZECQNFPRXFS-MRXNPFEDSA-N 344.480 3.716 10 50 EHCA CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(C(=O)OC)=C1C 313158 WQGKLYOXXBWXFA-FLIBITNWSA-N 340.206 3.686 10 50 EHCA COc1ccccc1N[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 1232453 RJLAZSVFARJSTF-HNNXBMFYSA-N 328.393 3.642 10 50 EHCA Oc1ccc2ccccc2c1CNc1ccn(CCc2ccncc2)n1 151528557 GIWPAFRMNHWNFQ-UHFFFAOYSA-N 344.418 3.992 10 50 EHCA COc1ccc(C2=C/C(=C/c3ccccc3OC)C(=O)O2)c(OC)c1 200023 JCLJZISPZAXEFU-UVTDQMKNSA-N 338.359 3.694 10 50 EHCA Cc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)o1 2829932 QLYYBGQYQIWCTK-MDWZMJQESA-N 344.754 3.744 10 50 EHCA COc1ccccc1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 2878103 HARQWJQPOOPMQM-INIZCTEOSA-N 329.440 3.845 10 50 EHCA COc1cccc(O)c1CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12458896 BBMPWBAUAHDDOP-CQSZACIVSA-N 348.393 3.756 10 50 EHCA CC(=O)N1CC[C@@H](NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 152963020 IDEOMNIXJIFJDZ-QGZVFWFLSA-N 346.515 3.698 10 50 EHCA CC(C)CCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1 236721076 MGZWELYPRVMZQR-UHFFFAOYSA-N 337.467 3.812 10 50 EHCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(O)cc1 16310446 YQSDYUUZZXFCLT-ZROIWOOFSA-N 329.402 3.504 10 50 EHCA COc1ccc(OC)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c1 4894618 HIWIQHPIOKFNBO-ZSOIEALJSA-N 337.466 3.561 10 50 EHCA CC(=O)Nc1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 5730137 DJNOIDGQRCWGSS-UAFUQJIBSA-N 335.367 3.520 10 50 EHCA CCOC(=O)CC1(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O 290885 FYCLBPACFAPHFQ-UHFFFAOYSA-N 336.387 3.556 10 50 EHCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1CCc1ccccc1 1455264 YHXJSLLNANMGLB-VBKFSLOCSA-N 341.457 3.836 10 50 EHCA Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=N)NC3=O)c2C)c1 5027259 CXVMCOVMLYCBSY-SXGWCWSVSA-N 325.437 3.850 10 50 EHCA CN1C(=O)N=C(O)/C(=C\c2c3ccccc3cc3ccccc23)C1=O 8971586 BHDMKTJUZFKLQH-GZTJUZNOSA-N 330.343 3.925 10 50 EHCA COc1cccc(CN2CCC[C@H](c3[nH]ncc3C(C)C)C2)c1O 20773898 RAGULENTXJTUKK-AWEZNQCLSA-N 329.444 3.627 10 50 EHCA O=C(c1cccs1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 4292073 FZEFXBSMKLLKED-INIZCTEOSA-N 349.415 3.840 10 50 EHCA CCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 2707140 WRIDJPGVZDNUCY-ZROIWOOFSA-N 337.466 3.705 10 50 EHCA CCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O 55292139 STAIPRVOSJJZGU-UHFFFAOYSA-N 346.858 3.767 10 50 EHCA C[C@H](NCc1cc(F)ccc1O)c1ccc(N2CCCC2=O)cc1 1875284614 BHIXUHGDOJGBKQ-ZDUSSCGKSA-N 328.387 3.509 10 50 EHCA Cc1c([C@@H](C)NCc2ccc3c(c2)CCO3)cnn1-c1ccccc1 12475699 YASIJCCWNFEJKJ-OAHLLOKOSA-N 333.435 3.966 10 50 EHCA COc1ccc(N2CCC(N[C@@H](C)CCCC(C)(C)O)CC2)cc1 20779009 LHVQWIHMGOYYNC-INIZCTEOSA-N 334.504 3.583 10 50 EHCA O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccnc1 1152879 VNMNBEMENCYJOS-OVCLIPMQSA-N 337.429 3.969 10 50 EHCA COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2240143 SYNXTXRNPBVZBH-XFXZXTDPSA-N 327.858 3.578 10 50 EHCA Cc1ccc(C)n1-c1ccc(N2CCOCC2)c(Br)c1 459872 CIMUXUDOSKCSLQ-UHFFFAOYSA-N 335.245 3.693 10 50 EHCA O=C1c2ccccc2C(=O)c2c(O)c(Oc3ccccc3)cc(O)c21 4976044 YWVVRPJWXVQJNX-UHFFFAOYSA-N 332.311 3.666 10 50 EHCA Oc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1 19288068 IORFJSWONDTTNA-UHFFFAOYSA-N 332.447 3.863 10 50 EHCA O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1Cl 4826767 HLHRDMFBPTZTPM-UHFFFAOYSA-N 326.135 3.650 10 50 EHCA COc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1OC 13547676 NYVZRBBHPIUTQS-VBKFSLOCSA-N 346.452 3.550 10 50 EHCA CC[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O 155870047 BFEOHTMAOUQYPU-FFZOFVMBSA-N 339.483 3.739 10 50 EHCA CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=S 4859756 KSQICSADHFQXGX-WEVVVXLNSA-N 334.249 3.920 10 50 EHCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 22781937 PGCYGVVUSLGERP-AUWJEWJLSA-N 340.766 3.875 10 50 EHCA COC1CCN(c2ccc(CN(C)CCC3CCOCC3)cc2)CC1 296797886 OUKNRQJEHRXCHC-UHFFFAOYSA-N 346.515 3.550 10 50 EHCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccs1 4151782 NJRWCOMKYRSEOF-UHFFFAOYSA-N 333.368 3.776 10 50 EHCA CCn1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 78999 ALYNVKDIACQTRX-UHFFFAOYSA-N 341.407 3.907 10 50 EHCA C[C@@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 152245518 BSGWBGNZJCWZOF-KDOFPFPSSA-N 344.430 3.984 10 50 EHCA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(C)cc1 13616133 LCNXKLRAJFNVJZ-UYRXBGFRSA-N 347.414 3.868 10 50 EHCA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 613626 NOBALSNSCSXDIN-LJQANCHMSA-N 339.414 3.979 10 50 EHCA O=C1c2ccccc2-c2onc3c(Br)cc(N4CC4)c1c23 2895668 CNDVXLXJVIAWQM-UHFFFAOYSA-N 341.164 3.622 10 50 EHCA Cc1ncsc1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 952964143 MQYXZYKWRPTPFJ-UHFFFAOYSA-N 341.524 3.741 10 50 EHCA CC(C)[C@H](NCc1cc(Cl)cc(F)c1O)c1nnc2ccccn12 1875284733 JWBZPWFFOUTZBN-HNNXBMFYSA-N 348.809 3.714 10 50 EHCA COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccs1 88575 OENYAGZGZMOEBU-WJDWOHSUSA-N 339.416 3.934 10 50 EHCA CCOC(=O)CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 198838 CWZOAGGLRTVFBL-UHFFFAOYSA-N 342.778 3.610 10 50 EHCA CN(C1=NC(=O)/C(=C\c2ccc(F)cc2)S1)c1ccc(O)cc1 4464208 IKWJEOZZUWKNSR-XNTDXEJSSA-N 328.368 3.638 10 50 EHCA Cc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c([N+](=O)[O-])c1 2772565 ZNEALITWLZUITR-QPEQYQDCSA-N 346.389 3.652 10 50 EHCA Cc1nc(CNCCc2c(C)n3c4c(cccc24)CCC3)n(C)c1C 952873162 WBDFPHMERUMCAX-UHFFFAOYSA-N 336.483 3.579 10 50 EHCA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)O)C1=O 4837502 CEKGMWZDBWCZMS-NCPBJGSTSA-N 347.461 3.699 10 50 EHCA COc1cccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)c1 16677541 FNITXGVQDJWRMC-PTNGSMBKSA-N 342.445 3.924 10 50 EHCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccccc1 19530260 YBYSZNOMGYWBBK-MOPGFXCFSA-N 345.398 3.923 10 50 EHCA COc1ccc(CN2CCC[C@H](Nc3cccc(F)c3)C2)c(O)c1 12001957 WVRBJYZUBLXYPB-KRWDZBQOSA-N 330.403 3.616 10 50 EHCA O[C@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 17191408 QFYGBMHSGIOUDT-SFHVURJKSA-N 345.875 3.511 10 50 EHCA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 1202837 CVCZLYCVMGMLPQ-MDWZMJQESA-N 346.389 3.589 10 50 EHCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Cl)cc1O 15016441 HBFIBGVUJXWCIT-ZSOIEALJSA-N 342.782 3.860 10 50 EHCA Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 1619831 GAAKALASJNGQKD-UHFFFAOYSA-N 349.400 3.652 10 50 EHCA biogenic,in-vitro C/C(=C1/SC(=S)N(C)C1=O)c1cccc(Br)c1 1164406 ZHCAKLFANKEWRN-YFHOEESVSA-N 328.256 3.670 10 50 EHCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccccc1[N+](=O)[O-] 442214 XRVDPORMEADFSF-NTEUORMPSA-N 343.339 3.816 10 50 EHCA COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c1 19809236 JXXRAFDWPWABHM-LDADJPATSA-N 336.391 3.818 10 50 EHCA O=C(O)c1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 13388278 NOUSLCHOIWJJPG-GXDHUFHOSA-N 341.413 3.791 10 50 EHCA CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@H]1c1cccs1 252489546 JTDHXYNPMKQGNS-AWEZNQCLSA-N 330.409 3.550 10 50 EHCA c1ccc([C@H]2CCN(Cc3ncoc3C3CNC3)c3ccccc32)cc1 2325801011 QOPISHCDEDGFJW-GOSISDBHSA-N 345.446 3.904 10 50 EHCA CCC(=O)N[C@@H](c1ccccc1OC)c1ccc2cccnc2c1O 102601 YNEFSMCIIRWGRL-IBGZPJMESA-N 336.391 3.565 10 50 EHCA Oc1ccc(-c2nc3ccccc3s2)cc1CNC[C@@H]1CCCO1 299785676 LETZDBAKPRAEMR-HNNXBMFYSA-N 340.448 3.938 10 50 EHCA O=C(O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 12404727 NOOGFRZLFMBLBG-DAYGRLMNSA-N 335.359 3.910 10 50 EHCA CCCCC1=NN2C(=N)/C(=C/c3ccccc3C)C(=O)N=C2S1 22241590 YAMHYVXCBRKRPM-JADYNCEHSA-N 326.425 3.804 10 50 EHCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(F)F 20607907 UPNKNPDHEMDUNC-XFFZJAGNSA-N 345.392 3.518 10 50 EHCA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1C 15011049 NENUUEDJHBBUQS-DHDCSXOGSA-N 345.445 3.998 10 50 EHCA Oc1ccc(-c2ccccn2)cc1CN1CCN(c2ccccc2)CC1 64006533 VVISMFJDJXTBKM-UHFFFAOYSA-N 345.446 3.776 10 50 EHCA COc1ccccc1N[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O 1318630 IHMDDBNXKMBZQK-HNNXBMFYSA-N 328.393 3.642 10 50 EHCA C[C@@H]1CCCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 2549597 JZGHSGDMSTWICS-CYBMUJFWSA-N 327.424 3.609 10 50 EHCA c1cc2c(cc1N1CCC(NCc3cc(C4CC4)on3)CC1)CCC2 1506399867 KFKZHKOUFZIEDA-UHFFFAOYSA-N 337.467 3.799 10 50 EHCA CN(C)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 55544022 GAYJHXIOHIAVSX-UHFFFAOYSA-N 329.875 3.728 10 50 EHCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OC(C)C 1189101 JYZUIZIAIPOIDF-IZZDOVSWSA-N 343.857 3.625 10 50 EHCA O=C1/C(=C/c2ccccc2O)SC(=S)N1CCc1ccccc1 1161401 XVQTWGOXRGCDKD-VBKFSLOCSA-N 341.457 3.836 10 50 EHCA CC1(C)OC(=O)C(=Cc2ccc(Nc3ccc(Cl)cc3)o2)C(=O)O1 2597183 JLWZVHHLBOLWHX-UHFFFAOYSA-N 347.754 3.896 10 50 EHCA CN1CC[C@H](COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)C1 170610742 RJSRUIOXMQOCBN-PXKHIBQASA-N 339.395 3.916 10 50 EHCA COc1cccc(O)c1CN1CCC[C@H](c2[nH]ncc2CC(C)C)C1 11789891 RGOOQQHEGYTBLD-HNNXBMFYSA-N 343.471 3.702 10 50 EHCA COc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1 978020 LCSDFJDUGBQUAC-DHDCSXOGSA-N 343.429 3.807 10 50 EHCA Cc1ccccc1/C=C1/C(=N)N2N=C(c3ccccc3)SC2=NC1=O 15800222 LQUMHKUEXYWIMS-GQECEEOXSA-N 346.415 3.662 10 50 EHCA COC(=O)c1ccccc1/N=N/Nc1ccc(OC)cc1[N+](=O)[O-] 4952263 OXBWNRHDULQKAH-UHFFFAOYSA-N 330.300 3.501 10 50 EHCA COc1ccc(N2CCC(N[C@H](C)CCCC(C)(C)O)CC2)cc1 20779013 LHVQWIHMGOYYNC-MRXNPFEDSA-N 334.504 3.583 10 50 EHCA COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc1 19335792 USRXTTQEZVWJKC-JOCHJYFZSA-N 349.430 3.976 10 50 EHCA O=C(COc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1 62225325 QOUDAOUNYVGIGZ-UHFFFAOYSA-N 342.414 3.511 10 50 EHCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccn1 432630 VHHFGVUXQSIXEL-XFXZXTDPSA-N 328.165 3.825 10 50 EHCA COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1O 13602686 PXFWNEAJPLKPSA-UVTDQMKNSA-N 349.477 3.935 10 50 EHCA Nc1ccc(Oc2c(Cl)cc(Cl)cc2S(=O)(=O)O)cc1 2165115 YZNUTRRIGHLWIP-UHFFFAOYSA-N 334.180 3.615 10 50 EHCA CCOc1ccccc1[C@H](c1cc2c(cc1O)OCO2)N1CCCC1 6357361 JIPHYNLAMLINND-HXUWFJFHSA-N 341.407 3.705 10 50 EHCA CCCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2672933 BGBAKTONJQNQDD-YPKPFQOOSA-N 346.477 3.790 10 50 EHCA C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccc1O 72410916 KKDNREFLBZHRSJ-AWEZNQCLSA-N 327.424 3.587 10 50 EHCA Cc1ccc([C@H]2C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 407807 RAGXUGCDQGRNGQ-MOPGFXCFSA-N 333.439 3.799 10 50 EHCA COc1ccccc1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 2878102 HARQWJQPOOPMQM-MRXNPFEDSA-N 329.440 3.845 10 50 EHCA COCc1cc(C)nc2sc(C(=O)Oc3ccccc3)c(N)c12 95226 MDVDIYSEYMGNSU-UHFFFAOYSA-N 328.393 3.553 10 50 EHCA COc1ccc(OC)c(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)c1 432534 OCCCNNQGLLKEQZ-LCYFTJDESA-N 326.323 3.824 10 50 EHCA COc1cccc(O)c1CN1CCC[C@@H](c2[nH]ncc2CC(C)C)C1 11789890 RGOOQQHEGYTBLD-OAHLLOKOSA-N 343.471 3.702 10 50 EHCA CN(C)P(=N/N=N/c1nc2ccccc2s1)(N(C)C)N(C)C 4381155 QUSDOKRWEQTRBX-FOCLMDBBSA-N 339.409 3.926 10 50 EHCA C[C@H](O[C@@H]1CC(=O)C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12)c1ccccc1 252428121 QPZYNQGSSNBJQS-BBLUDWJGSA-N 348.398 3.807 10 50 EHCA Cc1ccc(C2=NC(=O)/C(=C3\C(=O)Nc4c(C)cc(C)cc43)S2)cc1 19731806 USHNXOODGOJWPK-BMRADRMJSA-N 348.427 3.995 10 50 EHCA O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(Cl)cc1 134747 JVZCURGZQQSYSA-UHFFFAOYSA-N 333.796 4.000 10 50 EHCA COc1ccccc1/C=C1\C(=O)N(c2cccc(C)c2)C(=O)N=C1O 23549747 ZMTNTLOFUPYDEK-PTNGSMBKSA-N 336.347 3.510 10 50 EHCA COc1ccc(CN[C@@H]2CCCN(Cc3cccs3)C2)cc1C 952972540 HAYRQWYLRIVTON-QGZVFWFLSA-N 330.497 3.819 10 50 EHCA COc1ccc(N2CCN(Cc3coc(C(C)C)n3)CC2(C)C)cc1 97698687 BEPOAPBZYODMBA-UHFFFAOYSA-N 343.471 3.907 10 50 EHCA COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(C)s3)C2=O)cc1 310461 MPMWIKCABYZIEV-YBEGLDIGSA-N 340.404 3.649 10 50 EHCA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccco1 199283 WLNQFJPCYIRUTP-RAXLEYEMSA-N 343.766 3.810 10 50 EHCA Cc1cc(C(=O)NCc2ccc(O)cc2O)c2cccc(Cl)c2n1 215109355 ZIRKWFNCMQRDHV-UHFFFAOYSA-N 342.782 3.538 10 50 EHCA CC1(c2ccccc2)OC(=O)C(=Cc2c[nH]c3ccccc23)C(=O)O1 200178 KDCYFGWLLYEWFN-UHFFFAOYSA-N 333.343 3.524 10 50 EHCA CCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6715515 USAKIHNYJSNIMP-UHFFFAOYSA-N 339.439 3.612 10 50 EHCA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccccc1 13476494 HRAFGHWKNFRMCY-NTEUORMPSA-N 329.402 3.504 10 50 EHCA CC[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccncc1 1506409911 VBKJLOJHLFKJFX-SFHVURJKSA-N 339.439 3.520 10 50 EHCA CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc(OC)c1O 6702831 RMCTWUIJPWTKFC-KRWDZBQOSA-N 338.407 3.797 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 215865 NOLQRBMUAADLKV-UHFFFAOYSA-N 345.830 3.703 10 50 EHCA COc1cccc(O)c1CN(Cc1ccsc1)C[C@H]1CCCO1 55167457 SOPCMPJJFVBCLW-OAHLLOKOSA-N 333.453 3.644 10 50 EHCA CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 4795117 TYSDPNSLIMQIPH-GXDHUFHOSA-N 337.466 3.705 10 50 EHCA CCOc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cccc1OC 15658908 OTFUDDXYSXCGFI-LGMDPLHJSA-N 336.391 3.900 10 50 EHCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)cn1 15930695 XLQBFYGUFASCNG-ZROIWOOFSA-N 330.750 3.593 10 50 EHCA COc1ccc(N2CCN(CC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1 100413102 SFECBBSOYDOZLE-FXAWDEMLSA-N 326.484 3.810 10 50 EHCA CN(C)c1ccc(/C=C/CN2CCN(c3ccc(F)cc3)CC2)cc1 217104 BXGJULPKSFOLEA-ONEGZZNKSA-N 339.458 3.727 10 50 EHCA Nc1ccc(CC(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 170677911 KTQGVFCSZRERRX-UHFFFAOYSA-N 328.378 3.925 10 50 EHCA C[C@@H](NCc1cc(F)ccc1O)c1ccc(N2CCCC2=O)cc1 1875284613 BHIXUHGDOJGBKQ-CYBMUJFWSA-N 328.387 3.509 10 50 EHCA Cc1c(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc2n1C 3894044 IGJSPTMMMVCANJ-OUKQBFOZSA-N 329.403 3.904 10 50 EHCA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(C)c2C)cc1 361236 DGZJHWPCRFNLSW-UHFFFAOYSA-N 325.817 3.772 10 50 EHCA O=c1nc(/C=C/c2ccc(N3CCCC3)cc2)cc(C(F)(F)F)[nH]1 4082554 QVILAMQEWHPVDX-ZZXKWVIFSA-N 335.329 3.559 10 50 EHCA COc1cccc(O)c1CN1CCC[C@@H](Nc2cccc(F)c2)C1 14957542 WAGCCCQWELDCPB-MRXNPFEDSA-N 330.403 3.616 10 50 EHCA COc1cc2c(cc1OC)CN(Cc1cc(Cl)ccc1O)CC2 4987727 CLDVXNJVCMMRDH-UHFFFAOYSA-N 333.815 3.621 10 50 EHCA CCOc1ccc(CN(Cc2c(O)cccc2OC)C2CC2)cc1 55325565 LOMNNSPWQRIAFR-UHFFFAOYSA-N 327.424 3.964 10 50 EHCA C[C@H]1C[C@@H](NCCc2ccc3c[nH]nc3c2)c2c(O)ccc(F)c21 793576013 XBYKZFVZGYMSKO-MEDUHNTESA-N 325.387 3.788 10 50 EHCA COc1cccc(O)c1CN1CCC[C@H](C(=O)c2sccc2C)C1 12302262 WRHNTUPNCQEWMM-AWEZNQCLSA-N 345.464 3.866 10 50 EHCA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@H]31 229968492 XIFMNZHDPSPECA-KGPAQONLSA-N 327.811 3.946 10 50 EHCA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(C(=O)O)c1 1857524825 SAJLYNWOIPSCCE-UHFFFAOYSA-N 349.390 3.720 10 50 EHCA COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1O 13602683 VIYBESIKERATCI-GDNBJRDFSA-N 349.477 3.935 10 50 EHCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc2ncccc12 16102411 DCKSGMLWQWWXOE-LGMDPLHJSA-N 328.375 3.953 10 50 EHCA COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)ccc1O 328599417 RQDBLPWVCKPOMK-INIZCTEOSA-N 344.798 3.752 10 50 EHCA COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(C)C1=O 15011848 SZEFOVOCYRVIGR-RUDMXATFSA-N 334.249 3.833 10 50 EHCA COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCCC2)cc1 72115707 STXGXLULKIWEKF-UHFFFAOYSA-N 344.842 3.879 10 50 EHCA CC1(C)OC(=O)C(=CSc2ccc(Cl)cc2Cl)C(=O)O1 1404294 QTNKIUHHQFMJPM-UHFFFAOYSA-N 333.192 3.806 10 50 EHCA C[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccccc1O 72151373 SFDYUJMEYJVHHK-LBPRGKRZSA-N 337.427 3.900 10 50 EHCA CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 44942 JNELDABCUUKNLM-UHFFFAOYSA-N 338.359 3.710 10 50 EHCA CCOc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1 133621 XJRJJHQJROBKDB-UHFFFAOYSA-N 344.480 3.501 10 50 EHCA C/C(O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100092662 WYCWAKWVTHRFBE-PTNGSMBKSA-N 335.388 3.879 10 50 EHCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCCCC3)c12 252499794 SENCIPMBXUEAET-UHFFFAOYSA-N 325.364 3.948 10 50 EHCA biogenic CCCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@H]1c1cccs1 241173100 KGBUNQYKFFSVMB-HNNXBMFYSA-N 344.436 3.940 10 50 EHCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccc(C)cc1 223247471 HBOFWEILFZPKQI-BOPFTXTBSA-N 340.814 3.872 10 50 EHCA O=C(c1cccs1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 4292074 FZEFXBSMKLLKED-MRXNPFEDSA-N 349.415 3.840 10 50 EHCA CC1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 15723272 JMJADCXUIMSXIP-ZCGKYBKNSA-N 333.347 3.957 10 50 EHCA CCOC(=O)c1c(-c2ccccc2)oc2c1C(=O)c1ccccc1C2=O 340461 KUAHQNZYBKFZDR-UHFFFAOYSA-N 346.338 3.899 10 50 EHCA COC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)c(F)c1 225641748 QMFIYAKUKLIMNH-UHFFFAOYSA-N 327.714 3.723 10 50 EHCA COC(=O)c1ccccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 95940 CZVMJZSSGHFUMA-UHFFFAOYSA-N 349.386 3.948 10 50 EHCA CCc1ccc(-n2c(C)cc(/C=C3/SC(=N)NC3=O)c2C)cc1 23128341 UDEACKCCNLAKRE-MHWRWJLKSA-N 325.437 3.795 10 50 EHCA O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1c1ccccc1F 17160646 MKKQUOFAFVQDCS-CSKARUKUSA-N 332.381 3.559 10 50 EHCA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1 459381 XQYPPZGCZHVOBT-GDNBJRDFSA-N 343.766 3.810 10 50 EHCA CCN1/C(=C\C=C2/SC(=S)N(C)C2=O)Sc2ccccc21 1225219 MLLFSPQVPQRZIN-QRBCZBMESA-N 334.491 3.834 10 50 EHCA Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)cc1 1195128 GLMSHULJQBPZCX-OQLLNIDSSA-N 328.462 3.891 10 50 EHCA N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 4183511 FBCRTSMEGYAJJH-CKLXWILVSA-N 347.399 3.696 10 50 EHCA Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cnn1C 2798474 BGUPLCQLHDVTHY-KMHUVPDISA-N 343.477 3.691 10 50 EHCA Oc1ccc(-c2ccc(F)cc2)cc1CNCCCn1ccnc1 45373457 ZVCFJGDNNHVKNO-UHFFFAOYSA-N 325.387 3.575 10 50 EHCA CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 87295 UPLAQKIMKDWICQ-HNNXBMFYSA-N 330.771 3.802 10 50 EHCA COc1ccc(OC)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O 5249063 IYWHTWDKEMGICP-UHFFFAOYSA-N 337.158 3.786 10 50 EHCA Oc1ccccc1CN1CCc2[nH]cnc2[C@@H]1CCc1ccccc1 67919732 DYPFMQBPMZZKNV-IBGZPJMESA-N 333.435 3.848 10 50 EHCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1 112808 ULJVDCKOFDQMPM-DHDCSXOGSA-N 333.815 3.669 10 50 EHCA Cc1c([C@H](C)NCc2ccc3c(c2)CCO3)cnn1-c1ccccc1 12475701 YASIJCCWNFEJKJ-HNNXBMFYSA-N 333.435 3.966 10 50 EHCA COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3C)c2c1 5478566 ZVDNGRZRTGVRHF-JXMROGBWSA-N 331.375 3.594 10 50 EHCA O=C(Cc1ccc(O)c(O)c1)N[C@@H](CC1CC1)c1ccc(Cl)cc1 2325783211 CTFPBJNTOYBHGO-INIZCTEOSA-N 345.826 3.951 10 50 EHCA Nc1ccc(CC(=O)N2CCCC[C@H]2CCc2cccs2)cc1 952980208 JTBBPCQPJWTESL-KRWDZBQOSA-N 328.481 3.887 10 50 EHCA O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)c(Cl)c1 4695726 NBMZSCCCLAOHFR-UHFFFAOYSA-N 326.135 3.650 10 50 EHCA COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1OC 3902366 PUKQIDQVJKYYLC-CYBMUJFWSA-N 332.787 3.502 10 50 EHCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 450852 NIYDWUDKDCWRDV-ATVHPVEESA-N 348.333 3.547 10 50 EHCA O=C(O)CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1220166 SQKGWDGLNOGDIA-UVTDQMKNSA-N 343.429 3.516 10 50 EHCA CC[C@H](NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1O 156000851 NMHATJDQJLLEFO-SFHVURJKSA-N 325.456 3.805 10 50 EHCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(F)c1 4905099 FDOYNBGWJFZVKM-UHFFFAOYSA-N 345.329 3.853 10 50 EHCA COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(C)=O)cc1 542999 WDNLLVWWUFYGOQ-QGZVFWFLSA-N 344.798 3.752 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 386876 MDFCLUQXFTURQW-UHFFFAOYSA-N 345.830 3.703 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 6714921 OWNIKVALWKYCEN-UHFFFAOYSA-N 339.439 3.666 10 50 EHCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\C=C/c1ccccc1 13124908 UULJYRGUMUVTHQ-JVHYXRFZSA-N 332.359 3.747 10 50 EHCA CCCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13331717 XOWPNYSFJXWUIP-UHFFFAOYSA-N 338.451 3.610 10 50 EHCA O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1 1209210 JXRXGCSSYOEQGJ-WQLSENKSSA-N 346.389 3.589 10 50 EHCA CCN1C(=O)/C(=C\c2ccccc2Br)SC1=S 5008596 IDIQAAJSBJFKLX-JXMROGBWSA-N 328.256 3.670 10 50 EHCA Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(Cl)c2C)cc1 245107 KXDUESUWKNVBHO-UHFFFAOYSA-N 325.817 3.772 10 50 EHCA O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1 4151205 RISAHTSTFIWXOL-UHFFFAOYSA-N 341.388 3.921 10 50 EHCA Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2Cl)cc1 65406 MZLARZWVLAPYDN-UHFFFAOYSA-N 325.817 3.772 10 50 EHCA COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)cc1 516056 NAHZVHJMGYQDHI-UHFFFAOYSA-N 344.842 3.619 10 50 EHCA CCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 13758143 GJNLKGYKJRCXFP-SSZFMOIBSA-N 329.469 3.599 10 50 EHCA O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(Cl)cc1 5018285 RREMDCBQQJPGGL-ZSOIEALJSA-N 347.779 3.992 10 50 EHCA Cc1c([N+](=O)[O-])c2ccc(O)c(CN(C)C)c2n1-c1ccccc1 292269 FGZGOWHRLOCYLK-UHFFFAOYSA-N 325.368 3.614 10 50 EHCA C[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccccc1O 72151374 SFDYUJMEYJVHHK-GFCCVEGCSA-N 337.427 3.900 10 50 EHCA CCOc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1O)NCC2 19831622 GBOYOTBDUIXBCB-GOSISDBHSA-N 333.815 3.688 10 50 EHCA CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(C)cc2)SC1=S 2112764 DVGQMCROSJJBQF-JYRVWZFOSA-N 329.450 3.606 10 50 EHCA CC1CCN(Cc2cc(O)c(CN3CCC(C)CC3)cc2O)CC1 4131324 DYISHUZZNCVEFC-UHFFFAOYSA-N 332.488 3.562 10 50 EHCA COc1cccc(O)c1CN1Cc2cc(Cl)ccc2O[C@@H](C)C1 14990144 UTRTZRDUOPOLSD-LBPRGKRZSA-N 333.815 3.837 10 50 EHCA Cc1ccc(C)n1-c1ccc(NS(=O)(=O)c2ccccc2)cc1 3997652 HTJWQGQONIJPCB-UHFFFAOYSA-N 326.421 3.895 10 50 EHCA Cc1ccc(O)c(CN2CCC([C@H](O)Cc3ccccc3)CC2)c1 65383138 RWWRAXCKLXUBDD-OAQYLSRUSA-N 325.452 3.516 10 50 EHCA CN(C)c1ccc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc1 19634528 OHXSISJYROCCPE-RMKNXTFCSA-N 335.495 3.584 10 50 EHCA COc1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)c(OC)c1 100402680 BDPUFQZQVPHSCM-NHKNDPDJSA-N 338.367 3.579 10 50 EHCA Cc1nc(N)sc1-c1csc(Nc2ccc(N(C)C)cc2)n1 89509 AXLQBSBVVDAWDD-UHFFFAOYSA-N 331.470 3.967 10 50 EHCA CN(C)c1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100635251 GXJGLQPTQPZELK-GOSISDBHSA-N 335.386 3.539 10 50 EHCA C[C@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCC2)cc1 67621368 AQGOYOUTYHPCCW-HNNXBMFYSA-N 342.414 3.682 10 50 EHCA CC(=O)[C@@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 68601319 MFYSUUPKMDJYPF-ZBBYCGENSA-N 340.339 3.583 10 50 EHCA in-vitro COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccs1 113021 XZGVGEKLOZMFBL-WJDWOHSUSA-N 339.416 3.621 10 50 EHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 446811 LDHFRDNVIHEQSL-SFQUDFHCSA-N 348.333 3.547 10 50 EHCA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1O 4942461 SZEWRGYCLBCOAU-ZDUSSCGKSA-N 330.409 3.550 10 50 EHCA Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 65362645 UPDHCDCKWXFHSN-QGZVFWFLSA-N 338.451 3.851 10 50 EHCA Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1CCc1ccccc1 67919730 DYPFMQBPMZZKNV-LJQANCHMSA-N 333.435 3.848 10 50 EHCA COc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 4016625 RUUQNDPKAFJWBM-UHFFFAOYSA-N 345.354 3.920 10 50 EHCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(O)cc1 1209504 TXHZPLLYZRAESA-ZROIWOOFSA-N 331.393 3.937 10 50 EHCA Cc1ccc(Cl)cc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 71775242 KOBZLCNYWRDFSV-UHFFFAOYSA-N 340.814 3.728 10 50 EHCA COc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 13616751 DTYDBNVZWWBBPA-UVTDQMKNSA-N 338.359 3.694 10 50 EHCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccc(F)c1 1197466 NHPRBPJMWVHSNZ-ZSOIEALJSA-N 331.393 3.937 10 50 EHCA COc1ccccc1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 13712414 XSNFBTYONXKIIL-GDNBJRDFSA-N 343.429 3.807 10 50 EHCA Cc1cc(C=O)c(C)n1-c1ccc(I)cc1 83425 SSNYMKCLPCTDEB-UHFFFAOYSA-N 325.149 3.511 10 50 EHCA CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1c(F)cccc1Cl 6701762 SDDOMSRMWSQWAA-OAHLLOKOSA-N 332.762 3.882 10 50 EHCA CCN(CC)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 200180 PFISCCGZKYPKSH-UHFFFAOYSA-N 345.439 3.779 10 50 EHCA CCCn1ccnc1CNC1CCN(c2ccc3c(c2)CCC3)CC1 1506405785 HPAOSWJIWATVHR-UHFFFAOYSA-N 338.499 3.540 10 50 EHCA CCSc1nnc2c(n1)OC(c1ccncc1)=Nc1ccccc1-2 15017930 NKYLWJMFJHFDDO-UHFFFAOYSA-N 335.392 3.516 10 50 EHCA COc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1OC 285823 USTHRTPSFLWXTR-UHFFFAOYSA-N 329.377 3.906 10 50 EHCA Cc1ccc([C@@H]2C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 407808 RAGXUGCDQGRNGQ-OALUTQOASA-N 333.439 3.799 10 50 EHCA Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2)cc1 462829 UBAVJSAWIHFCLP-AWEZNQCLSA-N 331.213 3.902 10 50 EHCA COc1cccc(CN2CCC[C@H](Nc3cccc(F)c3)C2)c1O 12753677 SDYSNRLYTMXSSH-KRWDZBQOSA-N 330.403 3.616 10 50 EHCA COc1cc2cc[n+]3cc4c5c(ccc4c(C)c3c2cc1OC)OCO5 6069259 TWSZDJCOYVYRGM-UHFFFAOYSA-N 348.378 3.786 10 50 EHCA biogenic,in-vitro COc1cccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1O 67692431 QNCUWVZOFIKXCD-OAHLLOKOSA-N 337.423 3.657 10 50 EHCA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(C3CCCCC3)=NN12 11536112 WEOAKHRQWOSDMU-NAXSCAEVSA-N 344.465 3.948 10 50 EHCA CN(C)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19537622 WGLXGFHKJSEEOM-RMKNXTFCSA-N 335.495 3.584 10 50 EHCA Cc1noc([C@@H]2CCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 408519727 VXZKLSZGOYKGAU-GOSISDBHSA-N 340.471 3.666 10 50 EHCA COc1ccc(C2=C/C(=C\c3ccccc3OC(C)=O)C(=O)O2)cc1 447444 LIKQCZYSITXJML-LFIBNONCSA-N 336.343 3.602 10 50 EHCA CC[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O 248540270 BFEOHTMAOUQYPU-LSTHTHJFSA-N 339.483 3.739 10 50 EHCA FC(F)(F)c1cccc(-c2ccc(C(=S)N3CCOCC3)o2)c1 117226 BRZVTIMORYGLMY-UHFFFAOYSA-N 341.354 3.973 10 50 EHCA CC[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O 155870274 BFEOHTMAOUQYPU-VDGAXYAQSA-N 339.483 3.739 10 50 EHCA CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(N(C)C)cc1 613401 YMTQRSLBFYXZPO-QGZVFWFLSA-N 325.412 3.742 10 50 EHCA CC[n+]1ccc(/N=N/S(=O)(=O)c2ccccc2)c2ccccc21 4822372 QCIRHGRHDAJVNQ-UHFFFAOYSA-N 326.401 3.620 10 50 EHCA CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 4918334 QZDLUBSVTNNVIS-MHWRWJLKSA-N 342.420 3.856 10 50 EHCA CC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O 102721 GQUKAAWDXGPUOG-KRWDZBQOSA-N 326.783 3.819 10 50 EHCA COc1ccc(C2=C/C(=C/c3ccccc3F)C(=O)O2)c(OC)c1 432710 VCHFYSMMTDCNRU-LCYFTJDESA-N 326.323 3.824 10 50 EHCA COc1ccccc1CCNCc1cc(-c2ccccn2)ccc1O 20599744 IEKUUMLNHRXOTG-UHFFFAOYSA-N 334.419 3.795 10 50 EHCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1 198146 PWPLMBFBSXQYDZ-LGMDPLHJSA-N 342.354 3.506 10 50 EHCA Cc1c(/C=C2\NC(=O)NC2=O)cc(-c2ccccc2)n1-c1ccccc1 15822540 PPIJWWBQXSRUGS-PDGQHHTCSA-N 343.386 3.633 10 50 EHCA CCO[C@H](CCNC(=O)c1ccc(/N=N/C(N)=O)cc1)C1CCCC1 1875268808 FABWAMNHVAFIFT-VNRULFPQSA-N 346.431 3.564 10 50 EHCA CC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 23281228 IGVGSMOZBAFBOI-UHFFFAOYSA-N 346.515 3.651 10 50 EHCA Cc1cc([C@@H](C)c2ccccc2)c(O)c(CN2CCOCC2)c1C 19857272 DHODRICJAWWBRG-KRWDZBQOSA-N 325.452 3.993 10 50 EHCA CN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 1220919 VXQGBGAKYBGKCS-XNTDXEJSSA-N 344.461 3.747 10 50 EHCA COc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 5393894 NRYMXQPPLSBFQW-UHFFFAOYSA-N 346.430 3.811 10 50 EHCA CCN(CC)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 50619 ZXVCYEJBLDNEJY-SAPNQHFASA-N 343.496 3.989 10 50 EHCA CCn1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 463892 UTBZZRLDHQXSFC-CXUHLZMHSA-N 343.814 3.876 10 50 EHCA C[C@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 152245212 BSGWBGNZJCWZOF-KBXCAEBGSA-N 344.430 3.984 10 50 EHCA Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 13671441 QSBOVSDJDWHZHI-KRWDZBQOSA-N 338.451 3.679 10 50 EHCA COc1cccc(O)c1CN1CCC[C@H](c2[nH]ncc2C(C)C)C1 23129897 YHFJHAHJSVGFCZ-AWEZNQCLSA-N 329.444 3.627 10 50 EHCA CC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 349283 OWRBRNJMOKYORB-INIZCTEOSA-N 326.779 3.806 10 50 EHCA COc1ccc(O)c(CN2CCC[C@H](c3[nH]ncc3C(C)C)C2)c1 20202298 COLYYMDVRUPQJI-AWEZNQCLSA-N 329.444 3.627 10 50 EHCA Oc1ccc(-c2cncnc2)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C21CC1 248008368 UYLOELBDXYKIIY-KFKAGJAMSA-N 333.435 3.541 10 50 EHCA CCOc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1O 441309 IELMFUMWMDZDCH-VBKFSLOCSA-N 346.452 3.637 10 50 EHCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(O)c1 1002956 COHBVMBCXJLXTA-ZSOIEALJSA-N 331.393 3.937 10 50 EHCA COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(OC)c1 1181987 QCOBQXGYRMQADS-AUWJEWJLSA-N 337.466 3.561 10 50 EHCA O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1CCCC2 822660697 VTLMEPWLUYNCIR-UHFFFAOYSA-N 336.435 3.654 10 50 EHCA O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1 49740473 YVKYXEYOIGFTDH-UHFFFAOYSA-N 326.415 3.675 10 50 EHCA O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccccc1 134744 PEJWCKUKFDSRPJ-UHFFFAOYSA-N 333.796 4.000 10 50 EHCA CCCCC1=NN2C(=N)/C(=C/c3ccc(C)cc3)C(=O)N=C2S1 4725383 XXUXYNXMDFBGNM-JADYNCEHSA-N 326.425 3.804 10 50 EHCA Cc1occc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4903980 GLVZFGUQXYRYLE-UHFFFAOYSA-N 331.327 3.616 10 50 EHCA Oc1ccc(-c2cccnc2)cc1CN1CCN(c2ccccc2)CC1 299769491 XQIYFYVAOGVGQQ-UHFFFAOYSA-N 345.446 3.776 10 50 EHCA NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 15055916 LMMODKUVVDSJOZ-DHDCSXOGSA-N 344.823 3.848 10 50 EHCA CCn1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cn1 2797730 LWELLTAUPYOAPK-CDCQXCROSA-N 343.477 3.865 10 50 EHCA COc1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)c(OC)c1 100402687 BDPUFQZQVPHSCM-NRTINQSCSA-N 338.367 3.579 10 50 EHCA CCn1cc(Cl)cc1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 1875270759 QCDOREBMAGOERU-UHFFFAOYSA-N 343.858 3.767 10 50 EHCA Cc1cc(C=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5092518 PMYKNBWAXVYERX-UHFFFAOYSA-N 327.384 3.805 10 50 EHCA CCN(CC)c1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1 103451033 ZIEYFFFXSJRKHR-QGZVFWFLSA-N 327.453 3.935 10 50 EHCA COc1ccc(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1 312841 AFVLVHOQWWKARV-DHDCSXOGSA-N 337.331 3.893 10 50 EHCA CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5502654 IXADVYUUICIPJR-JLHYYAGUSA-N 336.438 3.986 10 50 EHCA O=C(COc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 62225654 RTRDWKAJSIKDMA-UHFFFAOYSA-N 342.414 3.511 10 50 EHCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCC1 100095265 IHDAAVLTFDQIGJ-WJDWOHSUSA-N 340.452 3.825 10 50 EHCA COc1ccc(OC)c(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)c1 102148372 BVAXHYVDBBAHQS-NHKNDPDJSA-N 338.367 3.579 10 50 EHCA CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(F)c(Cl)c1 170618974 YJDVGOLCFLLFMM-MRXNPFEDSA-N 332.762 3.882 10 50 EHCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 12462211 SAJLYNWOIPSCCE-WQRHYEAKSA-N 349.390 3.720 10 50 EHCA O=C(O)c1ccccc1Nc1cccc2c1C(=O)c1ccccc1C2=O 3878832 BXSCARJCEFJTJZ-UHFFFAOYSA-N 343.338 3.904 10 50 EHCA CCn1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cn1 2797728 LWELLTAUPYOAPK-ZENNRRHLSA-N 343.477 3.865 10 50 EHCA Cn1cc/c(=N\N=N/c2sc3ccccc3[n+]2C)c2ccccc21 4773301 AHWOHVAPJCVECN-UHFFFAOYSA-N 334.428 3.817 10 50 EHCA O=C1NN=C(c2ccccc2)C1=CNc1ccc(C(F)(F)F)cc1 2040736844 IHNMVALFEBJQGR-UHFFFAOYSA-N 331.297 3.535 10 50 EHCA O=c1cc(-c2ccccc2)c2cc(Cl)c(OC[C@H]3CO3)cc2o1 30822701 YYATWTQAWFFZNT-GFCCVEGCSA-N 328.751 3.891 10 50 EHCA C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccncc3)cc2)C1 97259261 IANRPONZIATRAI-KRWDZBQOSA-N 337.467 3.567 10 50 EHCA Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 72115973 KWRYFORSAJQINB-QGZVFWFLSA-N 338.451 3.679 10 50 EHCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccsc3)C2=O)cc1C 450967 ZMCVZIPHWDDWGM-RIYZIHGNSA-N 326.377 3.872 10 50 EHCA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 16667824 CVCZLYCVMGMLPQ-JYRVWZFOSA-N 346.389 3.589 10 50 EHCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(O)cc1C 18194236 UXFWLYSFFUHWHG-YBEGLDIGSA-N 325.343 3.558 10 50 EHCA Nc1ccc(CC(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)cc1 1506418977 VICGJVKBCBXLFB-LJQANCHMSA-N 338.451 3.531 10 50 EHCA Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)cc1 225489620 NRBDEHYDZXSRAR-ZWKOTPCHSA-N 328.843 3.917 10 50 EHCA Nc1ccc(CC(=O)NCC[C@@H](c2ccccc2)c2ccco2)cc1 827848674 DOBRWMVLLQACHJ-IBGZPJMESA-N 334.419 3.743 10 50 EHCA COc1ccc(C2=C/C(=C\c3ccc(OC(C)=O)cc3)C(=O)O2)cc1 447609 KZTHPCJPUAVZFG-LFIBNONCSA-N 336.343 3.602 10 50 EHCA O=C1CCCN1Cc1ccccc1NCc1ccc(Cl)cc1O 1875286481 VLDHCPILALWRLS-UHFFFAOYSA-N 330.815 3.780 10 50 EHCA Cc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 446996 XITNSXOGLHXIML-PDGQHHTCSA-N 348.402 3.785 10 50 EHCA Cc1cc(C=O)c(C)n1-c1cccc(I)c1 453634 INOXXKWKQGWVDR-UHFFFAOYSA-N 325.149 3.511 10 50 EHCA Cc1nc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)s1 216346324 CERGDJBAGSBQPK-ZDUSSCGKSA-N 343.496 3.926 10 50 EHCA Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCCCC1)CCCC3 4995482 GANBHWZYQFKGOE-UHFFFAOYSA-N 327.424 3.672 10 50 EHCA CC(C)c1ncsc1NC(=O)NCc1cccc(Cl)c1O 931662414 BDFIZQRWKQQMDV-UHFFFAOYSA-N 325.821 3.947 10 50 EHCA COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1OC 103251 PUKQIDQVJKYYLC-ZDUSSCGKSA-N 332.787 3.502 10 50 EHCA CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 245324 DGJBDLGVFUCLON-IBGZPJMESA-N 336.347 3.679 10 50 EHCA CCN(CC)c1ccc([C@H]2NN=C(c3ccccc3O)S2)cc1 103451035 ZIEYFFFXSJRKHR-KRWDZBQOSA-N 327.453 3.935 10 50 EHCA CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 3894223 YOCJYBMQWMFFSG-LJQANCHMSA-N 349.434 3.622 10 50 EHCA biogenic Cc1cc(C)cc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)c1 2992783 UVJGSDOHCJUQJM-UHFFFAOYSA-N 328.481 3.719 10 50 EHCA CC(C)OC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 82770 DQMREEDQPPVIRC-UHFFFAOYSA-N 338.359 3.790 10 50 EHCA biogenic COc1ccc(C2=C/C(=C/c3ccc(OC)c(OC)c3)C(=O)O2)cc1 199932 AZIDSSSEAMNNCT-GDNBJRDFSA-N 338.359 3.694 10 50 EHCA COc1ccc(-c2ccc(/C=C3/SC(N)=NC3=O)o2)cc1Cl 6230728 MFAQCRIMOAWXOS-NTUHNPAUSA-N 334.784 3.538 10 50 EHCA COc1ccc(OC)c([C@@H]2CCN(Cc3cc(C)ccc3O)C2)c1 65408307 YVFQMWSYQHJSSR-OAHLLOKOSA-N 327.424 3.707 10 50 EHCA CN(C)Cc1cc(-c2nccn2-c2cnc3ccccc3c2)ccc1O 72161640 VTQFXNMKTZJTMZ-UHFFFAOYSA-N 344.418 3.855 10 50 EHCA COCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C)c1ccccc1O 534639969 NVRKIIJNJOSDQA-AWEZNQCLSA-N 348.468 3.681 10 50 EHCA COC(=O)c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2OC)cc1 4952272 VBULSGSPONIPLW-UHFFFAOYSA-N 330.300 3.501 10 50 EHCA COc1cccc(O)c1CN1CCC[C@@H](c2[nH]ncc2C(C)C)C1 23129895 YHFJHAHJSVGFCZ-CQSZACIVSA-N 329.444 3.627 10 50 EHCA COc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1OC(C)=O 37667 QVTUTXKZXGMXQW-MHWRWJLKSA-N 336.343 3.602 10 50 EHCA C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C1(O)CCC1 1875349244 RLPOZXKURSLMGI-HNNXBMFYSA-N 330.497 3.778 10 50 EHCA Cc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)s1 459320 ZRHCTPGBIWNRSG-DHZHZOJOSA-N 346.408 3.867 10 50 EHCA c1ccc(C2CN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)nc1 1506405500 AXCCXMVHTWPTEB-UHFFFAOYSA-N 333.479 3.639 10 50 EHCA Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1C 15011061 IAOWAWRCDIFYDS-ZSOIEALJSA-N 332.450 3.636 10 50 EHCA COc1ccc2c(c1)c(=O)oc1cc(O[C@H]3CCCCC3=O)ccc12 4993640 JTXXZSZCCYEPDL-SFHVURJKSA-N 338.359 3.845 10 50 EHCA Cc1cc(C(=O)Oc2ccc3c[nH]nc3c2)c(C)n1-c1ccccn1 754709208 RIIFFRKKMBXSDI-UHFFFAOYSA-N 332.363 3.585 10 50 EHCA CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 87288 UPLAQKIMKDWICQ-OAHLLOKOSA-N 330.771 3.802 10 50 EHCA CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OC 15016248 SDQMFLNNRCAVQP-LGMDPLHJSA-N 336.391 3.900 10 50 EHCA COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 92471 NGWJQCDRHNFCSY-UHFFFAOYSA-N 335.425 3.633 10 50 EHCA COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN(C)C)cc23)cc1 489632 CJLPBRABBONKIB-UHFFFAOYSA-N 339.391 3.544 10 50 EHCA biogenic COc1ccccc1N[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 1232454 RJLAZSVFARJSTF-OAHLLOKOSA-N 328.393 3.642 10 50 EHCA O=Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 15011472 VFFSLHRMNXJEBM-MHWRWJLKSA-N 339.441 3.901 10 50 EHCA Cc1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 1013841 DXNXFDOTFNJPOQ-OAHLLOKOSA-N 340.404 3.592 10 50 EHCA CCN(CC)c1ccc([C@H]2NC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 183614 PKLBKECPTTUKNK-MOPGFXCFSA-N 341.411 3.801 10 50 EHCA Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 13671439 QSBOVSDJDWHZHI-QGZVFWFLSA-N 338.451 3.679 10 50 EHCA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1 199905 NIFANDXEDSJZOR-UHFFFAOYSA-N 337.375 3.876 10 50 EHCA C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 71754864 RCEZECQNFPRXFS-INIZCTEOSA-N 344.480 3.716 10 50 EHCA CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 87274 UZLBHGBBHNHZNS-CQSZACIVSA-N 332.812 3.881 10 50 EHCA CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 1805582 PPRDJLZONBKPBL-LEWJYISDSA-N 341.451 3.932 10 50 EHCA CCc1ccc(N2N=C(C)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 5047000 XXNLZKLRHTZDFG-PDGQHHTCSA-N 335.363 3.963 10 50 EHCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1O 13602689 AMYMEJDOXQUFPU-GDNBJRDFSA-N 349.477 3.935 10 50 EHCA Cc1cc([C@H](C)c2ccccc2)c(O)c(CN2CCOCC2)c1C 19857274 DHODRICJAWWBRG-QGZVFWFLSA-N 325.452 3.993 10 50 EHCA CC(=O)[C@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 68601313 MFYSUUPKMDJYPF-QBNCKDSPSA-N 340.339 3.583 10 50 EHCA in-vitro O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCCCC3)cccc21 4892031 OWSQMRNEGJNRMN-UHFFFAOYSA-N 333.387 3.981 10 50 EHCA CCCc1noc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n1 20599540 SICWVJLLZOPWLR-UHFFFAOYSA-N 346.386 3.582 10 50 EHCA CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1ccsc1 328600334 WZIRYOFFYXRSTK-CQSZACIVSA-N 330.409 3.550 10 50 EHCA CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S 1133414 VHEDNPRVOXYLPL-PTNGSMBKSA-N 332.494 3.816 10 50 EHCA COc1ccccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O 1216108 IOTLGRCIVJPNMF-NTEUORMPSA-N 331.418 3.690 10 50 EHCA Cc1cccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)c1 2308807 BIILOYLDHQNEBF-OQLLNIDSSA-N 328.462 3.891 10 50 EHCA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN(C)C)c1O 4888408 JYNXJALSRBHDNB-UHFFFAOYSA-N 344.436 3.555 10 50 EHCA COc1cccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1O 67692429 QNCUWVZOFIKXCD-HNNXBMFYSA-N 337.423 3.657 10 50 EHCA Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)NC3=O)c2C)cc1C 23128335 ZTENVIGVKMPGIM-SXGWCWSVSA-N 325.437 3.850 10 50 EHCA COc1ccc(N2CC[C@@H](NCc3ccc4ccncc4c3)C2)cc1 1875284445 ZQEFWRUGWZYYFI-LJQANCHMSA-N 333.435 3.612 10 50 EHCA CCCCC1=NN2C(=N)/C(=C/c3ccc(F)cc3)C(=O)N=C2S1 4725420 FFEDSUFXJJWQBB-LITBSJMGSA-N 330.388 3.635 10 50 EHCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 509946 DKMZFJUWHVLJGF-GZTJUZNOSA-N 337.423 3.572 10 50 EHCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 218381958 HONGUKIIFQRCAQ-UHFFFAOYSA-N 347.330 3.944 10 50 EHCA CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(N(C)C)cc2)cc1 16192498 MFBCLEANLCTAST-AUWJEWJLSA-N 338.407 3.581 10 50 EHCA CCOc1cc(-c2ccc(O)c(O)c2)cc(=O)c2c(C)oc(C)c12 111962 XNTCTTULQBTOJK-UHFFFAOYSA-N 326.348 3.887 10 50 EHCA biogenic COc1ccccc1[C@@H]1CC(c2cc(Br)ccc2O)=NN1 4916359 PFILICLWKWHUSX-ZDUSSCGKSA-N 347.212 3.602 10 50 EHCA biogenic C[C@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 152245423 BSGWBGNZJCWZOF-KSSFIOAISA-N 344.430 3.984 10 50 EHCA COc1cc(C)cc(CN(C)[C@@H]2CCCc3nc(C)sc32)c1O 164321394 PKCSRDOBAQURJA-OAHLLOKOSA-N 332.469 3.984 10 50 EHCA COc1ccc(N2CCN(C/C=C/c3ccccc3OC)CC2)cc1 23281844 FFSGCRBYTNWUOJ-FNORWQNLSA-N 338.451 3.539 10 50 EHCA CC[C@@H](N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O 156912896 CPESEZYJNYEXHY-HUUCEWRRSA-N 325.330 3.584 10 50 EHCA C[C@@H](Cc1ccsc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 1506419416 BTXNECXZOWMXDL-AWEZNQCLSA-N 344.480 3.666 10 50 EHCA Cc1ccc(Nc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 3879122 KDKVVQBBFVQTPQ-UHFFFAOYSA-N 345.354 3.925 10 50 EHCA biogenic COP(=O)(OC)c1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1O 5496530 JHYRXEIEYMMXRK-UHFFFAOYSA-N 330.361 3.804 10 50 EHCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@@H]1c1ccccc1 17367271 YBYSZNOMGYWBBK-RTBURBONSA-N 345.398 3.923 10 50 EHCA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccccc3O)C2)cc1F 12386057 SFFJXJQGQDRFDH-INIZCTEOSA-N 343.398 3.635 10 50 EHCA O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 4707421 JIAGGSRRAAHALT-ISLYRVAYSA-N 329.337 3.603 10 50 EHCA Cc1ccc(O)c(CN2CCC([C@@H](O)Cc3ccccc3)CC2)c1 65383140 RWWRAXCKLXUBDD-NRFANRHFSA-N 325.452 3.516 10 50 EHCA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccccc3O)C2)cc1F 12386056 SFFJXJQGQDRFDH-MRXNPFEDSA-N 343.398 3.635 10 50 EHCA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1Cc1ccccc1 12436564 QUYCETSYSJOKIN-XNTDXEJSSA-N 327.430 3.794 10 50 EHCA CCOC(=O)CC1(c2ccc(CC)cc2)C(=O)c2ccccc2C1=O 210298 GAXZNCVKXZEGMD-UHFFFAOYSA-N 336.387 3.519 10 50 EHCA Cc1ccc(CN2CCC(CN(C)Cc3ccccc3O)CC2)o1 15069531 KEOGDGYGUNNEJC-UHFFFAOYSA-N 328.456 3.638 10 50 EHCA COc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 496798 UZMCVMRFDCILSO-UHFFFAOYSA-N 346.430 3.811 10 50 EHCA CCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1O 13943210 KIFJDUSCTJSKOO-UHFFFAOYSA-N 340.467 3.730 10 50 EHCA COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)ccc1O 257231 SYMWDHQZCMAQBC-YBEGLDIGSA-N 325.389 3.770 10 50 EHCA Cc1ccn2c(/C=C3/SC(NC4CCCCC4)=NC3=O)cnc2c1 170639984 CRCRWEDXSAZVIM-XNTDXEJSSA-N 340.452 3.535 10 50 EHCA Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2CO)c(C)n1-c1cccc(Cl)c1 170604161 QBRBLOQFPQRIGX-SGTLLEGYSA-N 346.858 3.590 10 50 EHCA c1ccc([C@@H]2CCN(Cc3ncoc3C3CNC3)c3ccccc32)cc1 2325801012 QOPISHCDEDGFJW-SFHVURJKSA-N 345.446 3.904 10 50 EHCA O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccccc1F 8995498 BTXWOQBYISISBP-LCYFTJDESA-N 349.321 3.814 10 50 EHCA O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 1870851 VKTKWSLDTYYBER-PKNBQFBNSA-N 341.479 3.594 10 50 EHCA Cc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 100711597 ZLGUIXOUPKHWJQ-LJQANCHMSA-N 331.423 3.709 10 50 EHCA CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1ccsc1 328600333 WZIRYOFFYXRSTK-AWEZNQCLSA-N 330.409 3.550 10 50 EHCA CC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O 806149805 IDRZMOOBKWPBBJ-RHSMWYFYSA-N 337.822 3.829 10 50 EHCA COc1cccc(O)c1CN1Cc2cc(Cl)ccc2O[C@H](C)C1 14990142 UTRTZRDUOPOLSD-GFCCVEGCSA-N 333.815 3.837 10 50 EHCA CCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3892424 CDWWJJUGAPQPFT-CYBMUJFWSA-N 338.359 3.790 10 50 EHCA biogenic OCC1CCN(c2ccc(CNc3nccc4occc34)cc2)CC1 156791226 NWCGUAQLNCXFRJ-UHFFFAOYSA-N 337.423 3.649 10 50 EHCA COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 4845201 CGBDNYIADZTMKV-DHDCSXOGSA-N 344.461 3.592 10 50 EHCA Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)C(O)=NC2=S)cc1 17137808 CRWXIJZMYXMQLH-RPGBBNPCSA-N 338.388 3.816 10 50 EHCA Cc1ccc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 5394343 VYYRXUXAFDDPHJ-SNAWJCMRSA-N 335.495 3.896 10 50 EHCA O=c1oc2c(CN3CCCCC3)c(O)ccc2c2c1CCCCC2 5025772 GGUZEBCHMIFFJH-UHFFFAOYSA-N 327.424 3.753 10 50 EHCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 100148943 KTCBIEZBSUXWRM-BOPFTXTBSA-N 336.351 3.622 10 50 EHCA CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3 19789537 NQCHMHDBNXMFRY-UHFFFAOYSA-N 335.831 3.873 10 50 EHCA C[C@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1ccccc1 237601251 WQVATQGUXFLWMM-KUHUBIRLSA-N 326.465 3.517 10 50 EHCA CC[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccccc1O 155304096 NOBHDQACOSQUPR-KRWDZBQOSA-N 325.387 3.958 10 50 EHCA O=C(O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O 68267234 RTEYSQSXRFVKTJ-UHFFFAOYSA-N 328.151 3.715 10 50 EHCA CCC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc(N(C)C)cc1 613402 YMTQRSLBFYXZPO-KRWDZBQOSA-N 325.412 3.742 10 50 EHCA O=C(Cc1cccc(Cl)c1)NCc1ccc(N2CCCC2)cc1 67906715 AZNZGWMAEYYIQP-UHFFFAOYSA-N 328.843 3.799 10 50 EHCA C[C@H](O[C@@H]1CC(=O)C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21)c1ccccc1 252428122 QPZYNQGSSNBJQS-JZOCTASASA-N 348.398 3.807 10 50 EHCA CC1=CC(=C2SC(=S)NC2=O)C=C(C)N1CCc1ccccc1 685944445 MMXOFMTXGNCHFJ-UHFFFAOYSA-N 342.489 3.754 10 50 EHCA COc1cccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)c1 13616749 HHFVOECLWIXDHO-ZROIWOOFSA-N 338.359 3.694 10 50 EHCA Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 4179264 MGCCAUHNWFEZCG-UHFFFAOYSA-N 331.327 3.616 10 50 EHCA CC1(C)OC(=O)C(=CNc2ccc(Oc3ccccc3)cc2)C(=O)O1 2504438 ALCMJIOZTDHDEG-UHFFFAOYSA-N 339.347 3.611 10 50 EHCA O=C(Cc1ccc(Cl)cc1F)NCc1ccc(N2CCCC2)cc1 71375700 DZJQADTXLWLIMP-UHFFFAOYSA-N 346.833 3.938 10 50 EHCA Cc1cc(-c2ccc(O)c(CN3CCOCC3)c2)c2ccccc2n1 12052289 BXCSNKJAQJLSNQ-UHFFFAOYSA-N 334.419 3.748 10 50 EHCA O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 470855 SZOPCHOOHZIDKC-UHFFFAOYSA-N 325.389 3.860 10 50 EHCA Oc1ccc(-c2cnccn2)cc1CNCCc1cccc(Cl)c1 20780118 MMUJBCFXZVCBLS-UHFFFAOYSA-N 339.826 3.835 10 50 EHCA CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 13130661 NYSNWKVZPJLWBH-WQRHYEAKSA-N 346.365 3.568 10 50 EHCA CN(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 55543280 OCWPPXMDKKWARS-UHFFFAOYSA-N 329.875 3.728 10 50 EHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1C 451083 WVQZRRRPBTZQAF-XICJKMHVSA-N 346.386 3.526 10 50 EHCA CC(=C\c1cc(Cl)ccc1O)/C=C1/SC(=S)N(C)C1=O 4677187 YFORRIYVJHNECC-TUXZCDOTSA-N 325.842 3.823 10 50 EHCA Oc1ccccc1CNc1ccc(I)cc1 409926 XULXYJODKHEBHB-UHFFFAOYSA-N 325.149 3.609 10 50 EHCA COc1ccc(C(=O)c2coc3c2C(=O)C(=O)c2ccccc2-3)cc1 1840877 KSHKRMFJLQWMNF-UHFFFAOYSA-N 332.311 3.565 10 50 EHCA CN(Cc1ccccc1)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122782 KRCRLEJHLWTLDE-UHFFFAOYSA-N 335.403 3.619 10 50 EHCA biogenic CN(C)c1ccc(/C=C/CN2CCN(c3ccccc3F)CC2)cc1 4980796 BUWYZOHUTAUJRH-AATRIKPKSA-N 339.458 3.727 10 50 EHCA Cc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1 15800710 LBZGEAHUHOKMCE-GQECEEOXSA-N 346.415 3.662 10 50 EHCA O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 505561 PGHUFOJFKZXUDV-QGZVFWFLSA-N 332.359 3.977 10 50 EHCA CN(Cc1cscn1)C1CCN(c2ccc3c(c2)CCC3)CC1 952981137 GTCSYPJTJGNZQF-UHFFFAOYSA-N 327.497 3.733 10 50 EHCA COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 328599418 RQDBLPWVCKPOMK-MRXNPFEDSA-N 344.798 3.752 10 50 EHCA CCOc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 140979 WCBGKMVBDOWWOG-UHFFFAOYSA-N 337.375 3.857 10 50 EHCA biogenic Cc1ccc([C@H]2C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 407809 RAGXUGCDQGRNGQ-RTBURBONSA-N 333.439 3.799 10 50 EHCA Cc1oc(C(=O)O)cc1COc1ccc2c(C)c(C)c(=O)oc2c1 2482284 GXBLGCBHYFCKEZ-UHFFFAOYSA-N 328.320 3.588 10 50 EHCA biogenic Cn1/c(=N/N=N/c2sc3ccccc3[n+]2C)sc2ccccc21 4773286 WMKYHKIRADYFGA-UHFFFAOYSA-N 340.457 3.879 10 50 EHCA COc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1 12543627 SCBCFUZZZPEIDZ-DHDCSXOGSA-N 344.461 3.592 10 50 EHCA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(N(C)C)cc1 613562 RMCJSBYGBLYBCV-MRXNPFEDSA-N 327.453 3.902 10 50 EHCA O=C1N=C(O)/C(=C/c2ccco2)C(=O)N1c1cccc2ccccc12 8971727 OYEWLNGOGRNHKM-PTNGSMBKSA-N 332.315 3.940 10 50 EHCA Oc1ccc(-c2nc3ccccc3s2)cc1CNC[C@H]1CCCO1 299785680 LETZDBAKPRAEMR-OAHLLOKOSA-N 340.448 3.938 10 50 EHCA Cc1ccc([C@@H]2C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 407810 RAGXUGCDQGRNGQ-RBUKOAKNSA-N 333.439 3.799 10 50 EHCA COc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c(OC)c1 39160 KBWJEJOFLGBCLX-WJDWOHSUSA-N 346.452 3.550 10 50 EHCA COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(C)cc2)C1=O 1318632 IHMDDBNXKMBZQK-OAHLLOKOSA-N 328.393 3.642 10 50 EHCA C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 6098082 GGKRDSVPAHFGQP-GMROUXNLSA-N 343.429 3.514 10 50 EHCA Oc1cc(OCc2ccccc2)ccc1CN1CCCc2n[nH]cc2C1 828008538 DBAVTOKEMJTAMH-UHFFFAOYSA-N 349.434 3.643 10 50 EHCA COCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S 2677641 OJRQYQHHMVWUBC-SDNWHVSQSA-N 335.494 3.832 10 50 EHCA CCOC(=O)c1ccc(/N=N/c2ccc(O)c(CC(=O)O)c2)cc1 3871910 YYBSDOZYJSGLTH-VHEBQXMUSA-N 328.324 3.611 10 50 EHCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 4391734 QHTXHOWMEWCNTQ-SNAVUQBVSA-N 347.461 3.553 10 50 EHCA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3C(C)C)C2)c1O 20773895 RAGULENTXJTUKK-CQSZACIVSA-N 329.444 3.627 10 50 EHCA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@@H]31 13590510 XIFMNZHDPSPECA-AXOAAPQKSA-N 327.811 3.946 10 50 EHCA Cc1nc(N)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 4123321 NBNNWRUKIZZCNX-UHFFFAOYSA-N 333.398 3.809 10 50 EHCA Cc1ccc(O)c(CNc2nnc(-c3cccc(OC(F)F)c3)o2)c1 225431510 TZCLFZQJPOKKPI-UHFFFAOYSA-N 347.321 3.964 10 50 EHCA Cc1cc(NC(=O)NCc2c(O)cccc2F)nn1C1CCCCC1 931493336 QXXOHDDZRMNXFW-UHFFFAOYSA-N 346.406 3.863 10 50 EHCA CN1C=CC(=C(O)N=NC(=O)c2ccc(Br)cc2)C=C1 409415928 DOQZJRFVBTWOCG-UHFFFAOYSA-N 334.173 3.784 10 50 EHCA CCN1C(=O)/C(=C/c2cccc(N(C)C)c2Cl)SC1=S 1135391 HMARMHHQHHIFIS-FLIBITNWSA-N 326.874 3.627 10 50 EHCA CCc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1 4592198 AXLAIOMVPSVLFP-WQRHYEAKSA-N 334.375 3.753 10 50 EHCA CN(C)c1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 13370371 NBBZXWJMRKQULS-SSZFMOIBSA-N 329.469 3.599 10 50 EHCA CCSc1nnc2c(n1)OC(c1cccnc1)=Nc1ccccc1-2 15017433 GLGKHNHESDCSEB-UHFFFAOYSA-N 335.392 3.516 10 50 EHCA Oc1ccccc1C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 4841209 YJEFYHVNDQAQGD-UHFFFAOYSA-N 342.811 3.662 10 50 EHCA Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2)cc1 529093 UGXMGPFCNOPGTN-UHFFFAOYSA-N 348.402 3.569 10 50 EHCA Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCCC3 4749683 KCDLJJMWMXDAHI-UHFFFAOYSA-N 327.424 3.672 10 50 EHCA COc1cc(N(C)Cc2cc(O)ccc2Cl)cc(OC)c1OC 1331555266 OKBRKBORFVHVMV-UHFFFAOYSA-N 337.803 3.708 10 50 EHCA COc1cc(OC)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1 381937 XYKPIPMIOZMKLY-UHFFFAOYSA-N 326.396 3.556 10 50 EHCA aggregator CC[C@@H](NC(=O)c1ccc(C)c(-n2c(C)ccc2C)c1)C1CC(O)C1 219935635 VLXBTEMRODCGJH-CTWPCTMYSA-N 340.467 3.682 10 50 EHCA CC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 87242 OGOXQDKTBGYXDB-INIZCTEOSA-N 326.783 3.819 10 50 EHCA COc1ccc(CN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 2814044 INGWUVMJBOCBLS-ZROIWOOFSA-N 331.418 3.690 10 50 EHCA c1c2c(cc3c1OCO3)OCN(CC13CC4CC(CC(C4)C1)C3)C2 4909908 YZYVHTKKJGXEKH-UHFFFAOYSA-N 327.424 3.784 10 50 EHCA Cc1oc(C(=O)O)cc1COc1ccc2c(C)c(C)c(=O)oc2c1C 200934 PCPAEDPPNSEWCQ-UHFFFAOYSA-N 342.347 3.897 10 50 EHCA biogenic CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O 806149804 IDRZMOOBKWPBBJ-PBHICJAKSA-N 337.822 3.829 10 50 EHCA CCc1cc(O)ccc1NS(=O)(=O)c1csc2ccccc12 795352813 KISWOWUBMIVUEH-UHFFFAOYSA-N 333.434 3.970 10 50 EHCA COc1ccc(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)c(OC)c1 199975 ZKSPNEOOTPIGTL-LCYFTJDESA-N 326.323 3.824 10 50 EHCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccs1 3896024 FIYXIBUMKKQQDP-UHFFFAOYSA-N 333.368 3.776 10 50 EHCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccccc1 100147545 OXRQDOKWGLWLCH-NTEUORMPSA-N 340.766 3.844 10 50 EHCA C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C1(O)CCC1 1875349245 RLPOZXKURSLMGI-OAHLLOKOSA-N 330.497 3.778 10 50 EHCA Cc1ocnc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 225707873 MHJWUHCTYUSXTH-LBPRGKRZSA-N 347.846 3.803 10 50 EHCA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)OC 4387701 SNQUBCWRSBZCMO-UHFFFAOYSA-N 338.359 3.574 10 50 EHCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccco3)C2=O)cc1Cl 8738315 YENSSQXGEPJOGY-WQLSENKSSA-N 330.727 3.748 10 50 EHCA CN(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 48455 YSSMZQRRKFLSIW-WJDWOHSUSA-N 326.783 3.751 10 50 EHCA O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 13476839 CSANKXARFCLPQN-GXDHUFHOSA-N 341.413 3.791 10 50 EHCA O=C(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccccc1 1590838 FUEGWHHUYNHBNI-UHFFFAOYSA-N 342.350 3.818 10 50 EHCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 3997778 SIGATAYQAZTAOH-UHFFFAOYSA-N 327.339 3.714 10 50 EHCA COc1cccc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)c1O 19301000 PJDABHGCRWRRRH-HNNXBMFYSA-N 343.471 3.702 10 50 EHCA CC(=O)Nc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 235287 DCUSBOBFLJMFTB-UHFFFAOYSA-N 345.453 3.859 10 50 EHCA O=C(O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 1870853 VKTKWSLDTYYBER-LUAWRHEFSA-N 341.479 3.594 10 50 EHCA COc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1 4774783 MMFCPKYGMSQKCQ-UHFFFAOYSA-N 344.370 3.796 10 50 EHCA CC[C@@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1O 155202586 ATCYVOCNQWAWKE-GOSISDBHSA-N 336.439 3.831 10 50 EHCA COc1ccc(N2CCC(N(C)[C@@H](C)c3ccncc3)CC2)cc1 65406972 YZHQASGZAKTHOE-INIZCTEOSA-N 325.456 3.752 10 50 EHCA COc1ccc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 4091915 MNLYCBLRWLLRDA-UHFFFAOYSA-N 347.802 3.583 10 50 EHCA CCN(CC)c1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 2823997 MNZGHBJANZEQEU-NTCAYCPXSA-N 326.421 3.939 10 50 EHCA CC(C)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 3901721 XSBGPFKXNCNRJA-XKZGMXHESA-N 334.422 3.761 10 50 EHCA O=C1/C(=C/c2ccccc2)SC(=S)N1CNCc1ccccc1 334161228 WTRFPESVJYYWNV-WJDWOHSUSA-N 340.473 3.635 10 50 EHCA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccccc2O)C1 12031321 RLYROAHXBFCSPX-HNNXBMFYSA-N 343.398 3.635 10 50 EHCA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccccc1 21486926 HNORBTQIVFBRGQ-UHFFFAOYSA-N 325.364 3.661 10 50 EHCA Cc1ccc(C)c(N2CCN(Cc3cc(Cl)ccc3O)CC2)c1 53175269 JLFCWVOBYKCWIA-UHFFFAOYSA-N 330.859 3.985 10 50 EHCA COc1ccc(N(C)Cc2nnc(-c3ccccc3)n2C)cc1Cl 121963250 MUCZWRKEAVYYAV-UHFFFAOYSA-N 342.830 3.781 10 50 EHCA N=C1/C(=C/c2ccccc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 4725347 DZTHFAVLNMUDLD-ZRSPDKKLSA-N 346.415 3.548 10 50 EHCA O=C(CSc1ccccc1)NCc1ccc(N2CCCC2)cc1 13673868 WTEXWBQWVWTUES-UHFFFAOYSA-N 326.465 3.695 10 50 EHCA CN1C(=O)/C(=C\C(Br)=C\c2ccccc2)SC1=S 100440174 NGCHHUAYIQHVER-BDLVGCLISA-N 340.267 3.796 10 50 EHCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCC1 334163635 ZKOUKMHXKWHOFT-LCYFTJDESA-N 338.885 3.595 10 50 EHCA COc1cccc(O)c1CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12458898 BBMPWBAUAHDDOP-AWEZNQCLSA-N 348.393 3.756 10 50 EHCA COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1OC 33932235 HGARRTVCLYHARZ-RIYZIHGNSA-N 337.466 3.561 10 50 EHCA COc1c(S(=O)(=O)Nc2ccc(O)cc2)ccc(Cl)c1Cl 1775967680 JKOAMVQJCRTJNR-UHFFFAOYSA-N 348.207 3.508 10 50 EHCA COc1ccc2c(=O)/c(=C/c3ccc(N(C)C)cc3)oc3cccc1c32 246066 DOWMTGRXOQQXMH-MOSHPQCFSA-N 345.398 3.569 10 50 EHCA biogenic O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1cccc(F)c1 1197419 JIZWYIVYZLXYDP-AUWJEWJLSA-N 347.392 3.643 10 50 EHCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 5023599 MGSTVIFOTQFPCV-OQLLNIDSSA-N 325.324 3.611 10 50 EHCA OC[C@@]1(Cc2ccccc2)CCCN(Cc2cc(Cl)ccc2O)C1 12744850 PBYHLNASCZECOD-HXUWFJFHSA-N 345.870 3.863 10 50 EHCA Cn1c(NCc2cc(Br)ccc2O)nc2ccccc21 111419 SWQBUISJAVRRGD-UHFFFAOYSA-N 332.201 3.654 10 50 EHCA Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN(C)C)c32)cc1 294099 WPTJAOOOLOMCIQ-UHFFFAOYSA-N 339.395 3.923 10 50 EHCA CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O 155218487 DYPXYNXZKYZEEV-SFHVURJKSA-N 344.430 3.609 10 50 EHCA CCCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@@H]1c1cccs1 241173101 KGBUNQYKFFSVMB-OAHLLOKOSA-N 344.436 3.940 10 50 EHCA CCOCCCNCc1cc(-c2cc(OC)ccc2OC)ccc1O 14888498 KHONUTSABBKAME-UHFFFAOYSA-N 345.439 3.593 10 50 EHCA O=C(Cc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 3898688 OUIBMHAGJRLWNT-UHFFFAOYSA-N 341.366 3.643 10 50 EHCA CC1(C)OC(=O)C(=CSCc2cccc(C(F)(F)F)c2)C(=O)O1 1404311 NPBMBYNCOHCVOY-UHFFFAOYSA-N 346.326 3.659 10 50 EHCA CC1(C)OC(=O)C(=CSCc2ccc(Cl)cc2Cl)C(=O)O1 1404310 IKASRMCLBUQRKA-UHFFFAOYSA-N 347.219 3.947 10 50 EHCA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2ccccc2O)C1 12031318 RLYROAHXBFCSPX-OAHLLOKOSA-N 343.398 3.635 10 50 EHCA COc1ccc(N2CCC(N(C)[C@H](C)c3ccncc3)CC2)cc1 65406973 YZHQASGZAKTHOE-MRXNPFEDSA-N 325.456 3.752 10 50 EHCA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(F)cc1 2451392 ZDRVPSBAXCVEQL-NTEUORMPSA-N 331.393 3.937 10 50 EHCA CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1O 23282266 QCCKJKZHIICWFC-UHFFFAOYSA-N 346.858 3.767 10 50 EHCA c1ccn2c(CNC3CCN(c4ccc5c(c4)CCC5)CC3)cnc2c1 1506404114 RVIQHTPDGBBXJA-UHFFFAOYSA-N 346.478 3.582 10 50 EHCA Oc1c([C@H](Nc2ccccn2)c2ccncc2)ccc2cccnc12 19843007 GYRDVQBCFXEYGD-GOSISDBHSA-N 328.375 3.932 10 50 EHCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 101371 WRTUBJZHGQTRHY-NTEUORMPSA-N 343.339 3.816 10 50 EHCA COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccs1 118959 FSZZSXFGKSVCJP-GDNBJRDFSA-N 343.379 3.764 10 50 EHCA Cc1cccc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c1O 55060481 VAJXGXPKAHSJJT-UHFFFAOYSA-N 325.387 3.862 10 50 EHCA COc1ccc(OC)c(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C)c1 102148380 BVAXHYVDBBAHQS-NRTINQSCSA-N 338.367 3.579 10 50 EHCA O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(F)cc1 969634 MXGWZPKJPKOGCH-NTEUORMPSA-N 331.393 3.937 10 50 EHCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1C(=O)O 5334185 MMQCQXLMJPBULI-BOPFTXTBSA-N 349.390 3.720 10 50 EHCA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1CCc1ccccc1 19893164 YHXJSLLNANMGLB-FOWTUZBSSA-N 341.457 3.836 10 50 EHCA COc1ccc(O)c([C@H](C)NCc2cccc3c2OC(F)(F)O3)c1 845971122 HFVVNOONCWVWDZ-JTQLQIEISA-N 337.322 3.573 10 50 EHCA CCOc1ccccc1CN(Cc1cccc(OC)c1O)C1CC1 55119197 ZGJCYZYCVAUKJQ-UHFFFAOYSA-N 327.424 3.964 10 50 EHCA O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)Nc1ccccc1 4784040 WEQKDPGAMXVOTM-UHFFFAOYSA-N 348.402 3.811 10 50 EHCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)o1 14011434 JBYHAJNQDWXAOR-LCYFTJDESA-N 331.169 3.848 10 50 EHCA CCc1ccc(N2N=C(C)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 5046952 UXEOTDUAAYXPMK-BOPFTXTBSA-N 336.391 3.769 10 50 EHCA CSc1ccc(C2OC(=O)C(=Cc3cccs3)C(=O)O2)cc1 2999576 FQYURJNQBOXFJW-UHFFFAOYSA-N 332.402 3.652 10 50 EHCA CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1OCC 4694800 XJAHEODUQUPNKP-FOWTUZBSSA-N 346.452 3.550 10 50 EHCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 22310289 RVZVPDDKWBXFID-DHDCSXOGSA-N 343.429 3.812 10 50 EHCA Cn1cc(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)cn1 2325774142 FAFCYVGXATUBGV-UHFFFAOYSA-N 333.435 3.702 10 50 EHCA Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)SC2=S)c1 1159336 VWYCSZARMDVLCY-WQLSENKSSA-N 346.389 3.902 10 50 EHCA CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 5008576 LYEQQFWNXRSVHZ-JXMROGBWSA-N 328.256 3.670 10 50 EHCA Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1c1ccc(C(N)=O)s1 19838943 PXQBMRLIDKHHGN-MRXNPFEDSA-N 343.496 3.559 10 50 EHCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC1CCCCCC1 100149068 WFDBJWXQBAFXKA-ATVHPVEESA-N 342.399 3.514 10 50 EHCA Cc1ccc(CN2CCC(n3cc(C4CCCC4)nn3)CC2)c(O)c1 20167223 CKTKCIOCAHAFOP-UHFFFAOYSA-N 340.471 3.787 10 50 EHCA CC[C@H](NCCc1cc(F)cc2c1OCOC2)c1ccccc1O 155654663 RISINNULPSCKHI-KRWDZBQOSA-N 331.387 3.681 10 50 EHCA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(O)cc1 1202961 ZENZSPKWZZIGSX-ZROIWOOFSA-N 329.402 3.504 10 50 EHCA CN(C)c1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100635250 GXJGLQPTQPZELK-SFHVURJKSA-N 335.386 3.539 10 50 EHCA CCc1ccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccco3)C2=O)cc1 9044834 VEBQWOYTHCITLV-JLJGJNDSSA-N 336.347 3.905 10 50 EHCA O=C(COc1cccc(Cl)c1)NCc1ccc(N2CCCC2)cc1 28047113 NCMDLETXNBWYMV-UHFFFAOYSA-N 344.842 3.635 10 50 EHCA Nc1ccc(CC(=O)NCC[C@H](c2ccccc2)c2ccco2)cc1 827848675 DOBRWMVLLQACHJ-LJQANCHMSA-N 334.419 3.743 10 50 EHCA CCN(CC)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 55292089 CXNVVSIAQLRWAX-UHFFFAOYSA-N 341.474 3.994 10 50 EHCA COc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 12703448 AUSRCOPVDSESEL-QGZVFWFLSA-N 330.403 3.616 10 50 EHCA CCN(CCO)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1 256004273 UIHYHADQHHUIOF-UHFFFAOYSA-N 335.389 3.594 10 50 EHCA c1ccc2c(c1)CC[C@H]2NC1CCN(c2ccc3c(c2)OCO3)CC1 952971970 VYOQBLBDHOBXOB-LJQANCHMSA-N 336.435 3.661 10 50 EHCA COc1ccc(N2CC[C@H](NCc3ccc4ccncc4c3)C2)cc1 1875284444 ZQEFWRUGWZYYFI-IBGZPJMESA-N 333.435 3.612 10 50 EHCA O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 9260494 RBLULJOTNCOCPP-LJQANCHMSA-N 343.386 3.779 10 50 EHCA CC(/C=C1\SC(=S)N(CCCC(=O)O)C1=O)=C\c1ccccc1 12342801 CEKGMWZDBWCZMS-MQZPGMTCSA-N 347.461 3.699 10 50 EHCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccccc1 17348631 YBYSZNOMGYWBBK-RBUKOAKNSA-N 345.398 3.923 10 50 EHCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cccc21 101657053 WKZCYYOAIIRMLF-DCGLDWPTSA-N 345.398 3.837 10 50 EHCA CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O 806149806 IDRZMOOBKWPBBJ-WMLDXEAASA-N 337.822 3.829 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 215830 UPMLUHLPIBAJTJ-UHFFFAOYSA-N 345.830 3.703 10 50 EHCA CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC 1427377 IHHOJQQMPVARNY-FOWTUZBSSA-N 346.452 3.550 10 50 EHCA c1cc(OC[C@H]2CO2)ccc1N=Nc1ccc(OC[C@H]2CO2)cc1 254293731 ZXKWAVIXAFUNSC-ROUUACIJSA-N 326.352 3.657 10 50 EHCA CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)csc1C 13331789 HFYYYGYNUMCMPH-UHFFFAOYSA-N 344.480 3.590 10 50 EHCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)NC2=O)cc1 1147353 WZUWFPOJMZGJTP-RVDMUPIBSA-N 326.446 3.943 10 50 EHCA CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 134757 OCMZYBIJNBPHSL-UHFFFAOYSA-N 325.817 3.970 10 50 EHCA CC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 87249 OGOXQDKTBGYXDB-MRXNPFEDSA-N 326.783 3.819 10 50 EHCA CCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2350517 PLZHTGVGSXRNJL-OWBHPGMISA-N 349.477 3.621 10 50 EHCA COc1cc(Br)cc(CN2CCc3ccccc3C2)c1O 19634430 KSTXHQWIVLIAMK-UHFFFAOYSA-N 348.240 3.722 10 50 EHCA CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 446338 OSCBMTMQZNLLGE-IBGZPJMESA-N 336.347 3.679 10 50 EHCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCC(C)C 1029327 MVXPTSXJQZNWLJ-NTEUORMPSA-N 337.466 3.609 10 50 EHCA CC(=O)c1cnc(NCc2ccc(N3CCC[C@H](C)C3)cc2)nc1C 95386251 KTZACPDDIUDIPP-AWEZNQCLSA-N 338.455 3.836 10 50 EHCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 118318 PMEIWKNMSSSUFB-CYBMUJFWSA-N 327.424 3.752 10 50 EHCA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(F)cc1 16669774 XXRMBLQUJNUNKQ-RIYZIHGNSA-N 347.392 3.643 10 50 EHCA CN1Cc2cc(-c3ccc(Oc4ccc(N)cn4)cc3)ccc2C1=O 1875244531 SZYMDYPHQCSEMK-UHFFFAOYSA-N 331.375 3.709 10 50 EHCA CCN1CCCc2cc(CNc3cc(Cl)ncc3CO)ccc21 2325873097 ZHCFCJFHMIWYJH-UHFFFAOYSA-N 331.847 3.612 10 50 EHCA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c1 12464253 FXQRYZNCQKECNT-CQSZACIVSA-N 345.464 3.866 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 6714808 MIRAXCGPBVRHGY-UHFFFAOYSA-N 339.439 3.666 10 50 EHCA Fc1ccc(N2CCC(NCc3ccc4c(c3)CCO4)CC2)cc1F 1506401991 LHLQTPQQVNIZDA-UHFFFAOYSA-N 344.405 3.658 10 50 EHCA CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 5502637 RZINIOGJBKDVRZ-JLHYYAGUSA-N 336.438 3.986 10 50 EHCA O[C@@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 17191404 QFYGBMHSGIOUDT-GOSISDBHSA-N 345.875 3.511 10 50 EHCA CC[C@@H](Nc1ccccc1CN1CCC(O)CC1)c1ccccc1O 157325227 GSRKNWDUUIZULS-LJQANCHMSA-N 340.467 3.912 10 50 EHCA Oc1cccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)c1 217676188 GGXAPGNFXPGHFF-UHFFFAOYSA-N 333.303 3.641 10 50 EHCA biogenic Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2c[nH]c3ccccc23)C1=O 1244727 WBFHMURCQDFESS-XNTDXEJSSA-N 345.358 3.983 10 50 EHCA biogenic Cc1ccc([C@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 67491106 XCTGVXARRSBCNV-NRFANRHFSA-N 333.435 3.880 10 50 EHCA Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2CO)c(C)n1-c1cccc(Cl)c1 170604166 QBRBLOQFPQRIGX-KZULUSFZSA-N 346.858 3.590 10 50 EHCA Nc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 237928513 DJKABNGQRNXFJL-UHFFFAOYSA-N 327.384 3.713 10 50 EHCA C[C@@H]1C[C@@H](NCCc2ccc3c[nH]nc3c2)c2c(O)ccc(F)c21 793576003 XBYKZFVZGYMSKO-BDJLRTHQSA-N 325.387 3.788 10 50 EHCA CCN(CCO)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1 5139570 UIHYHADQHHUIOF-WUKNDPDISA-N 335.389 3.594 10 50 EHCA in-vitro CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cc(Cl)ccn1 220952115 LZUGUZBSROEMMK-XNTDXEJSSA-N 326.787 3.762 10 50 EHCA COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1O 15723006 RORJJIDQRPTJKK-YBEGLDIGSA-N 340.404 3.792 10 50 EHCA COc1cc(/C=C2\C=C(c3ccccc3)OC2=O)ccc1OC(C)=O 308716 UCZITQGONRVSFT-MHWRWJLKSA-N 336.343 3.602 10 50 EHCA C[C@H](C1CC1)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 930977798 MBFFEJQXOOHMSZ-SNVBAGLBSA-N 334.807 3.535 10 50 EHCA CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 87281 UZLBHGBBHNHZNS-AWEZNQCLSA-N 332.812 3.881 10 50 EHCA O=C1N=C(O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1 8739256 KXBVYOABAOTVEZ-UHFFFAOYSA-N 348.767 3.674 10 50 EHCA [O-]/[N+](=N\c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 100052317 ATQXPBYFCCFPHJ-XLNRJJMWSA-N 334.295 3.712 10 50 EHCA CCOC(=O)c1c(NCc2cc(OC)ccc2O)sc2c1CCC2 477236 WCOMZBAGLWPPEM-UHFFFAOYSA-N 347.436 3.740 10 50 EHCA Nc1ccc(CC(=O)N2CCCC[C@@H]2CCc2cccs2)cc1 952980213 JTBBPCQPJWTESL-QGZVFWFLSA-N 328.481 3.887 10 50 EHCA CCC(=O)N1N=C(c2cccc(OC)c2O)C[C@@H]1c1cccc(C)c1 170618463 YOGBTRHATMUHCQ-QGZVFWFLSA-N 338.407 3.797 10 50 EHCA O=C1c2ccccc2-c2onc3c(Cl)cc(N4CCOCC4)c1c23 4726840 GOTHTFAMHPEVKR-UHFFFAOYSA-N 340.766 3.529 10 50 EHCA COc1ccc(O)c(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c1 12703453 AUSRCOPVDSESEL-KRWDZBQOSA-N 330.403 3.616 10 50 EHCA CC(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 349285 OWRBRNJMOKYORB-MRXNPFEDSA-N 326.779 3.806 10 50 EHCA CC(C)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 455121 UMDUVXFLNKMQSQ-ATVHPVEESA-N 340.423 3.605 10 50 EHCA CCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc2cccnc2c1O 102619 FSLHISZBVSUXSA-SFHVURJKSA-N 336.391 3.565 10 50 EHCA CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 13838099 WNSQESNFRTWKIT-ATVHPVEESA-N 338.432 3.989 10 50 EHCA c1ccn(-c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)c1 1422043 XXAIOGWUTHCLQR-UHFFFAOYSA-N 331.331 3.923 10 50 EHCA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3CC(C)C)C2)c1O 19300999 PJDABHGCRWRRRH-OAHLLOKOSA-N 343.471 3.702 10 50 EHCA COc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)c(O)c1 12001954 WVRBJYZUBLXYPB-QGZVFWFLSA-N 330.403 3.616 10 50 EHCA O=C1NC(=S)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 1452085 NYGLSIBLLIHMHR-KPKJPENVSA-N 332.362 3.980 10 50 EHCA CC[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O 248540271 BFEOHTMAOUQYPU-UXPWSPDFSA-N 339.483 3.739 10 50 EHCA Cc1c(O)c(CN2CCC[C@H](C)C2)cc2c3c(c(=O)oc12)CCC3 5025275 QQUSMDJNSUOXTP-LBPRGKRZSA-N 327.424 3.528 10 50 EHCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 12412817 MYWPOPCUGRJXFC-YVLHZVERSA-N 345.358 3.672 10 50 EHCA Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cnn1C 2798472 BGUPLCQLHDVTHY-DGGAMASNSA-N 343.477 3.691 10 50 EHCA COCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 6180165 LXHIAUXUHAZAHT-YRNVUSSQSA-N 348.276 3.841 10 50 EHCA COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 72437011 SYVPKCWOFWTDFS-UHFFFAOYSA-N 338.451 3.924 10 50 EHCA COc1cccc(OC)c1/C=C1\SC(NC2CCCCC2)=NC1=O 221961772 LHOCVJLTTJZFBE-WJDWOHSUSA-N 346.452 3.596 10 50 EHCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 462701 YMACDADZSNWHCV-MPQOSVQESA-N 349.173 3.604 10 50 EHCA Oc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 82138934 MQBCHQVFLMWXPC-UHFFFAOYSA-N 336.357 3.733 10 50 EHCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19787175 LLOZTZGFSFSCOS-UHFFFAOYSA-N 329.783 3.881 10 50 EHCA biogenic CC[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccncc1 1506409909 VBKJLOJHLFKJFX-GOSISDBHSA-N 339.439 3.520 10 50 EHCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 15659246 SRULBCQLTDESEP-NQDFZQDQSA-N 342.738 3.996 10 50 EHCA CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC)C1=O 15768582 NTAYAHYIYZZYEP-XYOKQWHBSA-N 327.858 3.960 10 50 EHCA Nc1ccc(-n2ncnc2-c2ncc(C(F)(F)F)cc2Cl)cc1 261494859 MXOYWXHILURKOB-UHFFFAOYSA-N 339.708 3.584 10 50 EHCA COc1cccc(O)c1CN(Cc1ccsc1)C[C@@H]1CCCO1 55167452 SOPCMPJJFVBCLW-HNNXBMFYSA-N 333.453 3.644 10 50 EHCA CCn1c(-c2ccc(N3CCN(C)CC3)cc2)nc2c(F)cccc21 2325721554 BABPQKKLZLDROB-UHFFFAOYSA-N 338.430 3.614 10 50 EHCA CCC(=O)N[C@H](c1ccccc1OC)c1ccc2cccnc2c1O 102606 YNEFSMCIIRWGRL-LJQANCHMSA-N 336.391 3.565 10 50 EHCA Cn1ncc2c(-c3ccc(O)c(O)c3)c3oc4cc(O)ccc4c3nc21 253414725 YJMICEZEGQCYBY-UHFFFAOYSA-N 347.330 3.652 10 50 EHCA biogenic COc1ccc(CN2CCC(c3ncc(C)s3)CC2)c(O)c1OC 1333768517 WEGRDJOBMIGFKO-UHFFFAOYSA-N 348.468 3.554 10 50 EHCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)c1 1159695 LFROJHGCAQBAEN-DHDCSXOGSA-N 343.429 3.812 10 50 EHCA CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 3894222 YOCJYBMQWMFFSG-IBGZPJMESA-N 349.434 3.622 10 50 EHCA biogenic O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C1CCCCC1 1091462 GSHNXBHHDWKLDN-OQLLNIDSSA-N 347.461 3.949 10 50 EHCA Cc1cc(N(C)C)ccc1CN1CCC[C@H]1c1ccc(C(N)=O)s1 19838945 PXQBMRLIDKHHGN-INIZCTEOSA-N 343.496 3.559 10 50 EHCA Nc1ccc(Oc2ccc(-c3ccc([C@@H]4CNC(=O)C4)cc3)cc2)nc1 1875245429 ZNCPMIRCQQTSOL-KRWDZBQOSA-N 345.402 3.727 10 50 EHCA CC(C)c1noc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n1 20993055 GTONJXYSLXLGGO-UHFFFAOYSA-N 346.386 3.753 10 50 EHCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccccc3)C(=O)N=C2S1 2824399 INBUCMJDYJDZDS-GQECEEOXSA-N 346.415 3.662 10 50 EHCA O=C(O)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 975584 PHBZBJSIYNXUGX-WQLSENKSSA-N 347.442 3.852 10 50 EHCA CCCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2975756 PYLLWZCWOCKWEU-UHFFFAOYSA-N 338.359 3.792 10 50 EHCA COc1cc(Br)cc(CN2C[C@@H](C)C[C@@H](C)C2)c1O 4988646 CQTBQBLBDYGNTD-PHIMTYICSA-N 328.250 3.641 10 50 EHCA O=C(Cc1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 10113637 DOIMHGHMFCSKPR-UHFFFAOYSA-N 328.843 3.799 10 50 EHCA Nc1ccc(Oc2ccc(-c3ccc([C@H]4CNC(=O)C4)cc3)cc2)nc1 1875245430 ZNCPMIRCQQTSOL-QGZVFWFLSA-N 345.402 3.727 10 50 EHCA CCOC(=O)CCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010047 AAGFNHUSLDNRKV-ACCUITESSA-N 335.450 3.867 10 50 EHCA OC[C@]1(Cc2ccccc2)CCCN(Cc2cc(Cl)ccc2O)C1 12744852 PBYHLNASCZECOD-FQEVSTJZSA-N 345.870 3.863 10 50 EHCA CC[n+]1c(/N=N/S(=O)(=O)c2ccccc2)ccc2ccccc21 4822386 MDSQHNCDVGNOCW-UHFFFAOYSA-N 326.401 3.620 10 50 EHCA CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)SC1=S 100503371 ZFZGTWMQQXYLDH-CCEZHUSRSA-N 330.478 3.940 10 50 EHCA COc1ccc(O)c(CNC(=O)c2cc3c(s2)CCCCC3)c1 170626933 ZWFIOUMWAQIDKD-UHFFFAOYSA-N 331.437 3.661 10 50 EHCA CC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O 102728 GQUKAAWDXGPUOG-QGZVFWFLSA-N 326.783 3.819 10 50 EHCA Oc1ccc2c(c1)oc1c(-c3ccc(O)c(O)c3)c3cn[nH]c3nc12 217615810 NCWJBYWQTOXNJD-UHFFFAOYSA-N 333.303 3.641 10 50 EHCA biogenic Cc1ccsc1CN(CC(C)C)C(=O)NCc1ccc(O)cc1O 534577687 ADAQDUPFPIGSBD-UHFFFAOYSA-N 348.468 3.836 10 50 EHCA Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1 447626 HZLXRPRQKHVGJG-UHFFFAOYSA-N 334.872 3.755 10 50 EHCA COc1cccc(O)c1CN1CCC[C@H](Nc2cccc(F)c2)C1 14957546 WAGCCCQWELDCPB-INIZCTEOSA-N 330.403 3.616 10 50 EHCA CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 118133 KYOLYRGULJYPLX-UHFFFAOYSA-N 332.739 3.820 10 50 EHCA biogenic Cc1ocnc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 225707845 MHJWUHCTYUSXTH-GFCCVEGCSA-N 347.846 3.803 10 50 EHCA COc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 14183161 IOTLGRCIVJPNMF-ZROIWOOFSA-N 331.418 3.690 10 50 EHCA Oc1ccccc1[C@@H]1N=C(c2ccccc2)N=C(c2ccccc2)N1 284066 BPPHRVWNQQYIKO-UHFFFAOYSA-N 327.387 3.888 10 50 EHCA O/[N+](=N\c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 225396442 LTOHYXXQLRPNJC-UHFFFAOYSA-N 335.303 3.604 10 50 EHCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1F 4141747 DFEVZFQTCLUZIG-UHFFFAOYSA-N 345.329 3.853 10 50 EHCA Oc1cc(CN2CCCCCC2)c(O)cc1CN1CCCCCC1 45062 QJEIBGMJALJIGB-UHFFFAOYSA-N 332.488 3.850 10 50 EHCA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(F)cc1 1207560 YQKJSYCUHHVUDH-RIYZIHGNSA-N 332.425 3.722 10 50 EHCA CC1=NN(c2ccccc2)C(=O)/C1=c1\[nH]c2cccc3cccc1c32 685944650 LJSULWJZVHUWFX-ZZEZOPTASA-N 325.371 3.613 10 50 EHCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccncc1 5018957 HHFNRSSLJAWRIT-LCYFTJDESA-N 328.165 3.825 10 50 EHCA Cc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2cc(C)ccc2O)cc1 67491104 XCTGVXARRSBCNV-OAQYLSRUSA-N 333.435 3.880 10 50 EHCA COc1ccc(N2CCN(Cc3ccc(SC)cc3)CC2)cc1 55543504 XVWZKFGLNWBWTI-UHFFFAOYSA-N 328.481 3.739 10 50 EHCA CC[C@H](Nc1ccccc1CN1CCC(O)CC1)c1ccccc1O 157325080 GSRKNWDUUIZULS-IBGZPJMESA-N 340.467 3.912 10 50 EHCA O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1774373 HJGHAHOKZBWVGK-UVTDQMKNSA-N 341.413 3.791 10 50 EHCA in-vitro CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cn1 1857524931 MIKKEJRZYOZEPX-UHFFFAOYSA-N 326.787 3.762 10 50 EHCA C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 152245310 BSGWBGNZJCWZOF-RDTXWAMCSA-N 344.430 3.984 10 50 EHCA CCN(C)c1ccc(CN(C)CC(=O)Nc2cccc(C)c2C)cc1 252539833 OLZKSKSXOHNZQR-UHFFFAOYSA-N 339.483 3.830 10 50 EHCA Oc1ccc(Br)cc1C1=NN[C@H](c2ccc(F)cc2)C1 462547 ADEMRXVZBYKCTR-ZDUSSCGKSA-N 335.176 3.733 10 50 EHCA biogenic CC(=O)N1CC[C@H](NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 152962938 IDEOMNIXJIFJDZ-KRWDZBQOSA-N 346.515 3.698 10 50 EHCA CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2Cl)SC1=S 4579206 WUHWXGWTLMWBDW-KPKJPENVSA-N 326.874 3.627 10 50 EHCA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C 73621 LEXWYGNLTSQMSI-UHFFFAOYSA-N 325.817 3.772 10 50 EHCA CC[C@H]1CN(Cc2cccc(OC)c2O)Cc2cc(OC)ccc2O1 12453646 HJWHXLJRJQNYRM-INIZCTEOSA-N 343.423 3.583 10 50 EHCA C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 13671450 FCXVCSCSLWYZQJ-HNNXBMFYSA-N 342.414 3.510 10 50 EHCA CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 4892204 NTTAZTWZXZNSCB-MDWZMJQESA-N 346.389 3.686 10 50 EHCA CCOc1cc(CN(CC)Cc2ccc(N(C)C)cc2)ccc1O 225534294 DQRCPTZUEDPUFZ-UHFFFAOYSA-N 328.456 3.879 10 50 EHCA CCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 9270943 VKBUYHLFYCQFIJ-LCYFTJDESA-N 329.450 3.688 10 50 EHCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cccc21 101657045 WKZCYYOAIIRMLF-GDZNZVCISA-N 345.398 3.837 10 50 EHCA Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 72115972 KWRYFORSAJQINB-KRWDZBQOSA-N 338.451 3.679 10 50 EHCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1cccnc1 1146701 QYTUMCWUNDRGIX-ZSOIEALJSA-N 330.409 3.622 10 50 EHCA COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-] 12363632 HIVUSBBFSDYUEH-OQLLNIDSSA-N 337.331 3.893 10 50 EHCA O=C1Nc2ccccc2[C@@]12NN=C(c1cccc3ccccc13)S2 670433375 SEFITSHHMJOSGO-IBGZPJMESA-N 331.400 3.643 10 50 EHCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 55292181 RBIRNMUNSJIRKD-ZDUSSCGKSA-N 332.227 3.617 10 50 EHCA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3sccc3C)C2)c1 12464256 FXQRYZNCQKECNT-AWEZNQCLSA-N 345.464 3.866 10 50 EHCA O=S(=O)(O)c1cccc(N=Nc2ccc3c(O)cccc3c2O)c1 257347797 UWKRNTUZFVYPLZ-UHFFFAOYSA-N 344.348 3.913 10 50 EHCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1211076 GGKRDSVPAHFGQP-ADVUTCEVSA-N 343.429 3.514 10 50 EHCA Cc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1-c1ccccc1 75556663 UXKZXEYCNOJVMN-QGZVFWFLSA-N 348.450 3.837 10 50 EHCA Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 2172637 WJMKTAYUTQTWMX-ZWKOTPCHSA-N 333.815 3.551 10 50 EHCA C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccc1O 72410917 KKDNREFLBZHRSJ-CQSZACIVSA-N 327.424 3.587 10 50 EHCA COc1ccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1 13616758 UDTJRGWHIJZBKB-UVTDQMKNSA-N 338.359 3.694 10 50 EHCA CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1 22239138 NQTHJHMWHZVXDL-LDADJPATSA-N 337.423 3.617 10 50 EHCA O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1Cc1ccccc1Cl 464050 CXDUWZWIBRRFLV-XYOKQWHBSA-N 346.795 3.904 10 50 EHCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1O 15011463 AMYMEJDOXQUFPU-XNTDXEJSSA-N 349.477 3.935 10 50 EHCA CCN(CC)Cc1c(O)ccc2c(CN(CC)CC)c(O)ccc12 3296915 CDKZLKUKBANDGR-UHFFFAOYSA-N 330.472 3.935 10 50 EHCA CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N)cc3)n2)s1 4116996 UERVOUWIQXOWFB-UHFFFAOYSA-N 345.453 3.859 10 50 EHCA Cc1nc(N)sc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1 4123319 WNBYEEZWEBAPPT-UHFFFAOYSA-N 333.398 3.809 10 50 EHCA CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 612940 ZKKSKPADAMRBPP-IBGZPJMESA-N 325.387 3.589 10 50 EHCA CN1C(=O)/C(=C/c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC1=S 1194645 BDGNDXOEIPPUDI-YWEYNIOJSA-N 349.220 3.733 10 50 EHCA Cc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 439395 NHWDUQYATVSXDO-MDWZMJQESA-N 347.201 3.763 10 50 EHCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCC 1190221 FFLOMPUTWSSDAS-YRNVUSSQSA-N 343.857 3.626 10 50 EHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)C(C)(C)C)ccc12 1165215 TZDUNJUJCBEFLD-UHFFFAOYSA-N 340.375 3.949 10 50 EHCA Cc1c(CNCc2ccc(N3CCCC3)nc2)n(C)c2ccccc12 355123955 NVPDZXCZXXHBLA-UHFFFAOYSA-N 334.467 3.772 10 50 EHCA COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)c(OC)c1 19891677 QCOBQXGYRMQADS-VGOFMYFVSA-N 337.466 3.561 10 50 EHCA O=C1c2ccccc2C(=O)C1C1(O)c2ccccc2Oc2ccccc21 100704217 CFBGJLGQPKETPB-UHFFFAOYSA-N 342.350 3.724 10 50 EHCA COc1cc(C)cc(CN(C)[C@H]2CCCc3nc(C)sc32)c1O 164321514 PKCSRDOBAQURJA-HNNXBMFYSA-N 332.469 3.984 10 50 EHCA CCCOc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 170609667 LBONWRKHXURSMU-CYBMUJFWSA-N 344.411 3.639 10 50 EHCA CC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O 775527408 XILWBNRZGNPCJQ-RDJZCZTQSA-N 337.822 3.829 10 50 EHCA CN(C)CCOc1ccc(N(C)Cc2ccc3ccncc3c2)cc1 1875318550 RZPYRXHNEBMVIR-UHFFFAOYSA-N 335.451 3.812 10 50 EHCA COc1cc(Br)cc(CN2C[C@H](C)C[C@@H](C)C2)c1O 4988650 CQTBQBLBDYGNTD-GHMZBOCLSA-N 328.250 3.641 10 50 EHCA CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 4596657 RFCSAALYIPRRKE-MDWZMJQESA-N 346.389 3.686 10 50 EHCA Cc1cc(C(=O)N2CC[C@H](C)[C@H]2CO)c(C)n1-c1cccc(Cl)c1 170604164 QBRBLOQFPQRIGX-KPZWWZAWSA-N 346.858 3.590 10 50 EHCA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1O 4942462 SZEWRGYCLBCOAU-CYBMUJFWSA-N 330.409 3.550 10 50 EHCA Cc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 18087341 QECOTHWWYCWPSJ-UHFFFAOYSA-N 334.404 3.790 10 50 EHCA CC[C@@H](N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O 156912601 CPESEZYJNYEXHY-CABCVRRESA-N 325.330 3.584 10 50 EHCA O=[N+]([O-])c1cc(NCc2cc(Br)ccc2O)ccc1F 732336 PAVKOPJNZMQEKA-UHFFFAOYSA-N 341.136 3.814 10 50 EHCA Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2)cc1 462827 UBAVJSAWIHFCLP-CQSZACIVSA-N 331.213 3.902 10 50 EHCA CN(C)Cc1cc(C(C)(C)c2ccccc2)cc(CN(C)C)c1O 5041806 WNUAJETWPQANQU-UHFFFAOYSA-N 326.484 3.841 10 50 EHCA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@@H]1CC=C[C@@H]31 169682593 XIFMNZHDPSPECA-IBDZOAASSA-N 327.811 3.946 10 50 EHCA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 84704236 NLAXTZPUTNGRDU-UHFFFAOYSA-N 327.453 3.693 10 50 EHCA in-vitro CCOC(=O)c1sc2nccc(NCc3ccccc3)c2c1N 207000 GTXBPBZPCJTIIW-UHFFFAOYSA-N 327.409 3.667 10 50 EHCA COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 76865 IOEYGCHKPFWDEG-UHFFFAOYSA-N 349.386 3.647 10 50 EHCA biogenic CCCOc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 170609666 LBONWRKHXURSMU-ZDUSSCGKSA-N 344.411 3.639 10 50 EHCA COc1ccc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)cc1 614278 OQKKHJNYSVQJIV-UHFFFAOYSA-N 344.842 3.619 10 50 EHCA CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 5008602 UHRHLJWZNNPWQE-MDWZMJQESA-N 346.389 3.686 10 50 EHCA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccccc1F 19883377 FZBLWGJNAGYPIH-UHFFFAOYSA-N 343.354 3.800 10 50 EHCA COCCN(Cc1ccc(C)s1)C(=O)N[C@H](C)c1ccccc1O 534639970 NVRKIIJNJOSDQA-CQSZACIVSA-N 348.468 3.681 10 50 EHCA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 361251 LKXDNKFSHKMSPO-UHFFFAOYSA-N 332.208 3.808 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 6698792 NUKCPVGIJPQTSB-UHFFFAOYSA-N 339.439 3.666 10 50 EHCA Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c(C)n1-c1cccc(Cl)c1 170604163 QBRBLOQFPQRIGX-XIKOKIGWSA-N 346.858 3.590 10 50 EHCA O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)c(O)c(Cl)c1 194402575 HIQSXPJKRZJCPF-UHFFFAOYSA-N 348.805 3.715 10 50 EHCA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)SC1=S 1163130 VEOAXXVWWKWFMR-SDQBBNPISA-N 343.857 3.578 10 50 EHCA c1cc(OC[C@@H]2CO2)ccc1N=Nc1ccc(OC[C@@H]2CO2)cc1 254293728 ZXKWAVIXAFUNSC-QZTJIDSGSA-N 326.352 3.657 10 50 EHCA Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)C(O)=NC2=S)c1 441021 QQCAGPSNCMURMM-UVDQGBRZSA-N 338.388 3.816 10 50 EHCA C[C@H]1C[C@H](NCCc2ccc3c[nH]nc3c2)c2c(O)ccc(F)c21 793576018 XBYKZFVZGYMSKO-ZBEGNZNMSA-N 325.387 3.788 10 50 EHCA CN1C(=O)/C(=C\C=C\c2ccc(Br)cc2)SC1=S 15011507 JBJVRZXZDBYWNX-TTWWKFCBSA-N 340.267 3.836 10 50 EHCA CC[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccccc1O 155304197 NOBHDQACOSQUPR-QGZVFWFLSA-N 325.387 3.958 10 50 EHCA O=C(NCc1ccc(Br)cc1O)OCc1ccccc1 35287546 WCYLRGVFURSSRN-UHFFFAOYSA-N 336.185 3.581 10 50 EHCA in-vitro Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 134751 IFRPXRLXPYRTCA-UHFFFAOYSA-N 332.208 3.808 10 50 EHCA O=C(O)c1ccc2c(c1Nc1ccccc1)C(=O)c1ccccc1C2=O 3898665 GNYBNEOJUARKPW-UHFFFAOYSA-N 343.338 3.904 10 50 EHCA CCCN(Cc1cc(Br)cc(OC)c1O)CC1CC1 6398234 XSMOZCVIYHWQGF-UHFFFAOYSA-N 328.250 3.785 10 50 EHCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1211079 GGKRDSVPAHFGQP-AHEVQNHNSA-N 343.429 3.514 10 50 EHCA Cc1nc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)s1 216346368 CERGDJBAGSBQPK-CYBMUJFWSA-N 343.496 3.926 10 50 EHCA CCCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 6264160 VQGHRWDNIWMIPB-GXDHUFHOSA-N 337.466 3.792 10 50 EHCA CCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 2144629 NWWZJLRZCYKKNH-UHFFFAOYSA-N 332.403 3.962 10 50 EHCA biogenic COC(=O)c1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 257243 AZLNFANHCDTUAJ-WJDWOHSUSA-N 337.400 3.843 10 50 EHCA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3C(C)C)C2)c1 20202295 COLYYMDVRUPQJI-CQSZACIVSA-N 329.444 3.627 10 50 EHCA COc1ccc(O)c(CN[C@H]2CCCN(CC3CCCCC3)C2)c1 23374041 LZSQEVMLRKLPFG-SFHVURJKSA-N 332.488 3.535 10 50 EHCA c1ccc(-c2ncn3c2CN(Cc2ccc(N4CCC4)cc2)CC3)cc1 2325807619 HKJHLPRQBIDJGT-UHFFFAOYSA-N 344.462 3.776 10 50 EHCA CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 245333 DGJBDLGVFUCLON-LJQANCHMSA-N 336.347 3.679 10 50 EHCA Oc1ccc(Br)cc1C1=NN[C@@H](c2ccc(F)cc2)C1 462546 ADEMRXVZBYKCTR-CYBMUJFWSA-N 335.176 3.733 10 50 EHCA biogenic O=C1/C(=C\c2ccc(O)cc2O)SC(=S)N1c1ccccc1 4661927 PTMNLRHJDFCBOR-RIYZIHGNSA-N 329.402 3.504 10 50 EHCA CC1(C)C[C@](C)(c2ccc(O)cc2O)N(c2ccccc2)C(=S)N1 2478981 IRCDAEWEPNZEPA-LJQANCHMSA-N 342.464 3.876 10 50 EHCA CC(=O)Nc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 1857524936 SKQPOQLSLLROJI-UHFFFAOYSA-N 348.406 3.672 10 50 EHCA COc1ccc2c(c1)c(=O)oc1cc(O[C@@H]3CCCCC3=O)ccc12 523058 JTXXZSZCCYEPDL-GOSISDBHSA-N 338.359 3.845 10 50 EHCA CC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O 775527407 XILWBNRZGNPCJQ-NVXWUHKLSA-N 337.822 3.829 10 50 EHCA Oc1ccc(Br)cc1[C@H]1NCCc2c1[nH]c1ccccc21 22204743 DUDJJSRTYYNMHC-MRXNPFEDSA-N 343.224 3.871 10 50 EHCA CC[C@@H](NCCc1cc(F)cc2c1OCOC2)c1ccccc1O 155654763 RISINNULPSCKHI-QGZVFWFLSA-N 331.387 3.681 10 50 EHCA CCC(=O)N1N=C(c2cccc(OC)c2O)C[C@H]1c1cccc(C)c1 170618462 YOGBTRHATMUHCQ-KRWDZBQOSA-N 338.407 3.797 10 50 EHCA Cc1cccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)c1 23279527 VIZOVBRKKCXFMJ-RVDMUPIBSA-N 332.494 3.640 10 50 EHCA CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@@H]1c1cccs1 252489547 JTDHXYNPMKQGNS-CQSZACIVSA-N 330.409 3.550 10 50 EHCA Cc1cc(C)cc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)c1 37964 QIEBLBCTPZCVSW-UHFFFAOYSA-N 339.391 3.969 10 50 EHCA COc1ccc(C2=C/C(=C\c3cccc(OC(C)=O)c3)C(=O)O2)cc1 447405 IQGMCCNMZJSDHT-MHWRWJLKSA-N 336.343 3.602 10 50 EHCA CC(C)[C@@H](NCc1cc(Cl)cc(F)c1O)c1nnc2ccccn12 1875284734 JWBZPWFFOUTZBN-OAHLLOKOSA-N 348.809 3.714 10 50 EHCA COc1ccc(O)c([C@H](C)NC(=O)c2ccsc2C(F)F)c1 934939718 CHMRZNZQHJTBNW-QMMMGPOBSA-N 327.352 3.891 10 50 EHCA Cc1ccc(O)c(CN2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1 65533793 IIWJLXJGTOGXNR-OAHLLOKOSA-N 329.444 3.662 10 50 EHCA CN(C)c1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc1 16770040 JWEILOGFOMOOHH-WJDWOHSUSA-N 339.420 3.541 10 50 EHCA Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)nn1C1CCCCC1 931493784 XLTFFERNXTTWOM-UHFFFAOYSA-N 340.427 3.950 10 50 EHCA O=C1N=C(Nc2ccccc2F)S/C1=C\c1ccc(C(=O)O)cc1 33932405 SYCKPHBALHXMIR-ZROIWOOFSA-N 342.351 3.606 10 50 EHCA in-vitro CC[C@H](NC(=O)c1ccc(C)c(-n2c(C)ccc2C)c1)C1CC(O)C1 219935657 VLXBTEMRODCGJH-ACBHZAAOSA-N 340.467 3.682 10 50 EHCA COc1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 13331715 QHWXLDUIAZVYPO-UHFFFAOYSA-N 330.472 3.704 10 50 EHCA c1ccc2c(c1)CC[C@@H]2NC1CCN(c2ccc3c(c2)OCO3)CC1 952971957 VYOQBLBDHOBXOB-IBGZPJMESA-N 336.435 3.661 10 50 EHCA CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1823071 NTTAZTWZXZNSCB-JYRVWZFOSA-N 346.389 3.686 10 50 EHCA O=c1cc(-c2ccccc2)c2cc(Cl)c(OC[C@@H]3CO3)cc2o1 30822700 YYATWTQAWFFZNT-LBPRGKRZSA-N 328.751 3.891 10 50 EHCA Cc1noc([C@H]2CCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 408519728 VXZKLSZGOYKGAU-SFHVURJKSA-N 340.471 3.666 10 50 EHCA C[C@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccccc1 237601286 WQVATQGUXFLWMM-AUUYWEPGSA-N 326.465 3.517 10 50 EHCA CCCc1cc(=O)oc2cc(OCc3cc(C(=O)O)oc3C)ccc12 319084 OQBSCTPZFDQQEF-UHFFFAOYSA-N 342.347 3.924 10 50 EHCA biogenic Cc1cc(/C=C2\SC(N)=NC2=O)c(C)n1-c1ccc(Cl)cc1 5127132 FNNVCBHKGRWGBD-ZSOIEALJSA-N 331.828 3.677 10 50 EHCA O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Br)c1 13114195 GPFYMPXJAKGHIU-XFXZXTDPSA-N 337.242 3.515 10 50 EHCA CCN(CC)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1F 170623352 VBIIVJFFPKPRJB-UHFFFAOYSA-N 340.402 3.521 10 50 EHCA CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 4688002 VFBHDUIGFYCUKA-GXDHUFHOSA-N 327.409 3.545 10 50 EHCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(C)C 1156962 SYVBBRCJLBLCNW-RIYZIHGNSA-N 337.466 3.609 10 50 EHCA Cc1cc(C(=O)Nc2cccc(CO)c2)c(C)n1-c1ccccc1F 120617636 OZRLMWPFFYLJES-UHFFFAOYSA-N 338.382 3.978 10 50 EHCA O=C(Cc1ccc(O)c(O)c1)N[C@H](CC1CC1)c1ccc(Cl)cc1 2325783212 CTFPBJNTOYBHGO-MRXNPFEDSA-N 345.826 3.951 10 50 EHCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Cl)cn1 15134065 MIKKEJRZYOZEPX-GDNBJRDFSA-N 326.787 3.762 10 50 EHCA CCCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 2706922 RFJYKRXXKZNKMG-UVTDQMKNSA-N 337.466 3.792 10 50 EHCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccnc1 275187 MAJGGPLABDVJHD-JYRVWZFOSA-N 328.165 3.825 10 50 EHCA CCOC(=O)c1ccc(/N=[N+](\[O-])c2ccc(C(=O)OCC)cc2)cc1 5650693 LOOVRYZFUGHEMF-VXPUYCOJSA-N 342.351 3.966 10 50 EHCA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 613627 NOBALSNSCSXDIN-IBGZPJMESA-N 339.414 3.979 10 50 EHCA COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2sccc2C)C1 12302260 WRHNTUPNCQEWMM-CQSZACIVSA-N 345.464 3.866 10 50 EHCA Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCC[C@@H](C)C1)CCC3 19912933 LLIYLPUJZHLKKS-GFCCVEGCSA-N 327.424 3.528 10 50 EHCA CC1CCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)CC1 6142181 GEEDXBARCMXBCA-UHFFFAOYSA-N 327.424 3.609 10 50 EHCA biogenic CCC(=O)N[C@H](c1ccc(OC)cc1)c1ccc2cccnc2c1O 102625 FSLHISZBVSUXSA-GOSISDBHSA-N 336.391 3.565 10 50 EHCA O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 9260493 RBLULJOTNCOCPP-IBGZPJMESA-N 343.386 3.779 10 50 EHCA Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 225489558 NRBDEHYDZXSRAR-QZTJIDSGSA-N 328.843 3.917 10 50 EHCA Nc1ccc(CC(=O)N2CCCC[C@H]2CCc2cccc(O)c2)cc1 1506418969 VICGJVKBCBXLFB-IBGZPJMESA-N 338.451 3.531 10 50 EHCA COc1ccc(OC)c(C2=C/C(=C/c3ccccc3F)C(=O)O2)c1 5018596 VCTDFCPCATZUKC-LCYFTJDESA-N 326.323 3.824 10 50 EHCA CCc1ccc(N2N=C(C)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 134843 YLKSJUQHVOXQJM-YVLHZVERSA-N 334.375 3.784 10 50 EHCA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(N(C)C)cc1 613563 RMCJSBYGBLYBCV-INIZCTEOSA-N 327.453 3.902 10 50 EHCA C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccccc1O 72432566 ZCMFBUKDFVCKKZ-CQSZACIVSA-N 327.424 3.587 10 50 EHCA O=C1Nc2ccccc2[C@]12NN=C(c1cccc3ccccc13)S2 670433376 SEFITSHHMJOSGO-LJQANCHMSA-N 331.400 3.643 10 50 EHCA CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1c(F)cccc1Cl 6701761 SDDOMSRMWSQWAA-HNNXBMFYSA-N 332.762 3.882 10 50 EHCA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Cl)cc3c2N1C[C@H]1CC=C[C@H]31 239433185 XIFMNZHDPSPECA-ANXWAFIOSA-N 327.811 3.946 10 50 EHCA CC(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc2n1 158905337 KUIOBLBDTYAVOI-UHFFFAOYSA-N 336.391 3.699 10 50 EHCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OC)cc3)C(=O)N=C2S1 4725404 WFQIOEJURRGBGU-JADYNCEHSA-N 342.424 3.505 10 50 EHCA Cc1nc(N)sc1-c1csc(Nc2ccccc2[N+](=O)[O-])n1 5063497 BIUPPSDKPWNUJY-UHFFFAOYSA-N 333.398 3.809 10 50 EHCA Cc1cnc(C)c(-c2ccc(O)c(CN(C)Cc3nccs3)c2)n1 20210344 WJCZUUZQZCCFDR-UHFFFAOYSA-N 340.452 3.555 10 50 EHCA CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1O 13403728 NINQWTZFJPOKLG-ZSOIEALJSA-N 337.466 3.648 10 50 EHCA CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 102701 IXRHAWQJTWGCCU-MRXNPFEDSA-N 326.783 3.819 10 50 EHCA COc1ccc(-c2ccc(CCC(=O)O)n2Cc2ccco2)cc1 470001 CHRFPORPDKLZFS-UHFFFAOYSA-N 325.364 3.822 10 50 EHCA O=C(/C=C/c1ccco1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4904283 NPUCYDRZVOPHLX-ZHACJKMWSA-N 343.338 3.707 10 50 EHCA C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2cc[nH]c12 2325806022 MNVQZXQSZKPRHY-MRXNPFEDSA-N 349.478 3.980 10 50 EHCA COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OC 4614044 IAPIHAGWQUEMIA-BOPFTXTBSA-N 336.391 3.818 10 50 EHCA C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCC2)cc1 67621378 AQGOYOUTYHPCCW-OAHLLOKOSA-N 342.414 3.682 10 50 EHCA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cccc(F)c1 1172635 CCDBFVZQIVLYCS-VGOFMYFVSA-N 332.425 3.722 10 50 EHCA CC[C@H](N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O 156912754 CPESEZYJNYEXHY-LSDHHAIUSA-N 325.330 3.584 10 50 EHCA Nc1cccc2c1CCCN2C(=O)/C=C/c1cncc2ccccc12 126487883 DEXBCQDVMYMQGB-ZHACJKMWSA-N 329.403 3.810 10 50 EHCA C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2cc[nH]c12 2325806021 MNVQZXQSZKPRHY-INIZCTEOSA-N 349.478 3.980 10 50 EHCA CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3CC(N)=O)cc21 65395689 ZBKOWLFCCAKPMR-UHFFFAOYSA-N 344.418 3.677 10 50 EHCA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccccc1O 72432564 ZCMFBUKDFVCKKZ-AWEZNQCLSA-N 327.424 3.587 10 50 EHCA Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 4343638 MHXFWEJMQVIWDH-UHFFFAOYSA-N 331.327 3.542 10 50 EHCA CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1 1211829 OVQJQHKWRIDXAG-MHWRWJLKSA-N 326.421 3.980 10 50 EHCA COc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 5593466 XITXPORAXZSLRS-UHFFFAOYSA-N 347.827 3.956 10 50 EHCA CCc1ccc(-c2n[nH]cc2/C=C2\SC(=S)N(CC)C2=O)cc1 17071729 RTLVSKAQYPSQIH-ZROIWOOFSA-N 343.477 3.860 10 50 EHCA c1cc2c(s1)CCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2 1506403815 OCNXKUJETRSWJD-UHFFFAOYSA-N 342.464 3.504 10 50 EHCA COC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2900250 RCTZSQOCSPBCCT-OWBHPGMISA-N 349.477 3.621 10 50 EHCA CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 102694 IXRHAWQJTWGCCU-INIZCTEOSA-N 326.783 3.819 10 50 EHCA CCc1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 8688008 RXCFONMCJDXLSB-UHFFFAOYSA-N 339.439 3.612 10 50 EHCA CC[C@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 118315 PMEIWKNMSSSUFB-ZDUSSCGKSA-N 327.424 3.752 10 50 EHCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccccc1 4471643 YYJHBJZHHUGFBT-OQLLNIDSSA-N 341.413 3.821 10 50 EHCA COc1ccc(OC)c([C@H]2CCN(Cc3cc(C)ccc3O)C2)c1 65408306 YVFQMWSYQHJSSR-HNNXBMFYSA-N 327.424 3.707 10 50 EHCA COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2C(F)F)c1 934939715 CHMRZNZQHJTBNW-MRVPVSSYSA-N 327.352 3.891 10 50 EHCA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2Cc3ccncc3C2)c1 808101768 OLYFHABQMYRRLS-UHFFFAOYSA-N 331.419 3.954 10 50 EHCA CCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)SC1=S 1161052 GOKOLMSOIMVWAI-DHDCSXOGSA-N 343.477 3.710 10 50 EHCA Oc1ccc(F)cc1CN1CCC(n2cc(C3CCCC3)nn2)CC1 20118992 JDIXDANOSMSCTK-UHFFFAOYSA-N 344.434 3.618 10 50 EHCA CCCCC1(C)OC(=O)C(=Cc2ccc(N(CC)CC)cc2)C(=O)O1 2972863 NKGVPGLJZPNUGY-UHFFFAOYSA-N 345.439 3.923 10 50 EHCA COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)c(OC)c1 15724604 DFOSGGZAMUUHMN-YVLHZVERSA-N 340.354 3.649 10 50 EHCA CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 446339 OSCBMTMQZNLLGE-LJQANCHMSA-N 336.347 3.679 10 50 EHCA CCOC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3892425 CDWWJJUGAPQPFT-ZDUSSCGKSA-N 338.359 3.790 10 50 EHCA biogenic COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc1 19335797 USRXTTQEZVWJKC-QFIPXVFZSA-N 349.430 3.976 10 50 EHCA CC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2cc(OC)ccc2O1 12453644 HJWHXLJRJQNYRM-MRXNPFEDSA-N 343.423 3.583 10 50 EHCA O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1F 2868002 BTXWOQBYISISBP-UKTHLTGXSA-N 349.321 3.814 10 50 EHCA Cc1ccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccco3)C2=O)cc1C 450971 ZRUZNXPVKAJDBM-FWPHUCDGSA-N 336.347 3.959 10 50 EHCA CCOc1cccc(CN2CCN(c3cc(C)ccc3C)CC2)c1O 16662805 GNNWXRUMVFEIII-UHFFFAOYSA-N 340.467 3.730 10 50 EHCA CC1(C)OC(=O)C(=CSc2cccc(C(F)(F)F)c2)C(=O)O1 1404299 WFQOVJFUAHZUEV-UHFFFAOYSA-N 332.299 3.518 10 50 EHCA CN(C)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 176521 JEEVNSPXLFLGSX-YBEGLDIGSA-N 326.783 3.751 10 50 EHCA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc(F)cc1 401001 YPZNEHRGGBVJNF-UHFFFAOYSA-N 327.355 3.675 10 50 EHCA O=C(O)c1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 2988292 JSYFIMCBZAZWCV-GXDHUFHOSA-N 347.461 3.919 10 50 EHCA O=C1c2ccccc2-c2n[nH]c(=O)c3ccc(NC4CCCCC4)c1c23 17779352 GAEAXAZUJNAMFO-UHFFFAOYSA-N 345.402 3.879 10 50 EHCA COc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 13659141 SSRNFZVWAZNIOY-GDNBJRDFSA-N 343.429 3.807 10 50 EHCA Cc1ccccc1/C=C1/C(=N)N2N=C(CC(C)C)SC2=NC1=O 121384 SDFMLBXEOPYTCS-CRFANRBNSA-N 326.425 3.660 10 50 EHCA c1cncc(-c2n[nH]cc2CN2CC3(CCOCC3)c3ccccc32)c1 191616589 TUWAPCPQZHCKPJ-UHFFFAOYSA-N 346.434 3.540 10 50 EHCA CC(=O)c1cc(Cl)cc(C[N+](C)(C)CCOc2ccccc2)c1O 3148976 FABWFDLVLSFHKP-UHFFFAOYSA-O 348.850 3.904 10 50 EHCA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(C)c1 380168 IDQBYRPVVKGMHE-UHFFFAOYSA-N 325.817 3.772 10 50 EHCA CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O 775527409 XILWBNRZGNPCJQ-WBVHZDCISA-N 337.822 3.829 10 50 EHCA C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccncc3)cc2)C1 97259260 IANRPONZIATRAI-QGZVFWFLSA-N 337.467 3.567 10 50 EHCA COc1ccc(N2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)cc1 6714745 VAORVVDJLMRTEJ-UHFFFAOYSA-N 338.451 3.583 10 50 EHCA O=C1NN=C(C(F)(F)F)C1=CNc1ccc(Oc2ccccc2)cc1 2053528589 MUJKNWMKAIBWNC-UHFFFAOYSA-N 347.296 3.823 10 50 EHCA CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(F)c(Cl)c1 170618973 YJDVGOLCFLLFMM-INIZCTEOSA-N 332.762 3.882 10 50 EHCA Cc1cc(C)cc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)c1 9423046 FSRRDLDMBWIJHS-UHFFFAOYSA-N 325.408 3.876 10 50 EHCA COC(=O)c1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4623235 QGFMWUZSOBRNDZ-UHFFFAOYSA-N 345.358 3.981 10 50 EHCA O=C(N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1)C(F)(F)F 170620255 DPVNKEJEWVKDFZ-CQSZACIVSA-N 334.297 3.632 10 50 EHCA Cc1cc(-n2c(C)cc(C=O)c2C)ccc1I 446602 RUSGOYZIEBVYFJ-UHFFFAOYSA-N 339.176 3.820 10 50 EHCA Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 59917 BUJVLNOOZZQRSE-UHFFFAOYSA-N 330.343 3.862 10 50 EHCA COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1 190506 HRKHVNBKAKFINO-UHFFFAOYSA-N 348.453 3.918 10 50 EHCA CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1cccs1 253426269 GGYDQJGWXGVLCJ-ZDUSSCGKSA-N 330.409 3.550 10 50 EHCA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 13739507 CTKOVQLPNZDIAI-ZROIWOOFSA-N 331.418 3.690 10 50 EHCA Cc1ccc(O)c(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)c1 65533788 IIWJLXJGTOGXNR-HNNXBMFYSA-N 329.444 3.662 10 50 EHCA COc1ccc(N2CCN(C(=O)c3csc(C(C)C)c3)CC2)cc1 12382866 IHGWNAYCMZGYOC-UHFFFAOYSA-N 344.480 3.843 10 50 EHCA Clc1ccc(N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)nn1 1165178047 XWYHGKXBUKWJPJ-YIOZNXECSA-N 344.890 3.529 10 50 EHCA COc1ccc(C2=C/C(=C/c3ccc(OC)cc3OC)C(=O)O2)cc1 22135404 WRQAIVYXVZEEKV-GDNBJRDFSA-N 338.359 3.694 10 50 EHCA Cn1c(CNc2ccccc2C(=O)c2ccccc2)nnc1C1CC1 192587172 UBSDUKPOWFJHOY-UHFFFAOYSA-N 332.407 3.536 10 50 EHCA Cc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 1159590 CKKYLXLCDXZSCB-WQLSENKSSA-N 346.389 3.902 10 50 EHCA CCN(CC)c1ccc([C@@H]2NC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 183616 PKLBKECPTTUKNK-RTBURBONSA-N 341.411 3.801 10 50 EHCA CCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 4506157 RFJYKRXXKZNKMG-GXDHUFHOSA-N 337.466 3.792 10 50 EHCA COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 13323071 HSDOQPUQUMUAMB-UHFFFAOYSA-N 339.439 3.666 10 50 EHCA NN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 1006710 YPDVXNOSIUUQHM-GHXNOFRVSA-N 336.825 3.675 10 50 EHCA Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 67604961 ZUJKAGDGAJSOPA-UHFFFAOYSA-N 338.451 3.599 10 50 EHCA O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccco1 16671111 SAYINLAWDRJORQ-JYRVWZFOSA-N 346.389 3.589 10 50 EHCA O=C(N1N=C(c2ccccc2O)C[C@H]1c1ccccc1)C(F)(F)F 170620254 DPVNKEJEWVKDFZ-AWEZNQCLSA-N 334.297 3.632 10 50 EHCA COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)c(OC)c1 613669 VQFZHSYGNAHMSM-UHFFFAOYSA-N 348.453 3.918 10 50 EHCA COCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2677637 DUAYVIJCTVFZGC-WDZFZDKYSA-N 348.276 3.841 10 50 EHCA CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 4725621 PDEPVJVKHVLLNC-KAMYIIQDSA-N 349.477 3.540 10 50 EHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 93246 RPRVTMMOEZIAQY-SFQUDFHCSA-N 348.333 3.547 10 50 EHCA Cc1ccc(C)n1-c1ncc(I)cc1Cl 141139838 PZCQRALVOUBUHR-UHFFFAOYSA-N 332.572 3.747 10 50 EHCA CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 612939 ZKKSKPADAMRBPP-LJQANCHMSA-N 325.387 3.589 10 50 EHCA Cc1ccccc1NC(=O)C[C@H]1SC(=O)N(c2ccccc2)C1=O 1318053 RKKBKFJEZACNKO-OAHLLOKOSA-N 340.404 3.592 10 50 EHCA CCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 16049423 LTOHJRWJETYDIL-BJMVGYQFSA-N 346.246 3.809 10 50 EHCA CCN1CCS/C1=C/C=C1/SC(=S)N(c2ccccc2)C1=O 97578159 PZZPIUNFPIPITO-UQNWOCKMSA-N 348.518 3.845 10 50 EHCA CC(=O)c1cnc(NCc2ccc(N3CCC[C@@H](C)C3)cc2)nc1C 95386252 KTZACPDDIUDIPP-CQSZACIVSA-N 338.455 3.836 10 50 EHCA CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)c(OCC)c1 87494 VPORTFBSZSMLQZ-LFIBNONCSA-N 346.452 3.550 10 50 EHCA COc1cccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)c1O 12753675 SDYSNRLYTMXSSH-QGZVFWFLSA-N 330.403 3.616 10 50 EHCA CC1CCN(Cc2c(O)ccc(C(=O)Cc3ccccc3)c2O)CC1 23135354 VXELKIKTXIAGJX-UHFFFAOYSA-N 339.435 3.755 10 50 EHCA biogenic CN1CC[C@@H](COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)C1 170610743 RJSRUIOXMQOCBN-YYZBOFOMSA-N 339.395 3.916 10 50 EHCA C[C@@H]1C[C@H](NCCc2ccc3c[nH]nc3c2)c2c(O)ccc(F)c21 793576009 XBYKZFVZGYMSKO-BZNIZROVSA-N 325.387 3.788 10 50 EHCA Cc1cccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)c1C 196753 IOXBMNWHXGPDDV-UHFFFAOYSA-N 328.481 3.719 10 50 EHCA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1Nc1ccccc1 1210453 SAHHOUGTKHBYQF-UVTDQMKNSA-N 328.418 3.621 10 50 EHCA Oc1ccc(Br)cc1[C@@H]1NCCc2c1[nH]c1ccccc21 22204739 DUDJJSRTYYNMHC-INIZCTEOSA-N 343.224 3.871 10 50 EHCA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(F)cc1 6455264 PMUCQMIYCDLIQN-UHFFFAOYSA-N 338.367 3.620 10 50 EHCA O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(C3CCCCC3)[nH]c21 100434426 PGBGUZRKFRBNBT-UHFFFAOYSA-N 346.386 3.610 10 50 EHCA COCc1csc(CNCc2cc(Br)ccc2O)c1 850378094 RCWQXKWKEZOCIF-UHFFFAOYSA-N 342.258 3.652 10 50 EHCA CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 13745152 IEBADLVMAXTGJA-HXUWFJFHSA-N 338.451 3.538 10 50 EHCA Nc1ccc(CC(=O)N[C@H]2CCC[C@H]2c2ccc(Cl)cc2)cc1 225489650 NRBDEHYDZXSRAR-ROUUACIJSA-N 328.843 3.917 10 50 EHCA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 1208230 VENQLWYJJXDNOD-OQLLNIDSSA-N 330.384 3.899 10 50 EHCA COc1cc(Br)cc(CN2C[C@@H](C)C[C@H](C)C2)c1O 4988648 CQTBQBLBDYGNTD-QWRGUYRKSA-N 328.250 3.641 10 50 EHCA CC1=NN(c2cccc(F)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 16671568 GYVMUUKGUPSVJF-SXGWCWSVSA-N 325.299 3.540 10 50 EHCA O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)cc1 95218081 PSTGXCRSZWLFEE-UHFFFAOYSA-N 349.478 3.817 10 50 EHCA in-vitro COc1ccc(O)c([C@@H](C)NCc2cccc3c2OC(F)(F)O3)c1 845971123 HFVVNOONCWVWDZ-SNVBAGLBSA-N 337.322 3.573 10 50 EHCA Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 1013840 DXNXFDOTFNJPOQ-HNNXBMFYSA-N 340.404 3.592 10 50 EHCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccccc1Cl 9317768 OMIVNLCQFHKAKV-FMVMLBDOSA-N 342.738 3.996 10 50 EHCA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1C1CCCCC1 13602674 GTSZDLFMMXGVJE-ZROIWOOFSA-N 335.450 3.632 10 50 EHCA CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)SC1=S 1135671 QJMCUIUANGRCGQ-PTNGSMBKSA-N 332.494 3.816 10 50 EHCA CC[C@@H](NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1O 156000959 NMHATJDQJLLEFO-GOSISDBHSA-N 325.456 3.805 10 50 EHCA Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cnc1C(F)(F)F 931953969 KSHONWCICNEAFU-UHFFFAOYSA-N 337.301 3.662 10 50 EHCA O=S(=O)(O)c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1 4261869 IGLJWNJJOFKOTF-ISLYRVAYSA-N 344.348 3.913 10 50 EHCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccs1 228770 GMHAQSRSMYJKPB-JXMROGBWSA-N 339.203 3.516 10 50 EHCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1F 4990431 ZECJHXJLPDOKHF-UHFFFAOYSA-N 345.329 3.853 10 50 EHCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\C=C\c3ccco3)C2=O)c1 448957 PCXJQWHDXBGRHP-FWPHUCDGSA-N 336.347 3.959 10 50 EHCA CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 5008533 NXPOAXWIFPXKAK-JXMROGBWSA-N 328.256 3.670 10 50 EHCA CN1C(=O)[C@]2(NN=C(c3cccc4ccccc34)S2)c2ccccc21 241081 MEDYXNSONZYDJM-FQEVSTJZSA-N 345.427 3.667 10 50 EHCA C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 6097154 GGKRDSVPAHFGQP-RSYJBZMQSA-N 343.429 3.514 10 50 EHCA CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6306799 IONMPUVVYKVWBV-NVNXTCNLSA-N 331.462 3.863 10 50 EHCA COc1ccc(N2CSC(=S)N(c3ccc(OC)cc3)C2)cc1 96964 ORDJISIBDAABOZ-UHFFFAOYSA-N 346.477 3.964 10 50 EHCA O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 505562 PGHUFOJFKZXUDV-KRWDZBQOSA-N 332.359 3.977 10 50 EHCA CCN1C(=O)/C(=C/C=C\N2CCCc3ccccc32)SC1=S 16115494 CAJIOGHJTNPRHT-XLFDVFNTSA-N 330.478 3.717 10 50 EHCA O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc2ccccc12 616380 BOXNIQZYVTYTBQ-UHFFFAOYSA-N 333.796 4.000 10 50 EHCA COc1ccccc1[C@H]1CC(c2cc(Br)ccc2O)=NN1 4916366 PFILICLWKWHUSX-CYBMUJFWSA-N 347.212 3.602 10 50 EHCA biogenic CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 13745154 IEBADLVMAXTGJA-FQEVSTJZSA-N 338.451 3.538 10 50 EHCA CCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 17070937 LNFNDAQTMFWTJY-UVTDQMKNSA-N 337.466 3.705 10 50 EHCA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cccc2ccccc12 2868037 VHLGWRGGRRBAQJ-AQTBWJFISA-N 348.402 3.634 10 50 EHCA Cc1ccccc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 16193343 JBCJRICBTDVNFJ-DHDCSXOGSA-N 328.462 3.891 10 50 EHCA COc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1220186 OYMHYMSUOIKKGR-GDNBJRDFSA-N 343.429 3.807 10 50 EHCA CC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cccc(Cl)c1O 806149807 IDRZMOOBKWPBBJ-YOEHRIQHSA-N 337.822 3.829 10 50 EHCA Oc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 217780230 GFBGADGHQOROQU-UHFFFAOYSA-N 333.303 3.641 10 50 EHCA biogenic C[C@@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccccc1 237386144 WQVATQGUXFLWMM-IFXJQAMLSA-N 326.465 3.517 10 50 EHCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NCCc1ccccc1 4872615 JMAFFIGSKRBBHE-AQTBWJFISA-N 339.826 3.779 10 50 EHCA Cc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1C 196746 NKXGKGPZUANCIU-UHFFFAOYSA-N 328.481 3.719 10 50 EHCA CC[C@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1O 155202469 ATCYVOCNQWAWKE-SFHVURJKSA-N 336.439 3.831 10 50 EHCA Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1cccc(Cl)c1 5894269 JDCZPSIRYZMUCH-AUWJEWJLSA-N 331.828 3.886 10 50 EHCA CC(C)Oc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 456926 YNNWIUGZVKUPKM-FOWTUZBSSA-N 330.453 3.930 10 50 EHCA c1ccc(CCCNC2CCN(c3ccc4c(c3)CCC4)CC2)nc1 1506399608 PAKJSCJLSPSCPY-UHFFFAOYSA-N 335.495 3.762 10 50 EHCA Cc1c(O)c(CN2CCC[C@@H](C)C2)cc2c3c(c(=O)oc12)CCC3 5025276 QQUSMDJNSUOXTP-GFCCVEGCSA-N 327.424 3.528 10 50 EHCA CCN(CC)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 55292268 BPXSPISGMOLMCO-UHFFFAOYSA-N 341.474 3.994 10 50 EHCA COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 193552 CBUCHYZOTNTXHB-UHFFFAOYSA-N 348.207 3.508 10 50 EHCA Cc1c(O)c(CN2CCC(C)CC2)cc2c3c(c(=O)oc12)CCCC3 5235485 YKQQTOZYMNZZOW-UHFFFAOYSA-N 341.451 3.918 10 50 EHCA COc1ccc(N2CCN(Cc3ccc(OC)c(C)c3C)CC2)cc1 294250 RJXHZHNIFTZJLM-UHFFFAOYSA-N 340.467 3.643 10 50 EHCA CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O 55292183 RBIRNMUNSJIRKD-CYBMUJFWSA-N 332.227 3.617 10 50 EHCA COc1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1 1221365 HEZNWGCNVFNYAX-DHDCSXOGSA-N 343.429 3.807 10 50 EHCA COc1cc2c(cc1-c1ccc(Oc3ccc(N)cn3)cc1)OCO2 2356165628 LPDBNKRRLMAGSP-UHFFFAOYSA-N 336.347 3.860 10 50 EHCA CC(=O)Nc1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100105154 DJNOIDGQRCWGSS-SGRLSNSRSA-N 335.367 3.520 10 50 EHCA CC(C)=C1SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O 457302 PNFLUKOYAMBATQ-UHFFFAOYSA-N 349.887 3.694 10 50 EHCA Cc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)cc1 100711598 ZLGUIXOUPKHWJQ-IBGZPJMESA-N 331.423 3.709 10 50 EHCA Cc1c(Cl)cccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 215713 DKISGOPDGLKRPG-UHFFFAOYSA-N 335.787 3.705 10 50 EHCA Oc1ccc(-c2cncnc2)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C21CC1 248008365 UYLOELBDXYKIIY-ATZDWAIDSA-N 333.435 3.541 10 50 EHCA C[C@H](Cc1ccsc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 1506419418 BTXNECXZOWMXDL-CQSZACIVSA-N 344.480 3.666 10 50 EHCA O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccc(F)cc1 1086342 BDKBDKPYWWPGDZ-GXDHUFHOSA-N 343.404 3.867 10 50 EHCA CN(C)c1ccc(C2=CCN(C(=O)c3cc4c(F)cccc4[nH]3)C2)cc1 378368802 ILNXWAGKANQWHF-UHFFFAOYSA-N 349.409 3.912 10 50 EHCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(F)c1 5092165 OMJYLUDLVNGYMC-UHFFFAOYSA-N 345.329 3.853 10 50 EHCA CN1CCN(Cc2c[nH]nc2-c2cccnc2)c2cc(Cl)ccc21 153366353 AQQWLVZHOJOVGL-UHFFFAOYSA-N 339.830 3.582 10 50 EHCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12 19791811 PHXTXIXKEZXMDM-UHFFFAOYSA-N 329.783 3.881 10 50 EHCA biogenic O=C1/C(=C\Nc2cccc(O)c2)SC(=S)N1C1CCCCC1 2026417 GBVAXGJGMWJVRQ-GXDHUFHOSA-N 334.466 3.839 10 50 EHCA Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(O)c3)c3cn[nH]c3nc12 218267995 KWLDISUGJUDYJD-UHFFFAOYSA-N 347.330 3.950 10 50 EHCA C[C@@H](C1CC1)n1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 930977797 MBFFEJQXOOHMSZ-JTQLQIEISA-N 334.807 3.535 10 50 EHCA Cc1ccccc1NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O 1318051 RKKBKFJEZACNKO-HNNXBMFYSA-N 340.404 3.592 10 50 EHCA CCOc1ccccc1[C@@H](c1cc2c(cc1O)OCO2)N1CCCC1 6357327 JIPHYNLAMLINND-FQEVSTJZSA-N 341.407 3.705 10 50 EHCA CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O 775527406 XILWBNRZGNPCJQ-DOTOQJQBSA-N 337.822 3.829 10 50 EHCA COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(C)=O)cc1 543000 WDNLLVWWUFYGOQ-KRWDZBQOSA-N 344.798 3.752 10 50 EHCA Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCC[C@H](C)C1)CCC3 19912935 LLIYLPUJZHLKKS-LBPRGKRZSA-N 327.424 3.528 10 50 EHCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1255091 QHTXHOWMEWCNTQ-CIQFUVQNSA-N 347.461 3.553 10 50 EHCA COc1cccc(-c2ccc(O)c(CNCCc3ccccc3)c2)n1 19953940 XPQYCTOHFSPVDH-UHFFFAOYSA-N 334.419 3.795 10 50 EHCA CCN1C(=O)/C(=C\C=C2\Oc3ccccc3N2CC)SC1=S 31374569 YAORVROFPFPJJU-UTLPMFLDSA-N 332.450 3.511 10 50 EHCA CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1O 155218581 DYPXYNXZKYZEEV-GOSISDBHSA-N 344.430 3.609 10 50 EHCA COc1ccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 13477489 ZQOVENVZHJTQCE-UHFFFAOYSA-N 341.480 3.523 10 50 EHCA aggregator c1cc(OC[C@@H]2CO2)ccc1N=Nc1ccc(OC[C@H]2CO2)cc1 254293725 ZXKWAVIXAFUNSC-HDICACEKSA-N 326.352 3.657 10 50 EHCA CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 63805 VHCCFCNOELPFCN-SFQUDFHCSA-N 336.391 3.900 10 50 EHCA CCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 12436869 REEFLTRHUFXXBA-SSZFMOIBSA-N 330.453 3.932 10 50 EHCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Nc1ccccc1 1211182 QLJJIJBMCISLBF-UVTDQMKNSA-N 328.418 3.621 10 50 EHCA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 189828 SEBVJYWOFMIHFC-UHFFFAOYSA-N 327.405 3.963 10 50 EHCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1 5130448 WQAMUHISYYUAHU-BOPFTXTBSA-N 345.406 3.898 10 50 EHCA CCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC 2824554 XBZSTWMMGOEFLB-YRNVUSSQSA-N 343.857 3.626 10 50 EHCA COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C(C)C)cc1 92476 OSQDODPYEYNYBE-UHFFFAOYSA-N 335.425 3.633 10 50 EHCA C[C@@H]1SCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1ccccc1 237386115 WQVATQGUXFLWMM-LIRRHRJNSA-N 326.465 3.517 10 50 EHCA COC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 44166 LLJWJMLMKXMMGS-UHFFFAOYSA-N 344.750 3.665 10 50 EHCA biogenic COc1ccc(OC)c(/C=C2\SC(N3CCCCCC3)=NC2=O)c1 209912 UXGBQDVDWBPQQY-VBKFSLOCSA-N 346.452 3.550 10 50 EHCA COc1ccc(OC)c(/C=C2\SC(c3ccccc3)=NC2=O)c1 15016229 AXWRJWJOFZEMEV-WJDWOHSUSA-N 325.389 3.765 10 50 EHCA Nc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 170676178 ZOJUINHKBRZABH-UHFFFAOYSA-N 348.284 3.590 10 50 EHCA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccco1 199286 XMVFEUQDZSMBPT-LGMDPLHJSA-N 341.407 3.843 10 50 EHCA O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 4498742 QCMHOEJBTLXZEC-XDJHFCHBSA-N 347.418 3.774 10 50 EHCA Cc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)s1 17161444 KXFOCXRVKPGLHA-JYRVWZFOSA-N 346.408 3.867 10 50 EHCA Cc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)n1-c1ccccc1 75556659 UXKZXEYCNOJVMN-KRWDZBQOSA-N 348.450 3.837 10 50 EHCA Cn1/c(=N/N=N\c2sc3ccccc3[n+]2C)ccc2ccccc21 4773289 LFMIMAZVISSAHI-UHFFFAOYSA-N 334.428 3.817 10 50 EHCA Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 225489592 NRBDEHYDZXSRAR-MSOLQXFVSA-N 328.843 3.917 10 50 EHCA OCC1(CCCc2ccccc2)CCN(Cc2ccccc2O)CC1 11934127 LDGAUWKOZDPQIF-UHFFFAOYSA-N 339.479 3.990 10 50 EHCA Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 65362644 UPDHCDCKWXFHSN-KRWDZBQOSA-N 338.451 3.851 10 50 EHCA COCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 4833566 XQWVBXCCSZQBNQ-RVDMUPIBSA-N 329.446 3.687 10 50 EHCA C[C@H](O[C@@H]1CC(=O)C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21)c1ccccc1 169616690 QPZYNQGSSNBJQS-YGHPHNMRSA-N 348.398 3.807 10 50 EHCA Cc1ccccc1/C=C1/SC(=S)N(CN2CCCCC2)C1=O 23279548 NOQJFPJYFZPVBF-RVDMUPIBSA-N 332.494 3.640 10 50 EHCA CCOC(=O)/C(=C/c1cncc(C(C)(C)C)c1)c1ncc(Cl)n1C 2325770993 IJUYEEWNBDLUCN-RIYZIHGNSA-N 347.846 3.870 10 50 EHCA COCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 2288772 XQWVBXCCSZQBNQ-PTNGSMBKSA-N 329.446 3.687 10 50 EHCA C[C@H]1CCCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCCC4)C1 2549595 JZGHSGDMSTWICS-ZDUSSCGKSA-N 327.424 3.609 10 50 EHCA O=C1NN=C(c2ccccc2)C1=CNc1cccc(C(F)(F)F)c1 2040750997 DXKUHAOGVKMMMH-UHFFFAOYSA-N 331.297 3.535 10 50 EHCA COc1ccc(N2CCN(Cc3cc(C)c(OC)cc3C)CC2)cc1 3684272 UDTXTABJKCNZSJ-UHFFFAOYSA-N 340.467 3.643 10 50 EHCA CC[C@H](N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O 156912474 CPESEZYJNYEXHY-GJZGRUSLSA-N 325.330 3.584 10 50 EHCA COCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 2820348 WSGNUPZIDHWBOZ-XFFZJAGNSA-N 348.276 3.841 10 50 EHCA CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1O 6702832 RMCTWUIJPWTKFC-QGZVFWFLSA-N 338.407 3.797 10 50 EHCA CC1(C)C[C@@](C)(c2ccc(O)cc2O)N(c2ccccc2)C(=S)N1 2478985 IRCDAEWEPNZEPA-IBGZPJMESA-N 342.464 3.876 10 50 EHCA COCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 4832776 LXHIAUXUHAZAHT-XFFZJAGNSA-N 348.276 3.841 10 50 EHCA COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(O)cc1 113293 NPAGTEBPSXOJCF-PDGQHHTCSA-N 349.386 3.578 10 50 EHCA CCN(CC)c1ccc([C@@H]2NC[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 183612 PKLBKECPTTUKNK-RBUKOAKNSA-N 341.411 3.801 10 50 EHCA CCC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1cccs1 253426260 GGYDQJGWXGVLCJ-CYBMUJFWSA-N 330.409 3.550 10 50 EHCA O=C(O)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 12404728 NOOGFRZLFMBLBG-HDMKZQKVSA-N 335.359 3.910 10 50 EHCA CCOc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)ccc1O 2707211 NINQWTZFJPOKLG-RIYZIHGNSA-N 337.466 3.648 10 50 EHCA CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3ccc(Cl)cc3)c2C1 9423365 BJFZIGNYXPRJIU-UHFFFAOYSA-N 331.799 3.913 10 50 EHCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@H]1c1ccccc1 17348633 YBYSZNOMGYWBBK-OALUTQOASA-N 345.398 3.923 10 50 EHCA COc1ccc(CN[C@H]2CCCN(Cc3cccs3)C2)cc1C 952972538 HAYRQWYLRIVTON-KRWDZBQOSA-N 330.497 3.819 10 50 EHCA CN1C(=O)[C@@]2(NN=C(c3cccc4ccccc34)S2)c2ccccc21 241077 MEDYXNSONZYDJM-HXUWFJFHSA-N 345.427 3.667 10 50 EHCA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 1172931 DKIKRKKVOFFACD-OVCLIPMQSA-N 330.384 3.899 10 50 EHCA CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 967138 MYYCKVZMZUBXMY-JLHYYAGUSA-N 349.477 3.660 10 50 EHCA CSc1nnc2c(n1)OC(c1cccs1)=Nc1ccccc1-2 16393015 LEKHXPMWLZJVFN-UHFFFAOYSA-N 326.406 3.793 10 50 EHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)c1 179573 PUSHQZYSDYSDSI-XICJKMHVSA-N 346.386 3.526 10 50 EHCA Cc1cc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)ccc1[N+](=O)[O-] 5174144 XOBPRFCFRIQVBN-QPEQYQDCSA-N 346.389 3.652 10 50 EHCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1O 1163969 BYVWTLUIJSVEAK-XFFZJAGNSA-N 343.857 3.665 10 50 EHCA COc1cccc(CNCc2cc(Br)ccc2O)c1F 809713655 WMZIYINRBJBBQM-UHFFFAOYSA-N 340.192 3.592 10 50 EHCA C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 13671448 FCXVCSCSLWYZQJ-OAHLLOKOSA-N 342.414 3.510 10 50 EHCA COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 12731531 PZOXRWHIFUFFGV-XNTDXEJSSA-N 344.461 3.651 10 50 EHCA