smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(O)cc1 625898 CJVMGBRFZUYLET-UHFFFAOYSA-N 377.010 4.806 0 50 GJAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl 681035 HBFQSKFUKYPZBE-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919429 RGJIBVUOHKDOLN-XJKSGUPXSA-N 390.365 4.697 0 50 GJAA COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCC3)cc1 953701 MEIUEMMYCYBJML-UHFFFAOYSA-N 392.480 4.750 0 50 GJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 1110292 JMOVPHBWQHPCSA-GFCCVEGCSA-N 391.368 4.562 0 50 GJAA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1Cl 1115579 OWPCQJUIEQRQEO-JTQLQIEISA-N 384.657 4.517 0 50 GJAA COc1ccccc1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 1171081 VGPFXUHLCDTCBE-UHFFFAOYSA-N 394.434 4.835 0 50 GJAA O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccc2ccccc12 2940797 APAZNLUETQHRFQ-UHFFFAOYSA-N 379.416 4.662 0 50 GJAA CCCCCCNC(=O)[C@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4070907 MSRXUNNDBUWNII-LFCNWEHWSA-N 396.575 4.698 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCCCC2)cc1 4725160 CXCGTJHSCVCEBB-QINSGFPZSA-N 387.483 4.574 0 50 GJAA CCOC(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 4977571 DBEWWPHYNOKFKC-KRWDZBQOSA-N 375.553 4.762 0 50 GJAA Cc1csc(CNC(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)n1 11661725 DXHFPHKSIXZGEX-QGZVFWFLSA-N 386.904 4.649 0 50 GJAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cccc(Cl)c2F)C3)nc1 12053325 HUDGFALDVFQJFK-HNNXBMFYSA-N 396.849 4.583 0 50 GJAA Cc1cnccc1CNC(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 39557816 VGJSQAVBFOFVPM-FQEVSTJZSA-N 380.875 4.587 0 50 GJAA COCc1nc(C)c(Cn2cnc(-c3ccccc3)c2C[C@@H](C)SC)s1 65386650 PNOCOIWXVNSVJP-CQSZACIVSA-N 387.574 4.804 0 50 GJAA c1ccc(-c2ncn(Cc3ccncn3)c2-c2c[nH]nc2C2CCCCC2)cc1 67513732 NUEMJXUDSIMYRQ-UHFFFAOYSA-N 384.487 4.826 0 50 GJAA O=C(c1cc2ccccc2cn1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67756198 WSLPEMYVYGYVTI-LJQANCHMSA-N 387.266 4.755 0 50 GJAA O=c1[nH]c([C@H]2CSc3ccccc3O2)nc2scc(-c3ccccc3)c12 225517486 IVNJAEBNUCMRBA-OAHLLOKOSA-N 378.478 4.877 0 50 GJAA O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 230012735 DHAIHTADTTVAFV-TZYHBYERSA-N 399.918 4.937 0 50 GJAA COc1ccc(C2(C(=O)Nc3ccc(N4C(=O)CC[C@H]4C)cc3)CCCC2)cc1 824654542 KZTVBPBTXZPLIF-QGZVFWFLSA-N 392.499 4.661 0 50 GJAA CCCCc1cc(=O)oc2c(O)c3oc(-c4ccccc4)c(CC(=O)O)c3cc12 1857526248 HKNKQBHUFOKCQK-UHFFFAOYSA-N 392.407 4.882 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(C)sc2SCc2ccccc2)cc1 1857800070 BZAVWSBSNBIFEV-UHFFFAOYSA-N 375.540 4.885 0 50 GJAA C[C@H](C(=O)Nc1ccccc1Br)N1C(=O)c2cccc3cccc1c23 1061864 FQWREESEQIZLNA-GFCCVEGCSA-N 395.256 4.590 0 50 GJAA CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 1111005 CUJRKKWNHWGCPC-UHFFFAOYSA-N 394.496 4.611 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 1130951 VOLJTBMYRPEWKY-UHFFFAOYSA-N 382.479 4.614 0 50 GJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2c1 1177011 YMDVXDNOUBQUNB-UHFFFAOYSA-N 382.265 4.669 0 50 GJAA CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 1204100 AMLBZVQZQOLSRS-UHFFFAOYSA-N 382.641 4.532 0 50 GJAA COc1cccc(-n2c(=S)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 1245641 WVGXLWPNKMOODT-UHFFFAOYSA-N 390.508 4.939 0 50 GJAA COc1cc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)ccc1F 14971111 LWUVPOHWNQYWDM-QGZVFWFLSA-N 387.480 4.981 0 50 GJAA Cc1ccc(-c2cccc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)c2)o1 95364373 XVMINHRAIJJUGI-XUZZJYLKSA-N 387.527 4.746 0 50 GJAA CSc1ccc(CN(C(=O)Nc2cc(NC(C)=O)ccc2C)C2CC2)cc1 97635117 OADMJSBHKHYWPH-UHFFFAOYSA-N 383.517 4.872 0 50 GJAA C[C@@H](NCc1nc2c(F)cccc2[nH]1)c1cccc(OCc2ccccn2)c1 179689605 MIAMKOBFSKGLCD-OAHLLOKOSA-N 376.435 4.527 0 50 GJAA C[C@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828916628 FNGXFVWGKGMHBI-UJPKKIPKSA-N 391.511 4.509 0 50 GJAA O=C(O)c1cccc(Cl)c1CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 846246060 LXSJGHZSANVBFG-IBGZPJMESA-N 394.298 4.637 0 50 GJAA Cc1csc(SCC(=O)N(Cc2ccccc2)Cc2scnc2C)n1 1506416545 WVAQSEFXRAVXBT-UHFFFAOYSA-N 389.571 4.538 0 50 GJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)s1 1875279404 AOBRVFIDZUKMAC-UHFFFAOYSA-N 375.315 4.587 0 50 GJAA COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1 598965 RRRUXBQSQLKHEL-UHFFFAOYSA-N 381.259 4.971 0 50 GJAA in-man COC(=O)/N=c1/[nH]c2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 1158829 XKITZYCEXGUAEG-UHFFFAOYSA-N 386.622 4.916 0 50 GJAA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc(Cl)c1 2278230 DQSNWTPXFQTVQS-SFHVURJKSA-N 379.843 4.751 0 50 GJAA CCOc1ccc(NC(=O)c2cccc(-c3ccc(OC(C)=O)cc3)c2)cc1 2967461 CJYHBRYOWMPFSZ-UHFFFAOYSA-N 375.424 4.930 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 3874190 RQZAXGRLVPAYTJ-HJAATKQZSA-N 384.516 4.575 0 50 GJAA O=C(C1CCN(Cc2cccc3ccccc23)CC1)N1CCc2ccccc2C1 4682115 LZKBYLFIBBMFJY-UHFFFAOYSA-N 384.523 4.637 0 50 GJAA CCN(Cc1ccccc1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 12446248 PTMHMYXSWCRNFW-UHFFFAOYSA-N 379.460 4.864 0 50 GJAA CSc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 19299843 VPBTVQHPOQBHLF-JOCHJYFZSA-N 395.616 4.504 0 50 GJAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@@](CO)(CCc2ccccc2)C1 67842474 KASZFPUEWOTKSP-RUZDIDTESA-N 388.511 4.529 0 50 GJAA CC(C)c1nc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)no1 67948044 NGNNJIHLTFSAFF-UHFFFAOYSA-N 385.851 4.618 0 50 GJAA CC(C)(O)c1nnc(NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)o1 170607183 NRZRWVCEXDRWGL-UHFFFAOYSA-N 393.365 4.720 0 50 GJAA CNc1snc(C)c1C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 170621591 SVNNKYXQTQKZAO-SNVBAGLBSA-N 390.509 4.555 0 50 GJAA CCN(Cc1csc(-c2ccoc2)n1)CC1CCN(c2ccccn2)CC1 174394989 IRXHDEXWDNJJGW-UHFFFAOYSA-N 382.533 4.537 0 50 GJAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 225619859 GTONWRGPAFNSKN-QAPCUYQASA-N 377.488 4.981 0 50 GJAA CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 263625202 XRRJGDIDYWFBOR-CVEARBPZSA-N 399.903 4.943 0 50 GJAA CCC[C@]1(CO)CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 288894775 UCDFTHOAOKMLDD-QFIPXVFZSA-N 383.492 4.507 0 50 GJAA O=C(c1coc(C2CCOCC2)n1)N1CC2(CCCC2)c2cccc(Cl)c21 328663417 BBVNXWFRSQWBGA-UHFFFAOYSA-N 386.879 4.694 0 50 GJAA Brc1csc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 820332139 GHTMVGIFRBCEFG-ROUUACIJSA-N 383.399 4.740 0 50 GJAA C[C@@H](NC(=O)c1csc(-c2ccncc2)n1)c1cccc(C(F)(F)F)c1 2325732648 JAMMREBURIWUCG-LLVKDONJSA-N 377.391 4.715 0 50 GJAA COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1ccco1 917699 SUCMVGPLIVIWAS-UHFFFAOYSA-N 384.819 4.755 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)c1 1092519 AYKKNIIKMMFKHF-UHFFFAOYSA-N 397.525 4.724 0 50 GJAA CC(C)(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1 1113925 NFPHIBBWTAVIKI-UHFFFAOYSA-N 380.257 4.903 0 50 GJAA CCOc1ccccc1-c1nc(CN2CCC(c3ccncc3)CC2)c(C)o1 12318375 WBWOZVOWEVWSCI-UHFFFAOYSA-N 377.488 4.823 0 50 GJAA Cc1cc(CN(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc(C)c1O 15063359 PTWMSQHPLDQMKR-HXUWFJFHSA-N 384.539 4.535 0 50 GJAA CN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ncccc1F 130927869 MJWNTSZOKSUHHU-UHFFFAOYSA-N 382.247 4.928 0 50 GJAA COc1ccsc1CNCC[C@]1(c2ccccn2)CCOC2(CCCC2)C1 145060717 DMNOVGJWPASQDL-NRFANRHFSA-N 386.561 4.693 0 50 GJAA Cc1cccn2cc(CNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)nc12 170624946 KPXGIHOWKNAQFY-SFHVURJKSA-N 386.499 4.600 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1ccc(-n2cccn2)cc1 225519522 NPQZZLDIZWVGEH-LJQANCHMSA-N 388.515 4.807 0 50 GJAA Cc1noc(CCCN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)n1 253428059 HSQZODQBNDYLGI-UHFFFAOYSA-N 391.302 4.715 0 50 GJAA C[C@@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[C@@H]1OCCc2sccc21 429914890 VTPMILVWGJPRBA-PXAZEXFGSA-N 383.435 4.675 0 50 GJAA COc1ccc(C2(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CCCC2)cc1 519912567 IVBBZLWOSGVGDO-JOCHJYFZSA-N 395.499 4.704 0 50 GJAA CC(C)(NC(=O)N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc2ccccc2c1 1479559330 MRLZDCXGQAEFDX-IBGZPJMESA-N 396.437 4.656 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3cnn(-c4ccccc4)n3)c3ccccc3n2)o1 1776004328 JIGINJNJKLHCOJ-UHFFFAOYSA-N 395.422 4.636 0 50 GJAA O=C(Nc1nnc(SCc2ccccc2F)s1)[C@H]1C[C@H]1c1cccs1 1857798904 FZBRLFTXSZGTNN-NEPJUHHUSA-N 391.518 4.773 0 50 GJAA C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]nc3C3CCOCC3)c2)C1 1875266345 JYCQJCHBPRZXAX-OXJNMPFZSA-N 397.519 4.651 0 50 GJAA O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc12 625586 RDUQJXKEOGTRAT-UHFFFAOYSA-N 385.286 4.729 0 50 GJAA Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1Br 1080303 JQUBWNSDBPODLP-CYBMUJFWSA-N 392.680 4.533 0 50 GJAA O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 1182658 HPAAHVVKFXMXSN-UHFFFAOYSA-N 387.464 4.551 0 50 GJAA aggregator O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1cccc(C(F)(F)F)c1 2904919 ZNOFTPOVKKDRPE-OVCLIPMQSA-N 396.365 4.950 0 50 GJAA O=C(O)Cc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 4999074 KTEJPRUDMJAPLI-UHFFFAOYSA-N 399.697 4.539 0 50 GJAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 5052518 ZHWAUXMYESRGQM-BKUYFWCQSA-N 391.373 4.888 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N[C@H](C)CCCC(C)(C)O)csc3n2)c1 12440631 YSTOTSWXEWBSFX-MRXNPFEDSA-N 399.560 4.739 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2cccnc2)C1)Nc1ccc(C(F)(F)F)cc1 15064600 UDVGWLMZGGPZFN-MRXNPFEDSA-N 391.437 4.731 0 50 GJAA O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 54956593 MVGGUOWVENIRIA-LFIBNONCSA-N 397.522 4.661 0 50 GJAA COc1ccc2cc([C@@H]3CN(c4ncnc5sc(C)cc45)CCO3)ccc2c1 71415709 LZEJZJAGJPVVRD-FQEVSTJZSA-N 391.496 4.739 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)cc1 72139285 IQKXCXWPOQUCKC-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA CC(=O)c1cc(CN2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cs1 77539091 HWFJAZUMZHYSTC-UHFFFAOYSA-N 383.492 4.860 0 50 GJAA O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc(OCc2cscn2)c1 117641657 FPLBFSVYROQLSC-HNNXBMFYSA-N 380.469 4.617 0 50 GJAA Cc1ccnc2sc(C(=O)N[C@H](C)[C@H]3CCN(Cc4ccccc4)C3)c(C)c12 252550589 SUKIEIYPQZBGKZ-MJGOQNOKSA-N 393.556 4.554 0 50 GJAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 262076548 BABYQEOGWWPXKF-SFHVURJKSA-N 392.282 4.988 0 50 GJAA CCCOc1ccc(CN[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)c1 494975673 OTBCYQRQWBJACO-QHCPKHFHSA-N 394.559 4.862 0 50 GJAA Cc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)c2cccc(Cl)c2n1 952975152 MBFSMOOVRGRNDH-UHFFFAOYSA-N 398.894 4.723 0 50 GJAA Cc1nn(C)c(C)c1CN(C(=O)c1ccccc1-c1ccc(F)cc1)C1CC1 1506402044 HOZFRGNTQJJDMJ-UHFFFAOYSA-N 377.463 4.648 0 50 GJAA CCCCc1nc(CN2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)c(Cl)[nH]1 1704338627 WBBREJDJJBEZQI-NRJQMVOHSA-N 387.955 4.525 0 50 GJAA C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1F 1875257144 XSDPHONFGLNZJF-VCFDLTMXSA-N 389.402 4.756 0 50 GJAA Cc1ccc2ccccc2c1CN1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356141700 LZQFORYLKZDOOM-SANMLTNESA-N 399.538 4.700 0 50 GJAA O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2cccnc12 705485 BGSLYCUFUUYMEC-UHFFFAOYSA-N 386.782 4.708 0 50 GJAA O=Cc1cn(CC(=O)Nc2ccc(Br)cc2Cl)c2ccccc12 2860597 NUZVLSATWBPFQB-UHFFFAOYSA-N 391.652 4.508 0 50 GJAA COc1ccc(/C=C2\SC(=N)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 4581448 IMGKNMWWFHGIFE-QNPDVEALSA-N 394.374 4.649 0 50 GJAA COc1ccccc1-c1cc(C(=O)NCc2ccccc2F)c2ccccc2n1 5048803 GZPWZNKNDCDEAG-UHFFFAOYSA-N 386.426 4.980 0 50 GJAA Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc3c(cc12)CCC3 5102926 SRPVYSOHTUWFBR-UHFFFAOYSA-N 378.284 4.926 0 50 GJAA Cc1c([C@H](C)NCc2c[nH]nc2-c2ccccc2)cnn1-c1cccc(F)c1 11663357 ADJDOZVSFPWUER-HNNXBMFYSA-N 375.451 4.561 0 50 GJAA OCCC[C@H]1CCCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12445474 YBRRFTAXYGCSRG-HSZRJFAPSA-N 375.516 4.871 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1)O2 14878824 PLBHSPBYJCNBFI-OAQYLSRUSA-N 385.463 4.598 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(Cc2cccc3cccnc23)CC1 15078706 JDDOMOIRPRCYDF-UHFFFAOYSA-N 380.919 4.705 0 50 GJAA c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)nc1 19810731 MMQMBUPFCYDOMY-VWLOTQADSA-N 381.479 4.646 0 50 GJAA O=C(Nc1ccc2c(c1)CCC2)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759748 IWLVXHZWSHSEBP-NRFANRHFSA-N 393.874 4.549 0 50 GJAA O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCC(c2ccsc2)CC1 187844906 VRPIPHQNPMYCKB-UHFFFAOYSA-N 398.509 4.620 0 50 GJAA CC[C@]1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 239339088 LRKCWFYHHUSIOT-DAABAHPESA-N 378.343 5.792 0 50 GJAA CC(=O)c1ccccc1-c1cccc(C(=O)N[C@@H](C)c2nc(C(C)C)no2)c1 426633739 CNAFWMCSMNFEOD-AWEZNQCLSA-N 377.444 4.554 0 50 GJAA CC1=CC2(CCN(c3nc(-c4ccc(C)s4)ccc3C(=O)O)CC2)OCC1 1772703509 GGXPJMLDXNVPMI-UHFFFAOYSA-N 384.501 4.522 0 50 GJAA CCOC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccnc(Cl)c2s1 2325853129 DVKQUTOYGANRKJ-AWEZNQCLSA-N 394.924 4.582 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)c1 1093212 VJQSSIHYYVHTEY-UHFFFAOYSA-N 397.544 4.591 0 50 GJAA Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2ccccc2)o1 2804173 AYHRQLXHTVCDIV-VIFPVBQESA-N 383.196 4.551 0 50 GJAA COc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc(OC)c1OC 4420917 CUUAYLNEWWGIDH-UHFFFAOYSA-N 377.396 4.864 0 50 GJAA Cc1nc(NCc2cnn(-c3ccccc3)c2)sc1-c1ccn(CC2CC2)n1 12123447 NPLSSAVGKPAWFT-UHFFFAOYSA-N 390.516 4.523 0 50 GJAA c1ccc(CN2CCCN(Cc3ccccc3)C2c2ccc3c(c2)OCO3)cc1 19324102 WYMDIENOQKSIOF-UHFFFAOYSA-N 386.495 4.822 0 50 GJAA COc1ccc2cc(CN3CCC[C@@H](CO)C3)c(-c3ccc(Cl)cc3)nc2c1 72431179 TZCCAODJDXDSLQ-MRXNPFEDSA-N 396.918 4.768 0 50 GJAA COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(N)c2n1 137057274 USGZHEQRIPMHCK-UHFFFAOYSA-N 378.350 4.954 0 50 GJAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@H](C)c1oc2ccccc2c1C 154704695 DONAHVZNXFDXEW-CQSZACIVSA-N 394.393 4.964 0 50 GJAA Cc1cc(C)cc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 169759624 VRGHYPZHQIHNFE-HXUWFJFHSA-N 381.863 4.677 0 50 GJAA O=C(Nc1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 239653715 BKWMNFMQZWNLAE-QGZVFWFLSA-N 396.441 4.621 0 50 GJAA Cc1cc(Cl)c(NC(=O)Nc2cnn(C3CCOCC3)c2C)cc1Cl 455005929 CMHZLHVBYJWGMQ-UHFFFAOYSA-N 383.279 4.802 0 50 GJAA COc1ccc([C@H]2CCN(C(=O)c3cc4sccc4n3CC3CC3)C2)cc1 1875330700 YMGHZPVOMWPNTI-KRWDZBQOSA-N 380.513 4.751 0 50 GJAA C[C@@]1(c2cccs2)NC(=O)N(C/C=C/c2ccc(-c3ccccc3)cc2)C1=O 1875378686 BHTJBNQKJIQSJR-BVBLWJPBSA-N 388.492 4.896 0 50 GJAA Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cc4ncc[nH]4)c3)n2C)cc1C 2325851909 MHFUWAXVJHSUFM-UHFFFAOYSA-N 399.498 4.579 0 50 GJAA CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 942701 DUCYQCQUHPWKHH-GOSISDBHSA-N 386.831 4.834 0 50 GJAA biogenic CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc2c(c1)OCCO2 954338 NONYLAVGPUNNCF-UHFFFAOYSA-N 384.819 4.580 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1Br 1220389 KBZURAFEYLZOHP-UHFFFAOYSA-N 391.309 4.946 0 50 GJAA CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC 2081641 HGJZFVNVRGOLJW-YBEGLDIGSA-N 389.810 4.621 0 50 GJAA CCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 2946513 QNOJOXWAFBDZOU-UHFFFAOYSA-N 395.240 4.722 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 4749678 AQCCYFHHPBQIDM-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 133822798 KFTVHEGYTIKZFA-UHFFFAOYSA-N 399.416 4.815 0 50 GJAA O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759778 PGZMDIVXUYMSEJ-SFHVURJKSA-N 388.254 4.714 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccncc1)CC(=O)O2 253396412 BBYRAVVBSGDVAT-KRWDZBQOSA-N 383.403 4.604 0 50 GJAA biogenic Nc1nc(Cl)cc(NCc2ccccc2COc2ccccc2Cl)n1 742413664 WWQQIOIIMBPKPJ-UHFFFAOYSA-N 375.259 4.557 0 50 GJAA CCCn1c(C)nc2cc(NC(=O)[C@@H]3CCCN(C4CCCCC4)C3)ccc21 952978220 XUEPPFHLZKEPHD-GOSISDBHSA-N 382.552 4.738 0 50 GJAA COc1ccc(-c2ccc(CN3CCC[C@@H](OCc4ccccn4)C3)o2)cc1 952981865 MWGCSQGUMVVWSO-OAQYLSRUSA-N 378.472 4.531 0 50 GJAA COc1ccc([C@H](C)C(=O)Nc2scc(C3CCCCC3)c2C(N)=O)cc1 2325727564 CUYRDWQRFQECIS-ZDUSSCGKSA-N 386.517 4.646 0 50 GJAA Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)c1C 657468 GOWXYNHNLXJFMK-SDNWHVSQSA-N 376.544 4.963 0 50 GJAA O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 671529 VQVKSFQLRPTEDX-HSZRJFAPSA-N 388.536 4.869 0 50 GJAA Clc1ccc(Cn2ncc3c(N4CCCCCC4)ncnc32)c(Cl)c1 759435 LGJBUUWTLBJPDV-UHFFFAOYSA-N 376.291 4.562 0 50 GJAA COc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1 996481 SJYBRNSXRKIGBZ-UHFFFAOYSA-N 379.419 4.949 0 50 GJAA aggregator COc1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 1121216 GJXZOLRKKLJBML-UHFFFAOYSA-N 379.799 4.942 0 50 GJAA Clc1ccc(-c2noc(-c3ccccc3I)n2)cc1 1126945 DQNHLUYDKPKXMI-UHFFFAOYSA-N 382.588 4.662 0 50 GJAA O=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2c1 2778887 CFPUDQLCBTZQCC-UHFFFAOYSA-N 397.887 4.539 0 50 GJAA O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1 4196364 ZXZHRUWUFGKUIT-UHFFFAOYSA-N 388.471 4.716 0 50 GJAA aggregator COc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccc(F)cc1 4868983 BWLKACVCLCIDDN-UHFFFAOYSA-N 375.827 4.950 0 50 GJAA CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)c(=N)oc2c1 6517585 PLTAVOJKAYYWLR-INIZCTEOSA-N 377.488 4.558 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(CCCn2cccn2)C1 12093692 MTIXMOUMWMVFBQ-NRFANRHFSA-N 391.490 4.674 0 50 GJAA OCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2F)o1 12455900 JHLWAYGKVCOFOD-HSZRJFAPSA-N 376.431 4.540 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@H](C)C2 15746428 XBAQWDFQVMWKEY-IAOVAPTHSA-N 383.513 4.792 0 50 GJAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnc(Nc2ccccc2)nc1 91621245 MGATZYUKCOZDMZ-UHFFFAOYSA-N 386.377 4.511 0 50 GJAA C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 462269432 MCWADJXITWQXSQ-IVZQSRNASA-N 377.488 4.797 0 50 GJAA CSc1ccc2cc(CN3CCC(c4nc(C(C)C)no4)CC3)c(O)nc2c1 952982043 QDVPSEIUGVTDJO-UHFFFAOYSA-N 398.532 4.548 0 50 GJAA CN1CCN(C(=O)c2ccnc(-c3ccc4sc5ccccc5c4c3)c2)CC1 1241713614 YVPQQSAVBOMYHN-UHFFFAOYSA-N 387.508 4.504 0 50 GJAA CC(C)c1ccccc1Oc1ccccc1C(=O)N[C@@H](C)CO[C@H]1CCOC1 1875259035 PWYBOQCUBLKUAH-ROUUACIJSA-N 383.488 4.526 0 50 GJAA O=C(CCSc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 664380 DMXSDDCBUOGTDB-UHFFFAOYSA-N 395.355 4.824 0 50 GJAA Cc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(Cl)c(Cl)c2)C1=O 945433 WRXFXWNYCZYIFR-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA Cc1ccccc1-c1nc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2o1 970769 HSGYEJWEJNCUAO-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1 1273026 UKRMMUDQNFTEQO-UHFFFAOYSA-N 382.217 4.838 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 4750112 VDQVSOGPSRYSRB-UHFFFAOYSA-N 389.455 4.528 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCc2ccccc21 5986089 VQWHWGNRVBTIMN-UHFFFAOYSA-N 394.521 4.961 0 50 GJAA CC(C)n1cc(CN2CCC(CCC(=O)N3CCCC3)CC2)c2ccccc21 11817006 HLFIWOOUWHJEPO-UHFFFAOYSA-N 381.564 4.837 0 50 GJAA COc1ccc([C@@H]2N=C(c3ccc(C)cc3)[C@H]3[C@H](c4ccccc4)N23)cc1OC 34868530 LYAALMLMHYRNEQ-BJYSZKJRSA-N 384.479 4.939 0 50 GJAA Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2 44855220 WHYIGYGHYHAOQG-QFIPXVFZSA-N 392.543 4.626 0 50 GJAA COc1ccc(C2(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CCCC2)cc1 58810572 IVBBZLWOSGVGDO-QFIPXVFZSA-N 395.499 4.704 0 50 GJAA C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccc(F)cc1 239302879 FTGMSKYZJVDEFA-BPHHYWDRSA-N 389.514 5.714 0 50 GJAA Cn1cncc1CCNc1nc(C2CC2)nc2scc(-c3ccccc3)c12 302176888 QXUVXTLYJZZPKW-UHFFFAOYSA-N 375.501 4.624 0 50 GJAA O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 329178889 NGALAWZHDJGWES-OFVILXPXSA-N 386.495 4.669 0 50 GJAA O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(Cl)nc(Cl)c1 916445314 KHQGXEIRDFHRIS-UHFFFAOYSA-N 392.217 4.645 0 50 GJAA CN(C(=O)c1cc2ccccc2cc1OC[C@@H]1C[N@@]1CC1CC1)c1ccccc1 1875382236 VQHNGURECRZOEN-WXVAWEFUSA-N 386.495 4.589 0 50 GJAA Cc1nc(O)nc(C)c1CCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 1940196521 PZJNBMSDNATZST-UHFFFAOYSA-N 396.516 4.617 0 50 GJAA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc3ccccc23)cc1 1185155 KXPFYCDKHRNKFA-QHCPKHFHSA-N 384.435 4.792 0 50 GJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2 2465851 JRVGULIWMJRXKQ-UHFFFAOYSA-N 398.894 4.711 0 50 GJAA O=C(O)CN(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 2526806 IZXYZVSMRGDEOQ-UHFFFAOYSA-N 387.435 4.522 0 50 GJAA biogenic,in-vitro COc1ccc(NC(=O)c2ccco2)c(NC(=O)CSc2ccc(C)cc2)c1 4828043 XMZYFVBDMPNTQY-UHFFFAOYSA-N 396.468 4.580 0 50 GJAA CC(=O)c1ccc(N2CCN([C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 5091787 CMNJVBYYNICKQV-MRXNPFEDSA-N 390.449 4.661 0 50 GJAA CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(CC)cc3)=NN12 6043275 QNJTVHQIEKBPGZ-HSZRJFAPSA-N 389.543 4.995 0 50 GJAA CC(C)c1nc2cccnc2n1C1CCN([C@@H](C)CCc2ccc(O)cc2)CC1 11787322 AJAKEJMXBIRJQL-SFHVURJKSA-N 392.547 4.919 0 50 GJAA COc1cccc([C@@H]2CCCCN2Cc2nc(Cc3ccccc3F)no2)c1 11878525 NBLDVIBHMOQNKB-FQEVSTJZSA-N 381.451 4.535 0 50 GJAA CCn1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c(C)n1 67678443 LHMYQQBRCUYJJR-UHFFFAOYSA-N 397.906 4.632 0 50 GJAA O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)C1CCC(F)(F)CC1 124639235 BYRIDCMJWWHCDF-UHFFFAOYSA-N 384.854 4.730 0 50 GJAA COC(=O)c1ccc(NCc2cc(-c3ccncc3)ccc2OC)cc1Cl 170616110 VFEDQLXGFHCFAJ-UHFFFAOYSA-N 382.847 4.809 0 50 GJAA CC[C@@H]1CN(C(=O)c2csc(-c3ccccc3OC)n2)c2ccccc2O1 170640615 OYAKSMRHPPTUBJ-CQSZACIVSA-N 380.469 4.637 0 50 GJAA CCC(=O)N(C)c1ccccc1C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 189086969 FZZFSTFNMKUGHW-OAHLLOKOSA-N 387.549 4.781 0 50 GJAA C[C@H](C(=O)Nc1cc(-c2ccccc2)ccc1F)n1ccc(C(F)(F)F)n1 1875331456 ILWOCAMSGLAVCQ-GFCCVEGCSA-N 377.341 4.908 0 50 GJAA Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 1125249 ROBJQVUWDXKWKH-UHFFFAOYSA-N 377.828 4.568 0 50 GJAA Cc1cccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)c1 1185038 YWXLLWNVTQDKIP-UHFFFAOYSA-N 378.435 4.547 0 50 GJAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)o1 1186627 WQSLDVADVNBASV-UHFFFAOYSA-N 391.246 4.608 0 50 GJAA O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1 1202579 RGKGTSFMWZNGKP-HMMYKYKNSA-N 376.843 4.750 0 50 GJAA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 1305408 FVVJAFPJUZWHHW-HSZRJFAPSA-N 378.435 4.621 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)Nc1ccccc1-2 2057034 LLDWCWLEOGSOFC-LJQANCHMSA-N 394.500 4.943 0 50 GJAA O=C1[C@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc12 2268091 OTPTYRJAUBCJOA-QUCCMNQESA-N 378.428 4.562 0 50 GJAA Cc1nn2c(-c3ccc(NC(=O)c4cccs4)cc3)nnc2c2ccccc12 2451914 FYOHHNJPIPNTIP-UHFFFAOYSA-N 385.452 4.567 0 50 GJAA COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2)cc1 2857857 HSWCOQQYNKFKDM-QFIPXVFZSA-N 381.859 4.633 0 50 GJAA COc1cc(OC)c2nc(N3CCN(c4cc(C)ccc4C)CC3)cc(C)c2c1 4982246 VPTWPPXEANDTDG-UHFFFAOYSA-N 391.515 4.504 0 50 GJAA CC(=O)c1cc(CN(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cs1 11662948 CTBKWTZHEZAXQU-FQEVSTJZSA-N 384.589 4.646 0 50 GJAA Fc1ccc(CN2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)cc1F 15078278 HUWLHXSDVNBFHB-SFHVURJKSA-N 376.413 4.595 0 50 GJAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N(Cc1ccccn1)C1CCCCC1 95363525 LKUCVYANVDWFLS-OAQYLSRUSA-N 377.532 4.524 0 50 GJAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1 97307405 RWKWKUHMTVMFAC-IBGZPJMESA-N 387.524 4.547 0 50 GJAA C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@H]1CC[C@H]2O 239425656 UYIFTLBWAOGQBI-JRYGSTJPSA-N 376.496 5.123 0 50 GJAA biogenic Cn1ncc2c(NCc3ncc(-c4cccc(Br)c4)o3)cccc21 1875264303 WHILHZHELDHTFE-UHFFFAOYSA-N 383.249 4.603 0 50 GJAA O=C(NC1CCCCCC1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 648903 QOBDSTPTSGWACM-UHFFFAOYSA-N 384.430 4.787 0 50 GJAA OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(F)c(Br)c2)CC1 757249 ZYLSFBBDDOQVLX-UHFFFAOYSA-N 398.703 4.725 0 50 GJAA Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1 1001103 JOMIDJIZALJVIQ-IBGZPJMESA-N 390.491 4.567 0 50 GJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 1096451 XCRMOBDBRKDUPQ-AWEZNQCLSA-N 388.920 4.695 0 50 GJAA Cc1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)C[C@H]2C)cc1 1117684 VGXVHTATCWJBMY-OAHLLOKOSA-N 393.478 4.921 0 50 GJAA CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2842993 AAUKGQWLCRGRAW-SJORKVTESA-N 399.292 4.586 0 50 GJAA CCc1sc(NC(=O)c2cc(OC)c(OC)cc2OC)nc1-c1ccccc1 8199473 HZGLRDOTHQOEKG-UHFFFAOYSA-N 398.484 4.651 0 50 GJAA CCc1cc(CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)on1 12373675 PQNMCQAOGQGZMP-UHFFFAOYSA-N 395.846 4.552 0 50 GJAA COc1ccccc1[C@H](C)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12439379 PSZYRADECBJLIM-ZDUSSCGKSA-N 391.393 4.957 0 50 GJAA CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12439605 UWCOPBVPRLUZSB-IBGZPJMESA-N 389.499 4.812 0 50 GJAA C[S@](=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 18274812 CDMGBJANTYXAIV-HHHXNRCGSA-N 377.444 4.682 0 50 GJAA biogenic,in-vivo Cc1nnc(CN(C)Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)o1 20538614 PFJUCUVFPJCMSS-UHFFFAOYSA-N 390.443 4.766 0 50 GJAA CC[C@H]1CN(Cc2ccc(OC)c(OC)c2OC)Cc2ccc(Cl)cc2O1 55042406 QHFPOSFPXFVCQN-KRWDZBQOSA-N 391.895 4.539 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3c(C)cc(C)cc3n2)cn1 63833708 JXAYYTGWXFTYQG-QGZVFWFLSA-N 376.504 4.750 0 50 GJAA c1ccc(-c2ncn(Cc3csc(-c4ncccn4)n3)c2-c2ccco2)cc1 65461774 CXUKATXPIFTASP-UHFFFAOYSA-N 385.452 4.772 0 50 GJAA CN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1cccc2ncccc12 67540564 GNOOPDPOJVXQHL-UHFFFAOYSA-N 379.467 4.577 0 50 GJAA O=C(C1CCN(Cc2ccco2)CC1)N1CCCC[C@H]1CCc1cccs1 95380560 LPMBMFQKCDAPJD-IBGZPJMESA-N 386.561 4.567 0 50 GJAA CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 113651353 QFOZQYXYXFTQNB-INIZCTEOSA-N 397.450 4.501 0 50 GJAA in-vitro O=C(Nc1cnn(-c2ccccc2Br)c1)c1c(F)cccc1Cl 154966882 ORIKFGUBKSDTRS-UHFFFAOYSA-N 394.631 4.680 0 50 GJAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 248376071 BXJRUGUVBIWBJI-QDUCJZRSSA-N 392.543 4.729 0 50 GJAA O=C(c1ccc2c3c([nH]c2c1)CCCC3)N1CCC([C@H](O)c2cccs2)CC1 1506418076 NZSKDPWKRSUFGQ-QFIPXVFZSA-N 394.540 4.694 0 50 GJAA O=C(CSCc1ccccc1)Nc1cccc(Cn2cnc3ccccc32)c1 2325725573 ORGYNRWVEBDDPD-UHFFFAOYSA-N 387.508 4.957 0 50 GJAA CN1C(N2CCC[C@H](CCCc3ccccc3)C2)=NC[C@@H]1c1ccc(F)cc1 2325841946 KRRASSJWRCJBRM-NZQKXSOJSA-N 379.523 4.903 0 50 GJAA CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)cc1 1077015 MJOFUAYCGMHBDJ-HNNXBMFYSA-N 395.532 4.604 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccccc2SC)sc2c1CCCC2 2876569 LHGKZZLYBNRSPT-UHFFFAOYSA-N 375.515 4.778 0 50 GJAA COc1ccc(CSc2ncnc(SCc3ccc(OC)cc3)c2N)cc1 2882097 JCURQVURRXHUOK-UHFFFAOYSA-N 399.541 4.661 0 50 GJAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3623695 DQFCZGPNSMFEKZ-HXUWFJFHSA-N 383.488 4.719 0 50 GJAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 4964771 OCNAVQNENHFYCE-UYRXBGFRSA-N 380.831 4.651 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(Br)c2)s1 5950074 WYQYOQODMHVXDY-UHFFFAOYSA-N 399.335 4.669 0 50 GJAA Cc1ccsc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 12431864 BSWCXKSTXZJHGM-LJQANCHMSA-N 393.508 4.966 0 50 GJAA CC[C@H](C)CC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 14954720 CMIYGWSJAQRXHW-BLLLJJGKSA-N 389.492 4.613 0 50 GJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2nc(-c3ccccc3)no2)C1 20389593 SYLYDKPGTKIFGG-FQEVSTJZSA-N 399.498 4.726 0 50 GJAA Cc1ccc2nc(-c3cnc(C(C)(C)C)nc3)cc(C(=O)N(C)C(C)C)c2c1 63869221 QHTOZGDIGZGXJU-UHFFFAOYSA-N 376.504 4.778 0 50 GJAA O=C1[C@H]([C@@H]2NCCc3c2[nH]c2ccccc32)c2ccccc2N1c1ccccc1 102198042 FHGRMQONXLFYLC-UPVQGACJSA-N 379.463 4.817 0 50 GJAA COc1ccc2c(-c3ccccc3)cc(SCC3(O)CCOCC3)nc2c1 152761048 QYEZATWOSPLXJQ-UHFFFAOYSA-N 381.497 4.544 0 50 GJAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC1(Cc3cccc(F)c3)CCC1)C2 170599657 QMHJJOUNDZCJPQ-PMACEKPBSA-N 388.527 4.811 0 50 GJAA O=C(Nc1ccc(F)cc1F)N1CCN(c2cccc(Cl)c2Cl)CC1 242627042 CNZZSAYHYJWDJK-UHFFFAOYSA-N 386.229 4.626 0 50 GJAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1n[nH]c(C2CCC2)n1 263588014 NZKMUXBQNCGRCI-HXUWFJFHSA-N 385.471 4.645 0 50 GJAA CCCCc1cc(=O)oc2c1cc(O)c1oc(-c3ccccc3)c(CC(=O)O)c12 1848442675 FDVHJJNLTCLEJO-UHFFFAOYSA-N 392.407 4.882 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1 1081027 RUTAZMGDGMHQEL-AWEZNQCLSA-N 391.496 4.773 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(CC)cc3)s2)cc1 1236858 WMCMSEMUHFIHPQ-UHFFFAOYSA-N 398.488 4.722 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2749837 STUYJTLDIRLTOJ-UHFFFAOYSA-N 387.304 4.591 0 50 GJAA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc(Cl)cc1Cl 2800672 NSXKUDNNIUKKSA-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA COc1cc(SC)ccc1C(=O)NCCOc1ccccc1-c1ccccc1 2812334 XKXFCOXSLRWQCJ-UHFFFAOYSA-N 393.508 4.893 0 50 GJAA CCCCC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 2856931 ZJNUXOXCNWVDIC-UHFFFAOYSA-N 399.516 4.679 0 50 GJAA Brc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1 2872031 HNJQORNOYZWCSS-UHFFFAOYSA-N 383.289 4.713 0 50 GJAA Cc1cccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1 4019500 ZXYNSIZWYBJXGN-UHFFFAOYSA-N 381.435 4.561 0 50 GJAA C=Cc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)cc1 12074241 ZRUUNRHQKMJTGX-XMMPIXPASA-N 396.481 4.736 0 50 GJAA C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2)CC1)c1ccccc1 12383838 HMNTUKOICIYDGZ-OTXOEQGISA-N 378.516 4.548 0 50 GJAA O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 12593750 SQPUDXPZIQEZIU-LJQANCHMSA-N 377.513 4.661 0 50 GJAA CCNC(=O)c1ccc([C@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)s1 20541094 XVWRMPCNCNFTAM-HXUWFJFHSA-N 391.540 4.897 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1 23192315 RNTDUEDMTAAQPT-GOSISDBHSA-N 389.528 4.769 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)Cc1ccc2nsnc2c1 55060763 ZJUHBEBPJFHJPL-UHFFFAOYSA-N 384.892 4.940 0 50 GJAA CCOc1ccccc1-c1nc(CN(C)Cc2c(C)nc3ccccn23)c(C)o1 67954964 VPZHSWIUYMQWMK-UHFFFAOYSA-N 390.487 4.637 0 50 GJAA COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 68805167 YKVHNZZEMUXPKW-QFIPXVFZSA-N 389.499 4.534 0 50 GJAA CC(C)Oc1cccc([C@@H](Nc2cnn(-c3ncccc3F)c2)C(F)F)c1 225411493 YFWZAYJRLCSFSM-QGZVFWFLSA-N 376.382 4.612 0 50 GJAA O=C(Nc1ccc(C(=O)O)c(F)c1)OCC1c2ccccc2-c2ccccc21 228789212 FDAAVRVYNHUGRJ-UHFFFAOYSA-N 377.371 4.885 0 50 GJAA COCCn1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 253412505 REZBMFHXMQAQGQ-NRFANRHFSA-N 387.483 4.576 0 50 GJAA biogenic COc1cccc([C@@H](C)N(C)C(=O)c2cccc(-c3nccn3C(C)C)c2)c1 299793715 IGKBKQGYBAHQNV-QGZVFWFLSA-N 377.488 4.973 0 50 GJAA CC(C)CCCN1CC[C@@H](N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O 821095709 BESKPXOMKCVXMF-CTNGQTDRSA-N 396.579 4.887 0 50 GJAA CCNC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c(C)s1 889397886 UWODNPMBXWHJFU-PXAZEXFGSA-N 389.496 4.560 0 50 GJAA CSc1cccc(CN(C(=O)c2cnn(Cc3ccccc3)c2)C(C)C)c1 952986683 ZTQQBUVOOYDIOV-UHFFFAOYSA-N 379.529 4.704 0 50 GJAA Cc1cc2occ(CC(=O)N3CCC(Cc4ccc(O)nc4)CC3)c2cc1Cl 1772812446 LSBFYFRJMXFUSZ-UHFFFAOYSA-N 398.890 4.519 0 50 GJAA O=C(O)[C@H]1CCC2(CCC2)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1857779967 MWVDSMGRKREILV-INIZCTEOSA-N 391.467 4.655 0 50 GJAA O=C(O[C@H]1CCc2ccc(Br)cc21)c1cc(-c2ccccc2)[nH]n1 1875336007 PCEJDGQRZHNMBW-SFHVURJKSA-N 383.245 4.684 0 50 GJAA CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccc(-c2ccc(Cl)cc2)c1 1875354603 KKZLHXYMUKOIPQ-JOCHJYFZSA-N 376.887 4.684 0 50 GJAA COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 708620 SCLPCYRPADJLTR-UHFFFAOYSA-N 382.419 4.941 0 50 GJAA CC(=O)CSc1nc2scc(-c3ccc(C)o3)c2c(=O)n1-c1ccccc1 719621 CYHZOQWGHBXPCW-UHFFFAOYSA-N 396.493 4.697 0 50 GJAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1C 1154191 JIRZGIUEQHWAKG-UHFFFAOYSA-N 387.391 4.595 0 50 GJAA COc1cc(OC)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 1179219 NNIZYQFUOXCWAB-UHFFFAOYSA-N 390.650 4.682 0 50 GJAA CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 2049793 RYTDXSKASRQPHE-UHFFFAOYSA-N 382.407 4.621 0 50 GJAA COc1ccc(NC(=O)Nc2nnc(CSc3ccc(C)cc3)s2)cc1 2235413 GFTMWKUXOMSGHA-UHFFFAOYSA-N 386.502 4.791 0 50 GJAA COc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1OC 2458856 JFKNWMPNNUIAFZ-UHFFFAOYSA-N 395.406 4.853 0 50 GJAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 2795580 FFTUOJNFBVRMNM-QMMMGPOBSA-N 380.197 4.792 0 50 GJAA CCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 6143560 GVGDWFPVMONMDP-UHFFFAOYSA-N 391.496 4.673 0 50 GJAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)CCC2CCCCC2)O3)n1 12041289 RGLFZGPPFJXCDL-OAQYLSRUSA-N 393.531 4.541 0 50 GJAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1cccc(F)c1 12049562 GNKYJVJCZYYGPG-UHFFFAOYSA-N 382.523 4.551 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@@H](C)COc3ccccc3)CC2)c1 15073651 ALIMHAMNWVOUJQ-IBGZPJMESA-N 396.531 4.593 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1cccnc1Cl 22462588 OWUHIOKZEDLXLR-UHFFFAOYSA-N 382.832 4.766 0 50 GJAA Cc1ncc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)[nH]1 67758794 ZJZSXUNZRDORJZ-UHFFFAOYSA-N 391.496 4.700 0 50 GJAA Clc1cccc(-c2nc3c(c(NCc4nnc(C5CC5)o4)n2)CCCC3)c1 170601960 GTTNBKODGPBNPH-UHFFFAOYSA-N 381.867 4.548 0 50 GJAA CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccc(F)c1 176874236 MEXNRSBSRJELTN-GOSISDBHSA-N 385.439 4.691 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCC(C)(C)CC4)csc3C2)nc1 426395417 RSRAHOMSXKAIPI-UHFFFAOYSA-N 397.588 4.526 0 50 GJAA COc1ccc(-c2cncc(C(=O)N(C)c3ccc4ccccc4n3)c2)c(C)c1 1456371343 ZCHLPZROWZOOMC-UHFFFAOYSA-N 383.451 4.890 0 50 GJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1 1875254889 YXVFVXYLLUQPJE-UHFFFAOYSA-N 375.472 4.773 0 50 GJAA CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)NCc2ccccc2)nn1-c1ccccc1 633039 WXQYVBSPRKJFIZ-UQBPGWFLSA-N 385.511 4.977 0 50 GJAA Brc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 640104 HGPVZVIPOXMTJD-UHFFFAOYSA-N 380.039 4.929 0 50 GJAA CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1 649872 AFPAZKLLBZGFHK-UHFFFAOYSA-N 386.908 4.658 0 50 GJAA Cc1c(C)c(C)c(CS(=O)(=O)CCC(=O)c2ccc(F)cc2)c(C)c1C 732284 LVOHAGQRCZZKTJ-UHFFFAOYSA-N 376.493 4.556 0 50 GJAA COc1ccccc1N[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 808671 ZPIJUHYBAWGDJD-INIZCTEOSA-N 387.694 4.542 0 50 GJAA O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1 862273 FKMQQPDSXZFIME-UHFFFAOYSA-N 381.273 4.620 0 50 GJAA Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cc(C)ccc3C)cc2)cc1 957963 RRTAVLSOVOBPOX-UHFFFAOYSA-N 389.451 4.849 0 50 GJAA CC[C@H](C(=O)Nc1ccc(I)cc1C)c1ccccc1 997982 ONNNAKKHUSRECI-HNNXBMFYSA-N 379.241 4.732 0 50 GJAA O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1ccccc1 1081678 DWALMTZTPJNLJA-UHFFFAOYSA-N 391.496 4.917 0 50 GJAA CCCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(C(F)(F)F)C1 1123413 CAGSRXDAWIPFRA-LJQANCHMSA-N 376.378 4.607 0 50 GJAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1Cl 1173481 BKUVLAXJJGEBNH-UHFFFAOYSA-N 399.299 4.528 0 50 GJAA CCc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1 2900779 INZFHXIKYAEFAR-UHFFFAOYSA-N 378.497 4.713 0 50 GJAA O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1Cc1ccccc1 3109940 APZDUZOMSZRDJA-UHFFFAOYSA-N 391.268 4.874 0 50 GJAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 4810796 PLZRRHUXTBJLQL-UHFFFAOYSA-N 396.221 4.841 0 50 GJAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)c(OC)c1)CC(=O)N2 7342062 SUKANGHFQOULCA-INIZCTEOSA-N 399.487 4.754 0 50 GJAA CSc1ccc(NC(=O)[C@@H]2CC23CCN(Cc2cccc(C)c2)CC3)cc1 12184984 YSFWUWDLZRXXHB-NRFANRHFSA-N 380.557 4.958 0 50 GJAA COc1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O 14970757 UIPGFDHUYANJBF-OAHLLOKOSA-N 394.298 4.803 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)no2)cc1 35476319 PQRZUDHAISANLO-LJQANCHMSA-N 382.847 4.981 0 50 GJAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)cn1 67850954 LGFMDUYOCJSYHR-LJQANCHMSA-N 387.483 4.562 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)c1cccs1 76837364 UVQLGNKEHWNWTR-OAHLLOKOSA-N 399.947 4.592 0 50 GJAA O=C(Nc1cccc(CN2CC[C@]3(CCCOC3)C2)c1)c1ccc(Cl)cc1 793621509 XFQOBWUWTXPQNM-JOCHJYFZSA-N 384.907 4.595 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cnc(-c4ccccc4C)s3)C1)CC2 1704330537 FFGIKQNEHGBMSV-HSZRJFAPSA-N 390.556 4.697 0 50 GJAA O=C1CCCN1c1ccc(NCc2ccnc(-c3ccccc3)n2)cc1Cl 1875264004 XYBXWACVYSLQKV-UHFFFAOYSA-N 378.863 4.536 0 50 GJAA CCO[C@H]1C[C@H](N(C)C(=O)c2cnc(-c3ccc(C)c(C)c3)s2)C12CCC2 2325826488 CFSUTWWVKPRZIP-OALUTQOASA-N 384.545 4.847 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1ccc(Br)cc1C 2325842061 NFFWRSPUFHSQGK-IRXDYDNUSA-N 376.338 4.568 0 50 GJAA O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 2325871342 IQSWCJVQBWAPDK-HXUWFJFHSA-N 390.874 4.671 0 50 GJAA COc1cccc(C(=O)COc2cccc(NC(=O)c3ccccc3Cl)c2)c1 993021 YLPKMGGGXYLDHM-UHFFFAOYSA-N 395.842 4.863 0 50 GJAA COc1ccc(-c2cc(C(=O)NC(C)C)c3cc(Br)ccc3n2)cc1 1002871 LMGYFNDQWYOABX-UHFFFAOYSA-N 399.288 4.811 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C)sc2c1CCCC2 1066669 HDLUKJPCQBRRPT-AWEZNQCLSA-N 387.501 4.518 0 50 GJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1117872 VTJADHPZSBFFJF-UHFFFAOYSA-N 379.799 4.942 0 50 GJAA Cc1c(OS(=O)(=O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 2994515 OZHRRMFOACYSFD-UHFFFAOYSA-N 392.432 4.536 0 50 GJAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 5902120 RGMCWRNFVPOZOU-GFCCVEGCSA-N 388.533 4.751 0 50 GJAA CCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccc(Cl)c(C)c3n2)cc1 6489956 FHBNWDAYWFPHLX-UHFFFAOYSA-N 394.902 4.898 0 50 GJAA Cc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2c1 6506507 MRJVZUWRGUGYJB-UHFFFAOYSA-N 387.508 4.869 0 50 GJAA Cc1ccc2oc(-c3cccc(NS(=O)(=O)c4ccccc4)c3C)nc2c1 22135486 AWLVPCPSEAJTLP-UHFFFAOYSA-N 378.453 4.912 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn2c3c(cccc3c1=O)CC2 33088756 HATKAGQVEWVDQQ-UHFFFAOYSA-N 382.419 4.602 0 50 GJAA Cc1oc(-c2cccs2)nc1CNc1cc(Cl)ccc1N1CCOCC1 193111960 ZRBOZVOPTMUSTP-UHFFFAOYSA-N 389.908 4.814 0 50 GJAA O=C(Cc1ccc2[nH]ncc2c1)Nc1ccc(Cc2nc3ccccc3s2)cc1 241371327 MMRBGGTUCIVPJQ-UHFFFAOYSA-N 398.491 4.945 0 50 GJAA c1ccc2sc(N3CCCN(Cc4ccc([C@H]5CCCCO5)o4)CC3)nc2c1 952960170 CDXBGOVBBRXOHD-LJQANCHMSA-N 397.544 4.843 0 50 GJAA Cc1nc2cc(C(=O)N3CCCC[C@H]3CCc3cccc(O)c3)ccc2s1 952967374 JLXOGXAOTWPWDV-SFHVURJKSA-N 380.513 4.938 0 50 GJAA O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822666 HNZSHKKQLICHQR-UHFFFAOYSA-N 399.853 4.553 0 50 GJAA CC(C)OC(=O)[C@H](OC(=O)c1ccc(SC(F)F)cc1)c1ccccc1 2325875580 WYTIXXGRRUUBFW-MRXNPFEDSA-N 380.412 4.851 0 50 GJAA CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 827843 YJDQFFZAAGGZJI-UHFFFAOYSA-N 386.407 4.546 0 50 GJAA CCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1Cl 1068074 CGOOLVXUCMDUMC-LLVKDONJSA-N 386.300 4.532 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(F)cc1 2522191 UIBIQTOZVPNDHW-UHFFFAOYSA-N 399.443 4.748 0 50 GJAA CCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 2850112 DEELBZBALUACTP-VBKFSLOCSA-N 386.245 4.582 0 50 GJAA Cc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 2984506 RFKGPDPZBDOSDU-UHFFFAOYSA-N 390.357 4.514 0 50 GJAA CCCCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 4696321 MPWZHYPLPJVIGS-UHFFFAOYSA-N 378.516 4.910 0 50 GJAA COC(=O)c1ccc([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)cc1 4789004 RRDRXWGBAPJIMR-PERKRYKHSA-N 382.456 4.636 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cscn2)C1 12430792 HIMFRIDNGSVVAR-LJQANCHMSA-N 376.481 4.545 0 50 GJAA O=C(NC[C@H]1CCCN(C(=O)C2CCCCCC2)C1)c1cccc2ccccc12 12716082 FTPHVMIBTCLNPP-LJQANCHMSA-N 392.543 4.779 0 50 GJAA O=C(c1cc2ccccc2o1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 14976734 KFLXYIMUGOJHOW-XMMPIXPASA-N 392.474 4.700 0 50 GJAA Cc1cc(CN(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc(C)c1O 15063358 PTWMSQHPLDQMKR-FQEVSTJZSA-N 384.539 4.535 0 50 GJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 33086819 HKXKWIHSLOAYKP-MRXNPFEDSA-N 385.851 4.831 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN(C)Cc1cc[nH]n1 72426760 CLPFYLOXDLJJET-UHFFFAOYSA-N 392.890 4.919 0 50 GJAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@H]1C[C@H]1c1ccccc1Cl 109338288 BGZYSPYLXWJKSC-DOXZYTNZSA-N 381.863 4.810 0 50 GJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c1 239121178 JLZPIYNQRVMYFT-RCTKEMKKSA-N 385.463 4.653 0 50 GJAA COc1ccc(C)cc1C1(CNC(=O)c2scc(C)c2Cl)CCOCC1 240912232 IWPXDYYGZWHDHM-UHFFFAOYSA-N 393.936 4.505 0 50 GJAA O=C(NC[C@H]1CC12CCSCC2)c1cc(-c2cccnc2)nc2ccccc12 817460021 LMIYOGMUTBGTTR-QGZVFWFLSA-N 389.524 4.560 0 50 GJAA O=C(Nc1ccccc1OCCc1ccccc1)N1CCC(c2ccon2)CC1 888101916 KWQGDBBBHHDQKL-UHFFFAOYSA-N 391.471 4.708 0 50 GJAA CC(C)(NC(=O)N[C@H]1COc2c(F)cc(F)cc2C1)c1ccc2ccccc2c1 1479559333 MRLZDCXGQAEFDX-LJQANCHMSA-N 396.437 4.656 0 50 GJAA Cc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n[nH]c1-c1ccccc1 2325822772 NWKUEGPHUGZHGY-UHFFFAOYSA-N 395.890 4.722 0 50 GJAA O=C(Nc1cccc(F)c1)Oc1ccc(Br)cc1Br 641533 DDMZRQMPMMMXAL-UHFFFAOYSA-N 389.018 4.962 0 50 GJAA COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1 658840 KXWZSVAWRKILFR-UHFFFAOYSA-N 393.443 4.946 0 50 GJAA Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Cl)cc1 955228 YPMURMUFLYONJX-UHFFFAOYSA-N 396.896 4.681 0 50 GJAA CCc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 1169881 UVMBMCGBXKYUAP-UHFFFAOYSA-N 385.632 4.759 0 50 GJAA Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 1219028 KPLVBPYGIPVZAK-UHFFFAOYSA-N 376.387 4.960 0 50 GJAA CCc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 2843739 KTBPQQYECIRJLK-MSOLQXFVSA-N 383.293 4.749 0 50 GJAA CCCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccccc3)c(Cl)cc12 2995210 IOFFZFJPAXHVJM-UHFFFAOYSA-N 392.860 4.557 0 50 GJAA Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 4741100 CIZHVBSVBHYWEN-UHFFFAOYSA-N 398.462 4.850 0 50 GJAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 4880482 DLVKKWVVFHDKLY-UHFFFAOYSA-N 390.418 4.595 0 50 GJAA Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)N(c2ccc(F)cc2)C3=O)cc1 9009127 PZLCUCBAPYNLII-HSZRJFAPSA-N 399.425 4.980 0 50 GJAA CC[C@H](COC)NCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 12074340 BHOKNCARANAYFG-GOSISDBHSA-N 385.458 4.641 0 50 GJAA C/C(=C\c1ccccc1)CN1CCC2(CC1)C[C@@H]2C(=O)Nc1cccc(F)c1 12097573 XURPUYPPPDLKKU-OVWUPXBPSA-N 378.491 4.970 0 50 GJAA O=C(CC[C@H]1CCCN(CCc2ccccc2)C1)NCc1ccccc1Cl 12585485 UUWOWVZMDXOMAT-HXUWFJFHSA-N 384.951 4.691 0 50 GJAA CC(=O)c1cccc(NC(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)c1 15077263 SGLMZRKITOFGFI-XMMPIXPASA-N 394.515 4.519 0 50 GJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)on1 35511459 HJNATNUYGBMYCD-AWEZNQCLSA-N 382.233 4.508 0 50 GJAA CCC[C@H](C)N(CC)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)cccc12 63868760 LIRSTZPBHMZCLS-INIZCTEOSA-N 376.504 4.959 0 50 GJAA CC(C)c1nc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)no1 67674101 GTLSYBMKMGULBV-UHFFFAOYSA-N 399.878 4.614 0 50 GJAA COCC1(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CCC1 71771112 BTOKGUMFAJFFGB-INIZCTEOSA-N 383.454 4.693 0 50 GJAA O=C(O)[C@H]1[C@H]2c3ccc4ccccc4c3[C@@H](c3ccc4ccccc4c32)[C@@H]1C(=O)O 100991140 LBRBVSQTXLMADP-KIHHCIJBSA-N 394.426 4.985 0 50 GJAA CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccccc1N1CCCCCC1)C2 182909116 YJMVREJRWYKYSE-UHFFFAOYSA-N 395.551 4.514 0 50 GJAA Cc1ccc(S(=O)(=O)C2=C([Si](C)(C)C)[C@H]3C[C@H]2[C@H]2[C@@H]3[C@H]3C=C[C@H]2C3)cc1 252427840 ICWLQQYPCCHARK-ULFLFZEMSA-N 384.617 4.988 0 50 GJAA C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 299802263 YKTULAQRHMEQCJ-MRXNPFEDSA-N 385.533 4.989 0 50 GJAA CC(C)OCc1cccc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 374393259 VIHMVPBSBODXHU-LJQANCHMSA-N 396.535 4.556 0 50 GJAA CC(C)(C)[C@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1775956151 WMAITKNAVDCEQY-XMMPIXPASA-N 393.483 4.758 0 50 GJAA O=C(O)c1sc2cccc3c2c1NC(=O)C3(c1ccccc1)c1ccccc1 1875347242 SAHRTIYMIFTINN-UHFFFAOYSA-N 385.444 4.886 0 50 GJAA C=CC(=O)NC[C@@H](NC(=O)[C@@H]1CC=Cc2ccccc21)c1ccc2ccccc2c1 1875385873 DGZFIKMJICMYKE-DNQXCXABSA-N 396.490 4.500 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 1875390494 CVNYHSDFZXHMMJ-BOZXXQHLSA-N 390.564 4.686 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCC2 715546 BTTKPDXPEYNEIO-UHFFFAOYSA-N 387.501 4.554 0 50 GJAA COc1cc(C(=O)Oc2ccc3c(c2)[C@H](C)CC(C)(C)N3)cc(OC)c1OC 806575 OOFXJVZNXXYRML-CYBMUJFWSA-N 385.460 4.629 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@H](C(C)(C)C)C2 996099 DXEXNLXWWMEKON-AWEZNQCLSA-N 386.517 4.723 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 1186708 MEOKVCSXPYVYQN-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 1188809 IAIUGBGDTKFMAU-UHFFFAOYSA-N 376.547 4.813 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 1200825 KYIGFWYFDRGGOC-QMMMGPOBSA-N 383.300 4.531 0 50 GJAA O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1 1221153 WAYFETOLWBMOKP-UHFFFAOYSA-N 387.302 4.678 0 50 GJAA C[C@@H]1N=C(c2cccc(C3=N[C@@H](C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1 2387279 WAQJMWVRZVOTCH-ZCVTWQBDSA-N 397.478 4.895 0 50 GJAA C[C@H](NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1 2485409 SYSNGQRLGPAVBG-AWEZNQCLSA-N 392.409 4.825 0 50 GJAA Cc1ccn2cc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 4809727 FMZLWSCIIRXPMT-UHFFFAOYSA-N 391.858 4.981 0 50 GJAA CC(C)C(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1 15067392 GGWSSBXZBKIXRV-QFIPXVFZSA-N 399.506 4.611 0 50 GJAA CCn1ccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 15074743 XIGBLGGBBJUFGL-IBGZPJMESA-N 381.907 4.737 0 50 GJAA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@@H](C)c3ccn(C)n3)cc12 20615990 HKEILRISVUOKME-KRWDZBQOSA-N 386.499 4.531 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 36613012 CCDFNZRIXBXVSZ-DJRBHIHUSA-N 392.543 4.828 0 50 GJAA COc1ccc(-c2nc(CN3CCN(c4ccc(C)cc4C)CC3)c(C)o2)cc1 55576101 GRSOKLLFVJMYHC-UHFFFAOYSA-N 391.515 4.598 0 50 GJAA Clc1ccc(CN2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 65505890 DRNZKBLIRXLLGO-SFHVURJKSA-N 393.874 4.515 0 50 GJAA CN1C(=O)[C@@](C)(CCC2CCN(CCc3ccccc3)CC2)c2ccccc21 96027140 QZXYESIHHFZZEC-VWLOTQADSA-N 376.544 4.656 0 50 GJAA Nc1nc(-c2ccccc2)c2cc3c(nn12)C[C@H](c1cccc(Cl)c1)CC3=O 169681372 OTEIHVQLIWDEMC-HNNXBMFYSA-N 388.858 4.545 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc12 170612460 QVUGAZCXRZRZFW-IBGZPJMESA-N 393.874 4.903 0 50 GJAA O=C(c1nc(Br)sc1C1CC1)N1CCCc2cc(F)c(F)cc21 253432246 XMMDAWOFMWYOIL-UHFFFAOYSA-N 399.260 4.654 0 50 GJAA O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 333814715 HPOLSLVSTZHKHY-FUHWJXTLSA-N 385.533 4.579 0 50 GJAA O=C(O)c1cccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1Cl 846246676 QBXXVQREZJRTPS-IBGZPJMESA-N 394.298 4.637 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)[C@@H](C)N(C)C2CCCCC2)cc1Cl 952964564 OAGOYSDRUMFBQP-CQSZACIVSA-N 379.932 4.526 0 50 GJAA CC[C@@H](Sc1nc(O)c2c(-c3ccc(F)cc3)c(C)sc2n1)C(=O)OC 2325736974 MZNRORUJAVTBIY-GFCCVEGCSA-N 392.477 4.555 0 50 GJAA COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)c1 942138 DEMYCDTWNMZHSN-KPKJPENVSA-N 397.471 4.559 0 50 GJAA aggregator,biogenic O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc(Cl)cc2)on1 2465524 ARQSZUGDNNKAAW-UHFFFAOYSA-N 396.809 4.631 0 50 GJAA COc1ccc(CCNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 2841839 YMEVNCPOWVPDFA-UHFFFAOYSA-N 377.513 4.968 0 50 GJAA COc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cc(OC)c1OC 4740666 NYCIGRYMJLTDGY-UHFFFAOYSA-N 391.423 4.589 0 50 GJAA Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)N(c2ccc(F)cc2)C3=O)cc1 9009128 PZLCUCBAPYNLII-QHCPKHFHSA-N 399.425 4.980 0 50 GJAA CCc1ccccc1NC(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 19299878 NEOOHYHNZLSIHY-UHFFFAOYSA-N 386.923 4.752 0 50 GJAA Fc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 19359445 HDUFJRZBCVMGNB-UHFFFAOYSA-N 376.475 4.936 0 50 GJAA CC1CCN(C(=O)c2ccc(NC(=O)c3cnc(-c4ccco4)s3)cc2)CC1 171458229 PGRMEBAQWMGNPE-UHFFFAOYSA-N 395.484 4.528 0 50 GJAA C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1nc(Cc2ccc(Cl)cc2)no1 174054233 JOYAUGIDSQDFKZ-ZDUSSCGKSA-N 396.878 4.762 0 50 GJAA CCOC(=O)c1sc(NC(=O)[C@@H](C(C)C)n2cccc2)nc1-c1ccccc1 263588035 OEZZLWHKUUTOAB-QGZVFWFLSA-N 397.500 4.624 0 50 GJAA CCCCN(C(=O)c1ccc(-c2ccc(CC(N)=O)cc2)cc1)C1CCCC1 534670092 QSAMPXGDDGCDCS-UHFFFAOYSA-N 378.516 4.566 0 50 GJAA CC[C@@H](NC(=O)Nc1ccc2ccccc2n1)c1nc(C(F)(F)F)cs1 1311069025 WZDRLGGMUHMRKN-LLVKDONJSA-N 380.395 4.983 0 50 GJAA O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(Cl)c(Cl)c1 1875303290 LFLSHYIJNATZBY-UHFFFAOYSA-N 384.675 4.840 0 50 GJAA COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2ccncc12 2325822569 BZBCXUACFYCTIX-UHFFFAOYSA-N 396.874 4.580 0 50 GJAA Cc1ccccc1CNc1ccccc1NC(=O)c1cccc2c1NC(=O)CC2 2325841908 JIQVBKDOKDEGQF-UHFFFAOYSA-N 385.467 4.744 0 50 GJAA Cc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O 645407 SUTGAWCQKVSPFL-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA CN(C(=O)Oc1ccc(OC(=O)N(C)c2ccccc2)cc1)c1ccccc1 1122259 AZHVWUCGKBNZAP-UHFFFAOYSA-N 376.412 4.957 0 50 GJAA COc1cccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 1151669 NBFNHFWHVJALOZ-UHFFFAOYSA-N 386.403 4.730 0 50 GJAA biogenic Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 3864118 WCAYKVUDNCORBO-MSOLQXFVSA-N 398.528 4.923 0 50 GJAA O=C(COC(=O)c1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1 4724801 MCDUYCVKMOTVLE-UHFFFAOYSA-N 395.252 4.741 0 50 GJAA COc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C(F)(F)F)cc1 4844646 BJEKZQCEUOWSCS-UHFFFAOYSA-N 378.350 4.794 0 50 GJAA Cc1nn2c(NC[C@@H]3CCCO3)cc(-c3ccccc3)nc2c1-c1ccccc1 7636166 PDTZBLIFHFJROH-FQEVSTJZSA-N 384.483 4.963 0 50 GJAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)Cc1ccccc1)C2 14984243 SHCCCKXBQUQXFR-UHFFFAOYSA-N 387.479 4.634 0 50 GJAA CSc1ccccc1C(=O)NC[C@H]1Cc2cccc(-c3ccc(C)cn3)c2O1 14987035 RZNVLRKDWNIOFI-QGZVFWFLSA-N 390.508 4.512 0 50 GJAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cn(C2CCCCC2)nn1 15064708 PRCCXVZCMHLVFZ-JOCHJYFZSA-N 391.519 4.660 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@H](C)C2 15746432 XBAQWDFQVMWKEY-RRQGHBQHSA-N 383.513 4.792 0 50 GJAA Clc1ccc2[nH]c([C@H]3CCCN3Cc3nc(-c4cccs4)no3)nc2c1 19731135 SYQIDGKWJYOPDJ-CQSZACIVSA-N 385.880 4.665 0 50 GJAA Cc1nn2c(NC[C@@H]3CCCO3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799305 WGSWPDBZGXKXGT-KRWDZBQOSA-N 382.483 4.732 0 50 GJAA O=C(Nc1ccc(Br)cc1F)c1cc(O)ccc1C(F)(F)F 170610185 GKZYNXLILJRIRB-UHFFFAOYSA-N 378.119 4.565 0 50 GJAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)ccc21 230069544 VFNBTGWCOBECDM-NYDSKATKSA-N 389.495 4.793 0 50 GJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1 239121176 JLZPIYNQRVMYFT-CSCWZEDUSA-N 385.463 4.653 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)c1ccc(CN2CCCC2)o1 952975919 DHJWTFFSCVXMAL-UHFFFAOYSA-N 395.503 4.565 0 50 GJAA Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)c3ccccn3)no2)cc1 1857798483 IVXPKPUCCWVHKG-UHFFFAOYSA-N 375.453 4.954 0 50 GJAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)OCc1cc(Cl)ccc1Cl 1875337913 IYZDVIPHHDOMID-UHFFFAOYSA-N 379.218 4.890 0 50 GJAA Cc1nn(C(C)C)cc1C(=O)Nc1cccc([C@H](C)Sc2nccn2C)c1 2325802976 IFIFHOSQUJXHNR-HNNXBMFYSA-N 383.521 4.612 0 50 GJAA COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)c2ccccc2n1 647702 KCLCLFUNFBCLHT-UHFFFAOYSA-N 386.426 4.980 0 50 GJAA Cc1cc(NC(=O)COc2ccccc2C)ccc1NC(=O)c1cccs1 921688 ULOIGXPDGPJWSC-UHFFFAOYSA-N 380.469 4.635 0 50 GJAA CCc1cc(I)ccc1NC(=O)c1cc2ccccc2o1 1265686 ICONSCDGLVEAKJ-UHFFFAOYSA-N 391.208 4.852 0 50 GJAA Brc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 10315526 SLUIYWIFFFSVDJ-UHFFFAOYSA-N 383.289 4.713 0 50 GJAA CN(Cc1ccccn1)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 11664918 UJAQFIPGMATDAI-FQEVSTJZSA-N 380.875 4.621 0 50 GJAA COc1ccc2cc([C@H](C)NC(=O)c3cn(CC4CCCCC4)nn3)ccc2c1 12091822 MUYLHYUZYRKGNI-INIZCTEOSA-N 392.503 4.511 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1 12301600 IOCAABZTXJMNBJ-LJQANCHMSA-N 385.577 4.898 0 50 GJAA O=C(NCc1cccnc1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 12319729 VFXMNGHAJCRTSE-UHFFFAOYSA-N 397.356 4.839 0 50 GJAA Cc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20100593 NNVWIVSGXBUMSV-UHFFFAOYSA-N 385.511 4.934 0 50 GJAA COc1cccc(C(=O)[C@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)c1 20601044 JCQYJVFHGAYNMY-IBGZPJMESA-N 392.524 4.914 0 50 GJAA Cc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20653878 ORQYXDUTUKYROD-UHFFFAOYSA-N 385.511 4.934 0 50 GJAA c1cnc(Oc2cccc(CN(Cc3ccsc3)C[C@H]3CCCO3)c2)nc1 55133856 SMUWVLLSMLXXJI-HXUWFJFHSA-N 381.501 4.512 0 50 GJAA Cc1ccc(-c2nc(CN3CCN(c4cc(Cl)ccc4C)CC3)c(C)o2)o1 55369590 ZGNVXQTVUJATLT-UHFFFAOYSA-N 385.895 4.835 0 50 GJAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2CC2CCOCC2)cc1 65369977 UJVFHPSVWFVUGW-UHFFFAOYSA-N 375.472 4.602 0 50 GJAA CCc1cccc(NC(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)c1 91943434 XGKXJLXYICZCKX-HSZRJFAPSA-N 385.552 4.532 0 50 GJAA Cc1cccc([C@@H]2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)c1 96139846 SVZXVRPCVHNZSG-LJQANCHMSA-N 377.488 4.533 0 50 GJAA O=C(c1ccc(NCc2cccc3ccccc23)cc1Cl)N1CCOCC1 170643290 HFFAOEFYAYEFAF-UHFFFAOYSA-N 380.875 4.578 0 50 GJAA Cc1cc2c(cc1C)[C@@H](c1nc(-c3cccc(OCc4cccnc4)c3)no1)CO2 225630934 SYZYGVJLBKPQDU-NRFANRHFSA-N 399.450 4.852 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C 257356728 JYBLPRVSUYUPPM-KLSQEWAWSA-N 385.592 4.878 0 50 GJAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc(-c2ccncc2)cc1 426599575 LMTXGUOXXWPFLQ-DEOSSOPVSA-N 385.511 4.706 0 50 GJAA O=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1cccs1)c1ccccn1 1857798688 XKINFELPJQONQA-UHFFFAOYSA-N 379.416 4.784 0 50 GJAA C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)c1ccc(F)cc1F 1875257145 XSDPHONFGLNZJF-VKJYCEFSSA-N 389.402 4.756 0 50 GJAA CCSc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1 2628908 PWDMBZRCEQLYPI-UHFFFAOYSA-N 398.307 4.720 0 50 GJAA CC1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1 2750832 OUCVMWRCSHHNSD-UHFFFAOYSA-N 388.305 4.900 0 50 GJAA COc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OCc1ccccc1 4471181 LSBADOWRZSRYNO-STZFKDTASA-N 399.446 4.927 0 50 GJAA Cc1c(Cl)cc2nc(SCC(=O)NCCc3ccccc3)oc2c1Cl 4727339 SNGCZJFVGRUUIW-UHFFFAOYSA-N 395.311 4.894 0 50 GJAA Cc1cc(Cl)c(OCCOCCOc2ncnc3ccccc23)c(Cl)c1 5042622 MGTFRFNVCFDBMD-UHFFFAOYSA-N 393.270 4.719 0 50 GJAA O=C(NCCc1cscn1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 11813684 YDBHGCZCYAWQAH-UHFFFAOYSA-N 397.887 4.501 0 50 GJAA CN(Cc1cccs1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12050821 YJWOCHFAZCHTAL-UHFFFAOYSA-N 376.481 4.947 0 50 GJAA CSc1cccc(NC(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)c1 12196310 LWJVZWZTLOCMMR-FQEVSTJZSA-N 383.561 4.579 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@@H](CO)C2)c(C)s1 12578269 PDSHNUNLUUHOES-QGZVFWFLSA-N 399.535 4.561 0 50 GJAA COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 19833817 ALTPZJDOUFZYFT-SIKLNZKXSA-N 391.858 4.986 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C 63872570 ANBYAGNKWYEWSG-HNNXBMFYSA-N 386.499 4.811 0 50 GJAA COCC1CCN(C(=O)N[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 112454677 OQNOEXJIHHJNSE-MRXNPFEDSA-N 387.549 4.556 0 50 GJAA Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 134905149 SPFADBWUFKYFTN-ZDUSSCGKSA-N 394.418 4.714 0 50 GJAA Cc1cccc(-c2cncc(C(=O)Nc3cccc(Oc4cnccn4)c3)c2)c1 156723874 SLZKRZUNAJASLB-UHFFFAOYSA-N 382.423 4.892 0 50 GJAA O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585884 NNUXRYYFELGESV-SFHVURJKSA-N 396.446 4.892 0 50 GJAA biogenic O=C(C[C@H](c1cccc2ccccc12)n1cccc1)NCCc1ccc(O)cc1 263587329 FPVSISDVYIWURY-XMMPIXPASA-N 384.479 4.685 0 50 GJAA CC[C@@H](NC(=O)c1coc(-c2ccc(F)cc2)n1)c1nc(C(F)(F)F)cs1 1875320799 LIHRUOGWLRNDQM-LLVKDONJSA-N 399.369 4.837 0 50 GJAA C=CC(=O)N(C1CCC2(CCCC2)CC1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 1875386990 IMWQXUYMXHLKRQ-OAQYLSRUSA-N 397.563 4.555 0 50 GJAA Cc1cc(CN[C@@H](C)c2ccc(F)c3ccccc23)nc(N2CCCCC2)n1 2325732314 SKVZDLFUUNFITM-KRWDZBQOSA-N 378.495 4.918 0 50 GJAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@]12CCCC[C@H]1OCC2 2325839163 KQZJKLMVXWTIMD-GGAORHGYSA-N 394.540 4.897 0 50 GJAA COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1110417 BFXWZAAJRAGAAS-UHFFFAOYSA-N 378.394 4.957 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)c2)c1 12022076 UHVSRWPTRCLEST-FQEVSTJZSA-N 388.467 4.746 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1 19791471 WTMWVGUPZHLANA-OAQYLSRUSA-N 390.483 4.816 0 50 GJAA Fc1ccc(Oc2ccnc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)n2)cc1 111107018 HKECNMDGASRHOE-HNNXBMFYSA-N 389.434 4.668 0 50 GJAA COC[C@H](C)Nc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 225496304 QKSOBSGVVPKBBM-INIZCTEOSA-N 377.444 4.573 0 50 GJAA Cc1ccc(Cn2nccc2NC(=O)c2sc3ccccc3c2Cl)cc1 238900864 KLPMPBMHDONACY-UHFFFAOYSA-N 381.888 5.360 0 50 GJAA CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2ccc(Cl)cc2F)cc1 426698138 AEKSDLAEBMJJBV-UHFFFAOYSA-N 375.871 4.913 0 50 GJAA Cc1csc(-c2ccc(NC(=O)N[C@@H]3CCO[C@H](c4cccnc4)C3)cc2)n1 454686436 LZCGYJLBBZCSCU-MOPGFXCFSA-N 394.500 4.555 0 50 GJAA COc1ccccc1-c1coc2cc(OC(=O)c3cccs3)ccc2c1=O 940556 MSYJCBRHHVVEEY-UHFFFAOYSA-N 378.405 4.749 0 50 GJAA biogenic c1ccc(-c2nnc(SCc3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 1061928 OLJGDOBIJSYBKN-UHFFFAOYSA-N 387.464 4.955 0 50 GJAA Cc1c(NC(=O)Nc2ccccc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 2871297 WJVXVTNPRIELIN-UHFFFAOYSA-N 398.466 4.795 0 50 GJAA Cc1nc(=O)c(-c2ccccc2)c(C)n1CCOC12CC3CC(CC(C3)C1)C2 4593474 BXYHSPDXSDDZKP-UHFFFAOYSA-N 378.516 4.513 0 50 GJAA O=C(/C=C/c1ccccc1)N/C(=C/c1ccccc1)C(=O)OCc1ccccc1 4844977 ZLALNIFORSZPSX-PNUIMDNNSA-N 383.447 4.601 0 50 GJAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 16677650 DDACRHHJILWIBA-YFJHUXEUSA-N 387.608 4.779 0 50 GJAA CC(=O)O[C@H](COC(c1ccccc1)c1ccccc1)CN1[C@@H](C)CCC[C@@H]1C 96027808 FJYUFFBYTLIJHR-SKPFHBQLSA-N 395.543 4.987 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1[C@H]2CC[C@@H]1C[C@H](O)C2 102705477 NYKCLOKQISORAA-PMOLBWCYSA-N 390.483 4.930 0 50 GJAA O=C(NCCCNc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 110742780 WINQKEUSTNAKRD-UHFFFAOYSA-N 382.467 4.529 0 50 GJAA CC1(C)CN(C(=O)NC2CCC3(CCCCO3)CC2)[C@@H]1c1ccc(F)c(F)c1 2325826703 JYRGQCMLNDMUFD-COFLGROHSA-N 392.490 4.939 0 50 GJAA O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325842164 QABBSOXZLWTYCA-GOSISDBHSA-N 397.425 4.665 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 2978584 MHNHXZMEMOTSGJ-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA O=C(COc1ccc2ccccc2c1)Nc1ccc2nn(-c3ccccc3)nc2c1 2980153 FGXRJGBEDBJLQE-UHFFFAOYSA-N 394.434 4.591 0 50 GJAA O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1 3817388 XRKYMMUGXMWDAO-UHFFFAOYSA-N 395.505 4.759 0 50 GJAA in-vivo Cc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1 4903535 PKQGAMQAVLREFR-UHFFFAOYSA-N 395.260 4.916 0 50 GJAA Cc1nn2c(NCCN(C)C)cc(C(C)(C)C)nc2c1-c1ccccc1Cl 5347806 UXGFENLBZYTJDZ-UHFFFAOYSA-N 385.943 4.629 0 50 GJAA CCc1nn2c(Nc3ccc(NC(C)=O)cc3)cc(C)nc2c1-c1ccccc1 7572478 JKZPMGXFXDGQOR-UHFFFAOYSA-N 385.471 4.969 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1cccs1 12020658 VVRSCJWKAANTKD-KRWDZBQOSA-N 380.513 4.650 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@](CO)(CCc2ccccc2)C1 12465127 NEHRPFVCDUHEOC-NRFANRHFSA-N 391.433 4.553 0 50 GJAA O=C(CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1)c1ccccc1 15068577 RILWNLLVVXOTBL-RUZDIDTESA-N 396.575 4.544 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2cc(C(C)(C)C)ccc12 17079935 JNYSEZQFJXLYOQ-UHFFFAOYSA-N 391.489 4.569 0 50 GJAA O=C(/C=C\c1ccccc1)N[C@@H](Sc1ccccn1)C(Cl)(Cl)Cl 25691126 ASUUWJZQXZZQMW-KVPUOBJLSA-N 387.719 4.700 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cnc(C)s2)CC1 55270691 WDDPZZJXKJWGGZ-UHFFFAOYSA-N 386.561 4.620 0 50 GJAA Cc1ccc([C@H](C)CCN2CCC(Cc3nncn3-c3ccccc3)CC2)o1 55284022 MCDYYLPBKCVTLG-GOSISDBHSA-N 378.520 4.617 0 50 GJAA Cc1cccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)c1C 55543169 IFAFRCPRPVTOGJ-UHFFFAOYSA-N 377.301 4.527 0 50 GJAA CC1(C)CCN(C(=O)c2cc(-c3cnc(C4CC4)nc3)nc3ccc(F)cc23)C1 63844498 DVPIYUPXVCCOTN-UHFFFAOYSA-N 390.462 4.580 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3onc4ccccc34)C2)cc1 67880179 SMRVDJCBSXTTRI-KRWDZBQOSA-N 386.455 4.546 0 50 GJAA O=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCC(F)(F)CC1 96151392 YOHFDRRXMQFTFU-UHFFFAOYSA-N 377.460 4.679 0 50 GJAA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@@H]2C1 101704975 HQPNSBBYHKECIY-XOKHGSTOSA-N 396.874 4.518 0 50 GJAA COc1cc([C@@H](C)Nc2ccnc(C3CC3)n2)ccc1OCc1ccncc1 110236327 QYSIBVOUXXQEPG-OAHLLOKOSA-N 376.460 4.510 0 50 GJAA COc1ccccc1C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1OC 170618111 LICZRWYHYROUCX-IBGZPJMESA-N 392.480 4.757 0 50 GJAA CC(C)Cc1noc([C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3F)C2)n1 1529168443 DNIYJYAILAEPBY-CQSZACIVSA-N 385.405 4.806 0 50 GJAA O=C(Nc1ccccc1I)c1ccccc1C(F)(F)F 786409 PUCQAWATCXZBJQ-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA COc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1 807937 PGRKUTHGAIQXDD-UHFFFAOYSA-N 390.464 4.581 0 50 GJAA Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 1058137 RUSBYGWNRADNMO-UHFFFAOYSA-N 392.459 4.505 0 50 GJAA Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2Sc2ccccc2)cc1 1178240 QLQKNNBGTKMQFB-UHFFFAOYSA-N 398.509 4.657 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 1225941 YKHIQTJPFXHGRX-NFJKTXFASA-N 399.877 4.911 0 50 GJAA biogenic COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(C)cc1)CC2 2825699 OXHAMQHOSWNYJL-DEOSSOPVSA-N 387.479 4.800 0 50 GJAA Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1 2867519 ZMSARCQUHKFBSF-UHFFFAOYSA-N 397.434 4.895 0 50 GJAA C[C@@H]1CCC[C@@H](C)N1CCCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 5735701 DTOKETCXTCHCDD-PQNGQFLHSA-N 394.559 4.966 0 50 GJAA in-vitro O=C(CCC1CCN(C(=O)CCCc2ccccc2)CC1)Nc1ccccc1 11997093 KAXNMWXTNOBTDK-UHFFFAOYSA-N 378.516 4.667 0 50 GJAA Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(NCc3ccco3)c12 12020305 OULSOURMEWCYLM-UHFFFAOYSA-N 384.505 4.610 0 50 GJAA c1ccc(SCc2n[nH]c3c2CN(Cc2ccc4ccccc4n2)CC3)cc1 19790039 YEVSFDLXOUSPDR-UHFFFAOYSA-N 386.524 4.809 0 50 GJAA Clc1ccc(CN2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)cc1 72440771 SXGNZWYUTFJDJU-LJQANCHMSA-N 376.953 4.571 0 50 GJAA CC(C)N(CCNC(=O)[C@H](Oc1ccccc1)c1ccccc1Cl)C(C)C 96027293 VCWHTDGKOCOWGM-OAQYLSRUSA-N 388.939 4.695 0 50 GJAA Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)c2)n1 161968275 LOLMSSUZLNTGEW-IRLDBZIGSA-N 390.487 4.531 0 50 GJAA Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 169754582 NPKLXCJZXQXJFP-SFHVURJKSA-N 381.863 4.605 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@H](C)[C@H](C)N 262533712 OSODOPHJCJLARQ-CABCVRRESA-N 382.483 4.654 0 50 GJAA C[C@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[C@@H]1OCCc2sccc21 429914891 VTPMILVWGJPRBA-SJCJKPOMSA-N 383.435 4.675 0 50 GJAA Cc1ccc(-c2ocnc2C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 447654693 ZREHTRYIGRTBCH-UHFFFAOYSA-N 394.381 4.581 0 50 GJAA O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 450382755 XYLGJDTXJYYMPJ-GSEOLPGOSA-N 389.417 4.703 0 50 GJAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1ccc2cccc(F)c2n1 828170840 VBYRHRVYKTWQIO-GOSISDBHSA-N 380.419 4.574 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC)cc1 651593 DQLKSRCUKBQYAS-UHFFFAOYSA-N 381.453 4.853 0 50 GJAA O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccco1 1131382 LOWCYFMMJSEABM-UHFFFAOYSA-N 382.872 4.984 0 50 GJAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 1185100 LSOZWUIEJICDOC-UHFFFAOYSA-N 380.257 4.903 0 50 GJAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccccc2)CC1 1188435 XRFNBKOKYAYSHZ-UHFFFAOYSA-N 393.490 4.864 0 50 GJAA O=C(/C=C/c1ccccc1)Nc1ccc(I)cc1Cl 1217433 KMRMTOABJWNYHN-RMKNXTFCSA-N 383.616 4.597 0 50 GJAA O=C(NCc1ccco1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 1517260 NGEWMLOIOGNCML-UHFFFAOYSA-N 394.434 4.586 0 50 GJAA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C)n(C)n5)nc4c23)C1 2798596 PQKBHXMXNUUDPN-CYBMUJFWSA-N 394.548 4.589 0 50 GJAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2850626 UJGJSTMYQCIHNQ-JTQLQIEISA-N 388.183 4.874 0 50 GJAA CC(=O)Nc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 4806650 WXKNICRUTJGSGI-DTQAZKPQSA-N 396.450 4.769 0 50 GJAA O=C(CCSCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 4894356 HSJHXHLLRJTSJG-UHFFFAOYSA-N 392.609 4.513 0 50 GJAA Cc1ccc(CN(C)[C@@H](c2ccccc2)c2nnnn2-c2ccccc2C)c(C)c1 5032345 VEMCWZUNGNLYDS-DEOSSOPVSA-N 397.526 4.809 0 50 GJAA COc1ccccc1N1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 5275098 CILYJIVNFZLDOT-XNTDXEJSSA-N 390.258 4.699 0 50 GJAA COc1ccccc1CCC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 12053914 NJIJWRQQHRDHGY-UHFFFAOYSA-N 396.874 4.521 0 50 GJAA COc1ccccc1/C=C/CN1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12585279 VCCRFAZUYUPLNS-LKYAVPRHSA-N 385.935 4.679 0 50 GJAA COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OCCCn1ccnc1 55227668 ILULDYBZLLMUAT-UHFFFAOYSA-N 376.460 4.521 0 50 GJAA Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 129953942 XHCLUBSCZJFSMS-UHFFFAOYSA-N 397.862 4.566 0 50 GJAA Cc1ccc(C)c(-n2ncc(NC(=O)c3cnn(Cc4ccccc4)c3C)c2C)c1 151907522 WVMAFGHUQVXOGJ-UHFFFAOYSA-N 399.498 4.603 0 50 GJAA CCO[C@H](C)c1nc(COc2ccc(Cl)cc2-c2nc(C)no2)cs1 170613156 IBJMJQDTCZQTCT-SNVBAGLBSA-N 379.869 4.831 0 50 GJAA O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCC(c2c[nH]cn2)CC1 252536108 HPPITKMXHHCOPA-UHFFFAOYSA-N 380.423 4.753 0 50 GJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)NCCc1ccc(O)cc1 263587328 FPVSISDVYIWURY-DEOSSOPVSA-N 384.479 4.685 0 50 GJAA COc1ccc(Cl)cc1-c1cccc(C(=O)N(C)[C@H](C)c2nc(C)no2)c1 299803196 ZTMZAGQRVFPCER-GFCCVEGCSA-N 385.851 4.540 0 50 GJAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4ncon4)C3)c3ccccc3n2)cc1 426374135 GIEPVAZOIBOUBE-SFHVURJKSA-N 398.466 4.613 0 50 GJAA CC[C@@]1(O)CCCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)C1 426634364 XQZYEGXVTDDKTO-HXUWFJFHSA-N 377.406 4.750 0 50 GJAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3c(O)ccc4ccccc34)cc2)C1 426652182 ZUNBKNSOSJTCOI-QGZVFWFLSA-N 375.468 4.711 0 50 GJAA O=C(COc1ccc2ccccc2c1)NCc1ccc(-c2ccc(F)cc2)o1 1875257848 JMNACBIIDAGWOZ-UHFFFAOYSA-N 375.399 4.934 0 50 GJAA CO[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1O 1875338894 PNLMVYQVWIUGIZ-IXDGSTSKSA-N 393.405 4.708 0 50 GJAA COc1ccnc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1F 1875342849 KAFCSUXAXAQRGT-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)c2ccccc2n3CC)C1 755677 SLDGLVDRWSLZIW-HXUWFJFHSA-N 391.559 4.895 0 50 GJAA COc1ccc(-c2cc(C(=O)OCc3ccco3)c3ccccc3n2)cc1OC 1000381 DMXOKHJLBHVKEW-UHFFFAOYSA-N 389.407 4.869 0 50 GJAA biogenic Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C 1146474 BJFBRVXDTAOWNK-UHFFFAOYSA-N 380.469 4.635 0 50 GJAA CC(=O)COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 1456406 JXYCRKKJTPDPDK-UHFFFAOYSA-N 382.419 4.710 0 50 GJAA CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770232 YUGATZKZPHGUNV-CYBMUJFWSA-N 386.831 4.834 0 50 GJAA biogenic COC(=O)c1sc2cc(NC(=O)c3c(F)cccc3F)ccc2c1Cl 2792059 YVPQNEBYTRGTEJ-UHFFFAOYSA-N 381.787 4.872 0 50 GJAA COc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c(OC)c1 4801384 HADQARXHUBPUOX-UHFFFAOYSA-N 382.485 4.600 0 50 GJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)cc1 12073983 DHILJFHDRJSJFX-QHCPKHFHSA-N 382.573 5.000 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2ccc(COC)o2)CC1 12476168 IRHQADGMAUBFOR-UHFFFAOYSA-N 399.531 4.594 0 50 GJAA Cn1c(-c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 13146700 YRNYPXPYNHRXHD-UHFFFAOYSA-N 390.450 4.710 0 50 GJAA CC[C@@H]1COCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 72431245 CYAAZAUMEPGABX-OAQYLSRUSA-N 379.479 4.598 0 50 GJAA O=C(O)c1cccc([C@@H]2CCCN(Cc3cnc(C4CCCCC4)nc3)C2)c1 95373917 HQROMSTZQKEJAU-OAQYLSRUSA-N 379.504 4.602 0 50 GJAA CC1(C)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 232844594 NABBJODXDVWFDY-HXUWFJFHSA-N 379.456 4.511 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccccc2)cc1 239386721 QDFYVWRFPZHCGO-UPVQGACJSA-N 386.451 4.946 0 50 GJAA CNC(=O)c1cc(-c2ccc(C(=O)N3CCCCCCC3)cc2)ccc1Cl 426574711 KETQDSDCEODHNR-UHFFFAOYSA-N 384.907 4.773 0 50 GJAA CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 464781799 ZGJMRFILRKBGRE-CHWSQXEVSA-N 394.890 4.903 0 50 GJAA Cc1nc2cc(C(=O)N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2s1 952990844 UEIJJZXTGUBNGV-OAHLLOKOSA-N 390.512 4.576 0 50 GJAA O=C(NCc1ccc(-c2ccsc2)nc1)NC[C@H]1CCCC[C@H]1C(F)(F)F 1875319741 PORHBIKEXVSPNT-GDBMZVCRSA-N 397.466 4.978 0 50 GJAA COc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1OC 787395 IYCWKTUZCFGKMM-UHFFFAOYSA-N 381.215 4.640 0 50 GJAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)Cc1ccccc1 1193990 QMWOMVGEIXZXPZ-UHFFFAOYSA-N 376.847 4.564 0 50 GJAA CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770846 IMKMZVXFAGDCSZ-CYBMUJFWSA-N 386.831 4.834 0 50 GJAA CC(C)(C)C1CCC(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CC1 5073668 SSUFHVFVSYVUCS-WLXPTCNVSA-N 387.608 4.924 0 50 GJAA C[C@H]1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 5986509 JAMVPARARUMFRC-AWEZNQCLSA-N 382.920 4.733 0 50 GJAA O=C(NCCCn1ccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 6829865 AWALDKRAESESAJ-UHFFFAOYSA-N 390.874 4.572 0 50 GJAA COc1cccc(NC(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 11955187 KSWCMCAPCWCSKK-SFHVURJKSA-N 396.487 4.609 0 50 GJAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)/C=C/c1ccccc1Cl)CC2 14952618 FESKURDJHMXCQU-GNISGLHKSA-N 394.902 4.621 0 50 GJAA O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 20608008 XKMIXZAQDNJISG-UHFFFAOYSA-N 381.354 4.614 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cnc3ccccc3n1)CCO2 67676182 YNHNCPATIBHZRU-UHFFFAOYSA-N 383.451 4.710 0 50 GJAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)nc2)C1 67965696 VJEYXCFQADPZEH-FQEVSTJZSA-N 389.499 4.697 0 50 GJAA CCc1ccccc1NC(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 72139265 RURFAHTXHLEFME-UHFFFAOYSA-N 399.458 4.612 0 50 GJAA COc1ccc2c(C)c(C(=O)N3CCC[C@H](OCc4ccccc4)C3)oc2c1 91350677 IDWARSFCRCPOAV-IBGZPJMESA-N 379.456 4.571 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 102796936 MYCAZMDYGQEONG-UKPHBRMFSA-N 392.425 4.558 0 50 GJAA COc1ccc(N(C(=O)c2sc(NC(=O)C3CC3)cc2C)[C@H](C)C2CC2)cc1 119556967 NRLVGFLPRCRBHL-CQSZACIVSA-N 398.528 4.859 0 50 GJAA O=C(c1cc(Cc2cccc3ccccc23)no1)N1CCC[C@@H]1c1nccs1 299756570 HJALJNPMIBIKTR-LJQANCHMSA-N 389.480 4.852 0 50 GJAA Cc1nc2ccc(C(=O)N3CCCC[C@H]3CCc3cccs3)cc2nc1C 952974983 KXFBOMPPVWNUGT-SFHVURJKSA-N 379.529 4.936 0 50 GJAA CCCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)cc1Cl 952978308 QNLCWYDRWXCIMF-HNNXBMFYSA-N 376.884 4.573 0 50 GJAA CC1(C)CC[C@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1775954848 PWMDKHITLJNSPC-MRXNPFEDSA-N 393.483 4.901 0 50 GJAA O=C(CCCCc1ccccc1)N[C@@H]1CCC[C@@H](NC(=O)C2CCCCC2)C1 1857689482 QQLSUWZYIAZQPT-FGZHOGPDSA-N 384.564 4.523 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 1162993 ZQMXGPQXJJWZEF-UHFFFAOYSA-N 390.826 4.690 0 50 GJAA Cc1cc(OCn2ccc(C(=O)Nc3ccc4c(c3)CCC4)n2)ccc1Cl 2796222 PMXOWGSRBBZQDL-UHFFFAOYSA-N 381.863 4.622 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 2827620 JLFAQIPOFDETCK-UHFFFAOYSA-N 375.266 4.830 0 50 GJAA Cc1ccc(C[C@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@H](C)C(=O)O)cc1 4698216 DPGYGRXEBIESJS-HRGIBLDRSA-N 397.559 4.597 0 50 GJAA Cc1ccc(C[C@@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C)cc1 4698237 PRZOYCUDJDYFQE-KTGMGEISSA-N 379.544 4.765 0 50 GJAA CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=N)NC1=O 5102356 RBRWHLSOATUZHW-CPOQMQJTSA-N 396.512 4.797 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)c1ccco1 6704382 IFSYIDFOCPJVOY-UHFFFAOYSA-N 388.467 4.627 0 50 GJAA CC[C@H]1CCCCN1C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 12057318 QZODCCFFUVFGNE-AWEZNQCLSA-N 385.489 4.576 0 50 GJAA COc1ccc(CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)cc1O 14879839 NRVVQAMECFGWTL-QFIPXVFZSA-N 381.497 4.907 0 50 GJAA Cc1cc(CN(C)C(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)on1 15078597 OXWVQMSUROTRLW-FQEVSTJZSA-N 384.863 4.523 0 50 GJAA Cc1cccc(N2CCN(C/C(Br)=C/c3ccccc3)CC2)c1C 19632876 ULNRXNREERCZSR-HKWRFOASSA-N 385.349 4.861 0 50 GJAA CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1 33086975 ZGQBPVBKJHKKSE-GOSISDBHSA-N 376.522 4.621 0 50 GJAA CC(=O)Oc1cc2c(cc1C(C)=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 136999629 FFTDLJHPIMGYHN-YDNKQOOJSA-N 398.499 4.602 0 50 GJAA C[C@@H](NC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1csc2ccccc12 747544256 ISGPCWULOROUMU-NDHGSNPTSA-N 376.478 4.661 0 50 GJAA O=C(NC[C@@H]1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1)C1CC1 952985946 CARNQSLBBVZIPA-SFHVURJKSA-N 385.511 4.644 0 50 GJAA Cc1nc(-c2nccn2CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cn1C 1857701133 QFUYIPIWQIPLDD-QHCPKHFHSA-N 378.520 4.509 0 50 GJAA CCCOc1ccc(S(=O)(=O)Oc2cccc3cccnc23)c2ccccc12 1875319017 OGNOMUIAJPJYLS-UHFFFAOYSA-N 393.464 4.945 0 50 GJAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@](C)(c3ccccc3)CC2)c1C 1875345451 YAHCBYIIZVGKIX-ILBGXUMGSA-N 381.560 4.795 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1C 629471 MOKAIMJALHTMMQ-UHFFFAOYSA-N 391.496 4.727 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(SC(F)F)cc1 943152 WWOWNVJLGWFXMB-UHFFFAOYSA-N 392.452 4.950 0 50 GJAA Cc1cc(Cl)ccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 955461 LGGPOURZYKNAKE-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA Cc1ccc(OCc2ccccc2C(=O)NCCOc2ccccc2C)cc1 2877712 FXSUPSYUELZZLJ-UHFFFAOYSA-N 375.468 4.691 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc2C)cc1 3983356 UHRGHZYRQGYUHQ-DLBZAZTESA-N 386.517 4.901 0 50 GJAA CC1(C)C[C@@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 4027987 KSYJNXBVSXXVCQ-XMMPIXPASA-N 381.516 4.713 0 50 GJAA biogenic c1ccc(-c2cc(NCCCn3ccnc3)n3ncc(-c4ccccc4)c3n2)cc1 5206850 DDGFQNBEQNZUQE-UHFFFAOYSA-N 394.482 4.762 0 50 GJAA Cc1nc(CN(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)c[nH]1 11663977 GVJJPMVIJNVDJW-UHFFFAOYSA-N 394.607 4.726 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2nccs2)C1 12074843 BWLZUMSCBIXZQL-SFHVURJKSA-N 395.503 4.800 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)c1 12320277 YKDOXZAPSCQAEX-UHFFFAOYSA-N 385.511 4.908 0 50 GJAA COc1ccc(F)c(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 12708120 MWXJLMRMJDTSOW-OAQYLSRUSA-N 379.479 4.804 0 50 GJAA CCCCN(C(=O)c1ccccc1Cl)c1nc(C)c(C(=O)OCC)s1 13961318 OXYKLIXAHJNHLW-UHFFFAOYSA-N 380.897 4.729 0 50 GJAA Cc1ccccc1C(=O)N[C@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19800744 XQZVDHSTMZFEIM-QGZVFWFLSA-N 385.722 4.553 0 50 GJAA CCc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100915484 GDOAXVSAQMMENY-GOSISDBHSA-N 381.277 4.659 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1ccsc1 124015256 MSPNVEFLGYLJJM-HNNXBMFYSA-N 383.300 4.688 0 50 GJAA CCOc1ccc(CN(CC)Cc2sc(C)nc2C(F)(F)F)cc1OC 170595217 FCHVJQQNTSBWSP-UHFFFAOYSA-N 388.455 4.900 0 50 GJAA OCc1ccc(Cl)c(NCc2ncc(-c3ccc(Br)cc3)o2)c1 174307450 NHDBUUXRXKZJTB-UHFFFAOYSA-N 393.668 4.862 0 50 GJAA CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 192046920 ACWBRMQZAGPMKV-CQSZACIVSA-N 383.879 4.933 0 50 GJAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1 952983883 SGGBOWODKPOVCD-QGZVFWFLSA-N 379.504 4.519 0 50 GJAA CCOc1cc(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc(Cl)c1O 1472042811 XOQNXVTUTXCZCG-SNVBAGLBSA-N 396.270 4.524 0 50 GJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc2c(c1)OCCO2 706918 NLXOPPLHXOTQJP-UHFFFAOYSA-N 384.819 4.580 0 50 GJAA O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 709972 FSDGTYAXLWTVMU-LJQANCHMSA-N 382.460 4.661 0 50 GJAA biogenic,in-vitro CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 936598 LJNDZDTVFGEIRP-LOSJGSFVSA-N 399.494 4.800 0 50 GJAA biogenic O=S(=O)(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCc1cccs1 1398391 JWOSTKBESSEXCO-PKNBQFBNSA-N 379.890 4.752 0 50 GJAA CC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1 4828321 BSCVHDBTOCSQHL-LJQANCHMSA-N 384.435 4.987 0 50 GJAA O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4834238 MBQYMJRQTQOUFH-CQMMPMSNSA-N 383.492 4.762 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N[C@H](C)c4nccs4)csc3n2)cc1 11818214 DVCPSHVDFOCCBY-GFCCVEGCSA-N 382.514 4.573 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CNCc2cn(C)nc2C)cc1 11911367 SWBPGSFDQAIVBV-UHFFFAOYSA-N 386.499 4.551 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1 15074487 RBQXTFHEZSZMPS-HXUWFJFHSA-N 391.540 4.689 0 50 GJAA Cc1ccc(-c2nc(NC(=O)CSc3ccc4ccccc4n3)ns2)cc1 17355363 DTWOIEBOUFDVOG-UHFFFAOYSA-N 392.509 4.793 0 50 GJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(c2ccccc2F)CC1 19144563 KHWUEGXPRRAQCK-UHFFFAOYSA-N 385.870 4.765 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc(C(C)C)[nH]n2)n1 20293656 KVJPAZKHZZCXGP-XMMPIXPASA-N 385.515 4.866 0 50 GJAA Cc1cccc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccon3)s2)c1C 20538424 SXUUAECNECWHAA-KRWDZBQOSA-N 395.484 4.583 0 50 GJAA C[C@H](CCN1CCOc2ccc([C@H](O)c3cccnc3)cc2C1)c1ccccc1 39413067 UOKLAXQCSHMGJM-CLOONOSVSA-N 388.511 4.552 0 50 GJAA C[C@@H](C1CC1)n1nccc1NC(=O)N(Cc1cccnc1)Cc1ccsc1 95520051 WPGLTRSUAGIGRD-HNNXBMFYSA-N 381.505 4.545 0 50 GJAA CCCCCc1ccc(NC(=O)N2CCCN(Cc3ccccn3)CC2)cc1 96154155 NDOMPZXECYWUCO-UHFFFAOYSA-N 380.536 4.554 0 50 GJAA Cc1ccc(-c2ccsc2C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 135382014 WTOCKLNCCWLEIK-FQEVSTJZSA-N 379.481 4.643 0 50 GJAA CC(=O)N1C[C@@H](CCC(=O)N2CCCC3(CCCCCC3)C2)c2ccccc21 170596713 XFVRKEFYUQHCLU-HXUWFJFHSA-N 382.548 4.880 0 50 GJAA Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(C)s1 229832520 POWDVQDWJIOGGT-DZKIICNBSA-N 387.549 4.861 0 50 GJAA COc1ccc2cc(NC(=O)c3c(F)cc(C(F)(F)F)cc3F)ccc2n1 241124280 JGVVKJYYHYXXCJ-UHFFFAOYSA-N 382.288 4.793 0 50 GJAA CCS(=O)(=O)Cc1ccc(NCc2csc(-c3ccc(C)cc3)n2)cc1 449773545 KGPJIFVDKZGTFN-UHFFFAOYSA-N 386.542 4.665 0 50 GJAA CC(C)c1ccc(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)nn1 534647852 IJAFELQVEUUREH-UHFFFAOYSA-N 387.483 4.777 0 50 GJAA CC(C)C[C@@H](N)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 843205803 FUKZFVVJSHGUGM-CQSZACIVSA-N 392.381 4.989 0 50 GJAA Cc1oc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 1292025508 IPMSCTRERGXSBP-KRWDZBQOSA-N 378.447 4.650 0 50 GJAA COc1ccccc1[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3)nc2)CC1 1875309247 ANKMGPZLKOOPAM-SFHVURJKSA-N 387.483 4.562 0 50 GJAA CC(=O)N1Cc2ccc(NC(=O)NC3(c4ccccc4F)CCCCC3)cc2C1 1875404233 ALWZDTZFHRYMNF-UHFFFAOYSA-N 395.478 4.669 0 50 GJAA CC(=O)NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)CC2CCCCC2)s1 2325704963 NHASDODAIMCBEK-FQEVSTJZSA-N 398.572 4.696 0 50 GJAA CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 784769 RNEDADJWCNPQEE-HNNXBMFYSA-N 390.405 4.820 0 50 GJAA CCCCOc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OC 2844610 DBJLDQKLCKYWML-SFQUDFHCSA-N 385.847 4.872 0 50 GJAA CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2Cl)N3)C1 4555595 DYWZVLBUEKUOCL-HNNXBMFYSA-N 382.316 4.862 0 50 GJAA COc1ccc(N[C@@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)cc1 12304544 IDFYCVBXVHDPGY-QGZVFWFLSA-N 383.517 4.797 0 50 GJAA Cc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)cc1C 12578681 JEUZFPRHZYURLI-DEOSSOPVSA-N 398.497 4.710 0 50 GJAA Cn1c(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cc2ccccc21 14989480 VDZRVMZHLHYXKI-IBGZPJMESA-N 384.483 4.588 0 50 GJAA Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)s1 15065575 UTEBQTPQDGNRKN-FQEVSTJZSA-N 393.512 4.847 0 50 GJAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)c1c(C)noc1C)C2 19228833 XDOCMASPJOOESN-SFHVURJKSA-N 396.874 4.654 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccccc1C 20606424 XTWIKNBBMBEDPT-HSZRJFAPSA-N 391.515 4.942 0 50 GJAA Cc1cccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)n1 95358336 HBFWAILPDSCTKU-JOCHJYFZSA-N 375.560 4.624 0 50 GJAA Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)oc2ccc(Cl)cc12 155518097 ZKKWEQUCNNCPDR-HNNXBMFYSA-N 397.906 4.745 0 50 GJAA C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194270729 IQUSAVZMSWMJTA-MRXNPFEDSA-N 386.565 4.805 0 50 GJAA C[S@](=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1F 247246170 YKKCKAYDHVIZDQ-ZBWQRKBMSA-N 386.275 4.612 0 50 GJAA C[C@H](Sc1nnc(C2CC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 298821423 WTANRRAQGAYLMU-AWEZNQCLSA-N 378.501 4.798 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1C[C@]1(C)C(C)C)CC2 476085207 RVNCYIGEFMCCAL-ODOSVJCGSA-N 399.556 4.922 0 50 GJAA O=C(c1ccc(N2CCCC2)cc1)N1CCCC[C@@H]1CCc1cccc(O)c1 952977817 LBZQUCIXAGKKBA-JOCHJYFZSA-N 378.516 4.620 0 50 GJAA CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cncc(C(F)(F)F)c3)cc2c1 1875311131 NZQPDOUPMWSUHV-UHFFFAOYSA-N 375.394 4.809 0 50 GJAA Cc1cccc2c1CN(c1nc3ccccc3c(=NCc3ccccc3)[nH]1)CC2 2325866615 RPXHBVYGIHPGBP-UHFFFAOYSA-N 380.495 4.535 0 50 GJAA COc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1OC 637033 VYDHSPBCOOWFGV-UHFFFAOYSA-N 381.291 4.831 0 50 GJAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 1050384 HALICSYEEBPOAJ-RUZDIDTESA-N 385.463 4.571 0 50 GJAA CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cccc(OC)c2o1 2885032 DOPPWLWECUDTPA-UHFFFAOYSA-N 393.468 4.695 0 50 GJAA COc1cccc(OC)c1OCCCOc1c(C)cc(C)cc1Br 2984161 MPQKVGFOSIJYTR-UHFFFAOYSA-N 395.293 4.931 0 50 GJAA Cc1nc2sc(C(=O)Nc3ccccc3Br)c(N)c2c(C)c1C 6659339 AMQZFIHPAINHFB-UHFFFAOYSA-N 390.306 4.819 0 50 GJAA O=C(Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 11839764 AUWAFJISPUWVNS-UHFFFAOYSA-N 394.906 4.626 0 50 GJAA O=C(O)c1ccc(-c2ccc(C(=O)O)cc2C(F)(F)F)c(C(F)(F)F)c1 38345783 VOSZLKUKKWRKQZ-UHFFFAOYSA-N 378.224 4.788 0 50 GJAA C[C@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccn1 175057036 ARXQVPNOELXZMO-NSHDSACASA-N 383.839 4.545 0 50 GJAA CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2CCC(C)C)cc1 239309376 HMFLCOGHDAOZKE-UBBRYJJRSA-N 384.564 5.708 0 50 GJAA CSC1=N/C(=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)N1 263640020 TURDPPRBPFTNJG-AWNIVKPZSA-N 397.809 4.611 0 50 GJAA C[C@H]1C[C@@H](C(=O)O)C[C@@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 725240648 SZWHDEBRAXHKOF-ZSHCYNCHSA-N 379.456 4.509 0 50 GJAA Cc1ccccc1CN(C(=O)c1ccccc1N1CCOCC1)C1CCCCC1 828182330 NPXOERILCBMMOB-UHFFFAOYSA-N 392.543 4.807 0 50 GJAA Cc1c(COC(C)(C)C)cccc1NC(=O)c1c(C(F)F)nc2cnccn12 889340717 IQOPTXCFSUOOQI-UHFFFAOYSA-N 388.418 4.543 0 50 GJAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2c(F)ccc(OC(F)F)c2F)cc1C 1875263370 DEMCSMSKNVOZKL-NSHDSACASA-N 384.325 4.611 0 50 GJAA Cc1cc(CN[C@H](C)c2ccc(F)c3ccccc23)nc(N2CCCCC2)n1 2325732315 SKVZDLFUUNFITM-QGZVFWFLSA-N 378.495 4.918 0 50 GJAA Cc1cc(Cl)ccc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 2325824243 VUGDMERPWNCWRO-UHFFFAOYSA-N 393.921 4.887 0 50 GJAA Cc1ccc(C)c(-c2csc(NC(=O)CSc3ccccc3)c2C(N)=O)c1 649207 QBUJAEBFCNHCCT-UHFFFAOYSA-N 396.537 4.862 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 935588 SAEXPGJKRMDBJX-QGZVFWFLSA-N 389.451 4.936 0 50 GJAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 1117548 BHQXRJRHQPVUGC-UHFFFAOYSA-N 387.107 4.618 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 1167101 DDPPJPLBXGJDCO-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1227629 DSAHPMPJRHKFHB-UHFFFAOYSA-N 390.826 4.701 0 50 GJAA CCSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 2115840 MOLLSZPBFPJMAR-UHFFFAOYSA-N 376.525 4.904 0 50 GJAA O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1Cl 2835620 ORNALFBTQOYCMM-UHFFFAOYSA-N 379.869 4.875 0 50 GJAA CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 2984266 HVTKMUZAYKFWLV-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA CCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 3321985 OVPMILFYWWNDQU-UHFFFAOYSA-N 388.471 4.675 0 50 GJAA Cc1cc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nc2c(C)cccc12 12000134 AHKRSIQHRJYJRB-CQSZACIVSA-N 392.480 4.546 0 50 GJAA CSc1ccccc1C(=O)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 12037561 INJFHSTZOOFQKI-UHFFFAOYSA-N 389.524 4.885 0 50 GJAA O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(F)(F)F 12496555 YKIRCSCMMMEEDI-QAASZIRWSA-N 390.442 4.701 0 50 GJAA in-vitro CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 13122596 KJRKWHJEHFSIPH-UHFFFAOYSA-N 388.423 4.780 0 50 GJAA aggregator CC(=O)Nc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1 14958859 RUAGZOJGOMKHLB-DEOSSOPVSA-N 390.458 4.920 0 50 GJAA O=C(C1CCCCC1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 15072254 FFMRQOBAEJXZLH-LJQANCHMSA-N 390.518 4.606 0 50 GJAA Cc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19828052 SEOTUMPKDVMMPB-WUKNDPDISA-N 396.534 4.942 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)CCc3cnn(C)c3)c(-c3ccccc3)n2)c1 20601760 SCCAEEWQKXXNGO-UHFFFAOYSA-N 399.542 4.564 0 50 GJAA COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2onc(-c3ccccc3)c12 20605868 UELLHPTVFOZECX-UHFFFAOYSA-N 396.349 4.945 0 50 GJAA O=C(c1ccc(-c2cccc(CO)c2)nc1)N1CCC[C@@H](c2ccccc2)CC1 67757354 NDOGZLHLAXIINA-OAQYLSRUSA-N 386.495 4.651 0 50 GJAA Cn1nc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)c2c1CCCC2 95497045 GHDNIURUXRNGAP-UHFFFAOYSA-N 399.538 4.521 0 50 GJAA O=C(N[C@H](c1nccs1)C1CC1)N1CCC(Oc2ccccc2Cl)CC1 159115154 NPUIOHGCHUVLFE-KRWDZBQOSA-N 391.924 4.501 0 50 GJAA CCN1CCCC[C@H]1Cn1ccnc1-c1cnc(-c2ccccc2OC)s1 1857702411 AHVLOMSKTJPSOU-INIZCTEOSA-N 382.533 4.557 0 50 GJAA CCCOc1cc(S(=O)(=O)Oc2cccc3ccc(C)nc23)ccc1Cl 1875319286 WAUFRFHIAKGQIW-UHFFFAOYSA-N 391.876 4.753 0 50 GJAA COC(C)(C)c1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875331789 VUBWIWPCNVEGOJ-MRVPVSSYSA-N 375.650 4.507 0 50 GJAA O=C(Nc1nc(-c2nccc3ccccc23)cs1)C(F)(F)c1nccs1 2325731529 UGMQVISHRHQEMK-UHFFFAOYSA-N 388.424 4.545 0 50 GJAA CC(C)(C)CC[C@@H]1CCN(c2nnc([C@H]3CC34CCOCC4)n2CC2CC2)C1 2325839842 GUJWFXRUJUNCMQ-RTBURBONSA-N 386.584 4.625 0 50 GJAA Cc1ncn(-c2ccc(CNC[C@@](C)(O)C3CCC(C(C)C)CC3)cc2)c1C 2325842302 UDVOPGZDANWRBU-UBVWURDFSA-N 383.580 4.792 0 50 GJAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 755058 QWZIDJDSJNJVBQ-QFIPXVFZSA-N 385.463 4.808 0 50 GJAA O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 908376 SSRPJSVUUOMJAA-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA CC(C)(C)c1ccc(OC[C@@H](O)CNc2ccc(Br)cc2)cc1 1059970 GTNDEBJWPUSYOK-KRWDZBQOSA-N 378.310 4.598 0 50 GJAA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1114021 PWYVCIPNEJLUKT-FQEVSTJZSA-N 396.284 4.977 0 50 GJAA COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3ccccc3C)n2)cc1 1114173 XXLBQHJCFHCJDU-UHFFFAOYSA-N 399.450 4.902 0 50 GJAA CCc1ccccc1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O 1134259 QJWXHYGPKDYKST-UHFFFAOYSA-N 380.241 4.965 0 50 GJAA CCSc1nnc2c(n1)O[C@H](/C=C/c1ccc(OC)cc1)Nc1ccccc1-2 1211706 ZOQZFEYCPULKDH-LVMGUKCRSA-N 392.484 4.503 0 50 GJAA CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 1748243 PRZLQINXGUKHRX-OAHLLOKOSA-N 396.439 4.579 0 50 GJAA biogenic CCOCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 2735236 WMXDMBPFTSOSFZ-UHFFFAOYSA-N 390.468 4.542 0 50 GJAA CC1CCC(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)CC1 2799930 XITYFXOXVUOGOV-UHFFFAOYSA-N 385.357 4.724 0 50 GJAA O=C(NCc1cccs1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 2868133 KSASXRFBFBZYFI-UHFFFAOYSA-N 379.872 4.942 0 50 GJAA CCc1cccc(NC(=O)CCSCCC(=O)Nc2cccc(CC)c2)c1 4646798 FBBUEXMRPBLFEI-UHFFFAOYSA-N 384.545 4.902 0 50 GJAA O=c1[nH]c(O)nc2c1sc1nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 4973641 BITXGBTUPCUJBW-UHFFFAOYSA-N 397.765 4.578 0 50 GJAA O=C(Nc1cccc(Cl)c1)/C(=C\c1cccs1)NC(=O)c1cccs1 5074058 AGPAPQJVDXTRDD-RVDMUPIBSA-N 388.901 4.873 0 50 GJAA O=C(CCC(F)(F)F)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 11842720 HVISBMREAKBQES-IBGZPJMESA-N 391.433 4.779 0 50 GJAA CSCCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 12754380 HYXQRRXIJWSXAY-GOSISDBHSA-N 383.513 4.653 0 50 GJAA CC/C=C/CC(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2cccc(O)c2)s1 20455365 IVUWMVGPKYDVIE-REMYHPOOSA-N 384.501 4.726 0 50 GJAA c1ccc(-c2ncn(CC3(c4ccccc4)CCOCC3)c2-c2c[nH]cn2)cc1 65491827 NZZHTRXHJCLLIK-UHFFFAOYSA-N 384.483 4.689 0 50 GJAA Cc1nc2ccc(C(=O)NCc3ccc(-c4ccc(F)cc4)o3)cc2nc1C 95352832 LAHOBTRXUDTQIW-UHFFFAOYSA-N 375.403 4.576 0 50 GJAA Cc1ccc(CN(Cc2ccccn2)C(=O)c2cccc(-c3cn[nH]c3)c2)s1 96180758 BFGOIUOFCQBLKV-UHFFFAOYSA-N 388.496 4.684 0 50 GJAA CCc1ccc(C2=C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100915486 GDOAXVSAQMMENY-SFHVURJKSA-N 381.277 4.659 0 50 GJAA COc1ccc(Cl)cc1CN[C@@H](c1ccccc1Cl)c1nccn1C 170072134 XCOSFTUTAVKCPV-SFHVURJKSA-N 376.287 4.615 0 50 GJAA NC(=O)c1ccc(NCc2ccc(-c3ccccc3)o2)cc1N1CCCCC1 170619365 MYYQNUDJAYBZDB-UHFFFAOYSA-N 375.472 4.648 0 50 GJAA COc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)n2)cc1 248176637 ASEXFLDCJZRTEU-OHLDOZIISA-N 395.547 4.872 0 50 GJAA Cc1nccc(-c2cccc(NC(=O)N3CCCC[C@H]3c3cc(C)on3)c2)n1 299782686 DTJVOBWROTZJAP-FQEVSTJZSA-N 377.448 4.508 0 50 GJAA O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(N2CCc3ccccc32)CC1 410281201 GFQHMAIZNCQWNN-JWQCQUIFSA-N 396.534 4.997 0 50 GJAA O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@@H](c2ccccc2)c2ccccc21 436272366 SFZFPSHYQXUYHX-FQEVSTJZSA-N 397.478 4.770 0 50 GJAA COc1cccc(OCCOc2ccnc3c(OC(F)(F)F)cccc23)c1 888096265 QKDDXLQUJSJXBH-UHFFFAOYSA-N 379.334 4.600 0 50 GJAA COc1ccc(C(=O)NOCc2cccnc2)cc1-c1ccc(C(C)(C)C)cc1 2325748150 HVKDLZMNADPPJN-UHFFFAOYSA-N 390.483 4.916 0 50 GJAA O=C(NCC(F)(F)c1ccc(Cl)c(Cl)c1)N1CCCc2occc2C1 2325825609 WTQDMNHWRVYLBQ-UHFFFAOYSA-N 389.229 4.836 0 50 GJAA CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@@H]3C[C@@H]32)cc1 2325862404 SQQBEZWNFPGETP-VWQFJMCTSA-N 392.499 4.927 0 50 GJAA CCc1c(C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C(=O)OC(C)C 657183 VQETVNZHBOPWOF-UHFFFAOYSA-N 399.468 4.543 0 50 GJAA CC[C@H](C)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 904512 OIRKHSVXKJRXDG-HNNXBMFYSA-N 394.496 4.501 0 50 GJAA COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc2c1 939980 XNOQMLJLFWABDM-UHFFFAOYSA-N 380.318 4.505 0 50 GJAA biogenic CCc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 1167810 GMSHDTMPYMTVGD-UHFFFAOYSA-N 390.874 4.818 0 50 GJAA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 1305409 FVVJAFPJUZWHHW-QHCPKHFHSA-N 378.435 4.621 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)cc2)sc2c1CCCC2 1771199 WJOHQUJQBXCRKO-SDNWHVSQSA-N 399.512 4.854 0 50 GJAA CCCCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc12 3321859 WPJMBYMBGYOCOX-UHFFFAOYSA-N 388.471 4.675 0 50 GJAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2OC(F)F)cc1 5041492 FNOFCSAQZUEUPO-UHFFFAOYSA-N 380.416 4.582 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)c1cccs1 12192024 PHBZHJYZCRSXGJ-MRXNPFEDSA-N 397.569 4.514 0 50 GJAA C[C@@H](CCc1c[nH]c2ccccc12)N1CCC(CO)(Cc2ccccc2)CC1 12194617 YCDBAXACZLDYQK-FQEVSTJZSA-N 376.544 4.806 0 50 GJAA Cc1ncc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)s1 15066279 VABAEDOLIMDCMX-SFHVURJKSA-N 376.525 4.798 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@@H]1CCSC1)CC2 22023305 ZAYLDBJBXASQCG-UTKZUKDTSA-N 389.948 4.810 0 50 GJAA O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccco1 55529210 WSIICYYMFRCISJ-UHFFFAOYSA-N 395.890 4.508 0 50 GJAA CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Nc1cccc(Cl)c1 65363758 WLSUECCSWBQHLT-UHFFFAOYSA-N 377.231 4.707 0 50 GJAA COc1cc(C)ccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67773933 ZFOIAAQVHAWHTO-SFHVURJKSA-N 380.271 4.524 0 50 GJAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c12 888090519 GCIQXPTYIJUMMV-NSDYXAQKSA-N 381.520 4.989 0 50 GJAA COc1cc2c(cc1NC(=O)Oc1ccc3c(c1)OCO3)oc1ccccc12 951726660 HIXXZJVBPNTSSR-UHFFFAOYSA-N 377.352 4.934 0 50 GJAA CCCCN(Cc1sccc1C)C(=O)[C@@H](C)c1nnc(O)c2ccccc12 952976101 JLPJFIXYXKMAPV-HNNXBMFYSA-N 383.517 4.638 0 50 GJAA COc1cccc([C@@H](C)N(C)C(=O)c2ccc(NCc3ccncc3)cc2)c1 1506419200 WPWICDXJTBXSAZ-QGZVFWFLSA-N 375.472 4.536 0 50 GJAA CCc1ccc(N(C)S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1 1875323167 ZVWYYGAQIHFOCU-UHFFFAOYSA-N 397.496 4.875 0 50 GJAA COc1ccc(OC)c(NC(=O)Oc2cc(C)c(Br)c(C)c2)c1 640904 LTRNFQVLRHROMJ-UHFFFAOYSA-N 380.238 4.694 0 50 GJAA CCOc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(C)ccc3n2)cc1 653410 AMNIDWHBQWCVOA-IBGZPJMESA-N 390.483 4.518 0 50 GJAA CC[C@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 676876 DENOVYSWMHEDID-ZDUSSCGKSA-N 387.501 4.554 0 50 GJAA COc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 803506 BBQHXBZSCBWSIM-UHFFFAOYSA-N 390.464 4.989 0 50 GJAA O=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccc(Br)c1 1067411 JXOMEZRXVSGFTQ-UHFFFAOYSA-N 391.268 4.874 0 50 GJAA CC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 1166967 NHQXVDXFQARVDY-UHFFFAOYSA-N 386.455 4.561 0 50 GJAA c1ccc(CCN(Cc2ccccc2)Cc2nc(COc3ccccc3)no2)cc1 12208936 OACNCTFLGIDWLH-UHFFFAOYSA-N 399.494 4.894 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](CO)C2)c(C)s1 12578279 PDSHNUNLUUHOES-KRWDZBQOSA-N 399.535 4.561 0 50 GJAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1C 15063239 ZCJTVNHYGALHJL-FQEVSTJZSA-N 397.563 4.801 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccc(C)c3)no2)cc1OC 36621202 CEDRBZRMDQLPOJ-IBGZPJMESA-N 392.455 4.645 0 50 GJAA Fc1ccc(-c2n[nH]cc2Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1 67833481 ABIQXGKQQRKNGW-UHFFFAOYSA-N 384.418 4.518 0 50 GJAA COc1ccc2cc([C@H]3CN(Cc4cc(F)ccc4OC)CCO3)ccc2c1 71405567 FKGZIVJRIBCNLK-HSZRJFAPSA-N 381.447 4.570 0 50 GJAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71774595 ULXWEQFGOSUSAN-LJQANCHMSA-N 385.527 4.726 0 50 GJAA CCCCN1Cc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2C1 170609150 ZZSMWIJSWCYSOM-UHFFFAOYSA-N 398.450 4.622 0 50 GJAA Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCOc4ccccc43)c2)cn1 170626734 DIGLOEAWRWFTHK-JOCHJYFZSA-N 388.467 4.613 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 239231197 VCDZWOTXDLWVDZ-NEWJYFPISA-N 394.474 4.752 0 50 GJAA O=C(CCCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 263617489 NZYQTCUKDMFUBE-IBGZPJMESA-N 379.435 4.562 0 50 GJAA Clc1ccc([C@H]2Cn3nc(-c4nc(-c5cccs5)no4)cc3CO2)cc1 263617770 PNKYLIFVNFCQNB-OAHLLOKOSA-N 384.848 4.587 0 50 GJAA O=C(c1ccccc1SCc1cn2ccccc2n1)N1C[C@H]2CCCC[C@H]2C1 427139906 LJIHRMOAOJFWPL-HDICACEKSA-N 391.540 4.889 0 50 GJAA O=C1Nc2cc(Br)ccc2/C1=C/c1nc2ccc(F)cc2s1 761480640 RMGBVVYUTFGUFG-XFFZJAGNSA-N 375.222 4.691 0 50 GJAA COc1ccc(Nc2ccc(-c3nc(-c4cc(C)ccn4)no3)cc2)c(OC)c1 904944659 LABMTLXHQMFGIZ-UHFFFAOYSA-N 388.427 4.868 0 50 GJAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 754978 UJLFYDISOKCPGY-UJKMTWAASA-N 385.850 4.737 0 50 GJAA biogenic COc1ccc(CCNc2nc(-c3ccc(F)cc3F)cs2)cc1OC 848829 IPKNDIQQKMLVCV-UHFFFAOYSA-N 376.428 4.760 0 50 GJAA CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(N)=O 1114999 VJUWJSOQEKPEDA-UHFFFAOYSA-N 378.906 4.838 0 50 GJAA Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1138816 LQBRXEYCNHTYMV-ZDUSSCGKSA-N 377.271 4.602 0 50 GJAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8586630 UMSREZGRKXRYBQ-AWEZNQCLSA-N 384.476 4.609 0 50 GJAA C/C(=C\c1ccccc1)CN1CCC2(CC1)C[C@H]2C(=O)Nc1cccc(F)c1 12097576 XURPUYPPPDLKKU-RRXSNJIPSA-N 378.491 4.970 0 50 GJAA C[C@H](CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1 12383479 BZKTYZWUZLSIMQ-YATDTUEHSA-N 393.486 4.682 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccncc4)CC3)cc2)c1 12449115 BSOGQQXMOGUYNM-UHFFFAOYSA-N 385.511 4.908 0 50 GJAA Cn1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(-c2ccccc2)n1 12480173 SXJWWVSXYBAYHN-LJQANCHMSA-N 393.918 4.835 0 50 GJAA Cc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 13830044 BNTYTGAGWZNNQP-UHFFFAOYSA-N 393.478 4.841 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)c(C)n1 15067894 WYIPMPLDGMPGCH-DEOSSOPVSA-N 388.490 4.980 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)cc1 20455279 DMSYFKSAHZNHEC-DEOSSOPVSA-N 392.591 4.746 0 50 GJAA COc1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)cc1OC1CCCC1 192744763 JRUGAIRMDIIGHP-UHFFFAOYSA-N 383.492 4.889 0 50 GJAA O=C1CC[C@H](N2CCC[C@H](c3ccccc3)C2)CCN1Cc1cccc(F)c1 257372020 LKCZNYXAOVYXCY-GMAHTHKFSA-N 380.507 4.586 0 50 GJAA CC(C)[C@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 263588506 UYIKSKPFNOAAKX-FPOVZHCZSA-N 392.528 4.919 0 50 GJAA Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2CO1 263617501 OBWPQEVREOOIJN-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)NCCSC(C)(C)C)cn2)c1 299775385 JAXSAXMZXBFFQW-UHFFFAOYSA-N 375.494 4.536 0 50 GJAA Cc1ccc(-n2nc(C)c(CNCc3cn4ccc(C)cc4n3)c2Cl)c(C)c1 2325721569 LHSWQVFKDJXPED-UHFFFAOYSA-N 393.922 4.697 0 50 GJAA Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@H](O)c1ccc(C(C)C)cc1 2325749013 YWTIFLRJNYAPLC-QFIPXVFZSA-N 390.483 4.878 0 50 GJAA Cc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1SCCC2 623159 UWGNKQROYBWHKH-UHFFFAOYSA-N 386.338 4.999 0 50 GJAA Cc1sc2ncnc(Sc3nnc4cc(C)c5ccccc5n34)c2c1C 628323 OKNYFCGBUQNSDL-UHFFFAOYSA-N 377.498 4.964 0 50 GJAA COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 820678 XEWMMCNICIZVKZ-UHFFFAOYSA-N 382.463 4.883 0 50 GJAA COc1ccccc1C(=O)n1nc(-c2ccco2)nc1SCc1ccccc1 1110838 SNDYNELTXFAUBH-UHFFFAOYSA-N 391.452 4.528 0 50 GJAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 1140087 PWSDMHVCINAXPN-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA Nc1ccc2nc(SCC(=O)Nc3ccc4c5c(cccc35)CC4)sc2c1 1162075 CFIQQGABKMPEMP-UHFFFAOYSA-N 391.521 4.861 0 50 GJAA CN(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1181670 OTJPEGWZSNOIIW-UHFFFAOYSA-N 375.497 4.546 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 2745050 CONYDERWOQIYOE-UHFFFAOYSA-N 386.103 4.706 0 50 GJAA O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cc(Br)cn2)cc1 2762377 DCORISPWOFTHAM-UHFFFAOYSA-N 390.668 4.600 0 50 GJAA CC(C)(C)c1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1 2848394 AESMWUWGOZOBEZ-UHFFFAOYSA-N 388.265 4.771 0 50 GJAA O=C(CN(Cc1ccccc1)Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 4020994 RLRSODKMFBYGIN-UHFFFAOYSA-N 388.555 4.774 0 50 GJAA Cc1ccc(-n2cc(CN(C)C3CCN(C)CC3)c(-c3ccc(F)cc3)n2)cc1 11818201 LPHBGJQGNMMKGW-UHFFFAOYSA-N 392.522 4.513 0 50 GJAA CCCN1CC[C@H]2[C@H](CCC(=O)N2CC(c2ccccc2)c2ccccc2)C1 11838624 MYSXHWSYZRFXNR-VWNXMTODSA-N 376.544 4.541 0 50 GJAA CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2)cc1 19595479 XPTKEXDXFMFORE-HSZRJFAPSA-N 388.540 4.771 0 50 GJAA CCc1ncc(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 71738759 LZBGSSHFISJCSU-INIZCTEOSA-N 391.437 4.543 0 50 GJAA CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)n2)cc1 100622218 ZMSHIFMKDNYFDC-LAQRGFTBSA-N 384.501 4.619 0 50 GJAA Cc1noc(C)c1CN1CC(C)CN(Cc2c(C)noc2C)c2ccccc21 170648698 FKRXOCZKAXVCBK-UHFFFAOYSA-N 380.492 4.559 0 50 GJAA Clc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 263615111 APGPMRSHSBLBEO-GOSISDBHSA-N 378.819 4.525 0 50 GJAA Cc1csc(-c2ccc(NC(=O)N[C@H]3CCO[C@@H](c4cccnc4)C3)cc2)n1 454686442 LZCGYJLBBZCSCU-RBUKOAKNSA-N 394.500 4.555 0 50 GJAA C[C@H](CC(=O)NC[C@]1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 731366711 BDYZDVOLLODNDE-QVKFZJNVSA-N 391.433 4.539 0 50 GJAA CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 1464248546 WJBBQSRHZYSZGK-AUUYWEPGSA-N 384.907 4.842 0 50 GJAA Cc1noc2nc(-c3cccs3)cc(C(=O)NC34CCC(F)(CC3)CC4)c12 1875258673 GMJOHGRSLWZJCN-UHFFFAOYSA-N 385.464 4.804 0 50 GJAA Cc1ccc(-c2cnccn2)cc1NC(=O)CCCCC(=O)c1ccc(F)cc1 2325741452 WMMJJNGMROTKIW-UHFFFAOYSA-N 391.446 4.973 0 50 GJAA CC(C)Oc1ccc(/C=C/c2nc(-c3cc4c(nc3O)CCCC4)no2)cc1 2325864219 JCYLKDCZDUEGPC-FMIVXFBMSA-N 377.444 4.674 0 50 GJAA OC1(c2ccc(Br)cc2)CCN(Cc2cccc(Cl)c2)CC1 757903 FRHRUSKVYCZZFA-UHFFFAOYSA-N 380.713 4.586 0 50 GJAA COc1ccc(CN(CC[C@@H](c2ccc(F)cc2)c2ccco2)C(C)=O)cc1 1134936 NPFFNDGBTFGJQT-QFIPXVFZSA-N 381.447 4.998 0 50 GJAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=S)N1 1202282 MHJUSMCONGQPRU-JOCHJYFZSA-N 399.519 4.785 0 50 GJAA O=C(Nc1ccc(I)cc1C(F)(F)F)c1cccs1 2850443 OPUZNAGKGQIJCX-UHFFFAOYSA-N 397.159 4.624 0 50 GJAA CCOC(=O)C(C(=O)OCC)[C@@H](Nc1ccc2ccccc2c1)c1ccccc1 3180057 VRXGCOSVMAPACL-QFIPXVFZSA-N 391.467 4.735 0 50 GJAA Cc1ccc(S(=O)(=O)N=[S@@](C)c2ccc(OCc3ccccc3)cc2)cc1 4321874 IMUPOWQOXOCVBN-AREMUKBSSA-N 399.537 4.754 0 50 GJAA biogenic,in-vitro O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccccc2Cl)c1 4825412 MWENSEUPRAKNKU-UHFFFAOYSA-N 394.814 4.543 0 50 GJAA CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)c(F)c2)CC1 6877678 APBOSTQHOFDGRA-UHFFFAOYSA-N 387.474 4.792 0 50 GJAA CSc1ncccc1C(=O)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 11974205 FZKAAZSGCYLZNQ-HXUWFJFHSA-N 376.481 4.580 0 50 GJAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 14255194 AERJFZGHOWVPEO-UHFFFAOYSA-N 386.286 4.588 0 50 GJAA O=C(O)[C@@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 14632640 YDLDAMFCNLVPGY-QFIPXVFZSA-N 385.419 4.577 0 50 GJAA in-vitro CC(C)c1csc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)n1 15067265 FCMSPHFVVWSSDH-UHFFFAOYSA-N 389.584 4.792 0 50 GJAA COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc(OC)c1OC 36620363 LAWLBUIOBBTLIK-INIZCTEOSA-N 390.867 4.735 0 50 GJAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1 67974285 WWGYQBMZFNPGSB-SFHVURJKSA-N 384.907 4.869 0 50 GJAA Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)sc2ccc(F)cc12 155243152 RQBMLGMGDIAYHO-OAHLLOKOSA-N 397.519 4.699 0 50 GJAA CC(C)c1nc([C@H]2CCCN2C(=O)N[C@H](c2ccccc2)C2CCCC2)no1 177427956 WSAJREVJKFFVBD-RTBURBONSA-N 382.508 4.971 0 50 GJAA CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1462776972 MBKTYUAFXOQUPA-FQEVSTJZSA-N 389.879 4.889 0 50 GJAA Cc1nc2ccccn2c1CN1CCC(c2nc3cc(F)ccc3s2)CC1 2325720305 FAGXIAKPWWNIND-UHFFFAOYSA-N 380.492 4.771 0 50 GJAA Cc1c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cnn1-c1ccccc1 2325728780 XLXGISBDABYKQI-QGZVFWFLSA-N 385.467 4.590 0 50 GJAA COC(=O)c1cc(OC)c(OCc2ccccc2)c(OCc2ccccc2)c1 638966 ATEQFFGYRTYMPG-UHFFFAOYSA-N 378.424 4.640 0 50 GJAA CC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 1107681 SSBQUANYQQJWEP-UHFFFAOYSA-N 399.406 4.581 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1136140 WXNSMGZCYLCLQJ-UHFFFAOYSA-N 393.508 4.838 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCCC4)c3C)C2)cc1 1461196 IGBYVVRXPCOFFV-INIZCTEOSA-N 381.472 4.734 0 50 GJAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 2985278 CPEUYIAJTPDAOC-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA C[C@@H]1CCc2nc(NC(=O)CSc3nc4ccccc4s3)sc2C1 4472897 QKSUBEFBVUGRKO-SNVBAGLBSA-N 375.544 4.608 0 50 GJAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 4809497 BUZIXCHPDJBWCU-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA Cc1cnccc1CN(C)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 12435488 PVWHIJDEBYBHEO-NRFANRHFSA-N 394.902 4.930 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 19217728 BXAOYMISOHGHPX-CQSZACIVSA-N 383.492 4.519 0 50 GJAA Cn1cnnc1Sc1ccc(CN(Cc2cccnc2)C2CCCCCC2)o1 55325448 XNVQDRQFFNSMNY-UHFFFAOYSA-N 397.548 4.679 0 50 GJAA Cc1ccc(-c2cc(CN3CCC[C@@H](c4ccc(C(=O)O)cc4)C3)on2)cc1 95375128 FIDNLZYKFGMDEH-HXUWFJFHSA-N 376.456 4.728 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2cccc(-c3ccccc3F)c2)CC1 95527175 QAVCSIUCXFJRNZ-UHFFFAOYSA-N 377.463 4.729 0 50 GJAA C[C@H](Oc1ccccc1NCc1noc(C2CCOCC2)n1)c1ccccc1 153918916 GCURPYVGXDXIJA-INIZCTEOSA-N 379.460 4.716 0 50 GJAA O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cnc(O)c2ccccc12 253536872 ILCGJRADPAZCJC-UHFFFAOYSA-N 388.398 4.911 0 50 GJAA Cc1cccc2cc(C(=O)N(Cc3ccncc3)C[C@H](O)c3ccccc3)oc12 426361424 VCDIFUWBGGGNRH-NRFANRHFSA-N 386.451 4.512 0 50 GJAA O=C(c1ccc(-c2cccc(O)c2)cc1)N1CCCN(C2CCCCC2)CC1 426649740 RSTDHIJADSIOCL-UHFFFAOYSA-N 378.516 4.540 0 50 GJAA CC[C@@]1(O)CCCN(C(=O)c2ccc(-c3cc(F)c(C)cc3Cl)cc2)C1 584896528 FJAJIROYNVEDNA-OAQYLSRUSA-N 375.871 4.832 0 50 GJAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(-c2ccccc2)ccn1 1875311257 RSONWYBXKHNGRZ-OAQYLSRUSA-N 384.439 4.729 0 50 GJAA C=CC(=O)NC[C@@H](NC(=O)[C@H]1CC=Cc2ccccc21)c1ccc2ccccc2c1 1875385872 DGZFIKMJICMYKE-BJKOFHAPSA-N 396.490 4.500 0 50 GJAA C[C@H]1CN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)Cc2ccccc21 2325866607 RJCOONAUPABXMF-SFHVURJKSA-N 380.495 4.788 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 972712 JYVUBDBKEXDQOB-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA CSc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1125520 QOIKJBRQXSLBGF-UHFFFAOYSA-N 385.510 4.788 0 50 GJAA O=C1[C@H]2CS[C@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc12 2268092 OTPTYRJAUBCJOA-UYAOXDASSA-N 378.428 4.562 0 50 GJAA CC[C@H]1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C(=O)OC(C)C)C1 2749566 MGPNLNKDZNMOQW-ZDUSSCGKSA-N 390.505 4.685 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl 2853958 ZYJBLSZUDQLMBN-UHFFFAOYSA-N 378.259 4.873 0 50 GJAA aggregator COc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2C)c1 5094491 HDAXEWVUEVJROP-ZPHPHTNESA-N 375.291 4.757 0 50 GJAA COc1ccccc1[C@@H](C)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12439378 PSZYRADECBJLIM-CYBMUJFWSA-N 391.393 4.957 0 50 GJAA CC1(C)Cc2c(sc3ncn4nc(-c5ccc(Cl)cc5)nc4c23)C(C)(C)N1 19681688 PZXSJEGNYXBCPW-UHFFFAOYSA-N 397.935 4.819 0 50 GJAA O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1 95508825 WGSPIOZCOVZVCI-FQEVSTJZSA-N 379.460 4.550 0 50 GJAA C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2cccc(Cl)c2)o1 121452004 WPOOJKWPQSNEHF-GFCCVEGCSA-N 383.864 4.824 0 50 GJAA O=C(Nc1ccsc1Cl)N1CCOC[C@H]1c1nc2ccccc2s1 374337703 PWFXAVSDMPGOEQ-LBPRGKRZSA-N 379.894 4.617 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3[nH]c4ccc(Cl)cc4c3C)C1)CC2 1704327320 CKJRMOXSNXAILV-JOCHJYFZSA-N 380.923 4.708 0 50 GJAA Cc1csc(-c2nc([C@H]3CCCC3(C)C)n(-c3nc4ccccc4[nH]3)n2)n1 1875349235 RHSIMJDXSVPUOC-CYBMUJFWSA-N 378.505 4.869 0 50 GJAA O=C(CC/C(=C/c1ccco1)c1nc2ccccc2s1)N[C@@H]1CCC[C@H](O)C1 2325722192 OUVODXQYRZWLRI-AMCSTGOPSA-N 396.512 4.630 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3c(F)cccc3Cl)C2=O)cc1 2356166282 QREXMXGIHYEVBA-QFIPXVFZSA-N 386.898 4.949 0 50 GJAA Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2C)c1 1145518 KTTRIAVNWCNCIN-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA CCOc1cc(C=O)cc(Cl)c1OCCOc1ccc(Br)cc1 2866688 RDHVJYLLLFDFRG-UHFFFAOYSA-N 399.668 4.772 0 50 GJAA Cc1cc(NC(=O)CSc2ccccc2)cc(-c2nc3ncccc3o2)c1O 7505072 AALFDUAIOLVUII-UHFFFAOYSA-N 391.452 4.635 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@H](C)c3ccc(OC)cc3)c(C)o2)cc1 12592479 WGWGCPTVZKIVKB-OAHLLOKOSA-N 394.471 4.638 0 50 GJAA Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)n1 67714323 DDPWXJLVSZIZIN-UHFFFAOYSA-N 394.478 4.646 0 50 GJAA CCn1ccc(C(=O)NCc2cc(Cl)cc3c(C)c(-c4ccccc4)[nH]c23)n1 71753977 MAHXMRQXMLLEOS-UHFFFAOYSA-N 392.890 4.943 0 50 GJAA O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1C[C@H]2CC[C@H]1C2 101816697 WQRLENGXEMFIPM-FZMZJTMJSA-N 391.418 4.706 0 50 GJAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)c1 563830024 QIHJIGBVYWGMHK-QHCPKHFHSA-N 378.516 4.658 0 50 GJAA O=C(C[C@@H]1CCNC[C@H]1F)NCc1ccccc1-c1ccc(Cl)cc1Cl 952964433 ZNZVZPWDFTUUPE-ORAYPTAESA-N 395.305 4.614 0 50 GJAA FC1(F)CCC(CN2CCC(C3CCN(Cc4ccncc4)CC3)CC2)CC1 1857733058 SVSWKACXNQWHOT-UHFFFAOYSA-N 391.550 4.831 0 50 GJAA CCO[C@@H](C)c1nc(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cs1 1875258847 JXMGEZDMBNAZCO-GJZGRUSLSA-N 397.500 4.919 0 50 GJAA O=C(NC[C@H]1COc2ccccc21)Nc1ccc(CSc2ccccn2)cc1 1875259123 GFNOOXOJLSXGKZ-KRWDZBQOSA-N 391.496 4.672 0 50 GJAA COc1cnc(F)cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 1875343109 QPUJEYCKSAPLHW-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA Cc1nn(C)c(C)c1[C@@H](C)NCc1csc2c(Br)cccc12 2325756203 KTRRUUMXJPDRGU-SNVBAGLBSA-N 378.339 4.865 0 50 GJAA CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1 650422 FODSPSNXERLYCF-UHFFFAOYSA-N 386.908 4.658 0 50 GJAA COC(=O)c1cc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c(C)o1 1151321 KGWKQMKQJHCIKV-UHFFFAOYSA-N 390.391 4.727 0 50 GJAA biogenic Cc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2c1 4487075 WLPLICWXKMHCQL-QGZVFWFLSA-N 395.466 4.693 0 50 GJAA CSc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 4810809 LXDMBWYEKSDEGI-UHFFFAOYSA-N 382.194 4.776 0 50 GJAA Cc1cc(OCc2cccc(Br)c2)c2c3c(c(=O)oc2c1)CCC3 4865419 SLDGXMKYICYELA-UHFFFAOYSA-N 385.257 4.932 0 50 GJAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 5094685 PWIGSLKLZDUOPX-IAGOWNOFSA-N 380.469 4.793 0 50 GJAA CC(=O)c1ccc(C(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)cc1 12093375 WSIHLWMZRITVSC-VWLOTQADSA-N 396.575 4.788 0 50 GJAA CC(C)(C)CN1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 12454570 MVPYBBBFNJJALD-UHFFFAOYSA-N 380.960 4.758 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC(Cc2ccc(F)cc2)CC1 12755506 XCQDMRHCXKITDA-UHFFFAOYSA-N 378.447 4.939 0 50 GJAA CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 16677671 FYALNGCNPPIGMV-UYRXBGFRSA-N 383.469 4.721 0 50 GJAA Cc1n[nH]c(C)c1CCNCc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 20450547 ZXEFSMHVFIOWRW-UHFFFAOYSA-N 391.563 4.807 0 50 GJAA COc1c(F)cccc1C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71746223 HMJMGDPLMDVACZ-OAHLLOKOSA-N 377.406 4.598 0 50 GJAA O=C(CC[C@H]1CCCN(c2nccs2)C1)Nc1ccc(C(F)(F)F)cc1 95524091 HTDYAUALKFSIGM-CYBMUJFWSA-N 383.439 4.797 0 50 GJAA CN(Cc1cc(C2CC2)on1)C(=O)Nc1cc(F)c(C(F)(F)F)c(F)c1 96132825 UUVRFAZHKRFKPI-UHFFFAOYSA-N 375.297 4.513 0 50 GJAA CN(C(=O)Nc1c(F)cccc1Oc1ccccc1)[C@H]1CCCc2c1cnn2C 120745486 RHJDBRIQQZAUTE-SFHVURJKSA-N 394.450 4.893 0 50 GJAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 170630994 PTLFHXHFVYZXCW-SUMWQHHRSA-N 376.497 4.520 0 50 GJAA COc1cc(NC(=O)Nc2ccc(-n3cccn3)cc2C)ccc1OC(C)C 241124309 JHFDJSZWRJXBPS-UHFFFAOYSA-N 380.448 4.621 0 50 GJAA O=C(c1cc2ccccc2oc1=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 1156736 MPEPPXOMNYIXTA-JOCHJYFZSA-N 394.430 4.785 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 2918963 MHYRXDRRVNZTJZ-GOSISDBHSA-N 379.489 4.637 0 50 GJAA COc1ccc2[nH]c(Cn3cnc(-c4ccccc4)c3-c3ccc(CO)o3)cc2c1 67907840 PXZDYINHSGJKKU-UHFFFAOYSA-N 399.450 4.841 0 50 GJAA Clc1ccc([C@H]2CN(Cc3cc(-c4ccccn4)no3)CCO2)cc1Cl 71575219 JJSPFYLTKVJKAG-LJQANCHMSA-N 390.270 4.617 0 50 GJAA O=C(c1ccccc1O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71753086 DQKRVGDUXKBSOX-MRXNPFEDSA-N 377.406 4.896 0 50 GJAA CCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4[C@@H]3C)ccc21 97492506 JXEMNQNOANZDCL-HNNXBMFYSA-N 378.476 4.606 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)on1 181150426 VDOOVNVPYFXCIP-HOYKHHGWSA-N 392.499 4.630 0 50 GJAA Cc1ccccc1C1=N/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C(=O)O1 207492633 VDILOZWEEZDYRB-QNGOZBTKSA-N 383.403 4.559 0 50 GJAA CCCc1c(NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccccc1C 225462662 POAUMMOYSSSJGY-UHFFFAOYSA-N 389.547 4.605 0 50 GJAA C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1nn(Cc2ccccc2)cc1Cl 239159536 MHDYQMDKCNWRDR-JKIFEVAISA-N 376.957 4.696 0 50 GJAA Clc1cccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)c1 263619523 ZBVZRWLPOFCLER-QGZVFWFLSA-N 378.819 4.525 0 50 GJAA CCCn1cnnc1[C@H](C)NC(=O)c1cccc(-c2ccc(F)cc2Cl)c1 584884679 WKCCMGOFCAPGJM-ZDUSSCGKSA-N 386.858 4.639 0 50 GJAA O=C(NCCC[C@H]1CC1(Cl)Cl)Nc1ccc(Oc2cccnc2)cc1 844663305 FSGBAYBYLVPOSV-ZDUSSCGKSA-N 380.275 4.969 0 50 GJAA Cc1cccc2nc([C@H]3CCCN(C(=O)c4cc(-c5ccccc5)no4)C3)[nH]c12 1506407924 MIFNKGOCJFEUFK-KRWDZBQOSA-N 386.455 4.546 0 50 GJAA CC(C)c1ncc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704307486 HNCJYZSXSMWEBB-RUZDIDTESA-N 399.542 4.537 0 50 GJAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C[C@@H]2C(=O)O)cc1C 1857798470 ICMZTHGENFJPMO-OALUTQOASA-N 376.456 4.825 0 50 GJAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 1050383 HALICSYEEBPOAJ-VWLOTQADSA-N 385.463 4.571 0 50 GJAA COc1ccc([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 1054997 VPEBSNZZDPBGLN-HNNXBMFYSA-N 389.451 4.819 0 50 GJAA CCCc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3ccccc3n2)cc1 1068388 BTALZRICHRZEDX-UHFFFAOYSA-N 384.483 4.518 0 50 GJAA COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccccc2)cc1OC 1115478 UWYMVLBZHJWVGD-GOSISDBHSA-N 392.480 4.757 0 50 GJAA COc1ccc(O[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233926 DNLADCVCDRUDMH-AWEZNQCLSA-N 389.666 4.592 0 50 GJAA Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)NCc3cn(C)nc3C)c2C)c1 2867765 ZGZMVTFZHFJGRZ-UHFFFAOYSA-N 398.510 4.799 0 50 GJAA NC(=O)[C@@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 3133330 HREGLHXMYYAVSJ-IBGZPJMESA-N 384.262 4.842 0 50 GJAA CCOc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 12034465 XNOXAZNSFBTEBV-UHFFFAOYSA-N 381.497 4.914 0 50 GJAA Cc1cccc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)n1 12208243 QWECBNVSYCSLQX-HSZRJFAPSA-N 392.591 4.832 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)c2cccnc2)C1 12836305 KAKMBGFNPMHURL-FQEVSTJZSA-N 388.442 4.623 0 50 GJAA CSCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 15069578 JYAVVUBGTQEIJU-FQEVSTJZSA-N 396.556 4.592 0 50 GJAA COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 20604238 MPCHTNQTMJIOBI-UHFFFAOYSA-N 377.416 4.648 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1CCn1cccn1 20861922 RVBLEKUYFGLHRB-QGZVFWFLSA-N 384.911 4.945 0 50 GJAA Cc1cc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c2ccccc2n1 67587890 PAHXDMLNGIOCGK-UHFFFAOYSA-N 383.451 4.710 0 50 GJAA Oc1c(Br)cc(Br)cc1-c1ccn(-c2ccccc2)n1 68675290 DYZMRLKESFNYJF-UHFFFAOYSA-N 394.066 4.770 0 50 GJAA COc1cccc2ccc(N[C@H]3CCCN(CCCc4ccccc4)C3)nc12 72433308 IEEFGLNGABCWIW-NRFANRHFSA-N 375.516 4.753 0 50 GJAA CCCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 95526858 PMWYGHKBHKWKFK-LJQANCHMSA-N 384.476 4.910 0 50 GJAA Cc1cccc(N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)n1 135234241 WLHRBMGUECTGEG-UHFFFAOYSA-N 377.391 4.809 0 50 GJAA Cc1ncsc1CN(Cc1ccccc1)C1CCN(Cc2ccco2)CC1 1506395995 FVNAMUMIUPRFCF-UHFFFAOYSA-N 381.545 4.711 0 50 GJAA Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1-c1ccccc1 1875362836 VRBYVBORZMHJAW-XMMPIXPASA-N 398.506 4.535 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)c1 629955 SQDXESGTTJTEMK-KCRWFKQWSA-N 379.459 4.782 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 727051 RWJRANODJDQJIA-QGZVFWFLSA-N 390.270 4.568 0 50 GJAA CCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 1062204 QRYCSZPWZQHPOJ-UHFFFAOYSA-N 377.462 4.734 0 50 GJAA CCOc1ccc2nc(NC(=O)Cc3ccc(Br)cc3)sc2c1 1119218 ZUPHMIGTHVTKAC-UHFFFAOYSA-N 391.290 4.639 0 50 GJAA O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F 1135130 DJUXQFHWHDCXHA-UHFFFAOYSA-N 376.762 4.625 0 50 GJAA O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)cc1 2764421 LBYOOUAGPAUDRU-UHFFFAOYSA-N 383.245 4.675 0 50 GJAA FC(F)(F)c1cc(-c2ccco2)nc(-n2nc(C(F)(F)F)cc2C2CC2)n1 4078063 KKPVCCJZCXDVOE-UHFFFAOYSA-N 388.271 4.837 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C[C@H](C)O1 5696761 ZGQCDPXTQARJRN-ROUUACIJSA-N 375.468 4.668 0 50 GJAA Fc1cccc(-n2c(S)nnc2CSCc2ccc(F)cc2Cl)c1 6402330 OERNDEHVPPTPPU-UHFFFAOYSA-N 383.876 4.921 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 6690957 SVQVVJLUYGTLDM-UHFFFAOYSA-N 393.508 4.838 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)cc1 14966023 NLNVMYDUISPVOU-MRXNPFEDSA-N 386.586 4.839 0 50 GJAA COc1ccc(OC)c2c(C)cc(N3CCN(c4ccc(Cl)cc4)CC3)nc12 23550088 HBFLDNNYRUZOBZ-UHFFFAOYSA-N 397.906 4.540 0 50 GJAA Cc1ccccc1-c1cccc(N2CCC(N[C@H](C)Cc3cnccn3)CC2)c1 23581010 KQTOTZVZYDFRCT-HXUWFJFHSA-N 386.543 4.642 0 50 GJAA Cc1nc2sccn2c1CN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 55242872 UALLQIILTAZTKX-GOSISDBHSA-N 397.544 4.586 0 50 GJAA CCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1ccccc1-n1ccnc1 65385712 SCQBGQDEBUPDKD-UHFFFAOYSA-N 394.482 4.668 0 50 GJAA COc1ccc(Cl)cc1-c1cnn(C[C@H]2CNCC[C@@H]2c2ccccc2)c1 71257144 WUPVNNLNORXKEH-YLJYHZDGSA-N 381.907 4.605 0 50 GJAA CCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1 71376477 LCABLORSXVGHMA-UHFFFAOYSA-N 379.261 4.783 0 50 GJAA C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H]1c1cccs1 241774174 RNROAESHRSCKDJ-XLIONFOSSA-N 383.561 4.903 0 50 GJAA COc1ccc(NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)c(OC)c1 244811570 SGYZBWXHNYLEHR-UHFFFAOYSA-N 378.831 4.693 0 50 GJAA C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 246480655 FXRZBPNDXYPLJU-QINHECLXSA-N 395.528 4.683 0 50 GJAA CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 253396013 ASRILLBJZIBZGO-SFHVURJKSA-N 390.460 4.786 0 50 GJAA Cc1ccc(C(C)C)c(OCCNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)c1 253407835 KFOWEAWNCKHULV-UHFFFAOYSA-N 395.543 4.960 0 50 GJAA biogenic CS(C)(=O)=Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1 858985871 STHWDMJJWJRSIX-UHFFFAOYSA-N 386.492 4.657 0 50 GJAA COc1ccc(-c2nc(COc3ccc(NC(C)=O)c(F)c3F)cs2)cc1 1307344042 UJWHEVRRNVYREU-UHFFFAOYSA-N 390.411 4.634 0 50 GJAA COC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2c1-c1ccccc1CC2 648608 PHGNNBZJNPTWQA-UHFFFAOYSA-N 381.453 4.762 0 50 GJAA COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)sc2c1 951178 CMUSTTDSLJAQQZ-LLVKDONJSA-N 376.865 4.673 0 50 GJAA CCCc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)c(OC)c1 1083430 FWVFLICDPCKJFB-UHFFFAOYSA-N 380.444 4.775 0 50 GJAA COc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1181653 AYEOSROWMUTZPC-VQHVLOKHSA-N 381.284 4.528 0 50 GJAA Cc1ccc(NC(=O)C[C@@H](C(=O)O)[C@@H](C)c2ccccc2)cc1Br 1427159 NSJSFJIQHVKZSR-XJKSGUPXSA-N 390.277 4.591 0 50 GJAA CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1 2868889 BRGOAMQLLIVJRC-UHFFFAOYSA-N 379.508 4.560 0 50 GJAA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl 5907645 BUWZYNWNUYYWDY-CLAHSXSESA-N 386.304 4.641 0 50 GJAA COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 6127451 NWOGZKVGKUPAQP-URXFXBBRSA-N 386.451 4.946 0 50 GJAA COC(=O)c1ccc(C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 6235868 FYZUFIQNGPVDNP-UHFFFAOYSA-N 384.819 4.651 0 50 GJAA Cc1ccc(-c2n[nH]cc2CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1C 12305817 ANSAORGCKRRCMR-UHFFFAOYSA-N 385.515 4.949 0 50 GJAA CC(C)c1cc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n[nH]1 12434086 VUXPHQNOIHNVPE-OAHLLOKOSA-N 379.426 4.647 0 50 GJAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccn2)cc1 12582093 HCFIGUPYRCQZBD-XMMPIXPASA-N 381.479 4.913 0 50 GJAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(Br)cc1)CC(=O)N2 17079582 AOAQNUGLZDWQSD-AWEZNQCLSA-N 390.277 4.721 0 50 GJAA CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccn1-c1ncccn1 19218284 MLIQCXMJVTXPAW-QFIPXVFZSA-N 385.515 4.894 0 50 GJAA S=C(Nc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19594255 IKCLESDMCSMYBE-UHFFFAOYSA-N 387.552 4.791 0 50 GJAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1c[nH]nc1-c1cc2ccccc2o1 20452533 DQOKJQILRLFNAO-HNNXBMFYSA-N 389.455 4.787 0 50 GJAA Cc1c([C@@H](C)NCc2cccc3nonc23)cnn1-c1cccc2ccccc12 55568647 FAGNAWBLFKNJFG-OAHLLOKOSA-N 383.455 4.721 0 50 GJAA c1ccc(-c2ncn([C@H]3CCNC3)c2-c2ccc(OCc3ccccn3)cc2)cc1 65526270 FRTGLEGSPLWRKO-QFIPXVFZSA-N 396.494 4.726 0 50 GJAA COC[C@@H]1CCCN1Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 72423318 QXTLJHMCPSLZET-IBGZPJMESA-N 399.897 4.943 0 50 GJAA COC[C@@H]1CCN(Cc2cc3ccc(OC)cc3nc2-c2cccc(C)c2)C1 72435528 ODPFVPUWKDWDKJ-GOSISDBHSA-N 376.500 4.687 0 50 GJAA CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ccccc3CC(N)=O)o2)cc1 252527773 DIHJLJUPYZRMTR-UHFFFAOYSA-N 376.456 4.524 0 50 GJAA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 257347790 UKIIXHVIHAJCMP-ZYHUKDPNSA-N 388.548 4.735 0 50 GJAA CO[C@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1Cc1cc(C)no1 1529192216 SBBUKINBTLPLCF-VFNWGFHPSA-N 386.879 4.586 0 50 GJAA OCc1ccccc1C1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 2325749100 KKPGTWZICCJZEI-UHFFFAOYSA-N 388.511 4.533 0 50 GJAA Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 956604 FQWARILBNZFODG-CYBMUJFWSA-N 383.542 4.855 0 50 GJAA CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@@H](Nc2ccccc2C(=O)O)C1(C)C 2484212 LAONMPGUGGBWNR-RBUKOAKNSA-N 382.460 4.713 0 50 GJAA CC1(C)NC(=O)N(CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C1=O 2862683 YWUYOARTPQYIGP-UHFFFAOYSA-N 394.515 4.502 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@@H](C)C[C@H](C)C1 6202400 ZSPYWLCKTUGBGZ-KBPBESRZSA-N 388.558 4.876 0 50 GJAA Cc1ccc(-n2cc(CN(C)C3CCOCC3)c(-c3cccc(C)c3)n2)cc1 11843946 ZXVZRYRTJWKQOL-UHFFFAOYSA-N 375.516 4.767 0 50 GJAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)c1cccc(Cl)c1F)C2 11909954 OXENMWUDLZUEQF-OAHLLOKOSA-N 396.849 4.583 0 50 GJAA O=C(Cc1ccc(-n2cccn2)cc1)Nc1c(F)cc(F)cc1-c1ccccc1 124440411 SDULSZSMEVICFC-UHFFFAOYSA-N 389.405 4.999 0 50 GJAA CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(Br)ccc32)CC1 167691795 BBMVOIHWMUGNDA-UHFFFAOYSA-N 395.341 4.601 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2)cc1 239331343 KMZABDNLIVBLEJ-URXFXBBRSA-N 386.451 4.946 0 50 GJAA Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 252009491 QZLSVCZVDXZLAR-CMKODMSKSA-N 382.504 4.959 0 50 GJAA Fc1cc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)ccc1Cl 263618838 VTIOYCQFDODGFM-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA Fc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 263619404 YOEOBWWEZWKAQH-GOSISDBHSA-N 396.809 4.664 0 50 GJAA C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2cc(O)nc3ccccc23)CC1 499310154 ULYSMNVIXGXHGN-XMMPIXPASA-N 389.499 4.594 0 50 GJAA CC(C)(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1704347948 QLAPHZLVWWDYHG-XXBNENTESA-N 388.511 4.520 0 50 GJAA O=C(N[C@H]1CCc2cc(C(=O)O)ccc21)OCC1c2ccccc2-c2ccccc21 1857783443 PASAQZHQCAKEMN-QHCPKHFHSA-N 399.446 4.911 0 50 GJAA O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)cc1 632880 LWFIZEXIDNABMZ-UHFFFAOYSA-N 379.304 4.790 0 50 GJAA O[C@@H](Cn1ccc2ccccc21)Cn1c(Cc2ccccc2)nc2ccccc21 1076794 DTULNVHCDCVZTD-NRFANRHFSA-N 381.479 4.643 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 1108464 FBUDTOPLYIAHIB-OAHLLOKOSA-N 395.480 4.998 0 50 GJAA CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cc(C)cc3C)c(=N)oc2c1 6517590 YKVRSBXLCXMHOM-UHFFFAOYSA-N 377.488 4.936 0 50 GJAA CN(Cc1cccnc1)C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 12308442 OBXKRLWIXWXFTO-NRFANRHFSA-N 380.875 4.621 0 50 GJAA COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 22236695 ZPSIXETZDPMWDQ-LJQANCHMSA-N 382.847 4.981 0 50 GJAA Cc1ccc(F)cc1NC(=O)c1ccc([C@@H]2CCCN2Cc2c[nH]cn2)s1 23506061 AXKCEQDECMYKTQ-KRWDZBQOSA-N 384.480 4.508 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 95507051 VXNZYKWEYRVBLR-AWEZNQCLSA-N 397.466 4.793 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3C)C[C@H]12 245238956 CYLDEGQGXAFYIQ-ALDXDYIQSA-N 392.543 4.648 0 50 GJAA CC(C)c1sc(Cl)nc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 252482019 CWUPZMTZVYLHEF-CQSZACIVSA-N 388.924 4.784 0 50 GJAA COc1ccccc1COc1ccccc1-c1cc(C(=O)N2CCCC2)ccn1 426504495 OLFZLBWXJPUPPA-UHFFFAOYSA-N 388.467 4.572 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCC34CCC4)nn2-c2ccccc2)cc1 444620793 XCLSHCVLXGUKRK-UHFFFAOYSA-N 387.483 4.707 0 50 GJAA Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCc2ccc(C(C)C)cc2C1 1307912050 NTGMKFNEQDILGO-UHFFFAOYSA-N 391.559 4.715 0 50 GJAA O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1occc1Br 1875273954 MNPLIIKNBAYHEX-UHFFFAOYSA-N 396.237 4.649 0 50 GJAA CCc1ccccc1C(=O)N1CCC2(CC1)C[C@@H]2Nc1nc2cc(F)ccc2o1 1875334374 LJZWUWYHSYPANX-FQEVSTJZSA-N 393.462 4.636 0 50 GJAA CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cnc(C(=O)OC(C)(C)C)cn1 1875356120 GFJVFPKTKNORLW-PZJWPPBQSA-N 381.520 4.590 0 50 GJAA CCOc1ccc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cs2)cc1OCC 2332237491 MOXFLRSUOPTDEM-UHFFFAOYSA-N 396.512 4.976 0 50 GJAA Cc1ccc(C)c(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 971184 YXPVWTFKXWIEIU-KRWDZBQOSA-N 385.722 4.771 0 50 GJAA O=C(Nc1ccc(I)cc1Cl)c1ccccc1Cl 1218370 PPCIRIMLHMCZTH-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Fc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 2219879 MYOMQEWBGAPSLU-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1Br 2947651 OWKJAYRTVWPRJL-UHFFFAOYSA-N 391.265 4.888 0 50 GJAA Cc1ccc(C(=O)[C@H](OC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc2)cc1 4472882 DEMGGLNMUQUPEH-XMMPIXPASA-N 397.430 4.618 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 4615869 IRTWNFQPZMRXAQ-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA CCOc1ccc(Cc2n[nH]c(=S)n2-c2cccc(C)c2C)cc1OCC 6910679 UOIOCKKCEYTRKV-UHFFFAOYSA-N 383.517 4.935 0 50 GJAA Cc1oc(-c2ccccc2F)nc1CN1CCC[C@H](OCc2ccccc2)C1 12593394 GBSWNFJQTFEOPV-IBGZPJMESA-N 380.463 4.970 0 50 GJAA O=C([C@H]1CC=CCC1)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 39355495 UGNZJDQAKCMTPP-AWEZNQCLSA-N 376.378 4.601 0 50 GJAA c1ccc(CN(Cc2cccc(Oc3ncccn3)c2)Cc2nccs2)cc1 55325585 QEEMACYQXOJSJK-UHFFFAOYSA-N 388.496 4.928 0 50 GJAA C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 55549707 KHJFAENTGIZOAM-SFHVURJKSA-N 396.494 4.865 0 50 GJAA Cc1noc([C@@H](C)n2cnc(-c3ccccc3)c2-c2cc3c(cc2C)OCO3)n1 65373439 OZGVAQWEBSBIFU-CQSZACIVSA-N 388.427 4.555 0 50 GJAA Cc1cc(C(=O)Nc2nn(-c3ccc(F)cc3)c3cccc(OC(C)C)c23)no1 72408056 DSHBPLNVYWEQOW-UHFFFAOYSA-N 394.406 4.501 0 50 GJAA CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1 172855765 GEZSFUBXDMCFCH-HHHXNRCGSA-N 399.541 4.505 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(Cl)c1Cl 253426952 JKKOXPWQMKZOBN-MRXNPFEDSA-N 394.327 4.657 0 50 GJAA Cc1cc(=O)c(-c2c(-c3cc4ccccc4o3)oc3cc(C)oc(=O)c23)c(O)o1 888089370 XQEVDZOWYVKNJS-UHFFFAOYSA-N 390.347 4.742 0 50 GJAA O=C1C[C@@H](C(=O)N(CCC2=CCCCC2)Cc2ccccc2)C2(CCCC2)O1 952861445 GHVFBNPJVKTNMS-NRFANRHFSA-N 381.516 4.782 0 50 GJAA COc1cccc(-c2cc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)no2)c1 952975481 KECOYKVISYVFII-UHFFFAOYSA-N 380.488 4.573 0 50 GJAA CC(C)c1ccc(S(=O)(=O)N2CCCSC[C@H]2c2ccccc2)cc1 1464374583 POIHAGMDZAPSKZ-FQEVSTJZSA-N 375.559 4.679 0 50 GJAA CCCC[C@H]1C=CCN1C(=O)c1ccc(OC)c(Oc2cc(F)cc(CN)c2)c1 1857687288 OLEHWFAJGPGJJN-IBGZPJMESA-N 398.478 4.656 0 50 GJAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc(F)cc(C(F)(F)F)c1 1875265248 PFNIADOAOFQWBR-UHFFFAOYSA-N 392.352 4.780 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)CCO3)on1)N1CCC[C@@H]1c1cc(F)ccc1F 2325818792 ZLYZFRYEAVDJJQ-LJQANCHMSA-N 396.393 4.532 0 50 GJAA Cc1cc(=O)oc2cc(OCc3cnc(Br)s3)c(Cl)cc12 2325869391 LNMDNANPBMESES-UHFFFAOYSA-N 386.654 4.553 0 50 GJAA O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1O 642695 FWPGBARJBDOWHQ-UHFFFAOYSA-N 377.010 4.806 0 50 GJAA COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1 783650 HBEFRDUZPZURDK-UHFFFAOYSA-N 393.468 4.665 0 50 GJAA O=C(N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825893 JVMFFBBKEIOLTK-OAHLLOKOSA-N 388.678 4.826 0 50 GJAA Cn1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2c1=O 1114511 XCFPDJFGGSUUBS-UHFFFAOYSA-N 389.842 4.506 0 50 GJAA CCN(CC)CCCC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 5952384 MQKRYJIIXPRMCY-QHCPKHFHSA-N 395.547 4.628 0 50 GJAA Cc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 11933057 QLZJVVROGIOVES-LJQANCHMSA-N 380.488 4.909 0 50 GJAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 36366340 DJABWDIXJBYBJW-DHIUTWEWSA-N 395.462 4.717 0 50 GJAA CN(Cc1nccs1)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 39478952 CSUGHXPIKZBLHU-QGZVFWFLSA-N 386.904 4.683 0 50 GJAA Cc1nn(C)cc1CN1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 55073605 DAMDWQWVNTUWDT-UHFFFAOYSA-N 385.511 4.610 0 50 GJAA CSc1cccc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 96162392 SWSGQLMMUXXFKQ-LJQANCHMSA-N 386.517 4.630 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1cncc(OC)n1 169745217 WWRXJELRWGUPKZ-UHFFFAOYSA-N 399.167 4.541 0 50 GJAA C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1nc(Cc2ccc(Cl)cc2)no1 174054245 JOYAUGIDSQDFKZ-CYBMUJFWSA-N 396.878 4.762 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@H](C(C)(C)C(C)C)C[C@@H](C)C1=O 230006065 JQRKTVYMLPNBDE-GIQLZXEWSA-N 388.504 4.829 0 50 GJAA biogenic Cc1cnc(C)c(-c2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2)n1 426627818 PRWFULNCINIUPQ-HXUWFJFHSA-N 375.447 4.529 0 50 GJAA CCOc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1Cl 1704298606 AJEMEZUXJXIEFU-UHFFFAOYSA-N 391.920 4.504 0 50 GJAA C[C@@H](c1cccnc1)N(Cc1nc2cc(Cl)ccc2n1C)CC1CCOCC1 1875391397 JYUGLATWUGSWGK-INIZCTEOSA-N 398.938 4.612 0 50 GJAA CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21 724647 YLNMORFKQGQRGP-UHFFFAOYSA-N 380.469 4.624 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 1140872 GYZJCEQKRMONMJ-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2o1 1141860 UEOPIJQAIPZVJH-UHFFFAOYSA-N 381.240 4.572 0 50 GJAA O=C(COc1c(-c2ccccc2)oc2ccccc2c1=O)OCc1ccccc1 1972370 FDHCNNFAOKMTBK-UHFFFAOYSA-N 386.403 4.582 0 50 GJAA CCOc1cccc(-c2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)c1 2789170 IBUSOCODXIJJRB-UHFFFAOYSA-N 392.499 4.845 0 50 GJAA C/C=C/c1ccc(OCCOCCOc2cccc3cccnc23)c(OC)c1 2984959 BLUMOMVZXNVWPT-ZZXKWVIFSA-N 379.456 4.751 0 50 GJAA Cc1cc(C)cc(C[C@H](CC(=O)O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5010075 LAUQDWZVZQQKMK-OAHLLOKOSA-N 379.378 4.594 0 50 GJAA Fc1ccccc1CN1CCC[C@@]2(CCN(Cc3cccc4cnccc34)C2)C1 55211549 JGYHDRDIBZMICB-RUZDIDTESA-N 389.518 4.862 0 50 GJAA CCOc1ccc(CN(Cc2cccnc2NC(=O)C(C)(C)C)C2CC2)cc1 55361099 SGGGLALIZYXPML-UHFFFAOYSA-N 381.520 4.630 0 50 GJAA Cc1cccc(Cn2cnc(-c3ccccc3)c2-c2c(C)nn(C)c2Cl)n1 65393764 VPTJDKCJOMRBFG-UHFFFAOYSA-N 377.879 4.664 0 50 GJAA COc1ccc(-c2cnc(NCc3cccnc3)nc2-c2ccc(C)cc2)cn1 65398093 ZNXUNDGENWBSBO-UHFFFAOYSA-N 383.455 4.530 0 50 GJAA COc1c(Cl)cccc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767393 VQGVKQAXIFRDAM-OAQYLSRUSA-N 392.886 4.874 0 50 GJAA Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 263615853 FNZUXVUIFLUTKQ-SFHVURJKSA-N 378.819 4.525 0 50 GJAA CC(C)Oc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)cc1Cl 793527028 SDWZQLIRJSTYEG-INIZCTEOSA-N 384.911 4.618 0 50 GJAA CCN(Cc1nc(C(C)C)no1)C(=O)c1ccc(CSc2ccccn2)cc1 952967988 DSUBQRDQSZGPIN-UHFFFAOYSA-N 396.516 4.543 0 50 GJAA CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345136 SWRDSHMPDIJHOC-KZULUSFZSA-N 399.422 4.563 0 50 GJAA CCOc1cc(NC(=O)C(C)(C)C)c(OCC)cc1NC(=O)c1ccccc1 959521 NICFVLHKFITHSI-UHFFFAOYSA-N 384.476 4.721 0 50 GJAA CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 982616 PVEUIOOZJSAGMI-UHFFFAOYSA-N 390.936 4.598 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC[C@H](C)C4)c3n2)cc1 2769478 RQRBUSCZUJCZIA-AWEZNQCLSA-N 384.430 4.514 0 50 GJAA S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 2993084 KWBQSIYKHOVIFZ-UHFFFAOYSA-N 382.312 4.580 0 50 GJAA COc1ccc(C2=N/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)O2)cc1 3003467 LYVAWNVFOOOXBQ-HAHDFKILSA-N 399.446 4.927 0 50 GJAA COC[C@H]1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 12754480 QFLJMYUNTAGNBR-FQEVSTJZSA-N 375.516 4.624 0 50 GJAA Cc1cc(C)cc(CCC(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)c1 14965553 IZMYMKUBVMNCRB-SANMLTNESA-N 393.571 4.860 0 50 GJAA Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 55211449 QXVYRMMUJVNNCO-UHFFFAOYSA-N 384.439 4.684 0 50 GJAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Nc3ccccc3)CC2)C1 91493069 MDLIDVMRGHBXSQ-NRFANRHFSA-N 377.532 4.810 0 50 GJAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3cc4c(Cl)cccc4[nH]3)C2)c1 95356661 UJKPNUOKPYKTJF-HNNXBMFYSA-N 382.847 4.539 0 50 GJAA C[C@H](c1nccs1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 185747212 KOVMPFOWKRDXHP-GFCCVEGCSA-N 391.949 4.530 0 50 GJAA Cn1ccc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c21 190030784 AGDCVBGLMBJUCB-UHFFFAOYSA-N 385.414 4.532 0 50 GJAA Cn1nccc1-c1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 225451816 VBRDRSHSSJZPJQ-UHFFFAOYSA-N 399.450 4.897 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 245239018 DPBGWNOQXKBDCB-XITVERIXSA-N 376.537 4.704 0 50 GJAA biogenic O=C(NCc1ccc2c(c1)COC2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 431677546 DIRCSRLYTIRHFZ-XMMPIXPASA-N 384.479 4.574 0 50 GJAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c(C)c1 888094375 QDRZADIISJRLHO-YLJYHZDGSA-N 383.536 4.732 0 50 GJAA CCOc1c(Cl)cc(NC(=O)N2C[C@@H](N)C[C@H]2c2ccccc2)cc1Cl 952852405 KRRXRVDHFWRHBE-GUYCJALGSA-N 394.302 4.698 0 50 GJAA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnn(C)c2C(F)F)c1 1875335492 OLNZSLRRSLAEOL-UHFFFAOYSA-N 390.821 4.563 0 50 GJAA Cc1nc(C)c(C(=O)Nc2ncc3c(n2)-c2cc(Cl)ccc2S[C@@H]3C)o1 2100557625 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386.879 4.569 0 50 GJAA CCOc1cc(Br)cc(/C=C/c2cc(=O)c3ccccc3[nH]2)c1O 15016945 DQFSJKKFBWPGDW-BQYQJAHWSA-N 386.245 4.565 0 50 GJAA O[C@@](c1ccc(F)cc1)(C1CCCCC1)[C@H](CN1CCOCC1)c1ccccc1 19229381 KIELZMVDBJNNDM-JWQCQUIFSA-N 397.534 4.710 0 50 GJAA CCc1nc(C)c(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)[nH]1 67756334 GTQSBPSEXGNNFO-UHFFFAOYSA-N 397.906 4.701 0 50 GJAA Cc1cc(F)cc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)c1 91706911 OGWJNHKVUQGSEI-UHFFFAOYSA-N 380.507 4.539 0 50 GJAA CC(C)c1cccc(NC(=O)N(CCCn2ccnc2)Cc2ccncc2)c1 97675302 HIRLQQXKSJCXRK-UHFFFAOYSA-N 377.492 4.526 0 50 GJAA CC(C)(C)OC(=O)N1CCC(OCc2ccc(Br)cc2F)CC1 230550345 GNMAZLOAYZWAOE-UHFFFAOYSA-N 388.277 4.504 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)OCc1ccnc(Cl)c1 2325703428 UDKCKEUTONEFLW-GQCTYLIASA-N 384.794 4.818 0 50 GJAA CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCO1 667858 ZHXNVSMORFYOHU-SFHVURJKSA-N 395.480 4.863 0 50 GJAA O=C(c1cccc(C(=O)N2CCCc3ccccc32)c1)N1CCCc2ccccc21 830014 RZXCAHVZPVUBDD-UHFFFAOYSA-N 396.490 4.873 0 50 GJAA CCN(CC)C(=O)c1c(C)oc2cc3c(C(=O)N(CC)CC)c(C)oc3cc12 1427145 DEDOYSDBXFNGEH-UHFFFAOYSA-N 384.476 4.760 0 50 GJAA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)CCC4CCCCC4)cc1c32 1835073 YXIIPNAWTZVONZ-UHFFFAOYSA-N 381.472 4.677 0 50 GJAA Brc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H]1CO1 2559118 DGMRGIDWASSLGY-LLVKDONJSA-N 381.067 4.718 0 50 GJAA COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1NC(=O)C(C)C 2873764 CYGRKVGVIIVBQE-UHFFFAOYSA-N 384.476 4.577 0 50 GJAA COC(=O)N1CCCc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc21 6668489 LFDWWMKSFQRONF-UHFFFAOYSA-N 390.892 4.833 0 50 GJAA c1ccc(OCc2nc3ccccc3n2C2CCN(Cc3ccccn3)CC2)cc1 12126730 PLELGVXOAMWYHJ-UHFFFAOYSA-N 398.510 4.847 0 50 GJAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCCC2 17078064 FLSHMGKGISDXLJ-UHFFFAOYSA-N 382.407 4.856 0 50 GJAA O=C(N[C@@H]1CCCCCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481800 WWGXOZWLVAOLTC-RBBKRZOGSA-N 393.483 4.949 0 50 GJAA COc1ccc(CN(C)C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c2cccnc12 91381028 HBJDNFUXZFDKKA-UHFFFAOYSA-N 387.483 4.922 0 50 GJAA O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 95519184 GHGQRHYWJVWHAX-OAQYLSRUSA-N 385.511 4.980 0 50 GJAA CCc1noc(-c2cccc(NC(=O)N3CCCC[C@H]3c3nccs3)c2)n1 96136619 OPHPEVPCLUAKMQ-HNNXBMFYSA-N 383.477 4.515 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(C2CC2)cc1 241124219 JGLYDKTVWIQPOY-UHFFFAOYSA-N 381.863 4.516 0 50 GJAA COc1ccc(-c2cc(O)nc(Nc3nc(-c4ccccc4)cs3)n2)cc1 253537466 BASFIJTVSWHLHS-UHFFFAOYSA-N 376.441 4.725 0 50 GJAA Cc1nn2c(nc(Oc3cccc(-n4ccnc4)c3)c3ccccc32)c1Cl 2325734433 UWJHOLRLALXUKF-UHFFFAOYSA-N 375.819 4.822 0 50 GJAA O=C(NCCCOc1ccncc1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 2325740177 GHYSAVPQUFOHLC-UHFFFAOYSA-N 398.850 4.513 0 50 GJAA N[C@H](CCNC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)Cc1ccccc1 2325866411 JWFQMMMLCXOULC-FCEUIQTBSA-N 399.966 4.626 0 50 GJAA Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2ccc(-c3ccccn3)cc2)cc1 2356152695 WPLJSUDEQSKGOW-DQEYMECFSA-N 397.522 4.546 0 50 GJAA CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc2C1 643850 HPILHPJBTCJLPF-UHFFFAOYSA-N 384.888 4.918 0 50 GJAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 1137189 MWGWNPDLRQYJRE-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA COC(=O)c1c(C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc12 2289379 FMUGTHCIEJIJOV-UHFFFAOYSA-N 386.272 4.802 0 50 GJAA biogenic CCCCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 2844614 PSDQAOSEHCFAAV-SFQUDFHCSA-N 385.847 4.872 0 50 GJAA Cc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)cc(-c3cccnc3)nc12 2867501 FPSJHBRLSWYKCZ-UHFFFAOYSA-N 387.468 4.586 0 50 GJAA CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC 5857871 ALBKMJDFBZVHAK-UHFFFAOYSA-N 390.439 4.618 0 50 GJAA in-vitro Cc1ccc2[nH]/c(=N/C(=O)c3c(-c4ccccc4Cl)noc3C)sc2c1 9108677 YUIQTQHKJPXIRS-UHFFFAOYSA-N 383.860 4.896 0 50 GJAA CN(Cc1ccco1)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12715330 YROHGKAOEWGSDX-GOSISDBHSA-N 380.454 4.685 0 50 GJAA O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCOCC2)cc1 20638315 NIFXGTWASPTNST-UHFFFAOYSA-N 388.467 4.563 0 50 GJAA ON1C(c2ccc(Br)cc2F)=NNc2cc(Cl)c(Cl)cc21 25760619 VOKWKKKAKLKSNQ-UHFFFAOYSA-N 391.027 4.878 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccccc1F)CCO2 67770451 BRJNNEATWNZLIM-UHFFFAOYSA-N 377.415 4.542 0 50 GJAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)c1 72129766 ZWCTWUXEHNGUKV-OAHLLOKOSA-N 379.426 4.811 0 50 GJAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 110046374 RMQSGXKESXUHTE-YWZLYKJASA-N 386.499 4.560 0 50 GJAA COc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3C(F)(F)F)n2)cc1 121769059 MHFBAVMLOZIKCM-UHFFFAOYSA-N 397.353 4.624 0 50 GJAA CCc1cc(O)ccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 481554854 ZGSBAQDZRRTPDU-UHFFFAOYSA-N 381.453 4.707 0 50 GJAA CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)c(C)nn1-c1ccccc1 630693 VWVQQRIASMKGML-UHFFFAOYSA-N 379.460 4.604 0 50 GJAA COc1ccccc1OC(=O)COc1ccc2ccccc2c1Br 673897 YJRQGJRKFIWVEM-UHFFFAOYSA-N 387.229 4.595 0 50 GJAA O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1 1506654 ZFCSVJKNKWZTHU-UHFFFAOYSA-N 380.241 4.932 0 50 GJAA O=C(COc1ccc(Cl)cc1Br)Nc1cccc2c1CCCC2 2845629 JZQKVGQZYQORDS-UHFFFAOYSA-N 394.696 4.999 0 50 GJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)o1 4030232 LQWWETCIOQPMTO-UHFFFAOYSA-N 398.216 4.806 0 50 GJAA O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC2CCCC2)cc1 4694316 PNLRZNSTMBNSOY-LJQANCHMSA-N 387.863 4.607 0 50 GJAA CCCCc1ccc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4821094 WWPFGWPMNFIADV-QNHAZURESA-N 382.548 4.689 0 50 GJAA CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 5483612 RVMWZMIRKGFHGC-UHFFFAOYSA-N 387.892 4.774 0 50 GJAA CCc1nc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)c(C)[nH]1 19228000 OMSVBOIKSKLDBP-UHFFFAOYSA-N 385.511 4.772 0 50 GJAA CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cn1 20605425 NKUCISVKSMMWJR-UHFFFAOYSA-N 399.420 4.999 0 50 GJAA Cc1cc(N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)nc2ccccc12 72480813 JLUONTHXDCMRHB-VWLOTQADSA-N 391.559 4.942 0 50 GJAA CCCc1nc(CNC(=O)c2cccc(-c3c(C)nn(CC)c3C)c2)cs1 299799180 VPSMLSZPYJQERL-UHFFFAOYSA-N 382.533 4.526 0 50 GJAA CC(C)(C)OC(=O)N1CCC(CNCc2ccc(Cl)c3cccnc23)CC1 378968666 XTRKKBJTASGYDK-UHFFFAOYSA-N 389.927 4.625 0 50 GJAA COc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1 526056080 PFJWTAUQDMBXQI-FQEVSTJZSA-N 396.487 4.700 0 50 GJAA O=C(c1cnn(Cc2ccccc2)c1)N1CCCC[C@@H]1CCc1cccs1 952968134 AXHFDPVEHMNFMV-HXUWFJFHSA-N 379.529 4.620 0 50 GJAA CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1004046 ZNTVFPFVOXJHCK-UHFFFAOYSA-N 394.515 4.890 0 50 GJAA Cc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 1068166 MMBDDPZYULEBQS-UHFFFAOYSA-N 381.379 4.501 0 50 GJAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 1192337 ZOTZAFUATLXISH-MOSHPQCFSA-N 391.373 4.888 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2 2089582 KHRDUFYTQHZUFG-MRXNPFEDSA-N 387.501 4.598 0 50 GJAA Brc1ccc(-c2noc(COc3ccc4c(c3)CCCC4)n2)cc1 2877502 AWMNTOBSFYXQNK-UHFFFAOYSA-N 385.261 4.957 0 50 GJAA CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 5563552 XVPLBBRIMPKTDM-UHFFFAOYSA-N 386.908 4.979 0 50 GJAA COc1ccc(F)c(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1 11911982 OIZXDGOWNKGQCB-UHFFFAOYSA-N 379.479 4.912 0 50 GJAA CN(CCCC1CCCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1 12459328 HKIJOXXCFDEUTL-UHFFFAOYSA-N 378.419 4.574 0 50 GJAA O=C(CCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 22875278 LNLSMCXSDQPXEF-UHFFFAOYSA-N 384.523 4.744 0 50 GJAA O=C(O)CCCCCCOc1cc(Br)cc(Br)c1 97756629 MHFSWIIJPXFTQT-UHFFFAOYSA-N 380.076 4.626 0 50 GJAA Cc1ccc([C@@H]2CCCCN2C(=O)NCc2nnc(-c3ccccc3)s2)o1 153238208 AQDGCZIHWTUUQD-INIZCTEOSA-N 382.489 4.543 0 50 GJAA Cc1nc([C@@H](C)N2CCN(C(=O)C(C)(C)C)CC2)oc1-c1ccc(Cl)cc1 155432440 AOVPYCBBBGSBPS-OAHLLOKOSA-N 389.927 4.555 0 50 GJAA Cc1noc(C)c1[C@@H](C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 170626606 DNNAXRUEYFWVMZ-SECBINFHSA-N 395.406 4.925 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C(C)C)[C@H](c3ccco3)C2=C1O 409413754 HEPAUMLGVUSALM-HXUWFJFHSA-N 375.428 4.665 0 50 GJAA Oc1nc(-c2ccccc2)nc2c1CCC21CCN(Cc2ccc(Cl)o2)CC1 2100477152 KIJOJCBIWLZKDW-UHFFFAOYSA-N 395.890 4.576 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3CC3CCC(F)(F)CC3)C2=O)cc1 2356150239 SMNXQYYOMRHCIO-NRFANRHFSA-N 376.491 4.782 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccccc2)cc1 1142990 OHPFOTJQKBFFLN-UHFFFAOYSA-N 394.858 4.531 0 50 GJAA CCC(C)(C)c1ccc(OCCCC(=O)Nn2cnnc2)c(C(C)(C)CC)c1 2839880 RDYOEWWAYCNVQS-UHFFFAOYSA-N 386.540 4.583 0 50 GJAA COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)c1 2848503 LIDDCWBINVRJTB-HXUWFJFHSA-N 396.284 4.977 0 50 GJAA CCN(CC)C(=O)C(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 2876190 YPBSORRBDZIPFV-UHFFFAOYSA-N 386.854 4.533 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C 5093862 QWFFPSJMGRVWFV-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA COc1cc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)ccc1F 11815250 XKHSWQMQYSKYGO-LBPRGKRZSA-N 375.469 4.756 0 50 GJAA Cc1nn(C)cc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 12072911 NPYSDQPBVSCUTI-NRFANRHFSA-N 381.907 4.563 0 50 GJAA CN(Cc1cccc2cnccc12)c1nncc(-c2cccc(C(F)(F)F)c2)n1 12715944 PARHKWFCWFDFEG-UHFFFAOYSA-N 395.388 4.742 0 50 GJAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2cccc(SC)c2)C1 14955718 ZDNIQJPONOTVLR-HNNXBMFYSA-N 384.501 4.544 0 50 GJAA CCc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 15859683 AUFLYSXEYNPQRN-LJQANCHMSA-N 395.528 4.532 0 50 GJAA CCNc1ncc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 71753416 KKUGLTANKPNSLD-INIZCTEOSA-N 392.469 4.772 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H](OC)C2)cc1 72407266 RGHFPOIXVQMGBH-JOCHJYFZSA-N 376.500 4.830 0 50 GJAA CC1(C)CN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC[C@H]1C(F)(F)F 191992867 WPUDMSCVELGVAB-CYBMUJFWSA-N 378.778 4.511 0 50 GJAA Fc1cccc(OCc2noc([C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 225572610 YCCWWDFFBFMJNF-KSSFIOAISA-N 392.789 4.825 0 50 GJAA Cn1cc(-c2nnc(-c3ccccc3Oc3ccc(Cl)cc3Cl)o2)nn1 1875296265 NITOMCXNMBSIAB-UHFFFAOYSA-N 388.214 4.631 0 50 GJAA COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(-c2nnc(C(F)F)o2)cc1 2325805064 NCNDPVNCCXLEFX-LBPRGKRZSA-N 387.386 4.516 0 50 GJAA CCn1c(C)[n+](CCOc2ccccc2)c2cc(Cl)c(Br)cc21 639036 GFKJJKPKZAYQSP-UHFFFAOYSA-N 394.720 4.752 0 50 GJAA O=C(Nc1nnc(C(F)(F)F)s1)/C(=C/c1ccccc1)c1ccccc1 1126767 DDRIAGBAITVVKA-SDNWHVSQSA-N 375.375 4.736 0 50 GJAA O=C(Cc1ccccc1)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 1446749 HSPCTYWVZVPZHV-OAHLLOKOSA-N 392.113 4.807 0 50 GJAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(OCc2ccccc2F)c1 2850087 SJYJWSPBHHJGOL-MTJSOVHGSA-N 391.373 4.888 0 50 GJAA Cc1ccc(CNC(=S)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 2853478 LSTMVTCHFMVMQY-UHFFFAOYSA-N 378.545 4.652 0 50 GJAA O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 2982248 VOLLOIMVIHLSLP-UHFFFAOYSA-N 376.762 4.625 0 50 GJAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 12761342 HNYFHHKQXMJFIL-HNNXBMFYSA-N 386.879 4.784 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)c1 15069404 FTSBAYXBZOFUDB-QGZVFWFLSA-N 395.478 4.584 0 50 GJAA Fc1ccccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 17076810 AEOMROZKICIIIV-AWEZNQCLSA-N 375.494 4.617 0 50 GJAA COc1ccc(-c2nc(CN3CCC([C@H](O)CC(C)C)CC3)c(C)o2)cc1C 19799984 MDVJNRMXFNGERI-OAQYLSRUSA-N 386.536 4.586 0 50 GJAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2nc(C(C)C)cs2)C1 20513615 VSWBCVLNKXGGDX-AWEZNQCLSA-N 376.497 4.509 0 50 GJAA Cn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 20603839 AMUAMZLHZLTLSY-UHFFFAOYSA-N 393.434 4.974 0 50 GJAA Cc1ccc(CCn2cnc(-c3ccccc3)c2-c2cccc(OCCO)c2)o1 65406413 QCEDMUKJBADALM-UHFFFAOYSA-N 388.467 4.732 0 50 GJAA O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@H]1c1cccc(F)c1 91997771 CNJBUPJADDQAGC-QFIPXVFZSA-N 377.463 4.828 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2C3CC4CC(C3)CC2C4)c1 100740732 UESZGMALBGUBGC-OWMGTTOYSA-N 385.507 4.669 0 50 GJAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1nccs1 175380713 KJBPQOHGACINHW-CQSZACIVSA-N 391.345 4.507 0 50 GJAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1nccs1 175380728 KJBPQOHGACINHW-AWEZNQCLSA-N 391.345 4.507 0 50 GJAA Cc1nc2ncnn2c(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1C 225462122 NVBOBAFPOJLCAE-UHFFFAOYSA-N 390.394 4.627 0 50 GJAA CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)cc1 252485314 GQZJMXFDDDZNJL-QFIPXVFZSA-N 391.515 4.854 0 50 GJAA CC(C)c1cccc(-c2ccc(C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)o2)c1 252540573 PNECGKXYTRASFG-IBGZPJMESA-N 388.467 4.926 0 50 GJAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCC[C@H]1CCc1cccs1 952872177 IUCCKJCNSSCTFV-SFHVURJKSA-N 392.528 4.536 0 50 GJAA Cc1cccc(OC2CN(C(=O)c3ccccc3NCc3cccs3)C2)c1 1506413487 ITUVJMRJWKGTDY-UHFFFAOYSA-N 378.497 4.572 0 50 GJAA O=C(O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1 1775956373 TZXXQBCSEALGNW-INIZCTEOSA-N 391.467 4.655 0 50 GJAA C[C@@H](NC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21)c1ccccc1 1875253057 BMHBTHBVXOKGTQ-GOSISDBHSA-N 398.506 4.872 0 50 GJAA CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 640928 GSRHNJFELXCFIG-JOCHJYFZSA-N 388.467 4.969 0 50 GJAA O=C1C[C@H](c2cccc(I)c2)c2ccc3ccccc3c2N1 727561 XCVVUYLDLWXNCR-QGZVFWFLSA-N 399.231 4.919 0 50 GJAA Cc1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 1174513 FZOGMIULPUVPDY-UHFFFAOYSA-N 385.514 4.519 0 50 GJAA aggregator Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl 1182463 OOJYWOWOGKGYIU-UHFFFAOYSA-N 386.648 4.876 0 50 GJAA COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 2859632 YGDVTAHJGKUURS-SFHVURJKSA-N 390.483 4.564 0 50 GJAA Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 12165966 DDSPAMFELOXMGD-LJQANCHMSA-N 389.474 4.535 0 50 GJAA Cc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)s1 12319204 MNXQQSHABPXHHJ-UHFFFAOYSA-N 383.517 4.596 0 50 GJAA O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1C[C@H]2C=C[C@@H]1C2 43641886 FBKHDHFXFPTYQU-DECQCQTCSA-N 385.916 4.700 0 50 GJAA CCc1ncc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 71738713 QNLLHELYKPZGGF-MRXNPFEDSA-N 377.454 4.903 0 50 GJAA COc1ccc2cc(CN3CCC[C@H](CO)C3)c(-c3ccc(Cl)cc3)nc2c1 72431178 TZCCAODJDXDSLQ-INIZCTEOSA-N 396.918 4.768 0 50 GJAA COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 225496168 QVYADPRRXRJNHA-MRXNPFEDSA-N 377.444 4.573 0 50 GJAA O=C(NCc1noc(-c2cccs2)n1)N(c1ccccc1)c1ccccc1 225572451 MJXRUUNJUNUKAN-UHFFFAOYSA-N 376.441 4.846 0 50 GJAA O=C1C[C@H](c2ccc3c(c2)OCO3)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585883 NNUXRYYFELGESV-GOSISDBHSA-N 396.446 4.892 0 50 GJAA biogenic CC[C@]1(O)CCCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)C1 426634363 XQZYEGXVTDDKTO-FQEVSTJZSA-N 377.406 4.750 0 50 GJAA Cc1nccn1Cc1ccccc1NC(=O)c1csc(-c2cccs2)n1 952985372 SCDZHWMWGNHRNY-UHFFFAOYSA-N 380.498 4.677 0 50 GJAA COc1cccc([C@@H]2CCN(Cc3cccc(F)c3C(F)(F)F)C2)c1OC 1529150870 AWAWMFSBLAESHE-CYBMUJFWSA-N 383.385 4.851 0 50 GJAA CNC(=O)[C@@]1(CC=C(C)C)C[C@H]2CC[C@@H]1N2Cc1ccc(-c2ccccn2)cc1 1704327369 SCMVYMQFXUYFAM-VTZPFEBOSA-N 389.543 4.574 0 50 GJAA CC1=C[C@@H]2C(C)(C)C[C@H](O)C[C@@]2(C)C[C@H]1COc1ccc2ccc(=O)oc2c1 1848443775 HFRDLQOAYZVZNK-HVDAFXPBSA-N 382.500 4.941 0 50 GJAA CC(C)N(Cc1cc(O)cc(C(F)(F)F)c1)Cc1nnc(-c2ccccc2)o1 1875260259 YMTJPGOLEKGQBL-UHFFFAOYSA-N 391.393 4.872 0 50 GJAA CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc23)c1 1004471 BZYIKCBHSCRHHM-UHFFFAOYSA-N 391.496 4.705 0 50 GJAA Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1 1114190 ARRJDAAWXQRBKY-UHFFFAOYSA-N 399.406 4.693 0 50 GJAA COc1ccc(N[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233919 FRMJRAVIBZXOMF-AWEZNQCLSA-N 388.682 4.625 0 50 GJAA CCCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 2351651 GTAGQTNTZUWENI-UHFFFAOYSA-N 384.505 4.631 0 50 GJAA O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1ccc(Cl)cc1 3105978 DATXOCUHTOLDJB-UHFFFAOYSA-N 385.074 4.878 0 50 GJAA CCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O 4755084 CQXNWDSCQVCUKC-VQHVLOKHSA-N 386.245 4.978 0 50 GJAA COc1cccc(CN[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1OC 14964456 BRMSJEYTOKKXSH-QGZVFWFLSA-N 383.536 4.595 0 50 GJAA CN(Cc1c[nH]c2ccccc12)CC1CCN(CCc2cccc(F)c2)CC1 15073476 RJYYYSMAYFTGOS-UHFFFAOYSA-N 379.523 4.694 0 50 GJAA FC(F)(F)c1cccc(N2CCN(Cc3ccccc3Br)CC2)c1 55543151 MBCBNERWIQOUQT-UHFFFAOYSA-N 399.254 4.790 0 50 GJAA CCc1ccc([C@H]2CCCCN2Cc2nnc(C(=O)Nc3ccccc3)s2)o1 182504074 BAGFABKVEAPVMN-QGZVFWFLSA-N 396.516 4.673 0 50 GJAA CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)n1 249680105 AGPNLNWYOUSSOT-FOVBHJOSSA-N 378.516 4.519 0 50 GJAA COc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(OC)c1OC 938985 IVDNQYNKVBVADO-UHFFFAOYSA-N 375.509 4.820 0 50 GJAA CC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 1001808 PEHPJSBRMDEWJS-UHFFFAOYSA-N 398.256 4.822 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 1171165 OUFOLLKVSGYXNR-LBPRGKRZSA-N 390.936 4.904 0 50 GJAA CCCCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 1801379 NQSFQMQVGZOGJE-UHFFFAOYSA-N 375.852 4.623 0 50 GJAA Brc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 4538896 BCYJYZVJLMYZAH-IZZDOVSWSA-N 383.274 4.786 0 50 GJAA CCOc1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC 4573170 BHFUGPWHCXEANN-MRXNPFEDSA-N 385.504 4.936 0 50 GJAA CCOc1cc2c(cc1OCC)[C@H](c1c(OC)ccc3ccccc13)NCC2 4577637 RYLYYGAHLZABIT-XMMPIXPASA-N 377.484 4.881 0 50 GJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c(C)c1 9237412 CEXRIHBZLGWUBM-UHFFFAOYSA-N 382.489 4.995 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c1 11840831 KMPQXFMDYWIYDU-UHFFFAOYSA-N 388.467 4.746 0 50 GJAA CN(CC[C@H]1CCCCO1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 12439201 GYDZRPVFRUQFET-OAQYLSRUSA-N 391.515 4.641 0 50 GJAA COc1cccc(-c2nc3ccc(C(=O)N(C)CC[C@H]4CCCCO4)cc3o2)c1 12572282 PQSVYQUXVKNHRT-GOSISDBHSA-N 394.471 4.535 0 50 GJAA CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21 20605644 KGDKICWCXGAQHD-UHFFFAOYSA-N 379.407 4.777 0 50 GJAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@H]1CCc1cccc(O)c1 77356060 YCLPYXIGJBZULD-IBGZPJMESA-N 376.456 4.675 0 50 GJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 95361265 NLKWFIDCGBCCMW-OAHLLOKOSA-N 377.891 4.804 0 50 GJAA Cc1nc(-c2ccccc2)sc1NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 184300549 YIHSEYZMSYXYIN-UHFFFAOYSA-N 395.532 4.566 0 50 GJAA COc1cccc(C)c1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 195055588 OPOUBIVOSOCXPC-OAHLLOKOSA-N 385.533 4.750 0 50 GJAA Clc1ccc2oc(-c3ccccc3)cc(=Nc3nc4ccccc4s3)c2c1 238924286 RPVXTPZAYFIQNS-UHFFFAOYSA-N 388.879 6.595 0 50 GJAA COc1ccc([C@@H]2CCCN2C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1 248322546 WOFJVSWVXNJSSG-CNDZOEFASA-N 389.923 4.624 0 50 GJAA Cc1ccc(-c2ncccc2NC(=O)Nc2cnn(C3CCOCC3)c2C)s1 297623147 BHVAWBCOMCNWJY-UHFFFAOYSA-N 397.504 4.619 0 50 GJAA O=C(Nc1ccc(Cl)cc1Nc1ccccc1)c1cc(O)nc(C2CC2)n1 1467616944 JRMQHQIMRXYSEB-UHFFFAOYSA-N 380.835 4.709 0 50 GJAA O=C(COc1ccc2ccccc2c1Br)N1CCCc2ccccc21 671277 XGEHPKQGZGQEOA-UHFFFAOYSA-N 396.284 4.961 0 50 GJAA O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1 671630 IGRFGAUCRYCZKL-UHFFFAOYSA-N 386.407 4.968 0 50 GJAA COc1cc(-c2nc3sc(-c4ccc(O)c(OC)c4)nc3s2)ccc1O 1082925 DKUNOJAKNUTPPS-UHFFFAOYSA-N 386.454 4.515 0 50 GJAA CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3nc2C1 1151830 IPCPKYPXYRGGCE-UHFFFAOYSA-N 399.903 4.939 0 50 GJAA COc1c(C)cc(Br)cc1C(=O)Nc1nc2ccc(F)cc2s1 2861652 WQLSZMRCQQQVCJ-UHFFFAOYSA-N 395.253 4.767 0 50 GJAA CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 2906485 VNHVAMUJNSCTRL-HNNXBMFYSA-N 386.879 4.511 0 50 GJAA O[C@H](CNC1CCCCCC1)COc1ccc2cc(Br)ccc2c1 4483378 YKSVGXZJEWABHY-LJQANCHMSA-N 392.337 4.654 0 50 GJAA CCOc1ccc(OCCCOc2ccc(I)cc2)cc1 4701933 IPJWDCDVOIOAGA-UHFFFAOYSA-N 398.240 4.538 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 12057317 QZODCCFFUVFGNE-CQSZACIVSA-N 385.489 4.576 0 50 GJAA CSc1ncccc1C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 12303437 SALZZJTVPVHPNY-IBGZPJMESA-N 390.508 4.692 0 50 GJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)cc1 12572743 VEMOFOQDDSIDKQ-NRFANRHFSA-N 396.497 4.967 0 50 GJAA CN(CCCC(F)(F)F)CC1CCN(CCc2ccc(Cl)cc2)CC1 12716441 DLUGLFFCZREPAP-UHFFFAOYSA-N 376.894 4.869 0 50 GJAA O=C(NCc1ccccc1)[C@@H]1CC12CCN(Cc1cccc3ccccc13)CC2 14879414 CTNPGCIWMJAERS-DEOSSOPVSA-N 384.523 4.758 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 18250121 ZVURCOQESIYDHP-HXUWFJFHSA-N 393.556 4.724 0 50 GJAA Cc1nc(CCN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 91665392 OLBMAMISYRVOEC-OAHLLOKOSA-N 382.451 4.608 0 50 GJAA CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95630166 BCFOJZGWYJDLQJ-NRFANRHFSA-N 381.472 4.805 0 50 GJAA COc1ccc(-c2nc(C(=O)N3CCCSc4ccccc43)c(C)o2)cc1 118194064 RXNWQWRVMMZBSZ-UHFFFAOYSA-N 380.469 4.801 0 50 GJAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 153903992 UDZDVRIBFDWNGX-UHFFFAOYSA-N 392.425 4.903 0 50 GJAA Cc1ccccc1-c1nc(CNCc2ccc(Cl)c(Br)c2)no1 170085077 FBJHEVXZGIECDR-UHFFFAOYSA-N 392.684 4.751 0 50 GJAA CCCn1ccnc1CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 170613649 MYVZLMOTIKASCU-SJORKVTESA-N 393.453 4.507 0 50 GJAA Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 225416519 VUKRLHHGVGUXJL-DLBZAZTESA-N 396.288 4.890 0 50 GJAA Cc1cnc(C2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)CC2)s1 225463779 QZGSKYVFYWDXAT-GFCCVEGCSA-N 399.343 4.932 0 50 GJAA CC(C)(C)[C@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 334162871 SSEUSAYWDUPCJK-GOSISDBHSA-N 399.878 4.672 0 50 GJAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1C[C@@H](C(C)C)c2ccccc21 1436119030 HVLSGJBJQDLJCD-INIZCTEOSA-N 381.426 4.859 0 50 GJAA O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 1440506764 BWZLEDZUMBLGGM-UHFFFAOYSA-N 393.796 4.721 0 50 GJAA Cc1c(OCC(=O)NC2CCCCC2)ccc2c(-c3ccccc3)cc(=O)oc12 950204 FBSJUCLZMJWOGY-UHFFFAOYSA-N 391.467 4.596 0 50 GJAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Br)c1 1143797 YLBNHXCHMKYVOV-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA CCC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 2079310 MHPQECPIRIZYMG-UHFFFAOYSA-N 383.307 4.904 0 50 GJAA CCOC(=O)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCC)cc1 4653322 VKJAPTSWOSWCLQ-OAQYLSRUSA-N 397.515 4.807 0 50 GJAA COc1cccc(C2=N/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1 4906832 NRCGMMRTCRSJPU-PDGQHHTCSA-N 379.799 4.953 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2C(F)(F)F)CC(=O)N1 4916846 PZDBEAQDQRYKKF-INIZCTEOSA-N 395.421 4.849 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2c(F)cccc2F)cc1 11946280 RYHLWQCOMMMIGX-IBGZPJMESA-N 395.453 4.902 0 50 GJAA Cc1cccc(NC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3Cl)C2)c1C 12074366 PXPIJCUAPDUTRG-KRWDZBQOSA-N 399.922 4.631 0 50 GJAA CCOc1ccccc1N1CCN(Cc2c(OC)ccc3ccccc23)CC1 19632892 YFKKBPHFPANWLD-UHFFFAOYSA-N 376.500 4.569 0 50 GJAA Cc1cc(C)cc(NC(=O)CCCOc2nc(C3CC3)cc(C(F)(F)F)n2)c1 20606895 KLDGYHDEWUTLTJ-UHFFFAOYSA-N 393.409 4.787 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccn1)C[C@H]1CCCO1 55228620 MBHKUPBQPLGWAN-GOSISDBHSA-N 397.906 4.880 0 50 GJAA CC(C)N1CCC(C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 192073256 DWJQQZWGMNGDAG-UHFFFAOYSA-N 388.861 4.585 0 50 GJAA CCOC(=O)c1cn([C@H]2C[C@@H]2c2ccccc2)cc(Oc2ccccc2)c1=O 209920021 IPJAIZMHONLJAY-QUCCMNQESA-N 375.424 4.546 0 50 GJAA O=C(c1cccc(-c2cccc(C(F)(F)F)c2)c1)N1CCO[C@H](C2CC2)C1 299755965 GQWHJHCJKUXEPI-IBGZPJMESA-N 375.390 4.623 0 50 GJAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2ccc(C(=O)N(C)C)s2)cc1 426620294 VFOJGKPFEUNBDV-SFHVURJKSA-N 382.529 4.688 0 50 GJAA COc1cccc2c(C)cc(N3CCC[C@@H]3c3ccc(CN(C)C)cc3)nc12 1529101859 PCACVXHFSMCYEQ-OAQYLSRUSA-N 375.516 4.955 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCCC2 672918 NRXNVNSOVHWVFW-UHFFFAOYSA-N 379.428 4.723 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 799259 CBZUPVXQFIBFBI-UHFFFAOYSA-N 378.299 4.854 0 50 GJAA O=C(Nc1ccc(-c2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1 807265 XNJSGAADEFNRJX-UHFFFAOYSA-N 394.434 4.648 0 50 GJAA C[C@@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@@H](C)CO)cc3)c(F)c2)cc1 1405410 MJYBOLOAOGAXNB-IRXDYDNUSA-N 396.458 4.679 0 50 GJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O 2062879 AYXAGAVGGBVZLL-UHFFFAOYSA-N 379.456 4.841 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c(Cl)c1 4785333 PYXUFGKOQHWTNT-UHFFFAOYSA-N 380.206 4.754 0 50 GJAA COc1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc12 5013521 BQEIECWANWQBBB-SOFGYWHQSA-N 384.229 4.905 0 50 GJAA Cc1ccc(-c2nc(CSc3nnc(-c4ccccn4)n3C)cs2)cc1 6725582 ZKRJGYKVDJYGKN-UHFFFAOYSA-N 379.514 4.601 0 50 GJAA CSCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cccc1Cl 12028418 RMMMNLJOBORGNQ-HXUWFJFHSA-N 388.895 4.798 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1Cc1ccccc1F 12074958 SOJGWHVTDHYVAX-NRFANRHFSA-N 391.446 4.616 0 50 GJAA COc1ccc(-c2nc(CN3CCC(c4ccncc4)CC3)c(C)o2)cc1C 12305950 GQGHBPBHSFVQOF-UHFFFAOYSA-N 377.488 4.742 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)/C=C/c3cccs3)C2)c1 12469031 SFDFXQLKKMXTTI-DOJUMQAQSA-N 383.513 4.670 0 50 GJAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 14995107 LKRGMXNAZRKRIZ-QGZVFWFLSA-N 394.544 4.970 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H](CO)C1 71748072 YRAXWKVFTDGSSP-SFHVURJKSA-N 378.472 4.647 0 50 GJAA CC(C)c1ccc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cc1 91876923 FVDAZAYJJRLZPC-DEOSSOPVSA-N 382.548 4.597 0 50 GJAA CCCCn1ccnc1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 95501128 OETVSLVPEHOTIF-UHFFFAOYSA-N 382.533 4.621 0 50 GJAA CC(C)CO[C@@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 154335844 PBBZUJFTGDNZOV-OAHLLOKOSA-N 397.441 4.523 0 50 GJAA Cc1ccn(C)c(=O)c1NC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 155312738 ZXDQNQJPVJMBBO-HSZRJFAPSA-N 397.478 4.758 0 50 GJAA CN(Cc1ccc2ncccc2c1)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 216002448 DGLPHFCXDBFWSS-QHCPKHFHSA-N 391.490 4.560 0 50 GJAA c1ccc(OCc2nc(CNC[C@H]3CCO[C@@H]3c3ccccc3)cs2)cc1 328629790 PEGZMUQSPBINBH-XMSQKQJNSA-N 380.513 4.590 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H](C)CC4)csc3C2)nc1 426661390 UWSQKJHLIFWRIW-QGZVFWFLSA-N 397.588 4.526 0 50 GJAA Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 470216258 QIEJAHQPIBKQIK-SFHVURJKSA-N 398.491 4.701 0 50 GJAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCOC2(CCCC2)C1 766083863 PXQVMYHQFVYKLP-UHFFFAOYSA-N 378.497 4.749 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cccc(O)c3Cl)C2=O)cc1 2356149468 BPJOBEDKDFWQOO-JOCHJYFZSA-N 384.907 4.516 0 50 GJAA O=C(c1cc(Cl)ccc1F)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356152341 ZTZHOXCXQLDHNA-UHFFFAOYSA-N 398.865 4.665 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 759184 KJMQJUDHLSJUIY-KRWDZBQOSA-N 397.302 4.745 0 50 GJAA COc1ccc(O[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 1112964 STGBTEFSMDWADH-LLVKDONJSA-N 375.222 4.648 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCCCCC2 2777211 JEXTVRSBTLHHMQ-UHFFFAOYSA-N 379.428 4.724 0 50 GJAA CCn1cc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cn1 2808412 HLUBMEIBBHJDCH-QFIPXVFZSA-N 396.494 4.926 0 50 GJAA O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCc2ccccc21 9062760 UPQCDTCYQIBDFV-UHFFFAOYSA-N 386.898 4.671 0 50 GJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@](CO)(Cc4ccc(F)cc4)C3)oc2c1 12303330 BDKARPCKIPFGJB-XMMPIXPASA-N 395.474 4.646 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)cc1 12709598 WULJCXBMTQPPGK-FQEVSTJZSA-N 391.540 4.689 0 50 GJAA Cc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)c(C)o1 22920038 SQUIWIVWJOKQNC-XYOKQWHBSA-N 387.527 4.789 0 50 GJAA Cc1ncncc1C(=O)NCc1cc(Cl)cc2c(C)c(-c3ccccc3)[nH]c12 71748542 AFCUVDZPEHAVDG-UHFFFAOYSA-N 390.874 4.825 0 50 GJAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@]3(C)CCCCO3)cc12 77524680 QYUYIABIAJIXIJ-QHCPKHFHSA-N 380.463 4.858 0 50 GJAA CCCCn1c(=O)c(C(=O)Nc2ccc(OCCC)cc2)c(O)c2ccccc21 100658316 FRJDLHUUGOCTIZ-UHFFFAOYSA-N 394.471 4.548 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2C[C@H]3CC[C@H]2C3)cc1 100981220 HMJFQPBNYBYNBM-LPHOPBHVSA-N 377.463 4.671 0 50 GJAA CC(=O)N(C)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 118260505 DGCDKQNCCWDSKN-UHFFFAOYSA-N 385.876 4.699 0 50 GJAA CN(CC1(O)CCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 153636128 LYURCMNRLBCZAW-UHFFFAOYSA-N 395.286 4.558 0 50 GJAA COc1ccc(CN2C[C@@H](C(C)(C)C)Nc3ccccc32)cc1Cn1cccn1 1875341799 IIOMXYZGBIAFFO-QHCPKHFHSA-N 390.531 4.787 0 50 GJAA CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)OCC(F)F)cc1 1875361147 RJXGGZNVDLPJQF-UHFFFAOYSA-N 385.414 4.709 0 50 GJAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(OCCn2ccnc2)cc1 2325723663 LZMUQELCMBZKJA-MDWZMJQESA-N 383.451 4.767 0 50 GJAA COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc2ccccc2c1 812051 FLGMBOAWQJXKPY-UHFFFAOYSA-N 386.407 4.946 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 1120099 YSZRFMQSSFJEPE-UHFFFAOYSA-N 386.455 4.607 0 50 GJAA COc1ccc(CN(CC[C@H](c2ccc(F)cc2)c2ccco2)C(C)=O)cc1 1134937 NPFFNDGBTFGJQT-JOCHJYFZSA-N 381.447 4.998 0 50 GJAA COc1cc(NC(=O)c2ccccc2C)c(OC)cc1NC(=O)c1ccccc1 1149537 CLALMDJDMFURGQ-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21 1540632 ZZUKALQMHNSWTK-UHFFFAOYSA-N 380.484 4.982 0 50 GJAA in-vitro CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(-c3ccncc3)s2)cc1 2503272 AKDFTDWEOZBABP-IAGOWNOFSA-N 378.501 4.640 0 50 GJAA C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(C)(C)C)cc1Br 2849560 NRRQFFPAPSJUSF-KBPBESRZSA-N 382.342 4.915 0 50 GJAA C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2cccc3cccc1c23 3612622 BETSPDZGAGTDGB-LBPRGKRZSA-N 384.357 4.846 0 50 GJAA COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 13331391 BHCOBGLXNQLBBB-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA Cc1cc(CN2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n[nH]1 15079835 JXHFTMLODFSDGA-IBGZPJMESA-N 377.463 4.619 0 50 GJAA Cc1cc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)on1 67740902 UZAKJFVNSSPCDV-UHFFFAOYSA-N 392.480 4.965 0 50 GJAA CCC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 172192503 MDUAVNWCRHBQMO-UHFFFAOYSA-N 397.482 4.895 0 50 GJAA C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(F)cc1F 222002821 DLLDGVJKTUQXEH-AFGYVCNOSA-N 398.291 4.876 0 50 GJAA COc1cccc2[nH]cc(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c12 241588453 PDHLRBDWRLMDOY-UHFFFAOYSA-N 390.405 4.700 0 50 GJAA C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1c1cccn1C 248093787 CQPDJPZKKZTSOW-JPYJTQIMSA-N 389.499 4.982 0 50 GJAA Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 263618347 SNAHWLPOFFLAEK-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA CN(Cc1ccccc1CN1CCCC1)C(=O)Nc1ccc2ncsc2c1 299764166 XHNZILWMDYALQG-UHFFFAOYSA-N 380.517 4.556 0 50 GJAA CNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)cc1 435084175 AYBIDZFZLAVEAB-LLVKDONJSA-N 392.286 4.504 0 50 GJAA Cc1ccc(OC2CN(C(=O)c3ccc(CSc4ccccn4)cc3)C2)cc1 1506397999 ZCRJZHCAQHFZFE-UHFFFAOYSA-N 390.508 4.586 0 50 GJAA CCc1cccc(CC)c1NC(=O)c1cc(C(=O)OC)c2c(CC)ccc(C)n12 638892 FADQFWZHQZHGOI-UHFFFAOYSA-N 392.499 4.974 0 50 GJAA COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 888740 AGTZTRPBFSCFQN-UHFFFAOYSA-N 394.909 4.939 0 50 GJAA C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)C(C)(C)C 1073722 QMYDBFGRWHEQQV-CQSZACIVSA-N 376.456 4.795 0 50 GJAA CCOc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)sc2c1 1135845 ARCLVWJKLMBXPG-UHFFFAOYSA-N 386.498 4.628 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1154834 OWTSLPXQWNEWMN-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA Cc1ccccc1C(=O)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl 1230989 HDUFOEGJRYWJSQ-OAHLLOKOSA-N 375.658 4.672 0 50 GJAA CCOc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2842992 AAUKGQWLCRGRAW-IAGOWNOFSA-N 399.292 4.586 0 50 GJAA CC(C)(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1 2849625 QFEUCLCZWJRKAG-UHFFFAOYSA-N 388.265 4.771 0 50 GJAA COc1ccc([C@@H](CC(=O)N(C)Cc2nc(C)cs2)c2ccccc2)cc1 12431217 HZXRAPSPVNKETJ-FQEVSTJZSA-N 380.513 4.641 0 50 GJAA COC[C@@H]1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 12754474 QFLJMYUNTAGNBR-HXUWFJFHSA-N 375.516 4.624 0 50 GJAA CCO[C@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 13458981 OXEZOWCIRUNPIN-QHCPKHFHSA-N 393.439 4.738 0 50 GJAA biogenic,in-vitro Cc1nc(-c2ccc(N3CCC(N[C@H](C)Cc4cccnc4)CC3)cc2)cs1 55401579 PYTLITJHSCYUMP-QGZVFWFLSA-N 392.572 4.703 0 50 GJAA Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 263617108 MCPQJYLEFRYBOD-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA Cc1nc(Br)sc1C(=O)Nc1ccc(SC(F)F)cc1 328595045 JJOJZVDTJQGFFJ-UHFFFAOYSA-N 379.251 4.781 0 50 GJAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1C 455499024 CJIYVNFZPUFKQO-GOSISDBHSA-N 379.464 4.626 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)ccc1N1CCOCC1 952978052 ASVGOQGFFMKZGO-FQEVSTJZSA-N 398.572 4.521 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)c2)o1 1506419509 DMQIMVFDIBCPRT-MRXNPFEDSA-N 377.440 4.859 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N3CCC(c4nc(C(C)C)no4)CC3)c2)o1 1506426596 JOQNOZKRZLMVBQ-UHFFFAOYSA-N 379.460 4.781 0 50 GJAA FC(F)(F)c1cccc(CN2CC[C@]3(C2)CN(CC2CCCCC2)CCO3)c1 1857692968 BTDBMJJYBNABFG-NRFANRHFSA-N 396.497 4.562 0 50 GJAA O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCc1ccco1 641359 OSBXOHAOBAFIPZ-UHFFFAOYSA-N 383.014 4.521 0 50 GJAA CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 676568 MKQZAXPGTPPSLY-UHFFFAOYSA-N 388.496 4.849 0 50 GJAA CC1(C)C[C@@H](n2c(SCc3ccccc3)nc3ccccc3c2=O)CCO1 822720 ZSQCGDFEZXKZGK-KRWDZBQOSA-N 380.513 4.819 0 50 GJAA O=S(=O)(NCCC1=CCCCC1)c1ccc(Br)c2ccccc12 944426 KAVXFSYDIHKUOP-UHFFFAOYSA-N 394.334 4.771 0 50 GJAA Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc(Br)cc2)n1 1064824 QZNMZMMVZXLFKJ-UHFFFAOYSA-N 391.212 4.541 0 50 GJAA Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccccc3)ccc2o1 1186325 YTKPRDLFXVOWMB-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 1197867 KNWUJWAPZSVSSK-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA CC(=O)Nc1ccc(-c2nc3cc(NC(C)=O)ccc3n2-c2ccccc2)cc1 1409352 IGJZOQCLLMKFRS-UHFFFAOYSA-N 384.439 4.609 0 50 GJAA O=C(NC1(C(=O)O)CCCCCC1)OCC1c2ccccc2-c2ccccc21 1433288 KTXGWSABCZHTNH-UHFFFAOYSA-N 379.456 4.703 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 1459919 LHSXXBNPVWUOJW-QGZVFWFLSA-N 378.472 4.599 0 50 GJAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 5745608 ZLQKVQPQSXSLMN-HYBUGGRVSA-N 384.435 4.966 0 50 GJAA O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 12593756 SQPUDXPZIQEZIU-IBGZPJMESA-N 377.513 4.661 0 50 GJAA COc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1O 22078015 NRYRZMSEIXKEEC-OAQYLSRUSA-N 376.500 4.947 0 50 GJAA COc1cccc(CN(C)N2C(=O)[C@H](c3ccccc3)c3ccccc32)c1Cl 44125142 YXAMKLSSJRYFIA-OAQYLSRUSA-N 392.886 4.874 0 50 GJAA CSc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)cc1 67673840 ZIHVQAKMMOHMLU-LJQANCHMSA-N 396.556 4.938 0 50 GJAA CC(=O)Nc1cccc(Nc2nnc(SCc3ccncc3Cl)s2)c1 184546969 VIAMPUSWGMQJJV-UHFFFAOYSA-N 391.909 4.581 0 50 GJAA O=C(Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@H]12)c1cccs1 253414032 WGYVHWWKCSTLPT-DOTOQJQBSA-N 387.574 4.752 0 50 GJAA biogenic CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 426384009 WWRACIGJWGYHLP-QFIPXVFZSA-N 376.500 4.877 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C 463544289 RCAARGAPNCNLMK-HOTGVXAUSA-N 376.884 4.625 0 50 GJAA CC(C)OCc1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875331548 MSNSAGMBBYGUBT-VIFPVBQESA-N 375.650 4.551 0 50 GJAA CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccsc1Br 2325853192 HEWDCXYPDPSBCF-UHFFFAOYSA-N 395.366 4.706 0 50 GJAA Fc1ccc(-c2csc3ncnc(NCCc4ccc5c(c4)OCO5)c23)cc1 632009 MRFVZYJWFRGYJH-UHFFFAOYSA-N 393.443 4.881 0 50 GJAA O=C(Oc1ccccc1Cl)c1cccc(COCC(F)(F)C(F)F)c1 2750335 UJFPQGMYGASSFX-UHFFFAOYSA-N 376.733 4.976 0 50 GJAA CCOc1cc(C=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 2834432 UCETUMORDSCBPE-UHFFFAOYSA-N 393.277 4.735 0 50 GJAA CCCC[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 2998644 LXBSQTGMPFWNQE-NRFANRHFSA-N 386.451 4.633 0 50 GJAA COC(=O)CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 5481518 SOENHQITFWRXDH-UHFFFAOYSA-N 394.562 4.771 0 50 GJAA COc1ccc2ccccc2c1CNC(=O)c1cc(CCc2ccccc2)no1 12150253 RARSFRPMNFCBRF-UHFFFAOYSA-N 386.451 4.552 0 50 GJAA COc1ccc(OC)c(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c1 55100173 GNRJXEPZAHUSIG-UHFFFAOYSA-N 397.496 4.533 0 50 GJAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)c1 67855800 YRJSPTGPUFXHFI-UHFFFAOYSA-N 378.476 4.516 0 50 GJAA COCc1nn2c(-c3cccc(OC)c3)ccnc2c1-c1cccc(Cl)c1 72115394 XUHNVUQKUFLEHF-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@@H](C)[C@H]1CCCNC1 151730973 LMUJVRORVQKMCU-MSOLQXFVSA-N 394.519 4.603 0 50 GJAA Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(c3cccc4cnccc34)CC1)CO2 1875264039 BBMVVQILJCOVKY-QFIPXVFZSA-N 387.483 4.566 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C1)CC2 2356155391 FHBVGJGXEGLQOG-RUZDIDTESA-N 383.495 4.572 0 50 GJAA Cc1cc(I)ccc1NC(=O)Nc1ccc(Cl)cc1 639125 KCKTYSIJLGWWSL-UHFFFAOYSA-N 386.620 4.897 0 50 GJAA O=C(Nc1cccc(Cl)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 969821 JWUBCNMCXKWCAB-QGOAFFKASA-N 382.872 4.811 0 50 GJAA Clc1ccccc1[C@H]1C[C@H](c2cccc(Br)c2)n2ncnc2N1 1129357 OFJYLVQCNQKRJP-HZPDHXFCSA-N 389.684 4.840 0 50 GJAA CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc12 1134800 PMVHYOVPXDDHOK-UHFFFAOYSA-N 385.847 4.725 0 50 GJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 1177647 DRYQHQVAFVJKKE-UHFFFAOYSA-N 396.343 4.966 0 50 GJAA COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 1210731 ZFWUUSGRIXFXKI-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA CC[C@]1(C)Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 2239648 SLGZVXOIWFRHGN-LJQANCHMSA-N 389.521 4.946 0 50 GJAA CCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S 6026724 LLJXOSLJPASZKO-UHFFFAOYSA-N 389.477 4.641 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC23CCN(C[C@@H]2CC=CCC2)CC3)cc1Cl 12038911 KQDNMVUGAZOKPR-AEFFLSMTSA-N 388.939 4.746 0 50 GJAA Cc1ccc(C(=O)N(Cc2cccc(OCCN3CCCCC3)c2)C2CC2)s1 12040457 RQHYECHUFFUHPS-UHFFFAOYSA-N 398.572 4.726 0 50 GJAA O=C(c1ccccc1OC1CCN(C2CCCCCC2)CC1)N1CCCCC1 12464938 HGSBCMOWMOOPLS-UHFFFAOYSA-N 384.564 4.879 0 50 GJAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1 15071482 WGNWVHBFDNEOMI-XMMPIXPASA-N 394.515 4.723 0 50 GJAA Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)[C@H](C)c1nccs1 15078462 JAYHGFNYLOGPJP-SNVBAGLBSA-N 391.880 4.682 0 50 GJAA Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 20604847 LVFUKYMFSBPMNZ-UHFFFAOYSA-N 389.356 4.596 0 50 GJAA COC[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12 92066424 BTIWPLPNTADIIQ-CQSZACIVSA-N 384.863 4.789 0 50 GJAA CC(C)NC(=O)c1ccnc(N2CCCC(c3ccccc3)(c3ccccc3)C2)c1 95391807 GKLACWNFHKTGRY-UHFFFAOYSA-N 399.538 4.806 0 50 GJAA Cc1ccc2c(c1)NC(=O)CN(C(=S)Nc1ccccc1)[C@H]2c1ccccc1 170612664 JDOUDEHBHNKXTQ-QFIPXVFZSA-N 387.508 4.736 0 50 GJAA Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C(C)C)cc1Br 170615085 LFYWDRMEUZYMQF-UHFFFAOYSA-N 388.371 4.882 0 50 GJAA Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 173851899 YOXUWRRYOHZEEX-SFHVURJKSA-N 381.520 4.665 0 50 GJAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1NCc1cccnc1 328591345 MCBBGCOOJDAHQP-UHFFFAOYSA-N 386.499 4.936 0 50 GJAA CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCC1CC1 408526002 INBYHDJJRWYBCZ-UHFFFAOYSA-N 394.906 4.744 0 50 GJAA C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 470192314 FYYQCWLIRQCDCJ-FQEVSTJZSA-N 399.538 4.838 0 50 GJAA O[C@H](COc1ccccc1Cl)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1875343970 AJACQQLDUBDZPU-HIUFNZKISA-N 385.935 4.738 0 50 GJAA COc1ccc2c(N[C@@H](C)c3ccc4nc(C5CC5)[nH]c4c3)ncnc2c1F 2325878600 VUALYFXHVYZNCV-NSHDSACASA-N 377.423 4.704 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 1170143 LNRPABAGLBWIRZ-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA COc1ccccc1N1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 1208070 GVGIFGHLXFMKSR-GDNBJRDFSA-N 390.258 4.699 0 50 GJAA O=C(NCc1ccoc1)c1ccc([C@@H]2CCCN2Cc2ccccc2F)s1 23367974 RNIWONAUBOKIGA-SFHVURJKSA-N 384.476 4.747 0 50 GJAA Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)sc2c1 100966860 PXAAFEPLENPVFH-IAGOWNOFSA-N 376.481 4.951 0 50 GJAA CC(C)Oc1cc(CN(C(=O)Nc2ccccc2N2CCCC2)C2CC2)ccn1 155120366 MKILSZCVQDKKDD-UHFFFAOYSA-N 394.519 4.666 0 50 GJAA OCC[C@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1347681631 CGYONDIDUMYUNY-KRWDZBQOSA-N 375.459 4.528 0 50 GJAA CC(C)C[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 1464248551 WJBBQSRHZYSZGK-KUHUBIRLSA-N 384.907 4.842 0 50 GJAA Cc1occc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857523986 XLLRLAABUFOJPC-UHFFFAOYSA-N 399.372 4.679 0 50 GJAA COc1cc(Br)c(CNCc2ccc3ccoc3c2)cc1OC 2325725422 ARBZOXBQFHWRHB-UHFFFAOYSA-N 376.250 4.502 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 878089 ZRVTUVOVQGBJEY-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA O=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)C(F)F)cc1 1009085 HVCAPTGDTJFPOR-UHFFFAOYSA-N 389.776 4.687 0 50 GJAA O=C(NCc1cccs1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 1073808 UVILNQIBXXUOCX-UHFFFAOYSA-N 379.872 4.942 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1Cl 1098925 ZZVSGGMGKKZYML-UHFFFAOYSA-N 392.846 4.725 0 50 GJAA COc1ccc2c(Cl)c(C(=O)N3CCN(c4ccccc4)CC3)sc2c1 1470058 RPSAQISVKDIKOK-UHFFFAOYSA-N 386.904 4.526 0 50 GJAA CC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1 3202870 QSXWZDIMVJWCEF-UHFFFAOYSA-N 386.561 4.843 0 50 GJAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 4632160 UPEVFCGKJSUQBR-QFIPXVFZSA-N 380.451 4.964 0 50 GJAA COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(F)cc1 5063816 GSGGFPCOKSWUDE-UHFFFAOYSA-N 388.236 4.931 0 50 GJAA COC(=O)c1sccc1Oc1ccc(NC(=O)CCc2ccccc2)cc1 8887751 VPKGRZVZRDQAAK-UHFFFAOYSA-N 381.453 4.898 0 50 GJAA CN(Cc1ccccn1)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 11667941 OKXWXIYMGUHYSK-UHFFFAOYSA-N 391.858 4.739 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2C(N)=O)C1 12381396 VTADXJRQKMHKAZ-HYVNUMGLSA-N 396.556 4.740 0 50 GJAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 12584912 CCOWQKBZSQAXTD-LJQANCHMSA-N 387.479 4.586 0 50 GJAA COc1cc(NC(=O)/C=C\c2ccco2)ccc1-c1cc2ccccc2oc1=O 15799254 LAHYDGZTNAJIBW-LUAWRHEFSA-N 387.391 4.714 0 50 GJAA Cc1cc(C)c2[nH]c(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)c(C)c2c1 91986823 OLLPJRRONFSFAE-IBGZPJMESA-N 375.516 4.692 0 50 GJAA Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cnn(-c2ccccn2)c1C 117150511 BHWKPWWTWLTKFB-UHFFFAOYSA-N 398.466 4.715 0 50 GJAA O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@@H]1c1nccs1 151619923 RVPRHYKLBBCRBE-CQSZACIVSA-N 391.345 4.507 0 50 GJAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 170629069 FIJOJDKKZICKQI-WMLDXEAASA-N 397.425 4.598 0 50 GJAA COc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2O[C@@H](C)[C@H]3C)c(OC)c1 248250607 PGSVYBCZVHIZRM-SIFCLUCFSA-N 381.472 4.566 0 50 GJAA Cc1ccc(S(=O)(=O)C2=C([Si](C)(C)C)[C@H]3C[C@H]2[C@H]2[C@H]4C=C[C@@H](C4)[C@@H]32)cc1 252427839 ICWLQQYPCCHARK-SYVORCANSA-N 384.617 4.988 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257356428 HZUUHCXBSGFHDC-JCBWCNRASA-N 376.537 4.750 0 50 GJAA Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 263616197 HOMFTYUZARTLTL-NRFANRHFSA-N 386.455 4.797 0 50 GJAA Cc1ccccc1C1CC(N(C(=O)c2oc3c(c2C)C(=O)CCC3)C2CC2)C1 329721748 NEGBEJMTCPDRTG-UHFFFAOYSA-N 377.484 4.966 0 50 GJAA Cc1c(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)c(O)nc2ccccc12 534676038 OJZJYZOLNNIBMJ-BGYRXZFFSA-N 384.479 4.954 0 50 GJAA Cc1ncc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1 1857531544 PYDHGOZFUXXZFE-MRXNPFEDSA-N 379.847 4.680 0 50 GJAA COC(=O)c1ccc(CNc2ncc(C(F)(F)F)cc2C(F)(F)F)cc1C 1875322974 QCCNAENTEDMCNZ-UHFFFAOYSA-N 392.299 4.826 0 50 GJAA Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3nccc5occc35)CC4)o2)c1 2325737358 NELOMVVFTAJUIL-KRWDZBQOSA-N 390.418 4.791 0 50 GJAA COc1ccc(NC(=O)/C=C/c2ccc(F)c(C)c2)cc1OCc1ccncc1 2325746341 GVFLPGKATAXXKB-XBXARRHUSA-N 392.430 4.769 0 50 GJAA CC1(C)C[C@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1 668836 POELBCUWPASYPJ-XOBRGWDASA-N 390.574 4.554 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@H](c2ccccn2)Nc2ccccc2-3)cc1 795584 ZHKRAIURCCWPOG-HXUWFJFHSA-N 399.479 4.729 0 50 GJAA CCn1nc(C)c(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)c1C 1073710 GZWJLNIZNKABNF-UHFFFAOYSA-N 399.498 4.999 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)C(C)(C)C)ccc12 1182268 SNNXDGQSBBQLSO-UHFFFAOYSA-N 378.468 4.995 0 50 GJAA Cc1ccc(-n2cc(C(=O)c3ccccc3OC(=O)c3cccs3)cn2)cc1 1385079 GHVBMEZKYKTENV-UHFFFAOYSA-N 388.448 4.692 0 50 GJAA O=C(Nc1cccc(C(=O)N2CCCC2)c1)C(c1ccccc1)c1ccccc1 2891016 GKYRYOPHDYPNJX-UHFFFAOYSA-N 384.479 4.693 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1OC 4146213 IGTAVZAPGLHBIZ-IBGZPJMESA-N 378.472 4.908 0 50 GJAA CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C 4717215 CJNLULVRNIRSID-PZJWPPBQSA-N 376.500 4.794 0 50 GJAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC[C@@H]1c1cccnc1 12447131 QHNGBIDGNRPLPU-LJQANCHMSA-N 388.496 4.825 0 50 GJAA CN(C/C=C/c1ccccc1)Cc1nnc(SCc2ccccc2Cl)n1C 14974815 SDJRFCVVJXHZJB-DHZHZOJOSA-N 398.963 4.906 0 50 GJAA CO[C@@H](c1ccc2c(c1)CN(C(=O)CCc1ccco1)CCO2)C1CCCCC1 14997129 DSIYKNZKMHGIID-XMMPIXPASA-N 397.515 4.901 0 50 GJAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 16035533 SEOJSINNZWEMGO-UHFFFAOYSA-N 387.549 4.700 0 50 GJAA C[C@@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1-c1cnc2cc(O)ccc2c1 65375599 JNTSWYRHEJWBDH-INIZCTEOSA-N 395.466 4.814 0 50 GJAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(-c2ccccc2Cl)o1 111097757 CBMRPJXUKZCYOG-UHFFFAOYSA-N 379.847 4.759 0 50 GJAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 124062814 JIXRTDIJXFIAQE-KURKYZTESA-N 396.556 4.954 0 50 GJAA COCCn1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 253412506 REZBMFHXMQAQGQ-OAQYLSRUSA-N 387.483 4.576 0 50 GJAA biogenic CC[C@H]1CN(Cc2ccc(CN3CCCC3)s2)Cc2cc(OC)ccc2O1 299787374 WGLZDNNQCZMKQX-SFHVURJKSA-N 386.561 4.526 0 50 GJAA C[C@@H](CC(=O)NC[C@]1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 731366713 BDYZDVOLLODNDE-YCRPNKLZSA-N 391.433 4.539 0 50 GJAA COc1ccc(Oc2ccc(C(=O)N3CCC[C@]4(CCC[C@H]4OC)C3)cc2)cc1 1704340053 DZYHFLQHDDGPFX-ISKFKSNPSA-N 395.499 4.909 0 50 GJAA O=C(O)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)c1ccc(F)cc1F 2325869337 JPPMLJOKZZVYRS-NRFANRHFSA-N 397.421 4.773 0 50 GJAA Nc1c(Br)c(C(F)(F)F)cc(C(F)(F)F)c1Br 2147413 FFGIDWLBPMXQOY-UHFFFAOYSA-N 386.915 4.831 0 50 GJAA CCN(CC)CCn1c(NC(=O)c2csc3c2CCCC3)nc2ccccc21 6517496 VSJWSXRZJQAEDJ-UHFFFAOYSA-N 396.560 4.571 0 50 GJAA O=C(c1ccccc1F)N(Cc1cccc(OC[C@H]2CCCCO2)c1)C1CC1 12149654 RVXNRAWCEYRLBO-HXUWFJFHSA-N 383.463 4.578 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 12575846 WHQDFQHNUPKJBW-RHCLBKJASA-N 399.550 4.576 0 50 GJAA COc1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1OC 19361762 IUTAKTOPLYNOIK-UHFFFAOYSA-N 394.559 4.548 0 50 GJAA COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 25781797 YJSUDLJDICUKHV-PGRDOPGGSA-N 376.412 4.539 0 50 GJAA Cc1ccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc2c1 63844382 UUGKJOOFAJDBIM-UHFFFAOYSA-N 386.499 4.750 0 50 GJAA CC(C)c1cc(CN(C)C(=O)Nc2ccc(CCc3ccccn3)cc2)no1 95517718 QVKOUGBYASYAIB-UHFFFAOYSA-N 378.476 4.642 0 50 GJAA O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCC(OC2CCCC2)CC1 121120076 YYTULPJWTSPOSI-HSZRJFAPSA-N 378.516 4.790 0 50 GJAA Cc1noc(-c2ccccc2)c1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 155138361 VROZPKFAJFXJNB-HXUWFJFHSA-N 391.471 4.554 0 50 GJAA Cc1c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)oc2ccccc12 238924324 RZICPABJGISIDQ-UHFFFAOYSA-N 377.827 6.439 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 245226501 ZPRFWGVOJIMMSJ-BVPHUKPHSA-N 381.431 4.657 0 50 GJAA Cc1nnc(S[C@H](C)c2nnnn2C2CCCCC2)n1[C@@H]1CCC[C@@H](C)C1 248676527 AKCNTOMIAAXYGR-CKEIUWERSA-N 389.573 4.683 0 50 GJAA CC(C)(C)C[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cccnc1 828000462 KNZRSQBDDMNCPN-QFIPXVFZSA-N 379.548 4.555 0 50 GJAA C[C@H](OC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 915490832 XTQAZURKGSAIGU-CVEARBPZSA-N 386.451 4.744 0 50 GJAA O[C@H](COc1ccccc1Cl)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1875343972 AJACQQLDUBDZPU-KEZQHZCBSA-N 385.935 4.738 0 50 GJAA CCOC(=O)[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 622154 SZKWPEKYSXQTGO-FQEVSTJZSA-N 398.842 4.618 0 50 GJAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2c3c(cccc13)CC2 1140652 SCZUNHLAEPRIAV-UHFFFAOYSA-N 392.886 4.681 0 50 GJAA CCOc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1 1207634 AHAJGUUPUAKTRM-UHFFFAOYSA-N 376.865 4.674 0 50 GJAA CC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 1217472 RHYLOQFANKFQPP-VIFPVBQESA-N 397.327 4.921 0 50 GJAA O=C(O)CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 2527170 YYRZYEJDKCYTOM-UHFFFAOYSA-N 393.483 4.902 0 50 GJAA in-vitro O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)NC(=S)N1c1ccccc1 2752133 OKXLDCNLLCSKCD-ATVHPVEESA-N 380.856 4.862 0 50 GJAA COc1ccc(OCc2ccc(C)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 2815238 FXYGVCXSBPZMRW-PXLXIMEGSA-N 399.446 4.927 0 50 GJAA CCn1c(SCC(=O)c2ccc(F)cc2)nnc1[C@@H](C)Oc1ccccc1 4842170 MRCJSILMWMDVFB-CQSZACIVSA-N 385.464 4.552 0 50 GJAA CN(Cc1ccccn1)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 11664919 UJAQFIPGMATDAI-HXUWFJFHSA-N 380.875 4.621 0 50 GJAA COc1cc(-c2nc(CN3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)ccc1F 12431545 MXJUYFGJKRZTTI-QGZVFWFLSA-N 388.483 4.625 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1 19808851 ZQTDRCIPOJTDMA-UHFFFAOYSA-N 388.467 4.563 0 50 GJAA CCOC(=O)c1cn([C@@H]2C[C@H]2c2ccccc2)cc(Oc2ccccc2)c1=O 55108888 IPJAIZMHONLJAY-AZUAARDMSA-N 375.424 4.546 0 50 GJAA CC(=O)O[C@@H](COC(c1ccccc1)c1ccccc1)CN1[C@@H](C)CCC[C@H]1C 102196352 FJYUFFBYTLIJHR-JXALWOEJSA-N 395.543 4.987 0 50 GJAA CC(=O)N1CCc2cccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)c21 151357575 VJBBWUDGJNUVRK-UHFFFAOYSA-N 397.887 4.625 0 50 GJAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cn(C2CC2)c(=O)c2ccccc12 169774031 JDUZQIVUROWASW-QFIPXVFZSA-N 397.478 4.625 0 50 GJAA Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 205761700 HSDSSIBCZOFIBG-CYBMUJFWSA-N 377.271 4.602 0 50 GJAA O=C(NC1CCCCC1)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 223244797 VVYNOTLPOWYDAM-MRXNPFEDSA-N 395.450 4.778 0 50 GJAA CCc1sc(=O)n(CC(=O)N2c3ccccc3CC[C@@H]2C)c1-c1ccccc1 498871927 KUNQBKVTFZFSKO-INIZCTEOSA-N 392.524 4.507 0 50 GJAA COc1ccc(-c2cc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)nn2-c2ccccc2)cc1 1875260379 HQUDEVMUUWAQAZ-BGYRXZFFSA-N 399.494 4.586 0 50 GJAA COc1ccccc1CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1068336 ADGCJHWWFRAXLF-UHFFFAOYSA-N 382.463 4.883 0 50 GJAA Cc1cc(C)nc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 1115097 QIRDKULIAWDBNK-UHFFFAOYSA-N 397.434 4.895 0 50 GJAA Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C(C)(C)C)CO2 1392419 VAHYYMAMMWDZTK-GOSISDBHSA-N 379.909 4.651 0 50 GJAA CCc1ccc(OCc2nc(-c3ccc(OC)cc3)no2)c(Br)c1 2391587 DCJQIENSSUNXPD-UHFFFAOYSA-N 389.249 4.649 0 50 GJAA COC(=O)CSc1nnc(SCc2c(C)ccc3ccccc23)s1 2532501 IEGARSSDFHLAQS-UHFFFAOYSA-N 376.528 4.557 0 50 GJAA COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2Cl)cc1 2845157 FJUYHJCGXWVBCD-UHFFFAOYSA-N 395.842 4.958 0 50 GJAA CCOC(=O)C1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 4890700 LYHATMBIUJCIHD-CAPFRKAQSA-N 397.902 4.682 0 50 GJAA Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\SC(=N)NC3=O)c2)c1 5102277 OQTXIWQYOILWFL-MOSHPQCFSA-N 396.512 4.715 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c(=O)o1 5441853 IFTOLFFKMKSNOE-LJQANCHMSA-N 379.437 4.717 0 50 GJAA biogenic CCC(CC)C(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@H]1CCCO1 11814720 HAOMHCDFKIHPJR-OAQYLSRUSA-N 397.563 4.553 0 50 GJAA CCOc1cc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)ccc1OC 11950985 WWZZFZIMYZRPQP-UHFFFAOYSA-N 396.531 4.725 0 50 GJAA O[C@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc3ccccc3c1)CCO2 12158724 YUHMULCNZJXEEA-SANMLTNESA-N 396.490 4.711 0 50 GJAA CN(Cc1ccn[nH]1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 12306770 ZKAAOFYPHLYGGF-UHFFFAOYSA-N 395.869 4.687 0 50 GJAA C[C@H](CN1CCC(CCC(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 12430184 BIUOEDWSPATXTM-OAQYLSRUSA-N 378.560 4.941 0 50 GJAA O=C(Nc1ccc(Br)cn1)C1c2ccccc2Oc2ccccc21 12969535 USSPOFONHAINQI-UHFFFAOYSA-N 381.229 4.720 0 50 GJAA Cc1ccc(C)c(N2CCN(Cc3nc(-c4cc(F)ccc4F)oc3C)CC2)c1 55089351 XTXLYYZVZLPPCO-UHFFFAOYSA-N 397.469 4.867 0 50 GJAA CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc2ccccc2[nH]c1=O 111308236 GQJTYKAWUHSPER-FQEVSTJZSA-N 382.891 4.534 0 50 GJAA CCO[C@H](CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1)C1CCCC1 176509221 GPGPZRBSLNCUSU-HXUWFJFHSA-N 399.535 4.702 0 50 GJAA CN(C(=O)CC1CCC(C(F)(F)F)CC1)c1ccc(-c2ccccc2)nn1 183430223 QWOAZZSKIOUWKD-UHFFFAOYSA-N 377.410 4.865 0 50 GJAA COCc1ccc(CNc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1 241132871 JMORBCSNAFXAAF-UHFFFAOYSA-N 386.448 4.521 0 50 GJAA O=C(c1coc(C2CCOCC2)n1)N1CCCCC[C@H]1c1ccc(Cl)cc1 328833690 WIOKHSFFJDAAHY-IBGZPJMESA-N 388.895 4.980 0 50 GJAA O=C(c1cccc2cnccc12)N1CCN(Cc2ccccc2)c2ccccc21 490930357 BWIQMDQJWMWKFG-UHFFFAOYSA-N 379.463 4.902 0 50 GJAA CC(C)Oc1ccc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)cc1Cl 793527029 SDWZQLIRJSTYEG-MRXNPFEDSA-N 384.911 4.618 0 50 GJAA CN(C)Cc1cccc(C(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)c1 2325722789 HPPPMDIBPNIDHG-UHFFFAOYSA-N 393.556 4.552 0 50 GJAA O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@H](C1)C2(F)F 2325751566 NMPMNFMALRCNHT-SFYZADRCSA-N 387.160 4.714 0 50 GJAA COc1ccc(C(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 623924 MUCGXQQMTFWCDI-UHFFFAOYSA-N 382.412 4.577 0 50 GJAA biogenic Cc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)Cl)cc3)nc2c1 718572 BIDJKSIYHULAOP-UHFFFAOYSA-N 397.834 4.770 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)oc2c1 878091 DVVOUHFNQLBGTN-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)Nc1ccccc1F 1168642 SGLPTWCLFAKOPL-UHFFFAOYSA-N 392.456 4.894 0 50 GJAA Cc1cc(Cl)ccc1NC(=O)/C(Cl)=C1/Sc2ccccc2NC1=O 1613903 RDJKSXKXEGGHFC-PFONDFGASA-N 379.268 4.782 0 50 GJAA CCOP(=O)(OCC)C(NC(=O)/C=C/c1ccccc1)=C(Cl)Cl 1738775 KDBMLUMBXYOMOS-ZHACJKMWSA-N 378.192 4.686 0 50 GJAA O=c1sc2c(s1)SC(=C1Sc3sc(=O)sc3S1)S2 2527989 JVSSQMMIVZRMMO-UHFFFAOYSA-N 384.622 4.875 0 50 GJAA in-vitro CC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2779698 CPIZNKMSXUKHAH-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 2902185 WDOYPILSTJJAGX-UHFFFAOYSA-N 394.468 4.755 0 50 GJAA CC(C)c1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n[nH]1 11936077 JEMSMQUWSHFCCV-GOSISDBHSA-N 392.503 4.644 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(Cc4cc(C)n[nH]4)C3)c2)c1 12315922 LMCYEGSOYNQVMV-NRFANRHFSA-N 388.515 4.544 0 50 GJAA Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 15068307 CYCZYDSXTWKZGE-QFIPXVFZSA-N 387.483 4.785 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@H]1CCn1ccnc1 23506327 NLWJLBDUMHKTHP-IBGZPJMESA-N 384.911 4.945 0 50 GJAA COc1ccc(CCN(C)c2cc(C)c3ccc(SC)cc3n2)cc1OC 23634539 VNVMIUFJMFQCKH-UHFFFAOYSA-N 382.529 4.961 0 50 GJAA CN1CCC[C@@H]1CCn1cnc(-c2ccccc2)c1COCc1ccccc1 65398326 RODBSIRJHGHRLZ-JOCHJYFZSA-N 375.516 4.751 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 95524342 ISZHILLZZXJQKP-HNNXBMFYSA-N 379.426 4.722 0 50 GJAA CCc1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)on1 95530163 JDEZFPYBTBBVMR-UHFFFAOYSA-N 375.900 4.521 0 50 GJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 238936966 SQFALPKIUAOVMZ-YRASXDPISA-N 394.359 4.851 0 50 GJAA Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 263618026 QXDIHNHHGRVBMG-IBGZPJMESA-N 392.846 4.833 0 50 GJAA CC(=O)N1c2ccccc2C(CSc2nc(O)c3ccccc3n2)=CC1(C)C 1857526142 PJQFXIAYPKWACI-UHFFFAOYSA-N 391.496 4.656 0 50 GJAA O[C@H](Cn1ccc2ccccc21)Cn1c(Cc2ccccc2)nc2ccccc21 1076792 DTULNVHCDCVZTD-OAQYLSRUSA-N 381.479 4.643 0 50 GJAA CCCC(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1128292 QWLHWKDYHGBWRU-UHFFFAOYSA-N 376.287 4.808 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 1173126 XSVZTAZIIQZZCA-UHFFFAOYSA-N 382.407 4.619 0 50 GJAA Cc1cccc(C)c1NC(=O)COc1cc2oc(=O)c(C)c(C)c2cc1Cl 2841809 IVMJUOYKRAIOEM-UHFFFAOYSA-N 385.847 4.698 0 50 GJAA CC1(C)C[C@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 4027988 KSYJNXBVSXXVCQ-DEOSSOPVSA-N 381.516 4.713 0 50 GJAA biogenic O=C(Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 4985720 DVQYAFSHULGAJS-UHFFFAOYSA-N 392.474 4.777 0 50 GJAA COc1cc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)ccc1F 14971115 LWUVPOHWNQYWDM-KRWDZBQOSA-N 387.480 4.981 0 50 GJAA CCc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 15859684 AUFLYSXEYNPQRN-IBGZPJMESA-N 395.528 4.532 0 50 GJAA Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(OC(F)F)cc3)ccc12 16282156 AQGCTIUJPZZIDP-UHFFFAOYSA-N 376.384 4.512 0 50 GJAA Cc1oc(-c2ccoc2)nc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 20451700 HVFKQWLDYKYFOW-BGWNEDDSSA-N 392.499 4.895 0 50 GJAA Clc1ccc(CN2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 65505886 DRNZKBLIRXLLGO-GOSISDBHSA-N 393.874 4.515 0 50 GJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3c(C)[nH]c4c(F)cccc34)[nH]c2c1 91746859 VVRRWXPKZCXLMQ-FQEVSTJZSA-N 390.462 4.706 0 50 GJAA Cc1ccc(-c2cccc(NC(=O)N3CCC[C@H](c4nc(C)n[nH]4)C3)c2)cc1 97575096 RAYRWJRIAABQQJ-IBGZPJMESA-N 375.476 4.500 0 50 GJAA O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(C1CCCCC1)C1CC1 170622936 HYLNIDDYSVGGOM-UHFFFAOYSA-N 379.382 4.693 0 50 GJAA Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 170631697 CJCSTTPJIXATKB-IFMALSPDSA-N 392.455 4.585 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 241121733 JDPAWMCRBTZKDE-OTWHNJEPSA-N 375.896 4.899 0 50 GJAA Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 263615563 DAWWOGJHXWMGDV-LJQANCHMSA-N 392.846 4.833 0 50 GJAA Oc1ccc(Cc2ccccc2)cc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 445998750 NGJGLFJYIAPZRF-UHFFFAOYSA-N 396.406 4.750 0 50 GJAA CC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2)nc1 534664781 QJQCWSDOXDKNAH-QHCPKHFHSA-N 385.467 4.570 0 50 GJAA CC[C@H](NC(=O)c1coc(-c2ccc(F)cc2)n1)c1nc(C(F)(F)F)cs1 1875320800 LIHRUOGWLRNDQM-NSHDSACASA-N 399.369 4.837 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc(C)c1Cl 629880 IXDIKWBZGGXNRH-UHFFFAOYSA-N 389.879 4.787 0 50 GJAA O=C(CSc1nc2ccccc2o1)Nc1ccc(Br)cc1Cl 815651 OAIBLUWKPJYFAA-UHFFFAOYSA-N 397.681 4.975 0 50 GJAA O=C1c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C(=O)N1Cc1ccccc1 1061771 XJQHZDGXRKJOHY-UHFFFAOYSA-N 388.810 4.944 0 50 GJAA Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4ccco4)c12)CCCC3 1826838 GPMJVDLWPNFQIO-UHFFFAOYSA-N 396.497 4.726 0 50 GJAA O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cccnc1Cl 2763676 VBLMALCHPZAZIK-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA Fc1ccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)cc1 2860635 HIOWQLJTBPVIKY-UHFFFAOYSA-N 376.416 4.843 0 50 GJAA COc1ccccc1CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2867524 XKPCILKJJOOPPD-UHFFFAOYSA-N 386.451 4.784 0 50 GJAA CC(C)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 2879898 DYDPSRSANPNWOY-UHFFFAOYSA-N 378.472 4.605 0 50 GJAA O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 4551349 IIDXTANDCIHAPJ-INIZCTEOSA-N 397.809 4.815 0 50 GJAA C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCO5)c23)C1 5063782 ZSXYDWRGNXIGQC-NSHDSACASA-N 398.509 4.520 0 50 GJAA Cc1c([C@@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc12 12073890 ASEPRTYQJJZOGK-MRXNPFEDSA-N 385.467 4.913 0 50 GJAA CCc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C(=O)NC1CCCCC1 13329587 FMDGOIPPDNUWMZ-UHFFFAOYSA-N 389.521 4.539 0 50 GJAA COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 13331427 HYUIUFVDXMKNLB-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA CCC[C@H]1CCN(Cc2ccccc2-c2nc(O)c(C)c(C(F)(F)F)n2)C1 48436012 KDJLQPMTNBBNLB-AWEZNQCLSA-N 379.426 4.798 0 50 GJAA CCc1nccc(-c2c(-c3ccccc3)ncn2CCCc2ccccc2O)n1 65508374 HIUOSUXGYPOATP-UHFFFAOYSA-N 384.483 4.908 0 50 GJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cncn1C1CC1)C2 67947707 PDPHDJOSVDELJM-UHFFFAOYSA-N 395.890 4.639 0 50 GJAA Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3c(C)[nH]c4c(F)cccc34)[nH]c2c1 91746860 VVRRWXPKZCXLMQ-HXUWFJFHSA-N 390.462 4.706 0 50 GJAA CC(C)N(CCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1Cl)C(C)C 96027294 VCWHTDGKOCOWGM-NRFANRHFSA-N 388.939 4.695 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)COC3)cc1 299757142 NDLGCWBAYVUANT-QFIPXVFZSA-N 379.504 4.538 0 50 GJAA CN(C(=O)c1ccc(CN2CCCC2=O)cc1)[C@H]1CCCC[C@@H]1c1ccccc1 415983434 NSLMHVJAUGDTCX-PKTZIBPZSA-N 390.527 4.607 0 50 GJAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cc1Cl 1857708750 LVPAMXNLTWBEEK-TZIWHRDSSA-N 399.918 4.536 0 50 GJAA Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc([C@H](C)Sc2nccn2C)c1 2325803013 JFOHESCXSOAXHK-AWEZNQCLSA-N 383.521 4.681 0 50 GJAA Cc1cc(C)nc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 869164 KWPOBBVBZLOJAV-UHFFFAOYSA-N 375.497 4.649 0 50 GJAA COc1cccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)c1 1123656 SSWLETGZKJNHQP-UHFFFAOYSA-N 392.451 4.641 0 50 GJAA CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc23)c1 1165510 IELSOMLFFITRDB-UHFFFAOYSA-N 391.496 4.561 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 1460057 IVWIZPCIFDEDKA-LJQANCHMSA-N 389.451 4.757 0 50 GJAA Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2ccc(C)o2)cc1 2280185 UHKMONFGYAWZEL-OAQYLSRUSA-N 386.444 4.824 0 50 GJAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1C(F)(F)F 2848347 ZWBCRANTIKRLPV-UHFFFAOYSA-N 386.373 4.892 0 50 GJAA CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 2853122 JVXNZHXEIKCNBX-UHFFFAOYSA-N 390.936 4.742 0 50 GJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1Br 2979326 NTMLRCXJNRGEAM-UHFFFAOYSA-N 385.286 4.729 0 50 GJAA Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 3660397 DKQBULUTZALYTI-JOCHJYFZSA-N 390.870 4.832 0 50 GJAA C[C@@H](CC(=O)N[C@@H](CC(=O)O)c1ccc(OC2CCCC2)cc1)c1ccccc1 4689309 HTIMCRZFXNWJNF-JTSKRJEESA-N 395.499 4.834 0 50 GJAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2c[nH]c3ccccc23)c1 11769338 KSKKXEZBGKWGBA-HSZRJFAPSA-N 398.510 4.707 0 50 GJAA COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 15009924 GOBHCKXKLOGNBS-PXNMLYILSA-N 375.833 4.598 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)no2)cc1OC 36620355 MREGGJXFGHYPEI-LJQANCHMSA-N 392.455 4.645 0 50 GJAA CC(C)N1C[C@@]2(CCCN(c3nc4ccc(Cl)cc4s3)C2)CCC1=O 77451948 SGDJHXIQWPDNSQ-IBGZPJMESA-N 377.941 4.567 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC[C@]2(CC=CCC2)C1 230127006 HRYZQZNFKTYSSX-GBXCKJPGSA-N 392.547 4.638 0 50 GJAA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 239339068 LQRFBQYOWQVTGJ-IOBXNNCGSA-N 398.300 5.444 0 50 GJAA Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 442200938 NHBCHQCUSNZSMP-IBGZPJMESA-N 386.451 4.639 0 50 GJAA O=C(O)c1c(NCC[C@H]2CCCCN2C2CCCC2)noc1-c1ccccc1 1704310530 ZTCVMULAUBSJSY-GOSISDBHSA-N 383.492 4.639 0 50 GJAA O=C1C[C@@H](c2ccc(-c3ccc(-c4ncc(-c5ccc(O)cc5)o4)cc3)cc2)CN1 1875249536 ZSFKSMFPOWRDJY-OAQYLSRUSA-N 396.446 4.985 0 50 GJAA C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(=O)ccoc2c1 2325701141 OSRXQKVVTJNSPH-LLVKDONJSA-N 376.239 4.933 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC(C)(C)OC2 869743 AVZPERDWRIPGSP-UHFFFAOYSA-N 393.892 4.682 0 50 GJAA O=C(COc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl 957930 AOYVPPGIGMULCN-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc(C(C)=O)c1C 1107302 IJAPCPUFCPPVCX-JXMROGBWSA-N 391.876 4.741 0 50 GJAA CC(=O)Nc1nc(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(C)c12 1142317 GPJFJAFZFJXZMH-UHFFFAOYSA-N 387.464 4.856 0 50 GJAA CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 1195204 XRHGEBZQKWKJLE-UHFFFAOYSA-N 378.403 4.729 0 50 GJAA CCOC(=O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(C)cc1 4653396 RKVKDZDOTILYPW-INIZCTEOSA-N 380.271 4.726 0 50 GJAA Ic1ccc(CSc2nnc(-c3ccccc3)o2)cc1 4809065 CUKGVNQBBHGDQS-UHFFFAOYSA-N 394.237 4.634 0 50 GJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4986649 LZNWLQJPBZROKY-CQSZACIVSA-N 379.378 4.977 0 50 GJAA CN(c1ccccc1)c1ccc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 12307918 WCFIEXLQFBUCFA-HXUWFJFHSA-N 391.559 4.725 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N(C)Cc4csc(C)n4)csc3n2)cc1 12440093 AAFKJOPIKAXJIF-UHFFFAOYSA-N 396.541 4.662 0 50 GJAA CCn1nc(C)c(CNC2CCN(c3cccc(-c4ccco4)c3)CC2)c1C 23479066 VPIKNZCXZWNOMB-UHFFFAOYSA-N 378.520 4.538 0 50 GJAA Cc1ccccc1CC[C@@H]1CCCN(Cc2nnc(-c3ccc(C)n3C)o2)C1 72154848 IEEDQQKIHNWBQD-IBGZPJMESA-N 378.520 4.537 0 50 GJAA CCn1nc(C)c(-c2cccc(C(=O)N[C@H](C)c3ccc(O)c(F)c3)c2)c1C 299783139 QTVLUXYCXYTSSM-CYBMUJFWSA-N 381.451 4.523 0 50 GJAA Cc1ccccc1[C@H]1CC(c2cccs2)=NN1S(=O)(=O)c1ccccc1C 408525654 OHXKLQUIJMSNKJ-LJQANCHMSA-N 396.537 4.905 0 50 GJAA Cc1cccc(-c2nc(NNC(=S)NCc3ccccc3)nc3ccccc23)c1 408525676 QSWZOYGFQOUXIF-UHFFFAOYSA-N 399.523 4.596 0 50 GJAA C[C@]1(c2ccccc2)CCCN(C(=O)NCc2cc(O)nc3ccccc23)CC1 499310152 ULYSMNVIXGXHGN-DEOSSOPVSA-N 389.499 4.594 0 50 GJAA O=C(Cn1c2ccccc2c2cc(Cl)ccc21)N1CCC[C@@]2(CCC[C@H]2O)C1 1704340046 DXDITTYAELHYBB-GGAORHGYSA-N 396.918 4.602 0 50 GJAA COc1cccc(C2(NC[C@H](O)COc3ccc(C)cc3C)CCCCC2)c1 1875343989 AUTKIWYVINHJQK-NRFANRHFSA-N 383.532 4.501 0 50 GJAA C[C@H](Nc1nc(-c2ccccn2)nc2sccc12)c1ccc2nc(O)[nH]c2c1 1875362551 JSOVRQMSYBQLTF-NSHDSACASA-N 388.456 4.508 0 50 GJAA O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc(C2CCCCC2)cc1 1099248 HTJLOZMIJVLMFH-UHFFFAOYSA-N 390.435 4.880 0 50 GJAA COc1ccc(Oc2c(-c3ccc(O)c(C)c3O)n[nH]c2C(F)(F)F)cc1 1158290 VCEQBZWAUZQTKE-UHFFFAOYSA-N 380.322 4.616 0 50 GJAA COC(=O)c1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 1183139 HBWDUNBXFRZWES-FQEVSTJZSA-N 377.465 4.945 0 50 GJAA COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1Br 1193699 VCFUYTWVBQPUDF-UHFFFAOYSA-N 382.257 4.962 0 50 GJAA COc1ccc(N[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233918 FRMJRAVIBZXOMF-CQSZACIVSA-N 388.682 4.625 0 50 GJAA CCOC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2340068 AWDOGDZQJJJEPL-UHFFFAOYSA-N 384.526 4.892 0 50 GJAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2 2842867 JMDGCHJYJQRSLT-UHFFFAOYSA-N 384.284 4.637 0 50 GJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(-c2cccs2)s1 2843584 KENVJSFRNRXSAW-JTQLQIEISA-N 379.894 4.634 0 50 GJAA CSc1cccc(NC(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1 13328487 NTAPOSRAMRKNAF-UHFFFAOYSA-N 383.477 4.579 0 50 GJAA CN(CCc1ccccc1)Cc1ccccc1-c1nc(O)cc(C(F)(F)F)n1 23128677 KDDJSAMBQSJMES-UHFFFAOYSA-N 387.405 4.543 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@@H]1c1ccccc1Cl 35476394 QHJUKAIHHRUEGQ-QGZVFWFLSA-N 396.830 4.701 0 50 GJAA CCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccc(C)c(C)c3n2)cn1 63871639 JFRDWYMBFVPCTR-INIZCTEOSA-N 376.504 4.750 0 50 GJAA Cc1cccc(C)c1-c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 67975330 FFJVKAVSIYTGQS-HXUWFJFHSA-N 378.516 4.833 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@H](C)CN(C)C)cc(Cl)cc12 71749512 DJTWZUKXBHFTOG-CQSZACIVSA-N 383.923 4.611 0 50 GJAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc2ccccc12 95528738 GPSOPSXXUWTJPF-FQEVSTJZSA-N 383.499 4.567 0 50 GJAA O=C(c1ccoc1)N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1 109487053 KERXGKFAQYEDQJ-UHFFFAOYSA-N 392.242 4.656 0 50 GJAA CC[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(Br)cc1 125037323 CCVGOCVDRNOHNJ-OAHLLOKOSA-N 389.322 4.883 0 50 GJAA Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)c(C)n1-c1nccs1 170617316 HAWOBGCSRYGYDN-IBGZPJMESA-N 382.533 4.647 0 50 GJAA COC(=O)[C@]1(Cc2ccccc2)[C@H]2[C@@H]3[C@H]4[C@H]5C(=C6[C@@H]4[C@@H]4[C@H]3[C@H]1[C@@H]1CC[C@@H]6[C@@H]41)CC[C@H]52 257358265 SMXBRNWVWVAOTE-PCUATRQUSA-N 398.546 4.749 0 50 GJAA FC(F)Oc1cc(Br)cc(Br)c1OC(F)(F)F 263624917 VDWSFLQCGXRBJN-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA CCOc1c(Cl)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl 408261430 OTGRKHMJHQSBFS-SGTLLEGYSA-N 387.307 4.551 0 50 GJAA Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 442796135 FWUVJXRZTDKDIO-HNAYVOBHSA-N 393.405 4.563 0 50 GJAA Cn1c(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)ccc1-c1ccccc1 828163238 FGHXDFPARPMCMF-SFHVURJKSA-N 376.456 4.502 0 50 GJAA C[C@H](Nc1cnc2cc(Cl)c(Cl)cc2n1)c1ccc2nc(O)oc2c1 1458518357 SVKLZZPLPRLRTK-QMMMGPOBSA-N 375.215 4.957 0 50 GJAA O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[C@H](c2cc3ccccc3[nH]2)C1 1875332307 VYTQPURZGYINCU-INIZCTEOSA-N 390.874 4.841 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(c2ccc3ccccc3n2)CC1 2100473364 KFHLBHNOMKOMTR-UHFFFAOYSA-N 388.515 4.512 0 50 GJAA COc1ccc(-c2cc(CN3CCC[C@@H](OC)C3)cc(Cl)c2OC)cc1F 2356168656 AAHQDFGCAZHQGS-MRXNPFEDSA-N 393.886 4.774 0 50 GJAA Cc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1 830105 QAHRAIDMFCSIBF-UHFFFAOYSA-N 399.244 4.855 0 50 GJAA CCSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 830668 YWNVGUUTGTWJPW-JKIKYLSZSA-N 376.485 4.885 0 50 GJAA Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)oc2ccccc12 1055441 DSZZNTYNFPTENH-UHFFFAOYSA-N 388.389 4.722 0 50 GJAA COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 1110145 ZVDLKIMHJQEINO-UHFFFAOYSA-N 398.459 4.868 0 50 GJAA CCOc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)c1 1124111 RAYYCQUNCSGHHH-UHFFFAOYSA-N 387.892 4.509 0 50 GJAA COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 1142192 SNUNKORVGZGTHR-UHFFFAOYSA-N 383.300 4.746 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 2316166 GMLNONLEJNXLAZ-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc(C)c1C 3017376 PTBBDTRFPNVLDB-UHFFFAOYSA-N 383.922 4.926 0 50 GJAA COc1cc2c(cc1NC(=O)c1ccc(OC)c(OC)c1)oc1ccccc12 4722167 MHLIUETWJAGWRE-UHFFFAOYSA-N 377.396 4.864 0 50 GJAA biogenic Cc1ccccc1-n1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 4837253 CJMCEIVRECQZOW-ACCUITESSA-N 382.419 4.593 0 50 GJAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CCO)Cc1ccccc1 12432389 OBKBOKJMMYIRAO-UHFFFAOYSA-N 390.405 4.663 0 50 GJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2csc(C(C)C)n2)C1 12575787 BLYBWQZPHMMYQF-IBGZPJMESA-N 399.604 4.602 0 50 GJAA CCOC(=O)c1cnc2ccc(Br)cc2c1NCc1ccccc1 19792114 UFPPAGVYFFWERY-UHFFFAOYSA-N 385.261 4.786 0 50 GJAA CCc1ccc(CN(C)[C@H](c2ccccc2)c2nnnn2-c2ccccc2C)cc1 55447614 LYHJEACKGZESEW-XMMPIXPASA-N 397.526 4.755 0 50 GJAA CC(C)N(C)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2cc(F)ccc12 63856534 GUCUNTDADYREOL-UHFFFAOYSA-N 380.467 4.609 0 50 GJAA COc1ccc2cc(CN3CCC(CO)CC3)c(-c3ccc(Cl)cc3)nc2c1 72473614 FVUYDRHUHUJYRD-UHFFFAOYSA-N 396.918 4.768 0 50 GJAA Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCOc4ccccc43)c2)cn1 170626735 DIGLOEAWRWFTHK-QFIPXVFZSA-N 388.467 4.613 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1cnncc1C 198032512 UNHFPOQPEFMRBZ-UHFFFAOYSA-N 383.168 4.841 0 50 GJAA COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 225496140 QVYADPRRXRJNHA-INIZCTEOSA-N 377.444 4.573 0 50 GJAA CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c(C)c1 888094372 QDRZADIISJRLHO-FXAWDEMLSA-N 383.536 4.732 0 50 GJAA CSc1ccc2nc(N3CCC[C@@H](OCc4ccccn4)C3)cc(C)c2c1 1506401904 OKOHQWXQTAORLO-GOSISDBHSA-N 379.529 4.846 0 50 GJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(NCc4ccc(C)s4)c3)C[C@@H]21 1704344194 QJYJFCPUKZJSQX-RZFNWQHOSA-N 398.572 4.682 0 50 GJAA O=S(=O)(Nc1ccccc1C1=NCCc2ccccc21)c1ccc(Cl)cc1 676021 CQWZRPAIUHNKCY-UHFFFAOYSA-N 396.899 4.534 0 50 GJAA COc1ccccc1C(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 820641 NFTWXGFERUXIAW-INIZCTEOSA-N 387.694 4.542 0 50 GJAA CCc1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 1002530 XAIGYMMXNKDJSL-UHFFFAOYSA-N 395.484 4.585 0 50 GJAA Cc1cccc(C)c1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 1120332 BHSUSLFWQLSBPO-UHFFFAOYSA-N 391.467 4.696 0 50 GJAA COC(=O)c1sc(-c2ccccc2)cc1NC(=O)/C=C/c1ccc(OC)cc1 1157328 YGNRTIMZQCVSMI-JLHYYAGUSA-N 393.464 4.862 0 50 GJAA COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 1181371 BVELROMQNGKZPC-RUDMXATFSA-N 381.284 4.528 0 50 GJAA Cn1cc(C2(c3cn(C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21 4998358 YVPQVMQWRNTXNZ-UHFFFAOYSA-N 391.474 4.957 0 50 GJAA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc3cccc1c23 5496796 FTUOFHGOGJGQAB-UHFFFAOYSA-N 382.371 4.819 0 50 GJAA in-vitro COc1cccc(-n2c(S)nnc2CSCc2ccc(F)cc2Cl)c1 6398692 ZTGFRLIWNOFPBT-UHFFFAOYSA-N 395.912 4.791 0 50 GJAA C[C@H](CC1(C)CC1)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 11879533 ZINXVEPUMNSXIH-LJQANCHMSA-N 384.564 4.735 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1 12297288 LJSJYWOJIZLLKH-QFIPXVFZSA-N 388.515 4.712 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1 12459719 GJYDKQRFUWKACK-QGZVFWFLSA-N 379.481 4.890 0 50 GJAA Cc1nc(C)c(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)s1 12597569 LDYJMFZKVPWHAU-QGZVFWFLSA-N 398.507 4.528 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 13326149 RVJGBJVBRFRHDI-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA COc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 15070613 MNCSTLIYSKFGAB-INIZCTEOSA-N 383.442 4.743 0 50 GJAA O=C(c1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19597041 MTYBMAFFPUINEA-UHFFFAOYSA-N 390.914 4.887 0 50 GJAA CCCN(Cc1ccc(SC)cc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95375446 JCBVDDRWEZPLQL-OAQYLSRUSA-N 382.573 4.928 0 50 GJAA O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCC(c2ccccc2)CC1 95521388 FUDKAXBHWMXHNF-HXUWFJFHSA-N 380.488 4.656 0 50 GJAA COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccccc2OC)c1 241897241 TWYHSOUGSVEKBD-LJQANCHMSA-N 392.480 4.757 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN3CCCC[C@H]23)cc1 824827500 CMZRLZYQEIHRCR-WOJBJXKFSA-N 380.488 4.691 0 50 GJAA CSc1cccc(NC(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c1 824944216 KGQCILFQDISERV-LJQANCHMSA-N 386.517 4.500 0 50 GJAA C[C@H](NC(=O)c1ccnnc1)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 825533943 HATNPMXIAOGNNX-ONQFPYBPSA-N 395.934 4.787 0 50 GJAA O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)c(C(F)(F)F)c1 1294954270 OFSXWBXBWBTQDO-UHFFFAOYSA-N 394.393 4.941 0 50 GJAA CC1(c2cccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)c2)CC1 1875336127 SOFBLGDBVCAPAB-UHFFFAOYSA-N 398.256 4.859 0 50 GJAA CC[C@H]1c2ccsc2CCN1CC(=O)NC[C@H](C)c1nc2ccccc2s1 1875390955 ZIBIHIGPKKFFOA-YOEHRIQHSA-N 399.585 4.587 0 50 GJAA O=C(NCc1cccnc1)c1cccc(COc2ccc(Cl)cc2Cl)c1 1144434 JDMCUFQRACMJOU-UHFFFAOYSA-N 387.266 4.897 0 50 GJAA COc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1OC 4499375 YDEYLMXQPSAGCC-UHFFFAOYSA-N 384.476 4.622 0 50 GJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccco1 5090831 CAWWYQORQPIIFB-UHFFFAOYSA-N 377.425 4.523 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12314037 KPTCINQYYOMBPQ-GOSISDBHSA-N 392.430 4.577 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 12579594 ICTXIEVYZYLXAY-JOCHJYFZSA-N 379.500 4.771 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](N(C)Cc2ccccc2)C1 19228194 KHOPXJAHYACDRP-LJQANCHMSA-N 381.545 4.808 0 50 GJAA Cc1cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC1CCOCC1 161264034 LVXVMVJIIYCAAP-HNNXBMFYSA-N 388.895 4.645 0 50 GJAA COC(=O)c1ccc([C@@H]2O[C@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)cc1 242649011 RRDRXWGBAPJIMR-BPXKWBHBSA-N 382.456 4.636 0 50 GJAA CC1=C[C@H](C)[C@@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C 299872775 HNJMMPWWHNRBHV-CSHMYSCJSA-N 397.559 4.622 0 50 GJAA C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 1875349907 SEHAUVLCVZSARQ-LLVKDONJSA-N 376.243 4.790 0 50 GJAA COc1cccc2[nH]c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc12 2325822624 FMDAKYURHISOSN-UHFFFAOYSA-N 384.863 4.514 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 637473 KVOILRVSIMOGCR-ZDUSSCGKSA-N 377.271 4.602 0 50 GJAA Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1C 911079 PHUNHSXROCDOLH-AWEZNQCLSA-N 377.724 4.903 0 50 GJAA COc1ccc(Cc2nnc(Nc3ccccc3)s2)cc1Br 985741 QENOTYYZSDMQNZ-UHFFFAOYSA-N 376.279 4.644 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 1002399 ORUPXWFIFZMHMP-JTQLQIEISA-N 392.471 4.529 0 50 GJAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cncc(Br)c1 1182870 IWWWZHLBCHEIBN-UHFFFAOYSA-N 394.700 4.740 0 50 GJAA CCOc1cc(C=O)cc(Br)c1OCCOc1c(C)cccc1C 2866702 RVKDNOIJXSTCER-UHFFFAOYSA-N 393.277 4.735 0 50 GJAA COc1ccc(Cl)cc1Nc1nc(NC[C@@H]2CCCO2)c2ccccc2n1 2876568 RTECYYUXOIJBGJ-AWEZNQCLSA-N 384.867 4.626 0 50 GJAA Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)oc2cc1C 2954435 BWJWBPDIWFAPTO-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA COc1cc(-c2nc(CN(C)[C@H](C)c3nc(C)cs3)c(C)o2)ccc1F 11815249 XKHSWQMQYSKYGO-GFCCVEGCSA-N 375.469 4.756 0 50 GJAA C[C@@H](NC(=O)c1cc(COc2ccc(F)cc2F)on1)c1ccc(Cl)cc1 12585296 FITPGHBZJNCLPR-LLVKDONJSA-N 392.789 4.676 0 50 GJAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 12706333 CLBXALCPZRFTRU-SFHVURJKSA-N 385.891 4.646 0 50 GJAA Cc1sc(NC(=O)COc2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 13569893 CPJNBRZWQPOMSO-UHFFFAOYSA-N 382.529 4.937 0 50 GJAA Cc1n[nH]c(C)c1CN(C)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 15074064 NDPZZVIDTMELMN-IBGZPJMESA-N 397.906 4.566 0 50 GJAA Cc1cccc([C@H]2CCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1 20899916 UMWREGRLYIXAFZ-GOSISDBHSA-N 396.441 4.830 0 50 GJAA Cc1ccnc(-c2ccc(C(=O)NCC3(N4CCCCC4)CCCC3)cc2)c1 426690710 QDRMXNNAWDXCAG-UHFFFAOYSA-N 377.532 4.586 0 50 GJAA O=C(O)c1c(Cl)c2ccccc2n1Cc1cc(Br)ccc1F 1875376470 XYWGNUMKPXCQPS-UHFFFAOYSA-N 382.616 4.943 0 50 GJAA O=C(Nc1ccc(N2CCc3sccc3C2)cc1)N1CCC12CC(CF)C2 2325797449 ZEMQKONGEFIJLL-UHFFFAOYSA-N 385.508 4.667 0 50 GJAA Cc1c(NC(=O)COc2ccccc2Cl)cccc1-c1nc2ncccc2o1 1049616 VUEGOKWSPWGRDH-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1cccc2cccnc12 1121873 OAPNKVYJKZKSPI-UHFFFAOYSA-N 378.453 4.661 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 2744402 ZQDGQAWPZWWMNH-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA COc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c1 4811188 SYMXLGOLNQSVFZ-RBUKOAKNSA-N 384.863 4.508 0 50 GJAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)C1CCC1)C2 11786223 BBTWZPJQSJRKBE-OAQYLSRUSA-N 386.495 4.738 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(C)[nH]c4ccccc34)C2)c(OC)c1 12074919 JROJDGNPVQRXAG-QGZVFWFLSA-N 392.499 4.588 0 50 GJAA O=C(NCc1ccccc1)[C@H]1CC12CCN(Cc1cccc3ccccc13)CC2 14879415 CTNPGCIWMJAERS-XMMPIXPASA-N 384.523 4.758 0 50 GJAA CCc1ccccc1NC(=S)NCCCn1nc(C(F)(F)F)cc1C1CC1 17081043 RZRQXNSDIDDHOR-UHFFFAOYSA-N 396.482 4.718 0 50 GJAA CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 19879479 UMYIKNMTSDABDC-XLNRJJMWSA-N 376.500 4.593 0 50 GJAA COc1cc(CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)ccc1O 20911395 JUFFLAOQLOMYJB-QFIPXVFZSA-N 381.497 4.907 0 50 GJAA Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@@H]3CC[C@H](C2)N3C)c1 100539921 PYLSWXYTNIMYDR-VSGJHWFKSA-N 376.544 4.614 0 50 GJAA Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3O)c2C(F)(F)F)cc1 172110623 DMQDUYJCEUZLCY-UHFFFAOYSA-N 395.768 4.811 0 50 GJAA COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1 239309741 HUVLGXCTVIMPTE-UYGSHGSRSA-N 384.472 4.867 0 50 GJAA Cc1nc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2ccc(F)cc2)s1 888103835 CMNHVWKMGGUSMD-UHFFFAOYSA-N 379.460 4.711 0 50 GJAA Cc1cccc([C@@H](C(=O)Nc2cccc(NC(=O)CC(C)C)c2C)N(C)C)c1 952970440 CFODYCIQQBUXQR-QFIPXVFZSA-N 381.520 4.529 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)ccc1N1CCOCC1 952978076 ASVGOQGFFMKZGO-HXUWFJFHSA-N 398.572 4.521 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(CC3CCC(F)(F)CC3)C1)CC2 1857693161 KTZOISIRCBLCHH-NRFANRHFSA-N 393.522 4.585 0 50 GJAA COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccc(Cl)cc2s1 2325853079 CMGGOJUSFIQFHJ-HNNXBMFYSA-N 379.909 4.797 0 50 GJAA COC(=O)Cn1c2c(c3cc(C)ccc31)CCC[C@H]2N[C@H](C)c1ccccc1 978480 IPVYABONDHEMAS-DYESRHJHSA-N 376.500 4.851 0 50 GJAA Cc1cccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1C 995043 IHGCSDSZSHPWGD-UHFFFAOYSA-N 384.523 4.784 0 50 GJAA CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 1109242 YXNJMURRDMKQHW-UHFFFAOYSA-N 377.440 4.925 0 50 GJAA COc1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1217818 VFKULGGJUSBJOA-UHFFFAOYSA-N 393.283 4.750 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 1424255 BFNRBQXBRYDVKQ-RBBKRZOGSA-N 391.858 4.986 0 50 GJAA CCCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 1781042 QRGFUNAYIYRJPO-UHFFFAOYSA-N 375.852 4.705 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(C)cc1)CC2 2825698 OXHAMQHOSWNYJL-XMMPIXPASA-N 387.479 4.800 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 4832351 JJEFQAZFQUQLSF-UHFFFAOYSA-N 395.802 4.911 0 50 GJAA CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 4843078 ATCYPPCYMCDDLS-UHFFFAOYSA-N 380.488 4.600 0 50 GJAA Cc1cccc(-c2nc(CN3CCC(OCc4cccnc4)CC3)c(C)o2)c1 11661593 CMJCQESDSPQXAK-UHFFFAOYSA-N 377.488 4.535 0 50 GJAA Cc1ccc(C)c(-n2cc(CNCC3CCOCC3)c(-c3ccccc3)n2)c1 15065273 BZKIPKFYERXZOB-UHFFFAOYSA-N 375.516 4.672 0 50 GJAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1c1ccccc1 36360277 MVGPDFOCUGGZGI-DHIUTWEWSA-N 395.462 4.717 0 50 GJAA C/C(I)=C/C[C@H]1C(=O)O[C@H]2[C@H]3[C@@H]4C(=CCC[C@@]43C)CC[C@H]12 71786579 QNMYWQVKNZFFDE-FMFNCFRZSA-N 398.284 4.639 0 50 GJAA COC(=O)c1cncnc1/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1 170612939 PNOFEQWAYJCFIW-VOTSOKGWSA-N 391.374 4.576 0 50 GJAA O=C(c1cccc([C@H]2CCCNC2)c1)N(Cc1ccccn1)C1CCCCC1 215494201 XXZFEVOYJWULDK-NRFANRHFSA-N 377.532 4.524 0 50 GJAA CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@H]1C 239222112 UJRIBUDZMNUBLS-QGENPCKLSA-N 383.532 5.037 0 50 GJAA COc1ccc(-c2ccc(C(=O)NC[C@@H](C(C)C)N3CCCC3)cc2)c(C)c1 426512112 KCSHSESDVMYZRQ-QHCPKHFHSA-N 380.532 4.521 0 50 GJAA O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)C1CCN(CC(F)F)CC1 494104050 AKMXOADBNAFNOC-UHFFFAOYSA-N 395.453 4.817 0 50 GJAA Cc1oc2cc(Br)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C 623678 FDHSRIBXXJFEAJ-UHFFFAOYSA-N 383.238 4.630 0 50 GJAA biogenic O=C(COc1ccc2ccccc2c1Br)NCCC1=CCCCC1 671279 KLVTZRSJCHVERP-UHFFFAOYSA-N 388.305 4.988 0 50 GJAA CCOc1ccccc1NC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 724070 LZNUVNUIUUGCBP-UHFFFAOYSA-N 375.424 4.865 0 50 GJAA COC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 1150894 BRJMLOIKEOQEKQ-LTGZKZEYSA-N 387.435 4.661 0 50 GJAA CCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 1183292 XJBBFJCPIQDOBS-UHFFFAOYSA-N 375.906 4.840 0 50 GJAA Cc1ccc(C(=O)COC(=O)c2ccc(-c3cnc4ccccc4n3)cc2)cc1C 2279240 WNVAJYOQNPKIIF-UHFFFAOYSA-N 396.446 4.953 0 50 GJAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 2840785 BHVRWVAFMBYJGQ-UHFFFAOYSA-N 383.473 4.599 0 50 GJAA Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3C(=O)c3ccccc32)cc1 4818967 HABJWTMJQUIKSY-UHFFFAOYSA-N 376.459 4.778 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)c(C)c1 11873153 GQZWUMCBRFWDQE-FQEVSTJZSA-N 398.547 4.851 0 50 GJAA C/C=C(\C)CN1CCC(C(=O)Nc2cccc(-c3cccc(OC)c3)c2)CC1 11944261 QDROVGZQNSDJHF-JJPRUIFNSA-N 378.516 4.979 0 50 GJAA Cc1ccc(C(=O)N(Cc2cccc(OCc3ccccn3)c2)C2CC2)s1 12152606 UQSZTNDLWMQJCZ-UHFFFAOYSA-N 378.497 4.835 0 50 GJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c1C 12195232 OLUCXESUFISVLE-FQEVSTJZSA-N 381.520 4.674 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cccc(SC)c3)C2)cc1OC 14962130 KJGHXEBKQLDFLQ-SFHVURJKSA-N 385.529 4.521 0 50 GJAA C/C=C(\C)CN1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 15067051 JMMSBZIRLZCNII-KZVITGMHSA-N 378.516 4.979 0 50 GJAA CCOc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19794531 JXVZUBYPGJNNGL-UHFFFAOYSA-N 386.495 4.896 0 50 GJAA COc1ccc(C)cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19812525 AVFLLBXUQWGXSR-UHFFFAOYSA-N 386.495 4.814 0 50 GJAA CCCn1cnnc1Cn1cnc(-c2ccccc2)c1-c1ccccc1OCC 65417488 YGUQSKOSYIRDRD-UHFFFAOYSA-N 387.487 4.666 0 50 GJAA COc1ccccc1[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1noc(C)n1 119863622 COIJNFCUOHQYRE-LJQANCHMSA-N 394.475 4.595 0 50 GJAA CCOc1ccc(CN(CCCn2ccnc2)c2nc3c(F)cccc3o2)cc1 1458249604 YKJOVPVHBWPFJE-UHFFFAOYSA-N 394.450 4.659 0 50 GJAA COC(=O)c1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 1084557 YYTLYYPVAYFHRP-UHFFFAOYSA-N 390.508 4.872 0 50 GJAA COc1ccc(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 1114429 PTCJAULZCKNTTP-UHFFFAOYSA-N 375.490 4.510 0 50 GJAA Cc1cc(Br)c(NC(=S)NC(=O)c2cccc(Cl)c2)cc1C 1152225 UWPGLPXCMQEKEB-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 2937523 QYELFVCAPSVJIX-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 4555596 DYWZVLBUEKUOCL-OAHLLOKOSA-N 382.316 4.862 0 50 GJAA COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C 4842000 CRJJQLMCSSWUQM-HNNXBMFYSA-N 398.528 4.684 0 50 GJAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(Cc2ccc(COC)o2)C1 12206404 ASMKLRRDEVPTGO-QQRRWSATSA-N 397.515 4.675 0 50 GJAA Cc1cc(Cl)c2oc(C(=O)N3CCC[C@H](OCc4cccnc4)C3)c(C)c2c1 12449415 SUXAYYRCIOCWPR-KRWDZBQOSA-N 398.890 4.919 0 50 GJAA Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccn(C)n3)cc(C(F)F)c12 20615070 VDBWQDVAMBGSJL-UHFFFAOYSA-N 387.821 4.780 0 50 GJAA COCc1nn2c(-c3cccc(OC)c3)ccnc2c1-c1ccc(Cl)cc1 67630572 RFPDRHJKTBKDRE-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA COc1cc(Cl)ccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173670 XQJYQMDBBLKTKC-QFIPXVFZSA-N 392.886 4.874 0 50 GJAA CCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 148437578 IGLOECGNNWCUAU-UHFFFAOYSA-N 390.698 4.993 0 50 GJAA CC(=O)c1c[nH]c(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 170617295 CVDJOKXOAQNYIT-ZDUSSCGKSA-N 379.256 4.697 0 50 GJAA Cc1nc(-c2cccc(C(=O)N3CCC(c4ccncc4)CC3)c2)sc1C 299765735 CITWXVMISCJWAE-UHFFFAOYSA-N 377.513 4.842 0 50 GJAA C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1nc2ccccc2[nH]1 921198031 HDHYBQZDPODIER-OAHLLOKOSA-N 393.450 4.664 0 50 GJAA CC(C)COC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 633839 DDWNEQZKCMITHO-UHFFFAOYSA-N 383.488 4.814 0 50 GJAA CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 638826 LXDNIYSOJYHMMN-UHFFFAOYSA-N 397.906 4.935 0 50 GJAA COc1ccccc1-c1c[n+]2c(n1-c1ccc(Br)cc1)CCCCC2 639236 JVINFFSHNJNNPG-UHFFFAOYSA-N 398.324 4.929 0 50 GJAA CCc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc1 1061348 ZIXZWXBCAPJQDR-GOSISDBHSA-N 392.421 4.661 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 1847778 HJJLYCUYHRHUIM-UHFFFAOYSA-N 397.681 4.973 0 50 GJAA O=C(O)CCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 2391704 SGFYVVYWQGGISK-UHFFFAOYSA-N 379.456 4.512 0 50 GJAA in-vitro COc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c(C=O)cc1C=O 5073361 NNAJOFALWMPKPI-QFIPXVFZSA-N 384.435 4.676 0 50 GJAA COc1ccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c(Cl)c1OC 11762320 OTNLDWARHDEPAZ-KRWDZBQOSA-N 378.875 4.573 0 50 GJAA CN(Cc1c[nH]c2ccccc12)CC1CCN(CCc2ccc(F)cc2)CC1 12593285 OFGJYGWHXPPANT-UHFFFAOYSA-N 379.523 4.694 0 50 GJAA Cc1cccn(C(=O)c2ccc(Cl)cc2)/c1=N/C(=O)c1ccc(Cl)cc1 17078639 WYXZAWSHPURRKR-PTGBLXJZSA-N 385.250 4.533 0 50 GJAA Cn1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)n1 20602964 XMTNBHCCDIMRDM-UHFFFAOYSA-N 383.377 4.775 0 50 GJAA Fc1ccc(CC[C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)cc1 71614303 PFZLRLXPHSFXHE-OAQYLSRUSA-N 381.539 4.530 0 50 GJAA CCc1nc(CN2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cs1 71760995 USUAAQSQDRWVSH-FQEVSTJZSA-N 375.557 4.577 0 50 GJAA CCc1oncc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71764666 QPSVXVZSNQRXKV-AWEZNQCLSA-N 380.410 4.741 0 50 GJAA C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)[C@@H](O)CCC1OCCCO1 71786197 OMMSCPDCVWIERB-ALKREAHSSA-N 384.607 4.593 0 50 GJAA O=C(Nc1ccc(Sc2ccccc2)c(Cl)c1)N1CCC[C@@H](CO)C1 123510894 ZDJMDALOPRVGQG-CQSZACIVSA-N 376.909 4.727 0 50 GJAA O=C1c2ccccc2[C@@H](C(=O)n2ccnc2)C2(CCCCC2)N1c1ccccc1 170622120 ZEMYNVKGIBUBAD-NRFANRHFSA-N 385.467 4.670 0 50 GJAA CCCCc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CCNC4)C3)cc2)cc1 426412758 KKTJVJIGAFMTMV-VWLOTQADSA-N 376.544 4.912 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2ccc(C)cc12 626848 JAYFMGAHJPOYCB-UHFFFAOYSA-N 376.239 4.962 0 50 GJAA Cc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 847586 UUCUQECFXDFQRZ-UHFFFAOYSA-N 389.274 4.783 0 50 GJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 956368 BQIIWKOVXZWVSO-UHFFFAOYSA-N 389.451 4.728 0 50 GJAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cncc(Br)c1 977552 MZIDOGWEFYHHFK-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 1460056 IVWIZPCIFDEDKA-IBGZPJMESA-N 389.451 4.757 0 50 GJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc(-c2cccs2)s1 2843586 KENVJSFRNRXSAW-SNVBAGLBSA-N 379.894 4.634 0 50 GJAA COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OC(C)C)cc1 4501722 SMNMSSRMVGRFGD-UHFFFAOYSA-N 394.427 4.580 0 50 GJAA COc1ccc(Cl)cc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1 9357551 ZGUMDHFSUKONRW-UHFFFAOYSA-N 381.823 4.581 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(OC)cc3)c(C)o2)cc1 12592475 WGWGCPTVZKIVKB-HNNXBMFYSA-N 394.471 4.638 0 50 GJAA O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19827571 XHQJYSCHUQBXDN-DQEYMECFSA-N 396.534 4.724 0 50 GJAA Cc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 20149626 WXSAXWOVVXRQKS-CCEZHUSRSA-N 386.495 4.535 0 50 GJAA O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccccc2Cl)CC1 44933000 VLLIPBNVPBVEMJ-JOCHJYFZSA-N 382.935 4.746 0 50 GJAA Cc1cccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc12 63845957 NZLHCTTZDIFESW-MRXNPFEDSA-N 376.504 4.786 0 50 GJAA Cc1ccc2nc(-c3cnn(C(C)C)c3)c(C)c(C(=O)N3CCCCC3)c2c1 63883031 AXQOXUNGWGYDGW-UHFFFAOYSA-N 376.504 4.922 0 50 GJAA CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1 72126440 NVCOIOAIBLFEFX-HNNXBMFYSA-N 394.437 4.503 0 50 GJAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc21 172194506 GPGFDVNPRPZXJZ-ZDUSSCGKSA-N 390.409 4.655 0 50 GJAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCCSc2ccc(Cl)cc21 176766605 YWUQLLBFLMFHFZ-UHFFFAOYSA-N 385.867 4.620 0 50 GJAA C[C@@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)c1ccccc1)[C@H](C)[C@H]32 239235615 WIFNCGJZNHYSGP-OYTNXUJUSA-N 392.495 5.045 0 50 GJAA CCc1sc(=O)n(CC(=O)N2c3ccccc3CC[C@H]2C)c1-c1ccccc1 498871931 KUNQBKVTFZFSKO-MRXNPFEDSA-N 392.524 4.507 0 50 GJAA c1ccc2oc(C3CCN(Cc4cc(CN5CCCC5)cs4)CC3)nc2c1 670441162 YGRSOUTVCSXMEW-UHFFFAOYSA-N 381.545 4.865 0 50 GJAA O=C(c1cc2ccccc2n1CC1CC1)N1CCC(c2ccccc2CO)CC1 1875262483 FPZPMVWBNWNDNL-UHFFFAOYSA-N 388.511 4.563 0 50 GJAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC(C)(C)OC2 820774 UVNFDSVGARAWBV-UHFFFAOYSA-N 390.530 4.585 0 50 GJAA COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 830079 KXJCTOLOHIKYSP-UHFFFAOYSA-N 376.437 4.930 0 50 GJAA COc1ccc([C@@H](NC(=O)C(C)C)c2c(OC(C)=O)ccc3ccccc23)cc1 855824 DTBUQHMWBIFJMN-HSZRJFAPSA-N 391.467 4.635 0 50 GJAA CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 954542 SYAAZUXPUQRGMU-CYBMUJFWSA-N 378.266 4.642 0 50 GJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(Br)cc1 1180356 VPXDKACEZOWJHQ-UHFFFAOYSA-N 385.286 4.729 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 2827127 AKMWGEBAOLJYCR-UHFFFAOYSA-N 375.266 4.830 0 50 GJAA CCOC(=O)c1nocc1C(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 3047153 QMSGPLVSZUKAQT-UHFFFAOYSA-N 396.786 4.544 0 50 GJAA CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1 3626943 HETRQTLKVFABGG-RDTXWAMCSA-N 389.879 4.565 0 50 GJAA C[C@@H](c1ccon1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 11818411 LPFDATRGAHMYHQ-NSHDSACASA-N 386.864 4.537 0 50 GJAA COc1ccc(CC2(CO)CCN(Cc3cccc(-c4ccco4)c3)CC2)cc1 20776678 MBGUAXXJIBWMRE-UHFFFAOYSA-N 391.511 4.772 0 50 GJAA Cc1ccccc1CN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 67758045 UTXCWRIETIFANU-UHFFFAOYSA-N 388.826 4.627 0 50 GJAA O=C(CCC1CCCCC1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 72437239 VPNVPFXLBYZWGL-UHFFFAOYSA-N 390.491 4.705 0 50 GJAA Cc1cccnc1[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)C(C)C 115691940 VXWNZIOYJPIWMU-OAQYLSRUSA-N 380.536 4.529 0 50 GJAA CCOc1ccc(OCC)c(-c2c(C)n(O)c(CC)c(-c3ccccc3)[n+]2=O)c1 136087835 VOGXAZCEMFUHOE-UHFFFAOYSA-N 395.479 4.642 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc12 170612611 VBCOOWYVMAQPAG-SFHVURJKSA-N 379.847 4.594 0 50 GJAA CCCn1c(C)c(C(=O)N2CCC(c3ccncc3)CC2)c2cc(OC)ccc21 192290219 IKVJBGJJSSXVEZ-UHFFFAOYSA-N 391.515 4.783 0 50 GJAA Cc1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccn3)n(C)c2c1 215902551 JFMCMZASRXVZFT-UHFFFAOYSA-N 383.495 4.767 0 50 GJAA CC(C)Cc1ccccc1C(=O)NCc1ccc(COC2CCOCC2)cc1 252501748 UJGBBCHFGVUYDP-UHFFFAOYSA-N 381.516 4.511 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@@H]1C[C@]1(C)C(C)C)CC2 476411838 QDMJPKBOOBDSKQ-GRYUFTJMSA-N 393.527 4.860 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)C[C@H](C(C)C)O1 1875251622 HSSVQKQCLVMRAM-RHSMWYFYSA-N 397.441 4.638 0 50 GJAA Cc1nn(C)c(NC(=O)Nc2ccc(OCC(F)F)cc2)c1-c1ccccc1 1875303513 BQNAHMSGZPPWJK-UHFFFAOYSA-N 386.402 4.683 0 50 GJAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1C 677105 KHBYJYMKZWFFHC-UHFFFAOYSA-N 386.517 4.623 0 50 GJAA O=C1C[C@H](c2ccccc2I)c2c(ccc3ccccc23)N1 821058 LQGRDIQGBQPPRB-OAHLLOKOSA-N 399.231 4.919 0 50 GJAA CC(C)OC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 943452 VFVHYSGJFISXRN-UHFFFAOYSA-N 382.243 4.576 0 50 GJAA O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 1190798 XFGAEZWWPLMHQG-UHFFFAOYSA-N 394.268 4.729 0 50 GJAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1196816 UQHLEKBUOBGXPN-UHFFFAOYSA-N 398.304 4.784 0 50 GJAA COc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 2859633 YGDVTAHJGKUURS-GOSISDBHSA-N 390.483 4.564 0 50 GJAA Cc1ccc(N2C(=N)S/C(=C\c3c[nH]nc3-c3ccc(F)cc3)C2=O)cc1C 5601509 DHZZOGIJTNETPO-OAYSZFDTSA-N 392.459 4.888 0 50 GJAA c1ccc(-c2cn[nH]c2C2CCN(Cc3cccn3-c3nccs3)CC2)cc1 11787550 NYHMCICHMTUMFY-UHFFFAOYSA-N 389.528 4.704 0 50 GJAA Cc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 12072913 NPYSDQPBVSCUTI-OAQYLSRUSA-N 381.907 4.563 0 50 GJAA COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CNC2CCCC2)c1 12097294 FRJYSHUQGIIWMR-UHFFFAOYSA-N 392.499 4.960 0 50 GJAA C[C@@H](CN1CCC(CCC(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 12430183 BIUOEDWSPATXTM-NRFANRHFSA-N 378.560 4.941 0 50 GJAA Cc1c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cnn1-c1ccccn1 14981553 ADAUSJVRSYAYSY-SFHVURJKSA-N 396.494 4.585 0 50 GJAA CCC[C@H]1C[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67433386 QOFJVGVXXUEIKF-HNAYVOBHSA-N 385.891 4.870 0 50 GJAA CC12C[C@@H]3C[C@H](C1)CC(c1ccc(O)c(C45C[C@H]6C[C@@H](CC(C)(C6)C4)C5)c1)(C3)C2 239352347 ABVHSVLVSDFEQG-OPGWDEGJSA-N 390.611 7.108 0 50 GJAA Cc1ccc([C@H]2CC(c3ccccc3F)=NN2S(=O)(=O)c2ccccc2)cc1 252497273 QCUNOVHPMGGZNB-JOCHJYFZSA-N 394.471 4.674 0 50 GJAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)C3=CCCCC3)csc2C1 426574683 HANIHNXBLNRGTA-AWEZNQCLSA-N 399.560 4.530 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cn1 824827606 ONSPHMSQDSPNMW-QGZVFWFLSA-N 392.455 4.905 0 50 GJAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 952971881 ADSKKWLJSOEDTI-INIZCTEOSA-N 395.528 4.505 0 50 GJAA O=C(O)C12CC(CN3CCC(c4ccc(Cl)cc4Br)CC3)(C1)C2 2325793399 SNBOGXBIHUGBRF-UHFFFAOYSA-N 398.728 4.537 0 50 GJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)c1nc3ccccc3nc12 1020369 IFLXSOWFCLCCJF-PKTZIBPZSA-N 375.447 4.737 0 50 GJAA COc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC 2999154 BRQZANZYVWDDNL-UHFFFAOYSA-N 389.757 4.637 0 50 GJAA O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3109632 VGXCCFFIBVLTGN-CQSZACIVSA-N 378.086 4.878 0 50 GJAA COc1cccc2cc(-c3cn4c(n3)sc3cc(Cl)ccc34)c(=O)oc12 4755012 QMFNTDDSHSUHFA-UHFFFAOYSA-N 382.828 4.984 0 50 GJAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@H]1c1cccc(OC)c1 11820352 DUGCUBWPYUBKDR-XMMPIXPASA-N 386.499 4.541 0 50 GJAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cn(C2CCCCC2)nn1 11953806 ZWSXZDRNWWBWIY-UHFFFAOYSA-N 390.487 4.848 0 50 GJAA CC[C@H](C)Sc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 15723216 FUYGNNMZBFXUJL-INIZCTEOSA-N 380.513 4.728 0 50 GJAA CC(C)(C)SCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19953220 YJNQKXDRWUPFEP-UHFFFAOYSA-N 382.573 4.506 0 50 GJAA CCn1c(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)nc2ccccc21 20869569 SEQHGUCCQYAZIW-SFHVURJKSA-N 393.556 4.873 0 50 GJAA FC(F)(F)Cn1ccnc1CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 328594615 ZAPPFIUFBJVALT-HAQNSBGRSA-N 378.225 4.788 0 50 GJAA Clc1ccccc1-c1nnc(SCc2nncs2)n1C1CCCC1 915322797 UNROBJXPMXSPEZ-UHFFFAOYSA-N 377.926 4.857 0 50 GJAA CCCOc1c(Cl)cc(C(=O)OC[C@H](C)CC2CCOCC2)cc1OC 1875357353 CXOXEIZLMQEVSQ-CQSZACIVSA-N 384.900 4.747 0 50 GJAA O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 645406 UUIMGJZPNJQYJD-UHFFFAOYSA-N 385.609 4.568 0 50 GJAA CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 1061204 FXZXTABSWBVKIJ-UHFFFAOYSA-N 387.892 4.602 0 50 GJAA CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O 1134096 ARKIIDCJFUSGPQ-UHFFFAOYSA-N 392.363 4.796 0 50 GJAA biogenic Cc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1Br 2860672 GMFNPTRUNQYJDT-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA COCCn1c(-c2ccc(Br)cc2)nc(=S)c2c1CCCC2 2865572 CRLJLEJPSCEAQU-UHFFFAOYSA-N 379.323 4.567 0 50 GJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 2879306 BUHCEFHKUMRUQN-INIZCTEOSA-N 385.423 4.810 0 50 GJAA C[C@H](CC(=O)N[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1)c1ccccc1 4689322 HTIMCRZFXNWJNF-VGOFRKELSA-N 395.499 4.834 0 50 GJAA CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 6359098 RWJMFZXCDFMRDY-UHFFFAOYSA-N 383.469 4.598 0 50 GJAA COc1ccc([C@H](CC(=O)N(C)Cc2csc(C)n2)c2ccccc2)cc1 11841423 UXNSECMLLQRPEX-OAQYLSRUSA-N 380.513 4.641 0 50 GJAA CCCN(Cc1ccc(SC)cc1)Cc1ccc(Sc2nncn2C)o1 55036016 PQQLZZOKEULVDD-UHFFFAOYSA-N 388.562 4.693 0 50 GJAA CCn1cc(-c2cc(C(=O)N(Cc3cccnc3)C(C)C)c3ccccc3n2)cn1 63846909 CNAFNODFKUTDQR-UHFFFAOYSA-N 399.498 4.564 0 50 GJAA Cc1noc(C)c1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67907951 ASFKHMKNGSQHTQ-UHFFFAOYSA-N 384.863 4.712 0 50 GJAA Cc1noc(C)c1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95382396 ZQOJJFWUCJHGIB-NRFANRHFSA-N 379.548 4.526 0 50 GJAA CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc(-c3ccc(C)cc3)o2)C1 95510198 GIMOAXLTZIKQQC-FQEVSTJZSA-N 391.515 4.810 0 50 GJAA COc1cc([C@H](C)Nc2ccnc(C3CC3)n2)ccc1OCc1ccncc1 110236324 QYSIBVOUXXQEPG-HNNXBMFYSA-N 376.460 4.510 0 50 GJAA CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 252458396 FJRXLIOAIYSABX-DYVFJYSZSA-N 382.485 4.861 0 50 GJAA COC(=O)[C@@]1(Cc2ccccc2)[C@@H]2[C@H]3[C@H]4[C@H]5C(=C6CC[C@@H]7[C@H]6[C@@H]5[C@H]3[C@@H]71)[C@@H]1CC[C@@H]2[C@H]41 257358266 SMXBRNWVWVAOTE-VSCZEPKRSA-N 398.546 4.749 0 50 GJAA CC1(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 309683583 AFMLUKXMCIVXBQ-FQEVSTJZSA-N 379.456 4.559 0 50 GJAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 426633851 IEGDHWQJWFHQBJ-HXUWFJFHSA-N 377.488 4.651 0 50 GJAA Cc1cc(C)n(CCCNC(=O)c2ccccc2NCc2ccccc2Cl)n1 482043121 WWINDOVIUTUDND-UHFFFAOYSA-N 396.922 4.586 0 50 GJAA O=C(OC[C@H]1CSc2ccccc2O1)c1ccc(Oc2cccnc2)cc1 749082778 FRYVAOZLCBLXHX-SFHVURJKSA-N 379.437 4.584 0 50 GJAA COc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)ccnc1F 1875343061 OWSMXVOLYVMTKX-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@@H]3C[C@H]32)cc1 2325862406 SQQBEZWNFPGETP-WSCWJOSJSA-N 392.499 4.927 0 50 GJAA COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 727284 PAKGUAHMFYICHS-NRFANRHFSA-N 378.859 4.828 0 50 GJAA CC1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 1059673 HUTKQXLOHFIPDL-UHFFFAOYSA-N 393.512 4.796 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 1092484 MRCIOTLSCARHFQ-ZCOIRKDISA-N 393.486 4.956 0 50 GJAA biogenic COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)c(Cl)c1 1182575 PMHOJWWUDDROCP-UHFFFAOYSA-N 384.888 4.937 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 1212477 ORMZEFLKTWGZBG-XLIONFOSSA-N 388.389 4.607 0 50 GJAA COC(=O)CN1C(c2ccccc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 1771661 DBHHSWIOPFUDSE-JOCHJYFZSA-N 390.870 4.996 0 50 GJAA C[C@H]1CCc2c(sc3nc(S[C@@H](C)C(=O)Nc4ccccc4)nc(N)c23)C1 2311538 SOEHJUIKOFJQBH-RYUDHWBXSA-N 398.557 4.518 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCCCC1 2832422 WFEOOIMVAOELLL-JLHYYAGUSA-N 399.947 4.857 0 50 GJAA COc1cc(CNCc2cccnc2)ccc1OCc1ccc(F)cc1Cl 4413612 XLOAFJWUPDBVBR-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA CCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 4733318 NCNXKGDOUIJZEX-UHFFFAOYSA-N 387.439 4.609 0 50 GJAA COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 4853947 MGNCWMZKPRYJJK-RDPSFJRHSA-N 386.451 4.946 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)c(OC)c1 12057669 LTVWQUBOPLRVCL-GOSISDBHSA-N 399.516 4.851 0 50 GJAA Cc1ccc(CNc2nc(CN(C)[C@@H](C)c3ccon3)nc3ccccc23)cc1 14882979 CPAMDNLXIUEJJW-KRWDZBQOSA-N 387.487 4.731 0 50 GJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(CC=C(C)C)CC2)c1 15071815 SFBLVGWFBXROCI-UHFFFAOYSA-N 378.516 4.979 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@H](N(C)Cc2ccccc2)C1 19228196 KHOPXJAHYACDRP-IBGZPJMESA-N 381.545 4.808 0 50 GJAA Cc1nc2ccccn2c1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C 19958437 LLFKQJXJGPMZML-UHFFFAOYSA-N 380.879 4.892 0 50 GJAA CSc1ccc(CN(C(=O)c2cccc(-c3noc(C)n3)c2)C2CC2)cc1 55327967 WUEJVEXHMMPYJG-UHFFFAOYSA-N 379.485 4.572 0 50 GJAA CCc1cc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)nc(C)n1 67921728 RLRGOWNORBWLKD-UHFFFAOYSA-N 395.890 4.772 0 50 GJAA Cc1cccc2cc(C(=O)N3CCC(c4nccn4CC4CCC4)CC3)oc12 91254284 ZMXVQXQYWVRPFO-UHFFFAOYSA-N 377.488 4.758 0 50 GJAA CCc1nc(CCNc2nn3cc(-c4ccc(F)cc4)nc3s2)sc1C 170616616 MWJVNGQBEYAIEV-UHFFFAOYSA-N 387.509 4.579 0 50 GJAA Cc1ccc(NCc2ccc(N(C)C(C)C)nc2)cc1OCC1CCOCC1 191179323 SBBBSYRFRJZYIQ-UHFFFAOYSA-N 383.536 4.652 0 50 GJAA CC1(C)CCC[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226945841 IIEBWIODSAFCFC-QHCPKHFHSA-N 379.456 4.559 0 50 GJAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 246077390 JXDAYTOYPPGWCQ-MTNOOBJLSA-N 375.459 4.599 0 50 GJAA Clc1ccc([C@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 263619423 YPKXZDSWAWAOQF-MRXNPFEDSA-N 384.848 4.587 0 50 GJAA c1ccc2[nH]c(C3CCN(Cc4cc(CN5CCCC5)cs4)CC3)nc2c1 952960189 HSAJOZGNSSXLPY-UHFFFAOYSA-N 380.561 4.600 0 50 GJAA COc1c(S(=O)(=O)Nc2cccc(Cl)c2C)ccc(Cl)c1Cl 1776004380 QJUWHZTXFSPDJG-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@@H](c1ccc(Br)cc1)C1CC1 2325841691 DHLSQZHBIYGJFR-HRAATJIYSA-N 388.349 4.649 0 50 GJAA Clc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 633995 VYCJGBJBVBQXLR-CVEARBPZSA-N 389.684 4.840 0 50 GJAA Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Br 678931 RLBWOQWQTKQOQB-UHFFFAOYSA-N 389.274 4.631 0 50 GJAA Cc1cc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1Br 1109336 WLTYLBUBHJYFMT-UHFFFAOYSA-N 390.321 4.964 0 50 GJAA O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccsc1 2585880 FQLMDOMRTRHLFX-FQEVSTJZSA-N 393.464 4.803 0 50 GJAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)C(c1ccccc1)c1ccccc1 3353115 MJVQXSAJYOHJMA-QFIPXVFZSA-N 388.511 4.755 0 50 GJAA O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 4674711 GUTAUNPEIUHBQG-UHFFFAOYSA-N 382.529 4.870 0 50 GJAA COc1cccc(N2CCN(C(=S)Nc3cc(Cl)cc(Cl)c3)CC2)c1 7326049 SIXSCQPJXWIVJQ-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 11813578 ZLLRBLVVVWQFEP-OAHLLOKOSA-N 396.487 4.869 0 50 GJAA Cc1[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn2c(=O)c1Cl 17838046 MRQFGSCMTVLZFX-UHFFFAOYSA-N 384.266 4.896 0 50 GJAA COc1c(Cl)cccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101358028 VQGVKQAXIFRDAM-NRFANRHFSA-N 392.886 4.874 0 50 GJAA COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1OC 244898896 ZDNWPEVWMMJZJR-GMDNEQJLSA-N 379.456 4.699 0 50 GJAA Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)no1 247818124 FKZJHPIVFIBZSK-YESZJQIVSA-N 385.533 4.759 0 50 GJAA COc1ccc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1O 479572808 DNNHJGWOCXHNHD-UHFFFAOYSA-N 384.457 4.564 0 50 GJAA COc1cccc2c1[C@H](NC[C@@H](O)Cc1ccc3ccccc3c1)C[C@@H](C)C2 1875345098 RYQJPCUMQHGXJV-PDIWNELESA-N 375.512 4.665 0 50 GJAA Cc1ccc(Sc2c(C)nn(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 625355 BNAWCLZNFQXSKL-UHFFFAOYSA-N 392.933 4.850 0 50 GJAA CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 641261 TVLBQGOKZAJIAF-OAQYLSRUSA-N 393.556 4.858 0 50 GJAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(N)=O)C1 651814 UQHDLYYJJJIRGN-ZDUSSCGKSA-N 388.533 4.850 0 50 GJAA O=C(NC1CCCCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 865981 NPYPPDWCUIABSE-SJORKVTESA-N 392.425 4.606 0 50 GJAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1c(-c2ccccc2)noc1C 2763736 UQBOAAXOHIIONF-UHFFFAOYSA-N 386.455 4.764 0 50 GJAA COc1cccc([C@@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)c1 11873787 CDBRJLGCLCRBPF-NRFANRHFSA-N 377.488 4.591 0 50 GJAA Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cccc3ncccc23)c1 12320705 PCYUHRXZZYGLPM-JOCHJYFZSA-N 390.437 4.866 0 50 GJAA Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCC(C)CC2)o1 15860333 BRQQKLZYMKYMAJ-PQCJFMQRSA-N 384.564 4.694 0 50 GJAA COc1cc(OC)c(CN2CCCC[C@H]2c2cccnc2)cc1Br 22023288 APWRCHCJBPFIFW-KRWDZBQOSA-N 391.309 4.589 0 50 GJAA CCc1nn2c(nnc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccccc1 40388372 OQJPQXITUDZARC-UHFFFAOYSA-N 387.487 4.564 0 50 GJAA Cc1ccc(-c2nc(N(C)Cc3ccncc3C)ncc2-c2ccncc2)cc1 65426694 LSVXYPRLNABASN-UHFFFAOYSA-N 381.483 4.854 0 50 GJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)n3cccc3)cc12 71738904 GHDZGIZXTFZYGA-INIZCTEOSA-N 375.447 4.961 0 50 GJAA CC(=O)Nc1ccc(-c2nc3ccccc3nc2-c2ccc(NC(C)=O)cc2)cc1 71767104 DLPQGJXOLODBAG-UHFFFAOYSA-N 396.450 4.881 0 50 GJAA COC[C@H]1CCCN1Cc1cc2ccc(C)cc2nc1-c1ccc(OC)cc1 72473446 DHDVEYPDBNFLJA-OAQYLSRUSA-N 376.500 4.830 0 50 GJAA COc1ccc(CC(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC 169773698 HMEKJEFBQJEWNI-KRWDZBQOSA-N 398.890 4.575 0 50 GJAA O=C(O)C1CC(c2ccc(OCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 170091404 ZNMMKGRJBMSBCJ-UHFFFAOYSA-N 384.819 4.547 0 50 GJAA CCOC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 194338772 UYPCLYXUVULAHJ-UHFFFAOYSA-N 384.524 4.511 0 50 GJAA Cc1ccc(Cl)cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 252537149 KLGARMJQRKYXAC-UHFFFAOYSA-N 382.847 4.732 0 50 GJAA Cc1cnc(C)c(-c2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1 426627817 PRWFULNCINIUPQ-FQEVSTJZSA-N 375.447 4.529 0 50 GJAA COc1ccc(-c2nsc(NC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)n2)cc1 1775974991 AMVHZZCJMOXLJM-YPMHNXCESA-N 398.315 4.743 0 50 GJAA O=C(O)c1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)c2ccccc2c1 2325783730 XPEXHOGGTURJRR-VXKWHMMOSA-N 387.479 4.553 0 50 GJAA CCOc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1 663892 YPEWLOYUFJTSCF-UHFFFAOYSA-N 377.440 4.925 0 50 GJAA Cc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 722927 CHTGMURFICQZTP-UHFFFAOYSA-N 390.874 4.872 0 50 GJAA CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 947603 UAADDXRLYGLGQD-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccncc1 1000074 KVXSIQZZOCVVBS-UHFFFAOYSA-N 375.259 4.502 0 50 GJAA COc1ccc([C@H](O)[C@H](Nc2ccc(C)cc2)c2nc3ccccc3n2C)cc1 1185717 KZLKEGZICQIGRC-GOTSBHOMSA-N 387.483 4.777 0 50 GJAA CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 1778033 QJSYWIIZSBYHFO-JLHYYAGUSA-N 399.512 4.854 0 50 GJAA CCOC(=O)COc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(C)=O 2365504 DZRHRVLNWTYPEM-UHFFFAOYSA-N 383.831 4.700 0 50 GJAA COc1cccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c1 2827322 IKHRYYSIHDKBJY-UHFFFAOYSA-N 386.451 4.639 0 50 GJAA Cc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C(=O)NC(C)C)cc1 2962446 MHRLWMVSKGQFRR-UHFFFAOYSA-N 393.512 4.752 0 50 GJAA COc1ccc(C)cc1NC(=O)CSCc1ccc(Br)cc1 4828615 FWLDBLZNUACXMG-UHFFFAOYSA-N 380.307 4.638 0 50 GJAA CN(Cc1ccccc1)C(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 5063760 DUXNUQYCIUXCFM-LOSJGSFVSA-N 385.511 4.618 0 50 GJAA Cc1oc(-c2ccc(F)cc2F)nc1CN(CC1CCC1)C[C@@H]1CCCO1 12200361 UGMLEHRJPAOUII-KRWDZBQOSA-N 376.447 4.709 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3ccon3)c(-c3ccc(F)cc3)n2)cc1 14973172 DLLOZODICKDDQS-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1 19854019 RNSCHTVBGXTIEM-UHFFFAOYSA-N 380.344 4.508 0 50 GJAA Cc1n[nH]c(C)c1CCNCc1cc2ccc(F)cc2nc1-c1ccsc1 19939443 DANSRBHVCHXZLX-UHFFFAOYSA-N 380.492 4.775 0 50 GJAA COc1cccc(C[C@]2(CO)CCCN(Cc3c(C)[nH]c4ccc(C)cc34)C2)c1 20454209 YIGNJQRTZMPWHA-RUZDIDTESA-N 392.543 4.611 0 50 GJAA O=C(NCCCc1ccccn1)c1ccc([C@H]2CCCN2C2CCCC2)s1 23368748 LAACPXMTXQHRMM-LJQANCHMSA-N 383.561 4.585 0 50 GJAA Cc1ccc(F)cc1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccccn2)c1 65424390 KYMSZNHYFRGPGW-KRWDZBQOSA-N 377.463 4.974 0 50 GJAA Cn1c(=O)oc2ccc(NC(=O)c3cc(-c4ccccc4)ccc3Cl)cc21 110271956 DKMXEDKZVZXSIX-UHFFFAOYSA-N 378.815 4.704 0 50 GJAA Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)sc2cccc(F)c12 155270478 IVEISJGKIMBXBE-HNNXBMFYSA-N 397.519 4.699 0 50 GJAA CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 174805203 IYELOIBNMLZPHR-LBPRGKRZSA-N 382.386 4.655 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 239274647 AMPROBWNLJZHSM-GMAHTHKFSA-N 390.870 5.591 0 50 GJAA O=C(COc1cccc2c1ccn2Cc1ccccc1)Nc1ccc(Cl)cn1 253402165 GCUVCVUCNASDQT-UHFFFAOYSA-N 391.858 4.756 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612310 HZUUHCXBSGFHDC-GVFSAQFSSA-N 376.537 4.750 0 50 GJAA FC(F)(F)c1cc(Oc2ccc(-n3cccn3)cc2)nc(-c2ccncc2)n1 301386903 CXBIWRKAXWSTRB-UHFFFAOYSA-N 383.333 4.535 0 50 GJAA Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2ncncc2Cl)cc1 302672393 SBLFGPCLKPTLNB-UHFFFAOYSA-N 377.835 4.787 0 50 GJAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 426384008 WWRACIGJWGYHLP-JOCHJYFZSA-N 376.500 4.877 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C1)CC2 2356147121 IXOXYSBRGYSNKP-HSZRJFAPSA-N 389.524 4.634 0 50 GJAA CCOc1ccc(CCNC(=O)c2cc3ccccc3cc2OC)cc1OCC 718336 TYJLYHZTAROUHH-UHFFFAOYSA-N 393.483 4.618 0 50 GJAA biogenic CCOC(=O)[C@H](Oc1cc2c3c(c(=O)oc2cc1C)CCCC3)c1ccccc1 1050215 ZFDGWFYLGOOSDK-JOCHJYFZSA-N 392.451 4.663 0 50 GJAA O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCCc1ccccc1 1072981 KFHLBJPFDIEEAN-UHFFFAOYSA-N 388.511 4.763 0 50 GJAA O=C(OCC(Cl)=C(Cl)Cl)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1 1085193 WMZRRXZKVKUQSA-OLZOCXBDSA-N 388.678 4.636 0 50 GJAA CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC(C)C 2085373 XJWBIUBCHLRGDI-DHZHZOJOSA-N 375.465 4.975 0 50 GJAA Cc1cc(F)ccc1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 2796496 KZAYZDUTHCUBKI-UHFFFAOYSA-N 393.340 4.638 0 50 GJAA O=C(COc1ccccc1F)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 2844268 OYTRBVJIAQAPSN-UHFFFAOYSA-N 398.246 4.669 0 50 GJAA C[S@@](=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 3815700 CDMGBJANTYXAIV-MHZLTWQESA-N 377.444 4.682 0 50 GJAA biogenic,in-vivo CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 4578089 WCRGXBRYORWHRO-KSVHXXFXSA-N 397.968 4.622 0 50 GJAA CC(=O)c1cccc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)c1 15073587 QGGQGXQMDSUABH-UHFFFAOYSA-N 392.543 4.540 0 50 GJAA CCC(=O)N[C@H](N(Cc1ccccc1)Cc1ccccc1)C(Cl)(Cl)Cl 19300966 UWHQJNFTVYCSSP-GOSISDBHSA-N 399.749 4.911 0 50 GJAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ncoc1-c1ccccc1 72469867 DFZCCTHPBWAVEP-UHFFFAOYSA-N 375.453 4.737 0 50 GJAA Cc1cc(C(=O)Nc2nn(-c3cccc(F)c3)c3cccc(OC(C)C)c23)on1 77554931 BQEQXAFMXZVYMO-UHFFFAOYSA-N 394.406 4.501 0 50 GJAA C=CC(=O)Nc1cc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)ccc1F 136598510 IUHOAELFOZENRM-UHFFFAOYSA-N 395.459 4.943 0 50 GJAA CC1(C)CN(C(=O)Nc2ccc(Oc3ncccn3)cc2)CC[C@@H]1C(F)(F)F 242292571 YNIRFHKNYHFZNH-HNNXBMFYSA-N 394.397 4.711 0 50 GJAA O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1 253370510 RURQTQFJRQFMPK-YTCXQOMBSA-N 389.495 4.603 0 50 GJAA O=C(NCCc1cccc(O)c1)c1ccc(-c2ccccc2OC(F)(F)F)o1 444243408 AMHDKLLAJFGQNY-UHFFFAOYSA-N 391.345 4.523 0 50 GJAA CCOc1ccc2nc(SCc3cc(C(=O)OC)sc3Cl)[nH]c2c1 2325863821 XZOOADJSXMDUDS-UHFFFAOYSA-N 382.894 4.755 0 50 GJAA Cc1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 634630 VVCYTFXGRRGFPO-UHFFFAOYSA-N 387.555 4.870 0 50 GJAA COc1ccc(O[C@@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 719098 GKPLVSYLGAWFIO-YADHBBJMSA-N 377.415 4.678 0 50 GJAA CC[C@@H](C(=O)Nc1ccc(I)cc1C)c1ccccc1 997983 ONNNAKKHUSRECI-OAHLLOKOSA-N 379.241 4.732 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C)cccc2C)cc1 1110614 FVJPSIMJIATOSM-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA CCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 2971012 ILHIDIOARSPNII-UHFFFAOYSA-N 395.240 4.641 0 50 GJAA C[C@@H](C[S@@](=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072764 NBLZNHXBNSAFNA-DCFHFQCYSA-N 377.553 4.995 0 50 GJAA CN(C)C(=O)c1cc(-c2cnc(-c3c[nH]c4ccccc34)nc2)nc2ccccc12 19771133 ULUQRVBDMNSKBW-UHFFFAOYSA-N 393.450 4.542 0 50 GJAA Cc1ccc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)cc1C 71315740 YDZKMGHCMNHVFM-UHFFFAOYSA-N 376.504 4.505 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71759408 QPLHHSAZWBUELT-MRXNPFEDSA-N 395.453 4.840 0 50 GJAA O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1csc(-c2ccccc2)n1 170593176 CPMQMKKQNYXNHE-UYAOXDASSA-N 378.497 4.708 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 215555072 RBKSONRVZKGBMO-GOSISDBHSA-N 390.508 4.854 0 50 GJAA CN(CC(F)(F)F)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 225504741 RWMXOTKHQXORES-QBFSEMIESA-N 386.373 4.949 0 50 GJAA CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1C 435370416 ISJYSTHKKOCZSD-UHFFFAOYSA-N 395.484 4.607 0 50 GJAA Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)c2C)no1 838676788 UDOUQRHKAAAEJD-UHFFFAOYSA-N 377.366 4.970 0 50 GJAA COc1cccc(-c2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)o2)c1 952978466 CMUXWOUXEZJQHN-FQEVSTJZSA-N 393.439 4.765 0 50 GJAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC([C@@H](O)c2cccs2)CC1 1506396242 QOZJQJFVVZTQJI-JOCHJYFZSA-N 393.508 4.707 0 50 GJAA Cc1cnccc1-c1ccc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)s1 1875264163 HWSZURPGOQCUIF-INIZCTEOSA-N 398.528 4.671 0 50 GJAA CCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN(C)C)cc1 2325863063 TZTJJMGSVRSDOU-UHFFFAOYSA-N 380.488 4.968 0 50 GJAA Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 729840 ORNOAOYHVNRDKI-INIZCTEOSA-N 394.418 4.764 0 50 GJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 812283 NSMXRCRPALVFNO-AWEZNQCLSA-N 383.854 4.705 0 50 GJAA CCCc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 1168670 KJXNESIIFGCVGM-UHFFFAOYSA-N 386.452 4.853 0 50 GJAA COc1ccc(Cl)cc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2288782 KXQUOKBEJPYQCX-MRXNPFEDSA-N 380.875 4.930 0 50 GJAA CC[C@H](C)NC(=S)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C 2793948 QJQAUZRZPPLXNL-NSHDSACASA-N 384.471 4.652 0 50 GJAA O=C(CSCc1ccc(Br)cc1)NCCSc1ccccc1 2871984 ZAEGOHIWCNXNQS-UHFFFAOYSA-N 396.375 4.591 0 50 GJAA CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 2891222 CNQWQVVAYOEEPJ-GOTSBHOMSA-N 375.468 4.758 0 50 GJAA CSc1cccc(NC(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)c1 12196303 LWJVZWZTLOCMMR-HXUWFJFHSA-N 383.561 4.579 0 50 GJAA CN(Cc1ccccn1)C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 12305134 WDTOKHMICFGVOG-NRFANRHFSA-N 380.875 4.621 0 50 GJAA CNC(=O)c1ccc([C@@H]2CCCN2Cc2cnc(-c3ccccc3)s2)s1 23380107 VBCQMGOFTSTGKT-INIZCTEOSA-N 383.542 4.568 0 50 GJAA Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 44198368 KOLKKDFRPXLKCC-JOCHJYFZSA-N 387.435 4.659 0 50 GJAA COC[C@H](C)N(Cc1ccc(SC)cc1)C(=O)Nc1c(F)cccc1F 97675403 JQEYEDPSPGIIOE-ZDUSSCGKSA-N 380.460 4.756 0 50 GJAA C[C@]1(C(=O)O)CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 135550186 CCLBVWVASLVDGH-OFNKIYASSA-N 379.456 4.559 0 50 GJAA Cc1c(C(=O)Nc2cccc3c2OCCO3)oc2cc(Br)ccc12 334162879 STWWWEJOOQNYPX-UHFFFAOYSA-N 388.217 4.527 0 50 GJAA COc1ccc(Nc2nnc(-c3nc(-c4ccc(C)cc4)oc3N)s2)cc1 1857798752 ADHVBPZVULLCOI-UHFFFAOYSA-N 379.445 4.503 0 50 GJAA C[C@@H]1Cc2cccc(O)c2N(C(=O)c2cc(Oc3ccccc3)ccc2O)C1 1875322784 HWKYZWIREZBYBE-OAHLLOKOSA-N 375.424 4.729 0 50 GJAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@]12CCCC[C@@H]1OCC2 2325839164 KQZJKLMVXWTIMD-GMAHTHKFSA-N 394.540 4.897 0 50 GJAA CCc1nc(N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c2scc(C)c2n1 2325862210 MYWYOPJHAFEASU-MRXNPFEDSA-N 391.544 4.889 0 50 GJAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1cncc(Br)c1 945178 ZKBQSQAFODIGCD-UHFFFAOYSA-N 383.245 4.675 0 50 GJAA Cc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(Br)c1 951473 ZBPYLXYSHLJVSF-UHFFFAOYSA-N 391.290 4.693 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)cc1 1225925 ZRKUNPONQAFOKU-FGEXJBCWSA-N 379.459 4.566 0 50 GJAA biogenic COc1ccc(CNCC[C@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 4006314 BWDBVIZIEPZRRP-DNRQZRRGSA-N 380.576 4.764 0 50 GJAA Cc1cc(Br)c(NC(=O)c2sc3ncccc3c2N)cc1C 10010151 MTUMGGWKQRJFGH-UHFFFAOYSA-N 376.279 4.510 0 50 GJAA C[C@@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1cccc2ccccc12 11772663 ZGGJNXDNAJSQNY-VEGGFIAOSA-N 382.467 4.636 0 50 GJAA CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cs1 12479314 GWHLIUGMZAAABX-LJQANCHMSA-N 391.492 4.839 0 50 GJAA Sc1nnc(CSCc2ccccc2)n1-c1ccc(Br)cc1 17080084 RIPCXFVRULBRHK-UHFFFAOYSA-N 392.347 4.752 0 50 GJAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Cc1ccccc1Cl 18256109 OMYZSEWCIAOYNJ-MYNGYRLFSA-N 399.877 4.732 0 50 GJAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67678287 ATIGJKUHYVMHFE-PTSWNOGYSA-N 395.886 4.646 0 50 GJAA Clc1ccc(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169817921 PYZBTMCRYLRNFF-UHFFFAOYSA-N 384.982 4.592 0 50 GJAA Fc1ccc2nc(C3CCN(Cc4ccc([C@H]5CCCCO5)o4)CC3)[nH]c2c1 952988776 PROJYKXFOPZXLB-HXUWFJFHSA-N 383.467 4.916 0 50 GJAA O=C(O)c1ccc(F)c(CNCc2cccc(OCc3ccccc3F)c2)c1 1777676735 BVGMLQHPVYOHLT-UHFFFAOYSA-N 383.394 4.532 0 50 GJAA c1ccc(-c2cc3c(NCCc4cccc5c4OCCO5)ncnc3s2)cc1 2325854302 WSETUKNPDIFYGT-UHFFFAOYSA-N 389.480 4.784 0 50 GJAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 832896 FHKLUTDTYBZNKL-MRXNPFEDSA-N 385.423 4.810 0 50 GJAA O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc2ccccc12 1110868 JVZQOOBTTFYPSX-UHFFFAOYSA-N 399.475 4.955 0 50 GJAA CCCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1230159 DQUNFUCBLTVCRU-UHFFFAOYSA-N 375.472 4.725 0 50 GJAA Clc1ccc(OCCCN2CCc3ccccc3C2)c(Br)c1 2845186 KYTDTOWJJXVFDV-UHFFFAOYSA-N 380.713 4.930 0 50 GJAA CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c2ccccc12 4667179 OUUYOAJSUQNJQT-MRXNPFEDSA-N 381.497 4.769 0 50 GJAA COc1ccc(-c2c(Cc3ccccc3)nn(-c3ccccc3)c2N)cc1OC 5073850 KOIOCRKAXPEEET-UHFFFAOYSA-N 385.467 4.730 0 50 GJAA CCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 6143676 MPVUPCXXEPASHN-UHFFFAOYSA-N 391.496 4.673 0 50 GJAA O=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1cccs1 6697393 CFFNZPJFJZVUJM-UHFFFAOYSA-N 377.425 4.629 0 50 GJAA O=C(CCC1CCN(Cc2ccc([C@H]3CCCCO3)s2)CC1)N1CCCC1 12455202 YSEUGPXATDUROE-HXUWFJFHSA-N 390.593 4.604 0 50 GJAA c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)nc1 19810735 MMQMBUPFCYDOMY-RUZDIDTESA-N 381.479 4.646 0 50 GJAA CCn1c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)nc2ccccc21 20119471 MEOZWIWVNWRDLA-QGZVFWFLSA-N 381.907 4.805 0 50 GJAA O=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71439896 JSSJZOTXHCZCSC-OAQYLSRUSA-N 386.495 4.651 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1nccnc1OC 169835192 MEKPDHIMYRRQFX-UHFFFAOYSA-N 399.167 4.541 0 50 GJAA Cc1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 170593864 CUEXLORTMCGJOL-GOSISDBHSA-N 378.394 4.743 0 50 GJAA Cc1cccn2cc(CNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)nc12 170624947 KPXGIHOWKNAQFY-GOSISDBHSA-N 386.499 4.600 0 50 GJAA CC[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 187072798 DMQXMIVNJYDZQS-HXUWFJFHSA-N 386.542 4.650 0 50 GJAA O=C([C@@H]1CCOC2(CCC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 889852187 ITRSBTWIRGCGAP-QGZVFWFLSA-N 381.438 4.761 0 50 GJAA COc1ccc(NC(=O)c2cccnc2-c2ccc([C@H](C)OC)cc2)c(OC)c1 1506413656 KNXWBFAZVLYBFJ-HNNXBMFYSA-N 392.455 4.726 0 50 GJAA C[C@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccncc2)cs1 1875256259 URVGMTGPBXOFND-CVEARBPZSA-N 392.528 4.744 0 50 GJAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 1875395954 QVUKIDXWSAQQDR-AJTFRIOCSA-N 388.577 4.601 0 50 GJAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc4ccccc4s3)C2)[C@@H]2CCCC(=O)N12 2356134441 MSIPWMVVLVLMIX-RDGPPVDQSA-N 396.556 4.543 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccnc1 848976 SIGDJZLLWWKCSR-UHFFFAOYSA-N 386.238 4.893 0 50 GJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 955026 PVJVIUZZWDRHSO-MDWZMJQESA-N 387.435 4.689 0 50 GJAA CCCc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1 1002586 KUEYDUWQMUQEIY-UHFFFAOYSA-N 375.497 4.687 0 50 GJAA aggregator COc1ccc(CCC(=O)Nc2cc(C)nn2Cc2cccc3ccccc23)cc1 1429206 SQAIHAZJJPIVQJ-UHFFFAOYSA-N 399.494 4.973 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1CCCC2 1779466 FVJGIXGQKUXJGD-UHFFFAOYSA-N 387.501 4.601 0 50 GJAA COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCc1ccccc1C 2082339 KUUSSPHZHHCSAJ-STZFKDTASA-N 399.446 4.927 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4cccc(Cl)c4)c3)no2)cc1 2797737 FDKIHXQWAZVHBL-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA Cc1ccc(NC(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)cc1Cl 11838735 CLHQESFBWVVXBA-QFIPXVFZSA-N 386.923 4.806 0 50 GJAA CCC(CC)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 11964234 LEBHJEKEQDODTK-INIZCTEOSA-N 389.492 4.613 0 50 GJAA Cc1ccccc1-c1cn2c(C(=O)N(C)[C@@H](C)c3ccccn3)csc2n1 12316984 YVXKZCGNEBZEGZ-HNNXBMFYSA-N 376.485 4.599 0 50 GJAA O=C1O[C@H](/C(=C\Nc2ccc(Oc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 18066653 FUMVHXULYBNZFV-UKQGIEBLSA-N 388.379 4.921 0 50 GJAA COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc(C)nc3)CC2)n1 191744990 YFUWIGLRDBUVMK-UHFFFAOYSA-N 393.512 4.542 0 50 GJAA CC(C)c1ccc(NC(=O)N(CCCn2ccnc2)Cc2cccnc2)cc1 299759239 CWVWMXYMALERAX-UHFFFAOYSA-N 377.492 4.526 0 50 GJAA c1ccc2sc(N3CCN(Cc4ccc([C@@H]5CCCO5)s4)CC3)nc2c1 820420191 HBHHGZUJYCMVTJ-KRWDZBQOSA-N 385.558 4.532 0 50 GJAA Cc1nn(C)c(C)c1CN(C(=O)c1cccc(-c2ccccc2F)c1)C1CC1 1506396274 CEBKQNYANABOSA-UHFFFAOYSA-N 377.463 4.648 0 50 GJAA c1cc2cc(c1)OCCN(Cc1ccncc1)CCCCN1CCCC[C@@H]1CC2 1857698530 WOEZKPUWCNCFHW-XMMPIXPASA-N 393.575 4.544 0 50 GJAA Cc1sc(-c2cccnc2)nc1NC(=O)c1cccn1-c1ncccc1Cl 1875256059 SITMUXCHHXOACC-UHFFFAOYSA-N 395.875 4.605 0 50 GJAA COc1ccc([C@@H](C)C(=O)Nc2scc(C3CCCCC3)c2C(N)=O)cc1 2325727563 CUYRDWQRFQECIS-CYBMUJFWSA-N 386.517 4.646 0 50 GJAA CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cc(Cl)ccc1OC 702218 UWJPVPOFIVQXOV-UHFFFAOYSA-N 386.835 4.826 0 50 GJAA Cc1ccc(SCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 2866798 PORPYAAMEPOKLN-UHFFFAOYSA-N 381.501 4.574 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 2869025 JKPBDPWBQOMQAC-UHFFFAOYSA-N 390.483 4.854 0 50 GJAA Cc1ccccc1NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 4761331 GLJLNXXYKYVLMX-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Br)cc1 5063212 BBCVTRDVGUNPQH-QGZVFWFLSA-N 377.669 4.800 0 50 GJAA CC[C@@H](Nc1ccc(-c2nc(COc3ccccc3)no2)cn1)c1ccncc1 11822117 UPOPSZKKBXYWCZ-LJQANCHMSA-N 387.443 4.669 0 50 GJAA Cc1ccc(SC2CCN(Cc3nc(CCc4ccccc4)no3)CC2)cc1 12708215 SKJLYDPJAOPQFI-UHFFFAOYSA-N 393.556 4.920 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 12756142 DIAXTJJTTRGABW-HXUWFJFHSA-N 386.451 4.609 0 50 GJAA CCCCOc1ccc(NC(=O)Cc2cccc3c([S@](=O)O)cccc23)cc1 13810605 AUGAOBNENCYYDF-UHFFFAOYSA-N 397.496 4.781 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccc(Cl)cc1 35476317 NHVSGUGLORKJEU-KRWDZBQOSA-N 396.830 4.701 0 50 GJAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(CCc1ccccn1)C2 67694857 FRNQJRJCYCQNPU-UHFFFAOYSA-N 380.513 4.564 0 50 GJAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 188563158 CNEQTLVKMQQGFP-UHFFFAOYSA-N 389.421 4.505 0 50 GJAA Cc1nc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1ccc(OC(F)F)cc1 261490624 QAQLWTUSPRNOOT-UHFFFAOYSA-N 386.402 4.553 0 50 GJAA C[C@@H](O)c1ccc(CNC(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)cc1 377905986 NYBREAJYTPDBGJ-QZTJIDSGSA-N 389.499 4.705 0 50 GJAA CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 464781803 ZGJMRFILRKBGRE-STQMWFEESA-N 394.890 4.903 0 50 GJAA Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NCc1ccc2c(c1)CCCN2 2325862049 HQBNOFISNXEYFP-UHFFFAOYSA-N 392.352 4.586 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1C 881466 GQIJSPGAZWZCEA-UHFFFAOYSA-N 391.334 4.810 0 50 GJAA Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccncc2)cc1 897293 GDSHYVDDFQALBQ-UHFFFAOYSA-N 386.480 4.613 0 50 GJAA CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 1214282 MJKJDRJARDDTKM-UHFFFAOYSA-N 375.266 4.686 0 50 GJAA CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccs1 2366725 WDMIEUFENWHBFS-UHFFFAOYSA-N 392.937 4.719 0 50 GJAA CC(C)[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 2852608 CACZXDAIZDKPKU-SFHVURJKSA-N 396.712 4.995 0 50 GJAA Cc1ccc(-c2cc(C(=O)NC3CC3)c3cc(Br)ccc3n2)cc1 2867672 UVQZQECKYNQXBH-UHFFFAOYSA-N 381.273 4.865 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccccc1-2 2916016 JVMYDJVUXPAKGS-IBGZPJMESA-N 394.500 4.943 0 50 GJAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cccc3ccccc23)CC1 11873839 NAJDJPXEFIQKCQ-UHFFFAOYSA-N 390.531 4.858 0 50 GJAA COc1ccc(OC)c(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)c1 12072821 LMPBFQFMUMKPNJ-SFHVURJKSA-N 399.516 4.851 0 50 GJAA COc1cc(Cl)cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1OC 15073277 XCMTWAWLSYNABG-CQSZACIVSA-N 385.895 4.702 0 50 GJAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1c(C)oc2c1C(=O)CCC2 55099627 UBDJWBFEWMZHBD-UHFFFAOYSA-N 397.862 4.566 0 50 GJAA FC(F)(F)c1cc(Cl)cc(Br)c1I 63360975 JKVQTPJJSMFCCZ-UHFFFAOYSA-N 385.348 4.726 0 50 GJAA C[C@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 67773849 UUQDDXMOZJURHG-AWEZNQCLSA-N 396.874 4.560 0 50 GJAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 72437326 CFFCVDRQRJRHRJ-UHFFFAOYSA-N 384.823 4.883 0 50 GJAA CS(=O)(=O)Cc1cccc(NC(=O)CC2(CCc3ccccc3)CCCC2)c1 112803374 KCLJVQKLKMLODY-UHFFFAOYSA-N 399.556 4.753 0 50 GJAA Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)n1 161968533 LOLMSSUZLNTGEW-IFMALSPDSA-N 390.487 4.531 0 50 GJAA COc1ccccc1C1(CNC(=O)N(C)[C@H]2CCCc3nc(C)sc32)CCC1 185213808 NWPOXKNOXACJCF-SFHVURJKSA-N 399.560 4.601 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 239433014 XCDXKNDGAJAXEA-RNIPGJKVSA-N 387.401 4.888 0 50 GJAA O=C(NCCc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728065726 LOEZWNMOEISLGN-GOSISDBHSA-N 380.385 4.934 0 50 GJAA CCOc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1OC 915124199 ODDZWBPNSRPCIR-UHFFFAOYSA-N 384.423 4.599 0 50 GJAA COc1ccc2c(c1)c(C(=O)N1CC[C@H](OC(F)F)C1)c(C)n2C1CCCC1 952845143 ABJFRTFWIMRFBY-INIZCTEOSA-N 392.446 4.527 0 50 GJAA Cc1c(C(=O)N2CCCC[C@H]2CCc2cccs2)c2cc(O)ccc2n1C 1506397651 XFIYWYBASWRHNE-INIZCTEOSA-N 382.529 4.881 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Nc3cccc(Cl)c3Cl)C1)CC2 1704337695 YLYMKYCCGJPVTN-IBGZPJMESA-N 391.302 4.604 0 50 GJAA O=C(OCc1cc2ccccc2c(O)n1)C1c2ccccc2Oc2ccccc21 1875263506 GIKQYXHVBNCPJN-UHFFFAOYSA-N 383.403 4.921 0 50 GJAA C[C@H](NC(=O)Nc1ccc(Nc2ccccc2)cn1)c1cccc(-n2ccnc2)c1 1875309307 GPSZLEALKKOBEY-KRWDZBQOSA-N 398.470 4.894 0 50 GJAA Cc1ccc(C)c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c1 911083 OQIPURBFPIQVKF-AWEZNQCLSA-N 377.724 4.903 0 50 GJAA CSc1cccc(NC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1 13320028 QWMOXGHYMXCZBK-UHFFFAOYSA-N 385.577 4.527 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3nc4ccc(F)cc4[nH]3)C2)c1 15069406 FTSBAYXBZOFUDB-KRWDZBQOSA-N 395.478 4.584 0 50 GJAA Cc1c([C@H](C)NC2CCN(CCc3ccccc3)CC2)cnn1-c1ccccc1 23339202 UVGVVSUHKUUZQE-FQEVSTJZSA-N 388.559 4.538 0 50 GJAA O=C(COc1ccccc1Cl)NN=C(Cc1ccccc1)Cc1ccccc1 44672299 LTXYPYIHOVAJHE-UHFFFAOYSA-N 392.886 4.676 0 50 GJAA CC(C)c1nc(Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)no1 65428237 UDUNWYZZSSRMDK-UHFFFAOYSA-N 376.464 4.549 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)c(Cl)nc12 170612426 DFZKZKMSJFMVGF-SFHVURJKSA-N 397.837 4.734 0 50 GJAA CC(C)CC[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccoc1 170615983 CXVCQYWFVISCJS-LJQANCHMSA-N 392.565 4.624 0 50 GJAA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]21CCC(=O)O1 253499902 QZDICFWNRZAVJB-NZZSULCKSA-N 386.532 4.768 0 50 GJAA biogenic Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)cc1C 263619072 WTCDCWXYQVLESC-FQEVSTJZSA-N 390.418 4.628 0 50 GJAA Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)[C@@H](C)c2nccs2)c1 299801383 XHFUZCRZEYYFQX-LBPRGKRZSA-N 376.432 4.543 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(N2CCc3ccccc32)CC1 410281202 GFQHMAIZNCQWNN-LOSJGSFVSA-N 396.534 4.997 0 50 GJAA Cc1cc(C(=O)COC(=O)[C@]2(C)CC[C@@H](C)C2)c(C)n1CCc1ccccc1 1875343463 JZILQYROKZEOHK-MZNJEOGPSA-N 381.516 4.900 0 50 GJAA Cc1cccc(C)c1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 630024 XHSRYWPZUVWILK-BBITVKMKSA-N 379.459 4.700 0 50 GJAA COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)c1ccccc1 741781 PWVZWPDIGZZBEX-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 858233 HPPMQOZJTCZBEW-UHFFFAOYSA-N 396.899 4.712 0 50 GJAA CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc(F)cc2)cc1 1125252 OIFLEDQBHIIPQZ-NHCUHLMSSA-N 383.463 4.876 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)on2)sc2c1CCCC2 1126422 QYMOKPZQMHVNMB-UHFFFAOYSA-N 396.468 4.711 0 50 GJAA O=C(CCc1ccccc1)Nc1ccc(I)cc1Cl 1128789 DNSOGFVGZZQDBB-UHFFFAOYSA-N 385.632 4.516 0 50 GJAA COC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2F)cc1 1390722 PQNKONFLAMZOJR-UHFFFAOYSA-N 383.350 4.796 0 50 GJAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4653868 ABGMROJQDYKVHQ-XOQVKLMPSA-N 383.532 4.833 0 50 GJAA Cc1ccc(C)c(-n2cc(CNCc3n[nH]c4c3CCC4)c(-c3ccccc3)n2)c1 12306542 MUBPWUFRIXXEMZ-UHFFFAOYSA-N 397.526 4.658 0 50 GJAA CCN(C(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1)c1ccccc1 12404250 YIGMEQLTJSGBDT-UHFFFAOYSA-N 388.467 4.543 0 50 GJAA CN(Cc1ccon1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 12454976 LTTHKQABSFMUSS-UHFFFAOYSA-N 396.853 4.952 0 50 GJAA Cc1c([C@@H](C)NCc2cccn2-c2ccc(Cl)cn2)cnn1-c1ccccc1 12589365 BXIJSNBDIVECNO-MRXNPFEDSA-N 391.906 4.871 0 50 GJAA Cc1ccc(-c2nc(C)sc2CC(=O)N(CC2CC2)c2cccnc2)cc1 135545695 VWINSZQADPXLOG-UHFFFAOYSA-N 377.513 4.808 0 50 GJAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C2CC2)nc2ccccc12 170643787 KWMMITFAUSVNMW-FQEVSTJZSA-N 399.538 4.706 0 50 GJAA Cc1ccc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1-c1ncco1 253416822 DWLNQKLLUODILL-KRWDZBQOSA-N 399.491 4.768 0 50 GJAA CN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 329856250 UQEDNPDXQSHVTG-WIYYLYMNSA-N 385.483 4.589 0 50 GJAA CSc1cccc(CN(C)C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 426396631 PFQIFYKLNLXZFW-UHFFFAOYSA-N 379.407 4.576 0 50 GJAA CCCCN(Cc1cccnc1)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 952991791 VRSWGQLMYPADGJ-QFIPXVFZSA-N 383.511 4.577 0 50 GJAA CCN(C[C@H]1CCN(C)C1)C(=O)c1ccccc1SCc1ccc(F)cc1 1506400521 NNBFEAQUAGWAOZ-SFHVURJKSA-N 386.536 4.532 0 50 GJAA Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)cc1Br 1875323011 RQTQZAIFJNZHRG-UHFFFAOYSA-N 388.714 4.829 0 50 GJAA c1ccc(-c2cc3c(NCCc4ccc5c(c4)OCO5)ncnc3s2)cc1 2325720476 NKYNOTOOHRBSPV-UHFFFAOYSA-N 375.453 4.742 0 50 GJAA COC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 1120716 JXZMXHZEQJHLHO-JOCHJYFZSA-N 389.451 4.908 0 50 GJAA O=C(c1cc2ccccc2oc1=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 1156737 MPEPPXOMNYIXTA-QFIPXVFZSA-N 394.430 4.785 0 50 GJAA CC(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 1166936 QPMXNBLVZWCHCB-WOJGMQOQSA-N 399.288 4.665 0 50 GJAA O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 1184484 KTNNRJGXVBROKF-UHFFFAOYSA-N 394.814 4.543 0 50 GJAA CCc1ccc(OCC(=O)Nc2nc3ccccc3s2)c(Br)c1 4833738 DNKJPTGZWNCSNY-UHFFFAOYSA-N 391.290 4.639 0 50 GJAA Cc1cccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 5073331 HHZQKQBYVOBBHW-ZRDIBKRKSA-N 382.419 4.593 0 50 GJAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2c[nH]c3ccccc23)CC1 11762494 HGQGHJIAAOBSSE-UHFFFAOYSA-N 376.500 4.556 0 50 GJAA O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@@H]1C[C@@H]2C=C[C@H]1C2 12000266 FBKHDHFXFPTYQU-JGTCGTHISA-N 385.916 4.700 0 50 GJAA Cc1n[nH]c(C)c1CN(C)C(=O)C[C@H](c1cccc(Cl)c1)c1ccccc1O 15076952 PGBBQIGXQKPBPR-LJQANCHMSA-N 397.906 4.566 0 50 GJAA COc1cccc(CNc2ncc(-c3cncnc3)c(-c3ccc(C)cc3)n2)c1 65383555 XNIJEDPWKBEAIC-UHFFFAOYSA-N 383.455 4.530 0 50 GJAA O=C(Nc1cc(-c2ccccc2)ns1)c1ccc[nH]/c1=N\c1cccc(F)c1 125004507 UNQIWRHEDGTUBR-UHFFFAOYSA-N 390.443 4.762 0 50 GJAA COc1ccc(CN(C(=O)Nc2cc(C3CCC3)nn2C)[C@@H](C)C2CC2)cc1 153584480 LHJOSYBBAHQYIZ-HNNXBMFYSA-N 382.508 4.529 0 50 GJAA C[C@@H](c1nc2ccccc2n1C(F)F)N1CCO[C@@H](c2ccc(F)cc2)C1 229558477 DQVSASKKSQRENK-SCLBCKFNSA-N 375.394 4.705 0 50 GJAA CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 252516304 RLULKLZQZHUHMW-SSGKUCQKSA-N 379.500 4.855 0 50 GJAA O=C(/C=C/c1ccccc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 730223321 NAUQXAPFWBROFA-DKFQHHCZSA-N 380.246 4.746 0 50 GJAA C[C@H]1CC[C@H](C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704300057 SYYLEHWGACDFNU-KHOMTPLRSA-N 389.543 4.776 0 50 GJAA Brc1ccc2c(c1)NCCN(Cc1ccc(-c3ccncc3)cc1)C2 2325839711 BVVIYKZBWYZGNW-UHFFFAOYSA-N 394.316 4.939 0 50 GJAA CCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 624270 PSEPCSDDEGJQAP-UHFFFAOYSA-N 395.528 4.513 0 50 GJAA COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(=O)ccc2c1 1114435 MDBVMGHGFSRMBV-QHHAFSJGSA-N 390.222 4.760 0 50 GJAA COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1OC 1287706 SGLUGQDNSUDOMS-UHFFFAOYSA-N 397.500 4.772 0 50 GJAA O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2)cc1 4006362 GVBLNZMPDNCDMH-TVHGACNRSA-N 389.495 4.753 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1 4809699 DMVJVUQIRIHLEX-UHFFFAOYSA-N 387.439 4.579 0 50 GJAA Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1 5577172 LHEOFGBKERIXQQ-UONOGXRCSA-N 378.881 4.601 0 50 GJAA CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 5819359 TYSOMZQRYGBSKN-BSHHJLFISA-N 380.484 4.922 0 50 GJAA biogenic,in-vitro COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231051 DPTDONDCCMYUKX-UHFFFAOYSA-N 386.879 4.663 0 50 GJAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 12124841 UXACFGDPCHXTOY-QHCPKHFHSA-N 395.449 4.636 0 50 GJAA Cn1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c2ccccc21 12247787 KWQADPFNQBMHBH-OFNKIYASSA-N 393.575 4.572 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12314038 KPTCINQYYOMBPQ-SFHVURJKSA-N 392.430 4.577 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 12436034 DWJQOBKKKZUAMD-GOSISDBHSA-N 392.886 4.932 0 50 GJAA CCCN1CCC2(CC1)N=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](c3ccccc3)N12 25504136 FYYBQIDGJNHVDB-XBRHSWDSSA-N 379.935 4.770 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1C 63857655 KCATXBYZHHTDGJ-INIZCTEOSA-N 376.504 4.921 0 50 GJAA COc1cccc([C@H]2CCN(C(=O)c3oc4cc(C)ccc4c3C)C2)c1OC 91746908 BJZOMQUETLFEKB-INIZCTEOSA-N 379.456 4.697 0 50 GJAA Cc1[nH]c2c(C(=O)N3CCC(c4nccn4CC4CCC4)CC3)cccc2c1C 95503381 FTLBGAMZMAORRO-UHFFFAOYSA-N 390.531 4.801 0 50 GJAA COc1ccc(Oc2ccc(NC(=O)N(C)CCC[C@@H]3CCCO3)cc2)cc1 96163018 SVFRWONEJHVKRB-LJQANCHMSA-N 384.476 4.910 0 50 GJAA Cc1cccc(OC(F)F)c1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 120927333 SKQWPPKQVRLIJY-UHFFFAOYSA-N 396.393 4.846 0 50 GJAA CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 239309542 HRDZBROZDQSHGP-JRGCBEDISA-N 389.536 4.694 0 50 GJAA COc1cccc([C@@H]2CC(c3ccsc3)=NN2C(=O)c2ccccc2C)c1 241515594 OGKMYXRJMPQAMA-NRFANRHFSA-N 376.481 5.057 0 50 GJAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cc3cccc(Cl)c3n2C)cc1 952975650 FWRHBFIZNONCBB-ZDUSSCGKSA-N 381.863 4.599 0 50 GJAA COc1ccccc1-c1ncc(CN2CCCC[C@@H]2CCn2ccnc2C)s1 952990241 LRWOXWWMQGEFFR-GOSISDBHSA-N 396.560 4.768 0 50 GJAA CC1(C)C[C@](C)(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1857783211 YTYLKIUALBSMNF-QHCPKHFHSA-N 379.456 4.511 0 50 GJAA Cc1ccc2nc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccc2c1 2325822643 GCCUFQYQFZWSRW-UHFFFAOYSA-N 380.875 4.880 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1ccc(Br)cc1C 2325842062 NFFWRSPUFHSQGK-SJORKVTESA-N 376.338 4.568 0 50 GJAA Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc(Cl)cc2Cl)c1 623071 SLOBLWGKOYMBDM-UHFFFAOYSA-N 393.299 4.561 0 50 GJAA COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 662470 QIXSWRNBEXWPKR-HSZRJFAPSA-N 394.492 4.792 0 50 GJAA O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 1048107 PLYOBKOGKORFMB-UHFFFAOYSA-N 390.283 4.692 0 50 GJAA O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1 1113809 ZTNDCORNAHDNMD-UHFFFAOYSA-N 382.847 4.689 0 50 GJAA CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1147251 ZQVPFKIZWSDROV-IBGZPJMESA-N 376.422 4.548 0 50 GJAA COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCC2 1218478 MEWMFJGOWKYOFE-UHFFFAOYSA-N 385.272 4.974 0 50 GJAA O=C(NC1CCCCCC1)c1ccn(COc2cccc(Cl)c2Cl)n1 2787886 LUAASGBDQDEXOZ-UHFFFAOYSA-N 382.291 4.679 0 50 GJAA C[C@H](CS(=O)(=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072769 OJPONBYPQIQDFK-HXUWFJFHSA-N 393.552 4.661 0 50 GJAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4986650 LZNWLQJPBZROKY-AWEZNQCLSA-N 379.378 4.977 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 15799946 OZLPVXNJSKVHOJ-UNOMPAQXSA-N 383.469 4.639 0 50 GJAA CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC[C@@H]1CCCO1)n2C 19894340 HDKJMDQOPNYABV-SFHVURJKSA-N 396.918 4.970 0 50 GJAA Cc1c(O)nc(-c2ccccc2CN2CCC3(CCCC3)C2)nc1C(F)(F)F 23581981 SXGYFIBUDNEXKI-UHFFFAOYSA-N 391.437 4.943 0 50 GJAA Cc1c([C@@H](C)NCc2ccc3nonc3c2)cnn1-c1cccc2ccccc12 55359977 PLDIECAZZWINNV-OAHLLOKOSA-N 383.455 4.721 0 50 GJAA COc1ccc(CN(C(=O)c2cnc(C(C)C)nc2)C(C)C)c2ccccc12 55360100 KUUYMULMAUSKMK-UHFFFAOYSA-N 377.488 4.813 0 50 GJAA O[C@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)c1cccnc1 67955735 ADTLESBHHOTPIC-JOCHJYFZSA-N 380.451 4.827 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N3CCC(c4nccn4CC4CC4)CC3)c2)o1 95390545 OXSVDMDCRSAMNS-UHFFFAOYSA-N 389.499 4.881 0 50 GJAA CCCc1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)o1 122195112 PZBMZRBJMLARSJ-UHFFFAOYSA-N 388.518 4.764 0 50 GJAA C[C@H](CC(=O)N[C@H](CCCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 152947546 MFPFPOPEOVVUEV-DNVCBOLYSA-N 379.422 4.829 0 50 GJAA CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1 169682688 IKWWYWAQMYAQTI-FUHIMQAGSA-N 377.532 4.995 0 50 GJAA C[C@@H](NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(C(F)(F)F)n1C 225411854 RIZKUYKTAYEWBY-GFCCVEGCSA-N 396.388 4.516 0 50 GJAA C[C@@H](Nc1cnc2cc(Cl)c(Cl)cc2n1)c1ccc2nc(O)oc2c1 1458518344 SVKLZZPLPRLRTK-MRVPVSSYSA-N 375.215 4.957 0 50 GJAA c1ccc2sc(N3CCN(Cc4cc(C5CCCCC5)no4)CC3)nc2c1 1506402306 WJEWYIXXKDNADF-UHFFFAOYSA-N 382.533 4.654 0 50 GJAA O=C(O[C@@H](CSc1nc[nH]n1)c1ccccc1)c1cc(C(F)(F)F)cs1 2325876376 SVRPTVMXBLNCCW-LBPRGKRZSA-N 399.419 4.575 0 50 GJAA CCOc1cc(C=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1 808299 ICFUVYVZNXDASF-UHFFFAOYSA-N 375.424 4.642 0 50 GJAA CCCOc1cccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 2081174 UKHVKFNPDHQPIN-IUXPMGMMSA-N 377.774 4.752 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 2086293 ABTMYPBCTYWOKX-LFYBBSHMSA-N 388.261 4.668 0 50 GJAA Cc1nn2c(-n3cnc4ccccc43)c3c(nc2c1-c1ccccc1)CCCC3 2230681 ZUAUAUPGHXVWFR-UHFFFAOYSA-N 379.467 4.922 0 50 GJAA CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)NCc3ccco3)c2c1 2845958 AINOADYFTSGHBU-UHFFFAOYSA-N 386.451 4.996 0 50 GJAA CCCOc1ccccc1/C=C1\N=C(c2ccccc2Br)OC1=O 2849904 OONPRRUMNBQUFN-VBKFSLOCSA-N 386.245 4.582 0 50 GJAA Cc1ccccc1C(=O)Nc1nn(-c2ccccc2)c(O)c1C1=NCCCCC1 4815846 LRBRXLIRCUQAPO-UHFFFAOYSA-N 388.471 4.502 0 50 GJAA O=C(Nc1cccc(Cl)c1)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 4857960 ZHLIPMFYVTUKLY-UHFFFAOYSA-N 399.899 4.707 0 50 GJAA O=C(NC1CCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 5091483 JVRTUIWKVZHPAD-UHFFFAOYSA-N 376.544 4.814 0 50 GJAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 6184316 FZONTNZNHAPMCE-UHFFFAOYSA-N 381.495 4.842 0 50 GJAA COC1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 12093901 WGLWEQFYEBTXQB-UHFFFAOYSA-N 375.516 4.767 0 50 GJAA COc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1O 14976785 BISQMHVHMLAKJO-INIZCTEOSA-N 387.483 4.899 0 50 GJAA COc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1O 14976788 BISQMHVHMLAKJO-MRXNPFEDSA-N 387.483 4.899 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)NC1CC1 15062913 AXZCCONNMKCOFI-HXUWFJFHSA-N 392.543 4.536 0 50 GJAA C[C@H](Nc1cccc2c1OCCO2)c1nnc(-c2ccc(Cl)cc2Cl)o1 158222024 FJVWGTPSGVCBNX-JTQLQIEISA-N 392.242 4.988 0 50 GJAA Cc1cc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)c2c(C)noc2n1 169774020 ASZHZKWIHHRJTM-INIZCTEOSA-N 394.862 4.782 0 50 GJAA O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CC(=O)N(C2CCCCCC2)C1 170630642 SDZZZXHCJKQTIB-KRWDZBQOSA-N 383.536 4.551 0 50 GJAA COc1ccccc1-c1csc(C2CCN(C(=O)c3scnc3C)CC2)n1 191748256 AQIMOTVOPQLLHK-UHFFFAOYSA-N 399.541 4.603 0 50 GJAA Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]3CCCC[C@H]32)c1=S 229975433 MAARNTFVOZJWMX-WMLDXEAASA-N 376.957 4.884 0 50 GJAA O=C(O)c1sc2ccccc2c1CN1CCC([C@H](O)c2ccccc2)CC1 846235138 SWWRSCLAUORDHC-HXUWFJFHSA-N 381.497 4.545 0 50 GJAA O=C(N[C@@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ccc[nH]1 2325736902 VWOBFGBPSLBGOH-IBGZPJMESA-N 387.266 4.776 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccc(Cl)c(Cl)c1 648248 ICUFIMRGSLOAIE-UHFFFAOYSA-N 386.300 4.975 0 50 GJAA COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 955022 GROAWJUZYPPWFT-XNTDXEJSSA-N 389.451 4.935 0 50 GJAA C[C@H](NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 1116711 PVUILLSLYOZJQW-SFHVURJKSA-N 382.463 4.750 0 50 GJAA CCOC(=O)[C@H](Oc1cc2oc(=O)cc(CC)c2cc1Cl)c1ccccc1 1151845 BKURDZXZIXSHNP-HXUWFJFHSA-N 386.831 4.692 0 50 GJAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(I)cc1 1168263 SGXASSZHWPWASO-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA COc1ccccc1[C@H](CCNCc1ccccc1)c1ccc2c(c1)OCO2 2101940 WTRUIJJKAXKDGK-HXUWFJFHSA-N 375.468 4.736 0 50 GJAA biogenic CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccc(Br)cc1-2 2113844 QMUWQOVZDUNUJD-ZDUSSCGKSA-N 395.326 4.734 0 50 GJAA CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c3C)C2)cc1 4912624 GKRYCEUTIPCYTN-LFRPXUGBSA-N 395.499 4.980 0 50 GJAA Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)c1 5061751 ZCFDAOPLMVZOOG-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)Cc1n[nH]c2c1CCCC2 11817578 BPTVIZHOMLFBLP-UHFFFAOYSA-N 397.526 4.978 0 50 GJAA CSc1cccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 11933540 WYUYBYFTXABMSR-NRFANRHFSA-N 375.965 4.879 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1cccc(F)c1)CCO2 67643759 GEWRGFXOVYJHNW-UHFFFAOYSA-N 377.415 4.542 0 50 GJAA Cc1nnc(S[C@H](C)c2nnnn2C2CCCCC2)n1[C@@H]1CCC[C@H](C)C1 248676531 AKCNTOMIAAXYGR-JJRVBVJISA-N 389.573 4.683 0 50 GJAA O=C(c1cc(Cl)ccc1F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 452528935 DOXHAVJSBOJVLD-UHFFFAOYSA-N 392.805 4.974 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C[C@H](C2CC2)O1 1857723261 XJJYLLSUOCHYEA-VQIMIIECSA-N 391.895 4.905 0 50 GJAA N[C@H](CCNC(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)Cc1ccccc1 2325866708 WZWAIUFKDGTMPV-KSEOMHKRSA-N 399.966 4.626 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CC[C@@H](C)C2 652534 SFCOZRXXTBHQFI-SNVBAGLBSA-N 395.427 4.513 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 679595 BRWAJDBGZFTAQH-UHFFFAOYSA-N 397.544 4.705 0 50 GJAA COc1cc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 683171 GYDNTOYYVRDVJP-UHFFFAOYSA-N 389.757 4.637 0 50 GJAA CCc1cccc(CN2CCC(CNC(=O)Nc3ccc(Cl)cc3)CC2)c1 1071059 MKABATOCCJPXFR-UHFFFAOYSA-N 385.939 4.936 0 50 GJAA Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@H](C(C)(C)C)CO2 1392420 VAHYYMAMMWDZTK-SFHVURJKSA-N 379.909 4.651 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(I)cc1 2964346 AZTGINBJFUNVGP-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)n2)c1 11761494 NCWRDZPOMXMVLE-DEOSSOPVSA-N 381.479 4.968 0 50 GJAA Cc1ccsc1C(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 12217794 JKIIKBLCYRITMH-UHFFFAOYSA-N 398.572 4.726 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCc2ccccn2)C1 12447996 ZHVDROZKQHCTLR-HSZRJFAPSA-N 398.506 4.803 0 50 GJAA CCN(C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)c1ccc(F)cc1 13520292 POJGKDWEBLGKMV-UHFFFAOYSA-N 380.444 4.857 0 50 GJAA COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 15010430 JZKBEPJZJDYGED-ZSOIEALJSA-N 396.251 4.949 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1ccc(C(F)(F)F)cc1 15064599 UDVGWLMZGGPZFN-INIZCTEOSA-N 391.437 4.731 0 50 GJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 15077795 FLNJDXLZRGRLMD-MRXNPFEDSA-N 385.920 4.682 0 50 GJAA COc1ccc(Cl)cc1-c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 16579785 KGOAFDSOOGXNPC-UHFFFAOYSA-N 392.242 4.542 0 50 GJAA CC[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(C)cc1 20616643 JJWKMJGWZUANOJ-ZDUSSCGKSA-N 381.423 4.843 0 50 GJAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)C1(c2ccccc2)CC1 67604146 PWKSGKYXJVFHRL-UHFFFAOYSA-N 380.394 4.500 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1cnc(C)n1C 169822310 CWAPIHCLJCNFTN-UHFFFAOYSA-N 385.184 4.785 0 50 GJAA COc1cccc2ccn(CCC(=O)Nc3nnc(C4CCCCC4)s3)c12 170622232 KMXYAJNPBFZUPI-UHFFFAOYSA-N 384.505 4.578 0 50 GJAA Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 263619557 ZFGCZDKFIZWHDH-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA COc1ccc2cc(COC(=O)[C@H]3CC(c4cc(C)ccc4C)=NO3)ccc2c1 1352284644 IFYVPBZACKIVST-HSZRJFAPSA-N 389.451 4.702 0 50 GJAA c1ccc(CN2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)nc1 1857703250 OIMUECDUAUVOLP-DEOSSOPVSA-N 393.575 4.544 0 50 GJAA COc1ccnc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1F 1875343364 ZACCDIXMHBLZCQ-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1cccnc1C(F)(F)F 1940195566 XSHPIBBBJHUFHF-UHFFFAOYSA-N 394.784 4.559 0 50 GJAA COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2 829046 CLTMIIPEHWAASE-ZHACJKMWSA-N 375.877 4.719 0 50 GJAA CC(=O)c1ccc(NC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 1119941 KAZQGSKNVQXSCR-UHFFFAOYSA-N 384.439 4.931 0 50 GJAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1131312 PNRVCNKJGCWMEZ-UHFFFAOYSA-N 378.516 4.783 0 50 GJAA Cc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1ccco1 1138317 ICJRGEDWZMUDHF-UHFFFAOYSA-N 399.244 4.855 0 50 GJAA COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 2836294 NRLHYCHCJFREAU-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA Clc1ccc2nc([C@@H]3CCCN3Cc3nc(Cc4ccccc4)no3)[nH]c2c1 11664615 JNDIBGOITUVIEK-SFHVURJKSA-N 393.878 4.527 0 50 GJAA FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3c3cccnc3)n2)cc1 12318356 DORGQDIEGDLBPU-QGZVFWFLSA-N 388.393 4.878 0 50 GJAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O 12494625 VWFJDQUYCIWHTN-YFVJMOTDSA-N 382.330 4.632 0 50 GJAA endogenous,in-man Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)c1 19745799 TXRWLQWWUZKPPE-AREMUKBSSA-N 396.490 4.956 0 50 GJAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)sc21 20616950 RDIPGRDMAIGNGE-UHFFFAOYSA-N 392.362 4.561 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]21 101397236 RHKPIYXWINNWJU-WVATUKLVSA-N 381.781 4.617 0 50 GJAA Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(F)c3F)c2C(F)(F)F)cc1 121254657 SNCDMVSJPFZMML-UHFFFAOYSA-N 399.294 4.869 0 50 GJAA CC(=O)c1cc(Cc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)cs1 299782921 XVLOIRDNCIJVNM-OTWHNJEPSA-N 393.512 4.618 0 50 GJAA CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCc3c(F)ccc(F)c3C2)n1 438143465 JIKHQLORQVJSAJ-UHFFFAOYSA-N 397.425 4.511 0 50 GJAA Cc1ccc2c(ccn2CCNC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1 952963413 RCNOEFYPBHRXPO-UHFFFAOYSA-N 393.487 4.951 0 50 GJAA CCO[C@@H](C)c1nc(-c2cnn(CC(F)(F)F)c2C)n(C2CCC(C)CC2)n1 1875349062 LMGMEXJWIILLFZ-BLZCZZARSA-N 399.461 4.861 0 50 GJAA O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)OCc1cccnc1 2325711027 SECGJVQVLZGYTM-CSKARUKUSA-N 384.229 4.861 0 50 GJAA COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 951260 XXGOVDNUUQOVHU-WYMLVPIESA-N 389.451 4.935 0 50 GJAA CC(C)(C)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1 1132850 PWOAFESDEFSQIT-UHFFFAOYSA-N 390.512 4.911 0 50 GJAA O=C(NC(=S)Nc1ccccc1Cl)C(c1ccccc1)c1ccccc1 1182938 YMTYLAMPZFFILF-UHFFFAOYSA-N 380.900 4.985 0 50 GJAA COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O 2540076 PYFSQXIWQGECQQ-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA in-vitro O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C2CCCCCCC2)CC1 11933185 OURRAQJYYXJZDG-UHFFFAOYSA-N 394.563 4.814 0 50 GJAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1C 11933516 QQOCDHUQMCACCP-SFHVURJKSA-N 385.529 4.671 0 50 GJAA Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C 63872449 IRFBMBVBXSLZTN-UHFFFAOYSA-N 376.504 4.912 0 50 GJAA COc1ccc(Cc2noc(COc3c(Cl)cccc3Cl)n2)cc1OC 72133504 XFDOKGZTJMEKPX-UHFFFAOYSA-N 395.242 4.563 0 50 GJAA COc1ccc2cc(CN3CCC(OC)CC3)c(-c3cccc(C)c3)nc2c1 72407329 GTIJGYFRDUEZJM-UHFFFAOYSA-N 376.500 4.830 0 50 GJAA O=C1[C@H]([C@H]2NCCc3c2[nH]c2ccccc32)c2ccccc2N1c1ccccc1 102198046 FHGRMQONXLFYLC-LADGPHEKSA-N 379.463 4.817 0 50 GJAA Cc1ccc(C)c(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 169759753 BVVHIVTZLUXNAO-HXUWFJFHSA-N 381.863 4.677 0 50 GJAA CC(C)c1cc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)no1 299791250 DMTXCTWQCDAQEI-UHFFFAOYSA-N 381.501 4.758 0 50 GJAA Cc1ccc([C@@H](NC2CCN(Cc3ccco3)CC2)c2cccnc2)c(C)c1 1506429067 UGYDUQGQMGNKFS-DEOSSOPVSA-N 375.516 4.635 0 50 GJAA COc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 730190 LWYSICUFAYPQIM-UHFFFAOYSA-N 388.496 4.673 0 50 GJAA COc1cccc(NC(=O)Nc2nnc(CSCc3ccccc3)s2)c1 1168713 AEQQNUBMQNEBHC-UHFFFAOYSA-N 386.502 4.624 0 50 GJAA CCCCCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 2734548 XEOIJGLPWCTGPY-JTQLQIEISA-N 388.320 4.984 0 50 GJAA O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2737329 NSJCIOZWWJRRDU-UHFFFAOYSA-N 390.874 4.572 0 50 GJAA COc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1OC 2750436 ZNKAVCQJUOTXIR-UHFFFAOYSA-N 387.819 4.782 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@H]4C)c3C)C2)cc1 4134286 WAMNGGJBOLUWGH-PSGMQZRDSA-N 381.472 4.590 0 50 GJAA Fc1ccc(CSCc2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 6402423 CKQITONITTXQHW-UHFFFAOYSA-N 383.876 4.921 0 50 GJAA C/C=C(\C)CN1CCc2ccc(NC(=O)CCc3ccccc3OC)cc2C1 11839743 JKEGKWDDYIDURW-JJPRUIFNSA-N 378.516 4.591 0 50 GJAA O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@@H]1c1ccc(F)cc1 11933679 LNUSMWFELDJYEE-OAQYLSRUSA-N 380.419 4.760 0 50 GJAA C[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)Cc2cc(Cl)ccc2O1 14981883 QDZOCTMRQKLPNM-OAHLLOKOSA-N 381.863 4.705 0 50 GJAA COc1cc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc(OC)c1 14986843 ANFPRWOGRVBUSD-UHFFFAOYSA-N 397.496 4.533 0 50 GJAA COc1ccc(/C=C2\SC(=O)N(CCCc3nc4ccccc4o3)C2=O)cc1 22215610 VSXJXYYUQAYXFF-AQTBWJFISA-N 394.452 4.506 0 50 GJAA CCCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 33269800 CJLQCWLZZILBDY-GOSISDBHSA-N 385.851 4.913 0 50 GJAA COc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)c(C)c1C 55252724 CWFCDLINZNQHDY-UHFFFAOYSA-N 391.515 4.598 0 50 GJAA COc1ccccc1Oc1ncccc1CNC(=O)c1c(F)cccc1Cl 67676042 BBVFFBAZVJEBQD-UHFFFAOYSA-N 386.810 4.605 0 50 GJAA Cc1occc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67692381 KTXOGNGBYQPYQX-UHFFFAOYSA-N 383.831 4.649 0 50 GJAA Cc1c(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)[nH]c2ccccc12 67818518 ZKTMYSAXUAZNCB-UHFFFAOYSA-N 379.410 4.968 0 50 GJAA COc1ccc(-c2cncc(C(=O)Nc3cccc(Oc4cnccn4)c3)c2)cc1 120618594 ZFBIEWIFQQMROG-UHFFFAOYSA-N 398.422 4.592 0 50 GJAA Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)ccc1Cl 169766498 GLVXDNVSFXLZLB-FQEVSTJZSA-N 397.906 4.693 0 50 GJAA CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)[C@@H]1O 226441007 WJBPXFYDIOPTIY-YBCDCHDQSA-N 378.516 4.519 0 50 GJAA CCn1c2c(c3cc(Br)ccc31)CN(C(=O)OC(C)(C)C)CC2 252493407 NBNVZRJGTHEHFM-UHFFFAOYSA-N 379.298 4.717 0 50 GJAA Cc1cccc(CN(C(=O)NCc2cnc3ccccn23)C2CCCCC2)c1 426719973 POZOEGQWOXWTTO-UHFFFAOYSA-N 376.504 4.687 0 50 GJAA CC(C)n1ncc2c(C(=O)O[C@H]3CCC[C@H]3c3cccnc3)cc(C3CC3)nc21 2325743018 RFRNRGQWLRMXPL-UWJYYQICSA-N 390.487 4.778 0 50 GJAA COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O 712966 PZALTESGJYHRCV-UHFFFAOYSA-N 388.467 4.646 0 50 GJAA biogenic O=C(c1ccc(C(=O)N2CCCc3ccccc32)cc1)N1CCCc2ccccc21 805390 KUJMNZSEWQAUPH-UHFFFAOYSA-N 396.490 4.873 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 934523 JYSVFEXCSRJQPK-CQSZACIVSA-N 390.508 4.891 0 50 GJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C(=O)OC)cc1 940252 MBVLMCJNGZRJBL-UHFFFAOYSA-N 384.819 4.595 0 50 GJAA Cc1ccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1C 1163614 CZCUILIEJKNUCD-VWLOTQADSA-N 381.475 4.943 0 50 GJAA O=S(=O)(c1ccccc1)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 4996704 QUWYOLRUEPWCLD-UHFFFAOYSA-N 396.855 4.890 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 5042453 ONTRMXCEWLQVED-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 12057942 CWLWOFGRTUQKCL-FQEVSTJZSA-N 392.499 4.644 0 50 GJAA COP(=O)(OC)[C@@]1(O)[C@H]2CCC[C@H]1[C@H](c1ccccc1)C1=C2CCCC1 239302594 FLRSDWGCLTWBAU-BURNTYAHSA-N 376.433 5.245 0 50 GJAA CC(C)c1cnc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 252477284 LGGNYKYHOAYCMX-DLBZAZTESA-N 377.529 4.552 0 50 GJAA C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c2c(O)cccc21 469217225 DWMBQKIXYKIXEH-KCXAZCMYSA-N 391.389 4.935 0 50 GJAA O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728065727 LOEZWNMOEISLGN-SFHVURJKSA-N 380.385 4.934 0 50 GJAA CC(C)c1noc(C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n1 1704313975 VLQPIEKEUHFFAN-UHFFFAOYSA-N 389.503 4.523 0 50 GJAA COc1cc(NC(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)ccc1C(C)C 2325703142 QHUUBVQXLFMEHI-UHFFFAOYSA-N 395.503 4.974 0 50 GJAA CC[C@H](Sc1nc(O)c2c(-c3ccc(F)cc3)c(C)sc2n1)C(=O)OC 2325736975 MZNRORUJAVTBIY-LBPRGKRZSA-N 392.477 4.555 0 50 GJAA O=C(CCCCCc1c[nH]c2ccccc12)OCc1ccc(-n2ccnc2)nc1 2325745463 AHXVSHJAYCJEGC-UHFFFAOYSA-N 388.471 4.595 0 50 GJAA CCOC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCCC2 648097 SIMAQKJXKHCFEA-UHFFFAOYSA-N 377.893 4.638 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl 752477 NPNAUHVCVVNSDI-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 829530 XINABFQDSABBAI-UHFFFAOYSA-N 392.846 4.619 0 50 GJAA CCN(CCC(=O)Nc1ccc(Br)c(C)c1)Cc1ccccc1 1177529 IZPMIQXCORNEBS-UHFFFAOYSA-N 375.310 4.608 0 50 GJAA C[C@H]1CCCC[C@H]1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799896 GJXGXRQWBBRFKZ-IINYFYTJSA-N 385.357 4.724 0 50 GJAA Sc1nnc([C@H](Sc2ccccc2)c2ccccc2)n1C[C@H]1CCCO1 6927711 OEISRHYVGJRIGR-SJLPKXTDSA-N 383.542 4.628 0 50 GJAA CCOCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 11815948 QBWWOBJPSYAHOE-UHFFFAOYSA-N 385.458 4.642 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2ccon2)c(C)s1 12583761 ISHLWRHFXMIHON-UHFFFAOYSA-N 396.491 4.977 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 15074834 WPDVQNFGRIWVHW-GOSISDBHSA-N 384.907 4.702 0 50 GJAA COC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCCC2 16246732 GPSSYQJKFFWMOU-MDZDMXLPSA-N 375.877 4.719 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@@H]1CCn1ccnc1 20254696 DIZWOAAJLSKFCB-QGZVFWFLSA-N 386.446 4.570 0 50 GJAA O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1C1CCCCCC1 40392424 YJVFUCOUIWQQLS-UHFFFAOYSA-N 393.878 4.655 0 50 GJAA Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(C(C)C)n[nH]2)cc1 55370844 ZBRIRFCNAIRJRZ-UHFFFAOYSA-N 376.460 4.655 0 50 GJAA COc1ccc(-c2c(-c3ccccc3)ncn2Cc2cnn(C(C)C)c2)cc1O 65528137 ZECRKIAEGAFDCK-UHFFFAOYSA-N 388.471 4.757 0 50 GJAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)n1 77339647 OXXKQOMFIVUBOA-JOCHJYFZSA-N 377.463 4.665 0 50 GJAA O=C(Cc1c(F)cccc1F)Nc1cc(OCc2ccc(Cl)cc2)ccn1 95587354 GISJHCLTIVIGLX-UHFFFAOYSA-N 388.801 4.773 0 50 GJAA Cc1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccccn3)c2)s1 96133701 NJURGWLFDBRQIJ-SFHVURJKSA-N 379.489 4.668 0 50 GJAA N#Cc1cc(F)c(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c(F)c1 154186123 VBCVINIENJPVKZ-UHFFFAOYSA-N 398.369 4.604 0 50 GJAA CCN(Cc1ccccc1C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 193024160 WBOVKZBEHFCBCR-UHFFFAOYSA-N 391.437 4.927 0 50 GJAA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 248248393 NRHSLASWKBQKOJ-UNMCSNQZSA-N 391.858 4.986 0 50 GJAA CSCC[C@@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334160868 NWMAPYDQJZGYLO-RTBURBONSA-N 384.549 4.562 0 50 GJAA CC(=O)Nc1ccc2nc(CN3CCCC[C@H]3CCc3ccccn3)ccc2c1 820592991 YULNIEAFJKAFPW-QHCPKHFHSA-N 388.515 4.576 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3cnco3)cc2)cc1 952972466 GWJPHBGFMAVGRJ-QFIPXVFZSA-N 389.499 4.771 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3nc4ccccc4s3)C1)CC2 1857704821 HCJYHDJRQPDOAA-QFIPXVFZSA-N 394.544 4.574 0 50 GJAA COc1ccccc1-c1cccc(C(=O)N2CCC(OC(F)(F)F)CC2)c1 2356145919 XTMJTOHYRZLOPL-UHFFFAOYSA-N 379.378 4.503 0 50 GJAA O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1cccc(C(F)(F)F)c1)C3 939287 BQTBDIDKHKEUMT-UHFFFAOYSA-N 387.357 4.657 0 50 GJAA Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1 1112480 JGFBBJHGGMCZQA-LJQANCHMSA-N 382.510 4.597 0 50 GJAA O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1 1130933 NDCGZFPKMSQIKA-FQEVSTJZSA-N 381.479 4.800 0 50 GJAA O=C(CSc1nc2ccccc2s1)Nc1nnc(-c2ccccc2)s1 1158737 QOFJCOMPQZXFRB-UHFFFAOYSA-N 384.511 4.546 0 50 GJAA COc1ccc(Cl)cc1-c1cc(=O)oc(-c2ccc(Br)cc2)n1 1179666 QCYVUDLRBJRXEE-UHFFFAOYSA-N 392.636 4.793 0 50 GJAA CC(C)NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 1212362 USQPWXDZCCTHMM-UHFFFAOYSA-N 376.909 4.671 0 50 GJAA COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2 2746809 HDAOGOVZWXDPMM-UHFFFAOYSA-N 391.492 4.794 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2767099 VQDZQVCSTACQHD-UHFFFAOYSA-N 378.428 4.859 0 50 GJAA Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 2982659 KHYBZSXQQKLAFP-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1OC 4146215 IGTAVZAPGLHBIZ-LJQANCHMSA-N 378.472 4.908 0 50 GJAA O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(C(F)(F)F)c1 12213757 QUBGROUHXAPPHE-GOSISDBHSA-N 394.412 4.515 0 50 GJAA CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 35287449 YVSJDIDTUPXEER-VQTJNVASSA-N 386.923 4.833 0 50 GJAA Fc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1Br 55544000 KOYPFSATCCFZTI-UHFFFAOYSA-N 383.692 4.564 0 50 GJAA COc1ccc2cc([C@H]3CN(c4ncnc5sc(C)cc45)CCO3)ccc2c1 71415710 LZEJZJAGJPVVRD-HXUWFJFHSA-N 391.496 4.739 0 50 GJAA O=C(CC1CCOCC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 117127500 KPCUZYNUEHZDKU-UHFFFAOYSA-N 384.423 4.508 0 50 GJAA O=C(N[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1)N1CCC2(CCC2)C1 119368346 VQUUIUWOXBDPCO-GOSISDBHSA-N 389.421 4.775 0 50 GJAA Cc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)cc2c1 130585428 SNGUPLWFMHBYGR-UHFFFAOYSA-N 387.483 4.648 0 50 GJAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cn(C2CC2)c(=O)c2ccccc12 169774030 JDUZQIVUROWASW-JOCHJYFZSA-N 397.478 4.625 0 50 GJAA COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1F 170677505 JKHNPOCRGMJTPD-GOSISDBHSA-N 394.446 4.616 0 50 GJAA C=CC(=O)N[C@@H](CNC(=O)c1cccc2sccc12)c1ccc(C(C)C)cc1 1875385876 DHLPUSKDWHZAMY-FQEVSTJZSA-N 392.524 4.798 0 50 GJAA CCc1cccc(CC)c1NC(=O)CN1CCSc2c([nH]c3ccccc23)C1 2325852345 AMIPBQDAVQXGBT-UHFFFAOYSA-N 393.556 4.839 0 50 GJAA CCc1nc(N2CCC[C@H]2Cn2c(C)nc3ccccc32)c2scc(C)c2n1 2325862209 MYWYOPJHAFEASU-INIZCTEOSA-N 391.544 4.889 0 50 GJAA CCN(CC)C(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1 891804 OARDPPWVRUXGCE-UHFFFAOYSA-N 388.515 4.769 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCCCC2)C1 1188695 JRMFHYVWGZNPQS-HNNXBMFYSA-N 382.529 4.751 0 50 GJAA Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CCCC3 1258242 BHSNUKNHZJBFTJ-UHFFFAOYSA-N 394.525 4.501 0 50 GJAA CCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 3267600 BVFRIGRJPHUYOU-UHFFFAOYSA-N 388.471 4.562 0 50 GJAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 4133546 ICEKADLMYDOOAN-UDTVLSCZSA-N 397.302 4.695 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)c(Cl)c1 5065059 NIDSLJVEFSKSRO-UHFFFAOYSA-N 388.939 4.722 0 50 GJAA CSCCNC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 14960167 HMEXDIMWDUPDFI-UHFFFAOYSA-N 380.391 4.606 0 50 GJAA CCN(C)C(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccc(C(=O)O)cc1 65406297 KDRQTAFBNVTTAA-UHFFFAOYSA-N 377.488 4.646 0 50 GJAA Oc1ccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cc1 67642912 LNLOIOMZLCDEEL-UHFFFAOYSA-N 381.859 4.813 0 50 GJAA CC(C)C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 114592636 QSNYPRXHBQZYBM-INIZCTEOSA-N 381.472 4.662 0 50 GJAA c1cc(CN2CCCCC2)cc(-c2noc(C[C@H]3OCCc4ccccc43)n2)c1 115178788 KZVCHRBFNKZRJF-JOCHJYFZSA-N 389.499 4.579 0 50 GJAA Cc1c(NC(=O)c2cc3ccccc3nc2N2CCCC2)cnn1-c1ccccc1 129323753 RSSVAACMAQXUCY-UHFFFAOYSA-N 397.482 4.581 0 50 GJAA O=C(Nc1ncc(C2CCNCC2)s1)[C@H]1C[C@@H]1c1cccc2ccccc12 262326287 RBMFSSDMNPSYIT-MOPGFXCFSA-N 377.513 4.506 0 50 GJAA Cc1cc(C)cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 426537833 ZABIOACGVNVPCR-HXUWFJFHSA-N 380.467 4.756 0 50 GJAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc([C@H](C)N2CCCCC2)o1 952974086 YMHVFWFNOVJJHB-KRWDZBQOSA-N 392.503 4.632 0 50 GJAA COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1cc(F)cc(C(F)(F)F)c1 1529192557 XPLRPUXAIXKGOP-CQSZACIVSA-N 385.401 4.890 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Oc1ccc(Cl)cc1 708526 ZDSWPSUEWQDBQC-UHFFFAOYSA-N 376.033 4.740 0 50 GJAA O=C(CSc1nc2ccccc2[nH]1)Nc1c(-c2ccccc2)nc2ccccn12 1074079 UHHCRZJXBXREKL-UHFFFAOYSA-N 399.479 4.608 0 50 GJAA COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)C[C@H]21 1202558 LASWRNMHUGGQMD-HXUWFJFHSA-N 384.435 4.676 0 50 GJAA O=C(CSc1nnc(SCc2ccccc2)s1)Nc1cccc(F)c1 1249017 OEGZOGOBQFASDL-UHFFFAOYSA-N 391.518 4.700 0 50 GJAA O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)NC1CCCCC1 2911098 PRPKCZUPIVOTAF-UHFFFAOYSA-N 386.304 4.584 0 50 GJAA COc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1OC 4003829 WWWCBHIAKSFMSN-VQHVLOKHSA-N 386.245 4.891 0 50 GJAA CCn1cc(CN2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 12468478 XCJAMFWAOITVTG-OAQYLSRUSA-N 389.499 4.790 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 12574270 CZBDKRBQEWXAQO-QGZVFWFLSA-N 397.569 4.751 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccco3)C2)cc1 12704657 GRFSCBVCSTWTKJ-IBGZPJMESA-N 390.483 4.806 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 20600805 DWSRMPLEIHDLHE-MRXNPFEDSA-N 381.907 4.630 0 50 GJAA CCc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1 63855768 AWAIEEDWNXZQQJ-MRXNPFEDSA-N 376.504 4.866 0 50 GJAA CCCn1nccc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71752415 ZKIFZTDTNBNQCR-INIZCTEOSA-N 393.453 4.797 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 95523738 FBHDOTCZQIELFY-UHFFFAOYSA-N 375.472 4.715 0 50 GJAA Cc1cc(N2CCCC2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 145918299 UYWLJCYCVYTAQA-UHFFFAOYSA-N 380.879 4.687 0 50 GJAA Cc1csc([C@H]2COCCN2c2nc3cc(C(F)(F)F)ccc3s2)n1 189134332 NVZVOMBVYDORPC-GFCCVEGCSA-N 385.436 4.658 0 50 GJAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 239121184 JMJXZVUNVBQREH-AFHBHXEDSA-N 397.858 4.984 0 50 GJAA Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)N[C@@H]1[C@H]2CCCC[C@H]21 239637046 BILSWOJHKFDVQL-VUGINNAHSA-N 396.535 4.615 0 50 GJAA Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cc2c1C 487326450 PMGFETQOOBOBSB-UHFFFAOYSA-N 380.513 4.550 0 50 GJAA O=C(O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 725240698 WXHKKBWBBDRORH-MRXNPFEDSA-N 379.456 4.512 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccco2)Nc2ccccc2-3)cc1 683323 HFHPROZOMGSVJC-IBGZPJMESA-N 388.452 4.927 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 882201 NAEIPSPPGTVXFV-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCOCC3)c2c1 993199 SXKMDACGFAUERP-UHFFFAOYSA-N 380.875 4.644 0 50 GJAA CC(=O)c1cccc(NC(=O)CSCc2ccccc2Br)c1 1137827 AWRQSPZKYHJLRY-UHFFFAOYSA-N 378.291 4.524 0 50 GJAA c1ccc(-c2ccc(-c3n[nH]cc3CN3CCC(N4CCCC4)CC3)cc2)cc1 11820276 LNMQZWBVCFXVIW-UHFFFAOYSA-N 386.543 4.804 0 50 GJAA C[C@@H](CN1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1)c1ccccc1 12437509 YBEWUPRREJFDMF-FQEVSTJZSA-N 392.543 4.570 0 50 GJAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2occc2C)CC1 12756638 ZDIGBCCYOMICAZ-UHFFFAOYSA-N 398.547 4.607 0 50 GJAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 18087941 UJLFYDISOKCPGY-JQBYJRRVSA-N 385.850 4.737 0 50 GJAA biogenic C[C@H]1CN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C[C@@H](C)O1 72453737 ACOGPWKTKWAGNQ-IYBDPMFKSA-N 399.897 4.941 0 50 GJAA O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN1Cc1ccccn1 95527458 TXPZCFJFSZRMDK-DEOSSOPVSA-N 396.494 4.833 0 50 GJAA Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 169759783 JWVSGUMAEHHUEQ-LJQANCHMSA-N 385.826 4.508 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 170629862 JKQYSTLYOSLWLP-UHFFFAOYSA-N 383.376 4.936 0 50 GJAA CC[C@]1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 239339089 LRKCWFYHHUSIOT-IIVHNQSWSA-N 378.343 5.792 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 242273680 YEYLIJMICKWBDJ-QGZVFWFLSA-N 394.327 4.657 0 50 GJAA CCC(CC)CC(=O)N1CCC[C@@H](N(C)C(=O)c2nccc3ccccc23)CC1 1775996695 DXYZEWMTAVKGJE-HXUWFJFHSA-N 395.547 4.514 0 50 GJAA CN(C(=O)c1cc2ccccc2cc1OC[C@H]1C[N@]1CC1CC1)c1ccccc1 1875382234 VQHNGURECRZOEN-AMGIVPHBSA-N 386.495 4.589 0 50 GJAA O=C(Cc1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1 803413 MGSQMVZGSWWIJC-UHFFFAOYSA-N 380.875 4.511 0 50 GJAA CCCN(CCC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 1212684 YVPONGRILAVJPM-UHFFFAOYSA-N 388.508 4.890 0 50 GJAA CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3OC)c(=O)c21 1268535 WVSQFRSNDJCTOA-QFIPXVFZSA-N 378.497 4.794 0 50 GJAA CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccs1 2378891 YDFAUKUIKUSGDO-UHFFFAOYSA-N 386.546 4.683 0 50 GJAA O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O 2949834 KEGQNJITMFBVAC-HNNXBMFYSA-N 384.682 4.587 0 50 GJAA in-vivo COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(C1CC1)nn2C 13961021 YNKSWOBHZHOKAL-UHFFFAOYSA-N 376.243 4.606 0 50 GJAA COc1cc(OC)c(NC(=S)Nc2ccc(F)c(Cl)c2)cc1Cl 16281565 OAJNWDASNNSNSB-UHFFFAOYSA-N 375.252 4.959 0 50 GJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)on1 35511463 PTXUNGLOTVXIHT-HNNXBMFYSA-N 378.270 4.930 0 50 GJAA Cc1ccc(CN(C)[C@@H](c2ccccc2)c2nnnn2-c2ccccc2C)cc1 55447625 MTCGSQUVBZQPHI-QHCPKHFHSA-N 383.499 4.501 0 50 GJAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@H]1c1ccccc1 67954978 YFRMXGKJRUNOIF-KRWDZBQOSA-N 386.810 4.633 0 50 GJAA Cc1ccc(C2(NC(=O)c3coc(COc4cccc5cccnc45)n3)CC2)cc1 67967364 VIGOIPCNFQXRPG-UHFFFAOYSA-N 399.450 4.529 0 50 GJAA Cc1ccccc1CC[C@H]1CCCN(Cc2nnc(-c3ccc(C)n3C)o2)C1 72154849 IEEDQQKIHNWBQD-LJQANCHMSA-N 378.520 4.537 0 50 GJAA COc1ccc2c(C)c(C(=O)N3CCC[C@@H](OCc4ccccc4)C3)oc2c1 91350678 IDWARSFCRCPOAV-LJQANCHMSA-N 379.456 4.571 0 50 GJAA CCC1(CC)CCN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)C1 92028078 NHPOHLRMNRQKCN-UHFFFAOYSA-N 399.516 4.824 0 50 GJAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 225619781 GTONWRGPAFNSKN-MAUKXSAKSA-N 377.488 4.981 0 50 GJAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 229740835 BASNASACFHDNLR-LZQZEXGQSA-N 377.960 4.528 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@@H](O)C(=O)[C@@]12C 257356334 HMBVCMJDBNVJOK-UYXGKFHDSA-N 390.564 4.686 0 50 GJAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cccc(-c2ncccc2OC)c1 426428763 KGNSGISVSPKEBO-QGZVFWFLSA-N 375.472 4.593 0 50 GJAA CCn1ncc(CN(C)C(=O)c2ccc(-c3ccc(Cl)c(C)n3)cc2)c1C 584895680 DOVJASMXOUSGSJ-UHFFFAOYSA-N 382.895 4.507 0 50 GJAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N(Cc1ccc4[nH]ccc4c1)C1CC1)(C3)C2 952971318 CYXXDGIYFWVJRZ-XUVDGOIQSA-N 392.543 4.770 0 50 GJAA CCOc1ccc(C[C@@H](C)C(=O)Nc2n[nH]c(C)c2-c2ccc(C)cc2)cc1 1457423878 AFSARFLUBIUUBM-MRXNPFEDSA-N 377.488 4.910 0 50 GJAA N[C@H](C(=O)N[C@@H](c1ccccc1)c1cc(F)cc(Cl)c1)C1CC2(CCC2)C1 2325827455 GREOULZRYJEUID-PMACEKPBSA-N 386.898 4.592 0 50 GJAA CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)C1 752704 NZYJBUDOIACQKD-UHFFFAOYSA-N 387.432 4.528 0 50 GJAA COc1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 808670 MHKZIXJIHJDFIX-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 896300 BPLCOEHDSBBWHC-ZDUSSCGKSA-N 377.271 4.547 0 50 GJAA CCc1ccccc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O 941296 NWKBTVYFRUSIKQ-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA COc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c(OC)c1 995220 XHFPEWDWHRFDRC-UHFFFAOYSA-N 390.483 4.982 0 50 GJAA O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(Cl)cc1 1803367 YTEAUVHBRYODBD-UHFFFAOYSA-N 375.906 4.564 0 50 GJAA CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 2374467 QKURVIUQBVBWEQ-UHFFFAOYSA-N 397.287 4.596 0 50 GJAA CC(C)(C)c1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1 2999379 PPQUYPDQNLCGNW-UHFFFAOYSA-N 381.501 4.799 0 50 GJAA CC1=C[C@H](C)[C@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@@H](C)C1 4758525 GMXNCELBMADRND-SPEDKVCISA-N 390.593 4.831 0 50 GJAA COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Cl)c1 4973295 FQKLTMBPTQFUGI-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C)c4C)cc3C2=O)c(C)c1 5542307 JQUBZCNPHKRVTI-UHFFFAOYSA-N 398.462 4.973 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 8763222 CJJFMQHAPZNTPG-UHFFFAOYSA-N 398.919 4.790 0 50 GJAA COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@H]3c3ccccn3)ccc2c1 11816749 FZXUFTFRARPTKE-QHCPKHFHSA-N 384.483 4.971 0 50 GJAA COCC[C@H]1CCCCN1Cc1nc(NCc2cccs2)c2ccccc2n1 11909581 WTHGYCRGGYXCJP-QGZVFWFLSA-N 396.560 4.694 0 50 GJAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(Cc2ccc(COC)o2)C1 12206395 ASMKLRRDEVPTGO-IWXKUNQBSA-N 397.515 4.675 0 50 GJAA O=C(NC1CCCC1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 15069422 CYZJEGHEMZITSO-UHFFFAOYSA-N 379.407 4.754 0 50 GJAA O=[n+]1c2ccccc2n(O)c2cc3[nH]c(-c4c(Cl)cccc4Cl)nc3cc21 34771993 VADMUBPYWXJYKP-UHFFFAOYSA-N 398.229 4.796 0 50 GJAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(CSc3ccccn3)cc2)c1 65432516 YBFAIEBCYGDONZ-GOSISDBHSA-N 391.540 4.781 0 50 GJAA CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C 239433498 XTXJCNLNKMWVKO-MYCYEZBNSA-N 379.588 6.417 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCCCCCC4)csc3C2)nc1 426582821 MSCOUFRFHUAWHN-UHFFFAOYSA-N 397.588 4.670 0 50 GJAA CCCOc1c(Cl)cccc1NC(=O)CCC(=O)N(C)C1CCCCC1 952971670 OTCQJXKNYXDJPF-UHFFFAOYSA-N 380.916 4.639 0 50 GJAA OC1([C@@H]2CCCN2Cc2ccccc2OCc2c(F)cccc2Cl)CC1 1772818273 BTYIFHXSQJZBBD-FQEVSTJZSA-N 375.871 4.547 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Br)cc1 704126 OJPCLDUOLKPGGO-UHFFFAOYSA-N 382.279 4.502 0 50 GJAA CCOc1cc2c3c(c1)[C@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@@H]2C 1051267 NFWGQDGMLRQLPK-LFVRLGFBSA-N 378.472 4.513 0 50 GJAA O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1cc(Cl)ccc1Cl 1161723 NBPQGMSHYZQLFY-UHFFFAOYSA-N 380.296 4.984 0 50 GJAA O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2cc1O 1173331 CMDCIGWVMVGEGF-UHFFFAOYSA-N 375.207 4.892 0 50 GJAA CC(C)NC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 2876925 HPHPDVKVLINILN-UHFFFAOYSA-N 386.451 4.701 0 50 GJAA COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 4350409 HWECYXGTXXNLNJ-UHFFFAOYSA-N 398.484 4.705 0 50 GJAA Cc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 4759543 NFUJOIDFYZKSAG-UHFFFAOYSA-N 398.462 4.850 0 50 GJAA Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc12 4809595 RLQKXKZOIJTLTD-UHFFFAOYSA-N 396.244 4.918 0 50 GJAA CCN(Cc1ccccc1)C(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 4939477 JGQUYOVUWDUVLF-UHFFFAOYSA-N 377.465 4.978 0 50 GJAA CCOC(=O)C(CCCCCOc1ccc(C(C)(C)C)cc1)C(=O)OCC 4949700 FHCTVGWUPXDVBD-UHFFFAOYSA-N 378.509 4.666 0 50 GJAA COc1ccc(CN[C@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)O)cc1 5359842 VTYYKGBUENXXGF-JOCHJYFZSA-N 395.499 4.559 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@H](C)c2ccc(C)cc2C)s1 6708560 GVLDEGDMQRGXAQ-CYBMUJFWSA-N 376.547 4.762 0 50 GJAA CCn1ccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 11932989 DBWARSPHBMXJPX-FQEVSTJZSA-N 381.907 4.737 0 50 GJAA CCC(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 12454687 LMLXJQGWSZGZRI-UHFFFAOYSA-N 392.474 4.781 0 50 GJAA COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 14964309 DVFRNSDRCFYOAD-OAHLLOKOSA-N 381.394 4.540 0 50 GJAA CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1O 15010579 PCKHQKVQOOVJAF-YBEGLDIGSA-N 389.860 4.681 0 50 GJAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)c(Cl)c1 44902292 FQQOSSHNGHHFEY-MRXNPFEDSA-N 376.243 4.974 0 50 GJAA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCCC[C@H]3C)c2C)cn1 63869946 FDKBGVCJCIKTGP-MRXNPFEDSA-N 376.504 4.750 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 64800765 NPCOKGCTHAQPMA-UHFFFAOYSA-N 381.867 4.866 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC(CO)CC1 71753016 XWENSLSNIHVHTN-UHFFFAOYSA-N 378.472 4.647 0 50 GJAA Cc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccn1 119243113 UFTBZSQXTBOTNV-OAHLLOKOSA-N 397.866 4.505 0 50 GJAA O=C(Nc1cccc(OC(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622947 KCPRZLARZKMUPS-UHFFFAOYSA-N 399.275 4.609 0 50 GJAA Fc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 239415255 UBOFBYIAIZNMQI-XLIONFOSSA-N 384.863 5.783 0 50 GJAA Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccccc1OCCn1ccnc1)CC3 495216403 CRRIBJXHDGWITR-GOSISDBHSA-N 386.499 4.721 0 50 GJAA Cc1ccccc1C(F)(F)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 1435695379 SSTXHZDPUOGJCG-UHFFFAOYSA-N 379.366 4.929 0 50 GJAA CCO[C@H](C)c1nc(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cs1 1875258849 JXMGEZDMBNAZCO-LSDHHAIUSA-N 397.500 4.919 0 50 GJAA Cc1cc2c(C[C@@H](O)C(Cl)(Cl)Cl)nc(-c3ccccc3)nc2s1 824038 VRACCCATEMJPMC-CYBMUJFWSA-N 387.719 4.940 0 50 GJAA CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 850649 RNYPUHTVOMRVEL-UHFFFAOYSA-N 386.407 4.546 0 50 GJAA Cc1c(C)n(C(=O)CSc2nnc3sc4ccccc4n23)c2ccccc12 986286 QFARREGEVOTTFX-UHFFFAOYSA-N 392.509 4.948 0 50 GJAA CC1CCC(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)CC1 2788462 VVQAWQYPNVCZJQ-UHFFFAOYSA-N 382.291 4.535 0 50 GJAA COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 2859404 DQENGEIFGFDBKU-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 12302020 SBGOTHISZNHTGQ-UHFFFAOYSA-N 386.927 4.502 0 50 GJAA Cc1occc1C(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12307756 WQCDWBKBEGPIJT-NRFANRHFSA-N 395.547 4.670 0 50 GJAA Cc1nn2c(ncc3c(=O)n(-c4ccccc4)ccc32)c1-c1ccc(Cl)cc1 12407157 QHYUCZBECSMQSV-UHFFFAOYSA-N 386.842 4.662 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3ccccc3C)C2)n1 14881779 REIQUDSRBCMAHZ-LJQANCHMSA-N 389.474 4.919 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)CC1CCCC1)O2 14950879 NSYLQXNUKSHDLN-FQEVSTJZSA-N 377.484 4.556 0 50 GJAA COc1nc(C)cc(C)c1CNCc1cnc(-c2ccc3ccccc3c2)nc1 55392921 SSSANHKGZCGBFT-UHFFFAOYSA-N 384.483 4.607 0 50 GJAA COc1ccnc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 67692836 LMXWCBHNZOSARB-UHFFFAOYSA-N 396.874 4.511 0 50 GJAA Cc1nc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)c(C)o1 71750707 MWEKCZFWTLDRMW-HNNXBMFYSA-N 380.410 4.795 0 50 GJAA CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)n2)cc1 100622217 ZMSHIFMKDNYFDC-ONIAQPFYSA-N 384.501 4.619 0 50 GJAA COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(c2ccn[nH]2)CC1 119818818 MJTXGUYXWJDKFB-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA CC(C)(C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 170636742 PXGDADNGFLRJOZ-UHFFFAOYSA-N 394.515 4.755 0 50 GJAA Fc1ccccc1-c1csc(CNC2CCN(CCc3ccccc3)CC2)n1 225636994 VOKHSOPXCYJMPF-UHFFFAOYSA-N 395.547 4.746 0 50 GJAA O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCCC[C@@H]1c1ncon1 490066403 YPZOQRVMOPKQIR-GOSISDBHSA-N 383.835 4.883 0 50 GJAA O=C(Nc1nc(-c2ccccc2)no1)N[C@@H](c1ccc(F)cc1)C1CCCC1 1476371920 XGHNZNSMHFATPW-GOSISDBHSA-N 380.423 4.929 0 50 GJAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCCCc3cc(Cl)ccc32)CC1=O 2325820008 XWHLUBNIZOXGMO-APWZRJJASA-N 396.918 4.619 0 50 GJAA CCCCc1nc(CN2CCc3ccc(F)c(Br)c3C2)cs1 2325827335 CFXOFOZEGGMBKJ-UHFFFAOYSA-N 383.330 4.946 0 50 GJAA Cc1cccc2ccc(C(=O)NCc3ccccc3-c3cccc(C(=O)O)c3)nc12 2325852193 VWVUDZSIUFTARH-UHFFFAOYSA-N 396.446 4.838 0 50 GJAA COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1 1151822 YENUGHBNAPDZGC-UHFFFAOYSA-N 375.424 4.784 0 50 GJAA Cc1ccc(-c2nn3c(C)nnc3s2)cc1NCc1c(F)cccc1Cl 2362993 YGMSKMQPOMMMKE-UHFFFAOYSA-N 387.871 4.874 0 50 GJAA CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 2835592 VALZAXZAAONWHG-UHFFFAOYSA-N 376.909 4.599 0 50 GJAA C[C@@H](NC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12)c1nccs1 12306072 YUNNEXALDNNWCV-SNVBAGLBSA-N 388.905 4.664 0 50 GJAA Cc1cc(C)cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19920494 OUGJLTLLSHIGLJ-UHFFFAOYSA-N 384.523 4.851 0 50 GJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CCc1ccccn1)C2 67868273 VQQRPKOVKKDQDQ-UHFFFAOYSA-N 380.875 4.545 0 50 GJAA O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1 95508826 WGSPIOZCOVZVCI-HXUWFJFHSA-N 379.460 4.550 0 50 GJAA COc1ccccc1Oc1ccccc1NC(=O)N1CCOC2(CCCC2)C1 96138501 JLNWNXCAQZZSBM-UHFFFAOYSA-N 382.460 4.664 0 50 GJAA C[C@@H](NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 164324139 FWWZPZCABHQSMP-MRXNPFEDSA-N 399.487 4.872 0 50 GJAA CCc1cccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1 169759744 SEDHTPLWVVICMW-FQEVSTJZSA-N 381.863 4.623 0 50 GJAA CCCn1ccnc1CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 170613647 MYVZLMOTIKASCU-IAGOWNOFSA-N 393.453 4.507 0 50 GJAA O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F 218898479 FTYBIYQLIOKOLF-UHFFFAOYSA-N 396.768 4.554 0 50 GJAA CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(-c2ccccc2)no1 238937280 UXMBLGSAWABRQJ-LJQANCHMSA-N 388.427 4.519 0 50 GJAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCc2cccc3[nH]ccc23)c1 299759827 NQELYHQRXJOTNP-KRWDZBQOSA-N 376.504 4.864 0 50 GJAA CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2c(=O)s1)c1nc2ccccc2[nH]1 823491158 IDMKBFVNIZCOMT-DJJJIMSYSA-N 391.496 4.655 0 50 GJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1Cl 827848303 HMSRIWXHYJHNSA-UHFFFAOYSA-N 380.822 4.784 0 50 GJAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccccc1-c1ccccc1 827879927 UZWCAJFRLZBPCG-GOSISDBHSA-N 391.515 4.608 0 50 GJAA COc1cccc(C2(NC[C@@H](O)COc3ccc(C)cc3C)CCCCC2)c1 1875343990 AUTKIWYVINHJQK-OAQYLSRUSA-N 383.532 4.501 0 50 GJAA Cc1c(O[C@@H](C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 622186 BGEVOTWGOHBDHG-HSZRJFAPSA-N 386.403 4.973 0 50 GJAA biogenic COc1cc(OC)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 1110198 FDWBDWXAORZBGI-UHFFFAOYSA-N 393.439 4.544 0 50 GJAA Brc1c(OCc2nc(-c3ccncc3)no2)ccc2ccccc12 1125260 AFTNKQKJZYZWFK-UHFFFAOYSA-N 382.217 4.626 0 50 GJAA O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1COc2ccccc2O1 1150062 VXDOVWIMYXZJDL-OAQYLSRUSA-N 377.465 4.757 0 50 GJAA Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2815717 XAWTYXXTFADKOZ-UHFFFAOYSA-N 394.780 4.987 0 50 GJAA CCOC(=O)c1ccc(NC(=S)Nc2cc(C(C)(C)C)ccc2OC)cc1 2851328 HZJCJHTVUMKBDE-UHFFFAOYSA-N 386.517 4.978 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1 2978141 MEAJOGMIHBMKFC-UHFFFAOYSA-N 398.488 4.777 0 50 GJAA O[C@H](COc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1 4819384 ZVIKABZTZWVELV-NRFANRHFSA-N 381.903 4.782 0 50 GJAA O=C(CCC1CCN(Cc2cccn2-c2cccnc2)CC1)Nc1ccccc1 11667902 ZDLRQLUQVAPWHN-UHFFFAOYSA-N 388.515 4.503 0 50 GJAA COc1cc(OC)c(NC(=S)Nc2cc(Cl)ccc2OC)cc1Cl 13736906 IRUGROPYQAXJKC-UHFFFAOYSA-N 387.288 4.828 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(CCCC(F)(F)F)C2)c(C)c1 14954181 ONKGQKLGIOPTGG-MRXNPFEDSA-N 386.458 4.777 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)CC2CCCC2)C3)c1 14992361 NPCYMBLNUCBMJT-UHFFFAOYSA-N 395.499 4.672 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)on2)cc1 21525436 GZDALJGXUFNSHZ-LJQANCHMSA-N 382.847 4.981 0 50 GJAA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)c1 43083339 HLKOWYPBZNROHE-QGZVFWFLSA-N 383.442 4.743 0 50 GJAA CCN(Cc1cnn(CC)c1)C(=O)[C@](C)(Nc1ccc(C)cc1)c1ccccc1 65383037 JHZGMUZCWUPLSX-XMMPIXPASA-N 390.531 4.587 0 50 GJAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1cccc(NCc2ccccn2)c1C 65430030 PUCAOQLOGTZALF-QGZVFWFLSA-N 389.503 4.730 0 50 GJAA Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)n1 101480553 WOWFPNRGXLWOHZ-YEWWUXTCSA-N 387.936 4.502 0 50 GJAA COc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C 651018 FZCDIGKVYGDGHP-UHFFFAOYSA-N 397.478 4.786 0 50 GJAA aggregator Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2 689022 HATTWJLHUIGQHO-UHFFFAOYSA-N 396.446 4.869 0 50 GJAA CC(C)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 1114723 NRVVREKLPDFDOX-UHFFFAOYSA-N 376.422 4.791 0 50 GJAA CN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1 2485412 QEJXATUAZKKSSH-UHFFFAOYSA-N 378.382 4.611 0 50 GJAA CCOc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)cc1 2836670 CQUADWCOASLZEG-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 4832717 FPUZGQDDYOOCFG-UHFFFAOYSA-N 393.487 4.966 0 50 GJAA Nc1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 6392449 GMCCAQCUFDMXGL-YUMQZZPRSA-N 385.889 4.785 0 50 GJAA Cc1oc(-c2ccc(F)cc2F)nc1CN(CC1CCC1)C[C@H]1CCCO1 12200370 UGMLEHRJPAOUII-QGZVFWFLSA-N 376.447 4.709 0 50 GJAA COc1cccc([C@H](C)N(C)C(=O)c2cc(COc3cc(C)ccc3C)on2)c1 12298172 BCBXHTIHAHHNPU-KRWDZBQOSA-N 394.471 4.712 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1 12301602 IOCAABZTXJMNBJ-IBGZPJMESA-N 385.577 4.898 0 50 GJAA COC(=O)c1ccc(OC)c(CN(C(=O)c2ccc(C)cc2)C2CCCCC2)c1 13961000 ZCTZLAFVCHKXPI-UHFFFAOYSA-N 395.499 4.765 0 50 GJAA O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC[C@@H]2CCCC[C@H]2C1 14967977 OKPNHEPIDTZSIA-KBPBESRZSA-N 392.858 4.698 0 50 GJAA CN[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](NC)c1cccc(C(F)(F)F)c1 22028559 SBGOGHODWUZHIY-HOTGVXAUSA-N 376.344 4.945 0 50 GJAA CN[C@@H](c1cccc(C(F)(F)F)c1)[C@H](NC)c1cccc(C(F)(F)F)c1 22576661 SBGOGHODWUZHIY-IYBDPMFKSA-N 376.344 4.945 0 50 GJAA Cc1cc(CNC(=O)c2ccc([C@@H]3CCCN3CC3CCCC3)s2)ccn1 23619786 CCJCZGKIKLRMQW-IBGZPJMESA-N 383.561 4.709 0 50 GJAA Cc1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)n(C2CCCCC2)n1 48435991 UGXSWRKYLAQQHR-UHFFFAOYSA-N 377.492 4.507 0 50 GJAA O=C([C@@H]1CC12CCC2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67867358 YDFRVBIDEWZSRJ-SFHVURJKSA-N 383.875 4.624 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN(C)Cc1ncc[nH]1 72409416 FOZPVCWDJKKVCZ-UHFFFAOYSA-N 392.890 4.919 0 50 GJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccnc1N1CCCCC1 189086303 VNKQFFXEYIRVLX-MRXNPFEDSA-N 386.565 4.793 0 50 GJAA O=C(NCc1csc(-c2cccs2)n1)c1ccc([C@H]2CCCO2)s1 828166465 UQZCCDNDRGDRRS-GFCCVEGCSA-N 376.528 4.715 0 50 GJAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@]2(CCC[C@H]2O)C1 1704299748 SJBPDIUGOXOIGB-GDBMZVCRSA-N 376.806 4.518 0 50 GJAA COc1ccc(-c2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)o2)cc1 798303 SCXYXXRLDKCPNR-UHFFFAOYSA-N 395.436 4.609 0 50 GJAA CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 1146575 WEJVVYWGPONBOF-CYBMUJFWSA-N 376.909 4.598 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 2470647 JWGGEUZQSKDXAM-UHFFFAOYSA-N 390.468 4.606 0 50 GJAA CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 5102209 GPHWDEDNCMAKLO-RGEXLXHISA-N 396.512 4.581 0 50 GJAA Fc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)c(F)c1 11878260 CZEAHMRCTYLJJX-QFIPXVFZSA-N 392.534 4.600 0 50 GJAA COc1cccc(CN(C)Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)c1 12209598 CNZQJTDHKXRNEK-UHFFFAOYSA-N 396.487 4.616 0 50 GJAA COc1ccc(CCn2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1OC 13497309 HKEJDUFKIPARFO-UHFFFAOYSA-N 375.881 4.521 0 50 GJAA Clc1ccccc1Cc1noc(CN2CCCC[C@H]2CCc2ccccn2)n1 13595579 BBGMVTDKNUNVNS-IBGZPJMESA-N 396.922 4.696 0 50 GJAA CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 15837607 GUFBQYZPEUTWFD-BOPFTXTBSA-N 389.860 4.988 0 50 GJAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 20605897 UZBIAADTKNTXTG-ZDUSSCGKSA-N 387.625 4.918 0 50 GJAA CC(C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1 71415836 HJRFWSKUDREGTB-OAHLLOKOSA-N 385.817 4.850 0 50 GJAA CCCOc1c(Cl)cc(CNc2cccc3c2OCC[C@@H]3O)cc1OCC 184065080 OXUPVFXBBOHKED-SFHVURJKSA-N 391.895 4.956 0 50 GJAA COc1ccc(CNCC[C@@H]2[C@H](C)CN(C)[C@@H](C)[C@H]2Cc2ccccc2)cc1 245232584 YGTJKNIFCYOPGW-GCYXNMHMSA-N 380.576 4.620 0 50 GJAA CC(C)c1cnc(-c2ccc(NC(=O)N3CCC(c4ccncn4)CC3)cc2)o1 416862602 YHYJKJDEEIUCRV-UHFFFAOYSA-N 391.475 4.667 0 50 GJAA Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NCC1(N2CCCCC2)CCCC1 670442351 HGBXSEQDCWOAST-UHFFFAOYSA-N 399.579 4.508 0 50 GJAA COc1ccc(OC)c(NC(=O)Oc2cc(C)c(Br)cc2C)c1 640873 HRUJUNFRBJPADM-UHFFFAOYSA-N 380.238 4.694 0 50 GJAA O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 729981 HXSCKPKBENPUGE-UHFFFAOYSA-N 377.494 4.971 0 50 GJAA Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC2CC2)o1 1052811 BKHONXQRZHXDIW-UHFFFAOYSA-N 388.876 4.711 0 50 GJAA CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 1089442 QPXNWPCWYBPIJF-KRWDZBQOSA-N 384.907 4.765 0 50 GJAA Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 1185936 AQHPBXQEVLIJCD-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA Cc1cc2c(c(SCC3=NC4(CCCC4)Cc4ccccc43)n1)C(=O)OC2 1428507 KGNIESGLGSAEQB-UHFFFAOYSA-N 378.497 4.511 0 50 GJAA O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(c3ccccc3[nH]c2=O)O1 4626183 UNZNISKXWBWGPY-HXUWFJFHSA-N 397.430 4.548 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(F)cccc2F)cc1 11946286 RYHLWQCOMMMIGX-LJQANCHMSA-N 395.453 4.902 0 50 GJAA O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)C1CCCC1 12075141 XWEOCGCVGVKXTN-UHFFFAOYSA-N 392.503 4.595 0 50 GJAA Cc1csc(CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)n1 12387634 KFVNEPUFCWSUQK-UHFFFAOYSA-N 391.496 4.650 0 50 GJAA Fc1cccc(-c2n[nH]cc2CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1 12437729 AHEMQOAXEHTFCX-SFHVURJKSA-N 386.421 4.571 0 50 GJAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C3C4CC5CC(C4)CC3C5)C2)o1 15063007 DPFSNROVIAGSSI-LEBZOEITSA-N 384.564 4.521 0 50 GJAA FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3c3nccs3)n2)cc1 20294221 YWXBJDIGYOFJFT-CQSZACIVSA-N 394.422 4.939 0 50 GJAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 22455430 ALEFCVQKRMTJIQ-ZAOIQFLMSA-N 388.477 4.967 0 50 GJAA COc1ccccc1CN(Cc1cccnc1)Cc1cccn1-c1nccs1 55413078 JWBFPRUQJCATLA-UHFFFAOYSA-N 390.512 4.540 0 50 GJAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC4(CCCC4)C3)cnc21 77406522 UFFVWUBLYCMEHA-UHFFFAOYSA-N 394.906 4.695 0 50 GJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 95511630 UNDPYNHBQRDBPT-OAHLLOKOSA-N 384.911 4.838 0 50 GJAA CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O 585091588 BYWYWLKBKIJAAJ-UHFFFAOYSA-N 382.847 4.893 0 50 GJAA Cc1ccc(-c2nc(C(=O)Nc3nc(C)c(C)s3)c(N3CCCCC3)o2)cc1 1775976247 PRUCXIFRNWIVFZ-UHFFFAOYSA-N 396.516 4.966 0 50 GJAA Oc1nc(S)nc2nc(/C=C/c3ccccc3)c(/C=C/c3ccccc3)nc12 1776004094 NXEZUXWQCHKUBS-PHEQNACWSA-N 384.464 4.755 0 50 GJAA O=C(NCc1ccccc1Cl)N1CCC(c2cccc3cnccc23)CC1 1875263933 DVKXOAQJCBFXIX-UHFFFAOYSA-N 379.891 4.977 0 50 GJAA Cc1cc(Br)c(O)c(NC(=O)c2ccnc(-c3ccccc3)c2)c1 2325840464 BCFQUNIFEJUSAO-UHFFFAOYSA-N 383.245 4.777 0 50 GJAA Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc(Br)cc1 624211 ZSUAQTOTZXJAEM-UHFFFAOYSA-N 377.263 4.695 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)c3ccccc3n2)cc1OC 994611 GBVRTAVUDUMMRW-UHFFFAOYSA-N 399.450 4.875 0 50 GJAA CNC(=O)c1cc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)ccc1OC 1243373 LULSKHIYHQTDLR-UHFFFAOYSA-N 398.466 4.717 0 50 GJAA Cc1cccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c1 2180090 YPFWLCDKOQQBSL-QJOMJCCJSA-N 399.446 4.797 0 50 GJAA FC(F)(F)c1c2c(nc3cc(-c4ccc(Br)cc4)nn13)CCC2 4677134 LJQTWAJJOLZWQH-UHFFFAOYSA-N 382.183 4.666 0 50 GJAA Cc1cc(NCc2cccnc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5324005 WJAKJHIQBHHGKW-UHFFFAOYSA-N 383.377 4.731 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 11814819 HCKGENYKXUCTOJ-MRXNPFEDSA-N 387.439 4.866 0 50 GJAA Cc1ccc(OCc2cc(C(=O)N3CC[C@@H](c4ccccc4F)C3)no2)cc1C 12112280 XYLFJBAXBCHSFN-QGZVFWFLSA-N 394.446 4.639 0 50 GJAA O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc3ccccc3c1)CCO2 12158719 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GJAA Cc1nc(-c2ccc(C(F)F)cc2)sc1C(=O)N1CCOC[C@H]1C1CCC1 2325829022 YMGHLFWJRVLORZ-INIZCTEOSA-N 392.471 4.697 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 1081630 VIEOAWKHSGCSNG-LBPRGKRZSA-N 376.547 4.669 0 50 GJAA CCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 1219083 BFFZOZLQFZVZJH-UHFFFAOYSA-N 381.657 4.703 0 50 GJAA O=C(Nc1cccc(Br)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2187804 LCBFADDLEIBTDB-HNNXBMFYSA-N 385.088 4.903 0 50 GJAA Cc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O 2830034 HRWMDSQVERALTH-QGZVFWFLSA-N 398.462 4.533 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2850627 UJGJSTMYQCIHNQ-SNVBAGLBSA-N 388.183 4.874 0 50 GJAA CCOC(=O)c1c(NC(=S)NCc2ccco2)sc2c1CCCCCC2 2857438 UEOLLEOYVUBDSF-UHFFFAOYSA-N 392.546 4.663 0 50 GJAA NC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCCC2 4143497 ZWAIRKQVVLIXGE-UHFFFAOYSA-N 386.561 4.661 0 50 GJAA C/C=C(\C)CN1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 11934516 OXFBYDMPLGQUME-JJPRUIFNSA-N 378.516 4.979 0 50 GJAA COc1cccc(CNCC[C@@H]2CCC(=O)N2[C@H](C)c2ccc(Cl)cc2)c1 14884101 MQNXLUZZVRFOQD-UZLBHIALSA-N 386.923 4.581 0 50 GJAA Cc1noc(C)c1C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19580070 FLAXQROSSBDTMC-SFHVURJKSA-N 383.423 4.843 0 50 GJAA O=C(Nc1ccc(Br)cc1)c1cccnc1NCc1ccccc1 20407019 KOUACWBYVGKVSM-UHFFFAOYSA-N 382.261 4.709 0 50 GJAA CCCOC(=O)N1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 95522389 VULXUJIPSJRECY-UHFFFAOYSA-N 396.487 4.559 0 50 GJAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 124062594 JIXRTDIJXFIAQE-KZNAEPCWSA-N 396.556 4.954 0 50 GJAA CC(C)c1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 253427379 ZHQYQXCMMBRAPX-KRWDZBQOSA-N 383.513 4.709 0 50 GJAA C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2c(O)cccc21 469217231 DWMBQKIXYKIXEH-WQVCFCJDSA-N 391.389 4.935 0 50 GJAA COc1ccc(CCNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1OC 644906 BPTHCRCOVYVDDM-UHFFFAOYSA-N 385.847 4.590 0 50 GJAA Cc1cccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)c1 722307 UNZZOPGMSVUIIG-UHFFFAOYSA-N 390.508 4.979 0 50 GJAA CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1 1019116 LVYLRHZFTXQJCR-UHFFFAOYSA-N 390.270 4.889 0 50 GJAA NC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1113101 WREKUTLYZGNNDI-UHFFFAOYSA-N 375.211 4.605 0 50 GJAA COc1ccc(-c2csc3nc(Cc4ccccc4)oc(=O)c23)cc1OC 1120859 WFAYXDUALURQLM-UHFFFAOYSA-N 379.437 4.525 0 50 GJAA COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 1516956 YGFUWHLAZVNHKO-UHFFFAOYSA-N 392.436 4.904 0 50 GJAA O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 2856861 LCWBBVMAGCKOIZ-UHFFFAOYSA-N 394.814 4.573 0 50 GJAA COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1OC(F)F 2861386 VKFPRSQTAUYACQ-UHFFFAOYSA-N 386.192 4.620 0 50 GJAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc4ccccc4o3)N3CCC[C@@]23C1=O 11661713 VBSYGXLASLKXHP-WATLYSKOSA-N 386.495 4.679 0 50 GJAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2ccc(F)cc2Cl)CC1 11839951 AZZUVOVXHNWUPW-GOSISDBHSA-N 397.918 4.584 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2F)c(C)n1 15075761 SFZYQJZLCMJELS-XMMPIXPASA-N 388.490 4.980 0 50 GJAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 20603332 CGWZBZZTYHDAKG-UHFFFAOYSA-N 383.370 4.860 0 50 GJAA CCc1cccc(CC)c1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 55070027 QLXBXJKURVHPIB-UHFFFAOYSA-N 399.966 4.534 0 50 GJAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)c1 245256802 TUMMYJOEZSOHAQ-URXFXBBRSA-N 386.451 4.946 0 50 GJAA Fc1ccc(F)c2c1CCN(Cc1nnc(-c3c(Cl)cccc3Cl)o1)C2 437521358 SWPJGMLBJYOPAE-UHFFFAOYSA-N 396.224 4.880 0 50 GJAA O[C@@H]1CCC[C@@]12CCCN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2 1704345480 XULATHDOZLJSBD-MJGOQNOKSA-N 396.478 4.956 0 50 GJAA CC(C)(C)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CC3CCC1CC3)CCC2 1875342915 MVRRKXSIAXARBJ-YMAMQOFZSA-N 388.577 4.778 0 50 GJAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 2325708716 YGBBSJCWGGNMMG-AEFFLSMTSA-N 388.508 4.708 0 50 GJAA Cc1ccc(OCC(=O)Nc2nc(-c3nccc4ccccc34)cs2)cc1 2325871615 RZOQIUWYKDVENW-UHFFFAOYSA-N 375.453 4.684 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccn2)Nc2ccccc2-3)cc1 795586 ZHKRAIURCCWPOG-FQEVSTJZSA-N 399.479 4.729 0 50 GJAA Cc1ccc(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 808655 OHONZWIZKDSTOH-QGZVFWFLSA-N 385.722 4.771 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 1185360 QVGCNERAKXAVNE-UHFFFAOYSA-N 397.265 4.909 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc3c4c(cccc24)CC3)NC(=O)N1 1215652 WGUCZGAKGMFCAH-QHCPKHFHSA-N 397.478 4.513 0 50 GJAA CSc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(F)(F)F)cc2)cc1 2527270 HNIGAKORFNKDPO-UHFFFAOYSA-N 378.375 4.978 0 50 GJAA in-vitro CCO[P@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)c1ccccc1 2694732 OFJAWDNIQTVLPN-DEOSSOPVSA-N 384.199 4.661 0 50 GJAA O=c1c2c([nH]c3c(-c4cccc5ccccc45)c(Cc4ccccc4)nn13)CCC2 5034977 QVLAMBPQVIRWDV-UHFFFAOYSA-N 391.474 4.922 0 50 GJAA COc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(C=O)cc1C=O 5073363 NNAJOFALWMPKPI-JOCHJYFZSA-N 384.435 4.676 0 50 GJAA O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccncc2)CC1 12307809 KCNSEMDSCKUGBR-UHFFFAOYSA-N 389.474 4.738 0 50 GJAA O=C(Nc1cccc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20149328 JULBFAFYDDWVHH-UHFFFAOYSA-N 389.474 4.765 0 50 GJAA CCCNC(=O)c1ccc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1 20363913 YTVDILDTAFBRJB-GOSISDBHSA-N 395.528 4.880 0 50 GJAA CCOC(=O)C1CCC(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 36620791 NJRNQQNXIVLWFC-GXOAENINSA-N 392.927 4.556 0 50 GJAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](Cc4ccc(F)cc4)C3)cc2)n1 77472561 FVHLKJGHWXCTDC-HXUWFJFHSA-N 391.490 4.723 0 50 GJAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 110046371 RMQSGXKESXUHTE-QRWLVFNGSA-N 386.499 4.560 0 50 GJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCCC1 117842805 KWBSWUDNXUVCEG-UHFFFAOYSA-N 379.456 4.655 0 50 GJAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118933604 CVNYHSDFZXHMMJ-ZSCIIPKCSA-N 390.564 4.686 0 50 GJAA Cc1noc(C)c1COc1ccc(CNc2ccc3c(c2)OC(C)(C)O3)cc1 119364688 QCUFPKLOLZBLCI-UHFFFAOYSA-N 380.444 4.990 0 50 GJAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 239128756 KSWKLOAMEVZQLV-ZRGHVXQMSA-N 383.447 5.168 0 50 GJAA CCCC(=O)Nc1ccc(NC(=O)c2sc(C(C)C)nc2C)cc1OC 952973797 RZONGHQKGAWXIZ-UHFFFAOYSA-N 375.494 4.574 0 50 GJAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N[C@@H](C)C2=CCCCC2)cc1 1704314127 OXRNYPQCNWLYHF-INIZCTEOSA-N 395.503 4.569 0 50 GJAA COc1c(S(=O)(=O)Oc2cccc3ccc(C)nc23)ccc(Cl)c1Cl 1875322995 RBCCTVZXENQIRV-UHFFFAOYSA-N 398.267 4.626 0 50 GJAA O=C(O[C@H](CSc1nc[nH]n1)c1ccccc1)c1cc(C(F)(F)F)cs1 2325876375 SVRPTVMXBLNCCW-GFCCVEGCSA-N 399.419 4.575 0 50 GJAA COc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1OC 1117353 ZHQITOUBWMOGPH-UHFFFAOYSA-N 387.229 4.839 0 50 GJAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 1181794 NCTJQPIHRRTYBY-PKNBQFBNSA-N 389.436 4.614 0 50 GJAA CCOC(=O)C1=C(NC(=O)Cc2ccccc2)c2ccccc2CC1(CC)CC 2295328 ZXUWNDYEUABBFX-UHFFFAOYSA-N 391.511 4.682 0 50 GJAA CCc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(CC)cc2)cc1 2748963 YHWYTMBTZSCQEH-UHFFFAOYSA-N 384.545 4.902 0 50 GJAA CC(C)(C)c1ccc(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 4023834 DVYBVKFTMYYDAH-UHFFFAOYSA-N 376.378 4.958 0 50 GJAA COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 4839191 YFGODWFTHUUZKJ-UHFFFAOYSA-N 390.483 4.942 0 50 GJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 6783477 FAVXUZRMCDZDOX-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(-c4cccnc4)nc3)nc12 63872437 RIZWHKJPKZKSQW-UHFFFAOYSA-N 397.482 4.543 0 50 GJAA O=C(c1c(O)cccc1O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71753153 HVHKKCMKHKQEBQ-HNNXBMFYSA-N 393.405 4.602 0 50 GJAA O=C(C1CCN(Cc2ccco2)CC1)N1CCCC[C@@H]1CCc1cccs1 95380559 LPMBMFQKCDAPJD-LJQANCHMSA-N 386.561 4.567 0 50 GJAA C[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CCCO1 171643127 DNDKXOLHZVRGAT-CYBMUJFWSA-N 385.464 4.745 0 50 GJAA Cc1csc(-c2ccc(NC(=O)N[C@H]3CCO[C@H](c4cccnc4)C3)cc2)n1 454686441 LZCGYJLBBZCSCU-OALUTQOASA-N 394.500 4.555 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2cscn2)n1 1875331430 GYISOXYSRXFKBN-ZETCQYMHSA-N 386.658 4.749 0 50 GJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c1 678818 JTZWMRDYWDRUFM-LLVKDONJSA-N 392.908 4.695 0 50 GJAA COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1OC 848945 JWCVFXXWAHKVHX-UHFFFAOYSA-N 392.386 4.903 0 50 GJAA CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)ccc1C 992863 HQTTXEOZFSLGEV-HSZRJFAPSA-N 387.435 4.734 0 50 GJAA Cc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCCC1 1059148 IQIBBQIZRGLHBX-UHFFFAOYSA-N 386.542 4.836 0 50 GJAA COc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)oc12 1108652 BKSWWDDKQCJDMH-UHFFFAOYSA-N 397.736 4.726 0 50 GJAA Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1C 1130751 GZSUEUHHHHDGIA-UHFFFAOYSA-N 397.500 4.613 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 1171191 KEVDHZLDECKNSV-UHFFFAOYSA-N 382.407 4.619 0 50 GJAA CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 1182510 XADCXRNAFUCPSM-NRFANRHFSA-N 377.488 4.693 0 50 GJAA CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770847 IMKMZVXFAGDCSZ-ZDUSSCGKSA-N 386.831 4.834 0 50 GJAA O=C(CCSCCC(=O)NC1CCCCCCC1)NC1CCCCCCC1 4646782 PTOYMBLXSJYYAJ-UHFFFAOYSA-N 396.641 4.958 0 50 GJAA COc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccc(Cl)cc2)c1 4811190 SYMXLGOLNQSVFZ-RTBURBONSA-N 384.863 4.508 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(Br)cc2)s1 5950065 KTEAACUSQFTTNC-UHFFFAOYSA-N 399.335 4.669 0 50 GJAA COc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Cl 6442859 RJZVZBVQRWOCRP-UHFFFAOYSA-N 386.835 4.785 0 50 GJAA COc1ccc2cc(-c3n[nH]cc3CN[C@H](C)c3csc(C)n3)ccc2c1 11664738 XDSLVFPVGNYESJ-CYBMUJFWSA-N 378.501 4.854 0 50 GJAA O=C(NC[C@@H]1CCCN(C(=O)C2CCCCCC2)C1)c1cccc2ccccc12 12716077 FTPHVMIBTCLNPP-IBGZPJMESA-N 392.543 4.779 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccc(F)c2)C1 15004415 AJJRNHQGIVTPMV-IBGZPJMESA-N 396.535 4.626 0 50 GJAA Cc1ccc(NC(=O)Cc2noc(-c3cc(Cl)ccc3Cl)n2)cc1C 16579414 YIUMLNSABPFUPA-UHFFFAOYSA-N 376.243 4.841 0 50 GJAA Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)cnn2-c2ccccc2)cc1 19908486 UUCICQOSNLOYHS-UHFFFAOYSA-N 396.450 4.685 0 50 GJAA CCc1cccc(C)c1NC(=O)C(=O)CC(=O)c1ccc(Cl)cc1Cl 100742294 VRZXVJNQPUDAGK-UHFFFAOYSA-N 378.255 4.645 0 50 GJAA CC1(C)CN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC[C@@H]1C(F)(F)F 191992862 WPUDMSCVELGVAB-ZDUSSCGKSA-N 378.778 4.511 0 50 GJAA C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1nc(Cc2ccc(Cl)cc2)no1 192347440 NDMJVGFGWSOIRE-ACJLOTCBSA-N 383.879 4.748 0 50 GJAA Fc1cccc(OCc2noc([C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 225572549 YCCWWDFFBFMJNF-KBXCAEBGSA-N 392.789 4.825 0 50 GJAA O=C(OC[C@@H]1CSc2ccccc2O1)c1cc(Oc2ccccc2)ccn1 745950268 KJVNZELFHLDSJW-QGZVFWFLSA-N 379.437 4.584 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@H](c1ccccc1F)N(C)C 952990625 RTFSYNFTBYTSFO-NRFANRHFSA-N 397.494 4.504 0 50 GJAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC(c2nccs2)CC1 1875332305 VYGIKXIOSOEMBG-UHFFFAOYSA-N 388.496 4.706 0 50 GJAA CC(C)OC(=O)[C@@H](OC(=O)c1ccc(SC(F)F)cc1)c1ccccc1 2325875579 WYTIXXGRRUUBFW-INIZCTEOSA-N 380.412 4.851 0 50 GJAA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 872730 ZSVCYSWIMFTESD-AWEZNQCLSA-N 382.287 4.747 0 50 GJAA COC(=O)Cc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O 2095422 AQWTZLOIQXKBNA-RMKNXTFCSA-N 398.842 4.563 0 50 GJAA biogenic Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1C 2825726 WLQYIHZQHBESOS-UHFFFAOYSA-N 381.501 4.971 0 50 GJAA COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 2861540 NCCNHLMCIOELQA-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881875 PSGAAPLEWMOORI-DODYZMPZSA-N 386.532 4.655 0 50 GJAA Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1C 4593105 QXOVDCBUUHNOSP-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA Cc1nc(=S)sn1-c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4599246 NTQQNLFKYORBKQ-UHFFFAOYSA-N 393.501 4.644 0 50 GJAA COc1ccccc1NC(=O)[C@@H]1CC12CCN(CC[C@H](C)c1ccc(C)o1)CC2 12133399 NHAWIMIHFZOBHP-HKUYNNGSSA-N 396.531 4.831 0 50 GJAA COc1ccc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1OC 12706599 QVDGTXQIVVFRNN-OAQYLSRUSA-N 391.515 4.674 0 50 GJAA COc1ccc(-n2ccc(-c3sc(NCc4ccsc4)nc3C)n2)cc1 14991822 FHKKOPJCTGLXFH-UHFFFAOYSA-N 382.514 4.986 0 50 GJAA COc1ccc(-c2nc(CN3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)cc1C 15069689 ZCTIDGPLETVOOJ-IBGZPJMESA-N 384.520 4.794 0 50 GJAA Fc1ccc2nc(CN3CCc4c([nH]c5ccccc45)[C@@H]3c3ccccn3)[nH]c2c1 20600183 ZHWRMGUEVDORDH-DEOSSOPVSA-N 397.457 4.726 0 50 GJAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1 67920094 GGOFTHXXOYJMFF-OAHLLOKOSA-N 398.894 4.609 0 50 GJAA CCN(Cc1coc(-c2cccc(F)c2)n1)CC1CCN(c2ccccn2)CC1 174391890 SPBMQQZGHCAPAF-UHFFFAOYSA-N 394.494 4.614 0 50 GJAA CCCN(CCc1cccs1)C(=O)c1sc(NC(=O)C2CC2)cc1C 184136585 RRXCXRHEYMCSOK-UHFFFAOYSA-N 376.547 4.561 0 50 GJAA Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)cc(C)n1 216206129 YELFXKDHPHPWBG-UHFFFAOYSA-N 379.891 4.632 0 50 GJAA Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1-c1cccc(Cl)c1 252498350 QZIMOJIPQYFLMH-UHFFFAOYSA-N 380.757 4.500 0 50 GJAA CN(C)[C@H]1CCCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 823662627 LVWIFTYOGSTZPY-KRWDZBQOSA-N 376.903 4.584 0 50 GJAA O=C(Cc1ccc2ocnc2c1)OCc1csc(-c2cc3ccccc3o2)n1 2325852703 PFRBJUZCHXCAIQ-UHFFFAOYSA-N 390.420 4.983 0 50 GJAA COC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CC[C@@H](C)C2 655669 PSPFCBMCMKMFEL-SNVBAGLBSA-N 395.427 4.513 0 50 GJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1 1107003 IPIQQTWBUMLHSQ-UHFFFAOYSA-N 385.645 4.686 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(C)cc1 1903867 VWOOEZHFTONAOD-UHFFFAOYSA-N 375.490 4.593 0 50 GJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 2754553 NSMXRCRPALVFNO-CQSZACIVSA-N 383.854 4.705 0 50 GJAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl 4744600 GVBIPULDLSFDNI-MRXNPFEDSA-N 385.291 4.745 0 50 GJAA COc1ccc(OC)c(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)c1 11668040 DYVASEYIKAVCSK-NRFANRHFSA-N 393.487 4.789 0 50 GJAA CC(=O)c1ccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CC(C)C)O3)s1 12005069 ACHXDORAQPOUFZ-OAHLLOKOSA-N 391.920 4.737 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C[C@H]2CC=CCC2)CC1 12299441 ZBZVAZGIHMWMPJ-IBGZPJMESA-N 391.515 4.881 0 50 GJAA Cc1ccsc1CN1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 14965918 WEQRKCIOHYFXPP-GOSISDBHSA-N 398.601 4.857 0 50 GJAA COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1OC 25781815 XFZIGCVQWKSTKY-VGOFRKELSA-N 376.412 4.539 0 50 GJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCC1 113161866 WOAPUHMPKSQFJV-NRFANRHFSA-N 379.456 4.511 0 50 GJAA O=C(O)CCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 238050994 MNYLPFAOEZBKNW-UHFFFAOYSA-N 375.424 4.535 0 50 GJAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@@H](c1ccc(F)cc1)c1cccs1 242273444 YCSUNQJJGMRZSS-KZWQEXHZSA-N 399.531 4.814 0 50 GJAA Cc1nnc(S[C@H](C)c2nnnn2C2CCCCC2)n1[C@H]1CCC[C@H](C)C1 248676533 AKCNTOMIAAXYGR-VBQJREDUSA-N 389.573 4.683 0 50 GJAA CC(C)c1noc(-c2ccnc(N3CC[C@H](C(F)(F)F)C4(CCC4)C3)c2)n1 328779986 GWFXZEBDJUBZLS-AWEZNQCLSA-N 380.414 4.814 0 50 GJAA C[C@H](OCC1CC1)C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 920791999 KFDKFLINZARWPF-INIZCTEOSA-N 395.499 4.957 0 50 GJAA CN(C)C1CCN(c2ccc(NCc3ccc4cccnc4c3)cc2F)CC1 2325721019 BNSBPJRHVHYTPQ-UHFFFAOYSA-N 378.495 4.516 0 50 GJAA CCn1c([C@H](O)c2ccc(OCc3ccccc3)c(OC)c2)nc2ccccc21 860981 ATEKTYMXBNZHIN-HSZRJFAPSA-N 388.467 4.726 0 50 GJAA Cc1cccc(OC(=O)C2[C@@H](c3ccccc3)C(C(=O)O)[C@@H]2c2ccccc2)c1 885231 DXSMLZYGZQMMFC-SIYKVTCMSA-N 386.447 4.799 0 50 GJAA Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 1142191 SISPEBJQFYTMFV-UHFFFAOYSA-N 385.423 4.730 0 50 GJAA O=C(COc1ccc2ccccc2c1)Nc1cccc(NC(=O)c2ccco2)c1 1406994 IEQZOGHYZDJHIR-UHFFFAOYSA-N 386.407 4.703 0 50 GJAA Cc1nn(C)cc1-c1cc(C(F)(F)Cl)c2c(C)nn(-c3ccccc3)c2n1 2733810 REDHOMQXEOPPBU-UHFFFAOYSA-N 387.821 4.726 0 50 GJAA Cc1cccc(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1 2798784 UYAMVRRATGOPII-UHFFFAOYSA-N 385.817 4.561 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 2821704 TYURMSZTMLWGTK-MRXNPFEDSA-N 375.490 4.726 0 50 GJAA CN(C(=O)c1cc2ccccc2s1)[C@@H]1CCCN(CCc2ccccc2)C1 12093537 XTNPCHLTQKBELO-HXUWFJFHSA-N 378.541 4.680 0 50 GJAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)O3)cc1 12279635 GDWUAEWYQHOXPI-LFUWLEDKSA-N 391.536 4.707 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccco2)C1)Nc1ccc(C(F)(F)F)cc1 12299142 YQBLNIVTGJSNHP-HNNXBMFYSA-N 380.410 4.929 0 50 GJAA COCC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 12387608 XDAHRNRTMXUZHS-UHFFFAOYSA-N 393.506 4.845 0 50 GJAA O=C(Nc1ccccn1)c1ccc([C@@H]2CCCN2C(=O)CC2=CCCCC2)s1 19840930 HIXNWAMQADCGIA-KRWDZBQOSA-N 395.528 4.949 0 50 GJAA O=C(CSCc1cccc(Br)c1)NCc1ccc(Cl)cc1 20238286 KYPGVTFMLNVQNT-UHFFFAOYSA-N 384.726 4.652 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(C)c1 65364111 KJAMUDNFPGYOHT-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA OCC1(Cc2ccccc2C(F)(F)F)CCN(c2ccc(Cl)cn2)CC1 67935205 CMMPQKGRKZNJBK-UHFFFAOYSA-N 384.829 4.575 0 50 GJAA Fc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1F 128737336 ABANXBDEOKZGIT-CYBMUJFWSA-N 393.484 4.756 0 50 GJAA O=C1C[C@H](c2noc(CCCc3ccccc3)n2)CN1c1ccc(F)c(Cl)c1 169759507 SNWGHRWAIXKANK-HNNXBMFYSA-N 399.853 4.558 0 50 GJAA C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1nc(Cc2ccc(Cl)cc2)no1 192347422 NDMJVGFGWSOIRE-SCLBCKFNSA-N 383.879 4.748 0 50 GJAA CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 195529483 CHKIYNDAMSPSOR-WSWKGWCUSA-N 386.586 4.935 0 50 GJAA COc1ccc(Cl)cc1-c1cccc(C(=O)N(C)[C@@H](C)c2nc(C)no2)c1 299803197 ZTMZAGQRVFPCER-LBPRGKRZSA-N 385.851 4.540 0 50 GJAA Cn1nc2ccccc2c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 475496758 PLBWEZYSYYSYPB-HXUWFJFHSA-N 394.478 4.617 0 50 GJAA CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1CC(=O)O 1772718133 RYIJWVQATDTXJM-INIZCTEOSA-N 393.483 4.758 0 50 GJAA COc1ccc(Cl)cc1-c1nnc2n1N=C(c1cc3ccccc3o1)CS2 1875342570 XWARKQMJAHVYHF-UHFFFAOYSA-N 396.859 4.711 0 50 GJAA C[C@H](CNC(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 2325725279 PAUCWNALTKEEOF-KBMIEXCESA-N 390.502 4.767 0 50 GJAA O=S(=O)(c1ccccc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 705371 FDELUQRXGVDOGE-UHFFFAOYSA-N 396.855 4.890 0 50 GJAA COc1ccc(O[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1050844 ISEYJDOWMVDUJC-INIZCTEOSA-N 388.678 4.509 0 50 GJAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1 1062193 RRWDFRLGOIMWST-UHFFFAOYSA-N 376.799 4.761 0 50 GJAA CC1CCN(C(=S)SCC(=O)n2c3c(c4ccccc42)CCCC3)CC1 1183065 VNGFAEUVOOTSMI-UHFFFAOYSA-N 386.586 4.910 0 50 GJAA COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC 1429039 PUFQMHLZUQAOPO-UHFFFAOYSA-N 375.468 4.656 0 50 GJAA O=C1C[C@H](c2ccccc2OCc2ccccc2)c2cc3c(cc2N1)OCCO3 1460048 ZXHDOCHMCIYLEB-GOSISDBHSA-N 387.435 4.511 0 50 GJAA Cc1cc(Cl)ccc1OCCNC(=O)C(c1ccccc1)c1ccccc1 2999445 WSSSGBOFKBSTCQ-UHFFFAOYSA-N 379.887 4.976 0 50 GJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 9259108 LPEYMOARUXYFOX-UHFFFAOYSA-N 375.266 4.686 0 50 GJAA Fc1ccc(F)c(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)c1 11878658 WAIIKTMFLRWDCM-QFIPXVFZSA-N 392.534 4.600 0 50 GJAA Cc1ccc(-c2cccc(CN3CCC[C@H](CCC(=O)N4CCCC4)C3)c2)o1 12459843 ADAPXOAPBFVTHD-HXUWFJFHSA-N 380.532 4.870 0 50 GJAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 12718292 BRWZEIZFASLXPT-INIZCTEOSA-N 388.471 4.592 0 50 GJAA O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1N1CCCCC1 17945123 BCCSQAHCNALBMG-UHFFFAOYSA-N 383.289 4.948 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccc(C)c(C)c3n2)cn1 63856672 DLDMMGKNCDYFNX-HNNXBMFYSA-N 376.504 4.607 0 50 GJAA Cc1ccc2nc(C)c(C(=O)N3CCC(Sc4ccccc4C)CC3)n2c1 97307289 VLSWWCQAYIRJTE-UHFFFAOYSA-N 379.529 4.656 0 50 GJAA Cc1ccc(N2CCC(C(=O)Nc3ccc(C)c(-c4nc(C)co4)c3)CC2)nc1 120791561 YVWNYAVRLAVHNV-UHFFFAOYSA-N 390.487 4.517 0 50 GJAA Cc1cc(-c2noc([C@@H](C)Nc3ccc4c(c3)CCCC(=O)N4)n2)ccc1F 171435592 KQCRSYNCIZEFGX-CYBMUJFWSA-N 380.423 4.632 0 50 GJAA COCCc1noc([C@@H]2CCCCN2Cc2ccc(C3CCCC3)s2)n1 215567704 QBPDNWNUDAYSHC-KRWDZBQOSA-N 375.538 4.705 0 50 GJAA CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 252457167 ILIQCPUJGFTWBR-GUDVDZBRSA-N 387.524 4.531 0 50 GJAA Cc1ccc2oc(C(=O)N3CCC(c4nc(C(F)(F)F)cs4)CC3)cc2n1 295621600 NGAZQTJZCPDEEJ-UHFFFAOYSA-N 395.406 4.631 0 50 GJAA O=C(O)[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1326503607 WDIRPPDBAOWXAD-IAGOWNOFSA-N 399.796 4.558 0 50 GJAA Cc1ccc(SC[C@@H](C)N=c2[nH]cnc3cc(Br)sc23)cc1 1875341297 NYRFQTOFVRDHCH-LLVKDONJSA-N 394.363 4.777 0 50 GJAA O=C(N[C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1)c1cccnc1Oc1cccnc1 2325724784 BAYOXCMSYZRXSR-SHTZXODSSA-N 397.837 4.737 0 50 GJAA CCC[C@H](C)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 1049275 RBFOZBOUCJIRAF-AWEZNQCLSA-N 394.500 4.946 0 50 GJAA CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OCC 1067851 DRWFRFDMHIDJME-UHFFFAOYSA-N 377.506 4.717 0 50 GJAA Nc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(N)c12 1085770 UUORUNXCJNOQKI-UHFFFAOYSA-N 378.478 4.589 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 1113475 SZKGGEVHKLXDDN-PKNBQFBNSA-N 396.830 4.846 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl 1218955 QKIDMKKVPLPGJX-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA O=C(O)/C(=C\c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 3809663 LPWVUDLZUVBQGP-FLIBITNWSA-N 376.195 4.798 0 50 GJAA in-vitro CC1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 3864448 ZYDRSSLYIKMBKE-RZTYHALVSA-N 383.576 4.626 0 50 GJAA CCCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 4178477 XAOUZHPXAKVFQM-UHFFFAOYSA-N 381.516 4.734 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1nc2c(Cl)cccc2s1 5063702 BRVVBQJPKZIBTN-UHFFFAOYSA-N 397.681 4.730 0 50 GJAA Cc1ccccc1-c1cccc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)c1 11712177 GBJKUOQXEBKSJG-JOCHJYFZSA-N 399.538 4.699 0 50 GJAA CCc1ccc(CN2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 11821320 WLKOSXVGTXCOAE-OAQYLSRUSA-N 391.471 4.632 0 50 GJAA CSc1ccc(C(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 12468181 UMXOAYUMEXQGTK-HSZRJFAPSA-N 383.557 4.646 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)s1 19740230 LAKIIGLCFPJOLS-SFHVURJKSA-N 394.544 4.785 0 50 GJAA CO[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 72418254 YCWLQVJMEOYGDF-QFIPXVFZSA-N 379.479 4.598 0 50 GJAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 220074635 PDTUOVVUNHWBAU-XMMPIXPASA-N 375.443 4.535 0 50 GJAA CN(C)c1ccc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)cc1 225729879 DNDBRWQLRRTKIH-UHFFFAOYSA-N 383.492 4.671 0 50 GJAA O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(N2CCc3ccccc32)CC1 410281200 GFQHMAIZNCQWNN-DQEYMECFSA-N 396.534 4.997 0 50 GJAA O=C(c1n[nH]c2ccc(F)cc12)N(CCc1ccccc1)CCc1ccccc1 1875322422 SDAIVWQBPLOTTL-UHFFFAOYSA-N 387.458 4.630 0 50 GJAA CCc1ccccc1-n1nc(CC2CCCCC2)nc1C[C@H](C)n1ccnc1 1875348362 OMNNLMZHNUTBLW-SFHVURJKSA-N 377.536 4.953 0 50 GJAA CC1=NOC2(CCN(C(=O)Nc3cccc(C(C)(C)C(F)(F)F)c3)CC2)C1 2325790983 DIQDZXKCSKQPHH-UHFFFAOYSA-N 383.414 4.689 0 50 GJAA Cc1ccccc1-c1cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2n1 995165 WMDLNJBVYJMIHM-UHFFFAOYSA-N 381.435 4.561 0 50 GJAA Cc1ccc(-n2c(-c3cccc(C)c3)nc3c(cnn3-c3ccccc3)c2=O)cc1 1184667 DVUGYDCGGNOGIV-UHFFFAOYSA-N 392.462 4.855 0 50 GJAA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1CCCC[C@H]1C(=O)O 1200118 OFOFPJBOJSZDEW-WDEREUQCSA-N 399.299 4.946 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccccc2Cl)n2cnc(-c3ccco3)cc12 2529474 OROVHFYYYGQWOH-UHFFFAOYSA-N 394.814 4.655 0 50 GJAA COc1cc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 2872170 KBFSQMRFBGTGAY-UHFFFAOYSA-N 389.517 4.741 0 50 GJAA Cc1ccc([C@@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 4176795 KPFUWROQPLANME-FQEVSTJZSA-N 396.537 4.905 0 50 GJAA aggregator COc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 54979064 CHAODOXDIRNDOZ-VMPITWQZSA-N 391.540 4.654 0 50 GJAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@]2(C)CC1 257358147 RXOKKASEHMRJLZ-DAMRUUDFSA-N 386.532 4.980 0 50 GJAA Cc1cc(C(=O)O[C@H](CN(C)Cc2ccccc2)C2CC2)nn1C1CCCCC1 1875357665 QHAKGMVAXAQZER-HSZRJFAPSA-N 395.547 4.764 0 50 GJAA COc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 674760 ZVFYSWBTJOYCSF-UHFFFAOYSA-N 392.293 4.907 0 50 GJAA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 2982535 MUDPKBWRTAPHOA-UHFFFAOYSA-N 377.655 4.913 0 50 GJAA O=C(O)c1cccc(/C=C2\C[C@H]3C[C@@H](O)[C@H](/C=C/[C@@H](O)C4CCCCC4)[C@H]3C2)c1 4217054 OINUMRGCICIETD-CGKNXJIZSA-N 396.527 4.673 0 50 GJAA in-man COc1cccc(C(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)c1 11933008 FBUVXIDJPIEAKN-KRWDZBQOSA-N 396.512 4.815 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccoc3)C2)cc1 12716904 SBGZDTFANVPYAH-FQEVSTJZSA-N 390.483 4.806 0 50 GJAA Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 15825213 MPDWDSJLZOELHU-UHFFFAOYSA-N 388.475 4.773 0 50 GJAA CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(CC)s3)nc21 20615621 TXCBZDLZASOWGD-UHFFFAOYSA-N 397.422 4.613 0 50 GJAA COc1ccccc1CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)C1CCCC1 95391892 UOAKXOWVWJWMST-UHFFFAOYSA-N 375.472 4.670 0 50 GJAA C1=CC([Sn](c2ccccc2)(C2C=CC=C2)C2C=CC=C2)C=C1 169816807 AQDGQYOZBJAHGQ-UHFFFAOYSA-N 391.102 4.831 0 50 GJAA O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[C@H]1c1c(F)cccc1F 170628979 IXJQBDOWBMYQSL-OLZOCXBDSA-N 390.773 4.515 0 50 GJAA O=C(NCc1ccccc1COCc1ccccc1)C1(C(=O)c2ccccc2)CC1 225581283 VKEVBCUWRZTTLT-UHFFFAOYSA-N 399.490 4.683 0 50 GJAA CC(=O)OCCN(C[C@H]1[C@@H](C)CC(C)=C[C@H]1C)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C 239025466 BRHVDTJVVBPNCJ-BLLLPLFDSA-N 375.597 5.328 0 50 GJAA Cc1ccc(N2CCCC2=O)cc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 299779200 SUAKFUXXCDBEMX-OAQYLSRUSA-N 377.488 4.663 0 50 GJAA O=C(Cc1ccc(C2CCCCC2)cc1)NC1CCC(O)(c2cccnc2)CC1 832320862 ZEVAYKOEXZNFDB-UHFFFAOYSA-N 392.543 4.618 0 50 GJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1C 706793 AWJZUNQIOCLWSB-UHFFFAOYSA-N 378.302 4.838 0 50 GJAA Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1cc2ccccc2oc1=O 950482 KKBHPWXQGZKLKA-UHFFFAOYSA-N 384.387 4.552 0 50 GJAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Br)c1 1094362 HONOFNXCXVQDBX-UHFFFAOYSA-N 379.685 4.955 0 50 GJAA COC(Cn1c2c(c3cc(C)ccc31)CCC[C@@H]2NCc1ccccc1)OC 1215823 PFXPDLRBEHXLIW-NRFANRHFSA-N 378.516 4.736 0 50 GJAA COc1cc(CNCc2ccncc2)ccc1OCc1c(F)cccc1Cl 4413628 JDRGZHVCCGQYED-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)c1cccs1 12092895 RRGOWGZHYBVEPD-SFHVURJKSA-N 398.572 4.712 0 50 GJAA CC(C)c1cc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n[nH]1 12434087 VUXPHQNOIHNVPE-HNNXBMFYSA-N 379.426 4.647 0 50 GJAA CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 13330163 UOTADVLIAUOWAA-LLVKDONJSA-N 394.743 4.594 0 50 GJAA COc1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)ccc1F 20206553 JSWYMRBZENZHIZ-XMMPIXPASA-N 387.458 4.858 0 50 GJAA CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CC)c3n2)cc1 20605682 YHJRNCMRUCKXIL-UHFFFAOYSA-N 379.407 4.722 0 50 GJAA Cc1csc([C@H](C)N(C)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)n1 42442423 TXGAHFSQTLWBOF-MAUKXSAKSA-N 391.968 4.679 0 50 GJAA COCc1nn2c(-c3ccc(OC)cc3)ccnc2c1-c1cccc(Cl)c1 72115521 NRDDRQHVSAZEMM-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA Cc1ccc(Sc2ccc(CN3CCC[C@@]4(CC3)CN(C)C(=O)O4)o2)cc1 72145071 WIXXQWPMGCLEHY-OAQYLSRUSA-N 386.517 4.546 0 50 GJAA CN(Cc1cc(C2CC2)on1)C(=O)Nc1ccc(OCc2cccs2)cc1 96140159 UNRLHWSINBLJIB-UHFFFAOYSA-N 383.473 4.856 0 50 GJAA O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CCC(c2ccn[nH]2)CC1 189380284 NXILRQBWWYEQJK-UHFFFAOYSA-N 388.899 4.654 0 50 GJAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 240871416 IKJQCLLYSPWOGO-YZLZLFLDSA-N 390.955 4.570 0 50 GJAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1SCc1cccs1 241277612 LHOYKFIYDMXTTQ-BHIYHBOVSA-N 385.554 4.728 0 50 GJAA Cc1c(C(=O)Nc2ccccc2)cnn1-c1ncc(C(F)(F)F)cc1Cl 261495030 QWVOVZATBNKCSP-UHFFFAOYSA-N 380.757 4.500 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1 526056078 OXPNNZBVXGGSPG-FQEVSTJZSA-N 396.487 4.700 0 50 GJAA CCN1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)OC(C)(C)C)C1 1775964810 FBPPVIPYRBNART-UHFFFAOYSA-N 392.565 4.600 0 50 GJAA CO[C@H](c1noc([C@H](C)Oc2ccc(Cl)nc2)n1)c1ccccc1Cl 1875259576 XNGKRQCXGDENJO-BONVTDFDSA-N 380.231 4.647 0 50 GJAA CCc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O 959591 YQWZIWNWLGUWDR-UHFFFAOYSA-N 376.364 4.960 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc(C)c1C 1773771 BGVZELQNASXVHI-UHFFFAOYSA-N 375.490 4.648 0 50 GJAA Cc1cccc2c(C(=O)Nc3ccc4c(c3)OCO4)cc(-c3cccnc3)nc12 6401606 KOMRQFSQUCLCJW-UHFFFAOYSA-N 383.407 4.586 0 50 GJAA CC(C)c1nc2cccnc2n1C1CCN([C@H](C)CCc2ccc(O)cc2)CC1 11787323 AJAKEJMXBIRJQL-GOSISDBHSA-N 392.547 4.919 0 50 GJAA O=C(c1cscn1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 11814836 GACGVACNHJJZIH-HXUWFJFHSA-N 377.444 4.551 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2c(C)nn(C)c2Cl)cc1 12438915 DQFUZMYTDYOVQB-LJQANCHMSA-N 397.954 4.679 0 50 GJAA CCCSc1ncc(Cl)c(C(=O)Oc2ccc(Br)cc2)n1 16474212 BAILNYDNCVZVOY-UHFFFAOYSA-N 387.686 4.614 0 50 GJAA Cc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)cc3Cl)n2)cc1C 16579350 FYZHTCMIXXCZIR-UHFFFAOYSA-N 376.243 4.841 0 50 GJAA CCCCCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 17223157 DJDQVIVKUNIWPQ-HNVSCKTLSA-N 376.500 4.710 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1 23192319 RNTDUEDMTAAQPT-SFHVURJKSA-N 389.528 4.769 0 50 GJAA O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(CO)(CCCc2ccccc2)CC1 67919673 HSAHPSPOCVOTNL-UHFFFAOYSA-N 394.490 4.545 0 50 GJAA Cc1noc(-c2ccc(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)cc2)n1 170616404 GTLWPAWGKGJIAT-LLVKDONJSA-N 390.270 4.885 0 50 GJAA Cc1ccc2nc(SCCC(=O)N(C)Cc3c(C)noc3C)cc(C)c2c1 219245730 DCHVOQVAMLOIAM-UHFFFAOYSA-N 383.517 4.597 0 50 GJAA Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 263617402 NPKLXCJZXQXJFP-GOSISDBHSA-N 381.863 4.605 0 50 GJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@@H]1C[C@@H]1c1cccs1 1857798599 QDEZCWUUZQNJFB-QWHCGFSZSA-N 375.906 4.586 0 50 GJAA O=C(O)[C@@H](c1cccc2ccccc12)N1CC[C@H](COCc2ccccc2)C1 1875282825 UEMYUHARJACAIQ-WMZHIEFXSA-N 375.468 4.504 0 50 GJAA Cc1cnn(Cc2ccc(NC(=O)NCC(C)(C)c3ccccc3C)cc2)c1 2325725856 FZRHMTFTBHWAON-UHFFFAOYSA-N 376.504 4.648 0 50 GJAA N[C@H](CCNC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)Cc1ccccc1 2325866412 JWFQMMMLCXOULC-KSEOMHKRSA-N 399.966 4.626 0 50 GJAA CCc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 939632 DRNRWYFXXJFIJW-UHFFFAOYSA-N 394.780 4.704 0 50 GJAA O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 990826 ZZYQZRJAEBORKT-SFHVURJKSA-N 385.213 4.823 0 50 GJAA COc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC 1097585 YYXRVOBGAKJLIL-CYBMUJFWSA-N 390.277 4.557 0 50 GJAA O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccc(Cl)cc1 1117659 SCGPPWQVJDVKTN-UHFFFAOYSA-N 396.668 4.565 0 50 GJAA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2C)cc1 1185313 KHQFWFNKBTUYAM-FQEVSTJZSA-N 382.847 4.601 0 50 GJAA O=c1cc(CSc2ncc(C(F)(F)F)cc2Cl)c2ccc(O)cc2o1 2648225 WGQODJHDVVAAFQ-UHFFFAOYSA-N 387.766 4.858 0 50 GJAA CNC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 2668297 QNGUFBJPKUGMFT-SDNWHVSQSA-N 396.556 4.936 0 50 GJAA CC[C@@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(=O)OC)C1 2764016 CAQPUJYCRNPLIP-CYBMUJFWSA-N 389.542 4.780 0 50 GJAA CCc1sc(-c2nnc(S)n2-c2ccccc2C)cc1Br 2792197 CYKSBYZGUYVWHD-UHFFFAOYSA-N 380.336 4.918 0 50 GJAA COC(=O)c1ccc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)cc1 4788994 RRDRXWGBAPJIMR-WVBUVRCRSA-N 382.456 4.636 0 50 GJAA CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 4983389 QONRQALSXOAURD-UHFFFAOYSA-N 395.890 4.604 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=O)CSc4ncccn4)cc3)sc2c1 6206822 LFXBUJPUCSWSOI-UHFFFAOYSA-N 392.509 4.793 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 15065585 QYSGABCJNJJNND-SFHVURJKSA-N 375.424 4.807 0 50 GJAA C/C(=C\c1ccccc1)CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 22914268 PFBROMPXQUZCCM-WVLWKRQNSA-N 393.550 4.516 0 50 GJAA COc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1CN1CCCC1 67833703 HSDXKAJAGDLGBJ-UHFFFAOYSA-N 375.852 4.508 0 50 GJAA CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 170603732 YRBKZQFNGXPTPX-PZJWPPBQSA-N 393.449 4.912 0 50 GJAA C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 241644375 PQGBIFMTTCGWLW-KKSFZXQISA-N 390.483 4.738 0 50 GJAA O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 715851952 SQXAMZGYCSFLRF-VOIUYBSRSA-N 391.467 4.512 0 50 GJAA Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c2[nH]ncc12 746002665 GDHXBYWJQYNACZ-NRFANRHFSA-N 397.434 4.578 0 50 GJAA Cc1noc2ncc(NC(=O)c3cc(-n4cccc4)cc(C(F)(F)F)c3)cc12 1875320951 ORWRMYPIDFCQKB-UHFFFAOYSA-N 386.333 4.593 0 50 GJAA Cc1ccncc1[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2onc(C3CC3)c12 2325721432 APUQCMGDFGOEQX-CYBMUJFWSA-N 388.427 4.555 0 50 GJAA COc1ccc(NC(=O)Oc2ccc(OCc3ccccc3)cc2)c(OC)c1 641566 JWSGAZHXXZNZFC-UHFFFAOYSA-N 379.412 4.894 0 50 GJAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 755057 QWZIDJDSJNJVBQ-JOCHJYFZSA-N 385.463 4.808 0 50 GJAA CCOc1ccc2nc(SCC(=O)Nc3ccccc3OCC)sc2c1 856762 VQRAQWKYSPISTK-UHFFFAOYSA-N 388.514 4.825 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1Br 951032 OPKIORARNINPSL-VZUCSPMQSA-N 390.277 4.897 0 50 GJAA C[C@]1(C(=O)Nc2ccc3ccccc3c2)CC1(Br)Br 2322851 HPWXIQNJBDNUCU-CQSZACIVSA-N 383.083 4.674 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=O)c4nn(C)cc4Cl)cc3)sc2c1 2756365 TUIFEHIERJRYHX-UHFFFAOYSA-N 382.876 4.911 0 50 GJAA CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2OC)o1 2862771 IVYJFFNLKBMOOV-UHFFFAOYSA-N 397.500 4.601 0 50 GJAA CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C 4717212 CJNLULVRNIRSID-TZIWHRDSSA-N 376.500 4.794 0 50 GJAA Cc1ccc(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 4808072 IITHDBNSDXCEAQ-UHFFFAOYSA-N 386.403 4.736 0 50 GJAA biogenic c1ccc(CCN(Cc2ccccc2)C2CCN(Cc3cccnc3)CC2)cc1 4818794 AYLLUPLLELUZEU-UHFFFAOYSA-N 385.555 4.791 0 50 GJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 5745596 ZLQKVQPQSXSLMN-GBXCKJPGSA-N 384.435 4.966 0 50 GJAA COC(=O)c1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1 12471871 GWWHYCJSHKDKHE-KRWDZBQOSA-N 399.494 4.971 0 50 GJAA CCOc1cc(CNCCN(C)C)c(Cl)cc1OCc1ccccc1Cl 19691230 WAFAGZWVEYSVAS-UHFFFAOYSA-N 397.346 4.622 0 50 GJAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCO3)c1 19794623 RMHXLUZUOQIXEZ-VWLOTQADSA-N 398.462 4.750 0 50 GJAA COc1cc(Cl)ccc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44125219 XQJYQMDBBLKTKC-JOCHJYFZSA-N 392.886 4.874 0 50 GJAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1 67974284 WWGYQBMZFNPGSB-GOSISDBHSA-N 384.907 4.869 0 50 GJAA c1cn(Cc2nncn2C2CCCCC2)c(-c2ccc([C@H]3CCCO3)s2)n1 72168230 FEYVXIJNHDVSFB-MRXNPFEDSA-N 383.521 4.608 0 50 GJAA CC(=O)Nc1cccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C 133077301 DBKPUTGJGXDUCB-UHFFFAOYSA-N 391.258 4.922 0 50 GJAA CC(C)c1ccc(OCC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1 170629022 OJPRFHSYDTUODW-LJQANCHMSA-N 380.532 4.531 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2C)cc1 239439110 ZLHNHDHHBZTYSM-WNRNVDISSA-N 396.512 4.532 0 50 GJAA Cc1nc(-c2cccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)c2)no1 426739113 VRXAEDBLWIADNZ-UHFFFAOYSA-N 383.398 4.583 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC(OCc3ccccn3)CC2)s1 1506410002 CFGSJIXLDDCVOX-UHFFFAOYSA-N 379.529 4.695 0 50 GJAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCCCC12CC2 1857733722 WFCGESIVPCKVSC-HNNXBMFYSA-N 387.911 4.633 0 50 GJAA OC1(c2c(F)cccc2F)CN(Cc2cc(Cl)ccc2OC2CCCC2)C1 2325826637 HUACKVMZHMBVHB-UHFFFAOYSA-N 393.861 4.643 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 637475 KVOILRVSIMOGCR-CYBMUJFWSA-N 377.271 4.602 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 754066 VILGWMCHSWBXRX-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA Cc1cccc(O[C@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1 825890 GWEGVFYTZFVCMN-HNNXBMFYSA-N 388.678 4.997 0 50 GJAA Cc1ccc(Nc2ccc3nnc(-c4ccc(Br)cc4)n3n2)cc1 1170341 UOCHVDQBJUUBRZ-UHFFFAOYSA-N 380.249 4.606 0 50 GJAA Cc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(C(=O)c4ccccc4)o3)c2c1 1445968 XCPSMPFGOJJYHT-UHFFFAOYSA-N 386.451 4.581 0 50 GJAA CC[C@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1 3626944 HETRQTLKVFABGG-KBXCAEBGSA-N 389.879 4.565 0 50 GJAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl 4744602 GVBIPULDLSFDNI-INIZCTEOSA-N 385.291 4.745 0 50 GJAA Cc1c(O)ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc12 4755489 JEFLLNVGLPRDDZ-UHFFFAOYSA-N 386.329 4.679 0 50 GJAA CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 4841911 QAEGPEIVTIARER-UHFFFAOYSA-N 387.892 4.602 0 50 GJAA CN(Cc1ccccc1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 12301867 AJUVXQWQYABABK-UHFFFAOYSA-N 381.888 4.988 0 50 GJAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NCc1cccc2cnccc12 12437427 UXMPYWCGZCLHCQ-QGZVFWFLSA-N 389.547 4.953 0 50 GJAA CCCc1ccc(OCc2ccc(-c3nnc(S)n3C[C@H]3CCCO3)o2)cc1 17081750 NWKXZYPWRKIIMA-QGZVFWFLSA-N 399.516 4.537 0 50 GJAA COc1cccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)Cc2cccnc2)c1 19739950 ZQGCQCKHGHISHD-LJQANCHMSA-N 398.510 4.664 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)c1 152609670 ZKXVAANJTOJEAT-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA CCC[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(F)cc1 227154815 YQSKSJTXFOIYLG-KRWDZBQOSA-N 382.435 4.803 0 50 GJAA c1ccc2sc([C@H]3CCCN(Cc4cc(-c5ccncc5)no4)C3)nc2c1 252479781 BMVAVMFIFSILOH-INIZCTEOSA-N 376.485 4.726 0 50 GJAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(F)(c2ccccn2)CC1 328591626 BHPTTWXKZAMDBS-UHFFFAOYSA-N 375.447 4.553 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4cccc(F)c4)=NN3C(C)=O)c(Cl)nc12 328598317 LEYBZMUUWUXHQL-SFHVURJKSA-N 397.837 4.734 0 50 GJAA O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccncc1)C[C@@H]1CCCO1 426504000 NIZCWWQKUXUJRW-NRFANRHFSA-N 378.497 4.632 0 50 GJAA Cc1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1OCC(F)F)CCO2 497527988 ZMSOSBMOWQLOOF-UHFFFAOYSA-N 396.821 4.719 0 50 GJAA O=C(NCCC[C@@H]1CC1(Cl)Cl)Nc1ccc(Oc2cccnc2)cc1 844663303 FSGBAYBYLVPOSV-CYBMUJFWSA-N 380.275 4.969 0 50 GJAA CSc1cccc(NC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c1 1506417915 UHGPGFSOZBKERW-UHFFFAOYSA-N 384.480 4.835 0 50 GJAA CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1CC(=O)O 1772718135 RYIJWVQATDTXJM-MRXNPFEDSA-N 393.483 4.758 0 50 GJAA COc1c(S(=O)(=O)Oc2ccc3ccccc3c2)ccc(Cl)c1Cl 1776004717 YYZKBBRWEHTXCJ-UHFFFAOYSA-N 383.252 4.923 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCC12CCCCC2 1875265040 JFUWKLUPLLGLRV-UHFFFAOYSA-N 396.491 4.684 0 50 GJAA Cc1sc([C@H](C)NC(=O)CC2(C(=O)O)CCC2)nc1-c1ccc(Cl)cc1 1875317420 YTAKQHOGKBKZCK-NSHDSACASA-N 392.908 4.594 0 50 GJAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc2n1 2325822955 YQKUPNDIKKVBRG-UHFFFAOYSA-N 380.875 4.880 0 50 GJAA O=C(COc1ccc2cc(Br)ccc2c1)N1CCc2ccccc21 1140917 OGKGWUALXYIGBI-UHFFFAOYSA-N 382.257 4.570 0 50 GJAA CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccccc1C(=O)OC 1392827 FFIZEFYLPWEFOY-UHFFFAOYSA-N 381.453 4.658 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccccc1OCc1ccccc1)CC(=O)N2 1460052 FUMANVHRUZPSFN-SFHVURJKSA-N 389.451 4.757 0 50 GJAA CC(C)(C)c1ccc(OCc2ccc(C(=O)OCCN3CCCCC3)o2)cc1 2750738 GXYGYQCPWKRCQO-UHFFFAOYSA-N 385.504 4.799 0 50 GJAA O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccccc1Cl 2794305 NPHXOELWCDNXHI-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2916249 BHTWLOLQXIJKDU-SNVBAGLBSA-N 383.662 4.638 0 50 GJAA COc1ccc(/C=C(/C(=O)NCCc2ccc(OC)cc2)c2ccccc2)cc1 4819087 NPKPHADPHJGQDB-HKOYGPOVSA-N 387.479 4.603 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC3(C)C)cc1 4854169 XYGAOCYWCCHIOS-QGZVFWFLSA-N 387.277 4.737 0 50 GJAA COc1cc2c(cc1OC)CN(Cc1ccc(OCc3ccccc3)cc1)CC2 4987827 RPNKNAGECNQMPS-UHFFFAOYSA-N 389.495 4.841 0 50 GJAA Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1C 5050190 QRRMUSUJBZJOBD-UHFFFAOYSA-N 376.456 4.652 0 50 GJAA N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)S1 6097419 GMONOIDTAJJISS-VIZOYTHASA-N 379.268 4.711 0 50 GJAA CCCCc1nc2cc(C(=O)N3CCC(Oc4ccccc4F)CC3)ccc2o1 11951329 VDYHGQFXYJVZPU-UHFFFAOYSA-N 396.462 4.993 0 50 GJAA Cc1cccc(NC(=O)CCC2CCN(Cc3nc4ccccc4n3C)CC2)c1 12306133 HLYMFQIYGWKXPI-UHFFFAOYSA-N 390.531 4.513 0 50 GJAA COc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c1 12439165 UAKXGQCNHNNXFY-OAQYLSRUSA-N 375.516 4.993 0 50 GJAA O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccncc1 14959939 YMEKWKHDKMLMJB-MRXNPFEDSA-N 398.384 4.501 0 50 GJAA O=C(CCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19867903 GWLXFMGMUXNVRN-UHFFFAOYSA-N 398.550 4.943 0 50 GJAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c(OC)c1 20997783 SNXKTSPCUUGNME-FQEVSTJZSA-N 391.515 4.782 0 50 GJAA CCCCOc1ccc(-c2cc(=O)oc(-c3ccc(OCC)cc3O)n2)cc1 22241914 AAKMRMMQMJQYFE-UHFFFAOYSA-N 381.428 4.652 0 50 GJAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1cccc(NCc2ccccn2)c1C 65430026 PUCAOQLOGTZALF-KRWDZBQOSA-N 389.503 4.730 0 50 GJAA COc1ccnc(CN2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c1 67758688 AEWUZKOQNKHHBX-UHFFFAOYSA-N 396.494 4.706 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1Oc1ccncc1 115372443 FACKFPUQJZHZBX-FQEVSTJZSA-N 390.487 4.510 0 50 GJAA COC(=O)c1nc(NC(=O)[C@@H](CC(C)C)n2cccc2)sc1-c1ccccc1 253399713 DFTQCWQGJDDFRK-MRXNPFEDSA-N 397.500 4.624 0 50 GJAA CC(=O)O[C@@H]1C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 1848443761 YSKYSQZEVNUXOX-ZORPKWTQSA-N 386.532 4.957 0 50 GJAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(Cl)c1Cl 1875252209 CUUUDQNYRXITQR-UHFFFAOYSA-N 375.255 4.929 0 50 GJAA Cc1cccnc1OC1CCN(C(=O)c2ccc(-c3ccsc3)cc2)CC1 2325875766 BOMJIWRDYHAUQC-UHFFFAOYSA-N 378.497 4.802 0 50 GJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Br)o1 629935 KDWNWLWLJVKWDS-UHFFFAOYSA-N 382.217 4.609 0 50 GJAA CCc1c(C)sc(NC(=O)COc2ccc(C)cc2)c1C(=O)OC(C)C 685915 ULWGWYQSZTZDMY-UHFFFAOYSA-N 375.490 4.510 0 50 GJAA O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)n1nnc2ccccc21 1114617 AIRRVEYDIVSSPX-UHFFFAOYSA-N 384.826 4.988 0 50 GJAA CCOc1ccc([C@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1210866 CFDUBUMRFQMJLL-HSZRJFAPSA-N 391.467 4.622 0 50 GJAA Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccco3)ccc2o1 2955129 HMTSDOAOPIRTEQ-UHFFFAOYSA-N 377.425 4.523 0 50 GJAA N=c1sc(Cc2cc(Cl)ccc2Cl)cn1CC(=O)c1ccccc1 5091551 QJKJEPQVGVZAMX-UHFFFAOYSA-N 377.296 4.810 0 50 GJAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 7720748 OIFHIROZFSXYBP-UHFFFAOYSA-N 383.451 4.605 0 50 GJAA CC(=O)c1ccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CC(C)C)O3)s1 12005065 ACHXDORAQPOUFZ-HNNXBMFYSA-N 391.920 4.737 0 50 GJAA CCc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cn1 14953218 CIARKAXWHQBTHJ-RUZDIDTESA-N 392.591 4.651 0 50 GJAA O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCCC[C@@H]1c1ccccc1 20606118 VXMNDSYXHXUJIH-OAQYLSRUSA-N 395.890 4.940 0 50 GJAA c1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 20782629 KNMLHECTCQQMJC-HXUWFJFHSA-N 383.499 4.642 0 50 GJAA Cc1ccc(C(=O)Nc2cc(NC(=O)[C@@H]3CCOC(C)(C)C3)ccc2C)cc1 55270627 UDXLFUQHSXFRBM-GOSISDBHSA-N 380.488 4.699 0 50 GJAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccnc(C)c2)cc1 65435316 AAMTXXSABPJZQI-UHFFFAOYSA-N 382.467 4.927 0 50 GJAA CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 252516303 RLULKLZQZHUHMW-ODAXIHTASA-N 379.500 4.855 0 50 GJAA CCCN(CC1CC1)C(=O)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1 299782685 NEIZCNQJGDCEDW-UHFFFAOYSA-N 375.472 4.974 0 50 GJAA CC(C)n1c(CNC(=O)c2ccncc2Oc2ccccc2)nc2ccccc21 442715266 AZSCJWQZWFSJRB-UHFFFAOYSA-N 386.455 4.735 0 50 GJAA COc1ccc([C@@H]2CCN(C(=O)c3ccsc3-n3c(C)ccc3C)C2)cc1 499529860 KIZAEOKBUJJKSO-GOSISDBHSA-N 380.513 4.794 0 50 GJAA C[C@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1csc2ccccc12 747544255 ISGPCWULOROUMU-JPQMIFPKSA-N 376.478 4.661 0 50 GJAA Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1c[nH]nc1-c1ccsc1 796368943 YOMYCVBPMFBKFO-UHFFFAOYSA-N 394.544 4.931 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)N(C)C2CCCCC2)cc1Cl 952964551 OAGOYSDRUMFBQP-AWEZNQCLSA-N 379.932 4.526 0 50 GJAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cc3cccc(Cl)c3n2C)cc1 952975644 FWRHBFIZNONCBB-CYBMUJFWSA-N 381.863 4.599 0 50 GJAA CC1=CC2(CCN(C(=O)c3ccc(CSc4ccccn4)cc3)CC2)OCC1 1704315771 VYZVOTNPPCJHHA-UHFFFAOYSA-N 394.540 4.715 0 50 GJAA CCc1ccc(-c2n[nH]c(SCc3oc(=O)oc3-c3ccccc3)n2)cc1 1776006093 MFBJQJLDWCKTEY-UHFFFAOYSA-N 379.441 4.540 0 50 GJAA CC[C@H](C)CCC(=O)N1CCC2(CC1)CCN(c1nc3cc(F)ccc3o1)C2 1875333766 KPKJAPZHMCVPSY-INIZCTEOSA-N 387.499 4.612 0 50 GJAA Cn1cncc1[C@@H]1CCCN(Cc2cccc3c(Br)cccc23)C1 2325745566 FZGOOIVMMBYNDM-MRXNPFEDSA-N 384.321 4.715 0 50 GJAA CN(CC(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 2332239370 LICHQRAAHAXKSZ-JBRSBNLGSA-N 388.486 4.519 0 50 GJAA Cc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c(C)c1C 655549 NPESYAPJIHBZLW-UHFFFAOYSA-N 375.291 4.797 0 50 GJAA O=C(N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825892 JVMFFBBKEIOLTK-HNNXBMFYSA-N 388.678 4.826 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CCCCC3)c1 1024972 VLFHOUKMHPGODW-UHFFFAOYSA-N 382.529 4.814 0 50 GJAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12 1071556 OZCPXZZOCCLTPI-UHFFFAOYSA-N 385.345 4.745 0 50 GJAA O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cc2ccccc2o1 1098753 JSBYBQQJBODFAV-UHFFFAOYSA-N 387.464 4.545 0 50 GJAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1cccc(F)c1 1192270 GHPNJCZJTYWIBV-MOSHPQCFSA-N 391.373 4.888 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccn(COc2cccc(Cl)c2)n1 2799459 YJXYSVQCIHXVSQ-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1(C)C 4686561 TVEOZJWCZLSVEY-FCHUYYIVSA-N 390.527 4.836 0 50 GJAA c1ccc(-c2nnc(COc3ccc(-c4cnc5ccccc5n4)cc3)o2)cc1 4842549 ONAZGWYTPMEKBH-UHFFFAOYSA-N 380.407 4.926 0 50 GJAA COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cc1OC 11665127 SHAIKGAYXMSDCZ-FQEVSTJZSA-N 382.504 4.544 0 50 GJAA Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncnc(NCc3cccc(F)c3)c12 11839269 YRLHCQHHNIPDJX-CYBMUJFWSA-N 398.507 4.766 0 50 GJAA COc1cc(-c2cccnc2)cc2c1OCCN([C@H]1CCc3ccccc3C1)C2 20451136 ULAVTHLPGUYXSB-QHCPKHFHSA-N 386.495 4.509 0 50 GJAA OCc1ccccc1NCc1csc(-c2cccc(Br)c2)n1 154488442 NEBALFLEJWODCZ-UHFFFAOYSA-N 375.291 4.677 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2C(=O)N2CCCCC[C@H]21 169766159 XPCPYEWLAXNZQM-NRFANRHFSA-N 395.478 4.569 0 50 GJAA COC(=O)c1c(Cl)ccc2cnn(Cc3csc(-c4cccs4)n3)c12 225825937 HSDMZDLUKGIAKK-UHFFFAOYSA-N 389.889 4.710 0 50 GJAA O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 329178884 NGALAWZHDJGWES-BWKNWUBXSA-N 386.495 4.669 0 50 GJAA CCN(CC1CCOCC1)C(=O)c1cccc(-c2cc(C(C)=O)ccc2F)c1 426415650 RPAUHVXEQGWNQV-UHFFFAOYSA-N 383.463 4.584 0 50 GJAA O=C(NCc1nncn1C1CCCCC1)c1ccccc1-c1ccc(F)cc1 826596016 GEGVBCZKPWVLAF-UHFFFAOYSA-N 378.451 4.519 0 50 GJAA Cc1ccnc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)c1 2325876351 SBMIZCSXSCMAJM-UHFFFAOYSA-N 378.497 4.802 0 50 GJAA Cn1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1NC(=O)c1ccccc1 822582 YDRQWJCYOFLFKY-UHFFFAOYSA-N 396.450 4.592 0 50 GJAA COc1ccccc1N1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 848846 GTGYKNGCFXGXCG-UHFFFAOYSA-N 386.451 4.639 0 50 GJAA Brc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 1195060 VYCFOVWEBMKFIY-UHFFFAOYSA-N 380.039 4.929 0 50 GJAA NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCCCC2 2757048 VLFSPDXRMYJNHS-UHFFFAOYSA-N 377.897 4.803 0 50 GJAA CN(C)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 3100265 PZMOJOUEFASOBL-UHFFFAOYSA-N 376.909 4.625 0 50 GJAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN([C@@H](C)CC2(C)CC2)CC1 12572508 WWPPVGZZKLWLHY-SFHVURJKSA-N 380.536 4.659 0 50 GJAA COc1ccc(NC(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)c(C)c1 12716464 GUURZQMMAYOUIP-MRXNPFEDSA-N 378.476 4.689 0 50 GJAA CN(CC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 14993448 QRHMEDOEJCUJPC-ZFDSFTMVSA-N 398.566 4.855 0 50 GJAA O=C(Nc1ccccc1)Nc1nnc(-c2cccc(Br)c2)s1 17056527 OGJFAWASYCAANH-UHFFFAOYSA-N 375.251 4.612 0 50 GJAA Cc1ccsc1-c1nc(CN(C)Cc2cc(-c3cccnc3)no2)c(C)o1 71712172 HHRHSLBHDBTGBJ-UHFFFAOYSA-N 380.473 4.702 0 50 GJAA O=C(CCC1CCN(Cc2cscn2)CC1)Nc1ccc(F)c(Cl)c1 95519265 UFOSUFGUHZRRIG-UHFFFAOYSA-N 381.904 4.567 0 50 GJAA CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cccc(OC)c2nc1Cl 170612695 AEEZDIWKMDZAAN-SFHVURJKSA-N 393.874 4.985 0 50 GJAA CCCc1ccc(N2C[C@@H](c3nc(-c4cccc5cnccc45)no3)CC2=O)cc1 761970290 NOUVNBZQWFVLME-SFHVURJKSA-N 398.466 4.758 0 50 GJAA Cc1ccc(-c2noc(C3CCN(CC(F)F)CC3)n2)c(OC2CCCC2)c1 809426967 ACGRHWBMZHASNI-UHFFFAOYSA-N 391.462 4.811 0 50 GJAA O=C(NCc1cnc(O)c2ccccc12)N1CCCC[C@H]1c1ccc(F)cc1 924811374 WAYSLTOIDCSITM-FQEVSTJZSA-N 379.435 4.516 0 50 GJAA CC(=O)c1ccc(OC[C@H](O)COc2ccc(Oc3ccccc3)cc2)cc1 1875325009 FZOQGEGRXNLJCC-IBGZPJMESA-N 378.424 4.500 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@H](c1ccc(Br)cc1)C1CC1 2325841692 DHLSQZHBIYGJFR-IERDGZPVSA-N 388.349 4.649 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@H](C)C2 948405 ZBAMFCQKMLMPSD-CRALRDPISA-N 375.515 4.763 0 50 GJAA COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccs1 1065350 BJQROTPEGXBWDC-UHFFFAOYSA-N 377.421 4.782 0 50 GJAA CC(=O)Nc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1107676 PISMSOREKRNSJB-UHFFFAOYSA-N 397.434 4.717 0 50 GJAA Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nn12 1115719 HNVHNYQNRQGDFB-UHFFFAOYSA-N 377.473 4.537 0 50 GJAA O=C(Nc1ccc(CSc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 1150064 VXDOVWIMYXZJDL-NRFANRHFSA-N 377.465 4.757 0 50 GJAA Cc1cc(OCc2nc(-c3ccc(Br)o3)no2)cc(C)c1Cl 1440799 IEFFGHUUMJKZEH-UHFFFAOYSA-N 383.629 4.941 0 50 GJAA CCn1c(COc2cccc3cccnc23)nnc1SCc1ccccc1 2696525 LUMAGIMEGKKMFU-UHFFFAOYSA-N 376.485 4.718 0 50 GJAA COc1ccc(OC)c(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 2874651 QSPBFFYAMKWNTF-UHFFFAOYSA-N 376.416 4.596 0 50 GJAA CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccc(Cl)cc1 3049308 OJOZSOCVBXRQMF-UHFFFAOYSA-N 385.876 4.828 0 50 GJAA CCC(CC)C(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@@H]1CCCO1 11814719 HAOMHCDFKIHPJR-NRFANRHFSA-N 397.563 4.553 0 50 GJAA CCn1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)cn1 11934364 VDUPRNRAUDWRRX-JOCHJYFZSA-N 376.504 4.704 0 50 GJAA CC1=C[C@H](C)[C@@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@H](C)C1 12384968 GMXNCELBMADRND-NJNPRVFISA-N 390.593 4.831 0 50 GJAA O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 19791791 NQJZZWNVXJITGS-GUSDSWBTSA-N 398.871 4.571 0 50 GJAA CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H](O)c1ccccc1 20536093 CTMZIJYDQLYSAO-DEOSSOPVSA-N 383.495 4.909 0 50 GJAA CC(C)(C)n1cc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cn1 63871003 BAXGBTBGVYLNRZ-UHFFFAOYSA-N 376.504 4.870 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3CCN(C)CC3)cc(Cl)cc12 71747664 LQHQQTQKIGBBJQ-UHFFFAOYSA-N 395.934 4.755 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)c5ccccc5n4)C3)C2=O)c1 72407102 ZMRXLSSYVANMKO-SANMLTNESA-N 399.538 4.871 0 50 GJAA COC(=O)c1cc(NCc2cnc(C(C)(C)C)s2)ccc1Br 170593292 MZABEURLECSMOL-UHFFFAOYSA-N 383.311 4.602 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1O 239296989 DOACPULUEQQBJN-NVXDSCFRSA-N 395.458 4.635 0 50 GJAA Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 240444247 FWWAAVPLFRUJKP-ZIFCJYIRSA-N 380.488 4.929 0 50 GJAA Cc1ncc(C(=O)N(C)CCCOc2ccccc2Cl)c(-c2ccccc2)n1 952989676 UFVBDYGYRNDABR-UHFFFAOYSA-N 395.890 4.647 0 50 GJAA COc1ccc(-c2ccc(-c3nccn3[C@@H]3CCOC4(CCOCC4)C3)o2)cc1 1857728771 COWIFALEGAEUFN-GOSISDBHSA-N 394.471 4.719 0 50 GJAA C[C@@H]1CN(C2CC2)CCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 2100537064 HIBFVEBKNQHKLB-MRXNPFEDSA-N 388.914 4.727 0 50 GJAA Fc1cc([C@@H]2CCCN2c2cccc(-n3ccnc3)n2)ccc1Br 2325743364 BVPJUJYPYQBRKT-INIZCTEOSA-N 387.256 4.510 0 50 GJAA O=C(Cc1csc2nccn12)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820344 PKRKWMNATVNXPZ-UHFFFAOYSA-N 394.327 4.527 0 50 GJAA Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 1114992 WMKHFSUZWHEKSL-GJZGRUSLSA-N 394.693 4.967 0 50 GJAA CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 1251081 FUUGGGUJSSIKDP-UHFFFAOYSA-N 398.488 4.722 0 50 GJAA O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 2556734 JBZXLQHJZHITMW-UZQPLGKSSA-N 391.467 4.653 0 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50 GJAA Cc1cc(Oc2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)n[nH]1 162555668 WDEHXUQJCLCKBB-UHFFFAOYSA-N 387.443 4.565 0 50 GJAA Cc1noc(C)c1[C@H](C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 170626607 DNNAXRUEYFWVMZ-VIFPVBQESA-N 395.406 4.925 0 50 GJAA C[C@H]1CCCCN1CCC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194270746 IQUSAVZMSWMJTA-INIZCTEOSA-N 386.565 4.805 0 50 GJAA Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 252020882 YHMKCBDMHLARDL-PCCBWWKXSA-N 396.531 4.888 0 50 GJAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2ccc(OCc3ccco3)cc2)no1 299756080 CNBBPXJJLZHPDX-FQEVSTJZSA-N 381.432 4.914 0 50 GJAA C[C@H](O)c1nc2cc(-c3cccc(C(=O)NC4CCCCCC4)c3)ccc2[nH]1 299764399 SKOQZWIDHXQMIM-HNNXBMFYSA-N 377.488 4.736 0 50 GJAA Cc1ccccc1-n1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1 2325822809 QAADLHRWXKFURS-UHFFFAOYSA-N 395.890 4.518 0 50 GJAA O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(F)cc1 937473 LWJILQZVZPLDFZ-UHFFFAOYSA-N 398.488 4.718 0 50 GJAA Cc1sc2ncnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2c1C 952971 DSMOYBLDALHOQJ-UHFFFAOYSA-N 381.885 4.831 0 50 GJAA O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1Br 1076872 NTGHZWULYFLKOC-UHFFFAOYSA-N 379.685 4.955 0 50 GJAA O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1 1136966 LCHQRBQSWUTIAP-UHFFFAOYSA-N 379.843 4.532 0 50 GJAA CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 1199840 ARTJMAQUNHBVCS-UHFFFAOYSA-N 394.302 4.746 0 50 GJAA O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 4740918 AAYTXOPXLXAKHP-UHFFFAOYSA-N 386.282 4.504 0 50 GJAA Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N3CCCCCC3)c2c1 5048402 OUNOUDKDBHTYFM-UHFFFAOYSA-N 388.467 4.955 0 50 GJAA CCCCc1nc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c[nH]1 11935156 FYGLDLMVLJEJLX-MRXNPFEDSA-N 393.453 4.866 0 50 GJAA CCc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 12090785 POUWBKGQDDTEDM-QGZVFWFLSA-N 395.528 4.816 0 50 GJAA Cc1ccccc1CCN1CCC(CN(C[C@H]2CCOC2)C2CCCC2)CC1 12202960 YKJSUMWQHATYCQ-HSZRJFAPSA-N 384.608 4.531 0 50 GJAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@](CO)(CCc2ccccc2)C1 67842477 KASZFPUEWOTKSP-VWLOTQADSA-N 388.511 4.529 0 50 GJAA C[C@](N)(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 140200164 RBYOBJVKEXOCNP-QFIPXVFZSA-N 377.509 4.514 0 50 GJAA CCOc1ccc([C@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 263617367 NJYACACQAFUTDA-HXUWFJFHSA-N 394.475 4.651 0 50 GJAA C[C@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1cccc(O)c1 297441294 ZVIKRUCRIGPZCC-NSHDSACASA-N 399.438 4.518 0 50 GJAA O=C(Nc1nc(-c2ccccc2)no1)N[C@H](c1ccc(F)cc1)C1CCCC1 1476371921 XGHNZNSMHFATPW-SFHVURJKSA-N 380.423 4.929 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@H](C)[C@H]5[C@@]4(C)CC[C@H]32)C1 1857526138 OWDSQNAIMXYQHD-LKNWUTNBSA-N 386.532 4.669 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@H]2CCCCC[C@H]21 1875264177 OMLFJXBRYBRFJS-RHSMWYFYSA-N 396.491 4.540 0 50 GJAA CN(C)c1ccc(C2(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)CC2)cc1 1875333797 LYNLVQZSUZTDGN-OAQYLSRUSA-N 390.527 4.737 0 50 GJAA Clc1ccc(-c2conc2CN2CCCN(Cc3ccccc3)CC2)cc1 1875344121 FDUOUBFYYHLEOP-UHFFFAOYSA-N 381.907 4.703 0 50 GJAA O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(Br)cc2)cs1 1060146 PYBICAPEHXYWCH-BQYQJAHWSA-N 375.247 4.818 0 50 GJAA Cc1ccc(F)c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c1 2796538 JCSHXBNDWQMZMI-UHFFFAOYSA-N 394.233 4.926 0 50 GJAA CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 4127474 COLOXOVVOKQLDC-FTBPSBKWSA-N 384.431 4.629 0 50 GJAA COc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]nc2C2CCCCC2)C1 11935519 NYYRUXGHQBHJJI-GOSISDBHSA-N 381.520 4.561 0 50 GJAA Cc1nonc1[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 15962198 USZJGQIGUVISAW-OAQYLSRUSA-N 385.471 4.772 0 50 GJAA Cc1nn(C)c(Cl)c1CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 19745477 QUVQMBANTBUZLB-FQEVSTJZSA-N 385.870 4.657 0 50 GJAA Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)o1 23479113 LJZQYTIMTXFTFI-LJQANCHMSA-N 386.455 4.755 0 50 GJAA COc1ccc(NC(=O)N(Cc2ccc(OC)cc2OC)C2CCCC2)cc1 59275945 FSBCJWYNRGFPBB-UHFFFAOYSA-N 384.476 4.689 0 50 GJAA O=C(c1cccc2cccnc12)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67789672 KEVPUJAOYMRJTP-LJQANCHMSA-N 382.467 4.645 0 50 GJAA Cc1nc(COc2cccc(/C=C/C(=O)OCCCc3ccncc3)c2)cs1 119765970 FCJFFTRLPMJBGZ-BQYQJAHWSA-N 394.496 4.615 0 50 GJAA Cc1nccn1-c1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 122814463 CUGLFNKRNNKPLL-UHFFFAOYSA-N 394.381 4.583 0 50 GJAA Cc1nc(C(C)(C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)sc1C 170633596 PEVLDYIEPHZAEY-UHFFFAOYSA-N 397.422 4.805 0 50 GJAA CCNC(=O)N(C)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225432062 MMYZBLYWQHDUNH-QGZVFWFLSA-N 397.519 4.690 0 50 GJAA O=C(NC1CCC(O)(c2ccccc2)CC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 801691631 XLQRHQNUTYKYBI-FDYSRKEFSA-N 395.396 4.663 0 50 GJAA CC[C@H]1CN(Cc2ccccc2OCc2c(F)cccc2Cl)CCN1C 822730977 ZMFZHVYEWXKYPS-KRWDZBQOSA-N 376.903 4.584 0 50 GJAA COc1ccc(NC2(C(=O)N[C@@H](c3ccccc3)c3ccco3)CCCC2)cc1 824678533 DSYBCYSOLPKKGJ-QFIPXVFZSA-N 390.483 4.919 0 50 GJAA CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)s1 1529112549 MXZHVYQXQJIHQF-WZONZLPQSA-N 380.557 4.530 0 50 GJAA Cc1cc(NCc2ccccc2CN2CCCC2=O)nc2cc3c(cc12)CCC3 1704324685 DCDPDRZJCIMBFH-UHFFFAOYSA-N 385.511 4.766 0 50 GJAA CCO[C@H](C)c1nc(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cs1 1875258848 JXMGEZDMBNAZCO-HUUCEWRRSA-N 397.500 4.919 0 50 GJAA Cc1ccc2[nH]c(C(=O)N[C@H](C(=O)O)c3ccc(C(C)(C)C)cc3)c(Cl)c2c1 2325851867 LNTGYUIWJRUPKD-SFHVURJKSA-N 398.890 4.983 0 50 GJAA Cc1ccc(C(=O)N[C@@H](Nc2ccccc2Cl)C(=O)c2ccccc2)cc1 622981 VROMYFMJSQIRBJ-OAQYLSRUSA-N 378.859 4.699 0 50 GJAA Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccs1 667084 PBMKMVPAETYVGL-UHFFFAOYSA-N 389.893 4.539 0 50 GJAA c1ccc2c(OCc3nc4c5c6c(sc5ncn4n3)CCCC6)cccc2c1 846173 PUMBXBBQMGZHOX-UHFFFAOYSA-N 386.480 4.950 0 50 GJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 944765 WAWMHQPHUKEMFT-RIYZIHGNSA-N 380.488 4.736 0 50 GJAA CCOC(=O)c1cc(NC(=O)CCCc2ccc(OC)c(C)c2)ccc1Cl 1111538 FTFYNUQUGNTOED-UHFFFAOYSA-N 389.879 4.795 0 50 GJAA Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 1181182 UXKFSNJNTUAWPD-UHFFFAOYSA-N 376.481 4.803 0 50 GJAA Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)c1 1185948 WKXUEDUVWBSTJZ-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA O=C1C[C@H](c2ccc(F)cc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4834239 MBQYMJRQTQOUFH-KLXDDXCJSA-N 383.492 4.762 0 50 GJAA O=C(CC[C@@H]1CCCN(C2Cc3ccccc3C2)C1)NCc1ccccc1Cl 11716369 CQXNNEQYAVAUGX-SFHVURJKSA-N 396.962 4.616 0 50 GJAA CC[C@@H](COC)NCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 12074337 BHOKNCARANAYFG-SFHVURJKSA-N 385.458 4.641 0 50 GJAA CCCO[C@@H]1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 12474389 VYTOPIACOYSXJC-LJQANCHMSA-N 394.471 4.535 0 50 GJAA COCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)s1 14956352 PYQSIVFRZAZMRX-LJQANCHMSA-N 393.508 4.783 0 50 GJAA Cc1cc(C)c2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)(C)C)c3)nc2c1 63885090 TUYFAPWAZGTUDT-UHFFFAOYSA-N 378.520 4.951 0 50 GJAA CCc1ccc(-c2csc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 101705148 TWJGMHCAJOYFQT-XAMWDVODSA-N 392.524 4.854 0 50 GJAA O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)N1C[C@H]2CCC[C@@H](C2)C1 329326293 UAXAVKZBGQHOPZ-HOTGVXAUSA-N 393.512 4.631 0 50 GJAA CCCCN(C(=O)c1cccc([C@@H]2CCCN(C)C2)c1)[C@@H]1CCCC[C@H]1OC 1875322504 VJNQCOUIQOPWPB-DNVJHFABSA-N 386.580 4.696 0 50 GJAA CC(C)N1CCCC[C@@H]1Cn1c(=O)n([C@H](C)c2ccccc2)c2ccccc21 1875357496 JPVGFPMLFXGREW-TZIWHRDSSA-N 377.532 4.675 0 50 GJAA COc1ccccc1C[C@H](C)N(C)c1nc2ccc(Br)cc2o1 1875362699 PLBGWMULTLSPIA-LBPRGKRZSA-N 375.266 4.666 0 50 GJAA Cc1nc(COC(C)(C)C)oc1C(=O)OCc1ccc(Oc2cccnc2)cc1 2325755327 UTPRSFLHOWTFTN-UHFFFAOYSA-N 396.443 4.842 0 50 GJAA C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1Cl 2325755425 RUPFQPPXNNUTLE-AWEZNQCLSA-N 382.895 4.843 0 50 GJAA Cc1c(C(=O)O[C@@H](C(=O)NC(C)C)c2ccccc2)sc2ccc(F)cc12 2325874617 ULJLLAHUPZMLFC-GOSISDBHSA-N 385.460 4.772 0 50 GJAA COc1cc(SC)ccc1C(=O)Nc1cccc(CCc2ccccn2)c1 709340 BPWDEUDZHJZAPT-UHFFFAOYSA-N 378.497 4.850 0 50 GJAA O=C1O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 1422995 COONSQWVSRRGCK-GGAORHGYSA-N 393.870 4.921 0 50 GJAA CCCCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 4754648 WGAIDOUUYMLPFO-UHFFFAOYSA-N 381.497 4.918 0 50 GJAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)cc1C 11663765 CDHBQMIJAHBXMQ-DEOSSOPVSA-N 386.499 4.664 0 50 GJAA Cc1cccc(CC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)c1 11938166 KTDWPLYZORZLDO-RUZDIDTESA-N 381.479 4.588 0 50 GJAA CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccn1-c1ncccn1 19218280 MLIQCXMJVTXPAW-JOCHJYFZSA-N 385.515 4.894 0 50 GJAA CCCNC(=O)c1ccc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1 20363911 YTVDILDTAFBRJB-SFHVURJKSA-N 395.528 4.880 0 50 GJAA COc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 55042624 WLAAZOPSJLAXMY-UHFFFAOYSA-N 397.906 4.634 0 50 GJAA Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@H](C)c2cccc(O)c2)CC1 112459609 KQIAVVVTKYJBET-OAHLLOKOSA-N 375.472 4.742 0 50 GJAA Clc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccccc2)OC3)n1 263619470 YUHXFSJEMDTZSZ-SFHVURJKSA-N 378.819 4.525 0 50 GJAA C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(c2ncco2)CC1 931444965 NHLCCPNBNUPNQH-KRWDZBQOSA-N 375.472 4.868 0 50 GJAA C[C@@H](Cc1ccc(Cl)s1)N=c1[nH]c(-c2ccccn2)nc2ccccc12 2325852767 RXINQGPXTSHMQM-ZDUSSCGKSA-N 380.904 4.872 0 50 GJAA CCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OCC)c1OCC 680139 SJSALCCZOZQUQH-UHFFFAOYSA-N 380.444 4.683 0 50 GJAA Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)o2)cc1 1233931 XVHXKKLMILKCST-UHFFFAOYSA-N 396.512 4.782 0 50 GJAA CCCCOc1ccc(C(=O)Nc2cccc(I)c2)cc1 2881448 WOHURSHBPJCQKF-UHFFFAOYSA-N 395.240 4.722 0 50 GJAA COc1cccc2cc(-c3csc(Nc4ccc(C(C)=O)cc4)n3)c(=O)oc12 2956151 VEEKTJSYSWHYLN-UHFFFAOYSA-N 392.436 4.871 0 50 GJAA O=C(Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1N1CCCCC1 4998961 UCZZQTQSVKPVMU-UHFFFAOYSA-N 377.532 4.848 0 50 GJAA CC[C@@H]1CCCCN1Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O 11790768 PFALLNDDLCGMTA-JOCHJYFZSA-N 375.516 4.518 0 50 GJAA COC(=O)c1c(NC(=S)Nc2ccc(Br)cc2)sc(C)c1C 17081657 FNJGLSWRZYDAOW-UHFFFAOYSA-N 399.335 4.723 0 50 GJAA Cc1c(C(=O)NC(C)C)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 20256818 INHRVFVAASFWOE-MRXNPFEDSA-N 380.517 4.627 0 50 GJAA CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c1C 20604589 NDCFSAOELAFTEA-UHFFFAOYSA-N 399.420 4.999 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCCCC3)c3ccc(C)c(C)c3n2)cn1 63855875 AEMXYADMFCWLOO-UHFFFAOYSA-N 376.504 4.751 0 50 GJAA O=C(Nc1nc2c(s1)COCC2)c1cc(-c2cccs2)nc2ccccc12 171021259 VOWADNPUOKIDAN-UHFFFAOYSA-N 393.493 4.745 0 50 GJAA Cc1c([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cnn1C 171998890 QGUUOGYCQWADMG-ZDUSSCGKSA-N 387.405 4.905 0 50 GJAA COc1ccc2nc(NC(=O)c3ccc([C@@H](N)c4ccccc4)cc3)sc2c1 230509633 BHOBUXPHKZSABC-FQEVSTJZSA-N 389.480 4.605 0 50 GJAA in-vitro Cc1cc2n(n1)CCCN(C(=O)Nc1ccc(SCc3ccco3)cc1)C2 299789852 BCJJMLLSUMFDLX-UHFFFAOYSA-N 382.489 4.515 0 50 GJAA FC(F)(F)c1cccc([C@@H](NC2CCN(Cc3ccncc3)CC2)C2CC2)c1 952845086 YCGYXJBJONOJII-NRFANRHFSA-N 389.465 4.806 0 50 GJAA Cc1ccccc1SC1CCN(C(=O)c2cc(C)c3nc(N)sc3c2)CC1 1506431501 MWJKCRFYHBKOPS-UHFFFAOYSA-N 397.569 4.892 0 50 GJAA Cc1cccc([C@@H](C)NC[C@H](CO)Cc2ccccc2Br)c1C 2325841972 LDWPRJIEHNKYRB-IAGOWNOFSA-N 376.338 4.568 0 50 GJAA CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 687809 HKNLXCAUGJJVAZ-UHFFFAOYSA-N 394.496 4.611 0 50 GJAA O=C(CCSc1nc2ccccc2o1)Nc1ccccc1Br 1175114 BZYWEINXXHJYOQ-UHFFFAOYSA-N 377.263 4.711 0 50 GJAA CSCC[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2547864 MKMMLNFAHQVAQN-OAHLLOKOSA-N 399.512 4.512 0 50 GJAA Cc1ccccc1-c1cccc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)c1 11712192 GBJKUOQXEBKSJG-QFIPXVFZSA-N 399.538 4.699 0 50 GJAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2C)C1 11814709 KXAMICYJTCLYJB-DEOSSOPVSA-N 394.515 4.723 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(C3CCCC3)C2)cc1 11818042 JLLWGHVCQZGMTN-IBGZPJMESA-N 378.516 4.955 0 50 GJAA FC(F)(F)c1cccc(Cc2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)c1 12076074 FZJJHIDVOMRPBU-HOTGVXAUSA-N 379.426 4.691 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3cc(C)[nH]n3)c(-c3ccc(F)cc3)n2)cc1 12316606 WXTUAQJNHYPGHU-UHFFFAOYSA-N 389.478 4.650 0 50 GJAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)ccc21 12324977 LVNUOGRFIBXQTC-UHFFFAOYSA-N 389.480 4.706 0 50 GJAA O=C(c1cccnc1)N(Cc1cccc(OCc2ccccc2F)c1)C1CC1 20535237 WPACXWXFBKZWTQ-UHFFFAOYSA-N 376.431 4.605 0 50 GJAA O=C(COc1ccc2c(-c3ccc(F)cc3)noc2c1)OCc1ccccc1 32089878 NNBXQYAMUYHEMF-UHFFFAOYSA-N 377.371 4.756 0 50 GJAA Cc1nc(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)c(C)o1 71614821 ALGNTFCZRLGFLH-INIZCTEOSA-N 380.410 4.795 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@H]3CCCN(C)C3)cc(Cl)cc12 71712100 LEWRXTVAADVVGB-KRWDZBQOSA-N 395.934 4.755 0 50 GJAA CC1(C)CN(C(=O)Nc2ccc(Oc3ncccn3)cc2)CC[C@H]1C(F)(F)F 242292572 YNIRFHKNYHFZNH-OAHLLOKOSA-N 394.397 4.711 0 50 GJAA CO[C@@H](C)c1cccc(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1 432069767 QKKKQZRCMBGTNP-INIZCTEOSA-N 392.503 4.921 0 50 GJAA Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 737665469 KMDUQOYMLJDUDQ-HNNXBMFYSA-N 385.467 4.868 0 50 GJAA C[C@H](NC[C@@H](O)c1cccc2ccccc12)c1ccc(NC(=O)NC2CC2)cc1 850517520 VYCSQNDZBKCDIT-QMHKHESXSA-N 389.499 4.508 0 50 GJAA Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2)oc1C 1875253103 FBFWOYSYGHLGSZ-HXUWFJFHSA-N 376.460 4.677 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@H](c1ccc(Br)cc1)C1CC1 2325841694 DHLSQZHBIYGJFR-KKSFZXQISA-N 388.349 4.649 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC[C@H]2C)cc1 644175 UOEPXTBCYDKLIR-CQSZACIVSA-N 386.879 4.616 0 50 GJAA O=C(NCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 1179396 DGCGKTWSXPPELA-UHFFFAOYSA-N 395.305 4.661 0 50 GJAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCCC3)n2)cc1OC 1188479 YMQNMOBTRHEVFD-UHFFFAOYSA-N 375.472 4.736 0 50 GJAA CCOc1ccc([C@H](NC(=O)c2ccccc2OC)c2ccc(OC)cc2)cc1 1211454 QMCHWRKKSOPMIA-HSZRJFAPSA-N 391.467 4.622 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881874 PSGAAPLEWMOORI-YJOBIULKSA-N 386.532 4.655 0 50 GJAA biogenic CC1=C(C(=O)OC2CCCCCC2)[C@H](c2c(F)cccc2Cl)CC(=O)N1 4916876 IMWCINLLQPFMFA-CQSZACIVSA-N 379.859 4.623 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N(CC)Cc4ccncc4)csc3n2)cc1 12445214 XLLWCQLLFBZUHT-UHFFFAOYSA-N 390.512 4.683 0 50 GJAA COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 19834331 DZKNTBXSTVCOGQ-SIKLNZKXSA-N 391.858 4.986 0 50 GJAA CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 20604300 XWQCFNQGFKQFLE-UHFFFAOYSA-N 385.393 4.690 0 50 GJAA Cc1nc2c(C(=O)N3CCC[C@H](CCc4c(F)cccc4F)C3)cccc2[nH]1 71613895 VULWYDJXYHKLTF-OAHLLOKOSA-N 383.442 4.635 0 50 GJAA CCN(CCOC)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 72473978 BGBUTEUEYFVVOU-UHFFFAOYSA-N 387.886 4.800 0 50 GJAA Fc1cccc(OCc2noc([C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 225572518 YCCWWDFFBFMJNF-RDTXWAMCSA-N 392.789 4.825 0 50 GJAA O=[S@@](Cc1ccc(Cc2ccccc2)cc1)Cc1cccc(OC(F)F)n1 1875322905 MWTWPQSFCKWLSB-MHZLTWQESA-N 387.451 4.723 0 50 GJAA C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 671269 RINFENOMBNPDPR-AWEZNQCLSA-N 384.273 4.859 0 50 GJAA COc1ccc(C)cc1NC(=O)COc1ccc(C(C)C)cc1Br 1141505 KTALJSKRCZOVCN-UHFFFAOYSA-N 392.293 4.907 0 50 GJAA Cc1cccc(N2CCN(C(=O)c3ccc(OC4CCCC4)cc3)C[C@@H]2C)c1 1457130 WODSZSGHEPJZPJ-IBGZPJMESA-N 378.516 4.667 0 50 GJAA O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1 3656370 UFDZACYACAMOFS-QGZVFWFLSA-N 388.305 4.689 0 50 GJAA O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl 4664836 JXAHMWUFRAGQCP-UHFFFAOYSA-N 383.344 4.567 0 50 GJAA COc1ccc([C@@H]2NC(=O)NC3=Nc4ccccc4NC(c4ccccc4)=C32)cc1 6405686 VEBNNVRVGQHAKT-QFIPXVFZSA-N 396.450 4.616 0 50 GJAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccc3cnccc23)C1 12022477 DIEFFFRLMXQRDC-QHCPKHFHSA-N 380.919 4.705 0 50 GJAA O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CCCCC3)cc2)[nH]1 48488334 LSOQMGMFFVGEQF-UHFFFAOYSA-N 379.891 4.743 0 50 GJAA Cc1ccccc1N1CCCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 55575791 HVTLJJCCPIGPTP-UHFFFAOYSA-N 379.479 4.810 0 50 GJAA CCCCc1nc(-c2c(-c3ccccc3)ncn2CC[C@H]2CCCN2C)c[nH]1 65384319 DLWSGPJMWKYEFH-LJQANCHMSA-N 377.536 4.767 0 50 GJAA O=C(NCCCC[C@@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 96141652 MWHRDPBWCAHDAQ-GOSISDBHSA-N 378.476 4.701 0 50 GJAA COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)c1O 117647753 VUJQSEXTFHGUSD-WYMLVPIESA-N 398.462 4.887 0 50 GJAA COc1ccc(Cl)cc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169775675 FVDHTXVXBMBMLK-UHFFFAOYSA-N 379.807 4.599 0 50 GJAA CC(C)C[C@H](C(=O)Nc1ccccc1OCCN1CCCCC1)n1cccc1 253414687 YFXHDAZLDSEVKQ-OAQYLSRUSA-N 383.536 4.579 0 50 GJAA CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500038 UORSHAGGYHADPG-XFFGQJTASA-N 387.564 4.632 0 50 GJAA biogenic O=C(O)c1ccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1Cl 846246228 NHLQMGHEUYCUBY-LJQANCHMSA-N 394.298 4.637 0 50 GJAA CN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1462776976 MBKTYUAFXOQUPA-HXUWFJFHSA-N 389.879 4.889 0 50 GJAA C[C@H](N[C@H](C)[C@@H]1C[C@@H]1c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 1875258708 YFMDTOVBKROXQV-MXSMSXNCSA-N 388.914 4.608 0 50 GJAA COc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(-c3ccncc3)cc1)CCC2 1875264742 OHZHIMQINHMGBD-QHCPKHFHSA-N 387.483 4.634 0 50 GJAA CC(=O)C12CCC(C(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)(CC1)CC2 1875310291 LPIVULRDMFOZJJ-XTWGIRIWSA-N 385.479 4.618 0 50 GJAA O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1cccc(Cc2ccccc2)c1 1875337086 SPSZRWMPWOFNHQ-UHFFFAOYSA-N 396.490 4.755 0 50 GJAA COc1ccnc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1F 1875342846 JWZKZZJGFOATEA-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 635800 NAWVBLZNAIAHLQ-FGZHOGPDSA-N 398.491 4.861 0 50 GJAA Cc1cccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccccc3)c2=O)c1 752760 JGNDNQVVNPAJMT-UHFFFAOYSA-N 396.425 4.686 0 50 GJAA Cc1nnc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)s1 1083362 FLVVAFRFNBLKHY-UHFFFAOYSA-N 380.860 4.967 0 50 GJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 2879307 BUHCEFHKUMRUQN-MRXNPFEDSA-N 385.423 4.810 0 50 GJAA CN(c1ccccc1)c1ccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 12307917 WCFIEXLQFBUCFA-FQEVSTJZSA-N 391.559 4.725 0 50 GJAA COc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1 20138189 WUCFNSJDWKSVDI-INIZCTEOSA-N 383.442 4.743 0 50 GJAA COc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 42942894 KIPXOPCJRPAGOM-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 54979037 IZWVSGPKTNUZCW-UHFFFAOYSA-N 388.486 4.888 0 50 GJAA CCc1csc(CCn2cnc(-c3ccccc3)c2-c2ccc(CO)o2)n1 65464019 WOTZBAJUUHRDMY-UHFFFAOYSA-N 379.485 4.564 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N(C)[C@H](C)c4ccccn4)csc3n2)cc1 67850064 TXQUBTSOBUDNAY-OAHLLOKOSA-N 390.512 4.853 0 50 GJAA CCOC(CCN[C@H](CCCN1CCC(C)CC1)c1ccc(F)cc1)OCC 239539186 AVSJRISQEGYJLY-JOCHJYFZSA-N 394.575 4.758 0 50 GJAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCC[C@H]1c1cccnc1 952968077 NVDWBGKKLVQTAQ-FQEVSTJZSA-N 375.497 4.746 0 50 GJAA CO[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)c1ccc(F)cc1 1437897325 VZVPNYUVUOAUCW-CQSZACIVSA-N 377.721 4.704 0 50 GJAA O=C([C@@H]1CCCCc2ccccc21)N1CC2(CCOCC2)[C@H]1c1ccccc1 1875265974 VBXMSVRQNCPKTR-DHIUTWEWSA-N 375.512 4.877 0 50 GJAA c1cncc(-c2nc3c(c(N4CCC[C@H](c5cc6ccccc6[nH]5)C4)n2)CCC3)c1 1875339680 TXQQFRLADWDONX-IBGZPJMESA-N 395.510 4.893 0 50 GJAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)c1cccc2ccccc12 2325841866 IGFOLFVNZCTJRV-GOSISDBHSA-N 375.403 4.509 0 50 GJAA CC(C)N1CCC[C@]2(CCCN2C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 2356168759 MKMOYGHNIGQFED-DEOSSOPVSA-N 391.515 4.751 0 50 GJAA CCOC(=O)c1cc(C(=O)Nc2ccccc2F)c2ccc3ccccc3n12 638889 WJMYXRGZKOXDSG-UHFFFAOYSA-N 376.387 4.661 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@H](c2cccnc2)Nc2ccccc2-3)cc1 795588 ANDJTOAKLHGVET-HXUWFJFHSA-N 399.479 4.729 0 50 GJAA CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 819801 FWNQQAHGNAZJHX-UHFFFAOYSA-N 398.462 4.683 0 50 GJAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1Cc1ccccc1Cl 1146076 OMYZSEWCIAOYNJ-BWWMBTDCSA-N 399.877 4.732 0 50 GJAA Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4)nc3C2)cc1 2425407 AQQAWODQALHEEF-MRXNPFEDSA-N 391.858 4.603 0 50 GJAA CC(=O)c1cc(OC(=O)c2ccccc2F)ccc1OC(=O)c1ccccc1F 3130121 GNHGAHWRRGFSNA-UHFFFAOYSA-N 396.345 4.606 0 50 GJAA COc1ccc(-n2nc3ccc(NC(=O)c4oc5ccccc5c4C)cc3n2)cc1 5094597 UJLNJDLCTNSZQF-UHFFFAOYSA-N 398.422 4.736 0 50 GJAA COC(=O)c1sc2cc(NC(=S)N3CCC(C)CC3)ccc2c1Cl 6388454 CMILZVZMIJJTGH-UHFFFAOYSA-N 382.938 4.770 0 50 GJAA Cc1cccnc1C[C@@H](C)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 12307883 PUEDQWBVAOBKGJ-OAHLLOKOSA-N 389.430 4.698 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 12845647 DRJGQJLRFQWEKT-INWMFGNUSA-N 396.413 4.541 0 50 GJAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)N1CCCCC1 15017195 DNNCFMOWYWOBDJ-RBBKRZOGSA-N 382.891 4.592 0 50 GJAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C 15063944 ZTFMIEWPEWFRIZ-NRFANRHFSA-N 392.455 4.580 0 50 GJAA Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 21795395 MKNVGHQRCMMAOT-UHFFFAOYSA-N 376.464 4.547 0 50 GJAA Cc1ccccc1-c1cccc(CN2CCc3nnc(-c4ccccc4)n3CC2)c1 23128493 YFTASVJLGLRPNF-UHFFFAOYSA-N 394.522 4.979 0 50 GJAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc2ncccc12 96141373 DGRVKGLBHKNJMA-UHFFFAOYSA-N 388.515 4.611 0 50 GJAA Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)cc1-c1ncco1 151993348 NMQPEXULMVXQJP-UHFFFAOYSA-N 387.443 4.606 0 50 GJAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1csc(-c2ccccc2)n1 170593177 CPMQMKKQNYXNHE-ICSRJNTNSA-N 378.497 4.708 0 50 GJAA CCCN(C(=O)c1csc(Cl)n1)[C@H](C)c1ccccc1Br 241447070 NQXDDIIQWXWVHB-SNVBAGLBSA-N 387.730 5.172 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)c(OC)c1 245380952 WPKQCEHJZJSIBU-QPPBQGQZSA-N 386.451 4.946 0 50 GJAA Fc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 263617733 PJNIYWHJZLVEEV-SFHVURJKSA-N 396.809 4.664 0 50 GJAA C[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)C12CC3CC(CC(C3)C1)C2 888105524 KRFHJJIMJNHKAF-GWVGAJKQSA-N 386.605 4.822 0 50 GJAA O=C(CC1CCCC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704343275 VQGIKVAGTDRYIW-XMMPIXPASA-N 375.516 4.530 0 50 GJAA CCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1 994794 SCHYNPHXJBTOQB-UHFFFAOYSA-N 390.468 4.713 0 50 GJAA CS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 1140055 PPTOYHNJRVKJGO-UHFFFAOYSA-N 380.494 4.616 0 50 GJAA aggregator CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1 1778018 SSKYQBJFNOZHPY-JLHYYAGUSA-N 399.512 4.854 0 50 GJAA O=C(O)c1ccccc1-c1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)o1 2709850 ZNIZZMLGYNTZGD-UHFFFAOYSA-N 377.327 4.697 0 50 GJAA CCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 2911580 DUOOEYXUFNFIHQ-LJQANCHMSA-N 394.500 4.943 0 50 GJAA Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2cc1C 4487079 ZXQMKUVYRCRUMU-OAHLLOKOSA-N 399.454 4.594 0 50 GJAA COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c(Cl)c3C)n2)c1 4881450 PJZYLLYBVAAQCT-UHFFFAOYSA-N 382.773 4.627 0 50 GJAA CC(=O)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cs1 12594328 WFJRFBNRKLKLNK-LJQANCHMSA-N 393.512 4.561 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)Cc1cccc(C)c1)O2 14995053 RYWFZOCCKBRPBV-JOCHJYFZSA-N 399.490 4.527 0 50 GJAA Cc1ccc(Cl)c(OCc2nnc(SCc3ccccc3F)n2C)c1 17077299 ARURASHQDZHQGF-UHFFFAOYSA-N 377.872 4.787 0 50 GJAA CNC(=O)c1ccc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)o1 72126439 NVCOIOAIBLFEFX-OAHLLOKOSA-N 394.437 4.503 0 50 GJAA COCCc1ccccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 170604635 WHYJVKKRJQNICL-UHFFFAOYSA-N 390.483 4.719 0 50 GJAA CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@H]1C)OCO3 229876656 LPWYMVXRDVBDOS-NAKSJZFLSA-N 395.499 4.786 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 253619472 XNTYYYINMGRBQW-NOVSDGQZSA-N 388.548 4.894 0 50 GJAA Cc1ccc(-c2cc3cc(CN4C(=O)c5ccccc5C4=O)ccc3n2C)cc1 334162973 KUYPAZNIXQBKHU-UHFFFAOYSA-N 380.447 4.950 0 50 GJAA CCO[C@@H](C)c1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875331587 ONDMITWMPUZNDY-BDAKNGLRSA-N 375.650 4.723 0 50 GJAA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(N[C@@H]2C[C@@H]2C(F)(F)F)c1 1875335529 ROXLXWPALVCDCD-LSDHHAIUSA-N 383.801 4.587 0 50 GJAA CCNC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCC2 730327 RPZYLTIFJOMXHO-UHFFFAOYSA-N 382.485 4.684 0 50 GJAA CCOc1cc2c3c(c1)[C@@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@@H]2C 1051270 NFWGQDGMLRQLPK-PSLXWICFSA-N 378.472 4.513 0 50 GJAA COc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1 1120738 NSSDIBBQBBMILA-UHFFFAOYSA-N 388.496 4.939 0 50 GJAA O=C(Nc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1Cl 1146463 RIKOXENSRJNRSP-UHFFFAOYSA-N 379.685 4.955 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc3c4c(cccc24)CC3)NC(=O)N1 1215655 WGUCZGAKGMFCAH-HSZRJFAPSA-N 397.478 4.513 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1 1225926 ZRKUNPONQAFOKU-ZQFKLAOWSA-N 379.459 4.566 0 50 GJAA biogenic O=C(Nc1cccc(Br)c1)[C@]1(c2ccccc2)CC1(Cl)Cl 2187803 LCBFADDLEIBTDB-OAHLLOKOSA-N 385.088 4.903 0 50 GJAA COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 2189045 MNGCYDLCKBXSBD-NRFANRHFSA-N 377.469 4.685 0 50 GJAA aggregator Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(C)o2)cc1 2280184 UHKMONFGYAWZEL-NRFANRHFSA-N 386.444 4.824 0 50 GJAA COc1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)cc1 2345692 WPWHWZDOTGBFIE-UHFFFAOYSA-N 395.640 4.740 0 50 GJAA O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccco1 4724848 BWINNIQKHYHVGB-MYDTUXCISA-N 383.447 4.518 0 50 GJAA CSc1cccc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 11933539 WYUYBYFTXABMSR-OAQYLSRUSA-N 375.965 4.879 0 50 GJAA Cc1ccc2cc(CN(C(=O)c3cccc(F)c3)C3CC3)c(N(C)C)nc2c1 12005333 BAXDHUAHWPKHOJ-UHFFFAOYSA-N 377.463 4.553 0 50 GJAA CCOc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1OC 12464413 SMBYUKVONDNFIQ-GOSISDBHSA-N 399.556 4.911 0 50 GJAA C[S@](=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1F 247246159 YKKCKAYDHVIZDQ-CTRJTCCGSA-N 386.275 4.612 0 50 GJAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@H]1CCC2=O 254479308 DDDJCSCTQYHRFY-BOMIMWLXSA-N 384.438 4.992 0 50 GJAA O=C(Nc1ccccc1Cl)c1ccc(N2CCC(C(F)(F)F)CC2)nc1 263640159 ZQLSHWJYMYLTEM-UHFFFAOYSA-N 383.801 4.766 0 50 GJAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 952971893 ADSKKWLJSOEDTI-MRXNPFEDSA-N 395.528 4.505 0 50 GJAA C[C@H](NC(=O)N1C[C@@H](O)C[C@H]1C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875263347 QVNSDNWHXYQQRG-RTFZILSDSA-N 393.531 4.535 0 50 GJAA Cc1ccc2[nH]c(C(=O)N[C@@H](C(=O)O)c3ccc(C(C)(C)C)cc3)c(Cl)c2c1 2325851866 LNTGYUIWJRUPKD-GOSISDBHSA-N 398.890 4.983 0 50 GJAA COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 935591 BVRXXFGOIMEEPF-MRXNPFEDSA-N 375.424 4.546 0 50 GJAA Cc1cc(C)c2c(n1)sc1c(=O)n(-c3cccc(C(F)(F)F)c3)cnc12 1139588 MVLOQBMYGWXGQK-UHFFFAOYSA-N 375.375 4.631 0 50 GJAA Cc1ccc2nc(NC(=S)NC(=O)c3cccc4ccccc34)sc2c1 1178805 NUEXWFWECRHRKC-UHFFFAOYSA-N 377.494 4.885 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2380994 OGJHYTCWTNBFGC-UHFFFAOYSA-N 390.449 4.965 0 50 GJAA CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C 3255929 RWLYYNLSBWIPNS-UHFFFAOYSA-N 385.467 4.786 0 50 GJAA CCCCOC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 4105392 VIZHYOQUNVSIAV-CQSZACIVSA-N 377.843 4.858 0 50 GJAA Cc1ccsc1-c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 5013343 KPWGODNESVJENK-UHFFFAOYSA-N 381.935 4.959 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@H]2CCOC2)c(C)s1 12050398 OJEVOHRVDYDNQU-KRWDZBQOSA-N 385.508 4.577 0 50 GJAA COc1ccc(CNCC[C@@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 12329881 ZRFJHOZQBLEODJ-FUDKSRODSA-N 396.575 4.548 0 50 GJAA CC1(C)[C@H]2CC[C@]1(C)CN(C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 12436742 DNUFRGCCNUMJNP-OSWQYVSFSA-N 376.544 4.914 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 12745414 SIXUVQIMABKYPZ-GOSISDBHSA-N 392.474 4.728 0 50 GJAA Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NCc3ccco3)c12 14993794 AEOFDASOXTUIHH-UHFFFAOYSA-N 384.505 4.611 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCN(c2ccccc2)CC1 20166488 MQOVPFIKMISBHP-UHFFFAOYSA-N 383.442 4.641 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 23129841 FQPNSEHHOMCZDP-OAHLLOKOSA-N 387.405 4.677 0 50 GJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(CCCSC)CC2)c1 39485889 TWSAHWMJAHYYMS-UHFFFAOYSA-N 398.572 4.766 0 50 GJAA CCOP(=O)(OCC)Oc1ccccc1OP(=O)(OCC)OCC 39598783 DWWZWSQAQGUTSG-UHFFFAOYSA-N 382.286 4.806 0 50 GJAA O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67966936 ATIGJKUHYVMHFE-IIMJZQEZSA-N 395.886 4.646 0 50 GJAA Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)s1 71757015 SKYOONJZGCGQEU-AWEZNQCLSA-N 382.451 4.955 0 50 GJAA O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 165246504 QKGJBEYQVWGCBG-UHFFFAOYSA-N 379.437 4.588 0 50 GJAA CCO[C@H]1C[C@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 170638757 QWOLFGKVXQVPTO-KBPBESRZSA-N 398.450 4.701 0 50 GJAA Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 263617107 MCPQJYLEFRYBOD-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA FC(F)Oc1c(Br)cc(OC(F)(F)F)cc1Br 263624479 QWJHLSRRTFQIFT-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 1775973397 ALKREKVDSIKLQB-UHFFFAOYSA-N 385.872 4.734 0 50 GJAA CCc1ccc2nc(NC(=O)c3cc(-c4ccccc4OC)[nH]n3)sc2c1 1776002311 ABTXBTLUQBYNJH-UHFFFAOYSA-N 378.457 4.510 0 50 GJAA O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898738 XVANJWRQSUFXEQ-UHFFFAOYSA-N 380.451 4.522 0 50 GJAA Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1C 804476 YHORGLRGDXYWQE-MRXNPFEDSA-N 394.418 4.764 0 50 GJAA COc1ccccc1CCNC(=O)c1ccc(COc2ccccc2Cl)cc1 1144330 CEYMPVMTVLKEMY-UHFFFAOYSA-N 395.886 4.900 0 50 GJAA CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)c1 1147396 URJZHGHHDWHMSU-UHFFFAOYSA-N 387.435 4.712 0 50 GJAA O=S(=O)(NCCCCc1ccccc1)c1ccc2oc3ccccc3c2c1 2812324 WAHIXRLYFSCSQK-UHFFFAOYSA-N 379.481 4.887 0 50 GJAA COc1cccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)c1 2854553 CWEAFIVFAILFJQ-UHFFFAOYSA-N 377.375 4.622 0 50 GJAA Cc1cc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)ccc1Cl 2875212 RDJUCCJGPXLQRR-UHFFFAOYSA-N 379.287 4.920 0 50 GJAA Sc1nnc(CCc2ccccc2)n1-c1ccc(Br)cc1Cl 6402870 WTSUKZAWQKECMR-UHFFFAOYSA-N 394.725 4.757 0 50 GJAA CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 12431527 GEBMIJOPRJPSTR-UHFFFAOYSA-N 394.563 4.972 0 50 GJAA Cc1ccccc1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 13569173 CGBIWPDETJFXNF-UHFFFAOYSA-N 389.278 4.920 0 50 GJAA C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)C12CC3CC(CC(C3)C1)C2 17079198 MOLCZNVQCWIFGH-BUBBNXEVSA-N 387.911 4.513 0 50 GJAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN(c2ccc3ccccc3n2)CC1 82136766 DCAQIXRVBBIXOM-UHFFFAOYSA-N 398.462 4.891 0 50 GJAA C[C@H](NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(C)(=O)=O)cc1 164324006 FWWZPZCABHQSMP-INIZCTEOSA-N 399.487 4.872 0 50 GJAA O=C(Nc1ncc(C2CCOCC2)s1)N1CC2(CCC2)[C@H]1c1ccccc1 297328587 MKUNUDZTOCXFNY-GOSISDBHSA-N 383.517 4.796 0 50 GJAA C[C@@H](O)c1nc2cc(-c3cccc(C(=O)NC4CCCCCC4)c3)ccc2[nH]1 299764401 SKOQZWIDHXQMIM-OAHLLOKOSA-N 377.488 4.736 0 50 GJAA O=C1CC[C@@H](C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)n2cccc21 448344133 DTCOYWIWBBDGAD-HNNXBMFYSA-N 389.839 4.620 0 50 GJAA CC(C)N(C(=O)c1ccccc1-c1ccc(OC(C)(C)C(=O)O)cc1)C(C)C 534654297 HOJHXFCJRVJJNI-UHFFFAOYSA-N 383.488 4.855 0 50 GJAA O=C(O)C[C@@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 725240682 VSAWVLYUBZONDD-HSZRJFAPSA-N 399.446 4.967 0 50 GJAA O=S(=O)(NC[C@@H]1C[C@H]1c1cccs1)c1cc(Cl)c(Cl)cc1Cl 1857799327 WTZXEECPWKTGNO-DTWKUNHWSA-N 396.748 4.790 0 50 GJAA C[C@H](C(=O)N1CCC[C@H]1c1cc(F)ccc1Cl)n1ccc(C(F)(F)F)n1 1875331584 OGIDKYSCMGSWJI-YGRLFVJLSA-N 389.780 4.619 0 50 GJAA Cc1c([C@@H](C)NC(=O)Nc2ccc([C@H]3CCC(=O)N3)cc2)oc2ccccc12 2325782074 UTCYNCWUMHJLIC-RDTXWAMCSA-N 377.444 4.575 0 50 GJAA Cc1cc(-n2ccnc2C)ccc1CNCc1cc(Br)ccc1F 2325820633 SOPCUHVXJAZMGD-UHFFFAOYSA-N 388.284 4.681 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C)C2 993937 QAOQTEJTCJHTIB-GFCCVEGCSA-N 375.465 4.830 0 50 GJAA CCOC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCC2 1109702 LHMDRXOWWYHKQZ-UHFFFAOYSA-N 393.505 4.674 0 50 GJAA COc1ccc(-c2cn3c4ccccc4nc3n2CCNC2CCCCC2)cc1 1208824 FQLJITULLLNSSN-UHFFFAOYSA-N 388.515 4.887 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)o1 2656656 JUUIIYXORLGZHF-UHFFFAOYSA-N 376.441 4.784 0 50 GJAA CC(=O)c1cccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 2861295 RNBISKVVWSTZBB-UHFFFAOYSA-N 383.403 4.915 0 50 GJAA COc1cc(C=O)ccc1OCCCOc1c(C)cc(C)cc1Br 2984022 GXBQWCGGPLMWPZ-UHFFFAOYSA-N 393.277 4.735 0 50 GJAA CCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)s1 6574243 UMKPHTYMPCUQSM-UHFFFAOYSA-N 390.512 4.542 0 50 GJAA COc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccco2)C1 8682645 ZVUHIVNFXILDTP-SFHVURJKSA-N 377.469 4.836 0 50 GJAA aggregator CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1 12434784 OJGPOHOXFKPODP-IBGZPJMESA-N 391.540 4.689 0 50 GJAA CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 18181606 FFZITECHGJJKDJ-UHFFFAOYSA-N 386.908 4.979 0 50 GJAA Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)N2CCC(C)CC2)cc1 21487106 BOSXHNXWTFLXBP-QNGOZBTKSA-N 396.918 4.678 0 50 GJAA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 21487223 HSKDHXQMROJTBD-OAHLLOKOSA-N 392.113 4.556 0 50 GJAA CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1ccc(Cl)s1 65381912 UAZPGJYIGVGPQF-LLVKDONJSA-N 378.881 4.623 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(c4cc(C)ncn4)CC3)cc2)c1 95510501 KDWKHYCWHUQFGO-UHFFFAOYSA-N 386.499 4.616 0 50 GJAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 257358150 RXOKKASEHMRJLZ-XIOQGWQRSA-N 386.532 4.980 0 50 GJAA Cn1c(-c2ccc(Cl)c(Cl)c2)cn(CC(=O)c2ccc(Cl)cc2)c1=N 334157559 LHUUYLXWKFEXPX-UHFFFAOYSA-N 394.689 4.816 0 50 GJAA COc1cc(Br)cc(CN2C[C@H](C)CN(C)c3ccccc32)c1 1875349637 GTIPPPDNIRUAHW-CQSZACIVSA-N 375.310 4.550 0 50 GJAA CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C(C)(C)C 2325871583 QXHXBTVXOJIYFX-UHFFFAOYSA-N 386.517 4.586 0 50 GJAA CCOc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)ccc3n2)cc1 653409 AMNIDWHBQWCVOA-LJQANCHMSA-N 390.483 4.518 0 50 GJAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 992001 FRLGARQCPSJTIT-KRWDZBQOSA-N 387.435 4.676 0 50 GJAA COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3C)n2)cc1 1109037 HTAPSVZBTJYMBP-UHFFFAOYSA-N 397.525 4.562 0 50 GJAA Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(Br)c1 1122466 JOLKNMMRGDBWJR-UHFFFAOYSA-N 390.321 4.964 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)O[C@H]1CCCC[C@@H]21 4788982 VQIZEMZOHPZSDU-SDYXESRWSA-N 384.472 4.867 0 50 GJAA O=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4955862 CFNLIPCEFDTPPQ-UHFFFAOYSA-N 391.901 4.615 0 50 GJAA CCOc1ccccc1-c1nc(CN(C)Cc2ccc(OC)c(OC)c2)c(C)o1 12717855 SGRRDUIEYHTPSQ-UHFFFAOYSA-N 396.487 4.698 0 50 GJAA CCOc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)cc1 13281945 OEBTZNGWQFLATO-UHFFFAOYSA-N 393.306 4.895 0 50 GJAA Fc1ccc(-c2cccc(N3CCC(NCCc4ccncc4)CC3)c2)cc1 20204642 FLHYRMNCCLFMBS-UHFFFAOYSA-N 375.491 4.689 0 50 GJAA CCCN1CCC2(CC1)N=C(c1ccc(Cl)cc1)[C@H]1[C@H](c3ccccc3)N12 25504149 FYYBQIDGJNHVDB-BTOHDXCHSA-N 379.935 4.770 0 50 GJAA Cc1cc(NC(=O)c2sc3nc(CC(C)C)cc(C(F)(F)F)c3c2N)no1 67614230 XUWKXJMEADWXEM-UHFFFAOYSA-N 398.410 4.645 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(F)CC2)c(F)c1 72476264 GZGBZLUFFSKXTL-UHFFFAOYSA-N 383.442 4.621 0 50 GJAA Fc1cc(Br)ccc1NCc1nnc(-c2cccc(Cl)c2)o1 132955147 VTUNHDBXAYIHAW-UHFFFAOYSA-N 382.620 4.904 0 50 GJAA Cc1coc(-c2cccc(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)c2)n1 186583999 NHMUNFBJJKUYJZ-NRFANRHFSA-N 391.471 4.516 0 50 GJAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 241121734 JDPAWMCRBTZKDE-QRVBRYPASA-N 375.896 4.899 0 50 GJAA O=C(Nc1cc(F)ccc1OCC1CC1)c1cccc(NC(=O)c2ccco2)c1 252498797 RLJZGTSIFNYMLU-UHFFFAOYSA-N 394.402 4.712 0 50 GJAA Cc1nccc(-c2cccc(NC(=O)N3CCCC[C@H]3c3nccs3)c2)n1 299802791 PVTCJUHHWMBVMX-SFHVURJKSA-N 379.489 4.668 0 50 GJAA CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@H]3C[C@H]32)cc1 2325862405 SQQBEZWNFPGETP-WPSZSDGUSA-N 392.499 4.927 0 50 GJAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 884401 ABVUZEFIUKYRCP-UHFFFAOYSA-N 376.456 4.722 0 50 GJAA CC(C)Oc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)c1 1073493 WBLWNPQUEAWXDO-UHFFFAOYSA-N 391.496 4.522 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)oc2c1 1186751 LSWQAQSJUMELDZ-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c1C 1215118 NRVQLAPSHBJBNQ-AYIBLLACSA-N 393.486 4.874 0 50 GJAA O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4738040 QQFDCBSRNFLGNQ-LLVKDONJSA-N 386.662 4.919 0 50 GJAA CCOc1ccc(Cc2n[nH]c(=S)n2-c2cc(C)ccc2C)cc1OCC 6418643 GQPZNCXRWCHRSU-UHFFFAOYSA-N 383.517 4.935 0 50 GJAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)cc1C 11663764 CDHBQMIJAHBXMQ-XMMPIXPASA-N 386.499 4.664 0 50 GJAA O=C(CCC1CCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1)N1CCCC1 12455199 YSEUGPXATDUROE-FQEVSTJZSA-N 390.593 4.604 0 50 GJAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)c1 20601043 JCQYJVFHGAYNMY-LJQANCHMSA-N 392.524 4.914 0 50 GJAA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)c3ccn(C)n3)cc12 20615988 HKEILRISVUOKME-QGZVFWFLSA-N 386.499 4.531 0 50 GJAA Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71754486 CXDUJHXLHQOMLC-MRXNPFEDSA-N 380.410 4.795 0 50 GJAA CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 192784312 BDJPHWXKISBTBH-UHFFFAOYSA-N 391.452 4.558 0 50 GJAA CC(C)c1cnc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 252477285 LGGNYKYHOAYCMX-IAGOWNOFSA-N 377.529 4.552 0 50 GJAA O=C(Nc1ccc(OCCn2ccnc2)cc1)c1ccc(F)c2ccccc12 2325742633 BRWGVHUWWLJJHA-UHFFFAOYSA-N 375.403 4.507 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3CC3CCC(F)(F)CC3)C2=O)cc1 2356150240 SMNXQYYOMRHCIO-OAQYLSRUSA-N 376.491 4.782 0 50 GJAA CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 657315 OFMFITVSLZRWBC-UHFFFAOYSA-N 386.495 4.715 0 50 GJAA Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCCC3)ncnc21 1127346 FGANKVPJYTWBHR-UHFFFAOYSA-N 376.291 4.562 0 50 GJAA CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OCC 1192995 LKXCTCAEBYRRQB-BOPFTXTBSA-N 385.847 4.790 0 50 GJAA Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)NCCCn3ccnc3)c2c1 6420865 FIHMEGNAVOUTSF-UHFFFAOYSA-N 390.512 4.597 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccoc2)C1)Nc1ccc(C(F)(F)F)cc1 12581457 PTJYJRJFZLAYAG-HNNXBMFYSA-N 380.410 4.929 0 50 GJAA Cc1cc(CN(C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)on1 12585235 CZTIAOZPMDODOE-UHFFFAOYSA-N 388.471 4.808 0 50 GJAA O=C(Cc1noc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1Cl 16579684 GFSGEVDZBMPMFG-UHFFFAOYSA-N 382.634 4.878 0 50 GJAA O=C(NCc1ccncc1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 18182079 CAOTVXGYTWCKQE-WVKNIADZSA-N 380.919 4.889 0 50 GJAA investigational Cc1ncsc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71440078 WBRABRSARYXYSS-CQSZACIVSA-N 382.451 4.955 0 50 GJAA C[S@@](=O)Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl 115268655 INBBPIMIUVUFSS-SANMLTNESA-N 391.851 4.870 0 50 GJAA O=C(CSc1ccc(Cl)cn1)Nc1c(F)cc(F)cc1Br 119808682 SEODRPMGULCYDB-UHFFFAOYSA-N 393.640 4.507 0 50 GJAA O=C(O)/C=C/c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 170616523 BGCXFHJJAAWPSQ-FPYGCLRLSA-N 386.201 4.545 0 50 GJAA CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 252461151 KZRHTEGJCHXUCF-VAMGGRTRSA-N 397.563 4.534 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CCC[C@H](c4cc(F)ccc4F)C3)ccc2N1 252480850 CFDNTCBMMQKTQV-HNNXBMFYSA-N 399.441 4.651 0 50 GJAA Cc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 263618954 WGJJHBSCCACXNM-LJQANCHMSA-N 392.846 4.833 0 50 GJAA Cc1cccnc1CN(C)C(=O)NCCCSCc1ccccc1Cl 584893950 DYBSZVQABYXFLA-UHFFFAOYSA-N 377.941 4.508 0 50 GJAA COc1ccc(OC(C)(C)c2nc(-c3ccc(Br)cc3)no2)cc1 904710700 VUVUEZFZWQBVHX-UHFFFAOYSA-N 389.249 4.822 0 50 GJAA O=C(Nc1ccccc1Cc1cccnc1)c1csc(-c2ccc(O)cc2)n1 1875264425 JFJPNMQOBHFLIW-UHFFFAOYSA-N 387.464 4.754 0 50 GJAA Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2CC1CCCCC1 2356142141 GDSLLVCCYJTOGU-MLNNCEHLSA-N 399.579 4.577 0 50 GJAA Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc24)CC3)cc1 855047 IWQFVVUFLZSCCZ-JOCHJYFZSA-N 395.549 4.683 0 50 GJAA CCN(C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 939633 KHJKORGYKCYYFZ-UHFFFAOYSA-N 394.780 4.556 0 50 GJAA CC(=O)c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2c(C)cc(=O)oc12 946375 HOFOVDULSQOAFH-UHFFFAOYSA-N 391.206 4.830 0 50 GJAA O=C(N[C@H](C(=O)O)C1CCCCC1)OCC1c2ccccc2-c2ccccc21 1036845 BWQQGHPODCJZDB-NRFANRHFSA-N 379.456 4.559 0 50 GJAA in-vitro O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccs1 1104281 NZKLIQYOZBDQJH-UHFFFAOYSA-N 399.855 4.656 0 50 GJAA CCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1OCC 2867446 MBLAXGWOLAPNLD-UHFFFAOYSA-N 389.451 4.967 0 50 GJAA CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1 2942503 JJGOINSUTXOPDH-UHFFFAOYSA-N 399.240 4.659 0 50 GJAA CC1CCN(Cn2nc(COc3ccccc3)n(-c3ccccc3)c2=S)CC1 4181609 KFCGJEJQHLRZNF-UHFFFAOYSA-N 394.544 4.672 0 50 GJAA CC[C@]1(C)Cc2ccccc2-c2nc(SC)n(Cc3ccccc3)c(=O)c21 4694738 IWPGJNPUOSYCGZ-HSZRJFAPSA-N 376.525 4.904 0 50 GJAA O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 8996057 BLVVIFDPFZHYLP-UHFFFAOYSA-N 377.447 4.947 0 50 GJAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 15636552 LQJNHQFMXRWXTN-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCO[C@H](c2ccccc2)C1 27899805 PABGWWMFLVAQEF-DEOSSOPVSA-N 395.462 4.511 0 50 GJAA C[C@@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)n1cccc1 67562604 LFUWASSTIGWWBD-AWEZNQCLSA-N 389.377 4.572 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71765145 ZWYHOEOGNQUMLN-HNNXBMFYSA-N 396.437 4.704 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1nnc2n1CCCC2 181499305 QMNFKCUYKOYWJP-CQSZACIVSA-N 394.306 4.680 0 50 GJAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 240871415 IKJQCLLYSPWOGO-LJCCNALRSA-N 390.955 4.570 0 50 GJAA O=C(Nc1cccc(Oc2ccnc3ccccc23)c1)c1ncc(F)cc1F 428709448 LXQGDDCBNJEMMR-UHFFFAOYSA-N 377.350 4.953 0 50 GJAA Cc1nc(C)c(F)c(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)n1 481847596 VKIWJNBMHYSKRP-UHFFFAOYSA-N 389.434 4.889 0 50 GJAA O=C(c1ccc(CN2CCCCC2)cc1)N1CC=C(c2ccc(F)cc2)CC1 557273698 RSSCWPUAMCZQIG-UHFFFAOYSA-N 378.491 4.741 0 50 GJAA C[C@@H](NC(=O)N[C@@H]1COc2cccc(F)c21)c1ccc(Oc2cccnc2)cc1 1875258260 XCNDRFMHLJAHLN-AUUYWEPGSA-N 393.418 4.507 0 50 GJAA c1ccc(-c2cc(CNC[C@H]3CC4c5ccccc5C3c3ccccc34)[nH]n2)nc1 1875322133 JJJVNJQQEKUUCL-ZFAMYZPZSA-N 392.506 4.859 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(-c2cncs2)n1 1875331891 YNSLZGIELFSVSR-SSDOTTSWSA-N 386.658 4.749 0 50 GJAA CCOc1ccc([C@@H](NC(=O)c2coc3cccc(O)c23)C(F)(F)F)cc1 1875342823 ISZZPPDAXKBINV-QGZVFWFLSA-N 379.334 4.571 0 50 GJAA C[C@@H](SCc1cc2ccc(F)cc2nc1O)C(=O)NCCC1=CCCCC1 1875359916 SVSZKOJZTFOOEM-CQSZACIVSA-N 388.508 4.708 0 50 GJAA COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(Cl)c1Cl 1127608 NWDICWKZWDBTDD-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA Cc1ccc(-c2ccc(/C=C3/SC(=O)N(C)C3=O)o2)c(Br)c1 1186650 IFZXUYAKRBHVGK-RIYZIHGNSA-N 378.247 4.684 0 50 GJAA CCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1Br 1220288 SZTRHMXFRGCDCU-UHFFFAOYSA-N 377.263 4.710 0 50 GJAA S=C(c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCOCC1 2866510 QAIMMZPSBWZGAW-UHFFFAOYSA-N 382.312 4.580 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1ccc(-n2cccn2)cc1 12053715 IANSMTVYRNQBDW-UHFFFAOYSA-N 394.425 4.746 0 50 GJAA Cc1ccc(CN2CCC(CN(C)Cc3ccc4cccc(F)c4n3)CC2)o1 12306765 QXJWFQLTBOXVHQ-UHFFFAOYSA-N 381.495 4.619 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Nc2ccccc2C)C1 12571438 XSGPVLBCHRIGEQ-OAQYLSRUSA-N 379.548 4.722 0 50 GJAA CC[C@H](Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c12)c1cccs1 14999192 BALYCVSOGGXCJP-ZDUSSCGKSA-N 386.546 4.860 0 50 GJAA O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2cccc(Cl)c2)CC1 16606979 LUZJBTCXGYTYIA-UHFFFAOYSA-N 386.967 4.637 0 50 GJAA CN(Cc1cnccn1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 55245520 AXKXIMQYDPCQLB-UHFFFAOYSA-N 375.520 4.557 0 50 GJAA Cc1nccn1CCn1cnc(-c2ccccc2)c1-c1cccc2cccnc12 65465755 QUAOCWFJYFWNKN-UHFFFAOYSA-N 379.467 4.970 0 50 GJAA CCc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCC(O)CC3)o2)cc1 170643216 PRWFOQVJZGDDCO-UHFFFAOYSA-N 390.483 4.722 0 50 GJAA Cc1nc(-c2ccccn2)sc1C(=O)N1CCCN(C)c2ccc(Cl)cc21 225416249 HRMUHFQWEBEMFQ-UHFFFAOYSA-N 398.919 4.654 0 50 GJAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@@H]12 239121128 JIUIERPXYBEDNJ-AVIJNYRZSA-N 383.447 5.334 0 50 GJAA O=C(c1ccc2[nH]ccc2c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 295667884 RJVMMJOMRIMUAW-UHFFFAOYSA-N 379.407 4.663 0 50 GJAA CCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC 1776003196 XVPOILGYKFJQIT-UHFFFAOYSA-N 388.316 4.928 0 50 GJAA O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@@H](C1)C2(F)F 2325751565 NMPMNFMALRCNHT-JGVFFNPUSA-N 387.160 4.714 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1F)Nc1ccc(-c2cn3cccnc3n2)cc1 2325841748 FLAWOZRSEHLRJT-WEVVVXLNSA-N 392.821 4.841 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)N[C@H]1CC[C@H](C(=O)O)CC1 2356151039 NRAYMMZBBTVLCN-VDGAXYAQSA-N 385.891 4.622 0 50 GJAA Cc1ccc(SCC(=O)Nc2ccc(I)cc2C)cc1 638180 DEVUFPPCHGYYCN-UHFFFAOYSA-N 397.281 4.639 0 50 GJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 1073322 QJXKDBJGNABVDS-UHFFFAOYSA-N 397.434 4.629 0 50 GJAA COc1cc(SC)ccc1C(=O)N[C@@H](C)c1ccc(Br)cc1 1095618 SYXBRUNVXVRUPY-NSHDSACASA-N 380.307 4.671 0 50 GJAA COc1cc(C(=S)N2CCCC2)ccc1OCc1c(F)cccc1Cl 1142138 RIQSDPQCBJECAU-UHFFFAOYSA-N 379.884 4.838 0 50 GJAA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CSC(=N)N)cc1 4725147 PMAIQLMDFJDGDR-UHFFFAOYSA-N 380.517 4.701 0 50 GJAA COc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 8275260 QLRZZJPJQOKXDX-UHFFFAOYSA-N 384.867 4.854 0 50 GJAA COc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]nc2C2CCCCC2)C1 11935520 NYYRUXGHQBHJJI-SFHVURJKSA-N 381.520 4.561 0 50 GJAA O=C(/C=C/c1ccccn1)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 15007317 INTSCOLUOAWTIE-WRFKIARRSA-N 396.899 4.597 0 50 GJAA O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl 16622810 XOLHSYLFLGPSML-UHFFFAOYSA-N 375.875 4.513 0 50 GJAA c1ccc(Cc2cn[nH]c2[C@H]2CCCN(Cc3cccc4cccnc34)C2)cc1 20600028 WIWIHPVFFVNHKZ-QFIPXVFZSA-N 382.511 4.928 0 50 GJAA OCc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1 72130601 QBFPMPVAODSMMY-UHFFFAOYSA-N 377.831 4.535 0 50 GJAA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccc(Cl)n1 122660809 BCOODCRNIWQYFB-CQSZACIVSA-N 381.307 4.527 0 50 GJAA Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(OC3CCC3)c(F)c2)cs1 189079433 QVADBDQBBHYANM-QGZVFWFLSA-N 375.469 4.891 0 50 GJAA CC(C)Cn1ccc2c(NC(=O)CC3(n4cccc4)CCOCC3)cccc21 263588398 SYUZDNUDHYJBTK-UHFFFAOYSA-N 379.504 4.633 0 50 GJAA Cc1ccsc1CN(C(=O)c1ccc(-c2c[nH]c(=N)c(C)c2)cc1)C1CC1 426518784 LVQGKJNCPBUYJU-UHFFFAOYSA-N 377.513 4.644 0 50 GJAA O=C(NCc1ccc2c(c1)COC2)N1Cc2ccccc2[C@H](c2ccccc2)C1 431677545 DIRCSRLYTIRHFZ-DEOSSOPVSA-N 384.479 4.574 0 50 GJAA COc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 952966754 DWCGZEFHYXPVIW-HXUWFJFHSA-N 386.923 4.778 0 50 GJAA CC(C)c1nccc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704302674 AHPHOQHTKOWXAP-RUZDIDTESA-N 399.542 4.537 0 50 GJAA O=C(O)c1c(NCC[C@@H]2CCCCN2C2CCCC2)noc1-c1ccccc1 1704310531 ZTCVMULAUBSJSY-SFHVURJKSA-N 383.492 4.639 0 50 GJAA Cc1cccc(C[C@@H](CO)CNCc2ccc(-c3nc4ccccc4s3)o2)c1 1875253809 DFKFPOIKGVMQCA-GOSISDBHSA-N 392.524 4.806 0 50 GJAA Cc1cc(NC(=O)c2cccnc2)ccc1OC[C@@H](O)c1ccc(C(C)C)cc1 2325749012 YWTIFLRJNYAPLC-JOCHJYFZSA-N 390.483 4.878 0 50 GJAA Cc1sc(NC(=O)CSc2ccccc2)c(C(N)=O)c1-c1ccccc1 999741 VLYJQDMJMSCKGL-UHFFFAOYSA-N 382.510 4.553 0 50 GJAA O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 4713303 YNIBZSNKNOYVGX-NSHDSACASA-N 386.662 4.919 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1cccs1 12020663 VVRSCJWKAANTKD-QGZVFWFLSA-N 380.513 4.650 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(Cc2ccc(F)c(F)c2)CC3)c1 12042527 WXXOURSSSCYIRH-LJQANCHMSA-N 384.470 4.822 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)N1CCCC1 12093426 IMOFDIVMWPVBED-FQEVSTJZSA-N 384.564 4.623 0 50 GJAA Cc1nc2cc(OCc3cc(C(=O)NCCC4=CCCCC4)no3)ccc2s1 12112254 QTDJVWRPHDLUCU-UHFFFAOYSA-N 397.500 4.792 0 50 GJAA O=C(CCc1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12440721 DAOHUXIKAAHJAJ-HSZRJFAPSA-N 387.508 4.731 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2ccsc2)C1 14971318 PIBNODVJOREMJW-GOSISDBHSA-N 384.574 4.549 0 50 GJAA O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1Br 16577801 RRLFRJICIYEHCJ-UHFFFAOYSA-N 377.257 4.831 0 50 GJAA Cc1nn(C)cc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C 19634101 GYEPPAGUBXUTIY-UHFFFAOYSA-N 386.499 4.991 0 50 GJAA O=C(Nc1ccncc1)c1ccc([C@H]2CCCN2C(=O)CC2CCCC2)s1 20999108 KGNNPQCQFRYKPT-QGZVFWFLSA-N 383.517 4.639 0 50 GJAA CCCn1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c(C)n1 39364601 CZEYBPGWQTZTHP-OAQYLSRUSA-N 395.526 4.730 0 50 GJAA NCCCCCn1cnc(-c2ccccc2)c1-c1cccc(Cn2cccn2)c1 65381111 YJSPEIZESITMRX-UHFFFAOYSA-N 385.515 4.591 0 50 GJAA C[C@@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 170629028 LLTGSTOOOURPKS-IBGZPJMESA-N 394.559 4.705 0 50 GJAA C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H]1c1cccs1 241774173 RNROAESHRSCKDJ-PXNSSMCTSA-N 383.561 4.903 0 50 GJAA C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1cccs1 248125015 OJMORDKMELMKPD-ZBFHGGJFSA-N 385.558 4.714 0 50 GJAA CC(C)c1noc(-c2ccnc(N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)c2)n1 328779987 GWFXZEBDJUBZLS-CQSZACIVSA-N 380.414 4.814 0 50 GJAA C[C@@](CO)(NC(=O)c1cccc(Cl)c1Cl)c1cc(Cl)cc(Cl)c1 857528588 UNVBUIUFGPHKMU-INIZCTEOSA-N 393.097 4.938 0 50 GJAA O=C([C@@H]1CCOC2(CCC2)C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 895763080 AANSSGFYNGOUSR-OAHLLOKOSA-N 388.895 4.537 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(=O)ccc2c1 1115636 VILDWQQVVYNGKA-SNVBAGLBSA-N 378.211 4.506 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccccc2)cc1 1144480 PNSNZFHZUOEZBA-UHFFFAOYSA-N 392.480 4.678 0 50 GJAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1C 1181867 HRIREZIAJDWDCF-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA CCCCNCc1cc(Br)c(OCc2cccs2)c(OC)c1 2846456 LPFGWSRDJVSZKN-UHFFFAOYSA-N 384.339 4.988 0 50 GJAA O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccccc1 2857132 ONDQYXCHTLQKBK-UHFFFAOYSA-N 382.467 4.830 0 50 GJAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c(F)c1 15074305 LJQOUHRZNMIVJN-QFIPXVFZSA-N 393.487 4.920 0 50 GJAA CCCCc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C 17078358 HJROGBRBUPSBIB-UHFFFAOYSA-N 383.517 4.633 0 50 GJAA CCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc2ccccc2n1 65372113 DKGOUGGGMYDTOW-UHFFFAOYSA-N 394.482 4.619 0 50 GJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12 67846755 YUIISIHWWZBZKQ-SFHVURJKSA-N 394.475 4.820 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3onc4ccccc34)C2)cc1 67880178 SMRVDJCBSXTTRI-QGZVFWFLSA-N 386.455 4.546 0 50 GJAA CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@@H]1CCCO1 72479027 NVXSOWGBQKEOCW-IBGZPJMESA-N 399.897 4.943 0 50 GJAA CNc1nc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)cs1 77554407 ZGKFLWBQDZAQPS-UHFFFAOYSA-N 394.475 4.711 0 50 GJAA COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1OC 197175168 ZDNWPEVWMMJZJR-PERASSARSA-N 379.456 4.699 0 50 GJAA O=C(Cc1ccc(Cl)c2cccnc12)Nc1cccc(Oc2cnccn2)c1 1875362053 OBRXGNTXEWSTPI-UHFFFAOYSA-N 390.830 4.652 0 50 GJAA c1ccc(COc2ccc(CNc3ccc(CNc4ncn[nH]4)cc3)cc2)cc1 623744 QPVHQQKCGDFPQA-UHFFFAOYSA-N 385.471 4.608 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1F 708878 UIFZQUBJUDLVME-UHFFFAOYSA-N 399.443 4.992 0 50 GJAA CC(=O)c1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c(C)cc(=O)oc12 959310 XMVDZHAETXIHDD-UHFFFAOYSA-N 391.206 4.830 0 50 GJAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)O)c2)C3=O)cc1C 1154576 YXBLZVYWHUZGGO-UHFFFAOYSA-N 387.391 4.595 0 50 GJAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 1192896 HPWGRHCLAFOCCC-MOSHPQCFSA-N 391.373 4.888 0 50 GJAA Cc1nc(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)sc1C 2787958 DYXAONKYOVNXIF-UHFFFAOYSA-N 397.287 4.552 0 50 GJAA CCC(=O)Nc1cccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)c1 2868364 LEBOIKPHBUVEBN-UHFFFAOYSA-N 387.435 4.623 0 50 GJAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 6251470 OMZRYNOJVXGJHV-UHFFFAOYSA-N 377.625 4.653 0 50 GJAA Cc1ccc(-c2noc(CN(C(=O)CSc3ccccc3)C(C)C)n2)cc1 6736984 DFAYOFRJVLRERG-UHFFFAOYSA-N 381.501 4.574 0 50 GJAA CC[C@H](Nc1ccc(-c2nc(COc3ccccc3)no2)cn1)c1ccncc1 11822118 UPOPSZKKBXYWCZ-IBGZPJMESA-N 387.443 4.669 0 50 GJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cc(C(C)C)[nH]n4)C3)ccc2c1 12300217 XXMBUQGZVAKEEL-HXUWFJFHSA-N 391.515 4.790 0 50 GJAA CC(=O)c1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12433037 WUUJRUWBEXPGHK-XMMPIXPASA-N 395.462 4.553 0 50 GJAA c1cc(-c2ccncc2)cc(-c2ccn(Cc3cc(-c4ccncc4)no3)n2)c1 20295572 QJOWWCBCVCHLJZ-UHFFFAOYSA-N 379.423 4.710 0 50 GJAA COc1cc(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)ccc1O 20911399 JUFFLAOQLOMYJB-JOCHJYFZSA-N 381.497 4.907 0 50 GJAA CCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2C)c(O)c2ccccc21 100658356 SRUGZRUYCZLZAB-UHFFFAOYSA-N 378.472 4.766 0 50 GJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cc(Cl)cc2c1OCC2 120511636 ZOWKOIAHQQCRDR-KRWDZBQOSA-N 388.899 4.764 0 50 GJAA Cc1ccc(-c2nc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)cs2)c(C)c1 163123798 XIEBUFMTPJGJBZ-UHFFFAOYSA-N 395.459 4.703 0 50 GJAA Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccc(Oc3nccc(C)n3)cc1)CC2 187296212 XVPSZQSHCNDBJT-UHFFFAOYSA-N 388.471 4.784 0 50 GJAA C[C@@H](N[C@@H]1C[C@H]2CC[C@H]1C2)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 239274978 BAGQROZBNZFPGW-LZIJIFKYSA-N 384.007 6.345 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 257347854 WMUMZOAFCDOTRW-PRHMSKGJSA-N 390.564 4.686 0 50 GJAA Cc1nc(-c2cccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)c2)sc1C 299789763 AAIMDSVYMFUVNV-IBGZPJMESA-N 378.497 4.503 0 50 GJAA CC(=O)c1cccc(COC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1 2325704787 MOJWZSMIHSNNRQ-CSKARUKUSA-N 391.398 4.972 0 50 GJAA O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 1085191 WMZRRXZKVKUQSA-CHWSQXEVSA-N 388.678 4.636 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)c3cccs3)ccc12 1166637 RJZQITSCFSEEFK-UHFFFAOYSA-N 376.433 4.973 0 50 GJAA COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1 1454495 GNHPPWCPNUGOTM-UHFFFAOYSA-N 377.421 4.986 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)no2)cc1 2797565 HVJFGOPUVMNYSB-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl 7759745 HNIDMRZTEXJYDP-UHFFFAOYSA-N 382.634 4.627 0 50 GJAA CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1C1CCCCC1 9028499 FHIGQKCPOMRMNI-UHFFFAOYSA-N 382.533 4.812 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)no1 11817935 SZXUNNIJAAYTEE-SFHVURJKSA-N 392.430 4.524 0 50 GJAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1 13324774 ZATZFLJLJCSNRJ-UHFFFAOYSA-N 388.295 4.544 0 50 GJAA Cc1nc(NCc2ccccc2)sc1-c1ccn(-c2ccc3c(c2)OCO3)n1 15071621 BVAYDASWEWHFIP-UHFFFAOYSA-N 390.468 4.645 0 50 GJAA COc1ccc2cc(CNCCc3c(C)n[nH]c3C)c(-c3ccsc3)nc2c1 20865035 JDWUSCBCPZESFN-UHFFFAOYSA-N 392.528 4.644 0 50 GJAA CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 238882075 CHKIYNDAMSPSOR-XWJBARJFSA-N 386.586 4.935 0 50 GJAA Cc1nc(C2(NC(=O)[C@H]3C[C@H]3c3cccc4ccccc34)CCCCC2)no1 332675484 BHKBHYWUFVXWHN-PMACEKPBSA-N 375.472 4.611 0 50 GJAA Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C(=O)CC1(CCC(=O)CC1)O2 828258876 WURLWSFTEHNRAG-UHFFFAOYSA-N 388.419 4.616 0 50 GJAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 1506409220 VXTFRRBSUMZFIM-GOSISDBHSA-N 388.442 4.623 0 50 GJAA O=C(c1ccc2c3c([nH]c2c1)CCCC3)N1CCC([C@@H](O)c2cccs2)CC1 1506418075 NZSKDPWKRSUFGQ-JOCHJYFZSA-N 394.540 4.694 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccccc3OCc3ccccc3)C1)CC2 1704314269 XHGXUWRCDYNDPC-SANMLTNESA-N 399.538 4.844 0 50 GJAA Cc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Br)cc2)cc1 1772765494 CCXCVCSZZMKKGO-UHFFFAOYSA-N 388.290 4.716 0 50 GJAA CCOc1cc(-c2nccn2[C@@H]2CCN[C@@H](C)C2)c(Cl)cc1OC(C)C 1857714535 CQHPOVWEBLRPNU-LSDHHAIUSA-N 377.916 4.702 0 50 GJAA OC1(c2ccccc2)CCC(NCc2ccnc(OCc3ccccc3)c2)CC1 2325737522 UTFVTJAACZVTLV-UHFFFAOYSA-N 388.511 4.581 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)cc1 1143417 XRHIFQUCTNHWBK-UHFFFAOYSA-N 386.455 4.688 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C)C2 1199917 HZTDQMWTXQQCAA-LBPRGKRZSA-N 375.465 4.830 0 50 GJAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 1205664 CPSWSJLTJIUYOH-UHFFFAOYSA-N 382.847 4.689 0 50 GJAA COc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1219084 IQOMQYDKMVHTAU-UHFFFAOYSA-N 386.860 4.735 0 50 GJAA CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 2950531 VUVFSZNFPHRRFC-UHFFFAOYSA-N 394.427 4.582 0 50 GJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2=O)cc1 11955926 PLOHNZLCLCFBJV-HSZRJFAPSA-N 396.556 4.526 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccoc2)C1)Nc1ccc(C(F)(F)F)cc1 12581460 PTJYJRJFZLAYAG-OAHLLOKOSA-N 380.410 4.929 0 50 GJAA O=C(c1cc(-c2ccccc2)on1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 58491069 FLZCWPQVLGOBPR-UHFFFAOYSA-N 377.831 4.675 0 50 GJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1 64984723 MPHBARQVMIZYLK-INIZCTEOSA-N 393.871 4.667 0 50 GJAA Cc1ccc(CN(Cc2ccccn2)C(=O)c2ccccc2-c2ncc[nH]2)s1 97492397 TXPRQBGZOZBKRM-UHFFFAOYSA-N 388.496 4.684 0 50 GJAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(-c2cccs2)nc2ccccc12 122745219 XANWFTBCKAQPLP-FOIQADDNSA-N 378.497 4.651 0 50 GJAA CCC1(CO)CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 134596713 WZXYQSCNCPMPGB-UHFFFAOYSA-N 386.542 4.650 0 50 GJAA CCO[C@@H]1C[C@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 170638756 QWOLFGKVXQVPTO-UONOGXRCSA-N 398.450 4.701 0 50 GJAA COC[C@H](NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1)c1ccc(C)o1 175660138 VZOKTNHCVAPDQG-FQEVSTJZSA-N 393.487 4.564 0 50 GJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@H]4C)c3C)C2)cc1 239025575 BUMIRAJIDGSMQV-YMTYPPQLSA-N 379.500 5.144 0 50 GJAA Clc1ccc(-c2ccc(CN3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)o2)cc1 239432858 WQNYQIKLPXBRNE-UPVQGACJSA-N 398.978 5.829 0 50 GJAA CC(=O)O[C@H](C(=O)N1c2ccccc2[C@H]2Cc3ccccc3[C@H]21)c1ccccc1 252507401 WKJHTOIEQGXZBI-JRFVFWCSSA-N 383.447 4.719 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccc(O)cc1)CC(=O)O2 253410915 NYCDFLAYBBDBCG-SFHVURJKSA-N 398.414 4.915 0 50 GJAA biogenic Clc1ccc([C@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 263617656 OWPQIJVUBCJDOC-GOSISDBHSA-N 384.867 4.906 0 50 GJAA CC(C)N(C(=O)c1ccccc1-c1ccc(OC[C@@H]2C[C@H]2C(=O)O)cc1)C(C)C 534639312 DYPNGXWAIRYDNP-PGRDOPGGSA-N 395.499 4.712 0 50 GJAA COc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 944939 HKWANWXJGNREID-UHFFFAOYSA-N 392.293 4.773 0 50 GJAA CC1(C)CC(=O)c2sc(NC(=O)c3cccnc3Oc3ccccc3)nc2C1 2539536 IHFNEDSIXIPMSB-UHFFFAOYSA-N 393.468 4.738 0 50 GJAA COc1ccccc1NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 4384744 BKXRLWUAIGIDNN-UHFFFAOYSA-N 390.464 4.581 0 50 GJAA CCCCn1c(-c2ccccc2)nc2c(sc3nc(C)cc(COC)c32)c1=O 4698430 FYZWTMZTWPPIHN-UHFFFAOYSA-N 393.512 4.928 0 50 GJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 4918827 IJBLYFOTTZSCAX-UHFFFAOYSA-N 397.544 4.593 0 50 GJAA Clc1ccc2nc([C@H]3CCCN3Cc3nc(Cc4ccccc4)no3)[nH]c2c1 11664614 JNDIBGOITUVIEK-GOSISDBHSA-N 393.878 4.527 0 50 GJAA CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 12002043 HWMIUNYPJRDCSJ-UHFFFAOYSA-N 389.499 4.812 0 50 GJAA CCn1ncc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c1C 20603061 QWQITBGXKUBJDQ-UHFFFAOYSA-N 381.430 4.917 0 50 GJAA O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 35529461 JBZXLQHJZHITMW-KBJGYGKASA-N 391.467 4.653 0 50 GJAA Cc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)c(C)c2c1 157328211 MGMBDYNPQBKGTI-UHFFFAOYSA-N 375.472 4.581 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2C(=O)N2CCCC[C@@H]21 169766697 XUDWHQRYQYJWCG-HXUWFJFHSA-N 397.906 4.693 0 50 GJAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 252503737 VGJPZZQYGJLBKV-HNNXBMFYSA-N 396.434 4.803 0 50 GJAA CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@H]1CC2 254486604 IGZVPNAJLMAGND-URYASSDKSA-N 391.305 4.800 0 50 GJAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1OCc1c(F)cccc1Cl 828874179 ZZKDDKORCYLAJG-FVQHAEBGSA-N 375.871 4.546 0 50 GJAA C[C@]1(c2cccs2)NC(=O)N(C/C=C/c2ccc(-c3ccccc3)cc2)C1=O 1875378689 BHTJBNQKJIQSJR-NKOINVLESA-N 388.492 4.896 0 50 GJAA COc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)cc1 951910 PPUUDCZTZKXQBY-UHFFFAOYSA-N 382.872 4.835 0 50 GJAA CC(C)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1 1141516 ZSGITTQJLLZRAD-UHFFFAOYSA-N 380.326 4.958 0 50 GJAA Nc1nc(C(Cl)(Cl)Cl)nc(-c2ccccc2)c1C(=O)c1ccccc1 1184288 ZMPVBMOJNMVZOY-UHFFFAOYSA-N 392.673 4.784 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncc2c(n1)-c1ccccc1CC2 1382257 HSJRHZQUTQKENY-UHFFFAOYSA-N 384.361 4.905 0 50 GJAA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Cl)cc1 2186840 XLWWKDKDBTTXAK-SFHVURJKSA-N 379.843 4.751 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C(F)(F)F)c1 2431256 RWCQECVSGRIMTJ-UHFFFAOYSA-N 395.768 4.980 0 50 GJAA COc1ccc(-c2cccc(C(=O)NCCOc3ccccc3Cl)c2)cc1 3002941 JFKLYZUPWZKBJP-UHFFFAOYSA-N 381.859 4.824 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC12CC3CC(CC(C3)C1)C2 6184330 AIFDWPYFFUVYRQ-UHFFFAOYSA-N 377.532 4.712 0 50 GJAA COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 7485953 LXFKEVQQSKQXPR-UHFFFAOYSA-N 376.865 4.538 0 50 GJAA in-vitro COc1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cc(Cl)c1O 12385815 JGCURWMSQCMXSV-CQSZACIVSA-N 379.909 4.519 0 50 GJAA C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]cn1 67772639 BWDLJCGMEFGYRR-GOSISDBHSA-N 380.536 4.636 0 50 GJAA COc1cc2c(cc1NC(=O)CC(C)C)[C@H](c1cccc3[nH]ccc13)CC(=O)N2 67817072 BGDNIPPZGQLVPM-INIZCTEOSA-N 391.471 4.635 0 50 GJAA Oc1cccc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)c1 95356410 WPBHDBIFSWHHSX-QFIPXVFZSA-N 376.544 4.626 0 50 GJAA CCCCN(Cc1cccnc1)C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 96140981 MKWPZKJXJBKHLQ-UHFFFAOYSA-N 377.492 4.718 0 50 GJAA COc1ccc(C(=O)Nc2cc(CN3CCCC3)ccc2C)c(OC(C)C)c1 252501051 UBWZLRJGXQABAA-UHFFFAOYSA-N 382.504 4.639 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@@H](OCc3ccccn3)C2)s1 952989712 TVLKEVJMWUDIJC-LJQANCHMSA-N 379.529 4.695 0 50 GJAA O=C(c1ccccn1)[C@@H]1CCCN(c2ccnc3c(C(F)(F)F)cccc23)C1 1704316267 LBJGIQPTTJVINI-CQSZACIVSA-N 385.389 4.748 0 50 GJAA Fc1cccc(Cl)c1-c1nccn1C12C[C@H]3C[C@@H](CC(n4cncn4)(C3)C1)C2 1857677058 WILSCVRFCHKCJE-VKFLQFAXSA-N 397.885 4.639 0 50 GJAA O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822525 AGSFHSDQEBKLQO-UHFFFAOYSA-N 399.853 4.553 0 50 GJAA COc1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCc3cnc(C)nc32)C1 2356140788 PUENYLIILANSOY-HXUWFJFHSA-N 392.330 4.580 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 996039 KOINGDRHDLKHMO-NSHDSACASA-N 382.243 4.576 0 50 GJAA CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 1081026 CHNDADPZYPZVAY-CQSZACIVSA-N 388.533 4.980 0 50 GJAA COC(=O)c1cccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1 1084558 SCZZONNIMUJSNU-UHFFFAOYSA-N 390.508 4.872 0 50 GJAA O=C(CSC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)O 1109614 DBWHPNZJESBDBN-UHFFFAOYSA-N 391.448 4.952 0 50 GJAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 1158384 HNBHGXHXOZJPIE-UHFFFAOYSA-N 391.298 4.793 0 50 GJAA COc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1179867 YLLRVAAABCQSTL-SOFGYWHQSA-N 381.284 4.528 0 50 GJAA CCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 2187908 GCYOEQVFAZJWRG-HHNLSAEISA-N 376.485 4.885 0 50 GJAA CCCCN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc(OCC)cc1 2595839 JCLKDFNBNRUZRQ-UHFFFAOYSA-N 387.501 4.823 0 50 GJAA O=C(C(=O)N1CCCc2ccccc21)c1c(-c2ccccc2)cc2ccccn12 2856352 FTRIMAMQYWSBBN-UHFFFAOYSA-N 380.447 4.768 0 50 GJAA Cc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)COC(C)(C)C4 2867412 QFFBOMDKDAETFL-UHFFFAOYSA-N 396.541 4.791 0 50 GJAA Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2\SC(=N)NC2=O)c1 5102492 RFSWXTAURMDKIP-MOSHPQCFSA-N 396.512 4.715 0 50 GJAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 7721291 RMXRIVRPORSMBD-UHFFFAOYSA-N 379.504 4.610 0 50 GJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCCc2ccccc2)C1 11874612 DEXLEDUENKTPCE-DEOSSOPVSA-N 392.587 4.731 0 50 GJAA Cc1ccc(C(=O)N(Cc2cccc(OC[C@@H]3CCCN(C)C3)c2)C2CC2)cc1 12156115 SOKYZAWZKDXTMA-OAQYLSRUSA-N 392.543 4.520 0 50 GJAA COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 13896328 ZPFQLXBPMQZWRJ-SXGWCWSVSA-N 377.824 4.724 0 50 GJAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 19148823 QTGJQACUFHXDGM-UHFFFAOYSA-N 384.483 4.886 0 50 GJAA O=C(c1ccc(NCc2ccco2)nc1)N1CCC[C@H](c2ccccc2)CC1 67755581 AHJOYUZYYWNNDP-IBGZPJMESA-N 375.472 4.697 0 50 GJAA Cc1ccc(-c2csc(NC(=O)c3ccncc3Br)n2)c(C)c1 153496830 KSUFJQPVSPSSEC-UHFFFAOYSA-N 388.290 4.837 0 50 GJAA Cc1ncsc1-c1nc(CSc2ncc(C(F)(F)F)cc2Cl)no1 156441911 JYDVXHVAGZXSTB-UHFFFAOYSA-N 392.815 4.861 0 50 GJAA O=C(O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 239347259 MOGDSIWEUDLNRF-MESAYYPLSA-N 386.447 4.628 0 50 GJAA FC(F)Oc1cc(OC(F)(F)F)c(Br)cc1Br 263624188 ODTFLXJWFWAYOV-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA Cc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2ccccc2)n1 1506397262 RBXCIIAIUYEOGL-GOSISDBHSA-N 398.466 4.613 0 50 GJAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 1875256783 RIPYJDFQULTDMT-VIFPVBQESA-N 379.769 4.638 0 50 GJAA Oc1nc(SC[C@@H](O)Cc2ccccc2)nc2scc(-c3ccccc3)c12 2325711822 JQESHHYLHXBTBX-INIZCTEOSA-N 394.521 4.760 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Sc1ccccc1)c1ccccc1 689345 QYCATRKWLZNVGZ-NRFANRHFSA-N 377.465 4.930 0 50 GJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 851919 WTNAYWVQOBJJQW-UHFFFAOYSA-N 388.448 4.987 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(C)c1 1108902 POWNXYFJMWNUBR-AWEZNQCLSA-N 384.545 4.867 0 50 GJAA O=C(O)C1[C@@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 2970517 MOGDSIWEUDLNRF-KBFCKHRLSA-N 386.447 4.628 0 50 GJAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 4133542 ICEKADLMYDOOAN-IGGJQXEISA-N 397.302 4.695 0 50 GJAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C2CCCC2)CC1 11878868 LLUKEHYWCHCWNP-UHFFFAOYSA-N 383.454 4.836 0 50 GJAA COCC1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 12073115 QKKVEVKFDRXNIN-UHFFFAOYSA-N 393.506 4.845 0 50 GJAA c1ccc(C(c2ccccc2)c2noc3c2CN(Cc2ccncc2)CC3)cc1 15065841 TUQNHEJHLAYPJB-UHFFFAOYSA-N 381.479 4.808 0 50 GJAA Cc1nc(CCNC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)sc1C 55393343 PZBXCCYPOISITO-FQEVSTJZSA-N 382.504 4.780 0 50 GJAA COCc1nn2c(-c3ccc(OC)cc3)ccnc2c1-c1ccc(Cl)cc1 72115978 TUDNROMMOTWGPW-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA O=C(CC[C@@H]1CCCN(c2nccs2)C1)Nc1ccc(C(F)(F)F)cc1 95524090 HTDYAUALKFSIGM-ZDUSSCGKSA-N 383.439 4.797 0 50 GJAA O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](C1CCCCC1)Nc1ccccc1-2 170614808 PSLCUHUQSLPFRS-FQEVSTJZSA-N 376.435 4.616 0 50 GJAA Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cnc4onc(C)c4c3)s2)cc1 170623100 SMFYKPSNLHFRFJ-CYBMUJFWSA-N 392.484 4.763 0 50 GJAA C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 241644374 PQGBIFMTTCGWLW-IERDGZPVSA-N 390.483 4.738 0 50 GJAA F[C@H]1C[C@H]1c1nc(-c2ccccc2Cl)nn1-c1ccnc(C(F)(F)F)c1 1875347159 JIEMGAGXFSHCQP-YPMHNXCESA-N 382.748 4.827 0 50 GJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1noc(-c2ccccc2)n1 2325852420 DYHDREITWRYOEM-UHFFFAOYSA-N 384.391 4.922 0 50 GJAA COc1ccc([C@@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 662460 ANHWSKCBERYBNG-HSZRJFAPSA-N 394.492 4.792 0 50 GJAA COC(=O)Cn1c2c(c3cc(C)ccc31)CCC[C@H]2N[C@@H](C)c1ccccc1 978478 IPVYABONDHEMAS-LAUBAEHRSA-N 376.500 4.851 0 50 GJAA CCOc1cccc(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)c1 1187799 DUGHBHJQKNUZAO-UHFFFAOYSA-N 399.443 4.992 0 50 GJAA Cc1ccc(Cn2/c(=N/C(=O)c3ccc(Cl)cc3)[nH]c3ccccc32)cc1 1208836 VUXRDJVCYPQEJF-UHFFFAOYSA-N 375.859 4.721 0 50 GJAA S=C(NCc1ccc(Cl)cc1)Nc1cccc(Cn2cc(Cl)cn2)c1 2851696 UDBONKWJBBLBBU-UHFFFAOYSA-N 391.327 4.725 0 50 GJAA COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5611815 DZKNTBXSTVCOGQ-KNQAVFIVSA-N 391.858 4.986 0 50 GJAA CCOc1ccc(Nc2cc(C)nc3nc(Cc4ccc(Cl)cc4)nn23)cc1 6766000 DDDGSDDJMFMHOV-UHFFFAOYSA-N 393.878 4.819 0 50 GJAA O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@@H]1C[C@@H]2C=C[C@H]1C2 12000260 FBKHDHFXFPTYQU-XLQHLMKVSA-N 385.916 4.700 0 50 GJAA COc1ccc(CNc2nc(C)c(-c3ccn(Cc4ccccc4)n3)s2)cc1 12134442 PBAIRFLHRUVLIK-UHFFFAOYSA-N 390.512 4.984 0 50 GJAA CC[C@@H](C)N(Cc1ccc(C)cc1)Cc1c(C)n(C)n(-c2ccccc2)c1=O 55108877 YBTRLDLFFTWJMV-LJQANCHMSA-N 377.532 4.594 0 50 GJAA Fc1ccccc1N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 55292401 DAQYNCMTJXJGGY-UHFFFAOYSA-N 376.475 4.727 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 71758265 XWJTYEGVQBFZHI-AUCRUKNYSA-N 390.564 4.542 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C4CCCC4)C3)cc2)c1 95507896 WIZHQKXVUXHZEZ-HXUWFJFHSA-N 378.516 4.955 0 50 GJAA Cc1nc(SCc2cc(-c3cnn(C)c3C)no2)n(C2CCCCC2)c1C 185331628 QXSBMCCZYDSWLA-UHFFFAOYSA-N 385.537 4.994 0 50 GJAA CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2C1 225531211 CBELIOVTXIMQTN-UHFFFAOYSA-N 385.316 4.518 0 50 GJAA CCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC 239297074 DRYQTNXMKBICIH-JEUYTTLUSA-N 393.615 6.826 0 50 GJAA COC1(c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)CC(C(=O)O)C1 952876820 YEWCTZUXYRBJEZ-UHFFFAOYSA-N 393.439 4.565 0 50 GJAA O=C(C[C@@H]1CCNC[C@@H]1F)NCc1ccccc1-c1ccc(Cl)cc1Cl 952964425 ZNZVZPWDFTUUPE-DJJJIMSYSA-N 395.305 4.614 0 50 GJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)/N=c2/[nH]c3ccccc3s2)cc1 1262358 VCBZJAAOTYPFEA-UHFFFAOYSA-N 387.464 4.531 0 50 GJAA O=C(NC1CCCCC1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 2303587 YACBSSHPBCBCQZ-UHFFFAOYSA-N 394.422 4.539 0 50 GJAA COC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2310676 JHECYDZWEHWATR-UHFFFAOYSA-N 382.243 4.578 0 50 GJAA Cc1ccc(OCCSCc2nnc(NC(=O)C3CCCCC3)s2)cc1 2845260 YGXQNKZITCQLQO-UHFFFAOYSA-N 391.562 4.678 0 50 GJAA COc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O 12760689 WUHQSRGZTJGPOX-LBPRGKRZSA-N 389.858 4.538 0 50 GJAA Cc1c(C(=O)N(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12 14988802 FDIXMIXBYULITJ-UHFFFAOYSA-N 382.514 4.528 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC(OCc2ccccn2)CC1 15061799 XOIBBDNOQAVZSV-UHFFFAOYSA-N 399.441 4.504 0 50 GJAA Cc1ccccc1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28289656 VXFLXJNXJUCACO-UHFFFAOYSA-N 384.838 4.795 0 50 GJAA Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)c2cc1Cl 28290063 CSUKPVYHAQFRNK-LLVKDONJSA-N 384.819 4.675 0 50 GJAA O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CCC(c2ccsc2)CC1 187813184 FXDAUDNBCCUSCZ-UHFFFAOYSA-N 398.509 4.620 0 50 GJAA CC(C)Oc1cccc([C@H](Nc2cnn(-c3ncccc3F)c2)C(F)F)c1 225411449 YFWZAYJRLCSFSM-KRWDZBQOSA-N 376.382 4.612 0 50 GJAA COc1cccc(F)c1-c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 225479398 DEVUCTKMXCJHNS-UHFFFAOYSA-N 381.338 4.878 0 50 GJAA CCOc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 239412442 SRRCRVCMDTXHRV-VWNXMTODSA-N 388.442 5.467 0 50 GJAA CCc1c(OCC(=O)Nc2cccc3ccccc23)c(=O)ccn1CCC(C)C 263587873 MDLYSJYBURCBFS-UHFFFAOYSA-N 392.499 4.628 0 50 GJAA CCc1nc2cc(NC(=O)c3[nH]c4ccc(OC)cc4c3C)ccc2n1CC 824757905 VWFVYSSJJUCADJ-UHFFFAOYSA-N 376.460 4.669 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccc2Cl)C[C@H](C(C)C)O1 1857710171 KHJJCSIYQLSJFR-YLJYHZDGSA-N 389.927 4.582 0 50 GJAA Cc1cc(C(=O)O[C@@H](CN(C)Cc2ccccc2)C2CC2)nn1C1CCCCC1 1875357666 QHAKGMVAXAQZER-QHCPKHFHSA-N 395.547 4.764 0 50 GJAA Cc1cccc([C@H](C)NC[C@H](CO)Cc2cccc(Br)c2C)c1C 2325842275 SVZZYJOXUSBEGA-ZWKOTPCHSA-N 390.365 4.876 0 50 GJAA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4F)c23)C1 955533 PYHJHXGKYLFCHT-LLVKDONJSA-N 387.505 4.686 0 50 GJAA O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccco1)CCC3 1058973 SFPILRQGWCSWJO-UHFFFAOYSA-N 394.521 4.880 0 50 GJAA Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)c1C 1131991 QFNJISORJGOOHQ-UHFFFAOYSA-N 378.501 4.804 0 50 GJAA S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 1144316 HETAPIPJKSYOBH-UHFFFAOYSA-N 378.453 4.694 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C)C2 1211773 PHCIOXNZDYMXSV-CYBMUJFWSA-N 388.508 4.746 0 50 GJAA Cc1cc(CNC(=O)COc2ccc(Cl)c(Cl)c2)c2ccccc2n1 1423789 BVFFZNYGLOQXSI-UHFFFAOYSA-N 375.255 4.545 0 50 GJAA Cc1ccc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1 4842876 NITAXQZKKLQBCX-UHFFFAOYSA-N 399.450 4.829 0 50 GJAA CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4912793 KXVMBGOTRWGFNM-QGZVFWFLSA-N 383.488 4.837 0 50 GJAA O=P(Oc1ccccc1Cl)(Oc1ccccc1Cl)N1CCOCC1 5717593 GSYKZWIFLOZSDK-UHFFFAOYSA-N 388.187 4.892 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccccc1 6145359 ZJTZSAWJGKHLGN-UHFFFAOYSA-N 396.537 4.731 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1CCCC(F)(F)F 12307469 JXJNNFVQWIELFE-KRWDZBQOSA-N 393.409 4.619 0 50 GJAA O=C(c1cccc(OC2CCN(C3CCCC3)CC2)c1)N1CCCCCCC1 12443610 HKSZASQBLRBSTM-UHFFFAOYSA-N 384.564 4.879 0 50 GJAA CCC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 13746142 JOHUICMYEVLCTE-SXYIGIQMSA-N 384.520 4.980 0 50 GJAA O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13846825 MXRXDRZOWNMNPP-NHCUHLMSSA-N 399.446 4.739 0 50 GJAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3C)c2)cc1 17078355 WYQBSZUHYQDTME-MRXNPFEDSA-N 383.517 4.554 0 50 GJAA COc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1O 22078012 NRYRZMSEIXKEEC-NRFANRHFSA-N 376.500 4.947 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(Cc4ccon4)C3)c2)c1 23542356 SKWVGHNYHYLSOO-FQEVSTJZSA-N 375.472 4.501 0 50 GJAA Clc1c(CN2CCCC2)cccc1OCc1nc(-c2cccs2)no1 72161986 YPPRRPUFAXETGA-UHFFFAOYSA-N 375.881 4.626 0 50 GJAA C[S@](=O)c1ccc(NC(=O)CCCc2csc3ccccc23)cc1F 119241560 AAWYALLJXFTVPE-RUZDIDTESA-N 375.490 4.739 0 50 GJAA O=[S@](Cc1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1)c1ccccc1 170600331 RBIGXUNXYQFHTJ-MUUNZHRXSA-N 387.508 4.997 0 50 GJAA Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1N1CCOC1=O 174940857 KPMMYVMFUPRFKR-HXUWFJFHSA-N 397.450 4.754 0 50 GJAA Fc1ccc([C@H]2CN(Cc3cccc(OCc4ccccn4)c3)CCO2)c(F)c1 190132634 OKNZFFFUFHZGBV-HSZRJFAPSA-N 396.437 4.512 0 50 GJAA CC[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)CCO1 1875258652 NWDLCGOFEMASRS-JFIYKMOQSA-N 386.467 4.786 0 50 GJAA N[C@H](CCNC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)Cc1ccccc1 2325866410 JWFQMMMLCXOULC-CEMLEFRQSA-N 399.966 4.626 0 50 GJAA CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 942431 IYMIMBOJCYMCEJ-ZRDIBKRKSA-N 380.469 4.869 0 50 GJAA Cc1cc(CNC(=O)COc2cc(Cl)ccc2Cl)c2ccccc2n1 1422059 RQNDOIDDJKFIHC-UHFFFAOYSA-N 375.255 4.545 0 50 GJAA COc1ccc(OC)c([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 2857579 RIVQEEFOLKYATR-NSHDSACASA-N 384.423 4.770 0 50 GJAA COC(=O)c1c(NC(=S)NCCC2=CCCCC2)sc2c1CC[C@H](C)C2 2857762 VWJWAQBMBAJNEE-ZDUSSCGKSA-N 392.590 4.836 0 50 GJAA CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4581140 BGCZNYOUKVKODC-HXUWFJFHSA-N 383.488 4.717 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1 4844884 QMKPFUCPANRDHL-XAYJBEQZSA-N 382.463 4.804 0 50 GJAA aggregator Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 8022504 BVPGJPHRHXZCEF-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1C 11760330 NCVVSRNYOALEEL-LJQANCHMSA-N 390.483 4.528 0 50 GJAA CC(C)[C@H](O)c1ccc2c(c1)CN(Cc1cnc(-c3ccccc3)s1)CCO2 55073576 UUMUFBCLGASFOD-QFIPXVFZSA-N 394.540 4.894 0 50 GJAA Cc1nc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cs1 67866876 CEFCQLBYYPXEGE-UHFFFAOYSA-N 386.904 4.872 0 50 GJAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 96822478 DNNCFMOWYWOBDJ-IFMALSPDSA-N 382.891 4.592 0 50 GJAA CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@H]1C 239222111 UJRIBUDZMNUBLS-BMZZKGLRSA-N 383.532 5.037 0 50 GJAA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239412545 SVBDUOMXSTZOEP-DBBHOVQTSA-N 399.446 4.768 0 50 GJAA O=C1C[C@@H](c2ccco2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc23)O1 253414989 ZHQUPXUOCDDBEC-HNNXBMFYSA-N 376.339 4.633 0 50 GJAA biogenic O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1sc2ccccc2c1Cl 777776089 PMNMPCVNVLXCDC-UHFFFAOYSA-N 386.839 4.655 0 50 GJAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(N3CCCC3)c(Cl)c2)c(C)s1 1506341799 STSVEGWPYNQEID-GFCCVEGCSA-N 377.941 4.847 0 50 GJAA CCOc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(OCC)cc1C 1875323116 XXRQOYZMDLTGEP-UHFFFAOYSA-N 383.897 4.555 0 50 GJAA NC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2 656860 YPUMJSFWUGEOFL-VAWYXSNFSA-N 388.920 4.811 0 50 GJAA O=C(Cc1ccccc1)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 832361 JLIYFMFCJPPLLS-HNNXBMFYSA-N 393.097 4.774 0 50 GJAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccc1Br 2764205 WSHINXGPIORYDA-UHFFFAOYSA-N 384.277 4.563 0 50 GJAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1Br 2878928 MHIXXOCRWPTCHJ-UHFFFAOYSA-N 399.240 4.654 0 50 GJAA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccco1 4082378 OWBVACWGHMTJKM-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA Cc1ccc(C[C@@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@H](C)C(=O)O)cc1 4698217 DPGYGRXEBIESJS-JVJUCQNHSA-N 397.559 4.597 0 50 GJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)c4sccc4C)C3)ccc2c1 11713074 LNLAWVDDMHSPCT-LJQANCHMSA-N 393.508 4.953 0 50 GJAA COC(=O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 22063925 FSUWVSSCCGVYLS-UHFFFAOYSA-N 396.490 4.829 0 50 GJAA in-vitro COc1ccc([C@@H](CC(=O)N(C)Cc2cnc3ccccn23)c2ccccc2)cc1 39442129 YYMGTIUFOHFDFQ-QHCPKHFHSA-N 399.494 4.524 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71746523 FYRZJTPWMCJRGJ-QGZVFWFLSA-N 378.447 4.565 0 50 GJAA O=C(c1cccnc1N1CCC[C@@H](CCc2ccccc2)C1)N1CCCCC1 72432828 ZZSPISZJWQOOMC-NRFANRHFSA-N 377.532 4.557 0 50 GJAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2ccncc2Cl)C1 95504586 WOQOHWCYZSEWCS-MRXNPFEDSA-N 389.902 4.813 0 50 GJAA CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Br)cc2)c(C)n1O 136089044 DXEXFSCPNSTSMC-UHFFFAOYSA-N 386.269 4.607 0 50 GJAA O=C(O)C[C@@H]1CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 165648246 NMYXZSXIIHSPJJ-BTYIYWSLSA-N 379.456 4.559 0 50 GJAA O=C1C[C@@H](c2noc(CCCc3ccccc3)n2)CN1c1ccc(F)c(Cl)c1 169759506 SNWGHRWAIXKANK-OAHLLOKOSA-N 399.853 4.558 0 50 GJAA C[C@H](NCCc1ccccc1OC(F)F)c1ccc2c(c1)COC(C)(C)O2 225412417 HXJNQSMBVBXYDB-AWEZNQCLSA-N 377.431 4.826 0 50 GJAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C 239433388 XPNCKFMJHYMAMG-NGAPOUCOSA-N 391.511 5.841 0 50 GJAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1-n1cccc1 426407538 LVZDUDYHEKZMIR-GOSISDBHSA-N 380.448 4.541 0 50 GJAA CC(C)c1nc(CCNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cs1 534577679 ZTNGQNIBPDEBSR-UHFFFAOYSA-N 395.931 4.976 0 50 GJAA CC1=CC2(CCN(Cc3c(-c4ccc(F)cc4)nc4ccccn34)CC2)OCC1 1704302573 AOFNLWDKWYVVLN-UHFFFAOYSA-N 391.490 4.842 0 50 GJAA CCN(C[C@H](C)O)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 2325721754 PMBDBJQEZAOATH-HNNXBMFYSA-N 390.512 4.627 0 50 GJAA O=Cc1cn(CC(=O)Nc2ccccc2Cl)c2ccc(Br)cc12 1130925 UQIZYMFWWAUXNE-UHFFFAOYSA-N 391.652 4.508 0 50 GJAA O=C(c1ccc(Cl)cc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1 1399992 JESJJHJNIOQXKN-UHFFFAOYSA-N 384.888 4.531 0 50 GJAA S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 2841945 GGFHUBKRDPAJCU-UHFFFAOYSA-N 388.540 4.949 0 50 GJAA CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)c(C)c1 2856791 SSQKSGROMJFAJP-UHFFFAOYSA-N 391.309 4.865 0 50 GJAA Cc1cc(=O)oc2cc(NC(=S)N3CCC(Cc4ccccc4)CC3)ccc12 2858326 JJBUSWPEJBRHFI-UHFFFAOYSA-N 392.524 4.753 0 50 GJAA CCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 2865871 HBSYFPYEPLNXRI-UHFFFAOYSA-N 388.895 4.608 0 50 GJAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C2CCCCC2)CC1 12024504 FMBGFXKJCWQMJK-UHFFFAOYSA-N 394.563 4.814 0 50 GJAA COc1cc(CN2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)ccc1F 12151547 XKCKXZUPNAGUSO-UHFFFAOYSA-N 379.479 4.912 0 50 GJAA CC[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 13330165 UOTADVLIAUOWAA-NSHDSACASA-N 394.743 4.594 0 50 GJAA O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)cc1 13477009 AQXOFFMYUJJEMD-LDADJPATSA-N 391.404 4.886 0 50 GJAA CCc1ncc(-c2cc(C(=O)N(CC)C(C)C)c3c(C)cc(C)cc3n2)cn1 63835715 KCSGLYBRVZYJAV-UHFFFAOYSA-N 376.504 4.742 0 50 GJAA Cc1cc(C)nc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 67966328 QQISMGHWWSZMQP-UHFFFAOYSA-N 395.890 4.514 0 50 GJAA Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)c1 107044612 RNEOHPXZDNSDSS-GHKMMJKMSA-N 399.534 4.978 0 50 GJAA C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 122326980 UDIOIHXCIPIDDH-DNVCBOLYSA-N 394.496 4.613 0 50 GJAA O=C(c1ccccc1NCc1ncc(-c2ccccc2F)o1)N1CCCCC1 174299171 KFIWOWYSPKZEGK-UHFFFAOYSA-N 379.435 4.719 0 50 GJAA C[Si](C)(C)[C@@]12C=C3[C@H]4CC[C@@H](C4)[C@@]3(C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 257358647 VPXSYYLHICRJTC-VOPSZBSWSA-N 377.560 4.631 0 50 GJAA COc1ccccc1N1CC[C@@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 482118496 IBAJPOZWUWYYTM-UXHICEINSA-N 387.527 4.934 0 50 GJAA COc1ccc(NC2(C(=O)N3CCC[C@@H]3c3ccccn3)CCCCC2)cc1 952968852 DWFNEPGSHQYFIP-OAQYLSRUSA-N 379.504 4.569 0 50 GJAA CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 1848443759 YSKYSQZEVNUXOX-DIPHUWLNSA-N 386.532 4.957 0 50 GJAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]nc3C3CCOCC3)c2)C1 1875266346 JYCQJCHBPRZXAX-OXQOHEQNSA-N 397.519 4.651 0 50 GJAA O=C(c1cncc2ccc(F)cc12)N1CCCO[C@H](c2ccccc2Cl)C1 2325863947 AUSKUVJVCNZNEK-FQEVSTJZSA-N 384.838 4.631 0 50 GJAA O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1ccco1 631496 ROSIOVJMTFPOKI-GOSISDBHSA-N 389.238 4.637 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 757943 VICXDBVPZWFADX-MRXNPFEDSA-N 385.291 4.601 0 50 GJAA O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 851322 AYPRFCWNCPEEEI-JWGURIENSA-N 391.430 4.884 0 50 GJAA CCOc1ccccc1C(=O)Nc1nnc(SCc2ccccc2C)s1 1079487 HDPSAMYDHRCIMB-UHFFFAOYSA-N 385.514 4.790 0 50 GJAA CC1(C)C[C@@H]([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 1175602 VFBYROKFRKGQQU-OALUTQOASA-N 377.484 4.662 0 50 GJAA COC(=O)c1ccccc1SCC(=O)c1sc(-c2ccccc2)nc1C 1390118 RTGUDOPWLXZOAO-UHFFFAOYSA-N 383.494 4.880 0 50 GJAA O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cc(-c2ccccc2)on1 2795497 VZGKLDQGHNIEBO-UHFFFAOYSA-N 396.809 4.631 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=O)COc2cccc3ccccc23)c1 2832663 XFVFQHOENHCAIK-UHFFFAOYSA-N 376.456 4.986 0 50 GJAA COc1cccc(OC)c1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 5077822 WITXCMLSLYVUED-OAQYLSRUSA-N 381.859 4.877 0 50 GJAA CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1 11933087 OGSLDMDHIMEOPQ-UHFFFAOYSA-N 382.552 4.828 0 50 GJAA CCc1nc(C)c(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)[nH]1 12300762 UUOLLMFJTAWQPY-LJQANCHMSA-N 387.527 4.627 0 50 GJAA Cc1occc1C(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12307755 WQCDWBKBEGPIJT-OAQYLSRUSA-N 395.547 4.670 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCC(C)C)C3)s1 12329156 XRAXCGGNYAJMJX-MRXNPFEDSA-N 389.492 4.613 0 50 GJAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)no1 12573912 VWVLVTUFFFGJEU-FQEVSTJZSA-N 390.483 4.890 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1 14948074 QYXPDXICGGEYPI-SFHVURJKSA-N 391.467 4.793 0 50 GJAA C[C@H]1CCCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 15659200 UHSNXGHTSUFAOZ-LMXQCQDWSA-N 383.576 4.626 0 50 GJAA CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=O)NC1=O 15800678 IPCAXYWQDGSHET-CPOQMQJTSA-N 397.496 4.982 0 50 GJAA O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)Nc1ccccc1F 17180039 VAEKCNZOFGIUPU-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C)s4)oc3C)CC2)cc1 19334936 KJWYCJJUQYSYJV-UHFFFAOYSA-N 395.528 4.545 0 50 GJAA CC[C@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(OC)c3)CC2)cc1 20363751 LSKSHUZXLJUOSF-SFHVURJKSA-N 397.588 4.723 0 50 GJAA c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3ccn[nH]3)C2)cc1 20455149 OPAXHCFSELFXJI-HXUWFJFHSA-N 383.499 4.642 0 50 GJAA COC(=O)c1ccc(COc2ccc3c(-c4ccc(F)cc4)noc3c2)cc1 32101089 ANLBKBDQIDZGSK-UHFFFAOYSA-N 377.371 5.000 0 50 GJAA O=C(CCc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 55531567 TXYUTXIEFYDXAB-UHFFFAOYSA-N 399.538 4.580 0 50 GJAA COc1ccc([C@@H]2N=C(c3ccc(C)cc3)[C@@H]3[C@H](c4ccccc4)N23)cc1OC 230038622 LYAALMLMHYRNEQ-MFNPRMOXSA-N 384.479 4.939 0 50 GJAA Cc1ccccc1-c1ccc(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 952968477 MWAXZTDKDIFUBQ-IBGZPJMESA-N 390.527 4.525 0 50 GJAA CO[C@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1312093660 RPRCSDKAWJAGGN-ZWKOTPCHSA-N 379.287 4.838 0 50 GJAA Cc1ccc([C@H]2CNC[C@H]2C(=O)Nc2cccc(-c3ccncc3)c2)c(Cl)c1 2325839676 AXAIJIVRMXTORE-NHCUHLMSSA-N 391.902 4.652 0 50 GJAA O=C(Nc1cscc1Br)c1ccnc(SCC(F)(F)F)c1 2325876210 NBBYOPNZZSTDBE-UHFFFAOYSA-N 397.241 4.812 0 50 GJAA CCCOc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)cc1 2088215 URMGYZUGWZQGCS-LJQANCHMSA-N 390.483 4.599 0 50 GJAA CC[C@H](NC(=O)CSc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 4171370 DIVWWXLTYOBLAJ-NAVXVDNBSA-N 383.561 4.766 0 50 GJAA O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 4695766 HMSKCPQZCPNPSC-UHFFFAOYSA-N 394.814 4.543 0 50 GJAA CCOC(=O)C(CCCCOc1cc(C)ccc1C(C)(C)C)C(=O)OCC 4845215 OGYMCADRQGVALV-UHFFFAOYSA-N 378.509 4.584 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C(F)(F)F 4916837 FTRKOLQLUNJQFB-HNNXBMFYSA-N 383.410 4.562 0 50 GJAA COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br 4985536 BJANFMIYLXRNKQ-UHFFFAOYSA-N 376.269 4.886 0 50 GJAA C[C@H](O)/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 6019913 BPHFBQJMFWCHGH-DDJBQFQUSA-N 387.523 4.967 0 50 GJAA world CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)CC2=CCCCC2)CC1 11713131 LRJZOQQOZBHBTC-UHFFFAOYSA-N 399.531 4.518 0 50 GJAA Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 11753990 ANZPQGUDKSMGEM-QFIPXVFZSA-N 386.923 4.806 0 50 GJAA Cc1cccc(-n2cc(CN(C)Cc3cc(C)no3)c(-c3cccc(F)c3)n2)c1 14971152 UZHWIUIZXKQJDZ-UHFFFAOYSA-N 390.462 4.915 0 50 GJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1 16214264 ZPIJKQJRJCEDBU-YPKPFQOOSA-N 385.492 4.930 0 50 GJAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2ccccc2OC)c(F)c1 20515250 QRQCJGLKYYSVLA-FQEVSTJZSA-N 381.451 4.570 0 50 GJAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)cc1 36620863 ZUPGHKQZZGBRHD-QGZVFWFLSA-N 393.256 4.966 0 50 GJAA CO[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1)c1cccs1 65396294 UMVDNWGNIAYMOG-SFHVURJKSA-N 380.469 4.752 0 50 GJAA COc1cc2nc(N3Cc4cnc(-c5ccccc5)nc4C3)cc(C)c2cc1OC 67540742 MUMXMHXCNZVBGP-UHFFFAOYSA-N 398.466 4.538 0 50 GJAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)on1 72168328 IJLUHYFWVNQROD-HXUWFJFHSA-N 390.483 4.761 0 50 GJAA CC[C@H]1CN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 72411688 KEMWOKLUGFSQGX-QFIPXVFZSA-N 379.479 4.598 0 50 GJAA COCCN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CCSCC1 241961405 USFPQHVJKVQVLG-UHFFFAOYSA-N 382.982 4.808 0 50 GJAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 287640536 GFNHONXQWQEBLW-CYBMUJFWSA-N 398.482 4.605 0 50 GJAA Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccccc3)C(=O)O2)c1 1082859 KSNHYMZMRLYRNB-HMMYKYKNSA-N 383.403 4.559 0 50 GJAA O=C(Nc1ccc(Br)cc1)c1cccc(Cc2ccccc2)c1O 2506198 ROLPBVPXOBJVKV-UHFFFAOYSA-N 382.257 4.998 0 50 GJAA O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1CCCC[C@H]1O 4800358 GHHDPVPWALEOEL-WOJBJXKFSA-N 376.389 4.848 0 50 GJAA O=C(NCc1ccncc1)c1sc2cc(Br)ccc2c1Cl 16603769 UUAHOFKPDSQQHQ-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)cc1 42453723 BHWAIPHVDDWOME-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA c1ccc(-c2ncn(Cc3ccno3)c2-c2ccc(Oc3ncccn3)cc2)cc1 65455581 LBISRZLDSGXRMB-UHFFFAOYSA-N 395.422 4.836 0 50 GJAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 91737039 OFSXYMRZYOHMLQ-IBGZPJMESA-N 377.463 4.729 0 50 GJAA CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccn1 225703270 VFEDEPNALGAISL-SFHVURJKSA-N 387.455 4.785 0 50 GJAA Cn1ncc(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1C(F)(F)F 455228062 UESFHLVILQAPDT-CYBMUJFWSA-N 390.768 4.504 0 50 GJAA O=C(c1ccccn1)[C@H]1CCCN(c2ccnc3c(C(F)(F)F)cccc23)C1 1704316261 LBJGIQPTTJVINI-AWEZNQCLSA-N 385.389 4.748 0 50 GJAA Cc1ccc(C)c(-c2nc(NC(=O)CCC(=O)NC3CCCC3)sc2C)c1 1940196208 RUVMZXNPCJCMIK-UHFFFAOYSA-N 385.533 4.513 0 50 GJAA CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 678851 ICRDEYDOMHJMQA-UHFFFAOYSA-N 389.908 4.514 0 50 GJAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 935587 AQIMMNZMZFNCNW-MRXNPFEDSA-N 375.424 4.531 0 50 GJAA CC(C)OC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 951930 BHKBOACOYSSQML-UHFFFAOYSA-N 386.249 4.701 0 50 GJAA Cc1ccc(CN2C(=O)[C@@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)cc1 1121026 PBAUOFOXSCMFQF-VWLOTQADSA-N 382.463 4.567 0 50 GJAA Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NC3CC3)c2c1 2867486 KYIKWXWREJRTRA-UHFFFAOYSA-N 381.273 4.865 0 50 GJAA O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1cc(Cl)ccc1Cl 6140600 FBBGTYUCOFKHSB-UHFFFAOYSA-N 388.659 4.963 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C[C@@H](C)O1 13957030 BPOHPHAZXZWCSR-HDICACEKSA-N 381.516 4.813 0 50 GJAA COc1ccc(CN(C)Cc2nc(-c3cccc(F)c3)oc2C)c2cccnc12 14957601 RMHGCKCMXFQXLB-UHFFFAOYSA-N 391.446 4.978 0 50 GJAA CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 55546486 GMAJBVYGGHKXNJ-UHFFFAOYSA-N 392.330 4.664 0 50 GJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 71422370 XHCTWYPJVGSJFK-SFHVURJKSA-N 389.499 4.576 0 50 GJAA Cc1nn(C)c(C)c1CCC(=O)Nc1cnn(-c2cccc(Cl)c2)c1C(C)C 252495035 OLKBBMQSOJRSRR-UHFFFAOYSA-N 399.926 4.571 0 50 GJAA Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C(C)(C)CN 430771151 BOHKNWUOGHULPP-UHFFFAOYSA-N 382.483 4.655 0 50 GJAA O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC(c2ccccc2)CC1 1875390218 NVRDSDZIUUDQQF-RUZDIDTESA-N 384.523 4.924 0 50 GJAA CS(=O)(=O)Nc1ccc(-c2csc(=Nc3ccc4ccccc4c3)[nH]2)cc1 2325824223 VEUFRQCTJCPZNN-UHFFFAOYSA-N 395.509 4.500 0 50 GJAA Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1C 628175 YMCOKERVXVNMCY-UHFFFAOYSA-N 376.485 4.539 0 50 GJAA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 844285 JBRFPOUVPQSPKR-NRFANRHFSA-N 392.455 4.593 0 50 GJAA COC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 1137701 NNZYYLZRPUQEDK-UHFFFAOYSA-N 384.284 4.652 0 50 GJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)o1 1210373 OAOMRVOPOQYYMV-UHFFFAOYSA-N 382.217 4.838 0 50 GJAA CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)Nc1ccccc1-2 2911533 ORDPNEDADAPPNE-GOSISDBHSA-N 380.473 4.552 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 4741617 JVBUOAWTOZQZLK-NRFANRHFSA-N 384.439 4.865 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@@H](C)c2ccc(C)cc2C)s1 6708552 GVLDEGDMQRGXAQ-ZDUSSCGKSA-N 376.547 4.762 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2ccco2)cc1 12029277 MPKPDTJMTWRHFJ-QFIPXVFZSA-N 376.456 4.558 0 50 GJAA COc1ccc(/C=C/CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1 12210113 PTOHLKZGNYWIPW-SNAWJCMRSA-N 385.935 4.679 0 50 GJAA CCCn1ncc(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)c1C 12373788 DAXANSSVTIUGEP-FQEVSTJZSA-N 375.516 4.850 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2cccc(-c3ccco3)c2)C1)c1cccs1 12716188 JKJQLBPZYVXYLP-SFHVURJKSA-N 380.513 4.650 0 50 GJAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1cccc2ncccc12 55133111 SIELFECYUGVSPK-UHFFFAOYSA-N 376.847 4.694 0 50 GJAA COc1c(C)cnc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1C 71759612 KWCHQIGBJVFXRJ-SFHVURJKSA-N 381.303 4.587 0 50 GJAA CCc1noc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3nccs3)c2)n1 96136618 OPHPEVPCLUAKMQ-OAHLLOKOSA-N 383.477 4.515 0 50 GJAA CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H](N)CO 214702150 CKNOUMOYIGNOBN-IJYFTVHFSA-N 377.569 4.995 0 50 GJAA O=C(Cn1ccc2ccccc21)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252479206 BAVOQCXAZBBXAU-QFIPXVFZSA-N 394.478 4.618 0 50 GJAA CCOc1c(Cl)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl 408261431 OTGRKHMJHQSBFS-XIKOKIGWSA-N 387.307 4.551 0 50 GJAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC([C@H](O)c2cccs2)CC1 1506410513 ULDXIEHNWMWFIR-FQEVSTJZSA-N 383.469 4.719 0 50 GJAA O=C(CCn1ccnc1-c1ccc2cc(Cl)ccc2n1)NC1CCCCC1 1857707154 GPMAVWMRHSAOHE-UHFFFAOYSA-N 382.895 4.591 0 50 GJAA C[C@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)c1ccc(N2CCCC2=O)cc1 1875256260 URVGMTGPBXOFND-HOTGVXAUSA-N 392.528 4.744 0 50 GJAA Cc1cnc(O)c(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 2325839055 HOIRAVYCLAGJMZ-UHFFFAOYSA-N 377.469 4.727 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2ccc(F)cc2)n1 2792443 BSJTVYGPCMKWEG-UHFFFAOYSA-N 387.867 4.975 0 50 GJAA O=C(COc1ccc(C2CCCCC2)cc1)NCCOc1ccccc1Cl 2814015 PFBBGSMNTUDIEY-UHFFFAOYSA-N 387.907 4.962 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)n1 11937858 NXBUMAUHKVHGEJ-HSZRJFAPSA-N 385.442 4.798 0 50 GJAA Cc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1C 12589158 KGMOSRBFNAUGMA-UHFFFAOYSA-N 392.543 4.583 0 50 GJAA Clc1cccc(N2CCN([C@@H]3CCCN(C/C=C/c4ccccc4)C3)CC2)c1 20535620 KJELEYDJTVWVCT-ZHMUPQBKSA-N 395.978 4.640 0 50 GJAA CCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c1N 25781877 QWMYCSUUXLAMDQ-UHFFFAOYSA-N 384.741 4.926 0 50 GJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2F)C3)cc1 55342829 ZUYXOFFKGOOUGX-UHFFFAOYSA-N 393.458 4.905 0 50 GJAA CC(C)c1csc(CN[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 67804740 JKSDMNFJGCZCID-KRWDZBQOSA-N 388.487 4.898 0 50 GJAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cc3ccccc3o2)nc1 67965116 JZJGLIDFGAWPOC-UHFFFAOYSA-N 388.471 4.635 0 50 GJAA C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118933603 CVNYHSDFZXHMMJ-DTSKHMJCSA-N 390.564 4.686 0 50 GJAA Cc1onc(-c2ccccn2)c1C(=O)NCC1(c2ccccc2Cl)CCC1 121302578 IDYBFMBAVGCQMM-UHFFFAOYSA-N 381.863 4.550 0 50 GJAA Cc1noc(COc2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2)n1 170626744 ZUZYQIVGKFSDLU-UHFFFAOYSA-N 397.500 4.930 0 50 GJAA Cn1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c2cc(F)ccc21 435579647 MDPBUWXOXUWXQD-UHFFFAOYSA-N 393.393 4.574 0 50 GJAA CC(C)Cc1noc([C@H]2CCCN(Cc3ccc(-c4ccccn4)cc3)C2)n1 952967728 CJPCJFBZOSXNLD-FQEVSTJZSA-N 376.504 4.710 0 50 GJAA Cc1cccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 1875334314 JJYFGARCSLYKCQ-QFUCXCTJSA-N 388.914 4.700 0 50 GJAA Cc1cc(C2CCN(C(=O)N[C@H](C)CC(F)F)CC2)ccc1Br 2325736621 SMNKSOWJVORBJO-GFCCVEGCSA-N 389.284 4.690 0 50 GJAA CCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 653193 ZYSJAXXSYCKZBP-UHFFFAOYSA-N 397.478 4.934 0 50 GJAA O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1 997394 PHNVUIOPEFCMNF-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 1080895 COLOXOVVOKQLDC-GVXSCFBNSA-N 384.431 4.629 0 50 GJAA Cc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Cl)cc1 1225501 LOQGSZZHLAASTB-UYRXBGFRSA-N 380.831 4.651 0 50 GJAA O=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 1231840 AICBLEYWJGXROF-UHFFFAOYSA-N 395.256 4.954 0 50 GJAA O=C(c1ccccc1F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1457109 BGVFBEHUAFLFEN-UHFFFAOYSA-N 389.470 4.614 0 50 GJAA O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 2387001 OTFVOIGWAZDVSI-LJQANCHMSA-N 393.464 4.803 0 50 GJAA in-vitro CCOC(=O)c1cc(C(=O)c2cccs2)n2cnc(-c3cccs3)cc12 2529477 WSCORRZFSJAAIB-UHFFFAOYSA-N 382.466 4.532 0 50 GJAA Cc1cc(C(=O)N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)no1 12297965 PWPPPHXMWXRHOD-UHFFFAOYSA-N 385.423 4.504 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc12 12507308 WGBUMOSOXHQVHO-LJQANCHMSA-N 376.475 4.621 0 50 GJAA O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 13961059 CWYCLSCOGMRKRA-AWEZNQCLSA-N 387.625 4.918 0 50 GJAA CCc1ccc2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N3CCCC3)c2c1 63857626 QATGUNPZSMELQN-UHFFFAOYSA-N 376.504 4.652 0 50 GJAA COc1cc(OC)c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1Br 100416680 NZPJPQOLZMOUMZ-KUHUBIRLSA-N 382.342 4.867 0 50 GJAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 101889611 SDCWCBCCXXJTKX-VMDGZTHMSA-N 396.874 4.518 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](CC)C2 239125137 JZDDWFWBEDLKSG-HOSILWTGSA-N 375.534 4.814 0 50 GJAA COCc1nc(N2Cc3ccccc3CO2)c2c(-c3ccccc3)csc2n1 253427203 KNPLVTVFWCCRQM-UHFFFAOYSA-N 389.480 4.957 0 50 GJAA O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC=C(c2cccnc2)CC1 375041315 PVVXKNTYSUWBBN-UHFFFAOYSA-N 391.858 4.852 0 50 GJAA CN(C)[C@@H]1CCCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 823662628 LVWIFTYOGSTZPY-QGZVFWFLSA-N 376.903 4.584 0 50 GJAA CO[C@@](C)(CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1F)c1ccccc1 1470221355 KBIXNTWZBPPHNG-UNMCSNQZSA-N 388.458 4.763 0 50 GJAA O=C(COc1cccc(Cl)c1)Nc1ccc(C(=O)OC2CCCCC2)cc1 629894 BUPSFDMTQAFXMK-UHFFFAOYSA-N 387.863 4.847 0 50 GJAA COc1cc(C2=C3C(=O)OC[C@H]3Cc3ccccc32)ccc1OCc1ccccc1 639948 MQYLLYFGMUKMOX-HXUWFJFHSA-N 398.458 4.805 0 50 GJAA CCOc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)cc1 1188891 KZRHIIXLKDBPSH-UHFFFAOYSA-N 396.468 4.733 0 50 GJAA O=C1NC(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)S1 2999170 VQECXPFFIAFNRX-OVCLIPMQSA-N 380.252 4.896 0 50 GJAA COc1cc2c(cc1NC(=O)COc1ccccc1OC)oc1ccccc12 3383384 QROJKAQRBGXZJF-UHFFFAOYSA-N 377.396 4.621 0 50 GJAA O=C(CC[C@@H]1CCCN(C(=O)C2=CCCC2)C1)Nc1ccc(C(F)(F)F)cc1 11842096 UGLFEHGWEBYBJK-HNNXBMFYSA-N 394.437 4.773 0 50 GJAA Clc1cccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 101078574 YUMYKLTUPYBVFG-HNNXBMFYSA-N 378.650 4.689 0 50 GJAA O=C1[C@H]2[C@H]3C(=Cc4ccccc4)[C@@H](C4=C3[C@H]3CC[C@H]4C3)[C@@H]2C(=O)N1c1ccccc1 101081005 YKBNKOXFMDINAJ-JSCWTLJASA-N 393.486 4.862 0 50 GJAA O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N(c1ccccn1)C1CCCC1 154727252 SQNKYVPFWLPWIZ-UHFFFAOYSA-N 393.468 4.523 0 50 GJAA Cc1ccc(NC2CCN(C)CC2)cc1NC(=O)Cc1cccc2ccccc12 170607747 QMVSBNAWAYPPRV-UHFFFAOYSA-N 387.527 4.836 0 50 GJAA Cc1ccccc1-n1ncc(NC(=O)NC2CCN(C(C)(C)C)CC2)c1C(C)C 241132935 JNHRQJIBYPAMRA-UHFFFAOYSA-N 397.567 4.689 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 253498896 CVNYHSDFZXHMMJ-BHTBHJQUSA-N 390.564 4.686 0 50 GJAA COC(=O)[C@@]1(Cc2ccccc2)[C@@H]2[C@@H]3[C@H]4[C@H]5C(=C6CC[C@@H]7[C@H]6[C@@H]5[C@H]3[C@@H]71)[C@@H]1CC[C@@H]2[C@H]41 257358261 SMXBRNWVWVAOTE-FLJJIJKISA-N 398.546 4.749 0 50 GJAA O=C(NCc1cnc(O)c2ccccc12)N1CC2(CC=CC2)[C@@H]1c1ccccc1 924821975 UBNROXQETPKCQA-NRFANRHFSA-N 385.467 4.543 0 50 GJAA CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1ccc2nnc(C(C)(C)C)n2c1 2325738962 JBUKGMWWTMTQBI-PMACEKPBSA-N 390.531 4.744 0 50 GJAA O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)c1ccc(CC2CC2)s1 2325853375 NYDREFIFMAOHEZ-FQEVSTJZSA-N 397.540 4.528 0 50 GJAA COC(=O)c1ccc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 1155869 ZGSGWYWGCTXTHP-UHFFFAOYSA-N 382.412 4.672 0 50 GJAA biogenic COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccccc2s1 2958863 GCOXYAXKRDWHSS-RMKNXTFCSA-N 389.274 4.719 0 50 GJAA O=C(O)C1[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@H]1c1ccccc1 2970515 MOGDSIWEUDLNRF-SIYKVTCMSA-N 386.447 4.628 0 50 GJAA Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3cccc(C(F)(F)F)c3)c1CO2 8588617 DSOJDRGNOIWLDV-UHFFFAOYSA-N 388.345 4.838 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1 12590468 NSOLNPZTHBMFJK-HXUWFJFHSA-N 394.515 4.585 0 50 GJAA C/C(=C\COc1c2c(cc3oc(=O)ccc13)OCC=C2)CC[C@H](O)C(C)(C)C 27646535 VDZZXXJFQJNSPL-RNTFSAEZSA-N 384.472 4.711 0 50 GJAA in-vitro CCN(CC)C(=O)c1c(C)c(-c2cnn(C(C)(C)C)c2)nc2ccc(C)cc12 63855273 HWMCZOLXFKVULA-UHFFFAOYSA-N 378.520 4.952 0 50 GJAA COc1ccc(F)c(F)c1-c1c(-c2ccccc2)ncn1CC[C@@H]1CCCN1C 65383759 HOEOGEKOAZIBPU-KRWDZBQOSA-N 397.469 4.988 0 50 GJAA O=C(CC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 95630234 HOVMFCOUXZBNBX-UHFFFAOYSA-N 382.051 4.667 0 50 GJAA CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccccc3Cn3cncn3)ccc21 170625483 WCOUAKGWRYOJNI-UHFFFAOYSA-N 388.515 4.928 0 50 GJAA O=C(Nc1ncc(Cc2ccccc2)s1)N(Cc1ccco1)C[C@@H]1CCCO1 193598307 XJTUSHRDINOSRB-SFHVURJKSA-N 397.500 4.540 0 50 GJAA CCOc1ccc(N(CC)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1 241564198 OSEAAQXFVVWARH-UHFFFAOYSA-N 398.503 5.010 0 50 GJAA Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2)cc1 670170 QBBRKQLVCDLYPE-KRWDZBQOSA-N 387.435 4.676 0 50 GJAA CC(=O)c1ccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 1053370 IXSHNQFWDRGGEV-UHFFFAOYSA-N 398.915 4.720 0 50 GJAA CC(C)(C)c1ccccc1NC(=O)c1ccccc1I 1134938 VICYNLOURFRKAC-UHFFFAOYSA-N 379.241 4.841 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc3ccccc23)NC(=O)N1 1154331 GFXQSOJJOANUKX-QFIPXVFZSA-N 385.467 4.723 0 50 GJAA Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(Br)cc3F)cc12 2760279 NOSXKVZABFZAAH-UHFFFAOYSA-N 375.241 4.949 0 50 GJAA O=C(NCCOc1ccccc1)c1ccccc1SCc1ccc(F)cc1 2877208 LEWCRHRTORVMRZ-UHFFFAOYSA-N 381.472 4.927 0 50 GJAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 4869841 SGXGKMHEBVXPLB-UHFFFAOYSA-N 382.641 4.670 0 50 GJAA O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccccc1F 5649805 HYAFMGCNVQIFHD-UHFFFAOYSA-N 397.262 4.648 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 11911575 MPMNBYAVIWRXLP-KRWDZBQOSA-N 395.478 4.613 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 14879771 PCEHSEQDSOBZAL-SAJDGTNDSA-N 391.490 4.509 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)c1 18116192 UYSXMJQCTOJVBZ-CALCHBBNSA-N 390.483 4.550 0 50 GJAA CCCCn1c(=N)n(CCOc2ccc(Br)cc2)c2ccccc21 19953936 JHFTYOKJYIDRNL-UHFFFAOYSA-N 388.309 4.564 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2CCCn2ccc(C)n2)ccc1O 65434332 SWWYCNIBDZTUFL-UHFFFAOYSA-N 388.471 4.527 0 50 GJAA CNC1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 72408035 PHYXILIDRHGFQW-UHFFFAOYSA-N 377.488 4.626 0 50 GJAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@H]1C[C@@H]1c1ccccc1Cl 109338290 BGZYSPYLXWJKSC-VCBZYWHSSA-N 381.863 4.810 0 50 GJAA O=C(Nc1cccc(CN2CCC[C@@H](c3ccn[nH]3)C2)c1)c1ccccc1Cl 121182604 WGJGAMODOIICPH-QGZVFWFLSA-N 394.906 4.695 0 50 GJAA Fc1cc(-c2noc(CNc3cccc(Br)c3)n2)cc(F)c1F 131397790 APUFCLMJZZCCIX-UHFFFAOYSA-N 384.155 4.529 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(-c2cc4ccccc4o2)cc1)[C@@H]1C[C@@H]31 245226502 ZPRFWGVOJIMMSJ-CXWWUJLYSA-N 381.431 4.657 0 50 GJAA CC(C)c1cccc(-c2ccc(C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)o2)c1 252540574 PNECGKXYTRASFG-LJQANCHMSA-N 388.467 4.926 0 50 GJAA Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)sc1-c1ccccc1 914792359 DVNFSFASDIWLIO-UHFFFAOYSA-N 398.431 4.938 0 50 GJAA CCCOc1ccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)cc1Cl 1857732244 ISCSUFMZFNYUHC-KRWDZBQOSA-N 390.911 4.893 0 50 GJAA C[C@H](N[C@H](C)c1cc(Br)cs1)c1cccc(-n2cnnc2)c1 2325788771 AZMZYOBAWCOSIU-NWDGAFQWSA-N 377.311 4.503 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2c1cc(C)c1ccccc12 624980 UOTXHBVYGUKLPK-UHFFFAOYSA-N 387.435 4.817 0 50 GJAA Cc1cc(NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1Br 640114 AVGTYSMBMZXOKV-UHFFFAOYSA-N 395.256 4.510 0 50 GJAA Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3C)nc2c1 1123312 HYQRJIWDJAKALB-UHFFFAOYSA-N 381.501 4.971 0 50 GJAA Cc1ccc(C(=O)N[C@H](Nc2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 1187807 TVNFNHSVTYWGHR-HNNXBMFYSA-N 375.658 4.672 0 50 GJAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 4100972 YIKQHDYRSJOHJF-UHFFFAOYSA-N 378.457 4.517 0 50 GJAA COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1OC 5490820 AKCGTTPACNGXQE-UHFFFAOYSA-N 387.439 4.808 0 50 GJAA COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)n2)cc1 6141861 NLNCSIWABVHESF-OAHLLOKOSA-N 396.516 4.525 0 50 GJAA Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1 6234315 JTZJNLDEMYXZEK-KRWDZBQOSA-N 380.875 4.772 0 50 GJAA CCc1ccc(Cc2cnc(NC(=O)c3ccc4snnc4c3)s2)cc1 8843806 JJUDGSZLSMLSGP-UHFFFAOYSA-N 380.498 4.553 0 50 GJAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)cc1OC 12302815 RFOMUIJTYDCKBD-ZDUSSCGKSA-N 387.505 4.625 0 50 GJAA O=C(Nc1ccccn1)c1ccc([C@@H]2CCCN2C/C=C/c2ccco2)s1 19607375 BDTLSZCVDVIXKY-ZVVFDCPKSA-N 379.485 4.839 0 50 GJAA Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCc3cccc(F)c3)c12 20256726 RTJKNYXNVJMZGQ-ZDUSSCGKSA-N 398.507 4.623 0 50 GJAA Cc1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28290834 AMAKPTXNEDUAOM-UHFFFAOYSA-N 384.838 4.795 0 50 GJAA COc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1Cl 35598018 DCABDNFLHLZFMU-UHFFFAOYSA-N 383.839 4.835 0 50 GJAA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)c(F)c3)C2)c1 43083336 HLKOWYPBZNROHE-KRWDZBQOSA-N 383.442 4.743 0 50 GJAA O=C(c1ccc(-c2cccc(CO)c2)nc1)N1CCC[C@H](c2ccccc2)CC1 67757357 NDOGZLHLAXIINA-NRFANRHFSA-N 386.495 4.651 0 50 GJAA COc1ccc(NC(=O)N2CCC(c3nccn3C(C)C)CC2)cc1Cl 92077390 BOIKBYSQVGFKTL-UHFFFAOYSA-N 376.888 4.538 0 50 GJAA CC(=O)CCC(C)(C)C(=O)OCc1c(Cl)nc(Cl)n1-c1ccccc1 170609454 DAWDYJNYHMVCOF-UHFFFAOYSA-N 383.275 4.618 0 50 GJAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1c(C)cccc1C 177794926 RUSPQHBHDXGEAW-SFHVURJKSA-N 391.475 4.652 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612311 HZUUHCXBSGFHDC-RHOYHYFJSA-N 376.537 4.750 0 50 GJAA CC(C)NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 302889036 BNAJCWDXKBWPMA-UHFFFAOYSA-N 382.895 4.743 0 50 GJAA O=C(O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@H](O)c2ccccc2)CC1 846234514 SAIJLCHVIBYYHR-RTBURBONSA-N 394.298 4.565 0 50 GJAA COc1cccc2cc(CNC(=O)Nc3nc4cc(F)c(C)cc4s3)oc12 1310672410 LVZVZHPRKFUMIP-UHFFFAOYSA-N 385.420 4.820 0 50 GJAA CCN(C)c1ccccc1NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 1875271325 JBLKEYUVINAHPJ-OAQYLSRUSA-N 379.504 4.528 0 50 GJAA C[C@H](CNC(=O)CN(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 2325725277 PAUCWNALTKEEOF-CLOONOSVSA-N 390.502 4.767 0 50 GJAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(CC(C)C)cc3)C2)[C@@H]2CCCC(=O)N12 2356158777 YZHBJSZEMQMBGE-BJESRGMDSA-N 396.575 4.527 0 50 GJAA Cc1ccc(C)c(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 971183 YXPVWTFKXWIEIU-QGZVFWFLSA-N 385.722 4.771 0 50 GJAA COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 1176027 KSDRLMDMGQBKLC-UHFFFAOYSA-N 385.423 4.593 0 50 GJAA CCCCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2 2285900 XPQQQRLNRBTQIQ-UHFFFAOYSA-N 378.472 4.835 0 50 GJAA CCN(CC)c1nc(N(c2ccccc2)c2ccccc2)nc(-n2cccc2)n1 4189830 WSMRFENLFDKOIG-UHFFFAOYSA-N 384.487 4.978 0 50 GJAA Cc1cccc(NC(=O)COc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 4840909 QZDHEWGTASJOAW-SFHVURJKSA-N 388.467 4.504 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1)c1ccc(F)cc1 12745409 SIXUVQIMABKYPZ-SFHVURJKSA-N 392.474 4.728 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27377350 SGVFWNDOEZJVPK-QGZVFWFLSA-N 387.439 4.811 0 50 GJAA CCCCC(=O)Nc1ccc(NC(=O)Cc2csc(SCC)n2)cc1 55224913 MQGDZNXHUGKIBR-UHFFFAOYSA-N 377.535 4.565 0 50 GJAA C[S@](=O)Cc1ccc(Cl)c(NCc2nnc(-c3ccccc3Cl)o2)c1 133903761 RCUKOCLZGJTNLP-RUZDIDTESA-N 396.299 4.534 0 50 GJAA CCSc1cc(C(=O)Nc2cc(Br)cc3nc(C)oc23)ccn1 170600363 UYYNFZPVEGAPKJ-UHFFFAOYSA-N 392.278 4.658 0 50 GJAA COc1cccc(OC)c1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 193864217 IHKOFGHLIGIGJH-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@H]12 239038513 DIYGODQITXZLQE-JPUNDUNCSA-N 396.571 5.616 0 50 GJAA Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@H]2C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 239305882 GDRAUJABWXLFGX-UURVTBTISA-N 379.887 4.886 0 50 GJAA CC(C)Cc1noc([C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3F)C2)n1 1529168442 DNIYJYAILAEPBY-AWEZNQCLSA-N 385.405 4.806 0 50 GJAA COc1ccc(C[C@H](C)C(=O)N2CCC(c3cccc4cnccc34)CC2)cc1 1875261451 CSLBMVDUODQHOM-SFHVURJKSA-N 388.511 4.828 0 50 GJAA CCOC(=O)c1cnc(CNc2cccc(OCc3ccccc3C)c2)s1 2325853341 MABSXZICRXSVSK-UHFFFAOYSA-N 382.485 4.819 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 672852 YXCYWGIJYNIHPW-UHFFFAOYSA-N 383.391 4.685 0 50 GJAA COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1 1445136 XMJZUMUQTBGQSM-XSFVSMFZSA-N 385.419 4.619 0 50 GJAA Cc1ccccc1-c1cc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2n1 2744807 IUKKJOUIUFRCNI-UHFFFAOYSA-N 381.435 4.561 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c(-c3ccccn3)cccc12 6242352 ZIWLVKMKOKPICD-UHFFFAOYSA-N 388.398 4.548 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 12094179 FAERYDBUYMBFSZ-KRWDZBQOSA-N 396.512 4.738 0 50 GJAA O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCc2ccccc2C1 12459178 YVXWGKUATGLQRY-UHFFFAOYSA-N 386.426 4.756 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2csc(C(C)C)n2)C1 12575792 BLYBWQZPHMMYQF-LJQANCHMSA-N 399.604 4.602 0 50 GJAA CCOc1cccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)c1 12949558 YQLJAUKZMHEXKH-UHFFFAOYSA-N 383.451 4.626 0 50 GJAA Brc1cccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 39769773 HEGRQVZYUPRVKO-UXHICEINSA-N 377.370 4.678 0 50 GJAA CCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Br)cc1 71375573 NWCIIAXLENNXPW-UHFFFAOYSA-N 379.261 4.783 0 50 GJAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 239038787 DXWNEBLAIMZSMI-ZCVTWQBDSA-N 383.447 5.168 0 50 GJAA CCOC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 263625205 XRRJGDIDYWFBOR-JKSUJKDBSA-N 399.903 4.943 0 50 GJAA Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cc2cc(F)ccc2s1 1875261001 YUVQEXZJNYWRCH-UHFFFAOYSA-N 390.505 4.750 0 50 GJAA Cc1cc(NC(=O)c2cnc3snc(C)c3c2)ccc1Oc1ccncc1 1875263330 GPTAHCDWDMDLNY-UHFFFAOYSA-N 376.441 4.748 0 50 GJAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC[C@H](c2ccccn2)C1 1875332142 GXLPEUXDFDWIAP-FQEVSTJZSA-N 382.467 4.645 0 50 GJAA Brc1cccc2nc(N3CC4(CCOCC4)[C@@H]3c3ccco3)oc12 1875392819 VSMINWLUNNXVNM-INIZCTEOSA-N 389.249 4.541 0 50 GJAA CCC[C@H](N=c1ccc2nnc(-c3ccsc3)n2[nH]1)c1cc(F)ccc1F 2325839912 JJLKMFFAJLFDJF-INIZCTEOSA-N 385.443 4.506 0 50 GJAA COc1cccc2cccc(C(=O)NC[C@@](C)(O)C3CCC(C(C)C)CC3)c12 2325842319 UPUPWYYSCUAQOD-VWLBVBLESA-N 383.532 4.792 0 50 GJAA CCSc1ccccc1CCNc1nc2ccccc2nc1N1CCCC1 2325853122 DRZGTXKDWZMUAY-UHFFFAOYSA-N 378.545 4.997 0 50 GJAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(Br)cc1 828235 NNIPCPHFEIZMGW-UHFFFAOYSA-N 383.167 4.701 0 50 GJAA Cc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2095762 BVOBNQKPFVHUPB-UHFFFAOYSA-N 385.419 4.786 0 50 GJAA biogenic O=C(O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 2541363 JQJOWILVGOJWJF-UHFFFAOYSA-N 393.483 4.950 0 50 GJAA CCCCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21 2745813 YVIOAYTZOUVZGV-UHFFFAOYSA-N 376.485 4.755 0 50 GJAA O=C(Nc1cccc2ccccc12)c1cnn2c(C(F)F)cc(C3CC3)nc12 2779026 RQKIRDRVOOAZSS-UHFFFAOYSA-N 378.382 4.950 0 50 GJAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5756619 SPUOPTCIVFNKFX-VXGBXAGGSA-N 383.288 4.554 0 50 GJAA Sc1nnc([C@@H](Sc2ccccc2)c2ccccc2)n1C[C@@H]1CCCO1 6927645 OEISRHYVGJRIGR-WMZOPIPTSA-N 383.542 4.628 0 50 GJAA CCCO[C@@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 12702668 GRKGKRSLNPKADM-HXUWFJFHSA-N 383.536 4.629 0 50 GJAA Cc1cc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cs1 17080674 JWZAKXHGENXCLV-UHFFFAOYSA-N 394.525 4.736 0 50 GJAA Cc1ccc(-c2nc(CN3CCC([C@H](O)Cc4ccccc4)CC3)c(C)o2)cc1 20775771 AMMKTOJCFYLEIP-XMMPIXPASA-N 390.527 4.774 0 50 GJAA Cc1ccc(C(=O)Oc2ccc([C@H](CN(C)C)C3(O)CCCCC3)cc2)cc1 34845626 QKYBZJLEMOZFFU-QFIPXVFZSA-N 381.516 4.555 0 50 GJAA FC(F)(F)c1cccc(N2CCN(Cc3ccc(Br)cc3)CC2)c1 55069445 MWKIJVNPSWEFCJ-UHFFFAOYSA-N 399.254 4.790 0 50 GJAA O=C([C@@H]1CC=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67541713 CNJFYFXLJUNGDQ-OAHLLOKOSA-N 383.875 4.790 0 50 GJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(c1cc(C3CC3)ncn1)C2 67787890 XEDRCHGOESTFIA-UHFFFAOYSA-N 393.874 4.779 0 50 GJAA COc1ccc(N2C(=O)C[C@H](c3c(-c4ccccc4)cc4ccccn34)C2=O)cc1 101365408 XSUNDQJWOQVRIH-JOCHJYFZSA-N 396.446 4.662 0 50 GJAA COc1cccc2ccc(CN3CCC(c4nc5ccc(F)cc5[nH]4)CC3)nc12 215759700 XHBQRUNPRFTJTP-UHFFFAOYSA-N 390.462 4.638 0 50 GJAA Cc1cc(NC(=O)c2csc(-c3ccccn3)n2)ccc1Oc1ccncc1 786022698 NAWXQCRPXQPBJA-UHFFFAOYSA-N 388.452 4.953 0 50 GJAA CC(C)C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 827621898 ZRJIWEPODMFVIV-UHFFFAOYSA-N 378.394 4.572 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@H](OCc3ccccn3)C2)s1 952989706 TVLKEVJMWUDIJC-IBGZPJMESA-N 379.529 4.695 0 50 GJAA Cn1c(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc2cccc(Cl)c21 952990025 UCORHERNZRPDOO-KRWDZBQOSA-N 384.863 4.642 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1 1171066 UOQSZEQZLYRCRW-UHFFFAOYSA-N 390.508 4.852 0 50 GJAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1F 1179068 CWCUOALVKYLZJH-UHFFFAOYSA-N 380.810 4.774 0 50 GJAA Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccccc1F 2796284 JYAJRVXNDIRHSG-UHFFFAOYSA-N 391.368 4.958 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCCC2)cc1 2836840 ZVYCWTCMHCFCRJ-UHFFFAOYSA-N 386.879 4.617 0 50 GJAA COc1ccc(OC)c([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1 5066559 WDXJLDANNRZOME-JOCHJYFZSA-N 386.451 4.788 0 50 GJAA CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cc1 12092600 IMNTVMYPUVRONE-UHFFFAOYSA-N 388.515 4.535 0 50 GJAA Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)oc2c1C 12306876 MEBWEAOZZJNLDC-IBGZPJMESA-N 378.472 4.574 0 50 GJAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CC34CCCCC4)CC2)c1 12440590 LFOXNMAHXYYOHN-OAQYLSRUSA-N 382.548 4.923 0 50 GJAA Cn1c(CCc2ccccc2)nnc1SCc1cccc(C(F)(F)F)c1 14092168 FFEQRDWNEDPBDH-UHFFFAOYSA-N 377.435 4.911 0 50 GJAA COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)c1ccoc1)C2 14997619 ROFZSMSLKLNCIP-UHFFFAOYSA-N 395.480 4.712 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1O 15009898 VGCJSLWMQMFHEN-YVLHZVERSA-N 389.860 4.681 0 50 GJAA CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 16648883 TUDQXFVVVPOFGH-UHFFFAOYSA-N 384.907 4.954 0 50 GJAA Cc1ccc(-n2c(S)nc3sc(C)c(-c4ccccc4)c3c2=O)c(O)c1 17077807 KQEBNSKUOREOBY-UHFFFAOYSA-N 380.494 4.725 0 50 GJAA c1ccc(Cn2cc(CN3CCCOCC3)c(-c3cc4ccccc4o3)n2)cc1 72422993 GFNNUGCPSFEMSG-UHFFFAOYSA-N 387.483 4.567 0 50 GJAA Cc1cccc([C@H]2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)c1 96139847 SVZXVRPCVHNZSG-IBGZPJMESA-N 377.488 4.533 0 50 GJAA CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 249698763 WJBPXFYDIOPTIY-WDPZDACHSA-N 378.516 4.519 0 50 GJAA Cc1ccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=N)n2C)cc1 334157591 POZLPLMKXKIOOB-UHFFFAOYSA-N 381.479 4.831 0 50 GJAA Cc1ccc(C(C)C)c(OCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 920067525 YHRUSLFDQOEMKQ-UHFFFAOYSA-N 389.496 4.840 0 50 GJAA Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccs1 1445860 VJIZCUVPBGISET-UHFFFAOYSA-N 397.340 4.929 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCC2 2090076 CEAGWFJCROJRGD-INIZCTEOSA-N 390.332 4.716 0 50 GJAA Cc1ccc(OCn2ccc(C(=O)Nc3nc4ccc(C)cc4s3)n2)c(C)c1 2794699 XOQYKEZUSAKNBB-UHFFFAOYSA-N 392.484 4.707 0 50 GJAA CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 2994895 SAOLGSHCAMOQOU-UHFFFAOYSA-N 396.468 4.517 0 50 GJAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)Oc1cc(Cl)ccc1Cl 4023837 IQAOWFNDJJMOSV-UHFFFAOYSA-N 389.160 4.968 0 50 GJAA CC1=C[C@H](C)[C@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@H](C)C1 4758523 GMXNCELBMADRND-SVMVAKDDSA-N 390.593 4.831 0 50 GJAA O=C(CCc1ccccc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 4809978 UIJRXDOBDBUABV-UHFFFAOYSA-N 382.463 4.694 0 50 GJAA CC(=O)Nc1ccc(Oc2ccc(Br)cc2Br)cc1 5378491 JJCDXXWNPBYQME-UHFFFAOYSA-N 385.055 4.962 0 50 GJAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)c1ccco1)C2 12246965 BSJIEBXGUNYWHD-HXUWFJFHSA-N 398.462 4.845 0 50 GJAA Cc1cccc(CN2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 12387806 YCCMAICKBXQJEK-OAQYLSRUSA-N 399.538 4.699 0 50 GJAA CSc1cccc(CN2CCc3c(cccc3NC(=O)c3ccncc3)C2)c1 20271352 XFTYLHLZBODNTC-UHFFFAOYSA-N 389.524 4.614 0 50 GJAA CC[C@@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(OC)c3)CC2)cc1 20363749 LSKSHUZXLJUOSF-GOSISDBHSA-N 397.588 4.723 0 50 GJAA Cc1oc(-c2cccs2)nc1-c1nccn1Cc1cc(-c2cccnc2)no1 72172941 MCDCPANSNDJGAZ-UHFFFAOYSA-N 389.440 4.673 0 50 GJAA CO[C@@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 72463631 QEBCTIRPEKDBHQ-LJQANCHMSA-N 399.897 4.943 0 50 GJAA Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(Br)n1 128118473 MEEQTSNAZWHRDF-UHFFFAOYSA-N 392.640 4.713 0 50 GJAA CCC(=O)c1cccc(-c2cccc(C(=O)NCC[C@H](C)n3ccnc3)c2)c1 426388057 VOCHQCYPYROUDI-KRWDZBQOSA-N 375.472 4.524 0 50 GJAA CC[C@@H](C)N(Cc1ccccc1C)C(=O)c1ccc(-c2cncc(O)n2)cc1 534653896 WHQJJKKXBJQZMR-QGZVFWFLSA-N 375.472 4.599 0 50 GJAA COc1cccc(-c2csc(CNc3ccc4c(c3)CCCC(=O)N4)n2)c1 1474046792 WMMBUXZYBLCEJP-UHFFFAOYSA-N 379.485 4.706 0 50 GJAA O[C@H](CNC1CC2(CC(COCc3ccccc3)C2)C1)Cc1cccc(Cl)c1 1875320664 UKQWBFRVDPKCDP-XEMRXWCXSA-N 399.962 4.609 0 50 GJAA Cc1ccc(-c2nc(-c3nc(-c4ccncc4)no3)c(-n3nc(C)cc3C)o2)cc1 2050024876 FSVIQOCRKVBDQM-UHFFFAOYSA-N 398.426 4.565 0 50 GJAA Cc1nc(SCC(=O)Nc2c(C)cccc2C)c2c3c(sc2n1)CCC3 628751 SYCFRTAPABSTRG-UHFFFAOYSA-N 383.542 4.836 0 50 GJAA O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1Cl 941346 KBFQGXDRTBBXBL-UHFFFAOYSA-N 385.609 4.568 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCC1)CCCCC2 1182279 NHCYVQPSEYDJEO-UHFFFAOYSA-N 382.529 4.814 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 2101793 QWEMTQXOWYCRFN-AWEZNQCLSA-N 375.852 4.621 0 50 GJAA COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@]1(C)CC1(Cl)Cl 2759334 ZEPJOGSVSWKVRU-KRWDZBQOSA-N 398.311 4.648 0 50 GJAA CC[C@H](Oc1ccccc1)C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 2821703 TYURMSZTMLWGTK-INIZCTEOSA-N 375.490 4.726 0 50 GJAA CCCCN(CCCC)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 4834131 MOEUATCQTSNAIW-NRFANRHFSA-N 398.547 4.581 0 50 GJAA COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)c1 11668039 DYVASEYIKAVCSK-OAQYLSRUSA-N 393.487 4.789 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1 12112162 HMBPEQCNAXBMKE-XMMPIXPASA-N 383.507 4.581 0 50 GJAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2c[nH]nc2C2CCCCC2)C1 12200511 RCAPBGSXOBRFMC-XMMPIXPASA-N 381.564 4.665 0 50 GJAA CCn1ncc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1C 12300813 YTDBPKNECLOLOW-OAQYLSRUSA-N 377.536 4.509 0 50 GJAA OCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2F)o1 12455898 JHLWAYGKVCOFOD-QHCPKHFHSA-N 376.431 4.540 0 50 GJAA O=C(c1cccc2ccccc12)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19787477 DOZGRSMJKAECFV-UHFFFAOYSA-N 398.428 4.817 0 50 GJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(n2ccnc2)CC1 111739173 QOFKQWUYQTXYIZ-UHFFFAOYSA-N 397.866 4.593 0 50 GJAA C[C@H](NC(=O)N[C@H](C)C[C@H](O)c1cccs1)c1ccc(-c2ccncc2)cc1 129495730 FXRZBPNDXYPLJU-GUXCAODWSA-N 395.528 4.683 0 50 GJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 130545903 PJOZUTGNEOMEIH-AWEZNQCLSA-N 382.529 4.670 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 194342240 RRPZCVMHCPKCOH-GOSISDBHSA-N 389.377 4.792 0 50 GJAA O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2oc(CCc3ccccc3)nc2c1 208243094 LLNALJSTDVDLAP-RTWAWAEBSA-N 382.463 4.899 0 50 GJAA C[C@]1(c2ccccc2)CC[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C1 245226481 ZFUNSQLABWWPNS-WFXMLNOXSA-N 398.300 4.697 0 50 GJAA COCCn1ccc2c(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cccc21 263587815 LONGCCJWUFWZDF-NRFANRHFSA-N 393.512 4.769 0 50 GJAA CCO[C@@H](C)c1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875331589 ONDMITWMPUZNDY-IUCAKERBSA-N 375.650 4.723 0 50 GJAA C=CC(=O)NC[C@H](NC(=O)[C@@H]1CC=Cc2ccccc21)c1ccc2ccccc2c1 1875385874 DGZFIKMJICMYKE-RPWUZVMVSA-N 396.490 4.500 0 50 GJAA C[C@H](c1cccnc1)N(Cc1nc2cc(Cl)ccc2n1C)CC1CCOCC1 1875391398 JYUGLATWUGSWGK-MRXNPFEDSA-N 398.938 4.612 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1ccc(Br)cc1C 2325842060 NFFWRSPUFHSQGK-IAGOWNOFSA-N 376.338 4.568 0 50 GJAA CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC[C@@H](C)C2 995996 XZHMEOILOPMNOT-SNVBAGLBSA-N 379.428 4.580 0 50 GJAA c1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 1050334 DDXRYFFNMVXGDU-UHFFFAOYSA-N 382.467 4.738 0 50 GJAA biogenic CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 1198025 BVJCPFLFGSPYQT-CYBMUJFWSA-N 377.271 4.547 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 1201439 AQXMDLPDELXGLN-LJQANCHMSA-N 399.947 4.895 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 1787723 VVJJAMABZXTOCM-UHFFFAOYSA-N 382.243 4.821 0 50 GJAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1ccncc1 2763414 ACIHXZKIEGJYDS-UHFFFAOYSA-N 375.259 4.502 0 50 GJAA COc1ccc(C(=O)C[C@H](c2ccc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 5929863 VVWBBJCGBNFTHS-JOCHJYFZSA-N 398.480 4.693 0 50 GJAA Cc1ccc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1N(C)C 6901897 KARDZTUEJIVQOM-UHFFFAOYSA-N 392.503 4.676 0 50 GJAA CCOC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 9144556 KENFSKXGUZSQIH-UHFFFAOYSA-N 381.472 4.929 0 50 GJAA Cc1nc([C@@H](C)NC(=O)c2csc3nc(-c4ccccc4C)cn23)cs1 11935660 LJQVQILIRVQVHO-GFCCVEGCSA-N 382.514 4.627 0 50 GJAA Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2c(C)noc2C)cc1 20616254 XPEJFJQCDLPIQJ-UHFFFAOYSA-N 376.456 4.772 0 50 GJAA Cc1ccc2nc(-c3cnc(C4CC4)nc3)cc(C(=O)N3CCC(C)(C)C3)c2c1 63857081 DVASIMGVVZEIHY-UHFFFAOYSA-N 386.499 4.750 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1ncncc1C(C)C)CCO2 67974566 MYDFLEOOUXYBGF-UHFFFAOYSA-N 375.472 4.680 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3C)C[C@@H]12 245238957 CYLDEGQGXAFYIQ-XAIRVXBLSA-N 392.543 4.648 0 50 GJAA CN(C(=O)[C@@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 253454745 AWPIQIYQLIIQOS-WOJBJXKFSA-N 386.451 4.717 0 50 GJAA COc1ccc(NC(=O)[C@@H](OC(=O)CCC2CCCC2)c2ccccc2)cc1 328592333 CUEBLILMAQDZAE-QFIPXVFZSA-N 381.472 4.889 0 50 GJAA O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 329178901 NGALAWZHDJGWES-SQJMNOBHSA-N 386.495 4.669 0 50 GJAA C[C@@H](c1ccc(Cl)cc1)N(C1CC1)S(=O)(=O)c1cccc2ccncc12 1474879431 HGXGNKAMHSPSPW-AWEZNQCLSA-N 386.904 4.803 0 50 GJAA COc1cccc([C@H]2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C2)c1OC 1506430559 XMSJYTRYAUUQRK-KRWDZBQOSA-N 397.906 4.532 0 50 GJAA CC(C)N1CCCC[C@H]1Cn1c(=O)n([C@@H](C)c2ccccc2)c2ccccc21 1875357494 JPVGFPMLFXGREW-FPOVZHCZSA-N 377.532 4.675 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccco1 1213384 GYTQEGGOWBNSNJ-UHFFFAOYSA-N 397.843 4.868 0 50 GJAA Cc1cc(SCC(=O)Nc2nsc(-c3ccccc3)n2)nc2ccccc12 2696225 TZPHZUWZVGUGON-UHFFFAOYSA-N 392.509 4.793 0 50 GJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1OC 4037172 CJJKLLBQANKTDC-UHFFFAOYSA-N 381.453 4.853 0 50 GJAA Cc1cc(C)c(C2=NN(c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 4625714 RPQKBTARLIRQDD-HXUWFJFHSA-N 379.410 4.626 0 50 GJAA COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(OC)c1 4809598 MTVWCBVRUZBAOK-UHFFFAOYSA-N 387.439 4.579 0 50 GJAA COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 4855846 HBJXMWNEFXSXBX-UHFFFAOYSA-N 385.467 4.962 0 50 GJAA COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(C)cc1 4999709 ZCABCXBEAWEDER-UHFFFAOYSA-N 382.891 4.921 0 50 GJAA COc1cc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1F 11841878 KIKMDGPMXIGEQT-NRFANRHFSA-N 379.479 4.804 0 50 GJAA Cc1occc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12023631 FXQZQVRDSLQYNI-FQEVSTJZSA-N 377.488 4.879 0 50 GJAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12054723 BZGJGSXQZJKEPA-LJQANCHMSA-N 379.891 4.621 0 50 GJAA CSc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCCN24)c1 12748693 GLHDELJMKFYJKD-SSPYTLHUSA-N 392.568 4.655 0 50 GJAA O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 22238505 MZQWLMHQAQWWOP-UHFFFAOYSA-N 390.914 4.828 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1C 63857657 KCATXBYZHHTDGJ-MRXNPFEDSA-N 376.504 4.921 0 50 GJAA CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccc(-c2ccccc2)nn1 125924664 ZNVDRGAYCOOAQR-UHFFFAOYSA-N 398.441 4.985 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1C 169754579 KCTAIOSOLNFXJX-SFHVURJKSA-N 381.863 4.984 0 50 GJAA CC[C@]1(CO)CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 187072779 DMQXMIVNJYDZQS-FQEVSTJZSA-N 386.542 4.650 0 50 GJAA CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239212569 SYMHCTPDXDKNHO-PBWTXFEYSA-N 398.528 4.694 0 50 GJAA CC(C)C[C@@H](C(=O)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@H]12)n1cccc1 886025190 BWWZNAGGRMEFPI-ZRBLBEILSA-N 385.596 4.578 0 50 GJAA CC(C)n1ccc2ccc(C(=O)NCc3cc(Cl)cc4c3OCOC4)cc21 952962576 CZDBOWDBQCZMNA-UHFFFAOYSA-N 384.863 4.672 0 50 GJAA COC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1506400042 SOMLIZCUVZHCPR-HNNXBMFYSA-N 387.789 4.605 0 50 GJAA COc1ccc(NC2(C(=O)N(Cc3ccc(C)s3)C3CC3)CCCC2)cc1 1506418990 VLSVKHIDPBWULX-UHFFFAOYSA-N 384.545 4.981 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cc4ccccc4o3)C2=O)cc1 2356152163 RSTROUYESGDWRV-DEOSSOPVSA-N 388.467 4.543 0 50 GJAA Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Sc3ccccc3)c2C)c(C)c1 753108 FCWAFDRQFXZWMQ-UHFFFAOYSA-N 386.542 4.813 0 50 GJAA O=C(NC(=S)Nc1cccc(O)c1)c1cc(-c2ccccc2)nc2ccccc12 1009169 ITLAJYOLERRKAB-UHFFFAOYSA-N 399.475 4.734 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 1092489 OACNFLTXWBKKIS-ZOVQAKDCSA-N 393.486 4.956 0 50 GJAA biogenic CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2OC)cc1 1779198 BOLMKQTUYCZBGW-KRQHZRJMSA-N 397.427 4.740 0 50 GJAA C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799899 GJXGXRQWBBRFKZ-YGRLFVJLSA-N 385.357 4.724 0 50 GJAA Cc1c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)sc[n+]1Cc1ccccc1 4748714 RNKYFZIQGFNVLI-UHFFFAOYSA-N 396.576 4.694 0 50 GJAA Cc1cccc(-c2noc(CN(C(=O)COc3ccccc3Cl)C(C)C)n2)c1 4838560 VAGFYGQEVPVDFY-UHFFFAOYSA-N 399.878 4.514 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1OC 5498429 ISHNYCZNSRAUQS-UWJYYQICSA-N 386.879 4.883 0 50 GJAA COc1cccc([C@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)c1 11873788 CDBRJLGCLCRBPF-OAQYLSRUSA-N 377.488 4.591 0 50 GJAA CC(C)=CCN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 12305427 GNNLGOQVCVIUDI-UHFFFAOYSA-N 388.515 4.847 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc12 12507306 WGBUMOSOXHQVHO-IBGZPJMESA-N 376.475 4.621 0 50 GJAA Cc1n[nH]c(C)c1CN(C)C(=O)C[C@@H](c1cccc(Cl)c1)c1ccccc1O 15076950 PGBBQIGXQKPBPR-IBGZPJMESA-N 397.906 4.566 0 50 GJAA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C(C)C)cc1 16647543 NTUDXQXFIGQNHN-UHFFFAOYSA-N 388.393 4.970 0 50 GJAA O=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67675553 RTPWOBUUDUPKBR-UHFFFAOYSA-N 388.446 4.717 0 50 GJAA CC(=O)Nc1cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)ccc1C 133893605 LAYMWAMBTCXUBX-UHFFFAOYSA-N 376.460 4.671 0 50 GJAA Cc1cc2cc(NC(=O)[C@H](C(C)C)n3cnc4cc(F)c(F)cc43)ccc2[nH]1 170601587 GOGHABYOPOIKJJ-FQEVSTJZSA-N 382.414 4.940 0 50 GJAA CCn1c(C)cc2cc(NC(=O)N3CCCC[C@H]3CCn3ccnc3)ccc21 299791891 DANDEPANFMKYRA-FQEVSTJZSA-N 379.508 4.643 0 50 GJAA COc1cc(SC(C)C)c(OC)cc1CCNCc1ccccc1OC 299817094 BOWHVFJVXBVJCU-UHFFFAOYSA-N 375.534 4.545 0 50 GJAA in-vitro CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 303185509 UKMXVFFDQRNGSU-UHFFFAOYSA-N 393.468 4.814 0 50 GJAA Cc1ccc2c(-c3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ccnc2c1C 534576116 WRRHYJBBYJIVPB-UHFFFAOYSA-N 387.527 4.685 0 50 GJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cccc(OCCc3ccccc3)c1)C2 1704300777 ZPDWTYUNNORIDI-NOZRDPDXSA-N 393.527 4.729 0 50 GJAA Cc1ccccc1C1CC(N(C(=O)c2ccc(OCC3CC3)nc2)C2CC2)C1 1875260401 SAMJXTDRMFGHOL-UHFFFAOYSA-N 376.500 4.730 0 50 GJAA CCOP(=O)(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)OCC 1875300788 QKJOTBFRRJXHAE-GOSISDBHSA-N 381.453 4.914 0 50 GJAA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccccc1 625843 XMPCCKDZLCJXSZ-UHFFFAOYSA-N 386.480 4.665 0 50 GJAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(C)C)cc3)nc12 653125 OWQJQNILELACFW-UHFFFAOYSA-N 377.366 4.715 0 50 GJAA CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1OC(C)=O 848449 KCJBKWXVLKKRMG-UHFFFAOYSA-N 379.437 4.866 0 50 GJAA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1OC 1175919 OVFXYOPUYJXBJT-UHFFFAOYSA-N 399.450 4.809 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 1180129 QVERHLOHHLNXMU-UHFFFAOYSA-N 376.909 4.778 0 50 GJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2582440 SPUOPTCIVFNKFX-RYUDHWBXSA-N 383.288 4.554 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@@H](C)C1 6201507 ZSPYWLCKTUGBGZ-ZIAGYGMSSA-N 388.558 4.876 0 50 GJAA COC[C@@H]1CCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 11816900 OQNJZVOSYROEHZ-QGZVFWFLSA-N 399.535 4.825 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 12298642 NISROCCTQBAWJC-QGZVFWFLSA-N 393.512 4.553 0 50 GJAA COc1cccc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1 12570324 LYQFZOKZXMBKQR-UHFFFAOYSA-N 393.449 4.531 0 50 GJAA O=C(CC[C@@H]1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl 14957814 IOVXAIAEROZHIO-HNNXBMFYSA-N 390.877 4.791 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 15065584 QYSGABCJNJJNND-GOSISDBHSA-N 375.424 4.807 0 50 GJAA COc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c(OC)c1 19788430 VRADBUYXNXWTNL-UHFFFAOYSA-N 394.559 4.548 0 50 GJAA C/C(=C\[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112956930 JXTNUXJSXXIIFE-VISDOYDDSA-N 381.472 4.820 0 50 GJAA Cn1c(=O)ccc2ccc(NC(=O)NC3CCC(c4ccc(F)cc4)CC3)cc21 489083221 NXZUVIIHHQCCTK-UHFFFAOYSA-N 393.462 4.526 0 50 GJAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1 534646765 XDEOVNBGWIMGQY-VGOFRKELSA-N 382.529 4.555 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2cncs2)n1 1875331892 YNSLZGIELFSVSR-ZETCQYMHSA-N 386.658 4.749 0 50 GJAA O=S(=O)(Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 636622 MEBFHGJPBDHSKL-UHFFFAOYSA-N 377.259 4.683 0 50 GJAA COc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 951258 WKHSNGVMOLMNDE-FYWRMAATSA-N 389.451 4.935 0 50 GJAA Cc1cc(NC(=O)Cc2ccc(Cl)cc2)c(C)cc1I 1104856 VURCTPDGUGLOFS-UHFFFAOYSA-N 399.659 4.743 0 50 GJAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2c(Cl)cccc2Cl)cc1 3623704 HYXDNYCVDDLFJV-MRXNPFEDSA-N 396.270 4.728 0 50 GJAA O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCCCCCC1 11698680 HVZJEEAEPPETNT-UHFFFAOYSA-N 382.382 4.679 0 50 GJAA CC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2cccc3ccccc23)oc1C 14980208 ADHPFKVYEPEOQL-FQEVSTJZSA-N 391.515 4.684 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1 35511191 UKVIDCTWQTWCJF-HNNXBMFYSA-N 389.814 4.716 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)C[C@@H]1COc2ccccc2O1 55228243 BGOBFDIADFGGBN-OAHLLOKOSA-N 384.863 4.575 0 50 GJAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1Cc1noc(C2CCCC2)n1 65432986 WFNGZVAFNHCZMB-HNNXBMFYSA-N 382.533 4.933 0 50 GJAA CC[C@H](c1ccccn1)N(C)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 67955547 HURURMHYXOTDCR-GOSISDBHSA-N 394.475 4.820 0 50 GJAA Cc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)cs1 95364417 UJWNRDJPNDDALJ-HXUWFJFHSA-N 381.589 4.686 0 50 GJAA Cc1cc(C)nc(-n2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c(C)n2)n1 170643182 VEYMJEUAXZGHGI-UHFFFAOYSA-N 398.470 4.583 0 50 GJAA C[S@](=O)Cc1ccc(Cl)c(NC(=O)c2ccc(Nc3ccncc3)cc2)c1 170647684 CYOUCJCAJMHLOE-MHZLTWQESA-N 399.903 4.609 0 50 GJAA CC(C)(N)C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 236796300 GASCRTCVPGDQSF-NRFANRHFSA-N 397.522 4.820 0 50 GJAA Cc1cc2sc(=N)[nH]c2cc1-c1cccc(C(=O)N2CC=C[C@@H]2C(C)C)c1 534675305 OTLZUWLMKDYNMD-LJQANCHMSA-N 377.513 4.721 0 50 GJAA Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)c(C)cc1Br 1875318845 WQAMYHJRJWWHBH-UHFFFAOYSA-N 382.323 4.990 0 50 GJAA O=C(NCC1(F)CCC1)c1nc(-c2ccccc2C(F)(F)F)c2ccccn12 1875338365 VLXLHDMLADVCDC-UHFFFAOYSA-N 391.368 4.642 0 50 GJAA CC(C)Cc1csc(NC(=O)c2ccc(Br)cc2)c1C(=O)O 704124 BOGMJXQNEBCXOP-UHFFFAOYSA-N 382.279 4.660 0 50 GJAA Cc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CC[C@@H](C)C3 1104470 JQQWZRBWGSQXHW-SNVBAGLBSA-N 389.318 4.643 0 50 GJAA C[C@H](SCc1ccccc1)C(=O)Nc1ccc(I)cc1 1176285 GEKRVKQLQVRDBK-LBPRGKRZSA-N 397.281 4.552 0 50 GJAA CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 2881217 MVTYCZQTRVLMDW-LJQANCHMSA-N 390.483 4.748 0 50 GJAA Brc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H]1CO1 3128806 DGMRGIDWASSLGY-NSHDSACASA-N 381.067 4.718 0 50 GJAA COC(=O)c1sccc1NC(=O)CSc1cccc(Cl)c1Cl 4091892 LFPXYQXNXWBTPU-UHFFFAOYSA-N 376.286 4.572 0 50 GJAA CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 4556335 TUYUUMSGLSTZHF-HNNXBMFYSA-N 382.316 4.862 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCCCC2 4614238 FQNYVYGBVCVJIW-UHFFFAOYSA-N 379.428 4.724 0 50 GJAA O=C(c1cccc(F)c1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19790151 ZFEKACACXMETBH-UHFFFAOYSA-N 390.458 4.576 0 50 GJAA Cc1cccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C 20417865 QXNVZPKRQQABPQ-UHFFFAOYSA-N 377.410 4.676 0 50 GJAA Cc1cc(C)c(-c2c(-c3ccccc3)ncn2CC2(O)CCN(C)CC2)c(C)c1 65398859 CUMLIDLPJAMWBX-UHFFFAOYSA-N 389.543 4.599 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN1Cc1cncs1 95503179 IXSMNYLIGRAQNZ-FQEVSTJZSA-N 381.476 4.552 0 50 GJAA Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3O)c2C(F)(F)F)cc1 153530703 ICDXVQWVCIQLGV-UHFFFAOYSA-N 395.768 4.811 0 50 GJAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 155626341 XZPKOJVGPDIBDN-AWEZNQCLSA-N 399.947 4.905 0 50 GJAA O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC(c2c[nH]cn2)CC1 239882104 DAGSZIKTBXAGQP-UHFFFAOYSA-N 397.866 4.662 0 50 GJAA Cc1cc2sc(=N)[nH]c2cc1-c1cccc(C(=O)N2CC=C[C@H]2C(C)C)c1 534675304 OTLZUWLMKDYNMD-IBGZPJMESA-N 377.513 4.721 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2cc(C)ccc12 626846 GULBSJZWFYJBTK-UHFFFAOYSA-N 376.239 4.962 0 50 GJAA CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)c(Cl)c2)C1=O 706909 ZHJBDCUJAICGEN-UHFFFAOYSA-N 375.255 4.647 0 50 GJAA O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2cccnc12 1100862 JBTVRQWFVFTKKR-UHFFFAOYSA-N 386.782 4.708 0 50 GJAA CC1(C)Cc2c(c(-c3ccoc3)nc3oc(C(=O)c4ccccc4)c(N)c23)CO1 1132124 VSIATTWBXXUOCI-UHFFFAOYSA-N 388.423 4.752 0 50 GJAA COc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1Br 1207270 DUSYGTRNLODJPU-UHFFFAOYSA-N 389.249 4.860 0 50 GJAA Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)nc3ccccc23)n1 1208982 DWMHRKQHQZUNQL-UHFFFAOYSA-N 379.261 4.862 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2868381 FQWRQMKXHAJBEC-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC 4521879 MAYCICSNZYXLHB-UHFFFAOYSA-N 386.529 4.726 0 50 GJAA endogenous,in-man COc1cccc(NC(=O)CCC2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1 12373267 VBOXUUBRFCYMLY-UHFFFAOYSA-N 396.575 4.951 0 50 GJAA CN(C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)C(C1CC1)C1CC1 12715163 FSXRQFSEYMSZOM-HXUWFJFHSA-N 377.484 4.584 0 50 GJAA Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)s1 15065963 PNGCEGWYTWVFPB-SFHVURJKSA-N 390.980 4.737 0 50 GJAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cccs3)nc21 20615248 XOYVXQLPOYRPRT-UHFFFAOYSA-N 377.416 4.538 0 50 GJAA CC(C)CC(=O)C[C@@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 44126703 OHYZKVRPGYYMCC-GOSISDBHSA-N 393.874 4.990 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71759407 QPLHHSAZWBUELT-INIZCTEOSA-N 395.453 4.840 0 50 GJAA CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H]1C=C[C@@H](C1)C2(C(F)(F)F)C(F)(F)F 100796773 VTHZQAOUAHETLH-HUBLWGQQSA-N 388.311 4.712 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 132024516 BTYIPUVZHHJVID-VQIMIIECSA-N 396.874 4.954 0 50 GJAA Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)s1 229748096 URJJBNCNHPYTJK-ZOBUZTSGSA-N 387.549 4.895 0 50 GJAA Cc1ccc(NCc2c(C)n[nH]c2C)cc1Oc1ncccc1Br 448364430 FXMIIPVWSITHIK-UHFFFAOYSA-N 387.281 4.897 0 50 GJAA Cc1c(NC(=O)N2Cc3ccccc3OC(C)(C)C2)cccc1-c1ncco1 455537084 QUIGYGHTOJZHQL-UHFFFAOYSA-N 377.444 4.855 0 50 GJAA Cc1ccc2[nH]c(CNCc3cccc(C(=O)N4CCCCC4)c3)cc2c1C 2325739574 BXEIVRWGFURMLN-UHFFFAOYSA-N 375.516 4.701 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)O)C(c1ccccc1)c1ccccc1 621863 RUBYLACKGJPIPO-QHCPKHFHSA-N 381.472 4.673 0 50 GJAA O=C(Nc1ccc2ccccc2c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 850622 AGGPIDMAZDBJQJ-UHFFFAOYSA-N 392.414 4.893 0 50 GJAA COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 945527 OXGWRHROAXICAJ-UHFFFAOYSA-N 391.452 4.511 0 50 GJAA COC(=O)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 1149115 FVOUDGLMUXNFGG-UHFFFAOYSA-N 384.439 4.772 0 50 GJAA O=C(C[C@@H]1Nc2cccc3cccc(c23)NC1=O)Nc1cccc(C(F)(F)F)c1 2889950 XBMNHCBYPLLHTB-KRWDZBQOSA-N 399.372 4.620 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1C(F)(F)F 4916831 FTRKOLQLUNJQFB-OAHLLOKOSA-N 383.410 4.562 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(CCCSC)C3)cc2)c1 11880128 UPOUQYGSUMHYSV-FQEVSTJZSA-N 398.572 4.766 0 50 GJAA O=S(=O)(c1ccc(Cl)s1)N(Cc1ccccc1)Cc1ccccc1 13946695 KMWNUNMZACJRET-UHFFFAOYSA-N 377.918 4.793 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)C2CCC2)CC1 14979141 FLSGAZOAPAEQFN-UHFFFAOYSA-N 396.462 4.595 0 50 GJAA Cc1ccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)s1 15067973 KJXGGYSDKSPOIX-SFHVURJKSA-N 398.601 4.857 0 50 GJAA O=C(NCc1ccccn1)c1sc2cc(Br)ccc2c1Cl 16602843 CJBGSCWBFFAEQP-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA Cc1cc(C)c2c(n1)nn1c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc21 20616022 GBLYPKSNMLSNKV-UHFFFAOYSA-N 387.226 4.566 0 50 GJAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccc(O)c(Cl)c2)C1 23232307 BCJWUWBUXWUPNS-FQEVSTJZSA-N 380.315 4.516 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)on1 33269759 GJYDRYNRDTUYEB-AWEZNQCLSA-N 389.814 4.716 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2cccc(F)c2)CCO3)s1 67804811 MYIUVMSMLAXNAZ-UHFFFAOYSA-N 383.444 4.603 0 50 GJAA c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cnc(C4CCCCC4)nc2)C3)cc1 95385985 GUOMBKXZHXMADB-XUZZJYLKSA-N 390.575 4.621 0 50 GJAA Cc1c(NC(=O)c2ccc(Br)cc2Cl)cnn1-c1ccccc1 129408525 DEKJZCGTGDTTNP-UHFFFAOYSA-N 390.668 4.849 0 50 GJAA CCc1ccc(NC(=O)c2ccc3c(c2)N(CC)[C@H]2CCCCCN2C3=O)cc1 169766003 NNXJSXWQCWIRAK-JOCHJYFZSA-N 391.515 4.684 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc12 170612618 FIOPKCKLIVGWQS-HNNXBMFYSA-N 385.876 4.656 0 50 GJAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 187514988 JQELHKZKFHUXBB-LBPRGKRZSA-N 394.302 4.832 0 50 GJAA Fc1ccc(Cn2cc(CNCc3ccc(F)cc3C(F)(F)F)cn2)cc1 189042482 KMWQWTLGAMCSOO-UHFFFAOYSA-N 381.348 4.518 0 50 GJAA CCCCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 225538321 OEMNQKHEYLBYHN-UHFFFAOYSA-N 391.876 4.835 0 50 GJAA O=C(CCCc1nccs1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 239475443 AOIXBWNYNANXKJ-UHFFFAOYSA-N 382.451 4.891 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc2ccccc2c1 1117987 ZPFSDBDDMOQEHT-UHFFFAOYSA-N 389.234 4.952 0 50 GJAA CCCCc1ccc(NC(=O)c2ccccc2I)cc1 2181356 QHSCDHGYYSDKNB-UHFFFAOYSA-N 379.241 4.886 0 50 GJAA Cc1ccc(CONC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 2792472 ASCNKFWUVHBNFH-UHFFFAOYSA-N 377.440 4.517 0 50 GJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(Br)c1 2979483 JUVBDDVQRAPPFM-UHFFFAOYSA-N 385.286 4.729 0 50 GJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 4173599 WGJPJGKEZHWTNX-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA FC(F)(F)c1ccccc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 19771271 AHNGZRXQNOSBIN-UHFFFAOYSA-N 378.482 4.648 0 50 GJAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1 19831772 QQQRRUQDJOHBQB-UHFFFAOYSA-N 398.550 4.596 0 50 GJAA OCC1CCN([C@H]2CCCN(Cc3cccc4c3sc3ccccc34)C2)CC1 22929060 KUMMQKNFYDGUKT-FQEVSTJZSA-N 394.584 4.723 0 50 GJAA Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)c1 28292496 KTEKPLTUSYMJRE-UHFFFAOYSA-N 384.838 4.795 0 50 GJAA CC(C)c1nc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)ccc2o1 95508360 NETWLXANFHIECM-AWEZNQCLSA-N 380.444 4.604 0 50 GJAA C[C@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100633792 UVNVIINRUYTRNB-MZUOZXTGSA-N 379.843 4.834 0 50 GJAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)C1C4=CC3C=C1CCCCCC4)C2 101092992 IJZKVGUQGDEYII-HCFOXOCWSA-N 395.547 4.515 0 50 GJAA CCc1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)n1 113252055 LNWAXYBBDFNZRG-UHFFFAOYSA-N 382.317 4.589 0 50 GJAA Cc1noc(-c2ccccc2)c1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 155138460 VROZPKFAJFXJNB-FQEVSTJZSA-N 391.471 4.554 0 50 GJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 239121175 JLZPIYNQRVMYFT-BECHRVIWSA-N 385.463 4.653 0 50 GJAA O=C(NCc1nc(-c2ccccc2)cs1)c1cc(-c2ccc(F)cc2)on1 1441714331 UULKWKJXTJNERS-UHFFFAOYSA-N 379.416 4.534 0 50 GJAA CCNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 753734 YOHHCVFLKQDJRJ-UHFFFAOYSA-N 389.381 4.714 0 50 GJAA biogenic O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCc2ccccc21 815275 OMJXIVBRMWKUHU-UHFFFAOYSA-N 390.393 4.537 0 50 GJAA Cc1ccc(C)c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c1 911081 OQIPURBFPIQVKF-CQSZACIVSA-N 377.724 4.903 0 50 GJAA COc1ccccc1N[C@@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 971150 BWLAWKJBJUWTRM-INIZCTEOSA-N 387.694 4.542 0 50 GJAA O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc2ccccc12 1178500 DVVXMAYOZDXYFT-UHFFFAOYSA-N 385.286 4.729 0 50 GJAA CCCOC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 1778612 STRDJFLGBASYPX-UHFFFAOYSA-N 386.249 4.703 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 2120998 APCQCNMGYMXUTI-UHFFFAOYSA-N 396.270 4.886 0 50 GJAA O=C(NCc1cccs1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2503081 NPMAUCPTVZSZQC-UHFFFAOYSA-N 388.448 4.622 0 50 GJAA COCCSc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 2865321 ULZOFHMDGMDSAQ-UHFFFAOYSA-N 377.535 4.577 0 50 GJAA COc1cc(C(C)=O)ccc1OCCCN1CCC(Cc2ccccc2)CC1 4832224 JVCHEYDOWQHMLE-UHFFFAOYSA-N 381.516 4.621 0 50 GJAA COc1ccc(-c2csc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)cc1 5489894 YYRAPPHZMUQHIP-UHFFFAOYSA-N 380.494 4.844 0 50 GJAA O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Br)cc1)CCCC3 5595926 HGQSRTCHMCGLNJ-UHFFFAOYSA-N 393.331 4.751 0 50 GJAA in-vitro COC1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 12385707 HYGZJZIMWVTRIO-UHFFFAOYSA-N 379.479 4.598 0 50 GJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCC(CCC(=O)N2CCCC2)CC1 12465414 NFJUWZMGICIXKX-KRWDZBQOSA-N 396.497 4.751 0 50 GJAA Cc1ccc2c(c1)CN(Cc1cccc(OCCO)c1)C[C@H](c1ccsc1)O2 15000410 IIKHHGQWPGKFNP-HSZRJFAPSA-N 395.524 4.564 0 50 GJAA Fc1ccc(CC[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1 71767625 YHJFCXOGDKRERO-NRFANRHFSA-N 381.539 4.530 0 50 GJAA CN(Cc1ccccc1)C(=O)CCC1CCN(c2ccc3ccccc3n2)CC1 96152275 QGBSIDLRKJBYLZ-UHFFFAOYSA-N 387.527 4.890 0 50 GJAA C[C@@H](C(=O)N1CCn2cccc2[C@H]1c1ccccc1)n1ccnc1-c1ccccc1 134196643 JBDVSPOSGPUKOI-WMZHIEFXSA-N 396.494 4.544 0 50 GJAA CCN(CC)C(=O)CCC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 182556841 FFEJYXSUPANDCH-UHFFFAOYSA-N 385.577 4.671 0 50 GJAA Cc1cc(C)nc(-c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2)c1 299797425 NSEWAGYLGRPNLT-KRWDZBQOSA-N 388.467 4.628 0 50 GJAA Cc1nnc(-c2ccc(C(=O)N3CC[C@H](C(F)(F)F)c4ccccc43)cc2)o1 492309674 PDJGNRGWJYYJCI-INIZCTEOSA-N 387.361 4.741 0 50 GJAA O=C(NCc1csc(-c2cccs2)n1)c1ccc([C@@H]2CCCO2)s1 828166470 UQZCCDNDRGDRRS-LBPRGKRZSA-N 376.528 4.715 0 50 GJAA CSc1ccc2c(C)cc(N3CCC[C@H](CNC(=O)c4ccoc4)C3)nc2c1 952977075 WPTHHPOYRMNCFW-MRXNPFEDSA-N 395.528 4.505 0 50 GJAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(F)cc2Cl)c1 1506430293 ANQKBPRGBNVWDI-IBGZPJMESA-N 375.871 4.538 0 50 GJAA CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3o2)cc1 1072016 GLRIOZVRDWYPQD-QGZVFWFLSA-N 384.457 4.514 0 50 GJAA CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 1166259 BURDFCCVHHKNNJ-UHFFFAOYSA-N 376.847 4.889 0 50 GJAA O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccccc1 2859354 NOINJJBEPLBCPU-NRFANRHFSA-N 385.394 4.678 0 50 GJAA Clc1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1 4576759 ZIAJPIJQDUGKDT-UHFFFAOYSA-N 382.588 4.662 0 50 GJAA O=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(Cl)cc1Cl 5763476 MAEWBHPRDHUYOQ-UHFFFAOYSA-N 378.230 4.639 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)Cc1nccn1C 20781990 CXQIZTDDXSTFDZ-UHFFFAOYSA-N 388.471 4.808 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)no2)cc1 35476320 PQRZUDHAISANLO-IBGZPJMESA-N 382.847 4.981 0 50 GJAA Cc1ccc2c(C(=O)N3CCC(F)(F)CC3)cc(-c3cnn(C(C)C)c3)nc2c1 63856788 XZBHPBKZJXSLCS-UHFFFAOYSA-N 398.457 4.859 0 50 GJAA CCc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)on1 71764401 YBRZDLNYVISQPS-AWEZNQCLSA-N 380.410 4.741 0 50 GJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@H]4C)c3C)C2)cc1 239025574 BUMIRAJIDGSMQV-IBZMOEQTSA-N 379.500 5.144 0 50 GJAA O=C(Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@H]12)c1ccsc1 253414031 WGWOYPOCDLSKKG-MAUKXSAKSA-N 387.574 4.752 0 50 GJAA biogenic O=C(c1cccc(-c2ccccc2C(F)(F)F)c1)N1CCC(CCO)CC1 299794136 JDOMHLVDCQFISK-UHFFFAOYSA-N 377.406 4.607 0 50 GJAA O=C(NC1CCC(O)(c2ccccc2)CC1)[C@H](F)c1ccc(C(F)(F)F)cc1 801691633 XLQRHQNUTYKYBI-QPIRBTGLSA-N 395.396 4.663 0 50 GJAA O=C(CCc1ccc(-c2cccs2)o1)N(Cc1ccccn1)C[C@H]1CCCO1 952977885 JRFGILKVYUAFSW-LJQANCHMSA-N 396.512 4.544 0 50 GJAA CC[C@@H]1COCc2nnc(-c3csc(-c4ccc(Cl)cc4Cl)n3)n21 1772813185 VAPIHKIVRYLXCK-SNVBAGLBSA-N 381.288 4.857 0 50 GJAA CCCCCc1sc(NC(=O)c2ccc3c(n2)CC[C@@H](C)C3)c(C(N)=O)c1C 1875354832 QGCJEIGXPXPOOS-CYBMUJFWSA-N 399.560 4.660 0 50 GJAA O=C(Oc1ccc2ccc(OC(=O)N3CCCCC3)cc2c1)N1CCCCC1 789074 JUBPVJUHNPMEDU-UHFFFAOYSA-N 382.460 4.809 0 50 GJAA CCOC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 821053 LYHKRGXUYRBKPJ-UHFFFAOYSA-N 385.467 4.873 0 50 GJAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1Cl 848488 HIDONTVELLKHIW-UHFFFAOYSA-N 386.588 4.809 0 50 GJAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Oc2ccccc2)cc1 921904 PYZYZCIICKDLAH-FQEVSTJZSA-N 390.464 4.921 0 50 GJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Br)c1 1144847 JJHDSRZVXFDTEJ-UHFFFAOYSA-N 396.697 4.710 0 50 GJAA FC(F)(F)c1cc(Cl)c(I)c(Br)c1 2168604 RDWKEGGZLPOJAE-UHFFFAOYSA-N 385.348 4.726 0 50 GJAA O=C(C[C@]1(C(F)(F)F)NN=C(c2ccccc2)S1)c1ccc(Cl)cc1 2188996 HVQHWVXRAYSSOA-INIZCTEOSA-N 384.810 4.870 0 50 GJAA Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)c(C)c1Cl 2761075 JVIMXAWCENSIBQ-UHFFFAOYSA-N 382.222 4.839 0 50 GJAA CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Oc1cc(C)ccc1Cl 6656041 KAJBMEXZZFJBGM-LBPRGKRZSA-N 381.881 4.601 0 50 GJAA O=C(CSc1ccccc1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 11999713 VPRVZTMBKDDJIS-UHFFFAOYSA-N 384.888 4.672 0 50 GJAA Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 13122578 LQQXZIJRHRFAGZ-YADHBBJMSA-N 398.491 4.861 0 50 GJAA aggregator CCn1c(SCc2nc3ccccc3[nH]2)nc2sc3c(c2c1=O)CCCC3 13282023 DILURCXKNHRZNY-UHFFFAOYSA-N 396.541 4.525 0 50 GJAA CC(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)N1c2ccccc2C=Cc2ccccc21 13634693 LRBAWALDLNDBOP-WCRBZPEASA-N 388.467 4.987 0 50 GJAA S=C(Nc1cccc(Cl)c1Cl)NC1CCN(Cc2ccccc2)CC1 13828132 WPNCEUSBTRQOHS-UHFFFAOYSA-N 394.371 4.944 0 50 GJAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)cc1C 14980806 ISHMBWYPFRAMKM-OAQYLSRUSA-N 388.515 4.580 0 50 GJAA COc1ccc([C@@H]2N=C(c3ccc(C)cc3)[C@H]3[C@@H](c4ccccc4)N23)cc1OC 25504066 LYAALMLMHYRNEQ-AGQBYSPFSA-N 384.479 4.939 0 50 GJAA CCc1ccc(-c2c(-c3ccccc3)ncn2[C@H](COC)c2ccccn2)nc1 65372249 HJCDVAPOZSQVFH-JOCHJYFZSA-N 384.483 4.805 0 50 GJAA CCn1nc(CC(C)C)cc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 91621461 YCCJLWKZPQSDPH-UHFFFAOYSA-N 377.891 4.699 0 50 GJAA COc1ccccc1[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)c1noc(C)n1 119863765 COIJNFCUOHQYRE-IBGZPJMESA-N 394.475 4.595 0 50 GJAA FC(F)(F)c1cccc([C@@H](NCc2nc(Cc3ccccc3)no2)C2CC2)c1 180061334 VIVUHVFTOSYHIG-FQEVSTJZSA-N 387.405 4.920 0 50 GJAA Cc1c(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cnn1C1CCCC1 193393366 XIBGENUWWWSHKO-IBGZPJMESA-N 384.480 4.508 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 194342221 RRPZCVMHCPKCOH-SFHVURJKSA-N 389.377 4.792 0 50 GJAA CC[C@@H](O)c1nccn1CC(=O)c1c(-c2ccccc2)n(CC)c2ccccc12 239352444 ACEXMSSXJCQFNX-HXUWFJFHSA-N 387.483 4.851 0 50 GJAA CC(C)c1n[nH]cc1-c1cccc(C(=O)N(C)CCCOc2ccccc2)c1 426612433 LNGVEMMWLXSAHL-UHFFFAOYSA-N 377.488 4.741 0 50 GJAA CC[C@@H](C)[C@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345138 SWRDSHMPDIJHOC-XIKOKIGWSA-N 399.422 4.563 0 50 GJAA C[C@H](COc1ccccc1)OC(=O)/C=C/c1ccc(OCc2cccnc2)cc1 2325729300 OVJSSFJFUURZNJ-FIIODCPWSA-N 389.451 4.685 0 50 GJAA CCCC[C@@H]1CN(Cc2ccc(-c3ccc4c(c3)C(=O)OC4)o2)C[C@H](C2CC2)O1 2356149599 LHFYRZXUFTWJRO-AUSIDOKSSA-N 395.499 4.787 0 50 GJAA CCOC(=O)c1cnn2c1N[C@H](c1ccc(C(C)C)cc1)C[C@H]2C(F)(F)F 1071566 YTHKWYQPULVTLD-HOTGVXAUSA-N 381.398 4.844 0 50 GJAA c1ccc(CCNc2ncnc3scc([C@@H]4COc5ccccc5O4)c23)cc1 1109133 WTYPTWTYRSIYOG-IBGZPJMESA-N 389.480 4.858 0 50 GJAA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 1117365 OOJMDDSFIHXCIL-UHFFFAOYSA-N 397.500 4.523 0 50 GJAA O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(Cl)c1 1146108 VVUPZZSROOGNEE-UHFFFAOYSA-N 378.859 4.565 0 50 GJAA Cc1c(C=O)[nH]c([C@@H](C)c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C)c1C 2519671 DEXBNZVJKOQGKH-QGZVFWFLSA-N 378.472 4.898 0 50 GJAA Fc1ccc(-c2csc3ncnc(NCc4ccc5c(c4)OCO5)c23)cc1 8064125 QGYLTGSHWIGJJD-UHFFFAOYSA-N 379.416 4.838 0 50 GJAA in-vitro Cc1cccc(C)c1Oc1ncccc1CNC(=O)CCc1scnc1C 11937556 PDQYDJCSKDGSBJ-UHFFFAOYSA-N 381.501 4.505 0 50 GJAA CN(CCc1ccccc1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 12056261 HCGNPVDVOGUNBF-UHFFFAOYSA-N 388.442 4.872 0 50 GJAA Cc1c([C@@H](C)NC(=O)C2(c3ccccc3)CCCCC2)cnn1-c1ccccn1 12434611 MOYGXGLYAUXSBG-GOSISDBHSA-N 388.515 4.655 0 50 GJAA Cc1ccc(CNc2nc(CN(C)[C@H](C)c3ccon3)nc3ccccc23)cc1 14882978 CPAMDNLXIUEJJW-QGZVFWFLSA-N 387.487 4.731 0 50 GJAA CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccco3)ccc21 16648497 LLCDWBQZJMRWJH-UHFFFAOYSA-N 380.492 4.524 0 50 GJAA Cc1cc(C)c2c(C(=O)N3CCCCC3)cc(-c3cnn(C(C)C)c3)nc2c1 63845540 NIAJPQKKVPVTLK-UHFFFAOYSA-N 376.504 4.922 0 50 GJAA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCCC[C@@H]3C)c2C)cn1 63869945 FDKBGVCJCIKTGP-INIZCTEOSA-N 376.504 4.750 0 50 GJAA CCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1ccccc1C(F)(F)F 65407318 UPTNVMBTIVVZJQ-LBPRGKRZSA-N 392.377 4.537 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)ccc1F 65422063 WSJXMNYAKATXFO-HNNXBMFYSA-N 376.435 4.708 0 50 GJAA CCCCN(Cc1ccccc1C)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91620926 KHHUFTKFKTZXAV-UHFFFAOYSA-N 377.488 4.836 0 50 GJAA CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ncccc1F 130925693 VGBNWXQYWTZPDG-UHFFFAOYSA-N 378.375 4.827 0 50 GJAA COc1cccc(-c2ccc(C(=O)Nc3ccc4nc([C@H](C)O)[nH]c4c3)cc2)c1 952972492 GZYLRBMZRWJYGO-AWEZNQCLSA-N 387.439 4.544 0 50 GJAA CCn1nc(-c2cccc(F)c2)nc1[C@@H]1CCCN(Cc2scnc2C)CC1 1857702616 PCXQKLFNNSSGSM-MRXNPFEDSA-N 399.539 4.639 0 50 GJAA CC1=CC2(CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)OCC1 2356141916 WECDUEUBUXMLFQ-UHFFFAOYSA-N 377.484 4.607 0 50 GJAA Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 625357 WLVTWBWPGZYBIV-UHFFFAOYSA-N 378.906 4.542 0 50 GJAA COc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C 944896 CPNARNXRVHEKID-UHFFFAOYSA-N 392.293 4.773 0 50 GJAA CCOc1ccccc1C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1 2794545 IXPJUQLPERYXNV-UHFFFAOYSA-N 389.860 4.992 0 50 GJAA Cc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)sc1C 2849388 IUTYGAXUOFIQEY-UHFFFAOYSA-N 397.338 4.837 0 50 GJAA COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2862443 QNHYCYFGHFRKMX-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cn1 4881058 YQGVFKDAYYSNRS-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA CC(C)CCCN1CC[C@H](N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)CCC1=O 12242324 BESKPXOMKCVXMF-PZJWPPBQSA-N 396.579 4.887 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cccn2-c2cccnc2)c1C 12318570 XDYDWVRZKWWNCV-HSZRJFAPSA-N 397.526 4.842 0 50 GJAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@H](C(=O)CC(C)C)C1 12758026 AUPFLBDMBWPGAU-HNNXBMFYSA-N 376.447 4.755 0 50 GJAA O=C(c1ccc(Cl)cc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17080338 AWQPIOGKEILUNB-UHFFFAOYSA-N 393.358 4.720 0 50 GJAA O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 18241676 MXRXDRZOWNMNPP-SFTDATJTSA-N 399.446 4.739 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CC[C@H](c4ccccc4F)C3)c(C)o2)cc1 23130734 LFWFXJRRQIKWPC-SFHVURJKSA-N 394.446 4.565 0 50 GJAA CC1(C)C[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 44918584 JDEGGJCTIVLWNV-OAQYLSRUSA-N 378.516 4.705 0 50 GJAA CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 66099084 KLFVWQCQUXXLOU-UHFFFAOYSA-N 378.394 4.957 0 50 GJAA in-vitro COc1ccc(-c2nsc(NC(=O)c3cc(C)c(F)cc3Cl)n2)cc1 129688954 FEWNVFVURVPGOI-UHFFFAOYSA-N 377.828 4.567 0 50 GJAA COc1ccc(OC(C)C)c(NC2CCC3(CC2)C(=O)Nc2ccccc23)c1 179795163 CQWMOYFCISKKNI-UHFFFAOYSA-N 380.488 4.727 0 50 GJAA Cc1cc(C)nc(CN(C)C(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)c1 299795849 MNNIDTPZSLXJGM-UHFFFAOYSA-N 384.430 4.538 0 50 GJAA CSCC[C@@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334160866 NWMAPYDQJZGYLO-MOPGFXCFSA-N 384.549 4.562 0 50 GJAA CCOc1ccc(CN(C(=O)c2ccc(-c3cc(N)ccn3)cc2)C2CC2)cc1 426599827 YCXOJUPXCBVEAE-UHFFFAOYSA-N 387.483 4.534 0 50 GJAA CC(C)(C)OC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 729574542 YVMJSXLCROYKDA-HWDJUHOGSA-N 385.508 4.980 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(CSc3ccccn3)cc2)on1 952991900 UPSLHGYGSKOINB-GOSISDBHSA-N 379.485 4.648 0 50 GJAA CCc1ccc([C@H](NC(=O)c2cc(C)nn2C2CC2)c2cccc(F)c2)cc1 2325828862 UBTAGTQOYKHYOU-QFIPXVFZSA-N 377.463 4.747 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c(OC)c1 652463 CZAIJUPKJKRLMB-UHFFFAOYSA-N 376.456 4.545 0 50 GJAA O=C(Nc1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 793418 SQOYFOGAIQLYLX-UHFFFAOYSA-N 383.801 4.713 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 847212 WLSMTDORUUFTOK-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 1141359 SVAJTSIKIFBMKB-AWEZNQCLSA-N 395.355 4.823 0 50 GJAA Cc1c(C(=O)NC(=S)Nc2ccc(Br)cc2)oc2ccccc12 1178559 SGOVKFVZKCOAIK-UHFFFAOYSA-N 389.274 4.631 0 50 GJAA CCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1203998 VCIXMTOLFWIRLL-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA CCCCc1ccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)cc1 1927641 APGOGTBNIXAXJQ-UHFFFAOYSA-N 388.471 4.675 0 50 GJAA Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)cc1F 2796527 FBYOPRDWEOJBNK-UHFFFAOYSA-N 394.233 4.926 0 50 GJAA COc1ccc(N2C(=O)/C(=C\Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 2869606 CXGIOKJSWREWJV-JCMHNJIXSA-N 398.462 4.952 0 50 GJAA CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 2875534 LAAFTLYEYMTSTM-UHFFFAOYSA-N 392.727 4.625 0 50 GJAA Cn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 2884546 KXBIZEYOSAJCRW-UHFFFAOYSA-N 383.860 4.857 0 50 GJAA COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 4728797 ZMSJUIDGUGADNU-WYMLVPIESA-N 384.435 4.579 0 50 GJAA O=C(Nc1ccc(-c2noc(-c3ccccn3)n2)cc1)c1cccc(Cl)c1 6701751 SCYOWKVHCZUDAF-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cccs2)CC1 12210732 SRRMBOAVLKKTFN-UHFFFAOYSA-N 385.529 4.557 0 50 GJAA CCCCNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12715731 CKIDQEVZQROLMP-UHFFFAOYSA-N 378.944 4.656 0 50 GJAA CSc1ccccc1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(C)cn3)c2O1 14987033 RZNVLRKDWNIOFI-KRWDZBQOSA-N 390.508 4.512 0 50 GJAA CO[C@H](c1ccc2c(c1)CN(C(=O)CCc1ccco1)CCO2)C1CCCCC1 14997127 DSIYKNZKMHGIID-DEOSSOPVSA-N 397.515 4.901 0 50 GJAA CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC(C)C)C1=O 15010665 MSPJYWJXAIRZDM-ZSOIEALJSA-N 384.295 4.540 0 50 GJAA CC(=O)c1cc(CN[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cs1 15062244 NHAADDZTSITURT-SFHVURJKSA-N 387.455 4.582 0 50 GJAA CCN1CCN(CCCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 20406452 PKCRBQYQWNJQNH-UHFFFAOYSA-N 386.967 4.727 0 50 GJAA c1cncc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c1 55228098 KPMYXFLCQWSMNI-HSZRJFAPSA-N 378.564 4.524 0 50 GJAA Fc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1Br 55543745 ZPMXMUUQZYKBDJ-UHFFFAOYSA-N 383.692 4.564 0 50 GJAA Cc1ccc(F)cc1NC(=O)c1cccc(CN(C)[C@H](C)c2ccccn2)c1 65424393 KYMSZNHYFRGPGW-QGZVFWFLSA-N 377.463 4.974 0 50 GJAA O=C(Oc1cccc2cccnc12)c1nn(CCCCCF)c2ccccc12 97758839 DZNDVBLSHUYZLI-UHFFFAOYSA-N 377.419 4.944 0 50 GJAA in-vitro Cc1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)c(-c2nc(C3CC3)no2)c1 175066816 BDVANECICQGVOA-CQSZACIVSA-N 377.448 4.542 0 50 GJAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 221951388 CWJJTVYXPPRHAO-ZHPNZGNWSA-N 385.891 4.860 0 50 GJAA COC(=O)c1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc2[nH]ccc12 425984280 HETMBCJUUOIJDM-MRXNPFEDSA-N 390.361 4.629 0 50 GJAA O=C(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCCC2(CCOCC2)C1 426518003 XNGZWJWKEVVJMO-UHFFFAOYSA-N 386.495 4.935 0 50 GJAA COc1c(Cl)cccc1CNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 1478107924 AJLDGPSHNMXCCT-OAHLLOKOSA-N 395.890 4.971 0 50 GJAA O[C@@H]1CN(Cc2ccc(C3CCCC3)s2)C[C@H]1Cc1ccc2ccccc2n1 1529101684 LPQDNJWIRYYNLZ-AUSIDOKSSA-N 392.568 4.989 0 50 GJAA O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1Cl 13956541 OFFFGPGKUSXHDB-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA Cc1cccc(-c2nc(CN(Cc3ccccn3)C[C@@H]3CCCO3)c(C)o2)c1 55042357 CUZYXMWFJRWURM-NRFANRHFSA-N 377.488 4.535 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)n1 64801424 COXXQFZNXIYTMI-UHFFFAOYSA-N 380.427 4.744 0 50 GJAA Oc1cccc(CC[C@@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)c1 215270044 FWUDKOLIGNJLDU-QHCPKHFHSA-N 375.516 4.624 0 50 GJAA CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 225504031 BJRLDCDFCDWOCT-VBKFSLOCSA-N 386.451 4.542 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(c4nc(-c5ccccc5)no4)C3)C2)c1 426486014 SXOMMIYHCNSKSR-DEOSSOPVSA-N 388.515 4.538 0 50 GJAA CC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2-c2cccc(Cl)c2)CC(=O)N1 447626206 IBJBEWIFVHKKGQ-XJKSGUPXSA-N 391.298 4.904 0 50 GJAA c1ccc(-n2cc(CN(Cc3ccc([C@H]4CCCCO4)o3)C3CC3)cn2)cc1 820408737 VCUVTLDJKKFLCI-JOCHJYFZSA-N 377.488 4.872 0 50 GJAA COc1ccc(-c2nc(NC(=O)c3n[nH]c4ccc(C)cc34)sc2C)cc1 1875254145 JAFVDNZMQRNVOB-UHFFFAOYSA-N 378.457 4.564 0 50 GJAA NC(=O)c1c(C2CCCCC2)csc1NC(=O)Cc1cnc2ccccc2c1 2325740748 XXHYHBRHIPCPRL-UHFFFAOYSA-N 393.512 4.624 0 50 GJAA O=C(NCc1cc(C(F)(F)F)cs1)Nc1ccc2c(c1)C(=O)CCCC2 2325861887 BMAGNRYUHNRMFG-UHFFFAOYSA-N 382.407 4.998 0 50 GJAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc(CSc4ccccc4)o3)C[C@H]21 2356166171 WGHBRLDZXWVURB-NBCNXNJRSA-N 385.529 4.585 0 50 GJAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1C 637664 WKIGKXQXKFFWIN-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 882170 DZJMIBJUKRPTLQ-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 954886 CMSUYUKEKDZATJ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](N)C(=O)O 4899685 XSOLHQWRHYIXOC-NRFANRHFSA-N 391.536 4.902 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)C2CCCC2)C1 12387115 SVCMJPBAHRVYKE-HXUWFJFHSA-N 394.490 4.860 0 50 GJAA CCOC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2Cl)c1 20169069 GOJRWFVGPWPAKS-UHFFFAOYSA-N 397.656 4.923 0 50 GJAA O=C(Nc1cccc2cccnc12)c1nn(CCCCCF)c2ccccc12 96024560 GMRIDDSOZRLMAN-UHFFFAOYSA-N 376.435 4.977 0 50 GJAA in-vitro Cc1c(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)ccn1CCC(C)C 409413415 LEMUVEKAWAEPNK-UHFFFAOYSA-N 397.302 4.527 0 50 GJAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 736116010 DMFFXBAXDGTVKS-TUMZOIKCSA-N 389.495 4.934 0 50 GJAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cc(CN2CCCC2)cs1 952975041 RHTFMSUEFNOLMA-UHFFFAOYSA-N 398.551 4.575 0 50 GJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccccc1Br 1875323032 TVOITMKEEFARST-UHFFFAOYSA-N 399.306 4.657 0 50 GJAA Cc1n[nH]cc1C1CCN(c2nc3c(F)cc(Br)cc3s2)CC1 2325861940 DEMOUYJCOUJBJT-UHFFFAOYSA-N 395.301 4.613 0 50 GJAA O=C(NCCC1=CCCCC1)c1ccc(C(=O)NCCC2=CCCCC2)cc1 670590 IVDFOGVYOATRLF-UHFFFAOYSA-N 380.532 4.927 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@H](C)C3)cc1 708177 ZDMHPWRPFKPADV-HNNXBMFYSA-N 382.529 4.670 0 50 GJAA O=C(OCC(=O)c1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 992858 OPWSDQZJKYLXJU-UHFFFAOYSA-N 380.827 4.959 0 50 GJAA Brc1c(OCc2nc(-c3ccccn3)no2)ccc2ccccc12 1124499 MLENKGWNPFTSKQ-UHFFFAOYSA-N 382.217 4.626 0 50 GJAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2c(Cl)cccc2Cl)cc1 3623706 HYXDNYCVDDLFJV-INIZCTEOSA-N 396.270 4.728 0 50 GJAA O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCc2ccccc21 5604759 GPVSTQZXXDLITH-UHFFFAOYSA-N 376.692 4.788 0 50 GJAA Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 7651745 GQJVFQXVJQGQBM-UHFFFAOYSA-N 384.907 4.756 0 50 GJAA COc1ccc(OCc2cc(C(=O)NCCC3=CCCCC3)no2)c(Cl)c1 14957605 IMORJUZMNMEWQH-UHFFFAOYSA-N 390.867 4.536 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O 15010808 IDZQPZOWCQJEEF-YBEGLDIGSA-N 389.860 4.681 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc3nccnc23)C1 15070716 VVTPJYMHIJGARE-KRWDZBQOSA-N 399.416 4.744 0 50 GJAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1Cc1ccccc1CN(C)C 67605699 FYOOBYKZCHRFSO-UHFFFAOYSA-N 385.515 4.667 0 50 GJAA CCc1[nH]c2c(CNc3cc(C(=O)N4CCCCC4)ccn3)cc(C)cc2c1C 71760461 SMTZYWPPQFRDBB-UHFFFAOYSA-N 390.531 4.980 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1Oc1ccncc1 115372441 FACKFPUQJZHZBX-HXUWFJFHSA-N 390.487 4.510 0 50 GJAA O=C(Nc1nc(-c2ccccc2)ns1)c1cc(Cl)ccc1Br 120386418 KYAUYLGRHOTPSZ-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@@H](c2cccc(O)c2)C1 135402975 IXEQOPZPYCNHLG-XMMPIXPASA-N 387.479 4.514 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H]1CCO[C@H](C)C1)CC2 170592986 VIBMWMUNMXVJMU-XCGNWRKASA-N 387.545 4.528 0 50 GJAA Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 170631696 CJCSTTPJIXATKB-UNMCSNQZSA-N 392.455 4.585 0 50 GJAA O=C(CSc1cc(=O)oc2ccccc12)Nc1cccc(C(F)(F)F)c1 214075167 JZACXADDJOZREB-UHFFFAOYSA-N 379.359 4.543 0 50 GJAA Cc1nc2c(NC(=O)N[C@H](CCO)c3ccccc3)c(Cl)ccc2s1 225850042 PTTAQFCYMCJMJO-CQSZACIVSA-N 375.881 4.503 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 239297310 FAKJIRFROJOYFJ-YXUGBTPSSA-N 388.294 5.176 0 50 GJAA Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)sc1-c1ccccc1 952967641 LPHHTGFFDZJUGX-FQEVSTJZSA-N 392.524 4.940 0 50 GJAA COC(=O)Cn1c2c(c3cc(C)ccc31)CCC[C@@H]2N[C@@H](C)c1ccccc1 978477 IPVYABONDHEMAS-UWJYYQICSA-N 376.500 4.851 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1)c1ccnn1S(=O)(=O)c1ccc(Cl)cc1 1399911 HMFRSZJRMIDRGJ-GFCCVEGCSA-N 397.283 4.567 0 50 GJAA Cc1cc2nc(SCCNC(=O)c3ccc(Cl)cc3)nc(C)c2cc1C 2207152 KNYNAIHPQRUCHJ-UHFFFAOYSA-N 385.920 4.731 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2cccc(OC(C)C)c2)sc2c1CCC2 2750482 KGGMIQRIPOISSR-UHFFFAOYSA-N 387.501 4.842 0 50 GJAA CCCCOC(=O)c1c(N)n(-c2ccc(C)cc2C)c2nc3ccccc3nc12 3321986 TVWLUHGJCPUYRU-UHFFFAOYSA-N 388.471 4.730 0 50 GJAA Cc1cccc(Cc2nnc(NC(=O)c3ccc(OCC(C)C)cc3)s2)c1 5013268 JYNKNVGWBCGDSA-UHFFFAOYSA-N 381.501 4.724 0 50 GJAA Cc1nc2ccccc2c2nc(NC(=O)c3sc4ccccc4c3Cl)nn12 5712599 XUTNBIPKLNRJDV-UHFFFAOYSA-N 393.859 4.706 0 50 GJAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6399156 MWSWUTDFJGUFHS-QGZVFWFLSA-N 394.902 4.609 0 50 GJAA COc1ccc(CCn2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)cc1 17078985 UBBMCZJTZAGIIH-UHFFFAOYSA-N 386.542 4.641 0 50 GJAA Cc1nc(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)c(C)o1 71750706 MWEKCZFWTLDRMW-OAHLLOKOSA-N 380.410 4.795 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1)NCc1ccc(F)c(F)c1 95529230 ATVJEHDOJMSLTE-AWEZNQCLSA-N 396.865 4.520 0 50 GJAA O=C(Nc1ccccc1)C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 123713946 WKEJUCQHXMRWJI-UHFFFAOYSA-N 394.490 4.515 0 50 GJAA O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccncc1Cl 170646514 USKJAPYKYXEQFF-UHFFFAOYSA-N 387.770 4.538 0 50 GJAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 225619831 GTONWRGPAFNSKN-CRAIPNDOSA-N 377.488 4.981 0 50 GJAA Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)o1 226851968 KBVPLVCXWSYUCV-HXUWFJFHSA-N 391.423 4.643 0 50 GJAA Cc1sc(CCNC(=O)c2ccc(C(F)(F)F)nc2)nc1-c1ccccc1 409656762 KUUMERXXVOKONA-UHFFFAOYSA-N 391.418 4.505 0 50 GJAA O[C@H]1CC[C@H](N[C@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 467734440 RMXVIECRQDGUPD-QWFCFKBJSA-N 392.312 4.765 0 50 GJAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nc4cccc(C)c4[nH]3)n[nH]2)cc1 825180611 GFQYGJOPYQMWBW-FQEVSTJZSA-N 385.471 4.547 0 50 GJAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(Cl)c(Cl)c1 2325825178 HNRQDAIEBOSCMA-UHFFFAOYSA-N 392.261 4.506 0 50 GJAA COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1OC 753234 YQTGNVDHCNBVQP-UHFFFAOYSA-N 375.472 4.818 0 50 GJAA Nc1c(C(=O)NCCc2ccccc2F)sc2nc(-c3cccs3)ccc12 1125808 BXRNLMHUEJUONW-UHFFFAOYSA-N 397.500 4.719 0 50 GJAA COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)C(C)(C)C)ccc23)cc1 1164943 IGBWGMJDYXINMZ-UHFFFAOYSA-N 380.440 4.771 0 50 GJAA O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 1452638 JQMBNNLFHSDNHV-AWEZNQCLSA-N 378.086 4.878 0 50 GJAA N=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1nccs1 4548807 RZQXBOVCRYBWPJ-CLFJUMGRSA-N 389.408 4.737 0 50 GJAA CC(C)(C)c1cc(Br)c(OCCCC(=O)O)c(Br)c1 5175415 LZDUAIKTZJPKGV-UHFFFAOYSA-N 394.103 4.753 0 50 GJAA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 9040963 HYBQILQPKIVEHZ-HSZRJFAPSA-N 399.425 4.974 0 50 GJAA CC(C)n1cc(CN(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cn1 11702585 SCOTUYMYTMKCTA-FQEVSTJZSA-N 388.987 4.504 0 50 GJAA O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 11789469 LGASKPFIYGLKTF-VEGGFIAOSA-N 393.437 4.774 0 50 GJAA Cc1occc1C(=O)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 11944603 CELSGJWLDGNUFB-LJQANCHMSA-N 386.923 4.616 0 50 GJAA CC1(C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)CC1 11964783 AULKLSXIUYRIMJ-UHFFFAOYSA-N 398.510 4.712 0 50 GJAA CC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12000613 GQENRURTKVDFCI-RDGATRHJSA-N 392.543 4.602 0 50 GJAA CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19770397 BRYSGTDRSIOCPS-UHFFFAOYSA-N 386.495 4.896 0 50 GJAA COc1ccc2c(c1)C(=O)N(c1ccccc1C)C(=O)/C2=C/Nc1ccc(C)cc1 22204088 XMLGKEICMVPWHH-PXLXIMEGSA-N 398.462 4.952 0 50 GJAA Cc1ccc(C(=O)Oc2ccc([C@@H](CN(C)C)C3(O)CCCCC3)cc2)cc1 34845624 QKYBZJLEMOZFFU-JOCHJYFZSA-N 381.516 4.555 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@@H]1c1ccc(Cl)cc1 35476318 NHVSGUGLORKJEU-QGZVFWFLSA-N 396.830 4.701 0 50 GJAA Cc1ccsc1[C@@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C 67909707 HBOLUIVFUNCACN-QGZVFWFLSA-N 377.517 4.613 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(F)c(C)c3)ccc2C(=O)N2CCCCC[C@H]21 169766434 QBFPKOROSHXTAO-NRFANRHFSA-N 395.478 4.569 0 50 GJAA O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 263616416 INLQNMXGSWKWGO-GOSISDBHSA-N 381.863 4.686 0 50 GJAA c1ccc(CC2CCN(Cc3cccc(OC[C@@H]4CCCNC4)c3)CC2)cc1 299775867 KQKCXDRIAYSHMK-XMMPIXPASA-N 378.560 4.520 0 50 GJAA CC(=O)Nc1ccc(NC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)cc1 460112887 PMWXDHHPFYXAPL-UHFFFAOYSA-N 391.475 4.657 0 50 GJAA C[C@H]1CC2(CCOCC2)CN1C(=O)c1cc(-c2ccccc2)nc2ccccc12 843719476 BNBPLBJZPUQHEA-SFHVURJKSA-N 386.495 4.933 0 50 GJAA O=C(c1ccnc(NCCCSCc2ccccc2Cl)c1)N1CCCC1 1704336664 IQGIYXSPMXKNFO-UHFFFAOYSA-N 389.952 4.706 0 50 GJAA CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccc(F)cc1 1775953776 WAXVVLQFKMMDHR-UHFFFAOYSA-N 385.458 4.980 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2nccs2)n1 1875331636 QQVMPZFZJBYJTF-ZETCQYMHSA-N 386.658 4.749 0 50 GJAA O=C(/C=C/c1ccc(Br)o1)Nc1ccc(Oc2cccnc2)cc1 2325732475 JOEKSNJGBALHHL-CSKARUKUSA-N 385.217 4.881 0 50 GJAA c1ccc(-c2cc(CNc3nc(-c4ccccn4)nc4sccc34)[nH]n2)cc1 2325854304 WVLMGDBEEKXPRU-UHFFFAOYSA-N 384.468 4.756 0 50 GJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1C 941817 SRTXGFYMODHUGY-UHFFFAOYSA-N 395.480 4.918 0 50 GJAA Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 956603 FQWARILBNZFODG-ZDUSSCGKSA-N 383.542 4.855 0 50 GJAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3)on2)c1C 1060291 FHTLTCSPKGFZJN-UHFFFAOYSA-N 386.455 4.764 0 50 GJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccccc1 1081669 KHORCUBSNRJERM-UHFFFAOYSA-N 382.529 4.895 0 50 GJAA CCc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(F)cc2)cc1 1140898 HUQIKNDVXFYORQ-UHFFFAOYSA-N 376.431 4.822 0 50 GJAA CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 1212594 PWMOBSJTQUBLTG-UHFFFAOYSA-N 384.657 4.519 0 50 GJAA COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)/C2=C/Nc1ccc(C)cc1 1232224 UGPZGHYTYXMSIJ-PXLXIMEGSA-N 384.435 4.644 0 50 GJAA Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(C)c1 1268166 UEFCRVZWEFAWHT-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2OC)c1 2812182 MZIMVUMRBGMLLA-UHFFFAOYSA-N 392.908 4.654 0 50 GJAA C[C@@H](Cc1cccnc1)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1 11816976 PMFBWYZOUMMNRI-KRWDZBQOSA-N 385.939 4.797 0 50 GJAA O=C(CCc1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12440719 DAOHUXIKAAHJAJ-QHCPKHFHSA-N 387.508 4.731 0 50 GJAA Cc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)cc1C 12578673 JEUZFPRHZYURLI-XMMPIXPASA-N 398.497 4.710 0 50 GJAA Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1 13673611 DZSUJUOJJJCWGG-UHFFFAOYSA-N 375.457 4.893 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(O)c2)c(C)n1 20995544 QDTMIVJKAAYICR-DEOSSOPVSA-N 386.499 4.546 0 50 GJAA Cc1cc(C)c2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 63870165 FZLNICOZCBCBHR-KRWDZBQOSA-N 376.504 4.921 0 50 GJAA CCC[C@@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67784388 ILQBWQBGVYDCGI-MRXNPFEDSA-N 394.471 4.678 0 50 GJAA Cc1c(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)[nH]c2c(F)cccc12 215754409 HWZHIZJKFOEZRB-CQSZACIVSA-N 376.435 4.839 0 50 GJAA Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 239309870 HWHYSSATNZEECJ-XLAORIBOSA-N 398.528 4.927 0 50 GJAA Cn1ccnc1CC1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)CC1 2325750256 OCLWWUJOMBPTOW-VOTSOKGWSA-N 399.947 4.783 0 50 GJAA Cc1cc(C(=O)NCc2cccc(Br)c2C)c2c(c1)[C@@H](C)CCN2 2325842538 AEEJKEHOWQJXJM-ZDUSSCGKSA-N 387.321 4.915 0 50 GJAA CCOC(=O)c1c(C)nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12 845345 BCGBFVIHRQQHGR-UHFFFAOYSA-N 383.757 4.554 0 50 GJAA COc1cc2nnc3c(c(-c4ccccc4)nn3-c3ccccc3)c2cc1OC 848439 AFYKAYUEUNLWMH-UHFFFAOYSA-N 382.423 4.653 0 50 GJAA Cc1cc(C)c2nc(C(F)(F)F)nc(NCc3ccc4c(c3)OCO4)c2c1 937300 WBHJEIIQCOFANB-UHFFFAOYSA-N 375.350 4.606 0 50 GJAA COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 942053 GOLKCFYTQPWEDJ-UHFFFAOYSA-N 390.277 4.786 0 50 GJAA CCOC(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 986493 CQSBZFDHOCOZSI-UHFFFAOYSA-N 382.529 4.515 0 50 GJAA CC[C@@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)c1ccccc1 991670 NNTLUHREARCXAS-OAQYLSRUSA-N 387.435 4.757 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ncc3ccccc3c12 1095027 JSXHUWOJVFHXMD-UHFFFAOYSA-N 378.815 4.549 0 50 GJAA O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc12 1132502 YQSNJIYVZKJZJU-HSZRJFAPSA-N 388.854 4.604 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 2654992 UFHNXLWQMCXVMA-UHFFFAOYSA-N 387.798 4.653 0 50 GJAA COc1ccccc1NC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 9300312 FNEDQTCAVDSHOP-UHFFFAOYSA-N 384.505 4.659 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)c(OC)c1 12207059 UXSVRUARIPGQDL-QGZVFWFLSA-N 379.456 4.545 0 50 GJAA COc1cccc([C@@H](C)N(C)C(=O)c2cc(COc3cc(C)ccc3C)on2)c1 12298171 BCBXHTIHAHHNPU-QGZVFWFLSA-N 394.471 4.712 0 50 GJAA COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331644 PQYXHBOATCILFE-UHFFFAOYSA-N 378.476 4.818 0 50 GJAA Cc1nonc1[C@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 19635715 HAVQFNKGUYAOAE-MRXNPFEDSA-N 392.381 4.697 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)cc1 225494443 VMICFKJMOMIZGS-UHFFFAOYSA-N 389.842 4.804 0 50 GJAA Brc1ccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 242389393 ZWTXGXGBQLPFIR-HNNXBMFYSA-N 387.306 4.704 0 50 GJAA Cc1sc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1-c1ccc(F)cc1 252537142 KKUPXABXGYGNJC-INIZCTEOSA-N 394.471 4.718 0 50 GJAA CN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 329856248 UQEDNPDXQSHVTG-NQIIRXRSSA-N 385.483 4.589 0 50 GJAA Fc1cccc(Cl)c1COc1cccc(CN2CC(N3CCCCC3)C2)c1 826621819 CECDTEOSNNZMEA-UHFFFAOYSA-N 388.914 4.728 0 50 GJAA Cc1cc(C(=O)COC(=O)[C@@]2(C)CC[C@H](C)C2)c(C)n1CCc1ccccc1 1875343465 JZILQYROKZEOHK-XDHUDOTRSA-N 381.516 4.900 0 50 GJAA O=C(O)C[C@H](NC(=O)CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccs1 2325876911 DZLMLORJGBEYIX-AWEZNQCLSA-N 397.418 4.521 0 50 GJAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cc3ccccn3n2)CC1 2325895334 YMVCGWRBAQQWCU-QAQDUYKDSA-N 379.529 4.935 0 50 GJAA O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl 939913 VOHNMHSEMMHPMR-UHFFFAOYSA-N 385.609 4.568 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CCC2 2855571 JAQRXOCWVLTCFA-UHFFFAOYSA-N 387.501 4.554 0 50 GJAA COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(C(C)C)cc2)cc1OC 4131065 HRHHBNDZGVKHKP-QFIPXVFZSA-N 385.529 4.644 0 50 GJAA CCn1cc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(C)n1 12201220 BYDXKZTZWZRTCR-HXUWFJFHSA-N 387.527 4.558 0 50 GJAA Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 12449496 ZEWLFRQOEWEZHI-UHFFFAOYSA-N 389.430 4.533 0 50 GJAA CCN(CC)C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12701617 HQUCAVVDOIXDNI-UHFFFAOYSA-N 378.944 4.608 0 50 GJAA Cc1cc(-n2cccn2)ccc1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C 15071615 BSEBRYMMYXDPMH-KRWDZBQOSA-N 389.478 4.665 0 50 GJAA CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2Cl)CC1 44137836 HVQNGOMNKHVTBV-UHFFFAOYSA-N 390.705 4.881 0 50 GJAA COc1ccc(Cl)c(CN(C)N2C(=O)[C@H](c3ccccc3)c3ccccc32)c1 71767477 DYKGFKQVONDCKP-JOCHJYFZSA-N 392.886 4.874 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@H]1CO 72431129 OJDQQBDFKKHHKF-SFHVURJKSA-N 382.891 4.521 0 50 GJAA O=C(c1cccnc1N1CCC[C@H](CCc2cccc(F)c2)C1)N1CCCCC1 72480052 JWZQSHLBIYSXBY-HXUWFJFHSA-N 395.522 4.696 0 50 GJAA CCO[C@@H]1C[C@@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 170638759 QWOLFGKVXQVPTO-ZIAGYGMSSA-N 398.450 4.701 0 50 GJAA Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)NC2=S)cc1C 220958743 WLSDFQWFOFYZLS-OVCLIPMQSA-N 393.295 4.578 0 50 GJAA Cc1nc(O)cc(-c2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc2)n1 238950425 XZKLTWVSAPWFCI-UHFFFAOYSA-N 393.830 5.118 0 50 GJAA CCOc1ccccc1CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CC1 299781152 DDOXCYNPUGHGFD-UHFFFAOYSA-N 376.403 4.883 0 50 GJAA CCO[C@H]1C[C@H](N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)C1(C)C 303852313 OMCRFIJYBFRHSZ-HOTGVXAUSA-N 376.884 4.579 0 50 GJAA O=C(CC1CCCC1)NC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 952969755 INQIPDVFPVEDHQ-OAHLLOKOSA-N 397.346 4.542 0 50 GJAA CC(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(F)(F)F 1287614105 GNGCERCMQXAHFZ-UHFFFAOYSA-N 393.413 4.645 0 50 GJAA CCOc1cc(C)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 1776004272 OCBYXGWZQHLLHL-UHFFFAOYSA-N 375.273 4.777 0 50 GJAA Cc1cccc(CC2(O)CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)c1 1875357804 XJARFUPIZLUILV-UHFFFAOYSA-N 390.527 4.836 0 50 GJAA O=C(O)c1cccc(-c2ccccc2CNC(=O)[C@H]2CCCc3ccccc3C2)c1 2325852278 YQABMFGSZOREQO-NRFANRHFSA-N 399.490 4.863 0 50 GJAA CSc1nnc(COc2ccc(Cl)c3cccnc23)n1-c1ccccc1 1058179 PZTKFZCVQBLYRM-UHFFFAOYSA-N 382.876 4.770 0 50 GJAA CCC(=O)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 1132457 GZTRLAIFRPSJCT-UHFFFAOYSA-N 387.229 4.846 0 50 GJAA biogenic Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c(C)c1 1225931 KHPICQHPOKRSSW-PGAZUGQPSA-N 393.486 4.874 0 50 GJAA biogenic CCOc1ccccc1-c1cc(C(=O)NCc2ccncc2)c2ccccc2n1 2760243 VNXBKXUWUIRPGN-UHFFFAOYSA-N 383.451 4.626 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 5590683 XWJXYISWZVKEQP-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA CCOC(=O)c1c(NC(=S)Nc2cc(C)ccc2O)sc(C)c1CC 17077458 LPHBJCCYELDPIF-UHFFFAOYSA-N 378.519 4.619 0 50 GJAA Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCC3)cc1)CC(C)(C)O2 44855268 YCUOVKVXWIQVCE-NRFANRHFSA-N 378.516 4.623 0 50 GJAA CCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 65407317 UPTNVMBTIVVZJQ-GFCCVEGCSA-N 392.377 4.537 0 50 GJAA O=C(N[C@@H]1C=CCCCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481805 JRTUXDFLVCCVBG-RBBKRZOGSA-N 391.467 4.725 0 50 GJAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1C 169759621 PRNDWUKTKMEEBP-FQEVSTJZSA-N 381.863 4.677 0 50 GJAA CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 239038761 DWMBLMXBAOMOLC-JVYGEBFASA-N 385.551 5.852 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 239248025 XWVARADXLLMZLV-MBZVMHRFSA-N 381.884 4.803 0 50 GJAA Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 252009495 QZLSVCZVDXZLAR-WSTZPKSXSA-N 382.504 4.959 0 50 GJAA Cc1cc(NC(=O)c2cccc(Br)c2Cl)n(-c2ccccc2)n1 322449013 HLCSXSQDQFERJW-UHFFFAOYSA-N 390.668 4.849 0 50 GJAA CN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2cc[nH]c2c1 328594229 BCHKTJXDSFRWJE-UHFFFAOYSA-N 393.450 4.692 0 50 GJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 329521626 OZVKQLPSAIYHRS-IBGZPJMESA-N 398.555 4.608 0 50 GJAA CSCC[C@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334160867 NWMAPYDQJZGYLO-OALUTQOASA-N 384.549 4.562 0 50 GJAA Cc1noc(C)c1COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1775965174 IOHCNDMQGBLHCE-UHFFFAOYSA-N 386.492 4.985 0 50 GJAA CCc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc1 1061346 ZIXZWXBCAPJQDR-SFHVURJKSA-N 392.421 4.661 0 50 GJAA CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 1186142 OHAGRGNSNHOHGZ-UHFFFAOYSA-N 376.890 4.883 0 50 GJAA O=C(Nc1ccc(Br)cc1)c1cccc2c1C(=O)c1ccccc1-2 1187312 RAUSPDVJZJWQER-UHFFFAOYSA-N 378.225 4.913 0 50 GJAA O=C(NCCC1=CCCCC1)c1ccccc1C(=O)NCCC1=CCCCC1 2745968 FMEYAVOBIRKGAT-UHFFFAOYSA-N 380.532 4.927 0 50 GJAA CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 4911416 KFUAGCMAFCDGLQ-CQSZACIVSA-N 391.920 4.799 0 50 GJAA COC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 12585860 JZZMMVOGYIZJKR-LJQANCHMSA-N 381.564 4.993 0 50 GJAA COc1cccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 17080960 OWEMTPYFLTWFIK-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1 18067971 ZUGCONAZZVIPGT-UHFFFAOYSA-N 381.482 4.991 0 50 GJAA aggregator COc1ccccc1-c1cc2c(c(OC)c1)OCCN(C[C@H]1CC=CCC1)C2 20293880 VQVUEBNQTMLSJK-SFHVURJKSA-N 379.500 4.922 0 50 GJAA Cc1ccc(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)c(O)c1 67772846 NXUGFARVZSZNAP-UHFFFAOYSA-N 384.435 4.707 0 50 GJAA O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)N[C@@H]1CCc2ccccc21 95511785 VKGFJSVPAPDLBM-OAQYLSRUSA-N 377.488 4.512 0 50 GJAA O=C1C(Cl)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(C(F)(F)F)cc1 170105550 QEXCOGOKKNLTRX-UHFFFAOYSA-N 386.156 4.882 0 50 GJAA COP(=O)(OC)[C@]1(O)[C@H]2CCC[C@H]1[C@@H](c1ccccc1)C1=C2CCCC1 239302601 FLRSDWGCLTWBAU-XSDIEEQYSA-N 376.433 5.245 0 50 GJAA C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@H]2CCCC2=O)cc1 252549679 RRLBDVIERVZFEX-YLJYHZDGSA-N 388.511 4.542 0 50 GJAA CCCSc1ccccc1NC(=O)N1CCC[C@H](OCc2ccccn2)C1 299773761 HVQITCQEIZPUMU-SFHVURJKSA-N 385.533 4.797 0 50 GJAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCC(c2ccncc2)CC1 828157780 ONVWYOCGQFCKLN-UHFFFAOYSA-N 389.524 4.789 0 50 GJAA CC(C)([C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1)N1CCCC1 1458836252 MXQFBAIAADOJES-IBGZPJMESA-N 392.877 4.964 0 50 GJAA Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ncnc3c2CCCC3)s1 1776003371 LRLUYDDKCJATBW-UHFFFAOYSA-N 399.907 4.770 0 50 GJAA O=C(N1C[C@@H]2C[C@@H]3COC[C@@H]3[C@@H]2C1)C1(c2ccc(Cl)c(Cl)c2)CCCC1 2100536862 CAOXXWMNWHSAFA-ABFRBSLYSA-N 394.342 4.546 0 50 GJAA CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](CC(F)(F)F)C1CC1 2325744393 ZTMKSLJTHUWCLW-ZDUSSCGKSA-N 394.231 4.697 0 50 GJAA Cc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1C 911077 PHUNHSXROCDOLH-CQSZACIVSA-N 377.724 4.903 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1C 1114075 UCPZSARKYIUGFF-UHFFFAOYSA-N 395.462 4.870 0 50 GJAA CCCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2927871 XZSAOUAUKSXMRI-LJQANCHMSA-N 394.500 4.943 0 50 GJAA Cc1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2cc1C 4841296 ADIWQLJJEGBNSF-UHFFFAOYSA-N 379.407 4.929 0 50 GJAA O=C(/C=C/c1ccccc1)Nc1nnc(CSCc2ccccc2F)s1 8913812 ZYDHWAQZABOEDZ-ZHACJKMWSA-N 385.489 4.763 0 50 GJAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCCc1ccccc1 12024223 AHGQOQDESIBKAV-UHFFFAOYSA-N 396.550 4.562 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c(OC)c1 12207068 UXSVRUARIPGQDL-KRWDZBQOSA-N 379.456 4.545 0 50 GJAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1cccc(Cl)c1 12597545 MSMPVHGNKPJENS-UHFFFAOYSA-N 388.914 4.506 0 50 GJAA O=C(CC[C@H]1CCCN(CCCC(F)(F)F)C1)NCc1ccccc1Cl 14957817 IOVXAIAEROZHIO-OAHLLOKOSA-N 390.877 4.791 0 50 GJAA COc1ccc(NC(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 17160146 KNRDCHAQMKFJED-UHFFFAOYSA-N 384.505 4.659 0 50 GJAA O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21 43077222 SFNLLCUAISZNRV-UHFFFAOYSA-N 380.806 4.689 0 50 GJAA in-vitro COc1ccccc1CN(C(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CCCC1 91288826 DBMDHKBOTMRGQV-UHFFFAOYSA-N 379.460 4.572 0 50 GJAA COc1cccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc12 170612462 QVUGAZCXRZRZFW-LJQANCHMSA-N 393.874 4.903 0 50 GJAA CC(C)OCc1cccc(NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 374393258 VIHMVPBSBODXHU-IBGZPJMESA-N 396.535 4.556 0 50 GJAA CCSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 952861035 XBJLLXSOAKJHFS-UHFFFAOYSA-N 382.529 4.598 0 50 GJAA CN1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)c2cc(Cl)ccc21 1361177230 WVCPXWIOUJTLCE-UHFFFAOYSA-N 386.776 4.985 0 50 GJAA Cc1sc2nc(-c3cccnc3)nc(NC[C@H]3C[C@H](n4ccnc4)C3)c2c1C 1875360106 YZRAVECJUPNWBS-JCNLHEQBSA-N 390.516 4.630 0 50 GJAA CC(C)Oc1ccncc1COC(=O)CCC(=O)c1cccc2ccccc12 2325726962 DLGXIEFUHJGSAY-UHFFFAOYSA-N 377.440 4.728 0 50 GJAA Cc1nscc1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 2325730286 DORPZEWCEWHFQP-HXUWFJFHSA-N 385.416 4.555 0 50 GJAA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1 625412 CWJBIHJQGQSJGO-UHFFFAOYSA-N 377.494 4.971 0 50 GJAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 993981 ACFUBBJJETVQFH-CYBMUJFWSA-N 387.501 4.699 0 50 GJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1 1073620 MXNBOMRISZQJTR-UHFFFAOYSA-N 385.442 4.717 0 50 GJAA O=C(COc1ccc2ccccc2c1Br)N1CCc2ccccc2C1 1124578 HAHCADHBGHILLE-UHFFFAOYSA-N 396.284 4.566 0 50 GJAA Brc1ccc(CSc2nnc3sc4ccccc4n23)cc1 1251019 JDPRUTAMFVHHRE-UHFFFAOYSA-N 376.304 4.999 0 50 GJAA COc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc12 2288692 MVDSQBLIAJPKKD-UHFFFAOYSA-N 387.391 4.846 0 50 GJAA Cc1cc(C)cc(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c1 2852849 UXLPRLPKWMDXKN-UHFFFAOYSA-N 397.858 4.569 0 50 GJAA O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 4542212 KMCWJYQWEAEWLN-UHFFFAOYSA-N 377.149 4.974 0 50 GJAA Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccc(C)c(C)c2)c1 4808482 KLXPNNORYRHQMD-UHFFFAOYSA-N 388.467 4.882 0 50 GJAA C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)C12CC3CC(CC(C3)C1)C2 6521714 MOLCZNVQCWIFGH-JHMRYYBSSA-N 387.911 4.513 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 14949252 UOFBUNYRQNPBFD-HNNXBMFYSA-N 391.389 4.529 0 50 GJAA CCn1cc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)c(C)n1 15003586 OKNYTRGUKZJIFE-UHFFFAOYSA-N 385.511 4.703 0 50 GJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1 64984724 MPHBARQVMIZYLK-MRXNPFEDSA-N 393.871 4.667 0 50 GJAA O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71708060 VPCLLDAYNBVMRP-INIZCTEOSA-N 377.406 4.896 0 50 GJAA O=C(O)c1cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)ccc1Cl 72426162 IFQOYHJMKAGZFL-UHFFFAOYSA-N 378.819 4.589 0 50 GJAA CCCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 169772743 ARXGTLPPOIHYQA-JOCHJYFZSA-N 390.527 4.655 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cccnc1)CC(=O)O2 253415103 ZQUNZEYNKQRJTF-GOSISDBHSA-N 383.403 4.604 0 50 GJAA biogenic COC(=O)[C@H]1CC12CCN(c1nc(-c3ccccc3C(F)(F)F)cs1)CC2 465048224 COINSTLLPHALPG-CQSZACIVSA-N 396.434 4.608 0 50 GJAA Cn1c(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc2cccc(Cl)c21 1529090067 FINNEUWXXANERU-LEWJYISDSA-N 394.902 4.824 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cc(Cl)cc4c3OCC4(C)C)C1)CC2 1704307058 SHZDZOPULRTKNJ-HSZRJFAPSA-N 397.950 4.588 0 50 GJAA Cn1cncc1[C@H]1CCCN(Cc2cccc3c(Br)cccc23)C1 2325745565 FZGOOIVMMBYNDM-INIZCTEOSA-N 384.321 4.715 0 50 GJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(-c4cccc(F)c4)cc3)C[C@H]2C1 2356163810 RQVBANYEGJPIMT-RVNSJZFSSA-N 380.507 4.684 0 50 GJAA COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631189 AEKBBMOXLXIZAP-IRXDYDNUSA-N 375.259 4.740 0 50 GJAA COc1ccccc1OCCn1cc(C(=S)N2CCCC2)c2ccccc21 920434 KTRFKBHRPWKTOL-UHFFFAOYSA-N 380.513 4.500 0 50 GJAA Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 3864117 WCAYKVUDNCORBO-ZWKOTPCHSA-N 398.528 4.923 0 50 GJAA Cc1cc2nc(N3CCC(C(=O)NC4CCCCCC4)CC3)nc(C)c2cc1C 11981216 YMQLJIUYMBPCCQ-UHFFFAOYSA-N 394.563 4.610 0 50 GJAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccc3cnccc23)C1 12022472 DIEFFFRLMXQRDC-HSZRJFAPSA-N 380.919 4.705 0 50 GJAA Cc1nc(NCc2cccc3c2OCO3)sc1-c1ccn(-c2ccccc2)n1 12079685 XDFNPLDXMRLUAY-UHFFFAOYSA-N 390.468 4.645 0 50 GJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)cc1 14976490 LGMDLPICCSQDAC-HSZRJFAPSA-N 382.573 5.000 0 50 GJAA COc1ccccc1CN(Cc1cccnc1)Cc1c(C)nn(C(C)(C)C)c1C 55393024 BAUVDUOOSZDURW-UHFFFAOYSA-N 392.547 4.861 0 50 GJAA C[C@@H](c1ccc(C(=O)N(C)CCn2ccc3ccccc32)o1)N1CCCCC1 97288906 MIXPZKZDQVFXGF-SFHVURJKSA-N 379.504 4.553 0 50 GJAA COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 115773193 FAIPTLMPAKGMMP-HXUWFJFHSA-N 388.471 4.830 0 50 GJAA CC1(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CCCC1 1704298529 IRSMQCCLIRHGNZ-DEOSSOPVSA-N 375.516 4.530 0 50 GJAA Cn1cc([C@H]2CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)c2ccccc21 1875261457 KRGBZBLWSHMNPP-AWEZNQCLSA-N 377.875 4.943 0 50 GJAA N[C@H]1CCCc2cc(-c3nc(-c4cnn(-c5cccc(Cl)c5)c4)no3)ccc21 2325821844 FSBTVGWPWYNYGS-IBGZPJMESA-N 391.862 4.579 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 792532 XKVMGWGZVAIXEG-UHFFFAOYSA-N 396.575 4.843 0 50 GJAA O=C(Cn1c(SCc2ccccc2)nc2ccccc21)NC1CCCCC1 1004620 XRCOYTSQVSUFNA-UHFFFAOYSA-N 379.529 4.778 0 50 GJAA COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3ccco3)n2)cc1 1110265 NFPNFPMHWSRYIX-UHFFFAOYSA-N 391.452 4.528 0 50 GJAA aggregator Cc1cc(C)cc(C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C)c1 1425652 SOUKHRYZCIPMDY-RDTXWAMCSA-N 391.389 4.570 0 50 GJAA Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O 1841138 SHTFMUPUBYXPCD-UHFFFAOYSA-N 391.747 4.525 0 50 GJAA in-vitro CC[C@H](C)Nc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(F)cc1 2866633 GYZSFCVSSVZCMW-AWEZNQCLSA-N 388.464 4.832 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc(C)c1C 4038669 KXQFFPGMIBZZTO-UHFFFAOYSA-N 381.881 4.521 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 5046770 PXZUEWYHODBRJQ-UHFFFAOYSA-N 394.496 4.711 0 50 GJAA CCn1cc(CNC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)cn1 6490308 NSXAYERFGBZDAR-UHFFFAOYSA-N 390.874 4.702 0 50 GJAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2c[nH]c3ccccc23)c1 11769344 KSKKXEZBGKWGBA-QHCPKHFHSA-N 398.510 4.707 0 50 GJAA COc1ccccc1Oc1ncccc1CNC(=O)c1ccccc1SC 12203320 IRCXKYLTNQORET-UHFFFAOYSA-N 380.469 4.534 0 50 GJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)c1OC 12207569 PDLAORPIGYURNU-HSZRJFAPSA-N 388.467 4.926 0 50 GJAA CCOc1ccccc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 55089129 BUXAIBROEKICSE-UHFFFAOYSA-N 381.497 4.914 0 50 GJAA CCOc1ccccc1-c1c(-c2ccccc2)ncn1C[C@@H](O)c1cccnc1 65404866 TZCOPXGHHLWQSQ-OAQYLSRUSA-N 385.467 4.744 0 50 GJAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 95374687 ADBXLJBPJOTGOT-GOSISDBHSA-N 375.516 4.987 0 50 GJAA Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 170631699 CJCSTTPJIXATKB-IRLDBZIGSA-N 392.455 4.585 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 239433343 XNVKQUIGVYDPJL-WVATUKLVSA-N 381.781 4.617 0 50 GJAA O=C(NCc1c(F)cccc1Cl)N1CCCC[C@H]1CCc1ccccn1 426674408 XHQRRZLHPJDTDE-INIZCTEOSA-N 375.875 4.571 0 50 GJAA O=c1ccn(CCCOc2ccc(F)cc2)c2c(OC(F)(F)F)cccc12 888091632 FYSPZUIUZUVUPZ-UHFFFAOYSA-N 381.325 4.508 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1I)c1ccsc1 1875258227 FSGSRPLSQPUEON-UHFFFAOYSA-N 397.159 4.624 0 50 GJAA CCc1c(NC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)cnn1C1CCCC1 1875396124 WFLAFCRWERWCCL-YROCYRMSSA-N 395.551 4.644 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1ccccc1C(=O)OCc1ccccc1F 1256388 GFIISKSFDZUYOS-UHFFFAOYSA-N 382.366 4.966 0 50 GJAA O=C(OCCOc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4906260 IQTAAHFQVCHKLP-UHFFFAOYSA-N 379.294 4.588 0 50 GJAA COc1cccc(Cc2cc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)on2)c1 11788353 DYCSJWDAWVHROI-HXUWFJFHSA-N 390.483 4.684 0 50 GJAA CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1 12090241 FOAUJIYKAKWGPA-GOSISDBHSA-N 396.497 4.609 0 50 GJAA S=C(Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 19681244 YKZQXUTWPYNWHR-UHFFFAOYSA-N 380.344 4.508 0 50 GJAA COc1cnc(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1O 244734604 NISJUECWCVXZCA-UHFFFAOYSA-N 379.504 4.655 0 50 GJAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@H]1CCC2=O 254479313 DDDJCSCTQYHRFY-IHDLXORSSA-N 384.438 4.992 0 50 GJAA Cc1cnc(C2CCN(C(=O)Nc3cccc(Br)c3C)CC2)s1 433506742 PCQSGXHFXLOFID-UHFFFAOYSA-N 394.338 4.934 0 50 GJAA O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 846233891 BKEAATOSBKLILH-OALUTQOASA-N 394.298 4.565 0 50 GJAA O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857723245 XBNRCASVZREEDZ-LEWJYISDSA-N 380.875 4.814 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3ccc4cccnc4c3)C2=O)cc1 2356165826 PUUCIHHMPUDJIT-RUZDIDTESA-N 385.511 4.705 0 50 GJAA COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4ccco4)ccc32)cc1 1103111 FWBABBDQPYVCNH-UHFFFAOYSA-N 389.407 4.962 0 50 GJAA biogenic CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1119256 JNNJHIRDHUTQDI-CYBMUJFWSA-N 377.868 4.888 0 50 GJAA O=P1([C@@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OCCCO1 2810178 FFMJOCZXAWBDCB-MRXNPFEDSA-N 398.193 4.895 0 50 GJAA O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccccc1)c1ccc(Cl)cc1 2877428 ZCZSDKGNECAPBF-ROUUACIJSA-N 381.950 4.722 0 50 GJAA CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 4776437 WZALSCNMYGNKAY-UHFFFAOYSA-N 386.473 4.883 0 50 GJAA Cc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)cc1 12570467 JTHMHMUSFBLUQE-HXUWFJFHSA-N 384.951 4.675 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 12612874 DZIIZUBUQNXLTR-SFHVURJKSA-N 392.430 4.577 0 50 GJAA COC(=O)c1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)cc1 15067488 XZOTYEVUNRGBAA-OAQYLSRUSA-N 389.499 4.551 0 50 GJAA CCOC(=O)C1(CC2CC2)CCN([C@@H](C)CCc2c[nH]c3ccccc23)CC1 15079910 IKXNMUGSWIMGFE-SFHVURJKSA-N 382.548 4.934 0 50 GJAA Cc1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20726342 CJLMZERZRZYWBH-UHFFFAOYSA-N 385.511 4.934 0 50 GJAA Cc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC1CCOCC1 161264129 LVXVMVJIIYCAAP-OAHLLOKOSA-N 388.895 4.645 0 50 GJAA Fc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 263619405 YOEOBWWEZWKAQH-SFHVURJKSA-N 396.809 4.664 0 50 GJAA COc1cc(Cl)c(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1Cl 1462714160 HJTQHKDXSPQJAK-UHFFFAOYSA-N 381.664 4.732 0 50 GJAA CSc1ccc2c(C)cc(N3CCC[C@H](OCc4cccnc4)C3)nc2c1 1529124979 CDTDYFUVWOMWLZ-SFHVURJKSA-N 379.529 4.846 0 50 GJAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 1857730870 ASZFRLFIHMRIKO-QGZVFWFLSA-N 396.491 4.669 0 50 GJAA CC(C)N1CCCC[C@H]1Cn1c(=O)n([C@H](C)c2ccccc2)c2ccccc21 1875357493 JPVGFPMLFXGREW-CTNGQTDRSA-N 377.532 4.675 0 50 GJAA COC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(C)n1 1875361842 DUBNMZGARKHWIF-OAQYLSRUSA-N 397.519 4.894 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C)C2 687040 QSFHIYSIWHQXNM-GFCCVEGCSA-N 375.465 4.830 0 50 GJAA COc1ccc2cc(Br)ccc2c1CC(=O)N(C)c1ccccc1 703765 UPWUXNAZTBFNOS-UHFFFAOYSA-N 384.273 4.816 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc3ccccc23)NC(=O)N1 706474 ZWTIHMWHBJYSPJ-OAQYLSRUSA-N 378.472 4.734 0 50 GJAA O=S(=O)(Nc1ccc(Br)cc1F)c1ccc2ccccc2c1 1116528 DPDYOERDQZUTPR-UHFFFAOYSA-N 380.238 4.542 0 50 GJAA Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(N)=O 1128412 FXRNWXRNVITRMY-FMIVXFBMSA-N 394.471 4.537 0 50 GJAA O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 1206308 SFUMZUUYGYESOH-UHFFFAOYSA-N 376.437 4.686 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CCCC2 2091823 AVPRQJPAOKWVKM-MRXNPFEDSA-N 387.501 4.600 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@@H](C)c2cc(C)ccc2C)s1 2858363 LTEFYOIMTMLUNN-ZDUSSCGKSA-N 376.547 4.762 0 50 GJAA Clc1cccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)c1 4734903 INKPBHQQWVNSHF-UHFFFAOYSA-N 391.681 4.936 0 50 GJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)n1nnc2ccccc21 4873573 FGWIXNXBOSNGMT-SEYXRHQNSA-N 397.463 4.699 0 50 GJAA COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 5675779 IDQRZPRKUAXDQE-PGRDOPGGSA-N 390.464 4.509 0 50 GJAA COc1cc2c(cc1NC(=O)Nc1ccc3c(c1)OCO3)oc1ccccc12 13323984 HVJJKCCQOJNYRT-UHFFFAOYSA-N 376.368 4.967 0 50 GJAA COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccn(C)n4)nc32)cc1 20603170 YXOGRXJNIRUKQU-UHFFFAOYSA-N 395.413 4.645 0 50 GJAA O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(-c2cccc(Cl)c2)on1 119572725 PYKDIKYQUXQFAH-UHFFFAOYSA-N 391.210 4.672 0 50 GJAA Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)cc(F)c2)c1C(F)(F)F 121019769 SZJUYWWEXPOXBO-UHFFFAOYSA-N 381.304 4.730 0 50 GJAA COc1cc(NC2CCC3(CC2)C(=O)Nc2ccccc23)c(OC)cc1Cl 180073901 ZZISVVMDMIFBQD-UHFFFAOYSA-N 386.879 4.602 0 50 GJAA CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2)nc2ncnn12 504084686 WBYNZQXAAWPAGR-UHFFFAOYSA-N 393.878 4.844 0 50 GJAA O=C(O)[C@@H]1CCO[C@H]1c1cncc(-c2ccc([C@@H]3CC(F)(F)C3(F)F)cc2)c1 901102795 YEEZXJOTWLGLQR-IKGGRYGDSA-N 395.352 4.669 0 50 GJAA C[C@@]1(Cc2ccc(C(F)F)cc2)CCCN1c1ccc2nnc(C(F)F)n2n1 2325756951 UFAVBZGOSQFTEW-IBGZPJMESA-N 393.388 4.601 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc(-c3ccco3)cc12 633118 FGBRHVPFVZXSDG-UHFFFAOYSA-N 394.814 4.655 0 50 GJAA COc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 641172 HVXKSEZWHMYECO-UHFFFAOYSA-N 390.650 4.925 0 50 GJAA CCOC(=O)c1cnn2c1N[C@@H](c1ccc(C(C)C)cc1)C[C@@H]2C(F)(F)F 1071564 YTHKWYQPULVTLD-HZPDHXFCSA-N 381.398 4.844 0 50 GJAA COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1131459 ROEZAEYGTHWKSI-FQEVSTJZSA-N 396.284 4.977 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 1167191 UODBSDCWJJHKQI-FMIVXFBMSA-N 378.453 4.661 0 50 GJAA CCCCCOC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 1781083 UBUFVMVZYOLPRE-UHFFFAOYSA-N 375.852 4.705 0 50 GJAA CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccco1 2398484 DGEKWRTZPSUOLP-UHFFFAOYSA-N 384.505 4.586 0 50 GJAA O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCCC1 2746098 KHPZWZAXAJMUAT-UHFFFAOYSA-N 381.273 4.900 0 50 GJAA COC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1 2760208 YOQQXRMHULEYNJ-UHFFFAOYSA-N 380.469 4.774 0 50 GJAA COc1c(Cl)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 2854679 MFLSMDPNHKLSAB-UHFFFAOYSA-N 399.705 4.618 0 50 GJAA CCCCc1n[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 4783972 GODZHVHSRHZTLD-UHFFFAOYSA-N 378.586 4.733 0 50 GJAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1C 11814772 UXLRJXUMSKLQOG-IBGZPJMESA-N 390.483 4.528 0 50 GJAA COc1cccc2c1OCCCN(Cc1nc(-c3ccccc3F)oc1C)C2 12297316 ZRQFPVMBYBPZDK-UHFFFAOYSA-N 382.435 4.582 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)oc2C)n1 12307000 NOZTUVOGHPRSEJ-HSZRJFAPSA-N 385.467 4.869 0 50 GJAA COc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12 19361452 PNYTVFKHRIIMPM-UHFFFAOYSA-N 380.919 4.820 0 50 GJAA C/C=C/c1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 20482388 RGVVEEIXWLXKSG-YCRREMRBSA-N 394.559 4.705 0 50 GJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67643581 OIRJZVGXEZSWGN-QHCPKHFHSA-N 384.483 4.698 0 50 GJAA COc1ccc(CC[C@H](C)NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 170601882 NIWLDOVQBYSGRN-NSHDSACASA-N 386.801 4.514 0 50 GJAA Cc1cc(C)nc(-c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2)c1 299797433 NSEWAGYLGRPNLT-QGZVFWFLSA-N 388.467 4.628 0 50 GJAA C[C@H](NC(=O)NC[C@@H](C)N(C)c1ccccc1)c1ccc(-c2ccncc2)cc1 470503071 CYUDPPNJEZCCJK-MOPGFXCFSA-N 388.515 4.634 0 50 GJAA c1ccc2sc(N3CCN(Cc4ccc([C@H]5CCCO5)s4)CC3)nc2c1 820420192 HBHHGZUJYCMVTJ-QGZVFWFLSA-N 385.558 4.532 0 50 GJAA COc1cccc(-n2cc(CN(C)Cc3cc(C4CCCCC4)no3)cn2)c1 1506416651 DBXCKYDFMPTZQR-UHFFFAOYSA-N 380.492 4.549 0 50 GJAA CC[C@H]1COCc2nnc(-c3csc(-c4ccc(Cl)cc4Cl)n3)n21 1772813184 VAPIHKIVRYLXCK-JTQLQIEISA-N 381.288 4.857 0 50 GJAA CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 1848443760 YSKYSQZEVNUXOX-QEGBBKHESA-N 386.532 4.957 0 50 GJAA CC(=O)Nc1cccc(CC(=O)OCC23CCC(C(F)(F)F)(CC2)CC3)c1 1875266429 XPGQYBBKPUOARL-UHFFFAOYSA-N 383.410 4.634 0 50 GJAA C[C@H](Cn1nc(-c2ccc(Cl)nc2)nc1[C@H]1CCOC2(CCC2)C1)C1CC1 1875331399 YJWKQXPTKHKWNF-ZBFHGGJFSA-N 386.927 4.856 0 50 GJAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)o1 1875404454 JJVWGARAWSBNHC-BTYIYWSLSA-N 397.475 4.705 0 50 GJAA Cc1ccc([C@H]2C[C@H](OC(=O)c3ccc(-n4ccnc4)cc3C)CCO2)cc1 2325742614 MKBBJKIPBRTBAD-IFMALSPDSA-N 376.456 4.566 0 50 GJAA COc1ccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 637148 MWZVXDCUDZWDIQ-UHFFFAOYSA-N 386.403 4.730 0 50 GJAA biogenic CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1C[C@@H](C)CC2 985771 XOXORYWDPAORNU-ZDUSSCGKSA-N 388.558 4.536 0 50 GJAA Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 1063393 XMRMBLLRVOEHCU-CVEARBPZSA-N 390.821 4.988 0 50 GJAA COc1ccc(OCCSc2nc3cc(Br)ccc3[nH]2)cc1 2070676 VJEFVNMYASGZHS-UHFFFAOYSA-N 379.279 4.505 0 50 GJAA CC[C@@H](C)NC(=S)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C 2793947 QJQAUZRZPPLXNL-LLVKDONJSA-N 384.471 4.652 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 3069917 AQLGGWYQAWODIT-UHFFFAOYSA-N 397.645 4.762 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4627690 VTADXJRQKMHKAZ-OIISXLGYSA-N 396.556 4.740 0 50 GJAA CCc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 12299386 QNHQLRJWOMKPEQ-SFHVURJKSA-N 384.520 4.790 0 50 GJAA Cc1ccc(C)c(-n2cc(CN[C@@H](C)c3cnn(C)c3)c(-c3ccccc3)n2)c1 12300668 RFPJIRUZIYICDL-IBGZPJMESA-N 385.515 4.740 0 50 GJAA Cc1ccc2oc(C(=O)N3CCCN(Cc4cccc(F)c4)CC3)c(C)c2c1 12430613 FVYOAQLMYHCPFB-UHFFFAOYSA-N 380.463 4.537 0 50 GJAA Cc1cccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1 20201326 OSIHMIMUZQQURG-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA CN1C(=O)/C(=C2/SC(=O)N(c3cccc(Cl)c3)C2=S)c2ccccc21 54202492 JOBFHRFQCOAFMQ-CCEZHUSRSA-N 386.885 4.728 0 50 GJAA Cc1nc(-c2c(-c3ccccc3)ncn2C[C@@H](c2ccco2)N2CCCC2)c[nH]1 65375960 AUWQNOXANKRNHS-FQEVSTJZSA-N 387.487 4.679 0 50 GJAA COc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCCO2)cc1OC 65468948 NMGFYQIQIYMUDC-IBGZPJMESA-N 378.472 4.803 0 50 GJAA CC(C)COc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1Cl 134494034 HQHNMRJBQXUJQT-HNNXBMFYSA-N 380.897 4.935 0 50 GJAA Cc1ccc(C)c(-n2ncc(NC(=O)c3cc(F)c(F)cc3Cl)c2C)c1 151936740 LTBFCAWGOARJDI-UHFFFAOYSA-N 375.806 4.981 0 50 GJAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(Br)c3)C2)o1 170620062 APXHCAYXLJOPKZ-INIZCTEOSA-N 399.244 4.935 0 50 GJAA O=C(NC[C@@H]1CCCO1)Nc1ccccc1SCc1cccc(Cl)c1 426369937 LVDHMXPSFFBIED-INIZCTEOSA-N 376.909 4.933 0 50 GJAA CCO[C@@H](C)c1ncc(C(=O)N(Cc2nc3ccccc3s2)C2CC2)s1 928664943 PXBYQSHFNYXOIH-LBPRGKRZSA-N 387.530 4.655 0 50 GJAA COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)o2)c1 952990214 HHEOVGQCSXEFQB-UHFFFAOYSA-N 390.439 4.643 0 50 GJAA CC(C)Cc1noc([C@@H]2CCCN(Cc3ccc(-c4cccnc4)cc3)C2)n1 952991357 OHSRGDBCEHHFHB-OAQYLSRUSA-N 376.504 4.710 0 50 GJAA CCc1cncc(C(=O)NCCc2c(C)[nH]c3c(Cl)ccc(Cl)c23)c1 1875316563 ZLAVHKANFIGFFY-UHFFFAOYSA-N 376.287 4.713 0 50 GJAA Cc1nscc1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 2325730285 DORPZEWCEWHFQP-FQEVSTJZSA-N 385.416 4.555 0 50 GJAA CCc1ccc(Nc2nnc(-c3cc4cccc(OC)c4oc3=O)s2)cc1 1167651 LDEVEEZQQXWFNB-UHFFFAOYSA-N 379.441 4.626 0 50 GJAA CCCC[C@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 2998645 LXBSQTGMPFWNQE-OAQYLSRUSA-N 386.451 4.633 0 50 GJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 5101451 QJQZIGVQEFQEBV-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 9059110 XAMRJLARKORAJC-UHFFFAOYSA-N 392.358 4.538 0 50 GJAA Cc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)sc1-c1ccccc1 13324090 GJWZMZSHLAZFKA-UHFFFAOYSA-N 378.482 4.889 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4sccc4Cl)C3)C2)c1 15074277 LBZNBIRLEXVJDX-OAQYLSRUSA-N 388.964 4.838 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)s1 19740228 LAKIIGLCFPJOLS-GOSISDBHSA-N 394.544 4.785 0 50 GJAA CCCCc1ncc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)[nH]1 20454266 XJSLNMOWLARYEC-LJQANCHMSA-N 377.536 4.830 0 50 GJAA CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1 20604950 PVNRHCLKJLOOGU-UHFFFAOYSA-N 389.356 4.770 0 50 GJAA C[C@@H]1CO[P@@](=O)([C@@H](NCc2ccccc2)c2ccc(Br)cc2)O1 22014776 MUZKRFLNJBGJNT-MBSYMSIGSA-N 396.221 4.866 0 50 GJAA CCOc1ccc(N[C@@H](c2ccccc2)c2nnnn2-c2c(C)cccc2C)cc1 22203777 SHVIXURVUZHCIS-QFIPXVFZSA-N 399.498 4.879 0 50 GJAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)nn1 72437507 XUEPHORYWOKDIQ-UHFFFAOYSA-N 389.333 4.728 0 50 GJAA Cc1nc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c(-c2ccccc2)s1 170595455 JKBVLOAFIGYKIE-UHFFFAOYSA-N 382.533 4.769 0 50 GJAA Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c(C)n1-c1nccs1 170617314 HAWOBGCSRYGYDN-LJQANCHMSA-N 382.533 4.647 0 50 GJAA CC(=O)N1CCCN(C(=O)c2cccc(-c3csc(C)n3)c2)c2ccccc21 173828745 PJTSHAOIOOKSPF-UHFFFAOYSA-N 391.496 4.522 0 50 GJAA C[C@@H](NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1ccccn1 175057049 ARXQVPNOELXZMO-LLVKDONJSA-N 383.839 4.545 0 50 GJAA O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1C[C@@H]1c1c(F)cccc1F 180226438 LUPWHESILYWAMJ-DRBDTANFSA-N 395.808 4.507 0 50 GJAA Cn1c(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc2cc(F)ccc21 670454426 FFLVSWHWCQTERS-HSZRJFAPSA-N 393.506 4.665 0 50 GJAA CN1CC[C@@H](n2ccnc2-c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 1857701181 FQRMRBURBCUIOW-CYBMUJFWSA-N 376.243 4.520 0 50 GJAA C[C@H](C(=O)N1CCC[C@@H]1c1cc(F)ccc1Cl)n1ccc(C(F)(F)F)n1 1875331583 OGIDKYSCMGSWJI-QMTHXVAHSA-N 389.780 4.619 0 50 GJAA CC1(C)C[C@@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1 668832 POELBCUWPASYPJ-VLIAUNLRSA-N 390.574 4.554 0 50 GJAA CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1C 671889 BJVRMYAUTWDLKQ-IBGZPJMESA-N 394.500 4.861 0 50 GJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)OCO2 710376 MUVWESMJQHQIBT-UHFFFAOYSA-N 395.436 4.573 0 50 GJAA COc1ccc(O[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 836813 SGLCLIAYQZRAHX-INIZCTEOSA-N 388.678 4.509 0 50 GJAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1cccnc1 921287 QACBEIPPGXJPBS-UHFFFAOYSA-N 376.243 4.725 0 50 GJAA COc1cccc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 1120694 ANFJINYVBCDZAC-UHFFFAOYSA-N 384.815 4.553 0 50 GJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1cccs1 1188441 MMZYBHUXYNKHSX-UHFFFAOYSA-N 388.558 4.957 0 50 GJAA COc1cc(CN2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 4980533 INYOSINQIJOQKT-UHFFFAOYSA-N 388.511 4.596 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccccc1 6145363 IHONEVUCXFJKEI-UHFFFAOYSA-N 382.510 4.688 0 50 GJAA OCC1(Cc2cccc(C(F)(F)F)c2)CCN(CCCc2ccccc2)CC1 12199553 IONHGQXLAYQCHS-UHFFFAOYSA-N 391.477 4.955 0 50 GJAA C[C@H](NC(=O)c1cc(COc2ccc(F)cc2F)on1)c1ccc(Cl)cc1 12585303 FITPGHBZJNCLPR-NSHDSACASA-N 392.789 4.676 0 50 GJAA CCOC(=O)C1(CCOC)CCN(Cc2cccc3c2oc2ccccc23)CC1 12587277 BDAHMCSMFSRSNI-UHFFFAOYSA-N 395.499 4.768 0 50 GJAA Cc1cc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)ccc1Cl 17124750 UTTRUFDPANOQSP-UHFFFAOYSA-N 392.843 4.862 0 50 GJAA CCn1nc(C)c(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)c1C 20454794 HYJRRRTYAWUCRO-QHCPKHFHSA-N 379.479 4.795 0 50 GJAA Cc1cc(Cl)ccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 54254184 IRUQXVLCCQOGKJ-VMPITWQZSA-N 385.964 4.676 0 50 GJAA Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)O 65393790 XDGSQXCCKFCUBI-UHFFFAOYSA-N 383.451 4.861 0 50 GJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@@H](CO)Cc1ccc(Cl)cc1 67895838 MTTJIQWMCJNZDI-LJQANCHMSA-N 392.890 4.678 0 50 GJAA Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c1Cl 95374528 JUWBXRPBVHIPLH-OAHLLOKOSA-N 375.827 4.506 0 50 GJAA O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(F)c(F)c(F)c1F 170609291 FCAUQZBRIACISJ-UHFFFAOYSA-N 393.123 4.555 0 50 GJAA Cc1cc(NC(=O)c2cc3c(s2)-c2cc(F)ccc2SC3)ccc1C(N)=O 252523152 BZGNPHVDKBPBNF-UHFFFAOYSA-N 398.484 4.820 0 50 GJAA O=C(CCCc1ccc2nc(O)[nH]c2c1)N1CCCC[C@@H]1c1ccc(F)cc1F 432845027 BLFWVSXNDJDQOG-HXUWFJFHSA-N 399.441 4.623 0 50 GJAA COc1ccc2c(c1)cc(C(=O)N1CCCC[C@@H]1CCc1cccs1)n2C 952976863 UYQMXPUAPYOVKU-QGZVFWFLSA-N 382.529 4.876 0 50 GJAA COC[C@@H](NC(=O)c1sccc1-c1ccc(C)cc1)c1cccc(OC)c1 1437453645 OEPHAXLWVLWKLG-HXUWFJFHSA-N 381.497 4.850 0 50 GJAA CC(C)(C)c1cc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc(C(C)(C)C)c1O 1704338248 OZRCBCKJAHAOCB-NTKDMRAZSA-N 387.564 4.754 0 50 GJAA C=CC(=O)NC[C@H](NC(=O)[C@H]1CC=Cc2ccccc21)c1ccc2ccccc2c1 1875385875 DGZFIKMJICMYKE-ZEQRLZLVSA-N 396.490 4.500 0 50 GJAA Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 1162479 IUHOBWMTNBNQEP-UHFFFAOYSA-N 379.485 4.594 0 50 GJAA Cc1ccc2nc(NC(=S)NC(=O)c3oc4ccccc4c3C)sc2c1 1176064 WIKWODXVZKQNOT-UHFFFAOYSA-N 381.482 4.786 0 50 GJAA O=C(Nc1nnc(-c2ccc(Br)cc2)s1)Nc1ccccc1F 1798343 HLUZXBTZLHIZJE-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 4672862 ZICXXRGNYYVELM-UHFFFAOYSA-N 386.455 4.688 0 50 GJAA CC(C)[C@@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 4891403 CKRYSJREVNBPAY-LJQANCHMSA-N 395.528 4.682 0 50 GJAA C(=C/c1ccccc1)\CN1CCC(n2c([C@H]3CCCO3)nc3cccnc32)CC1 11785587 GYBFYOGBQXPVQP-FSNDINTDSA-N 388.515 4.633 0 50 GJAA CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccccc1 13610799 JBTBTGRUZKBZOB-UHFFFAOYSA-N 391.862 4.568 0 50 GJAA CSc1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 14989912 LSAXKPPAFJCJJH-UHFFFAOYSA-N 378.497 4.571 0 50 GJAA Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 15068305 CYCZYDSXTWKZGE-JOCHJYFZSA-N 387.483 4.785 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2F)C3)c1 55053218 YPJGEMATFHFIFV-UHFFFAOYSA-N 393.458 4.905 0 50 GJAA O=C(c1ccccc1O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71753087 DQKRVGDUXKBSOX-INIZCTEOSA-N 377.406 4.896 0 50 GJAA Fc1ccc(CN2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2)cc1F 72154599 KBGGKVSOFNCXGG-QFIPXVFZSA-N 383.442 4.599 0 50 GJAA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@@H]21 100550678 ONPLRFHNPZGXQL-LMSBXDPUSA-N 378.497 4.600 0 50 GJAA Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]3CCCC[C@H]32)o1 229994608 SRBPYMQORSDGOK-FUHWJXTLSA-N 378.476 4.855 0 50 GJAA C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(F)c(Cl)c1 252504187 VHZYDPXIVGQJAA-AWEZNQCLSA-N 388.870 4.818 0 50 GJAA Cc1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3ccccc3n2)cc1 825182766 YSKOIOOSXNHRJX-UHFFFAOYSA-N 384.483 4.524 0 50 GJAA COc1cc(O)cc(CNCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 1875310004 YKCWHOMMJMRSOG-UHFFFAOYSA-N 385.813 4.894 0 50 GJAA COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccccc5O)nc34)nc12 598610 NGKIDJMAXLRJRL-UHFFFAOYSA-N 386.363 4.795 0 50 GJAA biogenic,in-vitro CC(=O)c1ccccc1OC(=O)COc1ccc2ccccc2c1Br 1111425 ADJINAUPOGHPRQ-UHFFFAOYSA-N 399.240 4.789 0 50 GJAA CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12 1111454 GIZHVTQTRUSURN-UHFFFAOYSA-N 379.456 4.688 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1 1174111 HHNJJCJKMIOFDQ-UHFFFAOYSA-N 397.525 4.724 0 50 GJAA COc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 1183099 LLCKQLXFBMUMSO-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 2869124 OVGBIABZSJYAQA-UHFFFAOYSA-N 390.439 4.599 0 50 GJAA COc1cccc(OCCCCOc2ccc(I)cc2)c1 2904600 XUQJMMWQSFFMPJ-UHFFFAOYSA-N 398.240 4.538 0 50 GJAA Fc1cccc(Cl)c1Cc1nnc(S)n1-c1ccc(Br)cc1 6402266 JXDMJASNSYGXBF-UHFFFAOYSA-N 398.688 4.702 0 50 GJAA O=C(NCc1cc2ccccc2[nH]1)c1ccc2oc(Cc3ccccc3)nc2c1 11879768 ACKQTWFYRZFRCI-UHFFFAOYSA-N 381.435 4.830 0 50 GJAA CC(C)c1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(O)c2)n[nH]1 20998405 HSSJIGGWBGVLMU-DEOSSOPVSA-N 386.499 4.868 0 50 GJAA O=C(COc1ccc(F)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289598 SIQAQXZIIOELIX-UHFFFAOYSA-N 388.801 4.625 0 50 GJAA CCN(Cc1nc2ccccc2[nH]1)CC1CCN(CCc2ccccc2C)CC1 43083192 DJVRPCLXWWYSNO-UHFFFAOYSA-N 390.575 4.648 0 50 GJAA FC(F)(F)c1cccc(N2CCN(Cc3cccc(Br)c3)CC2)c1 55543575 SVKBEXZCXQQCNW-UHFFFAOYSA-N 399.254 4.790 0 50 GJAA CCCCc1nc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCCN2C)c[nH]1 65384317 DLWSGPJMWKYEFH-IBGZPJMESA-N 377.536 4.767 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(c2nccc4occc24)CCO3)s1 67821129 DXCHBFSSEGOBGW-UHFFFAOYSA-N 378.453 4.969 0 50 GJAA CCc1ocnc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc(C)c1 95525323 YWZLKZFFCKXEPD-QHCPKHFHSA-N 385.467 4.815 0 50 GJAA Cc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 263618867 VWWCGJNAMFECKG-IBGZPJMESA-N 392.846 4.833 0 50 GJAA C[C@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccc(-c2ccncc2)cc1 487311592 PZYIUDBGUJQYNK-IAHMWCFXSA-N 383.495 4.695 0 50 GJAA CCc1cc(-c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2)nc(C)n1 534653797 KXGUOVSZGCVUQM-OAHLLOKOSA-N 377.463 4.987 0 50 GJAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccnc2)nc2ccccc12 865212959 XZIVNAUYMNYFGB-UHFFFAOYSA-N 383.495 4.995 0 50 GJAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(Cc3c(Cl)cncc3Cl)C[C@@H]21 1704300644 ZVEFYLKIOGFADX-LIVBEALHSA-N 377.315 4.508 0 50 GJAA CSc1ccc2nc(N3CCC[C@@]4(CCc5cnc(C)nc54)C3)cc(C)c2c1 1704312262 NXBJFQOCXCIPSQ-HSZRJFAPSA-N 390.556 4.848 0 50 GJAA CCOc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 951507 KGYVHVSONKXCEN-VQHVLOKHSA-N 375.852 4.716 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 1092491 OACNFLTXWBKKIS-PGAZUGQPSA-N 393.486 4.956 0 50 GJAA biogenic CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1Br 1157914 YEFCIHLYCDLCRA-UHFFFAOYSA-N 384.657 4.762 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 1169993 COIIDSVAARHKMF-UHFFFAOYSA-N 390.464 4.989 0 50 GJAA CCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 3321867 PEWNYJWKFGRXAM-UHFFFAOYSA-N 394.862 4.766 0 50 GJAA Cc1ccccc1[C@H](NC(=O)c1cc(CCc2ccccc2)no1)c1ccncc1 11909257 GVMVKYDXMSGZKI-XMMPIXPASA-N 397.478 4.683 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C3CCSCC3)C2)cc1Cl 11933091 ULJGDUOSRWDDHP-HNNXBMFYSA-N 396.984 4.675 0 50 GJAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CCO2 12003935 OPYYGOGXXGZZKL-QHCPKHFHSA-N 395.449 4.636 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCCc4ccccc4)C3)C2)c1 12586491 KUJXHNURYWYVPG-SANMLTNESA-N 390.571 4.832 0 50 GJAA Cc1ccc(OCc2cc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)no2)cc1C 12706339 LLNIRELUPLBLPW-SFHVURJKSA-N 394.446 4.639 0 50 GJAA CN(Cc1cccc2ccccc12)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 14999658 KGJMMEWUPTWXAE-QHCPKHFHSA-N 390.502 4.992 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccncc2)C1 23153493 DFXOFXXOCZILOK-FQEVSTJZSA-N 386.451 4.609 0 50 GJAA O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc(Cl)cc2)on1 32593421 LFHUIEFQKILKJT-UHFFFAOYSA-N 384.848 4.554 0 50 GJAA O=C(c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2)c1)N1CCCCC1 48097468 MSDCXNAEHGIJGV-NRFANRHFSA-N 377.488 4.682 0 50 GJAA CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)CC1 55057213 DXTKHHUJLGSMIX-UHFFFAOYSA-N 393.918 4.641 0 50 GJAA COc1ccccc1CN(Cc1cccnc1)Cc1nc2c(s1)CCCC2 55211148 PIBBQKIPTVYCDC-UHFFFAOYSA-N 379.529 4.628 0 50 GJAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC[C@@H](c2ccn[nH]2)C1 67894405 RARJGJRIBMIFAY-GOSISDBHSA-N 382.467 4.645 0 50 GJAA Cc1cc(Cl)c(OCCOc2ccc(Br)cn2)c(Cl)c1 116999961 KGWAJQSHCMSCKV-UHFFFAOYSA-N 377.065 4.917 0 50 GJAA CSc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775687 VUAWLFHPVGFIJZ-UHFFFAOYSA-N 375.457 4.528 0 50 GJAA COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1F 189690104 HSOVBADBSKLYQP-FQEVSTJZSA-N 393.462 4.521 0 50 GJAA CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1C 455499025 CJIYVNFZPUFKQO-SFHVURJKSA-N 379.464 4.626 0 50 GJAA O=C(O)c1cccc(Cl)c1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 846246061 LXSJGHZSANVBFG-LJQANCHMSA-N 394.298 4.637 0 50 GJAA C[C@H](Oc1ccccc1)c1nn2c(CSCc3ccccc3)nnc2s1 1772491156 GCKJFUSQLHXWAR-AWEZNQCLSA-N 382.514 4.759 0 50 GJAA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)OCCc1ccccc1F 2325729455 CACFWEBHCAHXLH-FMIVXFBMSA-N 377.415 4.599 0 50 GJAA CCOC(=O)c1ccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 715825 FCVYXLUFMXBFDY-UHFFFAOYSA-N 384.435 4.538 0 50 GJAA c1ccc(CNc2ncnc3scc([C@H]4COc5ccccc5O4)c23)cc1 1110546 AGVBRFMXEUZIPW-GOSISDBHSA-N 375.453 4.816 0 50 GJAA C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)Nc4ccccc4)nc(N)c23)C1 2311541 SOEHJUIKOFJQBH-VXGBXAGGSA-N 398.557 4.518 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 11661009 NQKJJRGKVFUPAO-SFHVURJKSA-N 382.479 4.659 0 50 GJAA Fc1ccc(CN2CCC(c3[nH]ncc3CCc3ccccc3)CC2)cc1F 11789790 GKPRQNVRIPUFBL-UHFFFAOYSA-N 381.470 4.853 0 50 GJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)c1OC 11933584 BGGNMCIZPOXXLV-QHCPKHFHSA-N 388.467 4.926 0 50 GJAA CC(=O)c1cccc(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)c1 15078603 KVATUFYJYYIVOS-UHFFFAOYSA-N 378.516 4.829 0 50 GJAA CCc1c(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)csc1C 17078991 WHCDIKXUTXZULB-UHFFFAOYSA-N 386.546 4.628 0 50 GJAA O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 44559762 MEAQCLPMSVEOQF-UHFFFAOYSA-N 392.377 4.815 0 50 GJAA in-vivo CSc1ncc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 55244935 DPVAZHWWSGWJBA-SFHVURJKSA-N 383.561 4.591 0 50 GJAA Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 59223284 KMSKKYBHDQYHMC-UHFFFAOYSA-N 384.439 4.611 0 50 GJAA in-vitro COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c1O 117650789 XMLMYVFNVTVORW-WYMLVPIESA-N 398.462 4.887 0 50 GJAA Cc1cc(C)cc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1 169754714 JQYITOKLHDMYIC-UHFFFAOYSA-N 393.462 4.587 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 247756047 DJBXNRWJGDXHDA-UWWQBHOKSA-N 387.911 4.798 0 50 GJAA O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 263616278 HWHSVDKJASESLQ-MRXNPFEDSA-N 389.789 4.646 0 50 GJAA Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 442796137 FWUVJXRZTDKDIO-KXBFYZLASA-N 393.405 4.563 0 50 GJAA COc1cc2c(cc1OC)[C@@H](NC(=O)c1cccc3c1ccn3C(C)C)CC2 888105489 DKYRWIQJLOHQJY-IBGZPJMESA-N 378.472 4.657 0 50 GJAA O=C1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c2ccccc21 1436908040 AQJXYBJYBGFXNP-OAHLLOKOSA-N 399.372 4.590 0 50 GJAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccc(-c2ccc(O)cc2)cc1 1506398095 VIAUJGUEFDUIEL-UHFFFAOYSA-N 383.451 4.517 0 50 GJAA Cc1cc(=O)oc2c1cc(O)c1oc(-c3ccc(Cl)cc3)c(CC(=O)O)c12 2049252091 OAJMMDUVZNIYRV-UHFFFAOYSA-N 384.771 4.501 0 50 GJAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 732327 KBXPYWXMFQVPNU-UHFFFAOYSA-N 377.676 4.694 0 50 GJAA O=C1C[C@@H](c2ccccc2I)c2c(ccc3ccccc23)N1 821059 LQGRDIQGBQPPRB-HNNXBMFYSA-N 399.231 4.919 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N3[C@H](C)COC[C@H]3C)c3ccccc3n2)c1 999436 VIAHISYNHKFPAU-IAGOWNOFSA-N 390.483 4.550 0 50 GJAA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc2ccccc2o1 1131744 DMSZRDOXJBQNAU-UHFFFAOYSA-N 379.485 4.550 0 50 GJAA CCOc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1OC 1151722 HKUIMJGRJIWOKA-SFHVURJKSA-N 395.484 4.538 0 50 GJAA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccccc1I 1228886 PGEZUAIOFQHRKT-UHFFFAOYSA-N 399.231 4.795 0 50 GJAA COc1cc(C=O)ccc1OCCCCOc1ccccc1Br 2985923 RISXBUMFYGBSJC-UHFFFAOYSA-N 379.250 4.508 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 5482506 IESSUKUSVGBDPQ-LJQANCHMSA-N 383.879 4.730 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2=CCCCC2)C3)s1 12159970 VDIOYUOGSSPVJS-KRWDZBQOSA-N 399.487 4.677 0 50 GJAA COc1cccc(CN[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1OC 14964460 BRMSJEYTOKKXSH-KRWDZBQOSA-N 383.536 4.595 0 50 GJAA Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)no2)cc1 15859694 IHEOHRMEBPFGNJ-QFIPXVFZSA-N 389.499 4.607 0 50 GJAA C[C@@H](NCc1cccc2cccnc12)c1ccc(I)cc1 120535229 DDEYMUYTSZCXKD-CYBMUJFWSA-N 388.252 4.690 0 50 GJAA Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 124658303 UBQRZWFCPQWLOW-OAHLLOKOSA-N 397.866 4.505 0 50 GJAA O=C(NCc1cccc(-c2ccccn2)c1)c1cnn(-c2ccccc2)c1C1CC1 152906621 XOHRWGAZPBQLCL-UHFFFAOYSA-N 394.478 4.742 0 50 GJAA CCN(C(=O)c1sc(NC(=O)C2CC2)cc1C)[C@H](C)Cc1ccsc1 186373614 RNNOEDCCUYZXIZ-CYBMUJFWSA-N 376.547 4.560 0 50 GJAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)O 201266404 FWHQLGVSMQLDTO-QGZVFWFLSA-N 393.842 4.667 0 50 GJAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1 225619801 GTONWRGPAFNSKN-YJBOKZPZSA-N 377.488 4.981 0 50 GJAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 230137780 BXJRUGUVBIWBJI-IKLJTZIWSA-N 392.543 4.729 0 50 GJAA Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 263615562 DAWWOGJHXWMGDV-IBGZPJMESA-N 392.846 4.833 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@@H](c3ccc(Cl)cc3)C2=C1O 888088576 GJXDMGYEIUJJFG-LJQANCHMSA-N 391.858 4.681 0 50 GJAA CCc1nccn1C[C@H](C)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 1506397274 RJCVVHCIXUWSMH-INIZCTEOSA-N 397.954 4.757 0 50 GJAA COC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccccc1C 1875256266 UUVQUXBUNWZHLM-VGOFRKELSA-N 390.483 4.813 0 50 GJAA Cc1cnnn1-c1ccc(NC(=O)N2CC=C(c3cccc4ccccc34)C2)cc1 1875310916 GYEZXHVHGMZFEM-UHFFFAOYSA-N 395.466 4.660 0 50 GJAA CCC(CC)(NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345302 VOKAOTRZMMBWRL-UHFFFAOYSA-N 399.422 4.707 0 50 GJAA C[C@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2cncnc2)cc1 2325738361 LBQPWVGRAJVRTO-NSHDSACASA-N 381.486 4.698 0 50 GJAA CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 878014 VHGMYJRWLWKVRQ-UHFFFAOYSA-N 389.477 4.515 0 50 GJAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 990829 PQBPNMUXWHRSQN-JOCHJYFZSA-N 384.387 4.574 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 1081631 VIEOAWKHSGCSNG-GFCCVEGCSA-N 376.547 4.669 0 50 GJAA O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(F)cc1 1126933 GLBMFKXOEMSVKL-UHFFFAOYSA-N 382.460 4.626 0 50 GJAA CCc1cccc(CC)c1NC(=O)c1ccc(I)cc1 4828354 IASPDMZSQOUGQT-UHFFFAOYSA-N 379.241 4.668 0 50 GJAA Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)c1ccoc1)C2 12048368 UQEIPXTYFHDQFY-INIZCTEOSA-N 390.464 4.598 0 50 GJAA CCCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 21720009 MZNFJTPEOSUFSZ-OAQYLSRUSA-N 380.492 4.753 0 50 GJAA COc1ccc2cc([C@H]3CN(c4nc(C)nc5sccc45)CCO3)ccc2c1 71711930 INECWDMIDDWXFH-HXUWFJFHSA-N 391.496 4.739 0 50 GJAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc2ccccc12 95503753 WCWXFODTNITHTI-LJQANCHMSA-N 383.499 4.567 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)nc1)N1CCC(Oc2ccccc2)CC1 139189074 FVYNRQXHXWPRLY-UHFFFAOYSA-N 389.455 4.949 0 50 GJAA COc1nc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc2ccccc12 170626954 IXJGCHDWXIFUBG-LLVKDONJSA-N 381.819 4.691 0 50 GJAA C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 239248060 XYXSWNLJRUZOJN-YWBOCLLSSA-N 385.551 5.660 0 50 GJAA CCOCc1cc(CN2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)ccc1OC 1506422495 PREWRPYHCLMSGJ-LJQANCHMSA-N 393.531 4.796 0 50 GJAA CCN(CCc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 2325704770 YDPSIGLPUOBVSD-UHFFFAOYSA-N 380.517 4.534 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3C)sc2Cl)cc1 634742 VUSTZJWYLUKVKZ-UHFFFAOYSA-N 378.906 4.990 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc(C)c1C 725070 WWPDZVWCZJJOHU-UHFFFAOYSA-N 382.279 4.556 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc3ncn(CCOc4ccccc4)c(=O)c23)C1 935975 DOINIWOWIZYNEP-OAHLLOKOSA-N 382.529 4.688 0 50 GJAA O=C(/C=C/c1ccccc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 950621 MCVSPFJUNORRRF-IZZDOVSWSA-N 389.295 4.651 0 50 GJAA CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 1182824 RKYXAGSZWAHVFP-UHFFFAOYSA-N 376.481 4.748 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2Cl)n1 2796569 WLKSUUOQFFYMNB-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA Cc1csc([C@H](C)N(C)C(=O)c2csc3nc(-c4ccccc4)cn23)n1 11664366 KLOBJKOMHDZVMB-ZDUSSCGKSA-N 382.514 4.661 0 50 GJAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2cccc3ccccc23)CC1 12439081 HNGZNRFAIQEIOK-QFIPXVFZSA-N 395.543 4.944 0 50 GJAA C[C@H](Oc1cccc(CN(Cc2ccccn2)C(=O)c2cncs2)c1)C1CC1 12452653 URHCXWNUIMDXPW-INIZCTEOSA-N 393.512 4.558 0 50 GJAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 36366344 DJABWDIXJBYBJW-XZOQPEGZSA-N 395.462 4.717 0 50 GJAA Cc1ccccc1-c1ncc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cn1 55370909 QHRQZABVFBBKOP-GOSISDBHSA-N 383.499 4.797 0 50 GJAA CN(C(=O)NC1CCCCCCC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 170654623 IDILSTZHNJJIOF-HXUWFJFHSA-N 386.927 4.974 0 50 GJAA CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)o1 194741757 DHXMODGIVNKPOZ-UHFFFAOYSA-N 399.497 4.570 0 50 GJAA CC(C)n1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cn1 263587440 GXUZXEMZVRWILT-IBGZPJMESA-N 384.483 4.941 0 50 GJAA CCOC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 263625204 XRRJGDIDYWFBOR-HZPDHXFCSA-N 399.903 4.943 0 50 GJAA Cc1ccc(-c2nc(CN3CCC[C@@]4(CCc5cnc(C)nc54)C3)c(C)o2)cc1 1704343786 YTVDBBFQUSFIGP-XMMPIXPASA-N 388.515 4.537 0 50 GJAA CC(=O)N1CCSc2ccc(NC(=O)N3CCC(c4ccccc4)CC3)cc21 2325718215 ZMGJADKXFREODV-UHFFFAOYSA-N 395.528 4.557 0 50 GJAA N[C@H](CCNC(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)Cc1ccccc1 2325866707 WZWAIUFKDGTMPV-FCEUIQTBSA-N 399.966 4.626 0 50 GJAA COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c12 648214 PREVXIWEGIOXSK-UHFFFAOYSA-N 381.284 4.871 0 50 GJAA COc1ccc(OC)c(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1 720578 HCFWKAMIUJSVAT-UHFFFAOYSA-N 396.057 4.965 0 50 GJAA CC(C)(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 726428 RTUJGRPSMWDIDT-UHFFFAOYSA-N 396.800 4.597 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 1184267 VGRGUIKGCUDYME-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA CCCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1cnccn1 2763305 FIGPYDJIEFQYSU-UHFFFAOYSA-N 395.484 4.641 0 50 GJAA CCN(CC)CCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 4832249 NXLZZOLFRASSFL-UHFFFAOYSA-N 375.516 4.672 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C(N)=O)C1 12381398 VTADXJRQKMHKAZ-PVAVHDDUSA-N 396.556 4.740 0 50 GJAA CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 12433605 AJNDVDDHLSLTTB-OAHLLOKOSA-N 379.426 4.647 0 50 GJAA CSc1ccc(CNC(=O)c2cc(COc3c(C)cccc3C)on2)cc1 12707495 KVIBMPLHVCMWMI-UHFFFAOYSA-N 382.485 4.522 0 50 GJAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC 36621174 DGHMOPQGGHVCAW-MRXNPFEDSA-N 390.867 4.735 0 50 GJAA CCC[C@@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 63855842 QPCBZINZJUNECK-MRXNPFEDSA-N 376.504 4.959 0 50 GJAA CCc1ncc(-c2c(-c3ccccc3)ncn2CCCc2nc(C)cs2)cn1 65404287 PMWLXHNUUAFKEJ-UHFFFAOYSA-N 389.528 4.967 0 50 GJAA COCCCN1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccs2)C1 65419065 LXYRHUITAMCSTO-SFHVURJKSA-N 381.545 4.637 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2ccccc2F)C1 71760159 SSJGGNVNTBNPBL-QGZVFWFLSA-N 377.463 4.701 0 50 GJAA CCOc1ccc(/C=C2/NCCc3cc(OCC)c(OCC)cc32)cc1OCC 100042629 OMFNSKIUKYOYRG-DEDYPNTBSA-N 397.515 4.925 0 50 GJAA world Cc1cccnc1[C@@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)C(C)C 115691942 VXWNZIOYJPIWMU-NRFANRHFSA-N 380.536 4.529 0 50 GJAA COC(=O)C1=CC[C@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 216758040 AOYXUIVZWKSQGP-DEOSSOPVSA-N 383.491 4.830 0 50 GJAA COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)ccc1O 263585897 NQYSROZBGVNGOE-GOSISDBHSA-N 398.462 4.878 0 50 GJAA biogenic Cn1c(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)cnc1-c1ccccc1 2100543813 YZJVYXBFDWRAPF-FQEVSTJZSA-N 377.463 4.984 0 50 GJAA Fc1ccccc1N1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1 1114845 OKOSTWOVUSALAD-UHFFFAOYSA-N 376.500 4.990 0 50 GJAA Cc1cc(C)c2nc(NC(=O)COc3ccc(Br)cc3)sc2c1 1216473 YRXPPOGIVYQWJE-UHFFFAOYSA-N 391.290 4.693 0 50 GJAA CC1(C)CC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CC(C)(C)N1 2641380 KPMGEJHSNVVKCE-UHFFFAOYSA-N 387.351 4.578 0 50 GJAA CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2876949 VVHIZFBTEHDBDJ-UHFFFAOYSA-N 381.828 4.882 0 50 GJAA COc1ccc(OC)c(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 4543183 QPJUKRRGMYXURN-UHFFFAOYSA-N 390.650 4.682 0 50 GJAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 4899628 JBZXLQHJZHITMW-RTOPAQNCSA-N 391.467 4.653 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@H](C)Cc3ccccc3F)CC2)c1 11709144 FZFJRRUYCKLWBD-GOSISDBHSA-N 398.522 4.896 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(CCCn2cccn2)C1 12093688 MTIXMOUMWMVFBQ-OAQYLSRUSA-N 391.490 4.674 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cnn(-c3ccccc3)c2)c1C 15078277 MWXKKBRWAUGJIZ-HSZRJFAPSA-N 397.526 4.842 0 50 GJAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1c1ccccc1 36360280 MVGPDFOCUGGZGI-GOTSBHOMSA-N 395.462 4.717 0 50 GJAA O=C(O)c1cccc(/C=C2/C[C@@H]3[C@@H](/C=C/[C@@H](O)C4CCCCC4)[C@H](O)C[C@H]3C2)c1 45789247 OINUMRGCICIETD-SDQNTTQASA-N 396.527 4.673 0 50 GJAA in-vitro CCc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1 169760330 SLLRJGPWVXLIQY-HXUWFJFHSA-N 381.863 4.623 0 50 GJAA CN(Cc1cc(Cl)cc2c1OCOC2)[C@]1(c2ccccc2)CCCCC1=O 170607266 FHDDTPPVTSUDJU-QFIPXVFZSA-N 385.891 4.677 0 50 GJAA CC1([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCCCC1 394665719 IFIPWXDCTFSSKZ-NRFANRHFSA-N 393.483 4.949 0 50 GJAA CC[C@@]1(C(=O)NCc2ccsc2)C[C@@H]2CC[C@H]1N2Cc1ccc2[nH]ccc2c1 1857721883 KHRQXCFSMCWLTC-XKCSPQBFSA-N 393.556 4.679 0 50 GJAA C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)n2cnc3ccccc32)Cc2ccccc21 1875259262 XIHYZUQGHZHKTC-HOYKHHGWSA-N 381.479 4.772 0 50 GJAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCCCc3cc(Cl)ccc32)CC1=O 2325820009 XWHLUBNIZOXGMO-LPHOPBHVSA-N 396.918 4.619 0 50 GJAA O=C(c1ccc(NC2=NCCC2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822715 KFDVCQTYRQFWPP-UHFFFAOYSA-N 397.906 4.628 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2c(c1)OCO2 1116345 RUPUSIJAZNJOKI-UHFFFAOYSA-N 395.436 4.573 0 50 GJAA CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 1169150 WDELYCUYUTUADB-UHFFFAOYSA-N 382.504 4.530 0 50 GJAA O=C(/C=C/c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 1198864 ZQUUOMBDZLLJTN-FPYGCLRLSA-N 377.238 4.850 0 50 GJAA CC(C)OC(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 1440022 IDIJCGGEXKWPBU-UHFFFAOYSA-N 392.480 4.532 0 50 GJAA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C)nn5C)nc4c23)C1 2798610 ZYHFTZZNLCYJJC-CYBMUJFWSA-N 394.548 4.589 0 50 GJAA CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 2810404 YEUWZTISQFAGNZ-UHFFFAOYSA-N 392.480 4.533 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1OC 4880909 GBFGFCUGQFYLPS-UHFFFAOYSA-N 392.333 4.630 0 50 GJAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 6398917 SVPLOUSZMYLMFR-KRWDZBQOSA-N 394.902 4.609 0 50 GJAA CCc1nc(C)c(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)[nH]1 12300764 UUOLLMFJTAWQPY-IBGZPJMESA-N 387.527 4.627 0 50 GJAA FC(F)(F)c1cccc(NC(=S)Nc2ccc(Br)cn2)c1 13330390 CBAFDNNURIDNJM-UHFFFAOYSA-N 376.201 4.672 0 50 GJAA O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@@H]1c1ccco1 33012286 RKOPQITVZRCYGK-OAHLLOKOSA-N 387.233 4.674 0 50 GJAA Cc1ccc(F)c(C(=O)Nc2c(C)cnn2Cc2cccc(F)c2)c1Cl 55327036 DHXNJLNPBOPYTF-UHFFFAOYSA-N 375.806 4.732 0 50 GJAA CCn1ncc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1C 67712714 BIAFPDVPYYOJOG-UHFFFAOYSA-N 397.906 4.632 0 50 GJAA O=C(O)C[C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 100226609 OAZYEKKFVGYBHJ-IYBDPMFKSA-N 379.456 4.559 0 50 GJAA CCOC(=O)c1c(C)[nH]c(-c2csc(-c3c(C)nc4sccn34)n2)c1C 169984360 UREHCNXFWBSCKN-UHFFFAOYSA-N 386.502 4.616 0 50 GJAA O=C(Nc1ccccc1C(F)F)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 425702664 NIGLGTYNURVHHU-SNVBAGLBSA-N 388.340 4.778 0 50 GJAA O=C(Cc1csc2ccc(Cl)cc12)N1Cc2ccc(O)cc2C2(CC2)C1 462554325 PRTUODIHTKZRON-UHFFFAOYSA-N 383.900 4.877 0 50 GJAA Cc1cccc([C@@H](NC(=O)N2CCC(COC(C)C)CC2)c2ccccc2)c1 584897602 PEGPUEUMVZPQLQ-QHCPKHFHSA-N 380.532 4.931 0 50 GJAA O=C(c1cnn(Cc2ccccc2)c1)N1CCCC[C@H]1CCc1cccs1 952968127 AXHFDPVEHMNFMV-FQEVSTJZSA-N 379.529 4.620 0 50 GJAA COc1ccc(/C=C/C(=O)O)cc1COc1ccc(Cl)cc1Br 1012104 GUUNKIUTGPKRQI-XVNBXDOJSA-N 397.652 4.788 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)N1c2ccccc2Sc2ccccc21 1150040 ZZVHASBBBZQPIL-UHFFFAOYSA-N 376.437 4.928 0 50 GJAA O=C(CSCC(=O)n1c2c(c3ccccc31)CCCC2)Nc1ccccc1 1422245 CUJUWSYYGFCNCK-UHFFFAOYSA-N 378.497 4.532 0 50 GJAA C[C@H](c1ccccn1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 11820537 AKZMVEIFYOALHF-OAHLLOKOSA-N 389.430 4.786 0 50 GJAA Cc1c([C@H](C)NCc2ccccc2OC(F)F)cnn1-c1cccc(F)c1 12584240 QDXSOFZZDLCWRP-ZDUSSCGKSA-N 375.394 4.772 0 50 GJAA CC(C)c1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(O)c2)n[nH]1 20998407 HSSJIGGWBGVLMU-XMMPIXPASA-N 386.499 4.868 0 50 GJAA CCOC(=O)C1(CCOC)CCN(Cc2sc3ccccc3c2Cl)CC1 55071548 IBOOPLKAMZIOAY-UHFFFAOYSA-N 395.952 4.737 0 50 GJAA Cc1ccc2c(C(=O)N(C)C3CCCCC3)cc(-c3cnn(C)c3)nc2c1C 63870181 HTAQJMVWHQSGRL-UHFFFAOYSA-N 376.504 4.657 0 50 GJAA CC(=O)Nc1ccc(NCc2csc([C@@H]3CCCO3)n2)c(C(F)(F)F)c1 134805885 UWZNTOIKVRPRTH-HNNXBMFYSA-N 385.411 4.584 0 50 GJAA Cc1cccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1C 169759751 ZMGAAAKGJSYENB-HXUWFJFHSA-N 381.863 4.677 0 50 GJAA Cc1csc(C2(NC(=O)Nc3ccccc3-n3nc(C)cc3C)CCCC2)n1 170632067 DAOWREMCZQNSDS-UHFFFAOYSA-N 395.532 4.845 0 50 GJAA Cc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 263618868 VWWCGJNAMFECKG-LJQANCHMSA-N 392.846 4.833 0 50 GJAA Cc1ccsc1[C@H]1Cc2c(C(=O)O)c(=O)cc(C)n2-c2ccccc2S1 299798260 QUJRZOFPLKQYRC-QGZVFWFLSA-N 383.494 4.604 0 50 GJAA COc1ccc([C@]2(C(=O)Nc3ccccc3CN3CCCC3)CC2(C)C)cc1 952985123 CCGJDMKYVURACU-DEOSSOPVSA-N 378.516 4.597 0 50 GJAA COc1ccc2cc(-c3oc4cc(OC)c(OC)cc4c3CC(=O)O)ccc2c1 1857526695 TVZHYAJFLWFVMX-UHFFFAOYSA-N 392.407 4.906 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 670175 RRFXYDGKSRLLRF-QGZVFWFLSA-N 387.435 4.676 0 50 GJAA O=C(NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 865984 NPYPPDWCUIABSE-DLBZAZTESA-N 392.425 4.606 0 50 GJAA O=C(Nc1ccccn1)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 1421276 DWTYUDZMAOGYPA-UHFFFAOYSA-N 385.467 4.784 0 50 GJAA O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl 1852771 NMGWHNLXERMXNJ-UHFFFAOYSA-N 395.842 4.638 0 50 GJAA Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2ccccc2)o1 2804174 AYHRQLXHTVCDIV-SECBINFHSA-N 383.196 4.551 0 50 GJAA COc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl 2861874 ZYPVXONYKJSPPT-UHFFFAOYSA-N 386.698 4.842 0 50 GJAA CCn1cc(-c2nnc(SCCOc3ccccc3F)n2C)c2ccccc21 4759586 QASQTSRLMGNPCY-UHFFFAOYSA-N 396.491 4.767 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 5050870 UYAGGRSNPRQIQC-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA c1ccc(-c2cc(CNc3nncc(-c4cccc5ccccc45)n3)n[nH]2)cc1 12317171 OMBYYCYQFOKCSR-UHFFFAOYSA-N 378.439 4.694 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCc1ccco1 14965240 PHALATYYVNJVSZ-LJQANCHMSA-N 377.488 4.536 0 50 GJAA Cc1cc(C)n(CCCNC(=O)c2ccc3nc(C4CCCCC4)oc3c2)n1 14977880 XBWYTGHYPMSCQD-UHFFFAOYSA-N 380.492 4.509 0 50 GJAA C/C=C(\C)CN1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 15067053 JMMSBZIRLZCNII-VXQLYJCQSA-N 378.516 4.979 0 50 GJAA Cc1nc([C@@H](C)Nc2nncc(-c3cccc(C(F)(F)F)c3)n2)c(C)s1 67967086 GQXSOJXXYHYLAH-SECBINFHSA-N 379.411 4.804 0 50 GJAA Cc1cc(C)n(-c2ccc(NC(=O)NCCCSCc3ccco3)cc2)n1 97334323 PEFYQGYKMIDCJV-UHFFFAOYSA-N 384.505 4.527 0 50 GJAA C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc2cc(Cl)ccc2o1 123104257 HZGHBAKTEXEBFR-MEBBXXQBSA-N 386.810 4.529 0 50 GJAA Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCCOc2ccccc21 170608666 NLZCKYOAYUCHRA-HXUWFJFHSA-N 392.455 4.514 0 50 GJAA CC(C)c1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1 170629020 OJPRFHSYDTUODW-IBGZPJMESA-N 380.532 4.531 0 50 GJAA Cc1nc(C)c(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)o1 170669084 GWBSIKLBGUACJB-UHFFFAOYSA-N 379.272 4.960 0 50 GJAA C[C@H](CNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)c1ccccc1 241231136 KSJHQVXTFYGNND-NZSAHSFTSA-N 378.541 5.490 0 50 GJAA Cc1noc([C@@H]2CCCN2C(=O)c2cccc(-c3ccc(C)c(Cl)c3)c2)n1 426497489 WJCAEGYSLNUHHV-IBGZPJMESA-N 381.863 4.984 0 50 GJAA Cc1nc(-c2ccc(C(=O)N3Cc4ccccc4C[C@H]3c3ccccc3)cc2)n[nH]1 469017267 SPROZXXKXMPETM-QHCPKHFHSA-N 394.478 4.720 0 50 GJAA Cc1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)ccc1Oc1ccncc1 487706661 YWFMNSHFOQIICK-UHFFFAOYSA-N 388.402 4.759 0 50 GJAA CN(C)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 1435852467 GHJIYAVIOJIPBC-UHFFFAOYSA-N 386.430 4.754 0 50 GJAA COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 1772491500 UMMXMHAQABXWQG-AATRIKPKSA-N 386.662 4.733 0 50 GJAA O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCC[C@H]1C1(O)CC1 1772814874 SJESXOFWPNMSBG-SFHVURJKSA-N 380.875 4.618 0 50 GJAA CO[C@](C)(c1ccc(NC(=O)c2cn3cccc(Cl)c3n2)cc1)C(F)(F)F 2325861968 DQRYTPYVYZCKRL-QGZVFWFLSA-N 397.784 4.664 0 50 GJAA Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 837578 JPIGMVRSWOKMLT-UHFFFAOYSA-N 379.304 4.616 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1115681 COQVOHAELNLDTB-GFCCVEGCSA-N 395.286 4.994 0 50 GJAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1C 1166498 PKDVBYHPQWTKGZ-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 1181647 SWLZOVULHAZSNZ-UHFFFAOYSA-N 394.327 4.720 0 50 GJAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)c1 12163153 VGYMLWZRCDFUMK-GOSISDBHSA-N 392.528 4.545 0 50 GJAA Cc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1C 13009898 MGDWWUGNGBWKLD-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 15063399 WDUPXBGVNPTUHJ-QGZVFWFLSA-N 394.494 4.641 0 50 GJAA COc1cc(/C=C/CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O 15063717 RCKDPRJDQQCJBP-YWPBOTNQSA-N 385.891 4.662 0 50 GJAA O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27899797 PABGWWMFLVAQEF-XMMPIXPASA-N 395.462 4.511 0 50 GJAA Cc1cccc(C(C)C)c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 52537569 IBAHJHFLDCPYOI-UHFFFAOYSA-N 385.939 4.533 0 50 GJAA COc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)cn1 67850953 LGFMDUYOCJSYHR-IBGZPJMESA-N 387.483 4.562 0 50 GJAA CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C3CC3)s2)cs1 173950372 SYRAEMSROWYXIS-UHFFFAOYSA-N 388.543 4.849 0 50 GJAA CCCCCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cn2ccnc2)c1 225509618 JQGBNTLYTQELFB-UHFFFAOYSA-N 379.479 4.903 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)cc1Cl 252512550 SBHSZCFQSJWHBB-XYPHTWIQSA-N 386.879 4.690 0 50 GJAA CCn1cc(-c2cccc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)c2)cn1 299791057 DASGZZZGBPCVDF-UHFFFAOYSA-N 379.891 4.685 0 50 GJAA Cn1ccc([C@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)n1 931086139 GDAIBLRBVKSQHC-AWEZNQCLSA-N 394.441 4.672 0 50 GJAA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(N[C@H]2C[C@@H]2C(F)(F)F)c1 1875335527 ROXLXWPALVCDCD-GJZGRUSLSA-N 383.801 4.587 0 50 GJAA COc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 1113090 MUXNSVVPXLDNHD-UHFFFAOYSA-N 392.293 4.773 0 50 GJAA CC(C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br 2856291 PFSGVPXYWJRWHR-UHFFFAOYSA-N 396.712 4.919 0 50 GJAA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 2979103 MRXIIJAYFZUYAH-UHFFFAOYSA-N 391.427 4.761 0 50 GJAA COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)cc1Cl 4868605 OCHWLVIJCPEKPZ-LLVKDONJSA-N 384.259 4.725 0 50 GJAA CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8723218 BRWJASGRLNXZSM-UHFFFAOYSA-N 380.488 4.744 0 50 GJAA O=C(COc1ccccc1Br)Nc1nc(-c2ccccc2)cs1 9331780 NZVDFSFDSJZXOZ-UHFFFAOYSA-N 389.274 4.590 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3nc(C)c[nH]3)c(-c3cccc(C)c3)n2)cc1 11664720 REZDHVOOVHMCMR-UHFFFAOYSA-N 385.515 4.820 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)C3CCN(C)CC3)c(-c3ccccc3)n2)c1 15078752 ZTFAHXKMEZCCKO-UHFFFAOYSA-N 388.559 4.682 0 50 GJAA CC(C)c1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)cc1 71375680 KANXZOZPQNIAKX-UHFFFAOYSA-N 387.487 4.600 0 50 GJAA C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@@H]1C(=O)O 72481807 CJXLKGZDLUALHA-NFBKMPQASA-N 379.456 4.559 0 50 GJAA O=C(OCc1ccnc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12 121886268 HKHUPNUBDYTUDU-UHFFFAOYSA-N 375.815 4.702 0 50 GJAA O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccccc2Cl)o1 170641790 QXKUJORNYFALEU-UHFFFAOYSA-N 395.846 4.772 0 50 GJAA CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1OC 822752098 KMHBMGNTBZQGMB-UHFFFAOYSA-N 394.393 4.634 0 50 GJAA FC(F)(F)c1cccc(-n2nc(-c3cscn3)nc2C2=COCCC2)c1 1875325184 SRIQHOXMLLTILE-UHFFFAOYSA-N 378.379 4.561 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CCCCC3)cc1 708176 ZDKNCKHAIBBTFT-UHFFFAOYSA-N 382.529 4.814 0 50 GJAA COC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 723473 HLNXPGFGXMLXLM-UHFFFAOYSA-N 382.243 4.576 0 50 GJAA COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1 1114353 OJNFLQLLCMPOGQ-UHFFFAOYSA-N 391.452 4.655 0 50 GJAA COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1130540 DHCFLYQUOOJLHH-UHFFFAOYSA-N 389.860 4.942 0 50 GJAA O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 1173972 ROAGQBDJBRHZOP-UHFFFAOYSA-N 388.044 4.796 0 50 GJAA N=C1NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)S1 5102570 GZHZRHCNSZJKSF-NSIKDUERSA-N 397.258 4.850 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nn1C 6787290 PKSRUNJHSJCMOV-UHFFFAOYSA-N 376.847 4.849 0 50 GJAA Cc1c(CN[C@H]2CCCc3c2cnn3-c2ccccn2)[nH]c2c(Cl)cccc12 12309034 PTJDIZYHVQRJSX-SFHVURJKSA-N 391.906 4.878 0 50 GJAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc2nc(C3CC3)oc2c1 12319864 OJRIVGMJOJAMCM-NRFANRHFSA-N 387.414 4.759 0 50 GJAA Cc1ccccc1Oc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F 20513361 HGEJCOFNWHPLGN-GQCTYLIASA-N 381.369 4.689 0 50 GJAA COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4ccccc4)ccc23)cc1 55396232 WCACUNBWQGGYOW-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA biogenic CN1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 65362550 RWOXAZXBBDEDJJ-UHFFFAOYSA-N 379.287 4.719 0 50 GJAA Cc1csc(CCNC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)n1 263587037 BGDMQTANCRRHIJ-OAQYLSRUSA-N 389.524 4.745 0 50 GJAA CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)cc2s1 296548603 QRIPRHNUGFOZKK-SJLPKXTDSA-N 396.516 4.857 0 50 GJAA Clc1ccc([C@H]2CN(C3CCN(Cc4ccco4)CC3)CCO2)cc1Cl 1506417650 AVCZCIPVSDUDDH-HXUWFJFHSA-N 395.330 4.624 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C1)CC2 1704315499 HLPJECILNSVOOG-AREMUKBSSA-N 381.523 4.836 0 50 GJAA O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1 1875264627 VPNHMHYRZYFPKH-UHFFFAOYSA-N 392.480 4.528 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 823524 AGRPSXWHMDRNFP-QGZVFWFLSA-N 397.302 4.887 0 50 GJAA CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1119258 JNNJHIRDHUTQDI-ZDUSSCGKSA-N 377.868 4.888 0 50 GJAA Cc1c(Cl)cccc1N1C(=O)C[C@H](Cc2ccc(Br)cc2)C1=O 1205234 VABBIMDZOLSXEA-ZDUSSCGKSA-N 392.680 4.533 0 50 GJAA COc1cccc(C(=O)O)c1NC(=O)OCC1c2ccccc2-c2ccccc21 2582963 XOORNHZYVFASIG-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA COc1ccc(OCCCCOc2ccc(I)cc2)cc1 2904948 RPTKQKDDXNEYGZ-UHFFFAOYSA-N 398.240 4.538 0 50 GJAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)O 5756620 SPUOPTCIVFNKFX-NWDGAFQWSA-N 383.288 4.554 0 50 GJAA CC(=O)c1cccc(CN(C)C[C@H]2CCCN(CCc3ccccc3C)C2)c1 11707100 MUQCUIXGWFWQEJ-HSZRJFAPSA-N 378.560 4.584 0 50 GJAA CC[C@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12150638 VKEOCIHFBJPSSE-XHDPSFHLSA-N 391.920 4.737 0 50 GJAA Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 13122579 LQQXZIJRHRFAGZ-FGZHOGPDSA-N 398.491 4.861 0 50 GJAA aggregator O=C(O)c1cc(-c2ccccc2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 13645091 VSUWYCCIKAAKRD-UHFFFAOYSA-N 398.344 4.539 0 50 GJAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H](NCCC1=CCCCC1)CC3 19743965 JVFPJRALXCXUFP-QGZVFWFLSA-N 397.588 4.911 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2ncoc2C(C)C)CCO3)cc1 67713536 XVQRFARKBJEFEX-UHFFFAOYSA-N 392.455 4.514 0 50 GJAA COc1ccc(Cl)cc1CN[C@H](c1ccccc1Cl)c1nccn1C 170072131 XCOSFTUTAVKCPV-GOSISDBHSA-N 376.287 4.615 0 50 GJAA CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccn1 225703300 VFEDEPNALGAISL-GOSISDBHSA-N 387.455 4.785 0 50 GJAA O=C(Nc1ccsc1Cl)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 279124470 WEYQESBXVHTWRK-MRVPVSSYSA-N 378.807 4.555 0 50 GJAA COc1cccc(-c2cc(CNC(=O)N3CCCCC[C@@H]3c3ccco3)on2)c1 584899875 MIDRFSRAXQUYSY-HXUWFJFHSA-N 395.459 4.770 0 50 GJAA Cc1nc2cc(-c3ccc(Br)cc3)nn2c(N)c1-c1ccccc1 713390 LDKASASQFUJGRT-UHFFFAOYSA-N 379.261 4.716 0 50 GJAA C[C@H](c1ccccc1)N1C(=O)c2ccc(Oc3ccc(C(=O)O)cc3)cc2C1=O 990911 YXHYOFGCOMQQIP-CQSZACIVSA-N 387.391 4.534 0 50 GJAA COc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1 1073129 BJABQQMQPRVRNV-UHFFFAOYSA-N 387.391 4.846 0 50 GJAA CCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 1112190 JXAODIDUFUKQMR-UHFFFAOYSA-N 376.456 4.893 0 50 GJAA CCOc1ccccc1NC(=O)CSCc1ccc(Br)cc1 1116696 NIKCNTYAYQSCGL-UHFFFAOYSA-N 380.307 4.720 0 50 GJAA CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1Cl 1174033 SREWKYYNLOOBQJ-UHFFFAOYSA-N 383.300 4.827 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3ccccc3n2)cc1OC 4611809 PUERRDXTUCPOCV-MRXNPFEDSA-N 390.483 4.791 0 50 GJAA O=C(C[C@H]1CC(c2ccccc2)=NN1c1ccccc1C(=O)O)c1ccccc1 6668850 UTDXPNMECYJFJX-LJQANCHMSA-N 384.435 4.641 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@H](C(=O)c2ccccc2SC)C1 11933507 VUPZYWWTUXURLT-INIZCTEOSA-N 385.529 4.521 0 50 GJAA CCn1ccnc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 12307274 XLBUQQXYYIGMPT-HXUWFJFHSA-N 381.907 4.737 0 50 GJAA O=C(C[C@@H]1C=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67851916 AWFCGXKVNMJXRJ-OAHLLOKOSA-N 383.875 4.790 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(c2nccs2)C1 95505572 GXURZKQRUUGSLQ-QGZVFWFLSA-N 381.476 4.804 0 50 GJAA Cc1ccccc1OCCNC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 109924287 ABVYXQMWCSYPEL-PKNBQFBNSA-N 392.430 4.530 0 50 GJAA O=C(N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1)C1(c2ccccc2)CC1 169754566 ZXOQMCGGLKGWRE-SFHVURJKSA-N 393.874 4.785 0 50 GJAA Clc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccccc2)OC3)n1 263619469 YUHXFSJEMDTZSZ-GOSISDBHSA-N 378.819 4.525 0 50 GJAA CCc1nccn1C[C@@H](C)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 1506397282 RJCVVHCIXUWSMH-MRXNPFEDSA-N 397.954 4.757 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 636830 SJNOQHFPPBHTIM-LLVKDONJSA-N 377.893 4.955 0 50 GJAA CC(C)COC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 942344 RVFWFZMMOJBFRQ-UHFFFAOYSA-N 376.250 4.514 0 50 GJAA Cc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 990956 BXXBRYYBMOYBLC-UHFFFAOYSA-N 398.418 4.752 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCCC2 995721 OUATYZQCIFKMJM-UHFFFAOYSA-N 375.465 4.975 0 50 GJAA Cc1nc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Br 1118632 FPOFWNXZGWXKHE-UHFFFAOYSA-N 397.272 4.984 0 50 GJAA COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2715125 ICLDCYUKENCFMH-UHFFFAOYSA-N 378.863 4.799 0 50 GJAA CC(=O)c1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 4543233 XORFWQKWHILIIR-UHFFFAOYSA-N 382.419 4.961 0 50 GJAA Cc1nn(C)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1Cl 6526074 DDDHCDMXPQDEKC-UHFFFAOYSA-N 390.940 4.559 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(Cc2ccccc2)CC1 12320699 YWWPBRWIZRMLDB-UHFFFAOYSA-N 387.483 4.725 0 50 GJAA Cc1cccc(N2CCC(N3CCC(CO)(Cc4ccccc4)CC3)CC2)c1C 39444980 QWLZXUMSHQABDE-UHFFFAOYSA-N 392.587 4.589 0 50 GJAA CC(C)Sc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1 96141309 BNSWLCFPGPSTEZ-FQEVSTJZSA-N 385.533 4.560 0 50 GJAA CC(=O)n1nc(C)c2c(-c3ccccc3)c3cc(Br)ccc3nc21 842134 UGMJOSKGJFNLJO-UHFFFAOYSA-N 380.245 4.983 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 1049799 MHKWZBDUXWOMPQ-UHFFFAOYSA-N 376.909 4.625 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C2CC3CC(C2)CC1C3 1052409 GTNLJSFMUZLUAU-UHFFFAOYSA-N 388.870 4.997 0 50 GJAA COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 1143482 FZKZPSFBFOQBDX-UHFFFAOYSA-N 386.407 4.946 0 50 GJAA CCCOC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCCC2 2097885 RFYAZVXSGFFCOJ-UHFFFAOYSA-N 384.712 4.502 0 50 GJAA O=C(NCCOc1cccc2ccccc12)Nc1cc(F)c(F)cc1Cl 2870195 BIJOMLXXTGVLCX-UHFFFAOYSA-N 376.790 4.972 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1ccc(O)cc1)Nc1ccccc1-2 2915858 VPOPETLAHVFUDN-GOSISDBHSA-N 380.473 4.640 0 50 GJAA O=C(NCc1cccnc1)c1sc2cc(Br)ccc2c1Cl 4750197 GMQXVMYRVLXOLE-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA Nc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 6392445 GMCCAQCUFDMXGL-HTQZYQBOSA-N 385.889 4.785 0 50 GJAA CN(C(=O)c1cccc2ccccc12)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11933859 JTCKNBQBLZQMFG-JOCHJYFZSA-N 384.523 4.544 0 50 GJAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)c1ccco1)C2 12246964 BSJIEBXGUNYWHD-FQEVSTJZSA-N 398.462 4.845 0 50 GJAA Cc1ccc(-n2cc(CNCc3c(C)n[nH]c3C)c(-c3ccc(F)cc3)n2)cc1 15062934 LAVCBRARDDJJQS-UHFFFAOYSA-N 389.478 4.617 0 50 GJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c(C)n1 20615199 UFMQYAGCMZGGSA-UHFFFAOYSA-N 381.430 4.917 0 50 GJAA Cc1nc2c(C(=O)N3CCC[C@H](CCc4ccc(F)c(F)c4)C3)cccc2[nH]1 71498358 LHRJKLQWCQDTQV-MRXNPFEDSA-N 383.442 4.635 0 50 GJAA O=C(CCCc1ccc(Cl)cc1)N1CCC(c2nccn2CC2CC2)CC1 95380818 RJUOLXFDRQMERX-UHFFFAOYSA-N 385.939 4.675 0 50 GJAA O=C(Cc1cccc(Br)c1)O[C@@H](c1ccccc1)c1ccncc1 170617058 HWVIAQFJUDFTGE-FQEVSTJZSA-N 382.257 4.719 0 50 GJAA CN(C(=O)[C@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 253454736 AWPIQIYQLIIQOS-UXHICEINSA-N 386.451 4.717 0 50 GJAA CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cscc1C(F)(F)F 857579990 KLFMDAKPEXLRJV-UHFFFAOYSA-N 390.814 4.812 0 50 GJAA CC(C)(C)Cc1cn(CCCNC(=O)C2(CC3CCCC3)CCCCC2)nn1 1875343346 YFNOQMLMPNLMQV-UHFFFAOYSA-N 388.600 4.904 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Br 755614 BCJJCVHAEYSZDW-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1 2393445 IIIUODMAMXAVRP-UHFFFAOYSA-N 394.529 4.662 0 50 GJAA aggregator O=C(Nc1ccn(Cc2ccc(F)cc2)n1)C1c2ccccc2Oc2ccccc21 2765981 MBDXDBUOSTXGGJ-UHFFFAOYSA-N 399.425 4.947 0 50 GJAA O=C(N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2)cc1 4006363 GVBLNZMPDNCDMH-DRQCUQGNSA-N 389.495 4.753 0 50 GJAA O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2)CC1 4843367 BBFVZWBXZREWHY-UHFFFAOYSA-N 388.536 4.941 0 50 GJAA COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(Br)cc1O 4866180 ONRZXMUZUDEKOI-AWEZNQCLSA-N 398.256 4.791 0 50 GJAA Cc1ccc(CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)s1 11872003 HJVMDDPBGXUTQF-UHFFFAOYSA-N 392.981 4.763 0 50 GJAA CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331651 RMDWBRHCCYPJBI-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA COc1ccc(-n2cc(CNCCSC)c(-c3ccccc3Cl)n2)cc1 15065157 ICLOQBMYNFLOAE-UHFFFAOYSA-N 387.936 4.654 0 50 GJAA COc1ccc([C@@H]2N=C(c3ccc(C)cc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1OC 25504058 LYAALMLMHYRNEQ-RKVOSNSESA-N 384.479 4.939 0 50 GJAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1CCCc1c(C)n[nH]c1C 67868009 KTKDCLZFQLACOH-UHFFFAOYSA-N 388.519 4.796 0 50 GJAA CCOc1ccccc1CN(C(=O)c1oc2cc(OC)ccc2c1C)C1CC1 91656736 APSGLYUPRVKPQR-UHFFFAOYSA-N 379.456 4.953 0 50 GJAA CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cc2ccccc2[nH]c1=O 111308238 GQJTYKAWUHSPER-HXUWFJFHSA-N 382.891 4.534 0 50 GJAA O=c1oc2ccc(Br)cc2cc1-c1ccc(Br)cc1 629104 GXGLENGJHSKTQN-UHFFFAOYSA-N 380.035 4.985 0 50 GJAA Cc1ccc(-c2nc(CN3CCCCC3)cc(CN3CCCCC3)c2O)cc1 754191 SLQXSPDKMZEODT-UHFFFAOYSA-N 379.548 4.734 0 50 GJAA biogenic O=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1 2843696 FVXSYGFMACEWJH-ZWKOTPCHSA-N 399.940 4.861 0 50 GJAA CCOc1cccc(C(=O)Nc2cc(C)c(I)cc2C)c1 2856129 YRADVVHXLYWMHJ-UHFFFAOYSA-N 395.240 4.559 0 50 GJAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccc(Cl)cc1 12459782 VVHRMXPNMGMMTM-UHFFFAOYSA-N 388.914 4.506 0 50 GJAA Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)c(C)o1 13329256 IYJYPNFIQXKACG-UHFFFAOYSA-N 386.517 4.715 0 50 GJAA Cc1cccc(CN(C)C2CCN(c3cccc(-c4cscn4)c3)CC2)n1 63856208 HYCIMCZKCVNSOP-UHFFFAOYSA-N 378.545 4.614 0 50 GJAA c1cncc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3ccccc3n2)c1 63871736 BSGNFZYSMBHMGJ-UHFFFAOYSA-N 383.451 4.561 0 50 GJAA Cc1nn(C)cc1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 77252002 CUVQFBBYAZDHMJ-UHFFFAOYSA-N 391.563 4.809 0 50 GJAA Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 154236782 KBXNRXDKABNVQR-GOSISDBHSA-N 397.519 4.725 0 50 GJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)c1 239121177 JLZPIYNQRVMYFT-PPMYUTJDSA-N 385.463 4.653 0 50 GJAA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@H]2C1 239309533 HQPNSBBYHKECIY-XYPHTWIQSA-N 396.874 4.518 0 50 GJAA Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(-c4ccncc4)cc3)cn2)n1 481305882 HNRUGUVOAWYIPZ-IBGZPJMESA-N 383.499 4.797 0 50 GJAA O=C(c1ccccc1)N1CCC(NCC[C@@H](c2ccccc2)c2ccco2)CC1 828177806 AFJXOHQFHTUALV-QHCPKHFHSA-N 388.511 4.696 0 50 GJAA C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 913232946 PQHGEKVTONDBEO-KZULUSFZSA-N 391.298 4.762 0 50 GJAA CO[C@H]1C[C@@H](Cc2nc([C@@H](Oc3ccc(Br)cc3)C(C)C)no2)C1 1875331877 YDFUWYQMMRFQJU-MJEQTWJJSA-N 395.297 4.576 0 50 GJAA CC(C)(C)c1ccc(C(=O)C(=O)Nc2cccc(OCc3ccncc3)c2)cc1 2325722304 BZEQNVPSTRMBST-UHFFFAOYSA-N 388.467 4.780 0 50 GJAA CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 992941 NYFPFFJVOSIUQT-UHFFFAOYSA-N 387.435 4.742 0 50 GJAA COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 1010584 XKUPQMPRXKGODF-UHFFFAOYSA-N 385.423 4.593 0 50 GJAA CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC 1130411 DPIIYOSSOBXPGW-UHFFFAOYSA-N 380.517 4.567 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 2120985 FBQLTNAGNNVKKG-UHFFFAOYSA-N 382.243 4.821 0 50 GJAA COc1cc2c(cc1NC(=O)Cc1ccc(OC)c(OC)c1)oc1ccccc12 4694509 RKXDPYIUMSGJQJ-UHFFFAOYSA-N 391.423 4.793 0 50 GJAA CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 4842591 XVPFHVTUFSUNPV-UHFFFAOYSA-N 375.384 4.648 0 50 GJAA COc1ccc(Br)cc1/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 4949383 NGIYXCLTEFTVDL-GORDUTHDSA-N 390.321 4.556 0 50 GJAA OCC1(CCCc2ccccc2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 12301885 YVODWPLZEOMWST-UHFFFAOYSA-N 389.543 4.674 0 50 GJAA O=C(CCC1CCN(Cc2nc3c(s2)CCCC3)CC1)Nc1ccccc1 15071555 PNDGMLYQGMEOFX-UHFFFAOYSA-N 383.561 4.653 0 50 GJAA Cc1ccccc1Cc1nnc(NC(=O)N2CCCC[C@@H]2c2nccs2)s1 23544174 NKRHBDHRDHUTMN-OAHLLOKOSA-N 399.545 4.653 0 50 GJAA CCC[C@@H](C)N(CC)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)cccc12 63868758 LIRSTZPBHMZCLS-MRXNPFEDSA-N 376.504 4.959 0 50 GJAA Cc1cccc(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)c1O 67588583 VCZZZFGWUPBOFQ-UHFFFAOYSA-N 384.435 4.707 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cc2sc(N)nc12 71752653 PSVOGWQFINFUIA-INIZCTEOSA-N 397.519 4.811 0 50 GJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2nc(Cc3ccccc3)cs2)cs1 189344764 PIKFKCQUOGKXAD-KRWDZBQOSA-N 384.530 4.868 0 50 GJAA FC(F)Oc1cc(Br)cc(OC(F)(F)F)c1Br 263624462 QSQRQZHZUSUFPM-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA Cc1cnc(C2CCN(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)CC2)s1 277443275 JJOFKCOZASJNGM-UXHICEINSA-N 399.560 4.508 0 50 GJAA Cc1csc(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 464412811 AIYGQXVFHCFORG-ZDUSSCGKSA-N 388.493 4.913 0 50 GJAA CC(C)n1nc(-c2ccc(F)cc2)nc1[C@@H]1CCCN(Cc2ccccn2)CC1 1772815785 XAJTVUONNSRASD-LJQANCHMSA-N 393.510 4.830 0 50 GJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(NC(=O)c2ccco2)cc1 802335 QHGXTJCHSALSIV-UHFFFAOYSA-N 391.210 4.797 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)[C@H](Sc1ccccc1)c1ccccc1 4426500 YTKNXPZKJBWGIC-OAQYLSRUSA-N 377.465 4.565 0 50 GJAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(F)(F)F 5060114 LZRYGHWKPJYPSW-JTQLQIEISA-N 388.183 4.874 0 50 GJAA COC(=O)c1c(NC(=S)N2CCCc3ccccc32)sc2c1CCCC2 6288184 ZJJRXFNJDHGDBW-UHFFFAOYSA-N 386.542 4.563 0 50 GJAA Cc1cc2c(cc1CN[C@H]1CC(C)(C)Cc3nc(C(C)(C)C)ncc31)OCO2 12302772 GMAQRFGVNXVNRB-KRWDZBQOSA-N 381.520 4.615 0 50 GJAA CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 19143812 RZZYXUXBNPQJRC-UHFFFAOYSA-N 396.437 4.711 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2ccn[nH]2)c(C)s1 20601667 ILFFCDQTCRCXQE-UHFFFAOYSA-N 395.507 4.712 0 50 GJAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)c2ccccc21 55120492 KYZMDMDXVZMVFU-FQEVSTJZSA-N 398.462 4.864 0 50 GJAA O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1 253399621 DDIZOKWVWWLUTN-GOSISDBHSA-N 384.387 4.607 0 50 GJAA biogenic Cc1cccc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(Cl)nc12 253419504 YOWJTWMWRZCHHO-UHFFFAOYSA-N 379.847 4.576 0 50 GJAA O=C(Nc1ccsc1Cl)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 279124472 WEYQESBXVHTWRK-QMMMGPOBSA-N 378.807 4.555 0 50 GJAA O=C(Nc1ccc(-c2nncs2)cc1)N1CC2(CCC2)[C@@H]1c1ccccc1 298027858 FMPSHIQWLZVRKL-SFHVURJKSA-N 376.485 4.964 0 50 GJAA C[C@H](N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O)c1ccc(C(F)F)nc1 888101142 IJNCAUYOHIHFHK-KSMMKXTCSA-N 391.437 4.561 0 50 GJAA COc1ccc(CCC(=O)NCc2ccc(-c3ccccc3Cl)o2)cc1O 1772712101 HTCLLUZROXSOKV-UHFFFAOYSA-N 385.847 4.563 0 50 GJAA Cc1ccncc1[C@H](C)NC(=O)c1cc(-c2ccco2)nc2onc(C3CC3)c12 2325721433 APUQCMGDFGOEQX-ZDUSSCGKSA-N 388.427 4.555 0 50 GJAA Cc1ccc(Cn2cc(C(=O)N3CCc4cc(Cl)ccc4[C@H]3C)cn2)cc1 2325827327 BWQOKECTSFDWSC-MRXNPFEDSA-N 379.891 4.653 0 50 GJAA Cc1ccccc1CC1(O)CCN(c2ccnc3ccc(OC(C)C)cc23)CC1 2325852791 SYJTZTORKCDFEZ-UHFFFAOYSA-N 390.527 4.904 0 50 GJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(C(=O)OC)c1 940251 FYTUOMQLTDYNRS-UHFFFAOYSA-N 384.819 4.595 0 50 GJAA C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 1017542 JTUSTXAYPJQERE-INIZCTEOSA-N 392.886 4.615 0 50 GJAA CCOc1ccccc1NC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 1069236 JCMFIGMGKDFFCX-UHFFFAOYSA-N 383.879 4.853 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(C)c1C 1113011 TVZCGQXBYIGHGE-CMDGGOBGSA-N 381.856 4.986 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 2786875 HICMIHCZGSQZLX-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2ccc(C)nc21 2923351 QJSIDHFFSSLVJF-UHFFFAOYSA-N 399.450 4.769 0 50 GJAA COc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c1 4811189 SYMXLGOLNQSVFZ-OALUTQOASA-N 384.863 4.508 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)ccc2C)cc1 5579316 ULUSDQZMYINHAT-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA Cc1ccccc1SC1CCN(C(=O)c2cn(C3CCCCCC3)nn2)CC1 12031653 QIJZMGIYXITJDW-UHFFFAOYSA-N 398.576 4.879 0 50 GJAA Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 12246150 JXNDIIRPBXMMDW-QGZVFWFLSA-N 379.529 4.785 0 50 GJAA Cc1ccccc1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 12430527 KTJAISHVETYIOR-UHFFFAOYSA-N 392.543 4.665 0 50 GJAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CC34CCCCC4)CC2)c1 12440588 LFOXNMAHXYYOHN-NRFANRHFSA-N 382.548 4.923 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C(C)(C)C)on1 16605088 LSWVZEGCAUKHNS-UHFFFAOYSA-N 377.803 4.980 0 50 GJAA COc1ccc(Oc2ccc(NC(=O)N(C)CCC[C@H]3CCCO3)cc2)cc1 96163019 SVFRWONEJHVKRB-IBGZPJMESA-N 384.476 4.910 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4CC(C)C)[C@@H](c3ccco3)C2=C1O 888089587 PPFCTLHEBFCMFN-NRFANRHFSA-N 389.455 4.740 0 50 GJAA Cc1cccc(-c2nc(COc3cccc(F)c3)nn2[C@@H]2CCOC2)c1Cl 1772817461 PXOQXKJIHNFUTJ-OAHLLOKOSA-N 387.842 4.586 0 50 GJAA CCOc1cc(CN[C@H](C)c2ccncc2OC)ccc1OCc1cccs1 1875264573 IGKURAYSWYXTPG-MRXNPFEDSA-N 398.528 4.980 0 50 GJAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 680921 TUPNTLOORWAEQU-LBPRGKRZSA-N 376.909 4.989 0 50 GJAA CCC(=O)Oc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 804892 XEIGLCLYMYRBMY-QGZVFWFLSA-N 375.424 4.638 0 50 GJAA Cc1cc(C)cc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)c1 1120446 ZUBJHMPGLPPCKR-UHFFFAOYSA-N 391.467 4.615 0 50 GJAA CC(=O)N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl 2322989 CNYNKHLPLRDOFL-VIFPVBQESA-N 384.012 4.603 0 50 GJAA CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC 3986715 PSUFQBRCUSJTDO-UHFFFAOYSA-N 399.413 4.968 0 50 GJAA in-vitro COc1cccc(-c2cc(C(F)(F)F)nc(-n3c(C)nc4ccccc43)n2)c1 4787990 NJXYGUDRLCRWFC-UHFFFAOYSA-N 384.361 4.818 0 50 GJAA Cc1ccc(-c2c(C(=O)NCc3ccc(F)cc3)oc(=O)c3ccccc23)cc1 4972093 LINWIPCQVLRCQC-UHFFFAOYSA-N 387.410 4.838 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]3c3ccc(F)cc3)c(C)o2)cc1 12303794 LGKLABDCBKPHBE-OAQYLSRUSA-N 394.446 4.913 0 50 GJAA CN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12430784 CSSNYHCNBWXARB-UHFFFAOYSA-N 377.536 4.500 0 50 GJAA CCOc1cccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c(=N)oc12 17079915 IHTNZPNZCFDOMP-UHFFFAOYSA-N 391.452 4.687 0 50 GJAA Cc1nc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cs1 71777211 QGJGPZBBRYRFIU-AWEZNQCLSA-N 382.451 4.955 0 50 GJAA O=C(c1cccnc1N1CCC[C@@H](CCc2cccc(F)c2)C1)N1CCCCC1 72480051 JWZQSHLBIYSXBY-FQEVSTJZSA-N 395.522 4.696 0 50 GJAA CN(C)C(=O)c1cccnc1-c1ccc(OCc2ccc(F)cc2)c(Cl)c1 97711781 ICFXHJDVVBMNDC-UHFFFAOYSA-N 384.838 4.822 0 50 GJAA CN(C(=O)c1cscn1)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl 361803317 HXDQMMZCURDFFH-MRXNPFEDSA-N 378.284 4.707 0 50 GJAA C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1nc2ccccc2s1 734142641 WSPHJDJIQJUZKF-OAHLLOKOSA-N 389.480 4.761 0 50 GJAA C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 1875338623 FBDPCJMIBLTRBV-GYIHYUDTSA-N 391.437 4.547 0 50 GJAA COc1cc(Br)c(NC(=O)[C@@H]2CC=CCC2)c(Br)c1 1875339722 VHDWKWPVAOJBSH-SECBINFHSA-N 389.087 4.515 0 50 GJAA O=C(N[C@@]1(Cc2cccc(Cl)c2)CCOC1)c1ccc(-c2ccncc2)cc1 1875359144 WAYBNUWIWRQEGF-HSZRJFAPSA-N 392.886 4.534 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nccc4ncccc34)cc2)no1 2356158759 YHVSYEGZKXNTOW-NRFANRHFSA-N 384.439 4.571 0 50 GJAA CC(C)COc1ccc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1 632753 IRGHLZBUACMFCC-UHFFFAOYSA-N 388.265 4.613 0 50 GJAA COc1ccc2nc(NC(=O)CSc3cccc4cccnc34)sc2c1 1130586 DAXPKLWQSFJPRM-UHFFFAOYSA-N 381.482 4.584 0 50 GJAA Cc1cc(C)c(NC(=S)NC(=O)CCCOc2ccccc2)c(Cl)c1 1783129 QXJXMGRBZUDSOM-UHFFFAOYSA-N 376.909 4.629 0 50 GJAA CCC(C)(C)c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1 2862602 NTGPIDZHGRSUQA-UHFFFAOYSA-N 380.916 4.517 0 50 GJAA COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)c(OC)c1 2980956 YOARZOYWWYPZAY-NTEUORMPSA-N 399.855 4.916 0 50 GJAA CC[C@@H](C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O)c1ccccc1 4750425 AKJAGEMKCFRLTN-QGZVFWFLSA-N 378.497 4.955 0 50 GJAA O=C(C[C@@H]1CC(c2ccccc2)=NN1c1ccccc1C(=O)O)c1ccccc1 6668849 UTDXPNMECYJFJX-IBGZPJMESA-N 384.435 4.641 0 50 GJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC(C)C)c(OC)c1)CC(=O)N2 7342061 SUKANGHFQOULCA-MRXNPFEDSA-N 399.487 4.754 0 50 GJAA CN(Cc1ccn[nH]1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 11935887 JMOZYQMYUPINHF-UHFFFAOYSA-N 397.482 4.700 0 50 GJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)c1OC 12207564 PDLAORPIGYURNU-QHCPKHFHSA-N 388.467 4.926 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 12429463 WLMQEZPKFYCXIM-LJQANCHMSA-N 396.506 4.968 0 50 GJAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 15063398 WDUPXBGVNPTUHJ-KRWDZBQOSA-N 394.494 4.641 0 50 GJAA Cc1cccc(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)n1 19742532 WQURREVFRARJSU-IBGZPJMESA-N 376.479 4.674 0 50 GJAA COc1ccc(-c2nc(CN3CCOc4ccc(Cl)cc4C3)c(C)o2)cc1 55036736 NSVFXBWYCUUVAP-UHFFFAOYSA-N 384.863 4.707 0 50 GJAA O=C(c1cncc(F)c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71748913 MOMPKACIFFCFMN-CQSZACIVSA-N 380.385 4.725 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 95530062 BTGBNLCHGRNDES-AWEZNQCLSA-N 395.881 4.564 0 50 GJAA CC[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)c1cc(C)ccn1 96167123 WAGDBNXBBONCFL-IBGZPJMESA-N 380.492 4.792 0 50 GJAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1ccccc1 129132223 USXSKNCHRIURKN-GOSISDBHSA-N 391.475 4.850 0 50 GJAA Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21 170608667 NLZCKYOAYUCHRA-FQEVSTJZSA-N 392.455 4.514 0 50 GJAA C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(-c2cncnc2)cc1 170646456 DXWBUMYBLUVEFI-ZDUSSCGKSA-N 375.457 4.636 0 50 GJAA COc1cnccc1[C@H](C)NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 187477625 RIRCNVFECFVUMA-AWEZNQCLSA-N 389.446 4.584 0 50 GJAA CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@H]4C)c3C)C2)cc1 239306103 GKRYCEUTIPCYTN-FNXXIHLHSA-N 395.499 4.980 0 50 GJAA Cc1ccc(CN(C)C(=O)NCc2c(OC(C)C)ccc3ccccc23)nc1 239636968 BHVQNJSCGNANDF-UHFFFAOYSA-N 377.488 4.672 0 50 GJAA O=C(N[C@H](CCCO)c1ccccc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 241371364 MMZSDAKWUXKTFY-GBESFXJTSA-N 378.299 4.727 0 50 GJAA COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCC[C@H]2C)cc1 245238199 GAUGLBVEJRYEEX-WIYYLYMNSA-N 378.516 4.552 0 50 GJAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3occc3c2)cc1 247875722 GUHLHTGGOVXCDW-IRLDBZIGSA-N 376.500 4.538 0 50 GJAA C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)c1ccc(C[C@@H]2CCCC2=O)cc1 263585421 IJGOCTCQILJHKZ-HARLFGEKSA-N 390.527 4.851 0 50 GJAA biogenic Cc1nnc(-c2ccc(C(=O)N3CCCc4c3cccc4C(F)(F)F)cc2)o1 425643443 IIOZAWQVBVBHQI-UHFFFAOYSA-N 387.361 4.657 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1c(C)c2cc(Cl)ccc2oc1=O 1857797970 HARAIBPQLFXXQG-UHFFFAOYSA-N 378.211 4.669 0 50 GJAA COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 1128518 LAZVHAOWTQPBAK-SJORKVTESA-N 375.259 4.740 0 50 GJAA Cc1cc(I)ccc1NC(=O)c1ccc(C(C)C)cc1 1185721 WGWRSXGTWGSYLC-UHFFFAOYSA-N 379.241 4.975 0 50 GJAA COc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 4794723 JPPVAFWHLDQXDL-UHFFFAOYSA-N 377.492 4.559 0 50 GJAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 6399145 SVPLOUSZMYLMFR-QGZVFWFLSA-N 394.902 4.609 0 50 GJAA Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)o2)cc1 6751516 FJCNEUXGOTUCMM-WRHNGFHOSA-N 395.524 4.570 0 50 GJAA CCCCc1nc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c[nH]1 11935157 FYGLDLMVLJEJLX-INIZCTEOSA-N 393.453 4.866 0 50 GJAA Cc1ccc(-c2nnc(CCC(=O)NCCc3cccc4ccccc34)o2)s1 12020366 VONYCBURUPKELJ-UHFFFAOYSA-N 391.496 4.551 0 50 GJAA COc1cc(OC)c(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1Cl 13325250 ISYKOPQFKUCAMB-UHFFFAOYSA-N 389.883 4.597 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)C=C(C)C)C3)cc2)c1 15075889 DZZHLKBBLZCGON-FQEVSTJZSA-N 392.499 4.506 0 50 GJAA O=C(c1cccc(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 18247485 WLHWOEPDMHMNLY-UHFFFAOYSA-N 386.282 4.504 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@H]1CCn1cccn1 20861926 RVBLEKUYFGLHRB-KRWDZBQOSA-N 384.911 4.945 0 50 GJAA Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)c1C 67513464 IJFCKDZMGLPLBP-FQEVSTJZSA-N 378.516 4.833 0 50 GJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 71750328 HPVOPYQZSMTRKU-INIZCTEOSA-N 379.529 4.672 0 50 GJAA OCC1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 72480257 NZPIGYHVKDAWTM-UHFFFAOYSA-N 399.897 4.536 0 50 GJAA Cc1cc(N2CCC(c3nccn3Cc3ccccn3)CC2)c2ccccc2n1 95522542 WMWYOFXLBVFHQF-UHFFFAOYSA-N 383.499 4.567 0 50 GJAA Clc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2ncnn21 100716877 DSKPLSLUSGDKMD-MRXNPFEDSA-N 387.668 4.750 0 50 GJAA CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccncc2C)cc1 121313788 PAPHYTCADPJIRN-UHFFFAOYSA-N 392.459 4.688 0 50 GJAA CCn1cc(C2CCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)CC2)cn1 155177327 CFDSWLMWNNPQFA-ZDUSSCGKSA-N 395.334 4.860 0 50 GJAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](C(=O)O)C1 166634784 SQXYWBRSKPBHEI-PMACEKPBSA-N 381.472 4.779 0 50 GJAA CC(C)(C)c1nnc(CNc2ccc3cccc(Br)c3n2)s1 170666731 WAXMMQXYCMARNJ-UHFFFAOYSA-N 377.311 4.758 0 50 GJAA CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1Br 261506955 CWEFIPUMTQHCKT-HZPDHXFCSA-N 384.314 4.802 0 50 GJAA Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1oc2ccc(F)cc2c1C 471128550 CTPNENJUNLCQIB-UHFFFAOYSA-N 388.464 4.590 0 50 GJAA COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 658369 BLWNUFUTCUDORO-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA COc1cc(C(=O)Oc2ccc3c(c2)[C@@H](C)CC(C)(C)N3)cc(OC)c1OC 806574 OOFXJVZNXXYRML-ZDUSSCGKSA-N 385.460 4.629 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 871593 LCQVRNLJPLTZRY-ZOVQAKDCSA-N 393.486 4.643 0 50 GJAA biogenic C[C@@H]1CCCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)C1 2688974 DLCNVGUSMPKBGX-CQSZACIVSA-N 377.879 4.834 0 50 GJAA COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2977747 HDMZUSOJXNRXNP-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA COc1ccccc1N1C(=O)/C(=C/Nc2ccc(C)cc2C)c2ccccc2C1=O 2998017 REZNITIBNZELDL-HMMYKYKNSA-N 398.462 4.952 0 50 GJAA COc1ccc(Br)cc1/C=C\c1nc2ccc(Cl)cc2c(=O)o1 4953432 ZFEDFEYKUPNMEH-UQCOIBPSSA-N 392.636 4.783 0 50 GJAA C=Cc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1 12191926 MGEGFUXKFIRVJX-JOCHJYFZSA-N 376.544 4.665 0 50 GJAA Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1C 12585387 OZZZDBCZDVBRTC-UHFFFAOYSA-N 394.563 4.774 0 50 GJAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 12718290 BRWZEIZFASLXPT-MRXNPFEDSA-N 388.471 4.592 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 20601159 RFTXOBFYUXYLMM-SFHVURJKSA-N 391.540 4.894 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(O)c2)c(C)n1 20995546 QDTMIVJKAAYICR-XMMPIXPASA-N 386.499 4.546 0 50 GJAA COc1cc(NC(=O)c2cccs2)c(Cl)cc1NC(=O)c1ccccc1 22023149 LPGGIZJJCSBNSW-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA CCc1nn2c(-c3ccc(OC)c(OC)c3)ccnc2c1-c1ccc(F)cc1 71385193 CHFMQWKKBFFCMS-UHFFFAOYSA-N 377.419 4.782 0 50 GJAA CCCc1cc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)n(C)n1 95525873 IZQKOMIHIWXBCG-UHFFFAOYSA-N 387.527 4.595 0 50 GJAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccn(-c2ccccc2Cl)n1 252482698 DMEJMFUHEBHTKL-CYBMUJFWSA-N 386.805 4.720 0 50 GJAA Cc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 263618953 WGJJHBSCCACXNM-IBGZPJMESA-N 392.846 4.833 0 50 GJAA O=C(C[C@@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875338775 LNCNEFSVPOQAJJ-IPMKNSEASA-N 395.396 4.721 0 50 GJAA CCOc1cc(C(=O)N2CCCc3occc3C2)cc(-c2ccccc2)c1OC 2325732493 BRDXZUMRSBIYHY-UHFFFAOYSA-N 391.467 4.943 0 50 GJAA COc1cc(OC)c2ncnc(N[C@@H](C)c3ccc4nc(C5CC5)[nH]c4c3)c2c1 2325878726 ZLUFIYXTSSGEML-LBPRGKRZSA-N 389.459 4.574 0 50 GJAA CCc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2oc1=O 703388 WHMZXUYGBWSFMJ-UHFFFAOYSA-N 386.245 4.679 0 50 GJAA CCc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 780833 XBNTXULRBSRZLV-MRXNPFEDSA-N 394.418 4.709 0 50 GJAA CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cccc(C)c1 1122195 BGQHDCNSAVWLHX-UHFFFAOYSA-N 398.557 4.726 0 50 GJAA O=C(Nc1ccc(I)cc1Cl)c1cc2ccccc2o1 1217319 QBMQVBMUHHYEPX-UHFFFAOYSA-N 397.599 4.943 0 50 GJAA CC(=O)c1ccc(NC(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)cc1 4939594 CPJGPANMCKKBAK-UHFFFAOYSA-N 377.421 4.771 0 50 GJAA Cc1occc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12023628 FXQZQVRDSLQYNI-HXUWFJFHSA-N 377.488 4.879 0 50 GJAA COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)o1 12703929 RBPVMQCCLIBKBK-HXUWFJFHSA-N 393.483 4.683 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C 63872573 ANBYAGNKWYEWSG-OAHLLOKOSA-N 386.499 4.811 0 50 GJAA O=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1cccc2cnccc12 170621971 FMBPYOUQDWZSTK-UHFFFAOYSA-N 395.890 4.758 0 50 GJAA CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@H]4C)c3C)C2)cc1 239306102 GKRYCEUTIPCYTN-DAESXHAQSA-N 395.499 4.980 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@H]1Cc1ccccc1 240744134 HUUODBQVWVZRDT-YTQUADARSA-N 384.317 4.786 0 50 GJAA C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3C)c2)[C@@H]1C 245380178 SMTHNRGBDWWTEJ-XMTFNYHQSA-N 386.540 4.991 0 50 GJAA COc1cccc([C@@H]2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C2)c1OC 1506430573 XMSJYTRYAUUQRK-QGZVFWFLSA-N 397.906 4.532 0 50 GJAA CC(C)[C@@H](C)n1nc([C@H]2CCCO2)nc1-c1cccc(OCc2cccnc2)c1 1875331115 QAHCNDLOHLTWPI-DYESRHJHSA-N 392.503 4.988 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3c(C)nn(C(C)C)c3C)C2=O)cc1 2356135605 LVXYTVSWSZWVCA-XMMPIXPASA-N 394.563 4.551 0 50 GJAA O=C(Cc1ccc(Cl)cc1)OCc1cccc(C(=O)Oc2ccccc2)c1 1124230 XMKYHHKANDWOFF-UHFFFAOYSA-N 380.827 4.845 0 50 GJAA CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 1136553 RCDVATWDBCIIEB-UHFFFAOYSA-N 393.508 4.784 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 1173590 RFCKNNFTIIOHLB-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 2301706 DNWLTSAILFUQMW-UHFFFAOYSA-N 386.588 4.809 0 50 GJAA Cc1ccc(Cl)cc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 4619381 LJLLZDWWTFCRMR-UHFFFAOYSA-N 386.967 4.904 0 50 GJAA COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCc2ccccc2-4)cc1 4811871 VDYNTXXHZMEDPD-UHFFFAOYSA-N 392.505 4.884 0 50 GJAA Cc1cc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(C)c1 5051500 FOEFASGZMVNQQG-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1 6043634 UZCNWFMPVOQZLE-UHFFFAOYSA-N 384.435 4.520 0 50 GJAA CC(=O)c1cc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cs1 12744514 DWSQYTANHDKUKR-INIZCTEOSA-N 388.508 4.721 0 50 GJAA CCCCN(C)C1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 14982630 CVBMRNVJPGJCLV-FQEVSTJZSA-N 393.575 4.878 0 50 GJAA N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1 19900340 CUZKIAWWRBJFLM-UHFFFAOYSA-N 375.447 4.579 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 55072137 PUYMCWMRLRRPHL-QPJJXVBHSA-N 390.314 4.856 0 50 GJAA CN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 71770044 JDMUDLUQKXGYFY-UHFFFAOYSA-N 398.462 4.588 0 50 GJAA O=C(c1cc2ccccc2o1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 176757014 YTUGPGRDWBTNFG-SFHVURJKSA-N 375.346 4.665 0 50 GJAA Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1ccc4ncccc4c1)CC(=O)O2)CCC3 263585089 DYNVEVFTRSXYOO-GOSISDBHSA-N 397.430 4.579 0 50 GJAA biogenic C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 465442482 XYBBAWKAVRHMAE-GFCCVEGCSA-N 396.413 4.697 0 50 GJAA C[C@@H](C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1)N1CCCC1 1506407777 UNJMTUHWPAEOAU-FQEVSTJZSA-N 392.543 4.602 0 50 GJAA CCCN1CCC[C@]2(CCCN2C(=O)c2cccc(-c3cccc(C)c3)c2)C1=O 2356150376 ZAQGRZIGSGHLEI-VWLOTQADSA-N 390.527 4.669 0 50 GJAA O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccc(Cc2ccncc2)cc1 1080716 OMCGUNOHTQHZRH-AREMUKBSSA-N 392.458 4.526 0 50 GJAA CCOc1ccc(NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1 1100348 DVSYAVNICNEEBF-UHFFFAOYSA-N 383.469 4.562 0 50 GJAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 1157459 LZVQDHFNZZYGPB-UHFFFAOYSA-N 391.298 4.793 0 50 GJAA C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 2884686 FFDYUZOJRQLQBG-HNNXBMFYSA-N 393.512 4.938 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 4612033 XBAQWDFQVMWKEY-KBRIMQKVSA-N 383.513 4.792 0 50 GJAA Cc1cc(O)nc(SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 4619612 WTFWYQCDFRUVEM-UHFFFAOYSA-N 388.533 4.766 0 50 GJAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4903072 KXPUTNUJNQJNNC-GHMZBOCLSA-N 399.299 4.946 0 50 GJAA Cc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5Cl)c4ncn3n2)cc1 6810144 JGAHKLAWTDRWRZ-UHFFFAOYSA-N 395.253 4.745 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCc4ccccc4)c3C)C2)cc1 6819392 QFZPAMYAKZZCOC-SFHVURJKSA-N 389.451 4.601 0 50 GJAA O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1Cl 8914837 ZRYHHBOVYKUFTR-UHFFFAOYSA-N 382.828 4.822 0 50 GJAA COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nccs2)c1 11814007 BOXNODWNGALZBN-UHFFFAOYSA-N 390.512 4.636 0 50 GJAA CCc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)o1 12049722 KOSHMWUJIDPJNC-UHFFFAOYSA-N 395.528 4.816 0 50 GJAA CN(CCc1ccccc1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 12445909 YMLMWTNRTFMSFV-UHFFFAOYSA-N 379.460 4.517 0 50 GJAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27899182 KLQGGZANWBPMAL-XMMPIXPASA-N 395.462 4.511 0 50 GJAA Cc1cccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc12 63847628 OQYDXYYCHBDQIO-UHFFFAOYSA-N 386.499 4.750 0 50 GJAA CCC(=O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 185835870 ULXNEUIQVLDYMP-MRXNPFEDSA-N 395.425 4.610 0 50 GJAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCc4sccc4[C@H]3C)c2)C1 240744070 HUHYKTAPOIXUSS-MBOZVWFJSA-N 398.572 5.995 0 50 GJAA CC(C)n1nccc1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 263587317 FLOFFLYMBTZREN-SFHVURJKSA-N 384.483 4.941 0 50 GJAA O=C(NC[C@@H]1CC12CCSCC2)c1cc(-c2cccnc2)nc2ccccc12 817460020 LMIYOGMUTBGTTR-KRWDZBQOSA-N 389.524 4.560 0 50 GJAA Clc1ccc2nc([C@H]3CCCN3Cc3cc(-c4ccncc4)no3)[nH]c2c1 1506408072 BFCDVKIMJHEISG-LJQANCHMSA-N 379.851 4.603 0 50 GJAA CC(C)OCc1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875331547 MSNSAGMBBYGUBT-SECBINFHSA-N 375.650 4.551 0 50 GJAA CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1C 822249 BXXRUQQWRIFMAU-UHFFFAOYSA-N 380.878 4.749 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(-c2ccccc2)cc1 1199752 MEAAZOFEQWGSBH-NRFANRHFSA-N 388.419 4.855 0 50 GJAA Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4cccs4)on3)c2C)cc1 2465683 CEKPNGKPJFOOAA-UHFFFAOYSA-N 392.484 4.825 0 50 GJAA COC(=O)c1sccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2734089 XEASKWBZVZTUDE-UHFFFAOYSA-N 388.272 4.639 0 50 GJAA COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2855431 ZRSHGCOBVRUDMF-UHFFFAOYSA-N 389.860 4.942 0 50 GJAA O=C(c1ccc(I)cc1)c1ccc(C(F)(F)F)cc1 3080753 WCIJFUKGUGHDRD-UHFFFAOYSA-N 376.115 4.541 0 50 GJAA O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1 4806603 VTYWTNJGUOQNKW-UHFFFAOYSA-N 376.456 4.876 0 50 GJAA CCOc1cc(CNC2CCCCC2)ccc1OCC(=O)Nc1ccccc1 4838938 SRUTWVCPALVERG-UHFFFAOYSA-N 382.504 4.525 0 50 GJAA Cc1oc(-c2cccc(F)c2)nc1CN1CCC(OCc2ccccc2)CC1 11841317 IQHBSHXJOVVIHZ-UHFFFAOYSA-N 380.463 4.970 0 50 GJAA COc1ccc2cc([C@H](C)NC(=O)c3cn(C4CCCCCC4)nn3)ccc2c1 12373173 MJVCGTNSXXVGSG-INIZCTEOSA-N 392.503 4.826 0 50 GJAA CC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1 12385397 SKAQCDRFNBJJAW-QGZVFWFLSA-N 396.874 4.513 0 50 GJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Nc2ccccc2C)C1 12571430 XSGPVLBCHRIGEQ-NRFANRHFSA-N 379.548 4.722 0 50 GJAA O=C(CC1CCCC1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 14947968 KLVHXAVRTZGSAQ-IBGZPJMESA-N 390.518 4.606 0 50 GJAA c1ccc(-n2cc(CNCc3ccsc3)c(-c3ccc4c(c3)OCO4)n2)cc1 15069196 LIYNHAMVWOIQCM-UHFFFAOYSA-N 389.480 4.619 0 50 GJAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2nc(C(C)C)cs2)CC1 23129021 VOCSLJMWEXIMHO-UHFFFAOYSA-N 386.561 4.655 0 50 GJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cc1 36620743 OKUYMKNQBIRTIJ-KRWDZBQOSA-N 375.266 4.827 0 50 GJAA Cc1cccc(C(=O)Nc2cc(NC(=O)c3cccc4nccnc34)ccc2C)c1 65460318 TZJYYMJNQPGSNY-UHFFFAOYSA-N 396.450 4.751 0 50 GJAA C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Sc2ccccc2Cl)nn1 155571823 ZMNRHCKEECTOQF-CYBMUJFWSA-N 399.903 4.820 0 50 GJAA CCC[C@@H]1C[C@@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 211466862 SGUBTRIUYMZCPM-DYVFJYSZSA-N 378.394 4.945 0 50 GJAA CCCN(CCC1=CCCCC1)C(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 426530352 CKUQAANSHCVJQC-UHFFFAOYSA-N 380.488 4.788 0 50 GJAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)c1 952985545 CGYXYFXAALDAJP-CQSZACIVSA-N 388.895 4.605 0 50 GJAA CO[C@@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1312093659 RPRCSDKAWJAGGN-ROUUACIJSA-N 379.287 4.838 0 50 GJAA CCOC(=O)c1csc(N(C(=O)c2ccccc2)c2ccc(Cl)cc2)n1 1875361111 PVHUGPLBSAQWHO-UHFFFAOYSA-N 386.860 4.952 0 50 GJAA Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4F)cc3n2)cc1 678746 LAMPBYMSAQNOIN-UHFFFAOYSA-N 380.810 4.774 0 50 GJAA Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCCC2)c1=S 716355 RAPOYVOFMUKUDR-UHFFFAOYSA-N 386.565 4.631 0 50 GJAA O=C(c1cccc2ccccc12)N1CCN(C(=O)c2cccc3ccccc23)CC1 782976 NPTCQXMKLFSWEB-UHFFFAOYSA-N 394.474 4.591 0 50 GJAA Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 1063386 XMRMBLLRVOEHCU-JKSUJKDBSA-N 390.821 4.988 0 50 GJAA COc1ccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 1778220 QUGJQQJPCZHVMR-UHFFFAOYSA-N 375.468 4.760 0 50 GJAA Cc1cc(C)cc(C[C@@H](CC(=O)O)C(=O)Nc2ccccc2C(F)(F)F)c1 4755717 DQSHIIYYJQHIQM-HNNXBMFYSA-N 379.378 4.594 0 50 GJAA Cc1cc(C(=O)NCc2ccc(Cl)cc2)c2c(C)nn(-c3ccccc3)c2n1 8586031 WKCRQSUDUAISJB-UHFFFAOYSA-N 390.874 4.621 0 50 GJAA O=C(Cc1ccccc1)N1CCC[C@H](c2ncncc2-c2ccccc2Cl)C1 11787593 UPXUDHQLVWWDHR-SFHVURJKSA-N 391.902 4.746 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 11879741 JGBNNUIXGYXZRD-OAQYLSRUSA-N 383.532 4.538 0 50 GJAA FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3c3cccnc3)n2)cc1 12318358 DORGQDIEGDLBPU-KRWDZBQOSA-N 388.393 4.878 0 50 GJAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccoc2C)CC1 12713681 DMBDFAXUQOPZRV-UHFFFAOYSA-N 398.547 4.607 0 50 GJAA CCCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC 13928079 OXVVZOGOAXKKLQ-YBEGLDIGSA-N 389.810 4.621 0 50 GJAA CN(C(=O)c1cccc(-c2ccco2)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 14980379 QBLYGKPFOHSMDZ-OAQYLSRUSA-N 392.474 4.822 0 50 GJAA Cc1noc(-c2ccccc2)c1CN1CCc2[nH]nc(Cc3ccccc3)c2C1 19853162 DSZADXKHGWPBLA-UHFFFAOYSA-N 384.483 4.522 0 50 GJAA COC[C@H](C)Oc1ccc(CN(C(=O)c2ccccc2OC)C2CCCC2)cc1 20775207 ODNHOMAQVHZPHQ-SFHVURJKSA-N 397.515 4.694 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 71758263 XWJTYEGVQBFZHI-JDIHKZIFSA-N 390.564 4.542 0 50 GJAA biogenic O=C(O)C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 100233346 OAZYEKKFVGYBHJ-WKILWMFISA-N 379.456 4.559 0 50 GJAA O=C(N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1)N1CCC2(CCC2)C1 119368229 VQUUIUWOXBDPCO-SFHVURJKSA-N 389.421 4.775 0 50 GJAA CC(C)c1cnc(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)n1C(C)C 128985972 QTWPCNOGRPRSJM-UHFFFAOYSA-N 382.489 4.862 0 50 GJAA Cc1cc([C@H]2CCCCN2C(=O)Nc2ccc(OCc3ccco3)cc2)no1 299756082 CNBBPXJJLZHPDX-HXUWFJFHSA-N 381.432 4.914 0 50 GJAA Fc1cccc(F)c1-c1nc(CN2CCC[C@@H]2c2cccc3c2OCCO3)co1 443623389 CRJIKVLPRGOSSR-GOSISDBHSA-N 398.409 4.728 0 50 GJAA O=C(C1CC2(CCC2)C1)N1CCC2(CC1)CCN(c1nc3ccccc3o1)CC2 1875334407 MWCQNDCUQMZCAJ-UHFFFAOYSA-N 393.531 4.617 0 50 GJAA O=C(Nc1cccc(I)c1)c1cc(Cl)ccc1Cl 1008355 XILHAPALKYXQQS-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(C(=O)Nc2ccco2)c1 1111945 DCIDBEUHALKCFH-CQSZACIVSA-N 398.846 4.900 0 50 GJAA CCO[C@H]1Cc2ccccc2N(C(=O)NCCN(CC)CC)c2ccccc21 2267766 UARJGJXQCKHIMA-QFIPXVFZSA-N 381.520 4.510 0 50 GJAA CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 2844545 IXHWFSDEJGCZJZ-UHFFFAOYSA-N 394.298 4.764 0 50 GJAA CCCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 2844749 PQCGAXMAQDFVFS-ATVHPVEESA-N 386.245 4.582 0 50 GJAA COc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1 2884613 WBCNEAMBFKLKBL-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA COc1ccc(OCCOCCOc2c(C)cc(Br)cc2C)cc1 2983690 DULFBKWWKKIBPJ-UHFFFAOYSA-N 395.293 4.549 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 4551557 PKUHOXJENXEMMM-XUZZJYLKSA-N 386.451 4.946 0 50 GJAA COc1cccc(NC(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)c1 12206525 LNECIFICZFJMBN-UHFFFAOYSA-N 384.520 4.543 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3nc2C)C1 67818597 JQASEMDXUSCKIS-QGZVFWFLSA-N 391.540 4.755 0 50 GJAA CCc1nc(CN2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cs1 216477780 USUAAQSQDRWVSH-HXUWFJFHSA-N 375.557 4.577 0 50 GJAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@H]1CCC2=O 254479315 DDDJCSCTQYHRFY-XVSWOPEYSA-N 384.438 4.992 0 50 GJAA CC[C@H](C)Oc1ccc(-c2noc([C@@H]3CCC(=O)N(c4ccccc4)C3)n2)cc1 2332239323 HIIGJLUWOTUBLQ-FUHWJXTLSA-N 391.471 4.825 0 50 GJAA O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Cl)cc1 888484 DGKNENGDESZJRN-UHFFFAOYSA-N 389.933 4.954 0 50 GJAA O=C(Nc1ccc(Cl)cc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 1070687 YECAPNMUMGYCOV-UHFFFAOYSA-N 380.757 4.531 0 50 GJAA Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1 1144177 AIEWVFVRSMCKDO-UHFFFAOYSA-N 394.521 4.924 0 50 GJAA aggregator O=C(Oc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 1177239 XAKFOTDZXSKNIZ-UHFFFAOYSA-N 395.798 4.540 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 1202814 BFTRBNCCAOJEIX-UHFFFAOYSA-N 384.284 4.973 0 50 GJAA CCn1c(SCc2cccc(OC)c2)nc2sc3c(c2c1=O)CCCC3 2370695 GSXVSIZFOMXJFQ-UHFFFAOYSA-N 386.542 4.658 0 50 GJAA Cc1ccc(S(=O)(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2995671 PRZBGHNHEJNYNM-UHFFFAOYSA-N 392.432 4.536 0 50 GJAA COc1cccc2cc(-c3nnc(Nc4cccc(Cl)c4)s3)c(=O)oc12 4673365 VMBIIRXIQLEGKR-UHFFFAOYSA-N 385.832 4.717 0 50 GJAA CCn1c(SCCOc2ccccc2C)nnc1-c1c[nH]c2ccccc12 4827473 GLGDNDZYUKPAAN-UHFFFAOYSA-N 378.501 4.926 0 50 GJAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)C1CCC1)C2 11786222 BBTWZPJQSJRKBE-NRFANRHFSA-N 386.495 4.738 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1 12582775 TUDYIQJJMHDTNA-NRFANRHFSA-N 394.515 4.728 0 50 GJAA c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](c3ccn[nH]3)C2)cc1 20455151 OPAXHCFSELFXJI-FQEVSTJZSA-N 383.499 4.642 0 50 GJAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)Nc1cccc2ccccc12 20606814 XCZOUTWEIYWKMJ-ZDUSSCGKSA-N 390.409 4.821 0 50 GJAA CCCn1ccnc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67675991 DMYLSEUWPQJSPL-UHFFFAOYSA-N 397.906 4.714 0 50 GJAA CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccsc1Cl 187891939 YOFLMGKNNYLWHE-UHFFFAOYSA-N 375.881 4.874 0 50 GJAA Fc1ccc([C@@H]2CN(Cc3cccc(OCc4ccccn4)c3)CCO2)c(F)c1 190132613 OKNZFFFUFHZGBV-QHCPKHFHSA-N 396.437 4.512 0 50 GJAA FC(F)Oc1c(Br)cc(Br)cc1OC(F)(F)F 263624240 OOFTYIQRWGEZJG-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA COC(=O)c1cc(C)cc(NC(=O)N2CCC3(CCc4ccccc4C3)CC2)c1 1311248218 XYLFVVXGBSAWPL-UHFFFAOYSA-N 392.499 4.585 0 50 GJAA Cc1ccc(NCc2cccc(-c3ccncc3)c2)cc1N1CC[C@@H](N(C)C)C1 1875260641 JGAYTSMIMVXBDT-XMMPIXPASA-N 386.543 4.809 0 50 GJAA Cc1cc(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)ccc1Cl 1875345553 BIOGPBPQTKJEDI-UHFFFAOYSA-N 396.899 4.826 0 50 GJAA Cc1sc(Br)nc1CN1CCc2ccccc2[C@@H]1C(F)(F)F 2325828100 YQGVCAPCQMMQHA-CYBMUJFWSA-N 391.256 4.876 0 50 GJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 1164335 FDLRXZGNCNNDRF-QHCPKHFHSA-N 398.414 4.882 0 50 GJAA O=C(c1sc2cccc(F)c2c1Cl)N1CCN(c2ccc(F)cc2)CC1 6615105 FXMSXROUDMHJRW-UHFFFAOYSA-N 392.858 4.795 0 50 GJAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccccc2F)C1 12385184 TYQAGAXIOSJSTH-HSZRJFAPSA-N 398.478 4.554 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(Cc4ccon4)C3)c2)c1 23542352 SKWVGHNYHYLSOO-HXUWFJFHSA-N 375.472 4.501 0 50 GJAA C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1 34237012 JWXYMBDCGNXXRO-UHFFFAOYSA-N 398.455 4.583 0 50 GJAA CN(Cc1nccs1)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 95530914 YKQILOXRJNTPHE-UHFFFAOYSA-N 397.510 4.548 0 50 GJAA COc1ccc(-c2cc(O)n3nc(-c4ccc(Br)cc4)cc3n2)cc1 100651263 HZABWNJRDXHKAW-UHFFFAOYSA-N 396.244 4.540 0 50 GJAA CC(C)(C)OC(=O)N1CCc2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1 105641512 ATTWLQWVXBHJSY-UHFFFAOYSA-N 391.471 4.538 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)nc1)C1(Cc2ccccc2Cl)CC1 438958975 MZXLAGHQBPVJFT-UHFFFAOYSA-N 379.847 4.884 0 50 GJAA CCCCC(=O)Nc1ccc(NC(=O)CSc2ccncc2)cc1Cl 822815997 VACSPMWTNJIBMT-UHFFFAOYSA-N 377.897 4.595 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@H](c4ccccn4)C(C)C)CC3)oc12 952846181 PKPXSSSTLSLFFN-FQEVSTJZSA-N 377.488 4.677 0 50 GJAA O=C(O)c1ccc(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1857783434 OLBLRNCEIHRUDH-UHFFFAOYSA-N 399.446 4.733 0 50 GJAA C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-n2ccnc2)cc1 2325706442 SKXXBCFUFPBNEO-HNNXBMFYSA-N 380.879 4.575 0 50 GJAA O=C1C[C@H](c2cc3c(cc2Br)OCO3)c2ccc3ccccc3c2N1 799514 BNNFCYGTCYYAJC-AWEZNQCLSA-N 396.240 4.805 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)cc1C 995062 LJBVKHOUFAQZLQ-UHFFFAOYSA-N 395.462 4.870 0 50 GJAA CC(C)(C)c1ccc([C@@]23OC(=O)C4(CCCC4)[C@H]2OC(=O)C32CCCC2)cc1 1080884 IKFFIXROKMWUGO-HOYKHHGWSA-N 382.500 4.782 0 50 GJAA biogenic COc1c(C)cccc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 6668476 ZTMMJKDVBZNAPL-UHFFFAOYSA-N 377.396 4.777 0 50 GJAA O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1ccc(C(F)(F)F)cc1 11880717 HAESREXGKIHRHP-GOSISDBHSA-N 394.412 4.515 0 50 GJAA O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccco1 12210790 XQJGQEWMBQCBAG-CQSZACIVSA-N 387.357 4.699 0 50 GJAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)CCCc2cccs2)C3)nc1 12243996 RTGVIYVBUOQHHJ-GOSISDBHSA-N 392.524 4.561 0 50 GJAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc3ncccc23)CC1 12430022 VSRPXKSYKQQKGU-UHFFFAOYSA-N 388.511 4.623 0 50 GJAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCc2[nH]c3ccccc3c2C1 12446507 DLGBDFVAAUGHOZ-UHFFFAOYSA-N 398.491 4.743 0 50 GJAA Cc1cc(C)cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)c1 12448166 OFHXQOMYLAHGFI-XMMPIXPASA-N 381.479 4.968 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)c1 12469036 SFDFXQLKKMXTTI-ZGKFYVQTSA-N 383.513 4.670 0 50 GJAA O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1 16606434 YSIJLAWZUKZKON-UHFFFAOYSA-N 384.523 4.804 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)on2)cc1 21790777 OQPCAVGLEDZOPW-LJQANCHMSA-N 382.847 4.981 0 50 GJAA O=Cc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 35635849 HSHAONIIJLIMFN-UHFFFAOYSA-N 392.449 4.689 0 50 GJAA in-vitro Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67643583 OIRJZVGXEZSWGN-HSZRJFAPSA-N 384.483 4.698 0 50 GJAA Cc1c(NC(=O)N(Cc2ccccc2)C2CCCC2)cccc1C(=O)N(C)C 97217611 BWCTUJPKDDMILK-UHFFFAOYSA-N 379.504 4.674 0 50 GJAA COCCOc1ccc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c(C)c1 157025513 VIGVDOJZFKSCIF-UHFFFAOYSA-N 376.456 4.643 0 50 GJAA COc1nc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc2ccccc12 170595930 MXVGKXRPEPQNCR-UHFFFAOYSA-N 390.483 4.544 0 50 GJAA CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@H]12 230026033 ZHLGTXFDXWAOFS-RBBKRZOGSA-N 379.891 4.664 0 50 GJAA CC[C@@H](C)N(Cc1ccc(C)s1)C(=O)c1cccc(-c2cc(O)ncn2)c1 299793886 IODNVGVLVQMIFY-CQSZACIVSA-N 381.501 4.660 0 50 GJAA CCn1ccnc1Cc1nc(O)c2c(-c3cccc(Cl)c3)c(C)sc2n1 2325736520 NENOITDDAKRZQU-UHFFFAOYSA-N 384.892 4.833 0 50 GJAA CO[C@@](C)(c1ccc(NC(=O)c2cn3cccc(Cl)c3n2)cc1)C(F)(F)F 2325861967 DQRYTPYVYZCKRL-KRWDZBQOSA-N 397.784 4.664 0 50 GJAA Cc1ccc(-n2c(=O)c3c(n4cnnc24)-c2ccccc2CC32CCCCC2)cc1 856852 RQLKDNFFGWUCTH-UHFFFAOYSA-N 396.494 4.614 0 50 GJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1Br 1078129 TWJAEXMWTPNJOZ-UHFFFAOYSA-N 398.322 4.690 0 50 GJAA O=C(NCCSCc1ccccc1Cl)c1ccc(Br)cc1 2170375 COQPCDSKCJHCSY-UHFFFAOYSA-N 384.726 4.766 0 50 GJAA CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)O 4241518 MAYULIBGOWTDOJ-XLIONFOSSA-N 381.472 4.606 0 50 GJAA COc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 4909893 CHFIKYPSNGATOY-UHFFFAOYSA-N 389.480 4.979 0 50 GJAA aggregator O=c1c(Oc2ccc(F)cc2)c(C(F)(F)F)oc2c3c(ccc12)OCCO3 6221812 IGMHIEJMRRWQHX-UHFFFAOYSA-N 382.265 4.514 0 50 GJAA CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 14009114 JFQQDFZICDFKJE-WJDWOHSUSA-N 389.860 4.988 0 50 GJAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 14256730 ZYJUHLKYNIOCGU-HNNXBMFYSA-N 375.490 4.566 0 50 GJAA Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2nccs2)CC3)cc1 19835551 IXRCWRCRIAJYOI-UHFFFAOYSA-N 391.540 4.581 0 50 GJAA C[C@H](CNC(=O)Nc1cccc2ccccc12)Cn1ccc(C(F)(F)F)n1 20606801 QEBMVFLCTIGDLF-CYBMUJFWSA-N 376.382 4.513 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccc(C)c(C)c3n2)cn1 63832768 RWQKNBQNITZAKX-INIZCTEOSA-N 376.504 4.750 0 50 GJAA O=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC(CCc2ccccc2)CC1 71748484 BXCITALWDMRBGN-UHFFFAOYSA-N 386.495 4.939 0 50 GJAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)c1 72129765 ZWCTWUXEHNGUKV-HNNXBMFYSA-N 379.426 4.811 0 50 GJAA COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccc(F)c2Cl)[nH]n1 225429245 BSQKXKFVMQZBKY-UHFFFAOYSA-N 380.206 4.784 0 50 GJAA Cc1c(C(C)C)c(=O)c2ccccc2n1CC(=O)N[C@H](C)c1ccc(Cl)cc1 225825025 WOQKLMGAJQEQDQ-OAHLLOKOSA-N 396.918 4.964 0 50 GJAA Cc1nc2ccccn2c1-c1nnc2sc(-c3oc4ccccc4c3C)nn12 227143778 STYZRCYNEHMATM-UHFFFAOYSA-N 386.440 4.531 0 50 GJAA CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 239309541 HRDZBROZDQSHGP-DZFGPLHGSA-N 389.536 4.694 0 50 GJAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]12 239434025 YXDAVHZJKJSZKJ-HVETUWLQSA-N 389.495 5.478 0 50 GJAA CCn1ccnc1[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 797438904 NLQVOLYEWQOJIF-FQEVSTJZSA-N 384.487 4.640 0 50 GJAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N(C)C[C@H]1CCCO1 823633936 FMONAYSOQJVFFD-LJQANCHMSA-N 379.456 4.571 0 50 GJAA Cn1cnnc1-c1ccccc1C(=O)OC[C@H]1CC[C@H](c2ccccc2)CC1 1875335900 KULGVEXXMRLXJM-UAPYVXQJSA-N 375.472 4.613 0 50 GJAA CCN(CC)Cc1cc(C(=O)Nc2c(C)cc(O)nc2C)c(-c2ccccc2)o1 2100483550 CZRNHCPUFPUQGD-UHFFFAOYSA-N 393.487 4.758 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 809589 CFYZVXFSEOWJCS-UHFFFAOYSA-N 394.814 4.573 0 50 GJAA COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2scc(-c3ccccc3)c2c1=O 854997 IEXLJSIZAANYJO-UHFFFAOYSA-N 399.475 4.838 0 50 GJAA O=C(NCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1cccc2ccccc12 1127458 MOMIBUNJYDVIJS-XQNSMLJCSA-N 396.446 4.520 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(OCc2ccccc2)cc1 1204421 NUDSBKJJQRABDE-JOCHJYFZSA-N 391.423 4.564 0 50 GJAA Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccccc2F)s1 1300231 DVOVTZRUGJVWLY-UHFFFAOYSA-N 392.843 4.862 0 50 GJAA Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1c(F)cccc1F 2796494 GAKUVJUPQSMQIZ-UHFFFAOYSA-N 375.806 4.732 0 50 GJAA Cc1cc(Cl)c(OCCOCCN2CCC[C@@H](C)C2)c(Br)c1 2824081 FERNBCFSUGMRRK-CYBMUJFWSA-N 390.749 4.538 0 50 GJAA CCCSc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 2851893 IYBDEZNCVWFPCF-UHFFFAOYSA-N 378.306 4.608 0 50 GJAA CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 2983528 WUEBDIQEXQVSNE-UHFFFAOYSA-N 382.407 4.621 0 50 GJAA CCOC(=O)/C=C/COc1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1 4029737 VHIJDTPBYUWEMZ-DHZHZOJOSA-N 394.423 4.775 0 50 GJAA biogenic CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cn1 6490305 SCGMHRBLPLNYEP-UHFFFAOYSA-N 398.510 4.973 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)c1ccco1 12073092 UTUBNPGTPZKVGI-FQEVSTJZSA-N 390.483 4.714 0 50 GJAA O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 12281930 GHMOAFCCLHTQTL-HSZRJFAPSA-N 397.430 4.569 0 50 GJAA COCCCn1c(S)nnc1-c1cc(-c2cccs2)nc2ccccc12 17078158 JQDBTENYIYKHAE-UHFFFAOYSA-N 382.514 4.547 0 50 GJAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1 20602430 RLTUUJAUKIOZRM-HSZRJFAPSA-N 388.442 4.548 0 50 GJAA COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38834244 KZDMXAORDAQUPK-UHFFFAOYSA-N 393.314 4.853 0 50 GJAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)NC1(c2ccccc2Cl)CC1 96136148 RXWMJKMXFGJVAC-KRWDZBQOSA-N 386.879 4.709 0 50 GJAA O=C1OCCN1c1ccccc1NC(=O)N(Cc1ccsc1)C1CCCC1 96162933 HEMLVIQIPDUIGZ-UHFFFAOYSA-N 385.489 4.681 0 50 GJAA Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)oc2c(Cl)cccc12 155258110 HDGNDFICWFNOPH-OAHLLOKOSA-N 397.906 4.745 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)on1 181150445 VDOOVNVPYFXCIP-KOSHJBKYSA-N 392.499 4.630 0 50 GJAA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 253412797 SBDJBBODLHKLJI-IBGZPJMESA-N 398.414 4.910 0 50 GJAA biogenic Cc1ccccc1-c1nc(CN2CC[C@H](c3sccc3C)[C@@H](O)C2)c(C)o1 1565512117 BDFXHIPOYVIFQX-ICSRJNTNSA-N 382.529 4.679 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(-c2cscn2)n1 1875331429 GYISOXYSRXFKBN-SSDOTTSWSA-N 386.658 4.749 0 50 GJAA COc1cnc(F)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1875343286 WABGGMXZTFHXDH-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)n(Cc2ccncc2)n1 2332237425 LSMPZUXLMSDMAT-UHFFFAOYSA-N 383.883 4.921 0 50 GJAA COc1ccccc1OCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 802343 ZMORGOHEONZHTB-UHFFFAOYSA-N 387.439 4.564 0 50 GJAA O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccccc1 1146141 NFVZADRPJJVBPB-UHFFFAOYSA-N 389.402 4.893 0 50 GJAA Clc1ccc(OCc2nc(-c3ccc(Br)o3)no2)c(Cl)c1 1445772 BXGDCWXSVRNQNZ-UHFFFAOYSA-N 390.020 4.978 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 2920764 LEJNBVCHXBEIKE-DVQDXYAYSA-N 380.473 4.868 0 50 GJAA Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(Cl)cc1 2983356 JKERUTMKGNHKRI-UHFFFAOYSA-N 392.886 4.815 0 50 GJAA CCn1c(-c2cccc(COc3ccccc3Br)c2)n[nH]c1=S 5967888 MNWKCOUCCCAIFD-UHFFFAOYSA-N 390.306 4.969 0 50 GJAA CCN(Cc1cc2ccccc2s1)CC1CCN(C2CCN(C)CC2)CC1 11879321 OGYNIYWTVGNZLM-UHFFFAOYSA-N 385.621 4.529 0 50 GJAA CN(Cc1cccnc1)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 12299086 TXJAYSUMIGJDKV-HXUWFJFHSA-N 380.875 4.621 0 50 GJAA O=C(O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 36208749 WPUNOGRJNPUUQT-UHFFFAOYSA-N 382.463 4.741 0 50 GJAA Cc1ncccc1C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1 172096510 ZMWGJXPRTLMLHB-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239439152 ZMSHIFMKDNYFDC-UOVPBQLFSA-N 384.501 4.619 0 50 GJAA COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c(F)cccc2OC)cc1 888096066 QVGWUVMTLUYDAT-NRFANRHFSA-N 378.403 4.614 0 50 GJAA CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(-c2cnc[nH]2)cc1 1303929074 HNZOOOUDHVGTIL-MRXNPFEDSA-N 399.416 4.902 0 50 GJAA Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C 640411 PORAJPYXAQNKBN-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cncc(Br)c1 896535 ZMCXJPZUQNAKKJ-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(Cl)cc1 1059051 AGZFKWSTSPUUMN-UHFFFAOYSA-N 375.255 4.929 0 50 GJAA O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1 1161803 DYEZDPGQNJAKFP-UHFFFAOYSA-N 384.844 4.949 0 50 GJAA Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2nc3ccccc3s2)C1=O 1202333 YFECCSZCAFMGJW-HNNXBMFYSA-N 388.901 4.682 0 50 GJAA CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 1295811 POQUZZJZYOEGLP-UHFFFAOYSA-N 386.904 4.746 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2131930 DXGFBVVUZAVGQC-GFCCVEGCSA-N 396.270 4.966 0 50 GJAA CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Br)cc1 2358102 GEVDZUJGTLWDTI-OAHLLOKOSA-N 390.306 4.835 0 50 GJAA Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 2561957 YHZZKPLSWJODRH-UHFFFAOYSA-N 399.450 4.529 0 50 GJAA O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccccc1F 6703506 RWQBKBRESYZUGK-UHFFFAOYSA-N 387.414 4.913 0 50 GJAA Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1 8312780 XVOKFRPKSAWELK-UHFFFAOYSA-N 389.333 4.506 0 50 GJAA in-vitro Cc1occc1C(=O)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 11944612 CELSGJWLDGNUFB-IBGZPJMESA-N 386.923 4.616 0 50 GJAA C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1cccs1 12245290 ZLTLHHVZTZCPPD-KRWDZBQOSA-N 394.540 4.733 0 50 GJAA CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)s1 12579006 FYMVZBBAHCYWMB-KRWDZBQOSA-N 391.492 4.839 0 50 GJAA Cc1cccc2oc(Cn3cnc(-c4ccccc4)c3-c3ccc(CO)o3)nc12 65381293 FSPOAOMAMQZNKI-UHFFFAOYSA-N 385.423 4.800 0 50 GJAA C[C@H]1CCCN1c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 67741929 MENFNZMMFQQMIN-IBGZPJMESA-N 377.532 4.555 0 50 GJAA COc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 169685723 BOXBACPWKUTOAG-UGKGYDQZSA-N 391.858 4.986 0 50 GJAA CCc1cccc(NC(=O)c2ccc3c(c2)N(CC)[C@@H]2CCCCCN2C3=O)c1 169765994 PTYVXGQXAJYPMR-QFIPXVFZSA-N 391.515 4.684 0 50 GJAA Cc1nc(CC(C)C)oc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 188667913 JRLSSEGUKBRIKN-OAHLLOKOSA-N 392.883 4.645 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1OC 239432989 XBDHREMDDJXHEO-RDPSFJRHSA-N 386.451 4.946 0 50 GJAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@H]1CCC2=O 254479310 DDDJCSCTQYHRFY-BXXLAGKGSA-N 384.438 4.992 0 50 GJAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c(C)c1 888094374 QDRZADIISJRLHO-XLIONFOSSA-N 383.536 4.732 0 50 GJAA Cc1nc(-c2ccc(C(F)F)cc2)sc1C(=O)N1CCOC[C@@H]1C1CCC1 2325829023 YMGHLFWJRVLORZ-MRXNPFEDSA-N 392.471 4.697 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 1002400 ORUPXWFIFZMHMP-SNVBAGLBSA-N 392.471 4.529 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 1202708 RTQAFUQBQHPAMD-HXUWFJFHSA-N 379.529 4.550 0 50 GJAA CCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12 1805011 DCKFXGCCDGMERR-UHFFFAOYSA-N 398.455 4.740 0 50 GJAA biogenic CCc1cc(Br)ccc1NC(=O)Nc1ccc(OC)c(OC)c1 2851681 MMYMALIOZWIIKS-UHFFFAOYSA-N 379.254 4.673 0 50 GJAA O=C(c1cscn1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 11814835 GACGVACNHJJZIH-FQEVSTJZSA-N 377.444 4.551 0 50 GJAA Clc1ccc(CN2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 54360503 NIEJQXUOGMJJIF-UHFFFAOYSA-N 398.963 4.546 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)n1 64801237 UHDIOQLVQLPNOT-UHFFFAOYSA-N 380.427 4.744 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cc(Cl)c1O 65529962 QFLFTNWZNNXIJW-INIZCTEOSA-N 384.863 4.764 0 50 GJAA C[C@H](c1ccncn1)n1cnc(-c2ccccc2)c1-c1cccn1-c1nccs1 67642509 OQDMVVHKHOGXJB-MRXNPFEDSA-N 398.495 4.864 0 50 GJAA CCc1ocnc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71759829 WPGBXTBLTHTTQR-CQSZACIVSA-N 380.410 4.741 0 50 GJAA Cc1cccc(-c2nc3cc4c(cc3cc2CN(C)Cc2ccno2)OCO4)c1 72454432 CFEVCQINYMWLTJ-UHFFFAOYSA-N 387.439 4.559 0 50 GJAA O=C(NCc1cccc(CN2CCCC2)c1)[C@H](c1ccccc1)C1CCCC1 223598117 YJFCKYYGQRCDPI-XMMPIXPASA-N 376.544 4.873 0 50 GJAA O=C(c1cccs1)N1CCC(NCC[C@@H](c2ccccc2)c2ccco2)CC1 828187288 HHWSPMMUMWQKDZ-FQEVSTJZSA-N 394.540 4.758 0 50 GJAA Cc1ccc(C)c(OCCC(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)c1 1440029733 UOGTXIMQAHIXDS-UHFFFAOYSA-N 386.455 4.649 0 50 GJAA CO[C@@H](C)CCc1nc(-c2ccc(N(C)C)nc2)nn1C1CCC(C)(C)CC1 1875349045 KZOZBLMEWOQZGT-INIZCTEOSA-N 385.556 4.515 0 50 GJAA CC(C)c1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)s1 955048 MORKNXSVCZVVOJ-JLHYYAGUSA-N 379.485 4.892 0 50 GJAA CCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 1000946 IIBFJPCFWRRWBA-UHFFFAOYSA-N 390.270 4.889 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 1096028 GSVRZKREVYGGLI-UHFFFAOYSA-N 394.496 4.711 0 50 GJAA aggregator O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)Nc1ccccc1 1108372 UJWLDCZXYUKGIG-UHFFFAOYSA-N 375.497 4.753 0 50 GJAA COc1ccc(CCNc2nc(C(F)(F)F)nc3c(C)cc(C)cc23)cc1 1114901 ZNUKFABPRFFWLA-UHFFFAOYSA-N 375.394 4.929 0 50 GJAA CCCCOc1ccc(NC(=O)COc2ccccc2Br)cc1 1768736 VRPNVZIZZZGKEB-UHFFFAOYSA-N 378.266 4.646 0 50 GJAA COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2582965 KSFFCSQFNZYKTE-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA COC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCCC2 5879484 NVKDHAQRNVELPG-UHFFFAOYSA-N 395.883 4.777 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1 11666647 OUQXSYCHIBGTLW-XMMPIXPASA-N 392.591 4.746 0 50 GJAA O=C(/C=C/c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20149350 NAHRDNCUKYEBBI-BUHFOSPRSA-N 388.536 4.695 0 50 GJAA CCCc1nc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cs1 67908043 YGUPXQFGDYCZJH-INIZCTEOSA-N 380.517 4.506 0 50 GJAA CC(C)(C)OC(=O)N1C[C@@H]2C(N(Cc3ccccc3)Cc3ccccc3)[C@H]2C1 117188379 XAJYRABZEDHMCO-SFTDATJTSA-N 378.516 4.554 0 50 GJAA O=C(O)c1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 162420349 LLDDMZGYILWGLP-UHFFFAOYSA-N 385.419 4.650 0 50 GJAA Cc1c(C(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)oc2c1ccc1ccccc12 170601779 INPHUEBCPJXGNS-HXUWFJFHSA-N 396.450 4.726 0 50 GJAA O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(-c2cccc(Cl)c2)on1 170623569 DMBBTXPDRLXFTL-FQEVSTJZSA-N 392.842 4.612 0 50 GJAA CCc1cnc(CNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 225391005 CZDRWFKXKJAPQE-UHFFFAOYSA-N 386.536 4.787 0 50 GJAA Fc1cccc(Cl)c1COc1ccccc1CN1CC(N2CCCCC2)C1 826621857 UGPFAGCGIQWHDU-UHFFFAOYSA-N 388.914 4.728 0 50 GJAA COc1ccc(NC(=O)c2cccc(NCc3cnc4ccc(C)cc4c3)c2)cn1 1348370253 JQMHAYDNZKMIBW-UHFFFAOYSA-N 398.466 4.811 0 50 GJAA O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc2cc(F)ccc2[nH]c1=O 1875341332 PAXFVHKHIMUSDU-KSSFIOAISA-N 398.865 4.777 0 50 GJAA O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccs1 1114732 LOPSNTCNTSXKAX-UHFFFAOYSA-N 375.453 4.836 0 50 GJAA Fc1ccc(C2=Nn3c(nnc3C(F)F)S/C2=C\c2cccs2)c(F)c1 2766793 BEKIKXYEVFRMTQ-GHXNOFRVSA-N 396.394 4.955 0 50 GJAA Cc1cccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c1 12438228 FGKFTGNGWBIQJI-UHFFFAOYSA-N 393.531 4.519 0 50 GJAA CCC(CC)CN1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(OC)c(Cl)c1 14995443 ASGNHKXBJZVHJN-QGZVFWFLSA-N 378.944 4.825 0 50 GJAA Cn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(Cl)c2)cn1 20515766 OWWKQXZJYTZLLN-QFIPXVFZSA-N 376.891 4.703 0 50 GJAA Clc1cccc(N2CCN([C@@H]3CCCN(CCCc4ccccc4)C3)CC2)c1 20907918 ANPZQPDFQSWOBU-XMMPIXPASA-N 397.994 4.559 0 50 GJAA Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 100399674 GREVXJWOURTWRD-OBRGUKLBSA-N 388.511 4.771 0 50 GJAA Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C 193431960 ZYIFZWOTVGBRHS-UHFFFAOYSA-N 376.485 4.891 0 50 GJAA Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2)n1 252488412 IRKDYHDVNFBDTF-OAHLLOKOSA-N 394.397 4.772 0 50 GJAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 252671995 OVLSDGAQRDYFTL-PGRDOPGGSA-N 392.572 4.548 0 50 GJAA Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 263616198 HOMFTYUZARTLTL-OAQYLSRUSA-N 386.455 4.797 0 50 GJAA c1ccc(-c2cnc(CNc3nc(-c4ccccn4)nc4sccc34)[nH]2)cc1 2325854019 LAJXZAKCROTEJX-UHFFFAOYSA-N 384.468 4.756 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1F 672831 PVHURKGHNCSXQM-UHFFFAOYSA-N 375.197 4.804 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1OC 687142 AMNMCRAYVVYJRN-UHFFFAOYSA-N 390.483 4.791 0 50 GJAA O=C(c1ccc(F)cc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 1117494 LWESCGQVOZOSOY-UHFFFAOYSA-N 396.809 4.631 0 50 GJAA COc1ccccc1/C=C1\CCCC2=C1NC(=S)N[C@@H]2c1ccccc1OC 1128509 UOVYQKRGIODRFA-KJLVKZSNSA-N 392.524 4.744 0 50 GJAA CCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2386118 UUXKLESQZZGPLH-NRFANRHFSA-N 381.472 4.949 0 50 GJAA Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1 2818819 IPMXQTPURTZIHA-PXLXIMEGSA-N 397.430 4.867 0 50 GJAA O=C(NCc1ccco1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 2861727 YVYXWJFDTDIFAL-UHFFFAOYSA-N 385.379 4.673 0 50 GJAA CC1(C)C[C@H](CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)CCO1 11772484 JWJZCOIOLQUPRP-GOSISDBHSA-N 392.971 4.976 0 50 GJAA Cc1nc2sccn2c1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 12433508 TVULBWFUCXRMIZ-SFHVURJKSA-N 382.533 4.544 0 50 GJAA S=C(Nc1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 55051885 IEUCTEODZBJMPN-JXMROGBWSA-N 387.552 4.868 0 50 GJAA Cc1ccc(-n2cc(CN[C@@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 55089299 HMDDVVXZXPABFL-KRWDZBQOSA-N 387.462 4.628 0 50 GJAA O=C(O)C1(C[C@H]2CCCCO2)CCN(c2ccc3cccc(Cl)c3n2)CC1 71763196 VCHJKPQWUDDZTK-MRXNPFEDSA-N 388.895 4.519 0 50 GJAA COc1ccc(COCc2cccc(NC(=O)/C=C/c3cncc(C)c3)c2)cc1 122815420 YJMUKNKKJCRZMW-DHZHZOJOSA-N 388.467 4.767 0 50 GJAA COc1ccc2c(c1)c(C(=O)NCc1c(C)noc1C)c(C)n2C1CCCC1 161732430 MOCXKRCFQRSBJE-UHFFFAOYSA-N 381.476 4.608 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CO[C@@H]2CCCc3c[nH]nc32)on1 190143400 XBUPAFMZOFBSOH-HXUWFJFHSA-N 375.428 4.821 0 50 GJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 242164644 WWRSSAHTFPZHKW-UHFFFAOYSA-N 389.402 4.832 0 50 GJAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2cccc(Cl)c2n1 426727433 KCHPKICEPLNWCN-UHFFFAOYSA-N 376.847 4.551 0 50 GJAA CC(C)(C)Oc1c(F)cc(NC(=O)NCC(C)(C)c2ccccn2)cc1F 1310473276 ZAUNXIUNNOKYJP-UHFFFAOYSA-N 377.435 4.636 0 50 GJAA CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@@H](c1ccccc1)C2 651745 IABKKIPCLOSGQV-MRXNPFEDSA-N 383.513 4.936 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2ccccc12 657125 BBRFABBRQCBOFX-UHFFFAOYSA-N 389.860 4.992 0 50 GJAA O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2ccccc2oc1=O 2600977 VHNXZEXNNAQYOU-UHFFFAOYSA-N 388.404 4.915 0 50 GJAA CC[C@@]1(C)Cc2ccccc2-c2nc(SC)n(Cc3ccccc3)c(=O)c21 4694740 IWPGJNPUOSYCGZ-QHCPKHFHSA-N 376.525 4.904 0 50 GJAA c1ccc(CCN(Cc2ccccc2)C2CCN(Cc3ccncc3)CC2)cc1 4712155 WVVHMMRVTJUBCJ-UHFFFAOYSA-N 385.555 4.791 0 50 GJAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 5094683 PWIGSLKLZDUOPX-SJORKVTESA-N 380.469 4.793 0 50 GJAA O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)C12CC3CC(CC(C3)C1)C2 6219879 KYKHWKIGRITVOM-UHFFFAOYSA-N 387.886 4.879 0 50 GJAA C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc2c(c1)OCO2 6824256 FJOYCHBRBSKQSY-SECBINFHSA-N 377.824 4.914 0 50 GJAA C[C@@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23283190 QJGIXBOFVQTVOA-INIZCTEOSA-N 378.438 4.554 0 50 GJAA O=C(O)c1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)c(Cl)c1 25781603 RZTYWYXRZJDRKG-UHFFFAOYSA-N 395.615 4.793 0 50 GJAA O=C1[C@@H]([C@@H]2NCCc3c2[nH]c2ccccc32)c2ccccc2N1c1ccccc1 96028136 FHGRMQONXLFYLC-VWNXMTODSA-N 379.463 4.817 0 50 GJAA O=C(Cc1ccc(Br)c(Cl)c1)Nc1cccc(-c2cn[nH]c2)c1 787172569 XILOYQJRECLRDV-UHFFFAOYSA-N 390.668 4.674 0 50 GJAA O=S(=O)(NC[C@H]1C[C@H]1c1cccs1)c1cc(Cl)c(Cl)cc1Cl 1857799329 WTZXEECPWKTGNO-RKDXNWHRSA-N 396.748 4.790 0 50 GJAA CCO[C@H](C)c1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875331588 ONDMITWMPUZNDY-DTWKUNHWSA-N 375.650 4.723 0 50 GJAA COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c2ncccc2c1 831584 OMFWTEWSGOHCET-UHFFFAOYSA-N 377.227 4.568 0 50 GJAA O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC1CCCCC1 956601 FPKGRXCKRFOYBO-UHFFFAOYSA-N 383.542 4.899 0 50 GJAA NC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 2736959 NYCUSZWQQJWVFX-UHFFFAOYSA-N 383.300 4.675 0 50 GJAA Cc1sc2ncn3nc(Cn4c5c(c6ccccc64)CCCC5)nc3c2c1C 2808568 UURVCXZPSXZAKF-UHFFFAOYSA-N 387.512 4.838 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccc2)cc1 4709664 MVSDNLADWNMCMJ-AWEZNQCLSA-N 389.282 4.868 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 11667738 PNTUVUDBMZMCJM-OAQYLSRUSA-N 389.474 4.738 0 50 GJAA Cc1ccc(CN2CC[C@@H](N(C)Cc3nc4ccccc4s3)CCC2=O)cc1 11814878 RQUTVWUKDLRCEU-IBGZPJMESA-N 393.556 4.618 0 50 GJAA FC(F)(F)CCCN(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 11874020 AOEMAQNZBHUWSI-UHFFFAOYSA-N 383.502 4.881 0 50 GJAA O=C(NCCc1nc2ccccc2[nH]1)c1ccc2nc(C3CCCCC3)oc2c1 12433520 UEPFUGHIZGZLJK-UHFFFAOYSA-N 388.471 4.724 0 50 GJAA O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1O 16183916 DOACPULUEQQBJN-WNXIRNOKSA-N 395.458 4.635 0 50 GJAA OCC1(Cc2ccccc2C(F)(F)F)CCN(C/C=C/c2ccco2)CC1 20855301 XLSLZJMQUQJKNU-ZZXKWVIFSA-N 379.422 4.629 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)on1 33269760 GJYDRYNRDTUYEB-CQSZACIVSA-N 389.814 4.716 0 50 GJAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c2ccccc2n1 95518898 HQYGNSWMCRMVFJ-IBGZPJMESA-N 383.499 4.567 0 50 GJAA O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 225508356 CQSKGFBKFFRZCN-HXUWFJFHSA-N 384.464 4.683 0 50 GJAA CCc1nc(C)c(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)s1 299758167 OJYDDJYMPCHEFP-UHFFFAOYSA-N 377.941 4.588 0 50 GJAA CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@@H](c2ccccc2)O1 1857739882 XEOHUGUVQDEGOQ-PKTZIBPZSA-N 378.516 4.525 0 50 GJAA CCC(=O)c1c(-c2ccccc2)nc2n(CCN(CC)CC)c3ccccc3n12 759019 IMOAFBVFMDXYAZ-UHFFFAOYSA-N 388.515 4.891 0 50 GJAA Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccc(Br)cc1 1125815 IRXDHWOXKWQYGY-UHFFFAOYSA-N 392.253 4.602 0 50 GJAA CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2 2089581 KHRDUFYTQHZUFG-INIZCTEOSA-N 387.501 4.598 0 50 GJAA COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)C 2751585 OGEFQGQBDUYZOE-UDWIEESQSA-N 387.435 4.980 0 50 GJAA O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(Br)c1 4072140 ZKJGMWXEJGLFDY-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA CN1C(=O)C(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2ccccc21 4852066 VOWNJGPACPXPAP-UHFFFAOYSA-N 377.447 4.960 0 50 GJAA CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 7067107 XDQYOOBAYHZIDV-UHFFFAOYSA-N 382.439 4.730 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1Cc1ccc(F)cc1 11937930 BDWQRTLAWAOLNA-OAQYLSRUSA-N 391.446 4.616 0 50 GJAA COc1ccc2[nH]c(CN3CCC[C@H](C(=O)c4ccccc4OC)C3)c(C)c2c1 12455146 FQTANAVRQFYCGA-KRWDZBQOSA-N 392.499 4.588 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC([C@H](O)CC(C)C)CC1 19595147 IVSVMPCMGVGLKP-HXUWFJFHSA-N 376.928 4.922 0 50 GJAA CN(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 19908910 DCCDWGKQOYJASI-UHFFFAOYSA-N 385.511 4.650 0 50 GJAA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)ccc2c1 20149127 FGGJBOYDIFAKAY-FQEVSTJZSA-N 399.494 4.820 0 50 GJAA FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(C4CCCCC4)C3)CC2)c1 20514426 JLJJWPVFKRCCSM-OAQYLSRUSA-N 395.513 4.625 0 50 GJAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 96137610 UZVQGIXEGXFOET-GOSISDBHSA-N 379.460 4.918 0 50 GJAA C[C@@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[C@H]1OCCc2sccc21 429914892 VTPMILVWGJPRBA-SJKOYZFVSA-N 383.435 4.675 0 50 GJAA O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2ccc(Br)c(F)c2[nH]1 1875319977 AXFNAQLAWCOEOJ-UHFFFAOYSA-N 399.223 4.712 0 50 GJAA CC(C)Sc1ncccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822679 IQZOJQXENFPYDA-UHFFFAOYSA-N 390.936 4.919 0 50 GJAA Cc1ccc(NN2C(=O)c3cccc4cc(Br)cc(c34)C2=O)c(C)c1 686937 NQDGUUBOGXYOIP-UHFFFAOYSA-N 395.256 4.842 0 50 GJAA Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 1124143 BSZSGNOTFBKKDP-UHFFFAOYSA-N 394.544 4.819 0 50 GJAA Clc1ccc(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)cc1 1194512 BKNQRZWBMNFENG-UHFFFAOYSA-N 396.882 4.646 0 50 GJAA COC(=O)c1ccc(COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 1977937 MBKNBWRUJLBSAD-UHFFFAOYSA-N 386.403 4.826 0 50 GJAA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2799615 ZVQPQOYHVXLYDR-CQSZACIVSA-N 377.517 4.942 0 50 GJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 2836462 WTXPHILFRKJIEM-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA CC(=O)c1ccc(N2CCN([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 5091785 CMNJVBYYNICKQV-INIZCTEOSA-N 390.449 4.661 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3ccc(F)cc3)c(C)o2)cc1 12303796 LGKLABDCBKPHBE-NRFANRHFSA-N 394.446 4.913 0 50 GJAA Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 12386204 XPPNRGQFMOVHDO-HXUWFJFHSA-N 391.540 4.969 0 50 GJAA Cc1nc(CCN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 91665391 OLBMAMISYRVOEC-HNNXBMFYSA-N 382.451 4.608 0 50 GJAA CC(C)(C)OC(=O)N1CCN(c2cccc3sc(Br)cc23)CC1 1857783116 RGWYKLOQACKPIP-UHFFFAOYSA-N 397.338 4.721 0 50 GJAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(c3nccc4ccccc34)C2)[C@@H]2CCCC(=O)N12 2356158282 GXHAYWKLRYJDJD-VAPSRWTKSA-N 391.559 4.877 0 50 GJAA CCO[C@@H]1Cc2ccccc2N(C(=O)NCCN(CC)CC)c2ccccc21 2267765 UARJGJXQCKHIMA-JOCHJYFZSA-N 381.520 4.510 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1F 2289661 QUTIIBSOKWDUSO-UHFFFAOYSA-N 391.899 4.596 0 50 GJAA COc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc12 2951566 LPANIMMOCWTHGS-UHFFFAOYSA-N 387.391 4.846 0 50 GJAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)Oc1ccc(Cl)cc1Cl 4023836 OTGGZRGDUQSVIL-UHFFFAOYSA-N 389.160 4.968 0 50 GJAA COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 4843352 VRTARDBAYNAIGR-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA CC(C)c1nc2cc(C(=O)NCc3c[nH]nc3-c3ccc(Cl)cc3)ccc2o1 12305311 WLKMBXCWNAQZBG-UHFFFAOYSA-N 394.862 4.925 0 50 GJAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccc2nc(C3CC3)oc2c1 12319862 OJRIVGMJOJAMCM-OAQYLSRUSA-N 387.414 4.759 0 50 GJAA Cc1ccc([C@H](C)CCN2CCOc3c(O)cc(-c4cccnc4)cc3C2)o1 12726646 DVQPZCCFOIOIHJ-MRXNPFEDSA-N 378.472 4.744 0 50 GJAA O[C@@H](CN1CC=C(/C=C/c2ccc(Br)cc2)CC1)c1ccccc1 13125108 VABIWRWPHBKECP-BXKJMJEDSA-N 384.317 4.828 0 50 GJAA O=C(O)c1cccc([C@H]2CCCN(Cc3cnc(C4CCCCC4)nc3)C2)c1 95373918 HQROMSTZQKEJAU-NRFANRHFSA-N 379.504 4.602 0 50 GJAA CCO[C@@H](C)c1nc(C(=O)Nc2ccc(CN3CCCCCC3)cc2)cs1 170635350 CSFBCKVMJDIRGZ-INIZCTEOSA-N 387.549 4.869 0 50 GJAA O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 173659017 NKEWWJJQFPRSLZ-UHFFFAOYSA-N 390.405 4.918 0 50 GJAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1O 177406892 LUFOSBWIWVSZLD-HXUWFJFHSA-N 391.471 4.512 0 50 GJAA Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 184415599 UQDIVOGMLRBESP-HSZRJFAPSA-N 380.488 4.583 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)cc1 239174177 PKUHOXJENXEMMM-URXFXBBRSA-N 386.451 4.946 0 50 GJAA CC[C@H](c1ccccc1)N1CC(=O)N(c2cccc(C(F)(F)F)c2C)C1=O 328595245 OWPFQOGEIGSJGM-MRXNPFEDSA-N 376.378 4.934 0 50 GJAA Cc1ccc(NC(=O)N2CC[C@@H](O)CC23CCC3)cc1OCC1CCCCC1 333864035 QOLSHZBBJNVBQK-HXUWFJFHSA-N 386.536 4.865 0 50 GJAA CCN(C)CCN(C)C(=O)c1ccc(-c2c(OC)ccc3ccccc23)cc1 426425435 NHFRFNCEZZKKIU-UHFFFAOYSA-N 376.500 4.539 0 50 GJAA Cc1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)c(Br)c1 1473814990 TVMDYSIHEBEARK-FQEVSTJZSA-N 382.305 4.628 0 50 GJAA Cc1cc(Br)c(NC(=O)CSc2nc3ccccc3[nH]2)cc1C 681991 OWPNQOSMOCRVOV-UHFFFAOYSA-N 390.306 4.673 0 50 GJAA Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccco1 1140668 OUBKOIKRDLNAKL-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 1177636 LBUMGPGFQXUUQS-UHFFFAOYSA-N 395.484 4.536 0 50 GJAA CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 4911961 YERBRNYUYWUNOI-KRWDZBQOSA-N 385.529 4.708 0 50 GJAA Fc1ccc(CSCc2nnc(S)n2-c2ccccc2F)c(Cl)c1 6402779 CMOYFSJNBIZOIP-UHFFFAOYSA-N 383.876 4.921 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)c1 6700631 FBPLSSSDNRXVCQ-UHFFFAOYSA-N 387.439 4.579 0 50 GJAA O=C(CCc1ccccn1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 11664900 YYKGTFUWCUIEMV-RUZDIDTESA-N 399.469 4.809 0 50 GJAA COc1cccc([C@@H](C)NC2CCN(c3nc(C)c4cc(C)ccc4n3)CC2)c1 11783247 ANKARWHSZVCTHV-QGZVFWFLSA-N 390.531 4.575 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccsc1 11822057 AJQVVIONEDGXIE-OAQYLSRUSA-N 393.512 4.929 0 50 GJAA O=C(c1cc(COc2c(F)cccc2F)on1)N(Cc1ccccc1)CC1CC1 11874596 JCSQHNDFXLNBDZ-UHFFFAOYSA-N 398.409 4.584 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2cccs2)CC1 12111812 NTKVQOQUZAGIOR-UHFFFAOYSA-N 383.542 4.722 0 50 GJAA COc1ccccc1/C=C/CN1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12585271 VCCRFAZUYUPLNS-DXSBJVNVSA-N 385.935 4.679 0 50 GJAA O=C(CCC(F)(F)F)N1CCC[C@@H](c2ncncc2-c2ccccc2Cl)C1 14989374 LSOPGXHMGQSLQB-CYBMUJFWSA-N 397.828 4.846 0 50 GJAA O=C(NCc1cccnc1)c1sc2cccc(Br)c2c1Cl 16605003 BZUOZCNYVZEYQN-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA COc1cccc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c1 67946355 NCYZHZDGTBOJCE-UHFFFAOYSA-N 375.468 4.771 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@]3(C)CCCO3)cc(Cl)cc12 71751014 LMRSBVQIOVXCGN-JOCHJYFZSA-N 382.891 4.982 0 50 GJAA Cc1cccc2cc(CN(C)CCN3CCCCC3=O)c(-c3cccs3)nc12 72435744 GWAVBVCWINVAPH-UHFFFAOYSA-N 393.556 4.716 0 50 GJAA O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](c2nccn2CC2CC2)C1 95519183 GHGQRHYWJVWHAX-NRFANRHFSA-N 385.511 4.980 0 50 GJAA Cc1nc([C@H](C)N2CCN(C(=O)C(C)(C)C)CC2)oc1-c1ccc(Cl)cc1 155432557 AOVPYCBBBGSBPS-HNNXBMFYSA-N 389.927 4.555 0 50 GJAA CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 170599577 STHRWXTXQHQYEQ-WBMJQRKESA-N 376.909 4.914 0 50 GJAA C=CC(=O)NCc1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)cc1 192231775 ZWZWETHDOPEVNO-UHFFFAOYSA-N 394.902 4.614 0 50 GJAA CC(C)[C@@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2n1C 223228842 RTWXPZIAYOSNBQ-JOCHJYFZSA-N 392.547 4.938 0 50 GJAA CC(C)(C)OC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 729574543 YVMJSXLCROYKDA-QSGLGXSPSA-N 385.508 4.980 0 50 GJAA COc1cccc(-c2ccc(C(=O)Nc3ccc4nc([C@@H](C)O)[nH]c4c3)cc2)c1 952972501 GZYLRBMZRWJYGO-CQSZACIVSA-N 387.439 4.544 0 50 GJAA O=[S@](Cc1ccc(Cc2ccccc2)cc1)Cc1cccc(OC(F)F)n1 1875322904 MWTWPQSFCKWLSB-HHHXNRCGSA-N 387.451 4.723 0 50 GJAA COC(=O)CC1(CC(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)CC1 1875362933 ZHQDNVWMYUFWSV-UHFFFAOYSA-N 390.530 4.583 0 50 GJAA O=C(NCc1ccccc1)c1cc(N2CCC[C@H]2c2cc(F)ccc2F)ccn1 2325818747 WAKDHZARWSHWGQ-QFIPXVFZSA-N 393.437 4.631 0 50 GJAA CCc1ccc2c(c1)N(C(=O)c1cn(C)nc1-c1coc3ccccc13)CCC2 2325861947 DKJXOYSNCCUHPJ-UHFFFAOYSA-N 385.467 4.989 0 50 GJAA Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 635796 NAWVBLZNAIAHLQ-YADHBBJMSA-N 398.491 4.861 0 50 GJAA COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1OC 717656 BWOPPJMQJQVCGD-ZDUSSCGKSA-N 398.528 4.820 0 50 GJAA CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)cc12 1125420 OWSRICUEPKCEEN-UHFFFAOYSA-N 392.238 4.680 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 1171060 VCGZEQVJYLTQJO-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl 2980847 SFYYMYKABSHCCS-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(F)cc1 8592217 HTXQMDYZABHKQL-GOSISDBHSA-N 380.444 4.613 0 50 GJAA CC1(C)C[C@@H](CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)CCO1 11772490 JWJZCOIOLQUPRP-SFHVURJKSA-N 392.971 4.976 0 50 GJAA CCCCN(Cc1ccccc1)Cc1c[nH]nc1-c1ccc(OC)cc1OC 11818965 GKYOHYBKRHPFGU-UHFFFAOYSA-N 379.504 4.896 0 50 GJAA Cc1ccccc1[C@@H](CC(=O)N1CCC(N2CCCC2)CC1)c1ccccc1 12387323 UDAYYRFRFJATPB-DEOSSOPVSA-N 376.544 4.604 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)N(C)C[C@@H]3CCCO3)cc(-c3ccco3)nc12 20209616 SJNFWOMFVUSWOJ-AWEZNQCLSA-N 384.863 4.708 0 50 GJAA Cn1c2ccccc2c2cc(/C=C3/NC(=S)N(c4ccccc4)C3=O)ccc21 20602290 YKYJXNPKWALRCY-XMHGGMMESA-N 383.476 4.594 0 50 GJAA CCC[C@@H]1CCCN1C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 67774421 STOMIZRMTZDVTE-GOSISDBHSA-N 394.471 4.820 0 50 GJAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC[C@H](c2ccn[nH]2)C1 67894403 RARJGJRIBMIFAY-SFHVURJKSA-N 382.467 4.645 0 50 GJAA COCCC[C@@H]1CCCCN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1 91426077 NJZMPXONNZBMMD-FQEVSTJZSA-N 379.500 4.647 0 50 GJAA COC(=O)c1ccc(N(C(=O)c2cc3ccccc3nc2C)C(C)C)c(C)c1 170630276 BMSKPFKSQQIUBY-UHFFFAOYSA-N 376.456 4.693 0 50 GJAA FC(F)(F)c1cccc([C@@H](NCc2noc(-c3ccoc3)n2)C2CCC2)c1 952845199 FMOQHSCNYGVMRT-KRWDZBQOSA-N 377.366 4.979 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCCCC4)c3n2)cc1 815317 AZKDQWOTDJJVBM-UHFFFAOYSA-N 384.430 4.659 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C)cc1Br 951517 CRHQVCHYSPJMDC-UHFFFAOYSA-N 398.684 4.745 0 50 GJAA CCOC(=O)c1c(NC(=O)Nc2ccccc2C)sc2c1CC(C)(C)OC2 986195 DKZFERUHAJNLQA-UHFFFAOYSA-N 388.489 4.729 0 50 GJAA CC(C)C[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2389784 QVJHCXJPZXRVPE-MRXNPFEDSA-N 381.472 4.805 0 50 GJAA in-vitro Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 2843390 MXRUHKYUHKTZMY-UHFFFAOYSA-N 394.496 4.639 0 50 GJAA COc1ccc(OC)c([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 2857580 RIVQEEFOLKYATR-LLVKDONJSA-N 384.423 4.770 0 50 GJAA CCn1cc(-c2nnc(SCCOc3ccccc3)n2C)c2ccccc21 4759002 NEDLJXJFPBNMMP-UHFFFAOYSA-N 378.501 4.628 0 50 GJAA CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1ccco1 5060046 LTXMYFMRJHEACI-RUZDIDTESA-N 399.446 4.806 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 5533724 GNTXSKDHPVCCEV-GFCCVEGCSA-N 378.501 4.863 0 50 GJAA COCc1cc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1OC 12073478 QXAUEQADFUCZDN-IBGZPJMESA-N 399.556 4.658 0 50 GJAA OCc1cc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)ccc1F 72125249 SJJIGBFYEFPQJY-UHFFFAOYSA-N 389.430 4.605 0 50 GJAA Cc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2cccc(C)c2n1 82155628 OPHODJVQAWHMKT-UHFFFAOYSA-N 376.353 4.940 0 50 GJAA FC(F)Oc1cccc(CN2CCC(c3nccn3CC3CCC3)CC2)c1 91434582 ONGIOJJJTBMPDH-UHFFFAOYSA-N 375.463 4.664 0 50 GJAA CN(C(=O)Nc1ccc(SCCc2ccccn2)cc1)C1CCSCC1 95520497 LVDKIPLIQCFVOY-UHFFFAOYSA-N 387.574 4.776 0 50 GJAA COc1ccccc1-c1n/c(=N/c2ccccc2)sn1-c1ccccc1OC 114408525 XTHRTBCPBWJYRO-FCQUAONHSA-N 389.480 4.850 0 50 GJAA COCCC1(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CCCC1 129311418 IPBVOKAFEYWHOW-SFHVURJKSA-N 386.536 4.545 0 50 GJAA CCC(=O)N(C)c1ccccc1C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 189086949 FZZFSTFNMKUGHW-HNNXBMFYSA-N 387.549 4.781 0 50 GJAA Cc1nc([C@H]2CCCN2C(=O)Nc2nc(Cc3ccccc3)cs2)cs1 189344788 PIKFKCQUOGKXAD-QGZVFWFLSA-N 384.530 4.868 0 50 GJAA CC(C)[C@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 263588505 UYIKSKPFNOAAKX-CTNGQTDRSA-N 392.528 4.919 0 50 GJAA COc1cc(C)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1O 436752883 SCPLWIXKSTYNID-SFHVURJKSA-N 385.510 4.620 0 50 GJAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1F)c1cc2c(OC(F)(F)F)cccc2[nH]1 1875309613 FHIQLBHXQUWVTH-IINYFYTJSA-N 396.315 4.631 0 50 GJAA Cc1ccc([C@H]2CNC[C@@H]2C(=O)Nc2cccc(-c3ccncc3)c2)c(Cl)c1 2325839677 AXAIJIVRMXTORE-RTWAWAEBSA-N 391.902 4.652 0 50 GJAA CC1(C)Oc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)cc2O1 2325854623 MZAJVZVBLVFQPY-DZGCQCFKSA-N 378.255 4.787 0 50 GJAA CN(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1Br 1003680 SKYXXBMKTWVHQW-UHFFFAOYSA-N 384.273 4.640 0 50 GJAA Cc1c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)oc2ccccc12 1055014 DCMXHIVSIBYRCU-UHFFFAOYSA-N 384.435 4.924 0 50 GJAA Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(I)c2)cc1 1066142 WPRZIBDUYZMYGQ-LBPRGKRZSA-N 397.281 4.719 0 50 GJAA COc1ccc(OC)c(NC(=O)c2cccc3c(Br)cccc23)c1 1216512 LCNZVGRSPMFIKL-UHFFFAOYSA-N 386.245 4.872 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1 2850625 KNISHHWUCHHNLG-CYBMUJFWSA-N 379.287 5.000 0 50 GJAA Cc1cccc(-n2ccnc2CNCc2cccnc2Oc2ccccc2C)c1 11936574 PDFVHNZVOCNTOP-UHFFFAOYSA-N 384.483 4.966 0 50 GJAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccccc2Cl)oc1C)C1CC1 12583036 CQOXJBFGJFUGMF-UHFFFAOYSA-N 384.911 4.818 0 50 GJAA Cc1ccccc1CCN1CCC(CN(C(=O)c2ccco2)C2CCCC2)CC1 15067342 RYLFQSPBRFKKJK-UHFFFAOYSA-N 394.559 4.928 0 50 GJAA Cc1ccc(CN(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)C2CC2)s1 96162860 CTDUDGSZKKDOIX-KRWDZBQOSA-N 386.517 4.811 0 50 GJAA Cc1cccc([C@H]2CCCN2C(=O)NCc2nnc(-c3ccccc3)s2)c1 153265855 IRBPOKLBOGXDFS-GOSISDBHSA-N 378.501 4.560 0 50 GJAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1[nH]c3c(C)cccc3c1C)CC2 426711534 YWOXARGYICHKEC-WNOPAQSVSA-N 382.548 4.723 0 50 GJAA Cn1c(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc2cc(F)ccc21 670454427 FFLVSWHWCQTERS-QHCPKHFHSA-N 393.506 4.665 0 50 GJAA COc1cccc([C@H]2CCN(Cc3cccc(F)c3C(F)(F)F)C2)c1OC 1529150874 AWAWMFSBLAESHE-ZDUSSCGKSA-N 383.385 4.851 0 50 GJAA O=C(/C=C/c1c(Cl)cccc1Cl)Nc1nnc(-c2ccncc2)s1 2325743200 DKQZZZVYZFSXSE-SNAWJCMRSA-N 377.256 4.559 0 50 GJAA O=C(Nc1cc(Cl)ccc1Cl)c1cccc(I)c1 822925 IRYMWJSLOMRSTP-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA COC(=O)CCc1sc(Nc2ccc(OC)cc2)nc1-c1ccc(OC)cc1 983704 WPVPWMAXHTVGMC-UHFFFAOYSA-N 398.484 4.677 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)OC(C)C)cc12 1155594 WLTQEVTUMKMMJB-UHFFFAOYSA-N 382.412 4.607 0 50 GJAA biogenic Cc1cc(Cl)cc(Cl)c1OCCCCn1cnc2ccccc2c1=O 2863293 XBFQCJBPMMFIRG-UHFFFAOYSA-N 377.271 4.871 0 50 GJAA O=C(NC1CCCC1)OCc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 2871442 CWGUNFIMNSATGO-UHFFFAOYSA-N 381.403 4.768 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 4828519 DRJGQJLRFQWEKT-IVMMDQJWSA-N 396.413 4.541 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NCc3ccncc3)cc(-c3cccnc3)nc12 6527109 DVCZPAOLHLBHAM-UHFFFAOYSA-N 388.858 4.584 0 50 GJAA CCN(Cc1ccccc1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902652 CQLSUWPGKNUNHS-UHFFFAOYSA-N 379.460 4.864 0 50 GJAA O=C(Nc1cccnc1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 12375387 CUXFPUICRTUILK-UHFFFAOYSA-N 385.345 4.605 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCCSC)cc1 15074560 KDJIAXWYRFCBAY-UHFFFAOYSA-N 385.508 4.530 0 50 GJAA Cc1[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn2c(=O)c1Cc1ccccc1 18254949 WPEGTLMDBIOIKH-UHFFFAOYSA-N 383.373 4.608 0 50 GJAA Cc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3Cl)c2)c1 22171212 QBCMKVJIXGVGKU-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CCc1cccc(NC(=O)c2ccc([C@H]3CCCN3Cc3cc(C)n[nH]3)s2)c1 23580943 FPEKULFNRYIFRD-LJQANCHMSA-N 394.544 4.931 0 50 GJAA CN1CCC[C@H]1CCn1cnc(-c2ccccc2)c1COCc1ccccc1 65398327 RODBSIRJHGHRLZ-QFIPXVFZSA-N 375.516 4.751 0 50 GJAA CCN(Cc1ccc(C)o1)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95362975 MOEFTTISWPYCJY-UHFFFAOYSA-N 377.419 4.704 0 50 GJAA O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1C[C@H]1c1c(F)cccc1F 180226420 LUPWHESILYWAMJ-GTHVPZFQSA-N 395.808 4.507 0 50 GJAA CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 238882073 CHKIYNDAMSPSOR-IAVJCBSLSA-N 386.586 4.935 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC([C@@H](O)c2cccs2)CC1 827908317 DNUPJLSOZATWMA-MRXNPFEDSA-N 384.423 4.744 0 50 GJAA Cc1cc(Cl)ccc1CN1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 864012865 DVDGGPDPRISYCX-HNNXBMFYSA-N 377.315 4.884 0 50 GJAA C[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)N(C)c1ccccc1 915647127 UOFIKXVIZXSQEI-GOSISDBHSA-N 396.494 4.552 0 50 GJAA O=C(Nc1ccc(C(F)(F)F)c(F)c1)N(Cc1ccccc1)Cc1cc[nH]n1 1476902767 DBLDERBHRSGQEN-UHFFFAOYSA-N 392.356 4.802 0 50 GJAA COc1ccccc1-n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 2359322 QIMCKVAXHOALFS-UHFFFAOYSA-N 377.831 4.940 0 50 GJAA O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cl)c(Br)c1 3005600 CJRLGNJMCSUKOF-UHFFFAOYSA-N 394.696 4.999 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 3874188 RQZAXGRLVPAYTJ-XFHMMMKTSA-N 384.516 4.575 0 50 GJAA CCSc1nc2ccc(Br)cc2c(=O)n1-c1cccc(C)c1 4821419 MGIRRLIJFLXKTM-UHFFFAOYSA-N 375.291 4.569 0 50 GJAA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(I)cc1 4913476 LAEIARBTSVSEFO-UHFFFAOYSA-N 393.268 4.732 0 50 GJAA COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 5046796 YUHGFMUZTCFMTI-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA O=C(NCc1cccc2[nH]ccc12)c1ccc2oc(Cc3ccccc3)nc2c1 11813377 CCYFUNJCQRJTBX-UHFFFAOYSA-N 381.435 4.830 0 50 GJAA Cc1ccccc1C[C@]1(CO)CCCN(Cc2nc(-c3cccs3)oc2C)C1 11878693 QEULUZUIERBTFB-HSZRJFAPSA-N 396.556 4.837 0 50 GJAA COc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 13594270 LTONBXNBEKCFOE-KRWDZBQOSA-N 385.529 4.521 0 50 GJAA Cc1ncc2c(c1-c1noc(-c3csc(C)c3-c3ccccc3)n1)CCNC2 20541468 WVXWCFSPWGTJLQ-UHFFFAOYSA-N 388.496 4.790 0 50 GJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 95505848 VOTARRBAKPDZIN-MRXNPFEDSA-N 379.426 4.722 0 50 GJAA CC(C)N(CCNC(=O)[C@H](Oc1ccccc1)c1cccc(Cl)c1)C(C)C 96027309 XVXJIJUOIAGRBV-OAQYLSRUSA-N 388.939 4.695 0 50 GJAA CC(=O)c1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C 135098362 YPXNOSAJCBOLFD-UHFFFAOYSA-N 375.350 4.879 0 50 GJAA O=C(Nc1cccc(N[C@H]2CCS(=O)(=O)c3ccccc32)c1)C1CCCCC1 186380068 CRDAXDHBDLXSQD-FQEVSTJZSA-N 398.528 4.536 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccc(O)cc1)CC(=O)O2 253410914 NYCDFLAYBBDBCG-GOSISDBHSA-N 398.414 4.915 0 50 GJAA biogenic O=C1OCCN1c1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 299802334 YZBRVWCFYBFTES-GOSISDBHSA-N 383.423 4.541 0 50 GJAA Cc1cccc(C[C@H](CO)CNCc2ccc(-c3nc4ccccc4s3)o2)c1 1875253810 DFKFPOIKGVMQCA-SFHVURJKSA-N 392.524 4.806 0 50 GJAA O=C(OCc1noc(-c2ccc(F)cc2)n1)c1cc(-c2ccccc2Cl)no1 1875328209 FPODRTIZRMWOFY-UHFFFAOYSA-N 399.765 4.541 0 50 GJAA COc1ccc([C@](C)(O)CNc2ncnc3sc(-c4ccccc4)cc23)cc1 2325853810 CLRMXBYABHNJTR-JOCHJYFZSA-N 391.496 4.687 0 50 GJAA CCOc1ccc(C(=O)Oc2cncc(-c3cnn(-c4ccccc4)c3)c2)cc1 2325900350 UYDKGSBKLBBYKR-UHFFFAOYSA-N 385.423 4.552 0 50 GJAA COc1ccc(N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 939590 QKSSLWPCGDOTIR-INIZCTEOSA-N 387.694 4.542 0 50 GJAA CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(F)cc2)cc1 993207 WXPNLNNGZYUMMQ-UHFFFAOYSA-N 393.414 4.738 0 50 GJAA CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1C(=O)OC 1200537 JXEITQZCDJLCPU-LLVKDONJSA-N 395.908 4.773 0 50 GJAA Cc1ccc(NC(=O)Nc2nnc(COc3c(C)cccc3C)s2)cc1C 1247740 ZQXYBBXEBLIFIG-UHFFFAOYSA-N 382.489 4.995 0 50 GJAA COc1ccccc1CCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 2867552 TXCYRQIRHLNQQK-UHFFFAOYSA-N 397.478 4.586 0 50 GJAA O=C(CSc1ccc(Cl)cc1)NCCSc1nc2ccccc2s1 2898602 USLQMTNAWXDRGM-UHFFFAOYSA-N 394.974 4.950 0 50 GJAA CC[C@H](C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O)c1ccccc1 4750424 AKJAGEMKCFRLTN-KRWDZBQOSA-N 378.497 4.955 0 50 GJAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc(C2CC2)n[nH]1 11664763 XSWNLYRVDZVARQ-DEOSSOPVSA-N 396.494 4.865 0 50 GJAA Cc1ccccc1[C@@H](CC(=O)N(Cc1nccn1C)C(C)C)c1ccccc1 11820006 WCXWEUWKEBRLDV-QFIPXVFZSA-N 375.516 4.688 0 50 GJAA CCCCc1nc2cc(C(=O)N[C@H](c3ccccn3)C(F)(F)F)ccc2o1 11938469 AXGHBBCJYXYMJA-QGZVFWFLSA-N 377.366 4.599 0 50 GJAA OCC1(C[C@H]2CCCCO2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 11944812 CMBYPGCUKPRDTF-HSZRJFAPSA-N 391.555 4.792 0 50 GJAA Cc1ccc(C)c(-n2cc(CNCCc3c(C)n[nH]c3C)c(-c3ccccc3)n2)c1 12195038 XYXZQOCGXPYJJO-UHFFFAOYSA-N 399.542 4.828 0 50 GJAA CC(=O)c1cccc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)c1 12718626 XKUPIRNRBUHQIQ-XMMPIXPASA-N 380.507 4.516 0 50 GJAA Cc1c(C(=O)N2CCCCCC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 14883717 BZMCBHAWAXAPQF-IXDOHACOSA-N 396.560 4.640 0 50 GJAA O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)C1(c2ccccc2)CC1 23128494 LRQVWDSLDQLOLY-UHFFFAOYSA-N 392.568 4.611 0 50 GJAA CCCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 95523264 OSDQODMBYDITMQ-IBGZPJMESA-N 396.487 4.559 0 50 GJAA Cc1nccn1CC1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 219545876 PPFVGUIPDFAZPQ-UHFFFAOYSA-N 377.463 4.550 0 50 GJAA Cc1c(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cnn1-c1ccccc1 252498638 RGOCRFBPIYOVAP-INIZCTEOSA-N 396.441 4.870 0 50 GJAA Cc1nc2ccccc2nc1N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 301278087 LJJXDCZXRWRIEZ-HNNXBMFYSA-N 383.455 4.759 0 50 GJAA Cc1ccsc1[C@@H](CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)N(C)C 534585514 WNUBBBSGNUJCNK-HXUWFJFHSA-N 396.560 4.515 0 50 GJAA COC[C@H]1CCCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 824370222 NBYBFUZXVMGJFY-INIZCTEOSA-N 377.887 4.917 0 50 GJAA O=C(c1ccccc1N1CCOCC1)N(Cc1ccc(F)cc1)C1CCCCC1 826588333 PUROVTRNVPIJRI-UHFFFAOYSA-N 396.506 4.637 0 50 GJAA C[C@H](NC(=O)Nc1ccccc1SC(F)(F)F)c1ccc2c(c1)OCO2 916699147 QCGRURAJXSRGPB-JTQLQIEISA-N 384.379 4.910 0 50 GJAA O=C(NC1CC2(CCC(C(=O)O)CC2)C1)c1csc(C2CCCCC2)c1 1875338962 RIYQJYUQDSIMKZ-UHFFFAOYSA-N 375.534 4.949 0 50 GJAA COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 648439 MPNVVPNTXHUFJK-UHFFFAOYSA-N 389.757 4.637 0 50 GJAA C[C@@H](C[C@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 1022324 AMSBUBOVKJWMOA-SBUREZEXSA-N 398.470 4.543 0 50 GJAA COC(=O)Cc1c(C)c2ccc(OCc3ccc4ccccc4c3)cc2oc1=O 2197302 VNFQRVQTMWJPPK-UHFFFAOYSA-N 388.419 4.549 0 50 GJAA CCn1cc(Br)c(C(=O)N(C2CCCCC2)C2CCCCC2)n1 2780809 BOCSQQYNDRSHPA-UHFFFAOYSA-N 382.346 4.773 0 50 GJAA CCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)cc1)CCCC3 2976773 GNGMKZQEHYSMKR-UHFFFAOYSA-N 392.451 4.600 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC23CCN(C[C@H]2CC=CCC2)CC3)cc1Cl 12038904 KQDNMVUGAZOKPR-WMZOPIPTSA-N 388.939 4.746 0 50 GJAA CCN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12430217 KYWABKLWYJKWNO-UHFFFAOYSA-N 391.563 4.890 0 50 GJAA CC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19761531 CQCFHVOTOYOTSZ-UHFFFAOYSA-N 384.479 4.700 0 50 GJAA O=C(Nc1cc2c(cc1Cl)OCO2)c1cnc(-c2ccccc2F)s1 129382683 GQQPWVBNYOYLCN-UHFFFAOYSA-N 376.796 4.584 0 50 GJAA COc1ccc(CC[C@@H](C)NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 170601883 NIWLDOVQBYSGRN-LLVKDONJSA-N 386.801 4.514 0 50 GJAA CCOC1CCN(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 171600067 OIJJDJYVRODRLX-AWEZNQCLSA-N 391.512 4.529 0 50 GJAA C[Si](C)(C)[C@@]12C=C3[C@H]4CC[C@@H](C4)[C@@]3(C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 257358645 VPXSYYLHICRJTC-PDEWKTPHSA-N 377.560 4.631 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)cc1 1506400616 XAAQMYVETPWPJC-HSZRJFAPSA-N 388.515 4.506 0 50 GJAA O=C(C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875338776 LNCNEFSVPOQAJJ-OTWHNJEPSA-N 395.396 4.721 0 50 GJAA O=C(CCCOc1ccc(Br)cc1)NCc1ccc2ccoc2c1 2325735859 WMAZSCQCMKHSLG-UHFFFAOYSA-N 388.261 4.671 0 50 GJAA CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OCCn2ccnc2)cc1 2325744981 BZXDAOGATKRPLO-UHFFFAOYSA-N 399.878 4.657 0 50 GJAA CCOc1cc(C(=O)Nc2ccc(OC(C)C)cc2)cc(OCC)c1OCC 951827 PKHQPYDQIMQSIC-UHFFFAOYSA-N 387.476 4.922 0 50 GJAA Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(Br)cc1 2532573 PJGRZPFSQWYJRU-UHFFFAOYSA-N 393.082 4.647 0 50 GJAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 20604944 SQRIMFSJNUPDEX-UHFFFAOYSA-N 389.356 4.596 0 50 GJAA COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)c1OC 25781813 XFZIGCVQWKSTKY-VGSWGCGISA-N 376.412 4.539 0 50 GJAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@H](c1ccccn1)C1CC1 55270260 ZWWSIANKEYCQGC-QHCPKHFHSA-N 386.499 4.620 0 50 GJAA CCc1nccc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n1 71419597 PWSZXTQLZIZUDM-MRXNPFEDSA-N 377.454 4.903 0 50 GJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H](C)n3cccc3)cc12 71738903 GHDZGIZXTFZYGA-MRXNPFEDSA-N 375.447 4.961 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N(Cc1ccccc1)C[C@H]1CCCO1 82108573 DLESQQXLVMRTQY-MRXNPFEDSA-N 384.526 4.693 0 50 GJAA O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N(Cc1ccccn1)C1CC1 178235407 HZGNYRLMELJKQA-FQEVSTJZSA-N 377.488 4.592 0 50 GJAA CCc1cc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)nc(C)n1 534653796 KXGUOVSZGCVUQM-HNNXBMFYSA-N 377.463 4.987 0 50 GJAA Cc1cnc(C2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)s1 763091365 PTSQXTZEZNSWGM-UHFFFAOYSA-N 381.530 4.607 0 50 GJAA CC(C)N1CCCN(Cc2cccc(OCc3c(F)cccc3Cl)c2)CC1 952972162 BBLPTSLKYFLYSE-UHFFFAOYSA-N 390.930 4.974 0 50 GJAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCCCO[C@H]3CCOC3)c2c1 1875259849 LHZFCSPWNLKPFX-IBGZPJMESA-N 391.467 4.563 0 50 GJAA O=C(O)c1cc(Br)cc(NCc2ccc(C(F)(F)F)cc2F)c1 1875303592 FCXAHESPOSSCGX-UHFFFAOYSA-N 392.146 4.917 0 50 GJAA Cc1c(O[C@H](C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 622184 BGEVOTWGOHBDHG-QHCPKHFHSA-N 386.403 4.973 0 50 GJAA biogenic CCCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1218980 MZRJRMNRAHUIFN-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C 4717223 CJNLULVRNIRSID-FPOVZHCZSA-N 376.500 4.794 0 50 GJAA CCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1OCC 6389513 WYIFSCBATDHIAA-UHFFFAOYSA-N 375.494 4.636 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 12442806 BLEBOXITSNUPCJ-QGZVFWFLSA-N 384.451 4.740 0 50 GJAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 72459211 BXBAFFDNAJENCC-AWEZNQCLSA-N 380.498 4.725 0 50 GJAA Cc1cc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)ccc1F 169759786 VPVHSFGKFUKVGH-IBGZPJMESA-N 385.826 4.508 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@H]1c1cccs1 242164709 WXENGYHEJUWSHK-LZWOXQAQSA-N 376.319 4.978 0 50 GJAA CN1CCCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 426677477 NFHNZBULORZQIQ-KRWDZBQOSA-N 376.422 4.587 0 50 GJAA O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 1100363 JLXVOSVPQJSGHK-UHFFFAOYSA-N 384.328 4.637 0 50 GJAA Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 2359413 XUNSZZWKJMLZMQ-UHFFFAOYSA-N 392.843 4.862 0 50 GJAA COc1ccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)cc1 2424447 VMXKUTXOQMFZQT-UHFFFAOYSA-N 377.375 4.622 0 50 GJAA O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)NC1CCCCC1 2805464 FQRWEXSZFJONIG-UHFFFAOYSA-N 377.513 4.838 0 50 GJAA Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)c(C)c1 2982746 VDXOGFZHSVIDQP-UHFFFAOYSA-N 382.268 4.926 0 50 GJAA COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)n2)cc1 6141862 NLNCSIWABVHESF-HNNXBMFYSA-N 396.516 4.525 0 50 GJAA Cc1c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)[nH]c2c(Cl)cccc12 12309033 PTJDIZYHVQRJSX-GOSISDBHSA-N 391.906 4.878 0 50 GJAA CC(C)(C)c1ccc(Cn2c(=N)n(C[C@H](O)c3ccco3)c3ccccc32)cc1 19707760 MOUMGPWYIUPMPW-NRFANRHFSA-N 389.499 4.595 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccccc1C 20606423 XTWIKNBBMBEDPT-QHCPKHFHSA-N 391.515 4.942 0 50 GJAA O=C1c2ccccc2[C@@H]2[C@H](c3ccccc31)C2(Br)Br 43761812 LOJWLOFTSQAXBC-OKILXGFUSA-N 378.063 4.598 0 50 GJAA CO[C@H]1CC[C@@H]2[C@@]1(C)C(=O)C[C@H]1CC[C@H](C)[C@@H](CCC3(C)OCCO3)[C@]21C 71786281 ROQOGZLZWMDINE-RMIWOTPJSA-N 378.553 4.602 0 50 GJAA C/C(I)=C/C[C@H]1C(=O)O[C@H]2[C@H]3[C@H]4C(=CCC[C@]34C)CC[C@H]12 104306043 QNMYWQVKNZFFDE-CDFIWAGMSA-N 398.284 4.639 0 50 GJAA O=C(Nc1cncc(Br)c1Cl)c1cnc(-c2ccccc2)s1 124699471 VHRIYUANYKJKQX-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA Cc1ccc(-c2nnc(SC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)o2)c(C)c1 170640025 KYAPTZLQJZSKRA-OAHLLOKOSA-N 389.521 4.703 0 50 GJAA COc1ccccc1CCNc1cc(NCc2ccccc2Cl)nc(C)n1 244272741 WPJIJAKCPZRCFK-UHFFFAOYSA-N 382.895 4.714 0 50 GJAA COc1cccc(COc2cccc(NC(=O)N3CCC[C@H](OC)CC3)c2C)c1 378625059 OSCFYVOXWDGYJO-IBGZPJMESA-N 398.503 4.615 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-c4ccccc4C)cc3)C1)CC2 1704337781 DMXNNLGHNVSWSX-AREMUKBSSA-N 397.522 4.881 0 50 GJAA C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1csc(Nc2ccccn2)n1 2325839800 FSPCXEMGXNUIFN-HNNXBMFYSA-N 388.496 4.796 0 50 GJAA CC[C@]1(O)CCC[C@H]2CN(Cc3cc(Cl)cc(OC)c3OC(C)C)C[C@H]21 2356161243 MIPQDTPDVHQIAF-KLHJMIIUSA-N 381.944 4.509 0 50 GJAA CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950696 JYQZZQFEACSKKI-GFCCVEGCSA-N 388.803 4.569 0 50 GJAA COc1cccc(C(=O)COc2ccc(NC(=O)c3ccccc3C)cc2)c1 993029 RZRQLKKTRYGTFV-UHFFFAOYSA-N 375.424 4.518 0 50 GJAA CC(C)[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1132018 CJJDWNKWOFYTNW-QFIPXVFZSA-N 398.462 4.613 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCCCC2)C1 1188696 JRMFHYVWGZNPQS-OAHLLOKOSA-N 382.529 4.751 0 50 GJAA CC(C)(Oc1ccc(Br)cc1)C(=O)NCCc1ccc(Cl)cc1 1440213 HCGSSFRTDNYIMJ-UHFFFAOYSA-N 396.712 4.619 0 50 GJAA Cc1cccc(N2CCN(C(=O)c3ccc(OC4CCCC4)cc3)C[C@H]2C)c1 1457128 WODSZSGHEPJZPJ-LJQANCHMSA-N 378.516 4.667 0 50 GJAA O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)c1cccs1 2843806 MPGFEBSHCDUVHH-UHFFFAOYSA-N 381.935 4.939 0 50 GJAA COc1ccc(OCCOCCOc2cc(C)c(Br)cc2C)cc1 4701779 AOLYGHQHVHUARH-UHFFFAOYSA-N 395.293 4.549 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)O 4825169 RJVJOZRPKYNXKZ-MRVPVSSYSA-N 388.634 4.751 0 50 GJAA COc1ccc(Cl)cc1-n1c(S)nnc1CSCc1ccccc1C 6401678 IDOKMMRSLGOCGF-UHFFFAOYSA-N 391.949 4.960 0 50 GJAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)s1 12579002 FYMVZBBAHCYWMB-QGZVFWFLSA-N 391.492 4.839 0 50 GJAA CC(C)Cn1c(=N)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21 19952307 MQZRFPVAIGWESG-UHFFFAOYSA-N 378.303 4.964 0 50 GJAA CC(C)c1noc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c3ncccc23)n1 97733027 YGALRWRHHSSGMK-HNNXBMFYSA-N 385.855 4.764 0 50 GJAA COc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC 169773697 HMEKJEFBQJEWNI-QGZVFWFLSA-N 398.890 4.575 0 50 GJAA CC(C)[C@@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2[nH]1 223223291 DKGYMXYRTHIBCT-OAQYLSRUSA-N 378.520 4.927 0 50 GJAA O=C1CC[C@H](c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2)N1 1857533413 STAZMKZYSASHIM-QGZVFWFLSA-N 390.464 4.511 0 50 GJAA C[C@@H](NC(=O)c1c[nH]cc1Cc1ccccc1)c1ccc2nc(C3CC3)[nH]c2c1 2325825056 BINJXPPFZPZXLA-OAHLLOKOSA-N 384.483 4.850 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cc(C)cc(Cl)c3)C2=O)cc1 2356154724 HNMSHBVEVHHPHV-HSZRJFAPSA-N 396.918 4.759 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c(OC)c1 656364 LTZUAMXDYJLCTH-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc3cc(OC)ccc3c2)sc2c1CCC2 727506 IAQJTNXHDAZEIL-UHFFFAOYSA-N 395.480 4.828 0 50 GJAA Cc1ccc(S[C@H](CC(=O)c2ccc(Br)cc2)C(=O)O)cc1 732240 AYMBZVKWIIAWAP-MRXNPFEDSA-N 379.275 4.576 0 50 GJAA CCOC(=O)c1c(-c2cc(C)c(C)c(C)c2)csc1NC(=O)[C@H]1CCCO1 952968 MXDRAXHXVZEEQF-QGZVFWFLSA-N 387.501 4.635 0 50 GJAA Cc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 957958 YHCFUAPDMQGSJE-UHFFFAOYSA-N 389.451 4.849 0 50 GJAA Cc1c(C(=O)OC(C)C)sc2ncn(Cc3cccc4ccccc34)c(=O)c12 958749 BGFYUUCFAGONEO-UHFFFAOYSA-N 392.480 4.533 0 50 GJAA Nc1nc(SCc2ccc(Br)cc2)nc2sc3c(c12)CCC3 985964 SZTGEPOCNVOCSA-UHFFFAOYSA-N 392.347 4.817 0 50 GJAA Cc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1109744 SRENHPQUQFDUOU-HXUWFJFHSA-N 384.483 4.987 0 50 GJAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Br 2213629 GBQPMLXXFBHSJB-UHFFFAOYSA-N 377.669 4.556 0 50 GJAA biogenic Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(-c2cccs2)o1 2803516 PESFZUGUFQORLR-SSDOTTSWSA-N 389.225 4.612 0 50 GJAA Cc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1Cl 2861384 FRPSRXCRUSNYDE-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2916248 BHTWLOLQXIJKDU-JTQLQIEISA-N 383.662 4.638 0 50 GJAA CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3cccs3)sc2c1 4359456 INKBUBBNJLVSKG-UHFFFAOYSA-N 387.574 4.909 0 50 GJAA CC1(CCC(=O)N2CC[C@@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 12198043 SJFNXARHXIHAKB-GOSISDBHSA-N 390.518 4.606 0 50 GJAA CC(=O)c1cccc(CN(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1 12432439 DBHGGDFWVOIHGC-JOCHJYFZSA-N 398.978 4.929 0 50 GJAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1OC 13124923 MFVDRHZMYDJKDF-SOFGYWHQSA-N 386.245 4.891 0 50 GJAA COc1ccccc1NC(=O)CCn1cnc(-c2ccccc2)c1-c1ccco1 65508262 TXMXXZMCSJJWQH-UHFFFAOYSA-N 387.439 4.848 0 50 GJAA COc1cccc(C)c1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67459630 APEUHJASDYCHHI-QGZVFWFLSA-N 380.271 4.524 0 50 GJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1ccccc1F)C2 67946423 NVEQGLIEKLIIOL-UHFFFAOYSA-N 384.838 4.641 0 50 GJAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@@]3(C)CCCCO3)cc12 77524687 QYUYIABIAJIXIJ-HSZRJFAPSA-N 380.463 4.858 0 50 GJAA COC(=O)c1cccc(C(C)(C)C)c1NC(=O)c1nc(Cl)ccc1Cl 170596297 PWOZWFOTFPQWOB-UHFFFAOYSA-N 381.259 4.725 0 50 GJAA COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 239284734 BZALCZFYPHRMAQ-AYDFFVQHSA-N 389.561 5.060 0 50 GJAA CCn1cc(-c2cccc(C(=O)N3CCCC[C@H]3c3cccc(OC)c3)c2)cn1 299789377 YRRSNYUMYDWSLV-QHCPKHFHSA-N 389.499 4.946 0 50 GJAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(-c3ccc4[nH][nH]c(=N)c4c3)c2)C1 534640790 YKDTWELZEYLXHO-HOYKHHGWSA-N 388.515 4.683 0 50 GJAA O=C(OC[C@H]1CSc2ccccc2O1)c1cc(Oc2ccccc2)ccn1 745950267 KJVNZELFHLDSJW-KRWDZBQOSA-N 379.437 4.584 0 50 GJAA O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccccc1F 633399 KJXKUSBPQDZDTQ-UHFFFAOYSA-N 391.518 4.700 0 50 GJAA COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)c1 643377 QFHQXZHJEIZKGG-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA Cc1ccc(C)c(-c2nc(NC(=S)NC(=O)c3ccccc3)sc2C)c1 653778 CMVCBBIEJKYFBU-UHFFFAOYSA-N 381.526 4.862 0 50 GJAA CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2C1 1142418 ONCHDLBVYDFSES-UHFFFAOYSA-N 399.903 4.939 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)c1 1457138 UYSXMJQCTOJVBZ-IRXDYDNUSA-N 390.483 4.550 0 50 GJAA c1ccc(N2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 2424984 PSUARNYRBBYOFQ-UHFFFAOYSA-N 378.526 4.746 0 50 GJAA aggregator FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(Cl)cnn12 2766553 VPEYCEQCJAFPFV-UHFFFAOYSA-N 376.563 4.831 0 50 GJAA O=C(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1Cl 2799645 ILKZDZCCNOQWME-UHFFFAOYSA-N 399.640 4.678 0 50 GJAA COc1ccc(-c2csc(-c3cc4cccc(OC)c4oc3=O)n2)cc1OC 2878974 FJIHKGZIHZVEJJ-UHFFFAOYSA-N 395.436 4.609 0 50 GJAA CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 2971907 ZKPNXKDEKZQEOU-UHFFFAOYSA-N 388.895 4.608 0 50 GJAA CC(C)(C)c1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 13322769 JFSFHGGGAOHBRW-UHFFFAOYSA-N 385.939 4.987 0 50 GJAA Cc1cccc(Cn2nc(C)c(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2C)c1 13331652 JBPKTEGZFLIXLZ-UHFFFAOYSA-N 392.547 4.947 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(Cc2nc3ccccc3s2)CC1 14952444 SLVVRAZCQNLJFG-UHFFFAOYSA-N 386.948 4.767 0 50 GJAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(COc2ccccc2)on1 20542769 VCPQZGKIJIUYQP-UHFFFAOYSA-N 380.488 4.542 0 50 GJAA CC(C)(O)CCc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)cc1 72463814 IRNSQFULEJMZDA-UHFFFAOYSA-N 398.503 4.583 0 50 GJAA Cc1cc(N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)nc2ccccc12 72480812 JLUONTHXDCMRHB-RUZDIDTESA-N 391.559 4.942 0 50 GJAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C1c2ccccc2-c2ccccc21 219215745 OMAKFYJSEHKUPC-UHFFFAOYSA-N 381.435 4.508 0 50 GJAA C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccc(F)cc1 239302881 FTGMSKYZJVDEFA-WHLAGOTQSA-N 389.514 5.714 0 50 GJAA C[C@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccc(-c2ccncc2)cc1 487311591 PZYIUDBGUJQYNK-FDUHJNRSSA-N 383.495 4.695 0 50 GJAA Cc1ccc(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)c(Br)c1 1473814991 TVMDYSIHEBEARK-HXUWFJFHSA-N 382.305 4.628 0 50 GJAA Cc1cnc(O)n1-c1cccc(-c2noc(C[C@H](c3ccccc3)C(C)C)n2)c1 1875315995 PXPFZYLYYYZUHP-FQEVSTJZSA-N 388.471 4.919 0 50 GJAA CCCn1ccc2cc(NC(=O)c3cc(OC)cc(C(=O)O)c3Cl)ccc21 1875343100 QBXXHCYOCOVERX-UHFFFAOYSA-N 386.835 4.664 0 50 GJAA CC(C)[C@H](C)Cc1nc(-c2ccc(N(C)C)nc2)nn1Cc1ccc(F)c(F)c1 1875348196 IVZSTRIJRRDMJG-OAHLLOKOSA-N 399.489 4.567 0 50 GJAA Fc1cc([C@H]2CCCN2c2cccc(-n3ccnc3)n2)ccc1Br 2325743365 BVPJUJYPYQBRKT-MRXNPFEDSA-N 387.256 4.510 0 50 GJAA CCc1nc(C(C)C)ccc1COC(=O)c1cc2c(OC)cc(OC)cc2[nH]1 2325862552 YOXILAMRHXWLET-UHFFFAOYSA-N 382.460 4.623 0 50 GJAA COc1ccccc1C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 1115177 UIUAZEDVAKPQJI-UHFFFAOYSA-N 391.905 4.745 0 50 GJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 1172893 BSYKEWWUPYXMKJ-GFCCVEGCSA-N 376.909 4.615 0 50 GJAA CCOC(=O)C(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)OCC 1751367 UGKMXUXTHAIMGX-UHFFFAOYSA-N 383.227 4.763 0 50 GJAA O=C(O)CC1(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCC1 2451866 KISHCPBQUWMXSO-UHFFFAOYSA-N 399.874 4.935 0 50 GJAA CCCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c2ccccc12 2884158 ZFZYDKQTRVRGNQ-UHFFFAOYSA-N 380.469 4.605 0 50 GJAA CC1CCN([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 28291558 IIRUIMGNTAVNDQ-QSVDNLTKSA-N 386.605 4.854 0 50 GJAA COc1ccccc1N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 55292160 LBMFQQRDEDWZCB-UHFFFAOYSA-N 388.511 4.596 0 50 GJAA COc1ccc([C@@H](NC(=O)N(C)Cc2cc3ccccc3o2)C(F)F)cc1F 252489790 KALCSFPYXDGGMW-GOSISDBHSA-N 392.377 4.728 0 50 GJAA O=C(O)c1cccc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 253180728 FDIITGNWUNQVJB-UHFFFAOYSA-N 385.419 4.650 0 50 GJAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 262076544 BABYQEOGWWPXKF-GOSISDBHSA-N 392.282 4.988 0 50 GJAA C[C@H]1CC[C@H](C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704300067 SYYLEHWGACDFNU-RQBNJVACSA-N 389.543 4.776 0 50 GJAA COc1cc2c3c(c1)/C(=C/Nc1ccc(F)cc1F)C(=O)N3C(C)(C)C=C2C 1848442461 SAFLDBBQTKKURL-BOPFTXTBSA-N 382.410 4.969 0 50 GJAA O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822613 DZOZPUSVCVXPKD-UHFFFAOYSA-N 387.911 4.794 0 50 GJAA COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(OC)cc1Br 943329 ZZXYJMLRAKBWFP-VMPITWQZSA-N 396.668 4.772 0 50 GJAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C(=O)O)cc1 948612 ZUDKVGYCPPATKH-UHFFFAOYSA-N 384.819 4.815 0 50 GJAA CCOc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 1003671 YIZSEFSBXUOGKT-UHFFFAOYSA-N 376.481 4.879 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cccc2ccccc12 1096063 WNEPVFNUQUNAFL-UHFFFAOYSA-N 375.497 4.567 0 50 GJAA COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 1509052 CYOOIDIOLGFTMH-QFIPXVFZSA-N 396.450 4.563 0 50 GJAA CCCOc1cccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)c1 2089052 WCOIUDHLNQMMIL-IBGZPJMESA-N 390.483 4.599 0 50 GJAA COc1ccc(/C=C/c2nc(-c3cccc(Br)c3)no2)cc1OC 4820425 UVRXUVFTBDRGLM-VQHVLOKHSA-N 387.233 4.687 0 50 GJAA C[C@@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ccccc2)cc1CN(C)C 11910606 UTBSHMJODOCXHD-SFHVURJKSA-N 392.499 4.607 0 50 GJAA Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)no2)cc1 15859693 IHEOHRMEBPFGNJ-JOCHJYFZSA-N 389.499 4.607 0 50 GJAA O=C(NC1CC(OCc2ccccc2)C1)c1cc(Cl)ccc1Br 170596685 APVAYAQZQDCBPY-UHFFFAOYSA-N 394.696 4.580 0 50 GJAA COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1O 263586179 QXFQTVMULLQMBI-SFHVURJKSA-N 398.462 4.878 0 50 GJAA biogenic Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(-c4ccncc4)cc3)cn2)n1 481305884 HNRUGUVOAWYIPZ-LJQANCHMSA-N 383.499 4.797 0 50 GJAA CC(C)(C)[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H](c2ccccc2)O1 1875245118 KTDDQHZBRHXBHC-LEWJYISDSA-N 389.499 4.705 0 50 GJAA COc1ccc(O[C@H]2C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 719093 GKPLVSYLGAWFIO-FCHUYYIVSA-N 377.415 4.678 0 50 GJAA COc1ccc(C2(CNC(=O)c3ccc(OC(C)C)cc3)CCCC2)cc1OC 1109098 JNBRDGVCEUHFTD-UHFFFAOYSA-N 397.515 4.733 0 50 GJAA Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc1 1112484 JGFBBJHGGMCZQA-IBGZPJMESA-N 382.510 4.597 0 50 GJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Br)o1 1207596 NOQMQDHJSMASBL-UHFFFAOYSA-N 399.200 4.808 0 50 GJAA COc1ccccc1N1CCC(N[C@H](C)c2cnn(-c3ccccc3)c2C)CC1 11662768 XUBLWNHSGTYMON-GOSISDBHSA-N 390.531 4.509 0 50 GJAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)c1cccc(Cl)c1F)C2 11909953 OXENMWUDLZUEQF-HNNXBMFYSA-N 396.849 4.583 0 50 GJAA O=C1c2cc3ccccc3cc2S(=O)(=O)[C@@H]1c1cccc(C(F)(F)F)c1 44122675 DWGGWHYDZDEEJP-GOSISDBHSA-N 376.355 4.570 0 50 GJAA COc1ccc2c(C)c(C(=O)N3CCC(c4nccn4C(C)C)CC3)oc2c1 95508699 WVJAMXZVRKKSIJ-UHFFFAOYSA-N 381.476 4.547 0 50 GJAA Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4oc3=O)cn2)c1C 170627128 SNXBAVLIBALTFO-UHFFFAOYSA-N 386.407 4.849 0 50 GJAA CN(C)[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](OC(=O)C(c1ccccc1)c1ccccc1)(C3)C2 245253572 HXYCLZCFMFFDOM-HVEQCYDBSA-N 389.539 4.871 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@@H](O)C(=O)[C@@]12C 257356335 HMBVCMJDBNVJOK-WEJUJPMRSA-N 390.564 4.686 0 50 GJAA Cc1csc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3ccnn3C)c2)n1 333071494 OTZLHGNQFYGVRL-GOSISDBHSA-N 381.505 4.611 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(CSc3ccccn3)cc2)on1 952991907 UPSLHGYGSKOINB-SFHVURJKSA-N 379.485 4.648 0 50 GJAA O=C1C[C@@H](c2nnc(-c3ccc4ccccc4c3)o2)CN1c1c(F)cccc1F 1349947325 LEOGROYTKSMNJA-MRXNPFEDSA-N 391.377 4.689 0 50 GJAA Cc1sc(-c2ccc(O)c(Cl)c2)nc1-c1ccc(NS(C)(=O)=O)cc1 1875323173 ZYRUXASVLMIKTB-UHFFFAOYSA-N 394.905 4.516 0 50 GJAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 939924 UKLZVAGHUBCREB-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 1392117 USSZAILPXHBTOI-UHFFFAOYSA-N 389.333 4.526 0 50 GJAA COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@]1(C)CC1(Cl)Cl 2759335 ZEPJOGSVSWKVRU-QGZVFWFLSA-N 398.311 4.648 0 50 GJAA CCCCOc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)OCC(C)C)cc1 4755528 LPNYLAMPZNIBEP-JWGURIENSA-N 395.499 4.836 0 50 GJAA CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](N)C(=O)O 4899684 XSOLHQWRHYIXOC-OAQYLSRUSA-N 391.536 4.902 0 50 GJAA in-vitro CC[C@H]1CCCCN1Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O 11790769 PFALLNDDLCGMTA-QFIPXVFZSA-N 375.516 4.518 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1 11818041 JLLWGHVCQZGMTN-LJQANCHMSA-N 378.516 4.955 0 50 GJAA Cc1ccccc1CN1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12202117 BSTBOOUJJGOXAG-LJQANCHMSA-N 396.962 4.708 0 50 GJAA Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cccc3ncccc23)c1 12320704 PCYUHRXZZYGLPM-QFIPXVFZSA-N 390.437 4.866 0 50 GJAA Fc1ccc(-n2cc(CNC[C@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 12372845 VQSYRNOUSCWVHM-GOSISDBHSA-N 385.870 4.600 0 50 GJAA COc1cccc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1OC 12431330 UXUFCVVSAQSBQV-KRWDZBQOSA-N 385.529 4.521 0 50 GJAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCc2ccco2)C1 12584918 CCOWQKBZSQAXTD-IBGZPJMESA-N 387.479 4.586 0 50 GJAA CCC(CC)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12836001 KRKJVCCDOQHGKQ-QFIPXVFZSA-N 394.515 4.728 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCC(n3nccc3NC(=O)CC(C)C)CC2)o1 15078093 HTVDZXLYHNPGDC-KRWDZBQOSA-N 386.540 4.600 0 50 GJAA COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1OC 25781811 XFZIGCVQWKSTKY-HTAPYJJXSA-N 376.412 4.539 0 50 GJAA Cc1nnc(SCCC(=O)N(Cc2sccc2C)C2CCCC2)s1 55358687 LVBUIYKRWSPTAI-UHFFFAOYSA-N 381.592 4.670 0 50 GJAA O=C(O)c1ccccc1-c1c(-c2ccccc2)ncn1CCCc1cccnc1 65395869 CNQOWFWHFTXZJW-UHFFFAOYSA-N 383.451 4.943 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 72119218 QOLLMYSVUKKNHJ-UHFFFAOYSA-N 395.894 4.795 0 50 GJAA O=C(O)c1cccc2c1CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 125652991 GTYAUIMBNJRWEC-UHFFFAOYSA-N 399.446 4.692 0 50 GJAA O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 151291918 OMOSTMSWKNEBPB-HOTGVXAUSA-N 397.881 4.865 0 50 GJAA Cc1cc(F)cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 155129119 NTGLHKIBLJJYNZ-UHFFFAOYSA-N 398.747 4.639 0 50 GJAA CCc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)o2)cc1 163018846 BBKGKUDZAUJBFC-UHFFFAOYSA-N 378.403 4.785 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)c(C)n1Cc1ccncc1 456855481 ZGUXGNGZDWLSHP-QFIPXVFZSA-N 395.453 4.804 0 50 GJAA CSc1ccc2c(C)cc(N3CCC([C@H](O)c4ccccn4)CC3)nc2c1 1704350549 BQJSTZWYZVMCNT-QFIPXVFZSA-N 379.529 4.610 0 50 GJAA CCOP(=O)(CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)OCC 1875300789 QKJOTBFRRJXHAE-SFHVURJKSA-N 381.453 4.914 0 50 GJAA Cc1cccc(OC(=O)C2[C@H](c3ccccc3)C(C(=O)O)[C@H]2c2ccccc2)c1 885233 DXSMLZYGZQMMFC-KBFCKHRLSA-N 386.447 4.799 0 50 GJAA C[C@@H]1CC(=O)c2cnc(Nc3nc(-c4ccccc4)c4ccccc4n3)nc2C1 9111328 KRDMDJNKTFOOBC-AWEZNQCLSA-N 381.439 4.595 0 50 GJAA CCNc1ncnc2sc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)c(C)c12 14986942 XCBXFRAXJUUXNH-QGZVFWFLSA-N 394.544 4.841 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(SCc2ccccc2F)s1 17123682 SRSANNAONCWDDP-UHFFFAOYSA-N 378.429 4.753 0 50 GJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1cc(Cc2ccccc2)no1 19223811 OZHAHJZBPWNFHE-UHFFFAOYSA-N 395.509 4.723 0 50 GJAA COC(=O)c1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cc1 20919872 MIIJDPRDTGZRTP-NRFANRHFSA-N 389.499 4.551 0 50 GJAA Clc1ccc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1 72440768 SXGNZWYUTFJDJU-IBGZPJMESA-N 376.953 4.571 0 50 GJAA CC(C)CC[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccoc1 170615982 CXVCQYWFVISCJS-IBGZPJMESA-N 392.565 4.624 0 50 GJAA Cc1nc(SCC(=O)N2CCC[C@H](C)C2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 252444524 SRIHYZCAZXCWDZ-YAVHWGEVSA-N 389.609 4.848 0 50 GJAA COc1ccc(CCN2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 252550194 SFSWQOSGYNIASP-UHFFFAOYSA-N 391.496 4.623 0 50 GJAA CN(Cc1cccc(OCC[C@H]2CCCCN2)c1)Cc1cccc2cccnc12 299758908 LOVXUDZZCRLQMX-HSZRJFAPSA-N 389.543 4.778 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1 822409866 NTQRFTXRANFTBA-MRXNPFEDSA-N 380.463 4.511 0 50 GJAA Cc1sc(-n2cccc2)nc1C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 952963599 WEKIIVUFOZNXSK-UHFFFAOYSA-N 379.489 4.569 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 12091843 MSAQXYNLYYNVPJ-INIZCTEOSA-N 399.947 4.991 0 50 GJAA CN(Cc1ccccn1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12199558 XKADNCDNRCIXOR-UHFFFAOYSA-N 391.858 4.739 0 50 GJAA COc1ccccc1CN(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12317969 RCDIHAQSZMKHGM-UHFFFAOYSA-N 393.575 4.747 0 50 GJAA Cc1cccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 12448464 DUEPRNKXJLMUCC-QFIPXVFZSA-N 387.483 4.785 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3cc(C)n[nH]3)c(-c3cccc(C)c3)n2)cc1 15064774 NOXOPXUUPIUUKE-UHFFFAOYSA-N 385.515 4.820 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N(C)CC4CCCC4)csc3C2)nc1 426531077 XETABWNEWTXYLL-UHFFFAOYSA-N 397.588 4.526 0 50 GJAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccc(-c2ccncc2)cc1 426599577 LMTXGUOXXWPFLQ-XMMPIXPASA-N 385.511 4.706 0 50 GJAA COCc1ccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)cc1 2325749361 BPOIDNQWSTZBNH-YRNVUSSQSA-N 378.403 4.811 0 50 GJAA COc1cccc2c1[nH]c(=N[C@H](CC1CC1)c1cccc(C(F)(F)F)c1)n2C 2325829008 YAKKYMQKQIQVAR-MRXNPFEDSA-N 389.421 4.976 0 50 GJAA O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1109542 REOAUNWNXYQQSV-UHFFFAOYSA-N 378.394 4.713 0 50 GJAA CC1(C)CC(=O)c2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc2C1 1135806 ZIRAGYIQEVKQML-UHFFFAOYSA-N 392.908 4.748 0 50 GJAA NC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 1199954 SRPPFMLRSFHEDP-CMDGGOBGSA-N 395.311 4.685 0 50 GJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(OC)cc3)s2)c1 2213468 XGZNYOWDORCQHD-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA COc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 2837039 XAXRRLHCKQHMFV-UHFFFAOYSA-N 378.453 4.614 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(C3CCSCC3)C2)cc1Cl 11933092 ULJGDUOSRWDDHP-OAHLLOKOSA-N 396.984 4.675 0 50 GJAA COc1ccc(OC)c(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)c1 12581506 URQARMKEOXBUIM-INIZCTEOSA-N 385.529 4.521 0 50 GJAA CCCCOc1c(Br)cc(CNCCc2ccccc2)cc1OC 20512254 JYBVOSDTDVREJA-UHFFFAOYSA-N 392.337 4.969 0 50 GJAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(-c2cccc3c2OCC3)nc1 67713043 OSUWGUIMFKXDQP-UHFFFAOYSA-N 395.462 4.504 0 50 GJAA Fc1ccc(-c2n[nH]cc2Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)cc1 67756321 MDWIICAYOYRCQP-SFHVURJKSA-N 388.446 4.632 0 50 GJAA Cc1ccc(-c2nc(CN3CCN(c4cccc(C)c4C)CC3)c(C)o2)s1 67774238 BQKMXEBYZLRXGB-UHFFFAOYSA-N 381.545 4.959 0 50 GJAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 246077398 JXDAYTOYPPGWCQ-NTDBWNAOSA-N 375.459 4.599 0 50 GJAA O=C(O)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 309580643 WKVGPCFTQNTULR-UHFFFAOYSA-N 379.456 4.655 0 50 GJAA C/C=C/CCc1nc(-c2ccnc(Cl)c2)nn1-c1ccc(OC)c(OC)c1 1875348962 ILTYQXQLOAPTJK-SNAWJCMRSA-N 384.867 4.509 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc3ccccc23)NC(=O)N1 862492 UZFPXJJOFXGMLQ-FQEVSTJZSA-N 391.858 4.760 0 50 GJAA CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(N)c1 1112559 NELSWOPHZDUZHP-UHFFFAOYSA-N 389.322 4.602 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 4844543 NCINMDUQCHCRCK-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA C[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccc(Cl)cc4)c(=O)c23)C1 17077117 CBTFFZGSBCQPRL-JTQLQIEISA-N 376.934 4.947 0 50 GJAA COc1c(C)cccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67489600 BNPUMEAJAXUOOR-KRWDZBQOSA-N 380.271 4.524 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(c4nc5ccccc5s4)C3)C2=O)c1 72154576 ODNFDLUHEKJZHL-QHCPKHFHSA-N 391.540 4.624 0 50 GJAA COc1cccc([C@@H]2CCCN2C(=O)c2csc(Cc3ccccc3)n2)c1 77355288 RQVIEJFCEDNLMR-FQEVSTJZSA-N 378.497 4.720 0 50 GJAA C[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1 170615101 SLHDQKBHRWBDJM-ZDUSSCGKSA-N 390.302 4.642 0 50 GJAA CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(C)c2cccc(O)c2)cs1 170654814 DDQVFUROKNBIGQ-UHFFFAOYSA-N 387.892 4.823 0 50 GJAA C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 913232948 PQHGEKVTONDBEO-XIKOKIGWSA-N 391.298 4.762 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 952974364 MFHBWOOCHGFNCR-SFHVURJKSA-N 376.460 4.541 0 50 GJAA COc1cccc(C)c1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCC(C)CC1 952979575 NOTOYIHYMWKLBU-NRFANRHFSA-N 380.532 4.515 0 50 GJAA CCNC(=O)c1ccc(CNc2ccc(Oc3ccc(C)cc3OC)nc2)cc1 1875329122 FZZRUUCPKWABKR-UHFFFAOYSA-N 391.471 4.553 0 50 GJAA O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 2325700757 AWPNECYMFSFCCH-QFIPXVFZSA-N 397.478 4.769 0 50 GJAA COC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1-c1cc(C)ccc1C 1001934 DPGVRDZKQGDSDK-UHFFFAOYSA-N 380.469 4.774 0 50 GJAA Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 1003642 RJKXEFVNGZTLBN-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1064205 FQDRWSDZTSEMFO-UHFFFAOYSA-N 392.290 4.581 0 50 GJAA COc1cc(Br)cc2cc(-c3nc4ccccc4s3)c(=O)oc12 1072045 FTIWRIJCLCFTEJ-UHFFFAOYSA-N 388.242 4.841 0 50 GJAA CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 1182248 UMYIKNMTSDABDC-OQKWZONESA-N 376.500 4.593 0 50 GJAA Cc1cc(C)cc(C[C@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)c1 4698240 CMEHWZKCDVGJRA-UQQXROCHSA-N 379.544 4.828 0 50 GJAA CN(Cc1ccccn1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1 12305133 WDTOKHMICFGVOG-OAQYLSRUSA-N 380.875 4.621 0 50 GJAA C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccs1 21297759 OGTNDDJRDTVCIO-JOCHJYFZSA-N 393.464 4.587 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)no2)cc1OC 36620354 MREGGJXFGHYPEI-IBGZPJMESA-N 392.455 4.645 0 50 GJAA Cc1cc(C)nc(Nc2cccc(OCc3nc(-c4cccs4)no3)c2)n1 72172397 CHOYTGVWMQVLNW-UHFFFAOYSA-N 379.445 4.528 0 50 GJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl 170591291 UPGXASUNTWFQNN-INIZCTEOSA-N 396.318 4.856 0 50 GJAA Cc1cc(-c2cnc(N)c3c(-c4ccc5scnc5c4)csc23)n(C)n1 253476140 BPKSNNJTKPIZKR-UHFFFAOYSA-N 377.498 4.864 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@@H](C)[C@@H](C)N 262533715 OSODOPHJCJLARQ-LSDHHAIUSA-N 382.483 4.654 0 50 GJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1n[nH]c(C2CCC2)n1 263588013 NZKMUXBQNCGRCI-FQEVSTJZSA-N 385.471 4.645 0 50 GJAA Cc1noc(C2CC2)c1C(=O)Nc1cccc([C@H](C)Sc2nccn2C)c1 2325803025 JIRLGLZVZMLLEA-ZDUSSCGKSA-N 382.489 4.700 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1174983 ROWDABZTEOITHO-UHFFFAOYSA-N 379.803 4.831 0 50 GJAA CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 1190793 LKMOZGKQULUHBU-UHFFFAOYSA-N 391.452 4.777 0 50 GJAA CCCOc1ccc(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1778068 SXJTVFCYUWWRQJ-JXMROGBWSA-N 375.852 4.798 0 50 GJAA CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 2469506 BJLUSZVGUVIDMU-QGZVFWFLSA-N 397.515 4.727 0 50 GJAA CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 2721617 ZVQMFBUXUOPGDS-UHFFFAOYSA-N 377.462 4.816 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)[C@@H](Sc1ccccc1)c1ccccc1 4426495 YTKNXPZKJBWGIC-NRFANRHFSA-N 377.465 4.565 0 50 GJAA CCOC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc2c1CCCCC2 6595171 WESQHUPLAVTOHY-CYBMUJFWSA-N 380.579 4.622 0 50 GJAA Cc1ccc2c(c1)CN(Cc1ccc(OCCO)cc1)C[C@H](c1ccsc1)O2 14951669 GULDGPKLUVJVSM-HSZRJFAPSA-N 395.524 4.564 0 50 GJAA Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)sc2ccc(F)cc12 155243037 RQBMLGMGDIAYHO-HNNXBMFYSA-N 397.519 4.699 0 50 GJAA Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 184286554 APTRMMUSHYORNA-HNNXBMFYSA-N 397.866 4.505 0 50 GJAA Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 240444246 FWWAAVPLFRUJKP-JENIJYKNSA-N 380.488 4.929 0 50 GJAA CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1 252536455 IPTFGFMMVMYEEP-UTKZUKDTSA-N 391.515 4.515 0 50 GJAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 253630176 VIPVIVWYOPTEQP-GFCCVEGCSA-N 389.427 4.935 0 50 GJAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](n2c(C)nc3c2CCCC3)C1 329881921 PDUMYXZDCAPORF-QGZVFWFLSA-N 398.576 4.580 0 50 GJAA Cn1c(-c2ccc(Cl)cc2)cn(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N 334157571 MUVJZOVLLXQJEC-UHFFFAOYSA-N 394.689 4.816 0 50 GJAA CSc1ccc2c(C)cc(N3CCC[C@@H](OCc4cccnc4)C3)nc2c1 1529124975 CDTDYFUVWOMWLZ-GOSISDBHSA-N 379.529 4.846 0 50 GJAA O=C(Nc1ncc([C@H]2CCCCO2)s1)N1CCC[C@H]1c1ccccc1F 2325789982 AKRDBHDROXQPLB-JKSUJKDBSA-N 375.469 4.893 0 50 GJAA Cc1cccc([C@@H](C)NC[C@@H](CO)Cc2cccc(Br)c2C)c1C 2325842272 SVZZYJOXUSBEGA-MSOLQXFVSA-N 390.365 4.876 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccnc3)nc2c1 780307 DNRBVTQMPHFQBN-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 1188314 KWMGSYYWZHPQRD-UHFFFAOYSA-N 392.480 4.750 0 50 GJAA O=C(NCCCn1ccnc1)c1cc(-c2ccccc2Cl)nc2ccccc12 2737136 AYCQAWBVDDHYTN-UHFFFAOYSA-N 390.874 4.572 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1F 2970343 CCUSMJXMMVTLNS-UHFFFAOYSA-N 393.039 4.913 0 50 GJAA COc1ccc(CCn2c(C)c3c(C)nn4cc(C)cc4c3c2C)cc1OC 4821421 TWSJEGDZBCFAHW-UHFFFAOYSA-N 377.488 4.783 0 50 GJAA COC(=O)c1c(NC(=S)N2CCC(C)CC2)sc(C)c1-c1ccccc1 6824915 YWVGBCCAZGPINI-UHFFFAOYSA-N 388.558 4.939 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C/C=C/c2ccco2)C3)c1 12218392 BOIDTZPCTRNJGT-XBXARRHUSA-N 391.467 4.872 0 50 GJAA CCn1ncc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)c1C 12300815 YTDBPKNECLOLOW-NRFANRHFSA-N 377.536 4.509 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 12836303 KAKMBGFNPMHURL-HXUWFJFHSA-N 388.442 4.623 0 50 GJAA O=c1c2ccccc2c(-c2ccc(O)cc2)nn1-c1cccc(C(F)(F)F)c1 13126165 ANEKFIJIDVYPOG-UHFFFAOYSA-N 382.341 4.777 0 50 GJAA COc1cccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)Cc2cccnc2)c1 19739948 ZQGCQCKHGHISHD-IBGZPJMESA-N 398.510 4.664 0 50 GJAA COc1cccc2ccc(-c3c(-c4ccccc4)ncn3C3CCNCC3)nc12 65406751 IMLHVIHZLQNWAH-UHFFFAOYSA-N 384.483 4.698 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n1 82230638 IQCONMMUOIQIEV-UHFFFAOYSA-N 392.463 4.613 0 50 GJAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F 137969383 ZJKUIWDREXBGCG-UHFFFAOYSA-N 382.691 4.703 0 50 GJAA Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C(C)C)cc1Br 170615022 DDAPZZJKBRHIQK-UHFFFAOYSA-N 388.371 4.834 0 50 GJAA Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 263618346 SNAHWLPOFFLAEK-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA O=C(Nc1ccc2ncsc2c1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 333692881 CFOJKFVXKQUHRS-HNNXBMFYSA-N 399.438 4.509 0 50 GJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@H]1C[C@H]1c1cccs1 1857798598 QDEZCWUUZQNJFB-OLZOCXBDSA-N 375.906 4.586 0 50 GJAA Cc1csc([C@@H]2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)n1 1875332138 GVGCDPXNFYDKHY-GOSISDBHSA-N 388.496 4.625 0 50 GJAA Cc1ccccc1-c1nnc(C)n1-c1ccc(OCc2cc(Cl)n(C)n2)cc1 2325819535 HXMXXCXTBQJTHQ-UHFFFAOYSA-N 393.878 4.517 0 50 GJAA Cc1c(C(=O)O[C@H](C(=O)NC(C)C)c2ccccc2)sc2ccc(F)cc12 2325874618 ULJLLAHUPZMLFC-SFHVURJKSA-N 385.460 4.772 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 669584 WLNOHGYPHCFZEX-NSHDSACASA-N 390.936 4.904 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3Cl)c(N)c12 802422 AUMOGBGBWNQVKM-UHFFFAOYSA-N 396.299 4.892 0 50 GJAA COc1ccc(C2(CNC(=O)c3cc4ccccc4o3)CCCC2)cc1OC 857367 CPVKTQCNZORDDG-UHFFFAOYSA-N 379.456 4.692 0 50 GJAA COc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 992994 VYJIGXXAWSNKGB-QGZVFWFLSA-N 389.451 4.906 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccccc2Cl)cc1 1050157 MYWGCNSGTANONV-DLBZAZTESA-N 384.863 4.508 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 1166048 IRDLEFWJGOHCKM-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA COC(=O)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 1787135 BVMHVFZSCBHVSU-UHFFFAOYSA-N 375.852 4.541 0 50 GJAA COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 55552722 URKZEPWWMBRPIX-UHFFFAOYSA-N 384.435 4.520 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccc(C)c(C)c3n2)cn1 63832770 RWQKNBQNITZAKX-MRXNPFEDSA-N 376.504 4.750 0 50 GJAA CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 113651355 QFOZQYXYXFTQNB-MRXNPFEDSA-N 397.450 4.501 0 50 GJAA Cc1cc(F)cc2c(=O)c(C(=O)N3CCc4cc(-c5ccccc5)ccc43)c[nH]c12 122675640 KKQQYAZJPQKCNQ-UHFFFAOYSA-N 398.437 4.846 0 50 GJAA C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Sc2ccccc2Cl)nn1 155571704 ZMNRHCKEECTOQF-ZDUSSCGKSA-N 399.903 4.820 0 50 GJAA Cc1nc(O)cc(-c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)n1 238899952 HJNSNAVAQFNFFI-UHFFFAOYSA-N 377.375 4.604 0 50 GJAA CC(C)(C)c1cc(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)n(-c2ccccc2)n1 242273731 YFLXIDPCNZJUOK-OALUTQOASA-N 394.563 4.620 0 50 GJAA CC(C)(C)c1nc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cs1 330036806 YPSGJEYVMSZRAC-MRXNPFEDSA-N 383.517 4.878 0 50 GJAA Cc1nc(-c2ccc(CCNC(=O)c3cc(F)ccc3Cl)s2)cs1 431665295 OOEDWJXLOCNRMG-UHFFFAOYSA-N 380.897 4.945 0 50 GJAA Cc1csc(-c2ccc(NC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)cc2)n1 454686443 LZCGYJLBBZCSCU-RTBURBONSA-N 394.500 4.555 0 50 GJAA COc1ccc(CCNC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@H]32)cc1OC 954204912 HIORFBZGFBAVJO-NPHXMPSESA-N 383.532 4.691 0 50 GJAA C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 1875338624 FBDPCJMIBLTRBV-PBZHRCKQSA-N 391.437 4.547 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(F)cc3)cc12 637411 ZSGPYPUEGBYMGO-UHFFFAOYSA-N 388.398 4.548 0 50 GJAA CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 670003 PGEHCTQVPUQBQP-FPMFRTRJSA-N 397.449 4.571 0 50 GJAA Nc1c(-c2ccccc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 2508499 JSWBCHFQKSPRJZ-UHFFFAOYSA-N 396.281 4.809 0 50 GJAA aggregator COc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)c1 4794721 AZAVCIFFYFPDDW-UHFFFAOYSA-N 377.492 4.559 0 50 GJAA Cc1ccc(-n2c(S)nnc2-c2ccc3ccccc3n2)c(Br)c1 5797155 BLZFPAHLNZWWPF-UHFFFAOYSA-N 397.301 4.842 0 50 GJAA COc1ccc2[nH]c(CN[C@H](C)c3cnn(-c4cccc(F)c4)c3C)c(C)c2c1 12076300 KBTMQVVTSKMOJW-OAHLLOKOSA-N 392.478 4.969 0 50 GJAA O=C(CC1CCCC1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12435391 UAJQGYYGKNEMFF-UHFFFAOYSA-N 383.580 4.645 0 50 GJAA CCn1cc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c2ccccc21 12439364 BFWFUAFDOXUGHC-XMMPIXPASA-N 380.507 4.618 0 50 GJAA C=Cc1ccc(C(=O)N2CCC(CCc3ccccc3)(C(=O)OCC)CC2)cc1 12596905 NHNOEQQZYLMGKF-UHFFFAOYSA-N 391.511 4.748 0 50 GJAA CCCn1cc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c(C)n1 12612591 BPQZVGCGPZSGTQ-QFIPXVFZSA-N 377.536 4.571 0 50 GJAA O=C(CCC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1)Nc1ccccc1 15063582 HWTCLRASUQSYOV-UHFFFAOYSA-N 388.515 4.708 0 50 GJAA C[C@H]1CCCN(C(=O)c2cc(-c3cnn(C(C)(C)C)c3)nc3ccccc23)C1 63872150 PWMOWMDRTQLQKD-INIZCTEOSA-N 376.504 4.725 0 50 GJAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1 67771795 PRPSJDGOYMLLBX-UHFFFAOYSA-N 378.476 4.516 0 50 GJAA CCOC(=O)[C@@H](C)CC(F)(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C 95630473 YIGOAWBCKINPSP-HNNXBMFYSA-N 385.451 4.648 0 50 GJAA CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F 170603734 YRBKZQFNGXPTPX-TZIWHRDSSA-N 393.449 4.912 0 50 GJAA O=C1CC[C@H]2CN(C(=O)c3c[nH]nc3-c3cc4ccccc4o3)c3cccc1c32 189150776 KENVVYXZQZZGOL-AWEZNQCLSA-N 383.407 4.543 0 50 GJAA O=C(NCC1(N2CCCCC2)CCCC1)c1ccc(-c2cccc(O)c2)cc1 426578554 HBYDGHGFFUUNNN-UHFFFAOYSA-N 378.516 4.588 0 50 GJAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(SC(F)(F)F)cc1 731874707 RVERAZSDUBPWMN-UHFFFAOYSA-N 385.798 4.758 0 50 GJAA COc1cc(Br)c(-c2cc3cc(Cl)ccc3oc2=O)cc1OC 838884 NQGNJGQYORCVSV-UHFFFAOYSA-N 395.636 4.893 0 50 GJAA COc1ccc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 868787 PTYGROSWVBZXOC-HSZRJFAPSA-N 394.492 4.792 0 50 GJAA Cc1ccc(NC(=S)NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 2999353 OYRCHGLFGCCQGP-UHFFFAOYSA-N 391.540 4.732 0 50 GJAA C[C@@H]1CN(C(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C[C@@H](C)O1 5696376 ZGQCDPXTQARJRN-QZTJIDSGSA-N 375.468 4.668 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)n2)c1 11761487 NCWRDZPOMXMVLE-XMMPIXPASA-N 381.479 4.968 0 50 GJAA CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1 12090237 FOAUJIYKAKWGPA-SFHVURJKSA-N 396.497 4.609 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 12836657 NNEZNRIDFQGOJR-SFHVURJKSA-N 382.479 4.714 0 50 GJAA Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1F 13320226 TXMRHZBELYIQCV-UHFFFAOYSA-N 396.293 4.791 0 50 GJAA CCn1c(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)nc2ccccc21 20119473 MEOZWIWVNWRDLA-KRWDZBQOSA-N 381.907 4.805 0 50 GJAA COc1ccc(CN2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)c(F)c1 20205429 HBXNPNSCKNYKHL-UHFFFAOYSA-N 379.479 4.912 0 50 GJAA CCc1nccc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1 67725339 BTRWUVMJLCQPMG-UHFFFAOYSA-N 396.494 4.919 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1nccn1CC 169811527 MPVBYTOPMQUEND-UHFFFAOYSA-N 385.184 4.959 0 50 GJAA C[C@H]1Cc2c(sc(NC(=O)c3ccco3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 170607590 GJBPQJYMMVVBQJ-WDEREUQCSA-N 377.462 4.571 0 50 GJAA O=C(CCCOc1cccc(Cl)c1Cl)N[C@@H]1CCCC12CCOCC2 225715841 XVYPHLDBZZVNJT-MRXNPFEDSA-N 386.319 4.618 0 50 GJAA Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(Cl)c4)no3)c2CO1 263616771 KKZAFKKVWLUNAI-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 263617634 OUMXJJUOOVVTTJ-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA CCn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3c3cccc(OC)c3)c2)cn1 299789376 YRRSNYUMYDWSLV-HSZRJFAPSA-N 389.499 4.946 0 50 GJAA Cc1ccc(-c2nc(CCNC(=O)c3ccc(C(F)(F)F)c(F)c3)co2)cc1 439534497 NHCNMTZPLMMBEH-UHFFFAOYSA-N 392.352 4.780 0 50 GJAA COc1c(C)cc([C@@H](C)NC2CCN(C(=O)c3ccccc3)CC2)cc1Cl 796719006 YCSASPPWIAEGKP-MRXNPFEDSA-N 386.923 4.612 0 50 GJAA O=C(NC[C@]1(F)CC[C@H](C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 1775956778 UPPJXTVPFUGDSG-CWSKOGRWSA-N 397.446 4.508 0 50 GJAA COc1cc(CNC[C@H]2CCCc3cccnc32)c(-c2ccccc2)cc1OC 2325793008 BPNIZRIIOVISKN-HXUWFJFHSA-N 388.511 4.976 0 50 GJAA O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1Cl 630020 BHUHRUYWWXSCJX-UHFFFAOYSA-N 384.060 4.514 0 50 GJAA CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1ccco1 952477 DWLWBBIBTZBDCV-UHFFFAOYSA-N 385.441 4.836 0 50 GJAA c1ccc2cc(OCc3nc4c5c6c(sc5ncn4n3)CCCC6)ccc2c1 1059714 MQWSGIUUKSFHCK-UHFFFAOYSA-N 386.480 4.950 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1 1169031 XQMKROUEKXNLLV-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCCc1cc(C(=O)OC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 2759525 BOAVNAQIXMYRLZ-UHFFFAOYSA-N 395.908 4.937 0 50 GJAA Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 2816656 UFYYTYZYHNIOGT-UHFFFAOYSA-N 396.556 4.929 0 50 GJAA CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)Nc1ccccc1-2 2912733 CPSAQGBZBVJGGR-GOSISDBHSA-N 380.473 4.552 0 50 GJAA Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 5490750 ZDIKDOHZCTUNOU-UHFFFAOYSA-N 376.359 4.838 0 50 GJAA COc1ccc(CNCC[C@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13511982 BWDBVIZIEPZRRP-BPYKYCOYSA-N 380.576 4.764 0 50 GJAA Cc1cc2nc(N3CCC(N[C@H](C)Cc4cccs4)CC3)nc(C)c2cc1C 14996185 DWXSYTQJHJEWAV-QGZVFWFLSA-N 394.588 4.806 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100964047 XWVARADXLLMZLV-BIPCEHGGSA-N 381.884 4.803 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@H]4C[C@@H]4c4cccc(F)c4)CC3)oc12 170602647 INDROQYSDGIJCZ-MOPGFXCFSA-N 378.447 4.785 0 50 GJAA CC(C)c1nsc(N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)n1 170616201 IAOBXIAQFKWPEE-SNVBAGLBSA-N 392.326 4.987 0 50 GJAA CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccc(OC)cc1 225504904 YMBLJQIKZGOSHD-QGZVFWFLSA-N 394.327 4.657 0 50 GJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 239412441 SRRCRVCMDTXHRV-UPVQGACJSA-N 388.442 5.467 0 50 GJAA CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H]1C 239433497 XTXJCNLNKMWVKO-AFQFEXIYSA-N 379.588 6.417 0 50 GJAA Fc1cccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)c1F 299780174 RIRGHHUTCMCKNJ-UHOSZYNNSA-N 381.426 4.632 0 50 GJAA CCCN(C)CC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1453978902 VPBLVVKTSDNILE-UHFFFAOYSA-N 376.585 4.837 0 50 GJAA CC(=O)c1cn([C@H](C)C(=O)Nc2c(C)cnn2C2CCCC2)c2ccccc12 1529105044 VTOOYHDTHSXSPN-OAHLLOKOSA-N 378.476 4.664 0 50 GJAA c1ccc(CN2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)nc1 1857703251 OIMUECDUAUVOLP-XMMPIXPASA-N 393.575 4.544 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1C[C@H]2CCCCCC[C@@H]21 1875262345 SEXRRWRBNXAMEN-AEFFLSMTSA-N 392.528 4.791 0 50 GJAA O=C1CCCCN1Cc1ccc(-c2nnc(-c3c(F)cccc3Cl)o2)cc1 2325723355 RDTSRXMCTAJYLQ-UHFFFAOYSA-N 385.826 4.709 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(F)c1 937864 LAKNZOSCKJQMRD-UHFFFAOYSA-N 399.443 4.992 0 50 GJAA CCc1ccc(C(=O)Nc2ccc(I)cc2CC)cc1 1112412 WJEPXOCDWVNYOI-UHFFFAOYSA-N 379.241 4.668 0 50 GJAA CCOc1ccc2nc(S[C@@H](CC)C(=O)Nc3cc(C)on3)sc2c1 1150332 ZWEJDNXKPIBLJF-ZDUSSCGKSA-N 377.491 4.501 0 50 GJAA O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1Cl 1229907 IPFWBDMRZHLEEF-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 1230634 DYGAFDQFAQGLRC-UHFFFAOYSA-N 381.497 4.992 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 1460054 OCJDSPRTIJNMLJ-IBGZPJMESA-N 389.451 4.757 0 50 GJAA COc1ccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)cc1 12436305 FOXOTKRAXYEVQS-UHFFFAOYSA-N 393.575 4.747 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(C)c1 14976433 SOVTUTUMPLSUON-SFHVURJKSA-N 384.495 4.774 0 50 GJAA O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2cccc3ccccc23)CC1 20533975 DEGKUEPIBVSPID-UHFFFAOYSA-N 397.881 4.982 0 50 GJAA Cc1nn(Cc2ccccc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 20604603 VRDRTHFJMYUAHC-UHFFFAOYSA-N 385.393 4.516 0 50 GJAA OC1(c2ccc(Br)cc2)CCN(Cc2ccccc2Cl)CC1 23282850 HOLHMNBRWFUZDE-UHFFFAOYSA-N 380.713 4.586 0 50 GJAA COc1ccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)O)cc1 25781763 CPWJDGAPPJKEFZ-UHFFFAOYSA-N 381.190 4.692 0 50 GJAA CC(C)c1cc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)n(C)n1 91459352 ASHXVGLDJDEGKL-UHFFFAOYSA-N 387.527 4.766 0 50 GJAA O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@@H]1c1cccc(F)c1 91997770 CNJBUPJADDQAGC-JOCHJYFZSA-N 377.463 4.828 0 50 GJAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 170629071 FIJOJDKKZICKQI-YOEHRIQHSA-N 397.425 4.598 0 50 GJAA Brc1cccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 257370769 HEGRQVZYUPRVKO-WOJBJXKFSA-N 377.370 4.678 0 50 GJAA O=C(NC1=NN=C(c2ccccc2)CS1)c1cccc(Oc2ccccc2)c1 1857798236 WVZDQYWMTCFROP-UHFFFAOYSA-N 387.464 4.716 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1C[C@@H]2CCCCCC[C@H]21 1875262346 SEXRRWRBNXAMEN-FUHWJXTLSA-N 392.528 4.791 0 50 GJAA Cc1cc(F)c(CN(CCc2ccccc2)[C@@H]2CCOC2)c(Br)c1 2325870449 YLSSMQUUKUFHRM-QGZVFWFLSA-N 392.312 4.730 0 50 GJAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 947522 TVMQEFMXKYZLHC-UHFFFAOYSA-N 394.780 4.758 0 50 GJAA Clc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 4155112 IIMHZWHJJPXEEI-UHFFFAOYSA-N 384.892 4.840 0 50 GJAA COC(=O)CCc1ccc(CCCCCc2ccc(CCC(=O)OC)cc2)cc1 4788035 CCAYQONOMLDUBC-UHFFFAOYSA-N 396.527 4.853 0 50 GJAA Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1 5577153 LHEOFGBKERIXQQ-KGLIPLIRSA-N 378.881 4.601 0 50 GJAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc(OC)c1 11820351 DUGCUBWPYUBKDR-DEOSSOPVSA-N 386.499 4.541 0 50 GJAA CN(CCOc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 11844224 DNMWBKOWEBFOTI-UHFFFAOYSA-N 399.494 4.761 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)CCCc3cccs3)C2)c(C)c1 12202219 WKNDCNGSXGKHOO-KRWDZBQOSA-N 385.529 4.509 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2c(F)ccc(F)c2F)c1C 12304381 MYGQTGRFFVNSLG-KRWDZBQOSA-N 399.416 4.714 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1C 263616701 KCTAIOSOLNFXJX-GOSISDBHSA-N 381.863 4.984 0 50 GJAA O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@H](Oc2ccncc2)C1 1875255652 PNZBRFDBNNKYHW-QFIPXVFZSA-N 395.462 4.590 0 50 GJAA O=C(NC[C@H]1C(F)(F)C12CCOCC2)c1cc(-c2ccccc2)ccc1Cl 1875297242 IFDJAJHZFNNZKP-GOSISDBHSA-N 391.845 4.799 0 50 GJAA Cc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(Br)c2C)cc1Cl 1070560 ZZBAIUQJIDWQME-SNVBAGLBSA-N 384.705 4.814 0 50 GJAA O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1cccc(F)c1 1071887 ZADFCCSJFFLPEY-UHFFFAOYSA-N 379.416 4.760 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 1146220 IUDAOFBRJNKCCZ-UHFFFAOYSA-N 379.287 4.920 0 50 GJAA CC[C@@H](C)c1ccc(NC(=O)c2cc(Br)ccc2OC)c(O)c1 1170600 KQLZPGBZUVPYKJ-LLVKDONJSA-N 378.266 4.929 0 50 GJAA CCCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccncc1 2101682 CKHQRLYXVRNRSZ-UHFFFAOYSA-N 380.469 4.938 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 2915859 VPOPETLAHVFUDN-SFHVURJKSA-N 380.473 4.640 0 50 GJAA CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1(C)C 4686566 TVEOZJWCZLSVEY-VXKWHMMOSA-N 390.527 4.836 0 50 GJAA Cc1ccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)cc1 6738891 UYRBJKVFLYBENR-UHFFFAOYSA-N 379.467 4.908 0 50 GJAA Nc1cc(C(F)(F)F)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl 20246672 XIQLRNWPEGTPPT-UHFFFAOYSA-N 398.738 4.879 0 50 GJAA CC(C)CC(=O)C[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 44126707 OHYZKVRPGYYMCC-SFHVURJKSA-N 393.874 4.990 0 50 GJAA CCCSc1ccccc1N1CCN(CCC[C@@H](O)c2ccccc2)CC1 96026827 ZZGBHSVGMXXTPX-JOCHJYFZSA-N 384.589 4.825 0 50 GJAA CCc1c(C(=O)Nc2cccc(-c3ccccc3OC)c2)cnn1-c1ccccn1 110924555 AIFVXPHMEBOWAR-UHFFFAOYSA-N 398.466 4.758 0 50 GJAA Cc1cc(C)cc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c1 169755780 XHHVJZRKUVKXLL-AWEZNQCLSA-N 385.826 4.666 0 50 GJAA Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1 184286573 APTRMMUSHYORNA-OAHLLOKOSA-N 397.866 4.505 0 50 GJAA O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(-c2nc3ccccc3s2)o1 225611746 AKJCGUPHBAOSRR-UHFFFAOYSA-N 389.436 4.545 0 50 GJAA COc1cccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=N)n2C)c1 334157501 CWVFMNNMMRFUNB-UHFFFAOYSA-N 397.478 4.532 0 50 GJAA CCCc1ccc(N2C[C@H](c3nc(-c4cccc5cnccc45)no3)CC2=O)cc1 761970287 NOUVNBZQWFVLME-GOSISDBHSA-N 398.466 4.758 0 50 GJAA C[C@H](NC(=O)N[C@@H]1COc2cccc(F)c21)c1ccc(Oc2cccnc2)cc1 1875258262 XCNDRFMHLJAHLN-IFXJQAMLSA-N 393.418 4.507 0 50 GJAA Cc1ccc(Cn2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cn2)cc1 654366 CDYIYFOSUCACOR-UHFFFAOYSA-N 397.544 4.583 0 50 GJAA CCc1cc(C(N)=O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)s1 690049 QSAWHOPCKGJNIB-UHFFFAOYSA-N 392.480 4.770 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccccc2)cc1 752924 ZTLNOKXJDVWHOR-UHFFFAOYSA-N 384.435 4.905 0 50 GJAA CC(C)(C)c1ccc(S(=O)(=O)CCSc2nc3ccccc3o2)cc1 1141429 YTOQPUPVQBFYET-UHFFFAOYSA-N 375.515 4.691 0 50 GJAA O=C(NC1CCCCCC1)c1ccn(COc2c(Cl)cccc2Cl)n1 2794416 OAPPPUKCCZJKSQ-UHFFFAOYSA-N 382.291 4.679 0 50 GJAA CN(Cc1cc2ccccc2s1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 14992445 HIHZINYMCCFNEJ-HXUWFJFHSA-N 378.541 4.914 0 50 GJAA CC(C)[C@@H](O)c1ccc2c(c1)CN(Cc1cnc(-c3ccccc3)s1)CCO2 55073579 UUMUFBCLGASFOD-JOCHJYFZSA-N 394.540 4.894 0 50 GJAA Cc1oc(-c2ccc(F)cc2)nc1CN1CCN(c2cccc(Cl)c2)CC1 55568653 KQDFUJVGFLQQFI-UHFFFAOYSA-N 385.870 4.765 0 50 GJAA Cc1ccc(-c2nc(N(C)Cc3ccncc3C)ncc2-c2cccnc2)cc1 65419649 UIWPAJLAMNDYIB-UHFFFAOYSA-N 381.483 4.854 0 50 GJAA CCCCCn1c(=O)c(C(=O)Nc2ccc(C)cc2C)c(O)c2ccccc21 100450358 HKJIXXULICYKEF-UHFFFAOYSA-N 378.472 4.766 0 50 GJAA O=C(Nc1ccccc1N1CCOC1=O)c1cncc(-c2ccc(Cl)cc2)c1 126393728 PBHROCDSLSCHGY-UHFFFAOYSA-N 393.830 4.611 0 50 GJAA Cc1nc(C(C)(C)NC(=O)Nc2ccc(F)cc2C(F)(F)F)sc1C 150853811 IXSGDCUFCAZVAA-UHFFFAOYSA-N 375.391 4.975 0 50 GJAA CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 252461150 KZRHTEGJCHXUCF-UFYCRDLUSA-N 397.563 4.534 0 50 GJAA Cc1coc(C)c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 786013316 BUHRPLMIBQAGGG-UHFFFAOYSA-N 394.858 4.891 0 50 GJAA CN(C1CC(c2ccc(Cl)s2)C1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 2325828349 FDBSPQNKSSKTGK-NSRCDFIJSA-N 392.927 4.738 0 50 GJAA COc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC 1097584 YYXRVOBGAKJLIL-ZDUSSCGKSA-N 390.277 4.557 0 50 GJAA O[C@@H](CNc1ccc(Cl)cc1)COc1ccc(OCc2ccccc2)cc1 1145418 CVWXVENXFLQGQN-FQEVSTJZSA-N 383.875 4.771 0 50 GJAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc12 2783647 PSMPNTZYGKVNHN-UHFFFAOYSA-N 386.185 4.817 0 50 GJAA O=C(N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 3142263 WGQHDCNWYLCHCD-MRXNPFEDSA-N 383.662 4.971 0 50 GJAA CNc1ncc(-c2ccc3cc(Br)cc(Br)c3n2)s1 4051041 IFLOSWFHAPCDDD-UHFFFAOYSA-N 399.111 4.925 0 50 GJAA CC(C)(C)c1cc(S(=O)(=O)CCc2ccncc2)cc(C(C)(C)C)c1F 5127586 RVVWSJOSXUPLOZ-UHFFFAOYSA-N 377.525 4.832 0 50 GJAA CCc1ccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)cc1 8613010 DWWYDIBCINKRQF-UHFFFAOYSA-N 390.365 4.675 0 50 GJAA COc1cc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)ccc1O 12300904 MFUXLTPHNGYNQQ-LJQANCHMSA-N 375.468 4.649 0 50 GJAA COC(=O)c1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cc1 20919867 MIIJDPRDTGZRTP-OAQYLSRUSA-N 389.499 4.551 0 50 GJAA Cc1ccc(-c2cncnc2[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 20999383 UCQONVZCKNDKTD-LJQANCHMSA-N 383.499 4.708 0 50 GJAA CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(N)c2ccc(Cl)cc2n1 59433876 CBVHBVZEUFLJQV-UHFFFAOYSA-N 380.801 4.516 0 50 GJAA Cc1ccc2nccc(N3CCC[C@@H](c4nccn4Cc4ccncc4)C3)c2c1 95528699 SBBAXENZPJVIOW-HXUWFJFHSA-N 383.499 4.567 0 50 GJAA COc1ccc2c(c1)CN(C(=O)Cc1ccc(Cl)cn1)[C@H](c1ccccc1)C2 786335409 VXPRJUBFOGRGGC-QFIPXVFZSA-N 392.886 4.612 0 50 GJAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 2325871341 IQSWCJVQBWAPDK-FQEVSTJZSA-N 390.874 4.671 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1161192 RTRJPTPOHFFQOL-UHFFFAOYSA-N 385.423 4.730 0 50 GJAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 1175955 ZAIYAXPKDFKUBR-UHFFFAOYSA-N 381.545 4.927 0 50 GJAA COC(=O)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 1183138 HBWDUNBXFRZWES-HXUWFJFHSA-N 377.465 4.945 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H]3CCCCC3=O)ccc12 4027683 ICEISICUERNBOJ-QFIPXVFZSA-N 376.452 4.891 0 50 GJAA biogenic CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1 11933157 WAOBIZUHEKXKLE-SFHVURJKSA-N 388.914 4.506 0 50 GJAA c1ccc(Cc2cn[nH]c2C2CCN(Cc3cccn3-c3ccccn3)CC2)cc1 12078824 UELYTGQATRTNJJ-UHFFFAOYSA-N 397.526 4.566 0 50 GJAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@H](c4ccccc4)CC3)cc2)o1 95505066 OGLTUGKOCWSFIG-SFHVURJKSA-N 376.460 4.847 0 50 GJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](n1c(=O)n3n(c1=O)C1C4=CC3C=C1CCCCCC4)C2 101092995 IJZKVGUQGDEYII-QJTAIZRGSA-N 395.547 4.515 0 50 GJAA Cc1cnc(C2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CC2)s1 225463819 QZGSKYVFYWDXAT-LBPRGKRZSA-N 399.343 4.932 0 50 GJAA Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 263617633 OUMXJJUOOVVTTJ-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA O=C1CCc2cc(F)c(NC(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)cc2N1 481622568 GDEIONSFXDEYKH-AWEZNQCLSA-N 399.441 4.651 0 50 GJAA CCn1nc(-c2cccc(F)c2)nc1[C@H]1CCCN(Cc2scnc2C)CC1 1857702614 PCXQKLFNNSSGSM-INIZCTEOSA-N 399.539 4.639 0 50 GJAA COc1ccc(C2(CNC(=O)/C=C/c3ccc(Cl)cc3)CCCC2)cc1OC 824040 OBQGALDDBHQQEM-KPKJPENVSA-N 399.918 4.999 0 50 GJAA CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2nc3ccccc3o2)cc1 1072014 GLRIOZVRDWYPQD-KRWDZBQOSA-N 384.457 4.514 0 50 GJAA Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)o2)cc1 1160605 WBLBIROGJYQCRL-QGOAFFKASA-N 376.437 4.837 0 50 GJAA Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(F)cc2)cc1 1185331 FBCKUZYUFVWIBZ-UHFFFAOYSA-N 396.425 4.686 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CCCC3)c1 1216358 HHXNTJDFJZSLQF-UHFFFAOYSA-N 391.496 4.835 0 50 GJAA COc1ccc(O[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233927 DNLADCVCDRUDMH-CQSZACIVSA-N 389.666 4.592 0 50 GJAA O=C(Nc1nnc(CC(c2ccccc2)c2ccccc2)s1)c1ccco1 2845204 JXGKYNLZYPSSRY-UHFFFAOYSA-N 375.453 4.758 0 50 GJAA aggregator COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 5094682 OCIQOIKYQNVNEG-IZZDOVSWSA-N 396.830 4.846 0 50 GJAA CCOC(=O)c1cnc(Nc2nc3ccccc3s2)nc1-c1ccccc1 9108853 VPNYCQNNYNXZKK-UHFFFAOYSA-N 376.441 4.674 0 50 GJAA CC(C)OCCCNC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 12074723 QGIDABPRJBOVOE-UHFFFAOYSA-N 380.488 4.548 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C)c2)C1 19840178 YTNBLCJKFIARRJ-LJQANCHMSA-N 391.515 4.782 0 50 GJAA CC(C)c1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1 20604027 GYXSTUCVIZLZLG-UHFFFAOYSA-N 379.407 4.800 0 50 GJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(Cl)c(OC)cc1OC 33270622 BYKCIMBGEWATJQ-CQSZACIVSA-N 393.871 4.585 0 50 GJAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4occc4c2)C3)cc1 95365475 GUHLHTGGOVXCDW-RBBKRZOGSA-N 376.500 4.538 0 50 GJAA CN(CCCn1cccn1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 95512834 HNXAATMSCJYTRK-OAQYLSRUSA-N 381.907 4.607 0 50 GJAA O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1occc1-c1ccccc1 154438616 OOIRKXAVXFFBJO-UHFFFAOYSA-N 398.344 4.798 0 50 GJAA COc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)n2)cc1 248176628 ASEXFLDCJZRTEU-KMKNWIINSA-N 395.547 4.872 0 50 GJAA CC1(C)CCc2ccccc2[C@H](NC(=O)NCc2cc(O)nc3ccccc23)C1 442099176 RRVPIQWIQUQQSL-OAQYLSRUSA-N 389.499 4.843 0 50 GJAA O=C1C[C@@H](c2nc(-c3cccc(C(F)F)c3)no2)CN1c1ccc2c(c1)CCC2 771513004 FENXHVLTHYMLGP-QGZVFWFLSA-N 395.409 4.683 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@@]4(C3)CC4(F)F)cccc2c1=O 845017964 XYNQDPWCVGCJQW-QFIPXVFZSA-N 395.405 4.640 0 50 GJAA COc1ccccc1C[C@@H](C)N(C)c1nc2ccc(Br)cc2o1 1875362698 PLBGWMULTLSPIA-GFCCVEGCSA-N 375.266 4.666 0 50 GJAA CCc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 1072451 JZCUYPSUXPCIMV-CYBMUJFWSA-N 377.271 4.547 0 50 GJAA CC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl 2322987 CNYNKHLPLRDOFL-SECBINFHSA-N 384.012 4.603 0 50 GJAA COC(=O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2C)c1 4842348 YHNJAEDNTNRLMS-UHFFFAOYSA-N 375.424 4.613 0 50 GJAA Clc1cccc(CN2CCC(n3c([C@H]4CCCO4)nc4cccnc43)CC2)c1 12243908 KENHVOOPWVAKHZ-HXUWFJFHSA-N 396.922 4.773 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1CCc1ccccc1 12449132 LNIQBTLRDWUHSH-QFIPXVFZSA-N 387.483 4.520 0 50 GJAA O=C(/C=C\c1ccccc1)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl 25691130 ASUUWJZQXZZQMW-FJVVXJACSA-N 387.719 4.700 0 50 GJAA Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2Cc2nnc3ccccn23)c1 91550566 HKDGHCVJVKZYPV-UHFFFAOYSA-N 383.430 4.756 0 50 GJAA Clc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2ncnn21 100716879 DSKPLSLUSGDKMD-INIZCTEOSA-N 387.668 4.750 0 50 GJAA C[C@H]1CN(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC[C@H]1c1ccccc1 152906650 ARTHSWBIVYTCEQ-LAUBAEHRSA-N 388.471 4.926 0 50 GJAA CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 195529484 CHKIYNDAMSPSOR-TVNOUSRMSA-N 386.586 4.935 0 50 GJAA Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]3CCCC[C@H]32)c1=S 229975439 MAARNTFVOZJWMX-RHSMWYFYSA-N 376.957 4.884 0 50 GJAA CCOc1cccc2cc([C@H](C)NC(=O)c3cnc(O)c4ccccc34)oc12 253536851 GJRXEHXCIDTAET-ZDUSSCGKSA-N 376.412 4.576 0 50 GJAA O=C(Nc1ccc(Oc2ccncc2)cc1)c1cnn(-c2ccc(Cl)cc2)c1 303001055 HMWHJKFDBNXFOB-UHFFFAOYSA-N 390.830 4.965 0 50 GJAA Cc1nc(CC2CC2)sc1C(=O)N1CCC([C@H]2C(O)=Nc3ccccc32)CC1 330014072 MSIURRNUEMXWHP-LJQANCHMSA-N 395.528 4.642 0 50 GJAA Cc1c(C(=O)Nc2ccc(C3CCC3)cc2)nnn1-c1cccc2cnccc12 487682071 YMMCSHGELOZSFT-UHFFFAOYSA-N 383.455 4.644 0 50 GJAA FC(F)(F)Oc1ccccc1-c1noc(C2=NO[C@H](c3ccccc3)C2)n1 761582540 ZWCYGZVCUIKIBU-HNNXBMFYSA-N 375.306 4.501 0 50 GJAA CCOc1cc(CN2C[C@H]3CCC[C@](O)(CC)[C@H]3C2)cc(Cl)c1OCC 1704297950 YTOUTBCZUIQUHS-LLGFUMIMSA-N 381.944 4.510 0 50 GJAA O=C(Nc1cccc([C@@H](O)CC(F)(F)F)c1)C1(c2ccccc2)CC(F)(F)C1 1875274524 FWBKLSXCHKBFJS-INIZCTEOSA-N 399.359 4.978 0 50 GJAA CN(C(=O)c1cc2ccccc2cc1OC[C@H]1C[N@@]1CC1CC1)c1ccccc1 1875382233 VQHNGURECRZOEN-AJTFRIOCSA-N 386.495 4.589 0 50 GJAA COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1Cl 1140583 AEKQGQZMSUKLFK-UHFFFAOYSA-N 398.821 4.992 0 50 GJAA CCc1ccc2nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[nH]3)nc(C)c2c1 1459774 YWWKZSVADDXBKG-UHFFFAOYSA-N 399.498 4.535 0 50 GJAA Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccc2c(c1)OCO2 2762877 JMVRMNROGBVBFQ-UHFFFAOYSA-N 399.450 4.682 0 50 GJAA O=C(NC1CCCCCC1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2798960 KAOONIFYNDGCOK-UHFFFAOYSA-N 385.357 4.868 0 50 GJAA CCOC(=O)c1c(C)n(CCOCc2ccccc2Cl)c2ccc(O)cc12 2838852 TZMPGLZBOXVKBD-UHFFFAOYSA-N 387.863 4.702 0 50 GJAA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1 2877367 NFFNXXHLGUQVBB-UHFFFAOYSA-N 399.903 4.813 0 50 GJAA CCCCSc1nnc(NC(=O)CSc2ccc3ccccc3n2)s1 4593421 VSNHHOKSWJGRLA-UHFFFAOYSA-N 390.559 4.709 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2ccccc2Cl)cc1 5061398 OBLYWZFTZIJZJG-DEDYPNTBSA-N 394.858 4.959 0 50 GJAA O=C(Nc1ccc(-c2noc(-c3cccnc3)n2)cc1)c1cccc(Cl)c1 6701656 CIBPNXHLYSKOQB-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 11788509 AASVMVMETAWPCN-NRFANRHFSA-N 386.967 4.949 0 50 GJAA CC[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccc(F)cc1 11874820 VEDHEDJVVHXMIV-QGZVFWFLSA-N 390.361 4.552 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3C3CCSCC3)cc2)c1 11948334 GYIIRFWZWTUOSA-JOCHJYFZSA-N 396.556 4.661 0 50 GJAA CC(=O)c1cccc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)c1 12049161 ZJQFJWANBUBFEM-RUZDIDTESA-N 398.591 4.525 0 50 GJAA COC[C@@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 12093357 XXHJQUJABQDDKI-LJQANCHMSA-N 393.506 4.845 0 50 GJAA CC(C)=CCN1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 12438785 STVWNDHLNONVQT-UHFFFAOYSA-N 378.944 4.678 0 50 GJAA CN(C(=O)c1coc(COc2cccc(F)c2)n1)[C@@H]1CCCc2ccccc21 15074485 KLWKYXDXSLHVPE-HXUWFJFHSA-N 380.419 4.542 0 50 GJAA Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)nn1C1CCCC1 20608210 LAFCQBIEWNQSJY-UHFFFAOYSA-N 397.426 4.526 0 50 GJAA COc1ccc(OC)c2c(C)cc(N3CCN(c4cc(C)ccc4C)CC3)nc12 55422186 UUXQOAHQMAMTPZ-UHFFFAOYSA-N 391.515 4.504 0 50 GJAA CCN(Cc1cccnc1)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12 63847753 VQZGHFIXIVXVBI-UHFFFAOYSA-N 399.498 4.737 0 50 GJAA CCC1=NO[C@H](Cn2cnc(-c3ccccc3)c2-c2ccc(F)cc2OC)C1 65371127 LNPPWOPRXDEMBM-SFHVURJKSA-N 379.435 4.920 0 50 GJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cccs1 67982575 FADWYORSWMLMCC-UHFFFAOYSA-N 378.375 4.884 0 50 GJAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)C2)cc1 91451955 RGRDWLRRMSXQDR-IBGZPJMESA-N 389.499 4.625 0 50 GJAA C[C@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2cccc(Cl)c2)o1 121451830 WPOOJKWPQSNEHF-LBPRGKRZSA-N 383.864 4.824 0 50 GJAA CC(F)(F)c1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 189384038 QCFHVMXQHLBMBZ-UHFFFAOYSA-N 385.414 4.795 0 50 GJAA CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@](C)(C3SCCS3)C[C@@H]12 252427795 GEFRKHXTFACOQE-NLKQXVMISA-N 398.634 4.718 0 50 GJAA O=C(Nc1ncc(C2CCOCC2)s1)N1CC2(CCC2)[C@@H]1c1ccccc1 297328610 MKUNUDZTOCXFNY-SFHVURJKSA-N 383.517 4.796 0 50 GJAA CCN(CC)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 2024781 XVPVASDNIQXXGZ-UHFFFAOYSA-N 378.516 4.805 0 50 GJAA biogenic Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C3 4735816 NVJXMFRUVMWBGN-UHFFFAOYSA-N 383.469 4.697 0 50 GJAA Fc1ccc(CSCc2nnc(S)n2Cc2ccc(Cl)cc2)cc1 6829098 ZWBADQSSMLCAPA-UHFFFAOYSA-N 379.913 4.841 0 50 GJAA O=C(CCC1CCN(C(=O)[C@@H]2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1 12475131 YNLJRPWGUIEAGS-INIZCTEOSA-N 392.902 4.627 0 50 GJAA Clc1ccccc1OC1CCN(Cc2nc(CCc3ccccc3)no2)CC1 12575053 HJUVEQYULNSTHP-UHFFFAOYSA-N 397.906 4.552 0 50 GJAA c1ccc(CN2CCC(N3CCN(Cc4cccc5ccccc45)CC3)CC2)cc1 19889548 JXSXUQZVIBCIDH-UHFFFAOYSA-N 399.582 4.622 0 50 GJAA CCn1c2ccccc2c2cc(CN3CCN(Cc4cccnc4)CC3)ccc21 19891585 YBYYUVCNKAITEO-UHFFFAOYSA-N 384.527 4.527 0 50 GJAA CCCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3cccc(C)c3n2)cn1 63872171 BUMROEJZLHESGG-KRWDZBQOSA-N 376.504 4.831 0 50 GJAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@@H](C(F)(F)F)C1 71524554 QVHREZGPROQTMM-CYBMUJFWSA-N 395.208 4.720 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC(CO)CC1 72481243 APVRXEZXSHMFJA-UHFFFAOYSA-N 396.918 4.768 0 50 GJAA NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)c2ccccc21 119627010 QFRRNXFUGOKDGO-INIZCTEOSA-N 396.899 4.688 0 50 GJAA Cc1ccc(NCc2ccc(-c3cccc(F)c3C)o2)cc1N1C(=O)CCC1=O 129774700 WRDRDNHKBQNZLH-UHFFFAOYSA-N 392.430 4.968 0 50 GJAA O=S(=O)(NC[C@H]1C[C@@H]1c1cccs1)c1cc(Cl)c(Cl)cc1Cl 1857799326 WTZXEECPWKTGNO-BDAKNGLRSA-N 396.748 4.790 0 50 GJAA CCOc1cc(-c2ocnc2Cc2ccccc2)ccc1OCCn1ccnc1 2356153605 NTFYCPXSTBZCEU-UHFFFAOYSA-N 389.455 4.607 0 50 GJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1 678991 LSQLKRIOZRHWCV-UHFFFAOYSA-N 375.925 4.621 0 50 GJAA CC(=O)c1ccc(N2C(=O)c3cccc4cc(Br)cc(c34)C2=O)cc1 686957 FNBZIOZIQLJVHO-UHFFFAOYSA-N 394.224 4.606 0 50 GJAA Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 1063391 XMRMBLLRVOEHCU-HZPDHXFCSA-N 390.821 4.988 0 50 GJAA O[C@@H](COc1cccc2ccccc12)Cn1c(C(F)(F)F)nc2ccccc21 1153246 LUMBOCVPJHRQMQ-OAHLLOKOSA-N 386.373 4.648 0 50 GJAA CCOC(=O)[C@H]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 3204544 SSMJXCGMOMMLTE-JTQLQIEISA-N 386.300 4.623 0 50 GJAA Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1 5577157 LHEOFGBKERIXQQ-ZIAGYGMSSA-N 378.881 4.601 0 50 GJAA O=C(Nc1ccnn1C1CCN(C[C@H]2CC=CCC2)CC1)c1ccccc1Cl 11842915 PMXJASGICOGFEV-KRWDZBQOSA-N 398.938 4.782 0 50 GJAA C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)[C@H]1CCCO1 12383291 GBMVZTMAEXVOCC-LDYMZIIASA-N 388.714 4.615 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)Cc1ccc2nccnc2c1 55182808 PKJYRMCUFWIDKI-UHFFFAOYSA-N 378.863 4.879 0 50 GJAA Cc1nc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)co1 67786969 AAYGGRQCYCHGDA-UHFFFAOYSA-N 392.480 4.965 0 50 GJAA CCn1cc(CN2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)cn1 67872412 LDYABKITCYCJHP-UHFFFAOYSA-N 383.499 4.518 0 50 GJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H](c4nccn4C(C)C)C3)[nH]c12 95356260 ZLMDCHMBIHFPGB-SFHVURJKSA-N 378.520 4.890 0 50 GJAA COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)/C2=C\Nc1ccc(C)cc1 100337149 JWMIYNWFRBHJPY-HAHDFKILSA-N 398.462 4.639 0 50 GJAA Cc1ccc(-c2ccc3c(N)c(C(=O)N4C[C@@H](C)C[C@@H](C)C4)sc3n2)cc1 167255843 FFYWQIOZKCMNJI-GASCZTMLSA-N 379.529 4.972 0 50 GJAA C[C@@H]1CC[C@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 170608147 LEKUIOBLMBPCSS-SJLPKXTDSA-N 399.585 4.833 0 50 GJAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC[C@H](c2ccncc2)C1 328592043 QLEDHHDTXBUSJO-INIZCTEOSA-N 393.314 4.954 0 50 GJAA C[C@H](NC(=O)NC[C@H](C)N(C)c1ccccc1)c1ccc(-c2ccncc2)cc1 470503072 CYUDPPNJEZCCJK-OALUTQOASA-N 388.515 4.634 0 50 GJAA O=C(Nc1cccc([C@H](O)CC(F)(F)F)c1)C1(c2ccccc2)CC(F)(F)C1 1875274525 FWBKLSXCHKBFJS-MRXNPFEDSA-N 399.359 4.978 0 50 GJAA COc1ccc([C@@H](CC(=O)N2C[C@@H]3C[C@]3(c3ccc(C)cc3)C2)C(F)F)cc1 2325782999 SEQIXFGATKNYRZ-JXHRLWIKSA-N 385.454 4.543 0 50 GJAA CC1(C)C[C@@H](NC(=O)C2CCCCC2)C[C@](C)(CNC(=O)C2CCCCC2)C1 669164 FGHZXDKIKAURBN-YKSBVNFPSA-N 390.612 4.964 0 50 GJAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(Cl)ccc1OC 676261 RGLJXLYIUXDVAC-UHFFFAOYSA-N 381.881 4.963 0 50 GJAA Cc1c(C)c(C)c(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)c(C)c1C 1203147 CWHXJPOTIZBSSN-UHFFFAOYSA-N 379.287 4.887 0 50 GJAA COC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 2736136 OWYVRUWHMOAZKH-AWEZNQCLSA-N 395.480 4.947 0 50 GJAA O=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 5545726 ILEAEUHAYROCCJ-UHFFFAOYSA-N 375.859 4.668 0 50 GJAA COc1ccc(C(=O)C[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 5554980 UQDRPFASTDSHHS-HXUWFJFHSA-N 386.494 4.545 0 50 GJAA CN(C)c1ccccc1C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 11660997 XFTGZOIRMLTALR-NRFANRHFSA-N 386.495 4.641 0 50 GJAA CCCn1ncc(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)c1C 12073138 XYLSHIOHKFKHCY-UHFFFAOYSA-N 382.552 4.541 0 50 GJAA COc1ccc(NC(=O)c2ccccc2Cl)cc1NC(=O)c1ccccc1 13956496 CFXASTCYCVSGFO-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(c1ccc(Cl)s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20166331 YWTBQFSWCPVODW-UHFFFAOYSA-N 396.943 4.949 0 50 GJAA CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 20615610 AGDVQRVRXYAVRH-UHFFFAOYSA-N 397.784 4.642 0 50 GJAA Cc1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)n(C2CCCC2)n1 20617508 USXICQCVOZDCCC-UHFFFAOYSA-N 394.475 4.743 0 50 GJAA O=C(C1CCCC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67458220 YVTVGXDQKNOFRF-UHFFFAOYSA-N 394.496 4.580 0 50 GJAA O=C(c1conc1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 91846873 BPCCONYYELIINZ-QGZVFWFLSA-N 375.453 4.929 0 50 GJAA CC(C)n1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cn1 263587441 GXUZXEMZVRWILT-LJQANCHMSA-N 384.483 4.941 0 50 GJAA CC(=O)c1cn([C@H](C)C(=O)Nc2cccc(CN3CCCC3)c2)c2ccccc12 952985523 BXBUBYOJQJQOMA-QGZVFWFLSA-N 389.499 4.639 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3nccc4ccccc34)C1)CC2 1857692734 RJAYSRMZWGVANK-DEOSSOPVSA-N 388.515 4.512 0 50 GJAA COc1ccc(-c2ccc(-c3nccn3[C@H]3CCOC4(CCOCC4)C3)o2)cc1 1857728772 COWIFALEGAEUFN-SFHVURJKSA-N 394.471 4.719 0 50 GJAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCCCC12CC2 1857733723 WFCGESIVPCKVSC-OAHLLOKOSA-N 387.911 4.633 0 50 GJAA O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 892321 GSOBCMZGYLAROR-UHFFFAOYSA-N 377.315 4.887 0 50 GJAA COc1cc(NC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)cc1Cl 946940 KFXBMJFLHISLDN-UHFFFAOYSA-N 377.868 4.807 0 50 GJAA COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 2843114 AGMVEWYAVGTVSV-SJORKVTESA-N 375.259 4.740 0 50 GJAA FC(F)Oc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 2919724 SMJNKOAUOJTHOP-GJZGRUSLSA-N 376.794 4.679 0 50 GJAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccc(Cl)c2)on1 4881064 JOBDJKSECTUUJC-UHFFFAOYSA-N 396.809 4.631 0 50 GJAA CN(Cc1ncc[nH]1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 11935464 TWTBMHLYOZVUHB-UHFFFAOYSA-N 397.482 4.700 0 50 GJAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12581228 MFPIENBHWTWBOI-HXUWFJFHSA-N 392.499 4.644 0 50 GJAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCC(N2CCCC2)CC1 15068076 RVSIZOPNYSEJKE-JOCHJYFZSA-N 396.962 4.949 0 50 GJAA O=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1ccc(Cl)cc1Cl 18194880 FNVLDBMFCDKPDS-UHFFFAOYSA-N 397.645 4.553 0 50 GJAA COc1ccccc1-c1cc2c(c(OC)c1)OCCN(C[C@@H]1CC=CCC1)C2 20293883 VQVUEBNQTMLSJK-GOSISDBHSA-N 379.500 4.922 0 50 GJAA Oc1cc(-c2cccnc2)cc2c1OCCN(C/C(Cl)=C/c1ccccc1)C2 20914969 ZBRVRNRWSIAYKK-NHDPSOOVSA-N 392.886 4.929 0 50 GJAA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 54991740 NXOPRQUIKXFMJJ-LJQANCHMSA-N 390.449 4.576 0 50 GJAA C/C(I)=C/C[C@H]1C(=O)O[C@@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@@H]1[C@@H]23 71786580 QNMYWQVKNZFFDE-DJHTULLBSA-N 398.284 4.639 0 50 GJAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)C2)cc1 91451956 RGRDWLRRMSXQDR-LJQANCHMSA-N 389.499 4.625 0 50 GJAA Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)c2ccccc2n1 95531217 UKALLDPXKDRUMI-UHFFFAOYSA-N 383.499 4.567 0 50 GJAA Cc1cnc(C2CCN(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)CC2)s1 277629514 MXFCTMMLEDIDAF-OAHLLOKOSA-N 396.516 4.757 0 50 GJAA O=C(NCCc1cccc(O)c1)c1ccc(-c2ccccc2C(F)(F)F)o1 1445971258 FHJAXPAFBACVJR-UHFFFAOYSA-N 375.346 4.644 0 50 GJAA NC[C@H](CC(=O)Nc1ccc2ccsc2c1)c1ccc(Br)s1 2325861690 XUJDBLUGXOLKEN-NSHDSACASA-N 395.347 4.796 0 50 GJAA O=Cc1scc(Br)c1-c1c(Br)csc1C=O 690358 ZOXZTSONCNZENF-UHFFFAOYSA-N 380.082 4.627 0 50 GJAA O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780466 AHSGHVAEUNXQJX-UHFFFAOYSA-N 392.886 4.984 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)cc1 992927 VIQROJGJXVUZTP-UHFFFAOYSA-N 395.842 4.958 0 50 GJAA COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc(C)cc2)cc1 1000121 KWRKHQIZMYNVDN-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccccc1F 2084268 OHQPFBJMHXPUAA-MOSHPQCFSA-N 391.373 4.888 0 50 GJAA CC(C)(C)N(Cc1ccccc1)C(=O)C(=O)N(Cc1ccccc1)C(C)(C)C 2165389 NLVXCXKAWXFWRQ-UHFFFAOYSA-N 380.532 4.641 0 50 GJAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 2851605 NJXTZBYREJNPPW-UHFFFAOYSA-N 375.266 4.830 0 50 GJAA COc1cc(C=O)ccc1OCCCCOc1ccc(Br)cc1 2985870 CFEAICKKZLLJGD-UHFFFAOYSA-N 379.250 4.508 0 50 GJAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 4808924 SXDIGIGUSCLQJG-UHFFFAOYSA-N 390.439 4.599 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)sc3C)c(C)o2)cc1 12050205 SDAKHGQXOGSGQI-LBPRGKRZSA-N 399.516 4.703 0 50 GJAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 12493582 CVNYHSDFZXHMMJ-VPUMZWJWSA-N 390.564 4.686 0 50 GJAA endogenous,in-man Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)no2)cc1C 32622961 YVJYOVKMGLLYAP-FQEVSTJZSA-N 393.487 4.508 0 50 GJAA Cc1ncsc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71440081 WBRABRSARYXYSS-AWEZNQCLSA-N 382.451 4.955 0 50 GJAA CN(Cc1ncc[nH]1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 72480260 GPMYAYZXEZSIJK-UHFFFAOYSA-N 395.869 4.687 0 50 GJAA CC(=O)N1C[C@H](CCC(=O)N2CCCC3(CCCCCC3)C2)c2ccccc21 170596712 XFVRKEFYUQHCLU-FQEVSTJZSA-N 382.548 4.880 0 50 GJAA CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F 170603731 YRBKZQFNGXPTPX-FPOVZHCZSA-N 393.449 4.912 0 50 GJAA CC(C)(C(=O)O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 486306532 YHGIFEUQYUNUQZ-UHFFFAOYSA-N 376.456 4.615 0 50 GJAA Cc1ccc(Cn2nc(C)c(CNc3ccc4c(c3)COC(=O)N4)c2C)cc1 858243252 DJFHFVXCKDOYOS-UHFFFAOYSA-N 376.460 4.531 0 50 GJAA O=C(NC[C@H]1CCCN(C/C=C/c2ccccc2)C1)c1ccc(Cl)cc1F 1506420560 IWYORZSTLDFUKO-SBLNNXNXSA-N 386.898 4.634 0 50 GJAA O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1 1775955057 MYPPFEYUZFAZCP-MRXNPFEDSA-N 391.467 4.655 0 50 GJAA CCc1nc(-c2ncccn2)sc1C(=O)N(Cc1cccc(Cl)c1)C1CC1 1857708829 PLTVXFWHMYGMSU-UHFFFAOYSA-N 398.919 4.621 0 50 GJAA O=C(c1cccc(-c2nnco2)c1)N1CCc2sccc2[C@H]1c1ccccc1 1875258128 XMOJNTLUXIRERB-HXUWFJFHSA-N 387.464 4.586 0 50 GJAA O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc2cc(Br)ccc2[nH]1 1875311452 ZLKXMLGFLBAIOX-VQIMIIECSA-N 399.288 4.581 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@H](C)C(=O)OCC)cc12 1168206 WSSZCYCBAKWOFG-CQSZACIVSA-N 382.412 4.607 0 50 GJAA biogenic CCOc1ccc(-c2cn3c4ccccc4n(CCN(CC)CC)c3n2)cc1 4786104 OXUCLTDEPRIMHY-UHFFFAOYSA-N 376.504 4.697 0 50 GJAA CCCSc1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1 4811192 QFFWUPDHFGMRTK-UHFFFAOYSA-N 386.702 4.647 0 50 GJAA COc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1 6899796 VPCNQHTYLQLPOS-UHFFFAOYSA-N 379.851 4.838 0 50 GJAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)C2=CCCC2)C3)c1 12166019 NGVHRZLAXZCLQB-LJQANCHMSA-N 393.458 4.534 0 50 GJAA COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 16663612 PIKXXAGAQPBKRE-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)no1 35476315 JHGVGPNPZOVHFF-GOSISDBHSA-N 382.847 4.981 0 50 GJAA COc1cccc(F)c1-c1c(-c2ccccc2)ncn1[C@H](C)c1cnn(C)c1 65455046 ONLRVEZRKCHVLO-OAHLLOKOSA-N 376.435 4.708 0 50 GJAA Cc1cc(C)nc(SCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)n1 109570766 YGUHDBNHFFCTPZ-UHFFFAOYSA-N 391.456 4.623 0 50 GJAA O=C1Nc2ccccc2S[C@H]1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 129216657 NPEYPASVYAONLM-FPOVZHCZSA-N 392.524 4.558 0 50 GJAA COc1cccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)c(Cl)nc12 170612427 DFZKZKMSJFMVGF-GOSISDBHSA-N 397.837 4.734 0 50 GJAA O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ncoc1[C@H]1CCCO1 170627202 IRQUWILXOLIBLR-QGZVFWFLSA-N 388.895 4.811 0 50 GJAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 287640541 GFNHONXQWQEBLW-ZDUSSCGKSA-N 398.482 4.605 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4)no3)cn2)c1 824787685 FASDPRMQDFHUFL-UHFFFAOYSA-N 387.395 4.790 0 50 GJAA CSc1ccc(CN2CCC(CNC(=O)c3ccccc3Cl)CC2)cc1 824936701 WBLUCZJZWMUPEI-UHFFFAOYSA-N 388.964 4.704 0 50 GJAA CC(C)(C)C(C)(C)CNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 1477663893 XLMRTIJTJLOWNF-UHFFFAOYSA-N 378.520 4.897 0 50 GJAA c1ccc(-c2[nH]c3ccccc3c2C2CCN(CC3COCCOC3)CC2)cc1 1857707193 HWCCCKGMVDBOFK-UHFFFAOYSA-N 390.527 4.677 0 50 GJAA Cc1nc(C)c(C(=O)Nc2ncc3c(n2)-c2cc(Cl)ccc2S[C@H]3C)o1 2100557626 XBSLKBBUEXLTDS-VIFPVBQESA-N 386.864 4.821 0 50 GJAA Cc1cccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2Br)c1C 2325841974 LDWPRJIEHNKYRB-SJORKVTESA-N 376.338 4.568 0 50 GJAA CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)S)c1CC(C)C 718848 YEMGRVGOIVMOPF-UHFFFAOYSA-N 387.395 4.810 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 1413858 USHCINBWQOUWOE-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1C 2866368 QYKFNAXDROKRBX-UHFFFAOYSA-N 395.450 4.722 0 50 GJAA CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2882996 HWIBUDOERJXOHB-UHFFFAOYSA-N 381.828 4.882 0 50 GJAA O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c(Cl)c1 5030728 AXCUDMUNGGTJLL-UHFFFAOYSA-N 389.032 4.706 0 50 GJAA COCc1nn2c(C(F)(F)F)cc(-c3ccncc3)nc2c1-c1ccccc1 9925827 VFEXHLGNZIYCEL-UHFFFAOYSA-N 384.361 4.624 0 50 GJAA CCn1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)n1 15063658 IYZUFGKOIIEVFT-FQEVSTJZSA-N 377.536 4.509 0 50 GJAA Cc1ccc([C@H]2CCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1 21150713 SJCGVJAZVGPGRM-GOSISDBHSA-N 396.441 4.830 0 50 GJAA O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1cccc2ccccc12 71754901 PSTPEEJDSYLRTH-UHFFFAOYSA-N 395.466 4.629 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@@H]1CO 72479153 OJDQQBDFKKHHKF-GOSISDBHSA-N 382.891 4.521 0 50 GJAA O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccco1 215337942 LWBFIOPAFDTCND-UHFFFAOYSA-N 385.345 4.949 0 50 GJAA C[Si](C)(C)[C@@]12C=C3[C@H]4CC[C@@H](C4)[C@@]3(C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 216514659 VPXSYYLHICRJTC-UOXLQKNCSA-N 377.560 4.631 0 50 GJAA COc1ccc([C@H](C(C)C)N2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)cc1 252537456 LFNZFQWJEJADRW-FQEVSTJZSA-N 376.460 4.531 0 50 GJAA Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@H](c1ccc(F)c(F)c1)C2 299785453 REKQZLZAIXIIRQ-IBGZPJMESA-N 399.418 4.512 0 50 GJAA O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@H](C2CCOCC2)C1 333297212 BJQYBCAFQQJQTG-AWEZNQCLSA-N 391.924 4.744 0 50 GJAA Cc1cc(C)c2oc(C(=O)Nc3cccc(S(=O)(=O)C(F)F)c3)c(C)c2c1 334162306 LXFVUQMQBFZUBU-UHFFFAOYSA-N 393.411 4.607 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)cc1 1506431296 HIABFDJCGWDBMH-QHCPKHFHSA-N 392.522 4.800 0 50 GJAA CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](c1cccc(F)c1)C1CC1 1875389522 RCMUPNAAAVPQOX-GOSISDBHSA-N 381.900 4.514 0 50 GJAA Cc1cnnc(-c2ccc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)c1C 2356151799 ZXDZLEBAQUENSW-UHFFFAOYSA-N 387.458 4.829 0 50 GJAA O=C(COc1ccccc1C(=O)Nc1nccs1)c1ccc2c(c1)CCCC2 1107092 BVZJMCBURVKFNR-UHFFFAOYSA-N 392.480 4.536 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 1157631 ANLRTHIKHUPPOJ-NTEUORMPSA-N 398.466 4.780 0 50 GJAA Cc1cc(Br)cc(C)c1OCCOCCN(C)Cc1ccccc1 2823430 CWFMBEFYLVNJIS-UHFFFAOYSA-N 392.337 4.593 0 50 GJAA CCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(CC)cc3)ccc12 2825860 QCDLWCQYXJPRTC-UHFFFAOYSA-N 379.456 4.716 0 50 GJAA Cc1cccc(C(C)C)c1NC(=O)c1ccc(I)cc1 2886891 KYIIQTCVGMVUKU-UHFFFAOYSA-N 379.241 4.975 0 50 GJAA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 2998994 WRKPYUZBRMVYDU-UHFFFAOYSA-N 378.472 4.543 0 50 GJAA COc1cc(NC(=S)NCCc2ccc(Cl)cc2)c(OC)cc1Cl 4438907 QHYZRUJWNURJKR-UHFFFAOYSA-N 385.316 4.540 0 50 GJAA CSc1cccc(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 13320030 CRZVCPSDAMAAOF-UHFFFAOYSA-N 393.915 4.551 0 50 GJAA CC1(COc2cccc(CN(C(=O)c3ccccc3F)C3CCCC3)c2)COC1 14986811 NNPUIRCKDAWWBC-UHFFFAOYSA-N 397.490 4.826 0 50 GJAA Cc1ccc2nc(NC(=N)NC(=S)Nc3ccc(C)c(Cl)c3)nc(C)c2c1 17195751 VDIOIVOWAUSUOH-UHFFFAOYSA-N 398.923 4.542 0 50 GJAA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19800786 MYGZLQGSPWOHPU-HNNXBMFYSA-N 392.113 4.556 0 50 GJAA Cc1ccsc1CN(C)Cc1cccc(-c2nc(O)cc(C(F)F)n2)c1 20537270 ILAVDIUMWKFSCH-UHFFFAOYSA-N 375.444 4.789 0 50 GJAA Cc1nc(-c2c(-c3ccccc3)ncn2[C@H]2CCN(Cc3ccccc3)C2)c[nH]1 65492472 KRJGUMLTWODHJJ-NRFANRHFSA-N 383.499 4.696 0 50 GJAA O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 67810222 WPFPDSUMDURRRW-UHFFFAOYSA-N 375.443 4.757 0 50 GJAA investigational CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 119196565 CCPHGTQCVPMQLF-UHFFFAOYSA-N 388.393 4.718 0 50 GJAA COc1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 131379468 WJVAADXLRXKEFK-UHFFFAOYSA-N 387.432 4.832 0 50 GJAA Cc1ccccc1[Si](CCc1ccccc1)(c1ccccc1)c1ccccc1 169817116 BGLCHGOMPFNLMW-UHFFFAOYSA-N 378.591 4.708 0 50 GJAA COc1ccc(OC)c([C@H]2CCCN2c2cc(C)c(Br)cn2)c1 225518027 HEOQJTJLXHRGPS-MRXNPFEDSA-N 377.282 4.511 0 50 GJAA O=C(Nc1cccc(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1)C1CC1 252509006 YAPPTEKJNDCVDV-HNNXBMFYSA-N 399.441 4.725 0 50 GJAA CC(C)c1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 253427382 ZHQYQXCMMBRAPX-QGZVFWFLSA-N 383.513 4.709 0 50 GJAA CC[C@H](NC(=O)N1CCCC2(CCCCCC2)C1)c1nnc2n1CCCCC2 408360913 AMHOHEWRFBYLNV-SFHVURJKSA-N 387.572 4.602 0 50 GJAA COCCC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(OC)cc2)cc1 952991503 SVSRUZXBVORGOR-LJQANCHMSA-N 383.488 4.909 0 50 GJAA CC1=C[C@@H]2C(C)(C)C[C@H](O)C[C@]2(C)C[C@H]1COc1ccc2ccc(=O)oc2c1 1848443776 HFRDLQOAYZVZNK-NIMADECDSA-N 382.500 4.941 0 50 GJAA CC(C)c1ccccc1Oc1ccccc1C(=O)N[C@@H](C)CO[C@@H]1CCOC1 1875259036 PWYBOQCUBLKUAH-ZWKOTPCHSA-N 383.488 4.526 0 50 GJAA Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3ccc(Cl)cc3)c12 1875387976 IIQRBXOXWIUPEZ-UHFFFAOYSA-N 395.818 4.547 0 50 GJAA COc1cccc2c1[nH]c(=N[C@@H](CC1CC1)c1cccc(C(F)(F)F)c1)n2C 2325829007 YAKKYMQKQIQVAR-INIZCTEOSA-N 389.421 4.976 0 50 GJAA O=C(c1nnc2c(F)cccc2c1O)N(CC1CCCCC1)c1ccccc1 2325843209 YUJIAKDMCSPJDA-UHFFFAOYSA-N 379.435 4.702 0 50 GJAA Cc1c(Cc2ccccc2)sc(NC(=S)Nc2ccccc2)c1C(N)=O 671905 DCNGIJMEJVCEBB-UHFFFAOYSA-N 381.526 4.555 0 50 GJAA CCOc1ccccc1-n1c(S)nnc1CSCc1ccc(F)cc1 6393945 MGWLDVOIHPCWSY-UHFFFAOYSA-N 375.494 4.527 0 50 GJAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1 11879062 MHTPZNSLDRRDKM-LJQANCHMSA-N 376.972 4.633 0 50 GJAA O=C(CCC1CCN(Cc2ccc3nonc3c2)CC1)Nc1ccccc1Cl 15065764 PTTHXWUNZWRROD-UHFFFAOYSA-N 398.894 4.507 0 50 GJAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H]1CC3c4ccccc4C1c1ccccc13)C2 239412378 SPUVSTRSHLYWPN-UXXJMVGBSA-N 385.551 5.615 0 50 GJAA Cc1csc(N(C(=O)c2ccc(-c3nnc(C)o3)cc2)c2ccccc2)n1 462107741 ZFFNCPMWHOKEAO-UHFFFAOYSA-N 376.441 4.788 0 50 GJAA CC(C)(C)[C@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@@H](c2ccccc2)O1 1857712802 TXWLXOKEQNSDMY-RBUKOAKNSA-N 389.442 4.916 0 50 GJAA O=C(O)c1cccc(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1857782421 KYRFPFZWLLRJGQ-UHFFFAOYSA-N 399.446 4.733 0 50 GJAA COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1ccco1 1217453 GQDCEMOITXFOJR-UHFFFAOYSA-N 386.407 4.946 0 50 GJAA COc1ccc(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 2977711 NCRNIMJYNKSLKS-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA COc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1 4545246 IUWDBIIZALNTPU-WBFFPQGRSA-N 398.462 4.504 0 50 GJAA COc1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 4810725 JXUYUZJXQOZZMU-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA c1ccc(-c2nnc(COc3cccc(-c4cnc5ccccc5n4)c3)o2)cc1 4841358 DNWGFMPYBVHIBZ-UHFFFAOYSA-N 380.407 4.926 0 50 GJAA CC1(C)Cc2c(sc3nc(SC/C=C\c4ccccc4)nc(N)c23)CO1 5048103 PRWLXPPRNYBPEN-TWGQIWQCSA-N 383.542 4.930 0 50 GJAA CN(Cc1cccc2ncccc12)c1nncc(-c2ccc(C(F)(F)F)cc2)n1 11933074 GSUPTYIVQMCUIJ-UHFFFAOYSA-N 395.388 4.742 0 50 GJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C2CCCC2)C3)cc1OC 11998860 DNMXIHXUBMMSOG-UHFFFAOYSA-N 383.488 4.516 0 50 GJAA Cc1cnccc1CNC(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 12448090 PSLDKNOBNUWLAO-NRFANRHFSA-N 380.875 4.587 0 50 GJAA c1ccc(CN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 54290196 GCUVPBCPDKYVQF-UHFFFAOYSA-N 386.524 4.681 0 50 GJAA COC1CCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 72447819 JYNIOEFKGHPNMK-UHFFFAOYSA-N 399.897 4.943 0 50 GJAA O=C(c1conc1-c1ccccc1)N1CCc2[nH]c3c(Cl)cccc3c2C1 77424484 UDJKOCGBUQARRT-UHFFFAOYSA-N 377.831 4.675 0 50 GJAA CCOc1c(Cl)cc(/C=C/C(=O)Nc2cc(CO)c(C)cc2C)cc1OC 170605709 ZJWLXGBCCSIVNO-VOTSOKGWSA-N 389.879 4.508 0 50 GJAA Cc1ccc2c(c1)NC(=O)CN(C(=S)Nc1ccccc1)[C@@H]2c1ccccc1 170612662 JDOUDEHBHNKXTQ-JOCHJYFZSA-N 387.508 4.736 0 50 GJAA CC[C@@H](CN(CC)C(=O)c1sc(-c2ncccn2)nc1C)c1ccccc1 185145985 DYTBCYXQHMWTCZ-INIZCTEOSA-N 380.517 4.564 0 50 GJAA COc1ccccc1-c1nc(C(=O)Nc2cc(Cl)c(Cl)cn2)cs1 225432818 AYBHWZBVOOLAJQ-UHFFFAOYSA-N 380.256 4.773 0 50 GJAA O=C(Nc1ccc(OCc2cccnc2)cc1)NC1(c2ccc(F)cc2)CC1 729572009 QIERGAMOKRQGPH-UHFFFAOYSA-N 377.419 4.611 0 50 GJAA FC(F)(F)C1CCC(CN[C@@H]2CCc3nc(-c4ccccc4)cn3C2)CC1 1875261091 LYVLMASTXJJTOB-VMWRSERWSA-N 377.454 4.823 0 50 GJAA Cc1nc(-c2cncc(OC(C)C)c2)n(Cc2ccc(C(F)(F)F)cc2)n1 1875348069 HUJXIWQJAXSKLB-UHFFFAOYSA-N 376.382 4.503 0 50 GJAA c1ccc2c(-n3nc(-c4ccoc4)nc3-c3ccc4c(n3)OCCO4)cccc2c1 1875348071 IEKNOQWKXUXYEA-UHFFFAOYSA-N 396.406 4.514 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 805601 IFOCTWWUPVOGDT-UHFFFAOYSA-N 385.217 4.547 0 50 GJAA CSc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1160251 KEXGZMPQJLGKFO-UHFFFAOYSA-N 383.538 4.800 0 50 GJAA O=C(CSCc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1160946 OTCBUKXNCBBENM-UHFFFAOYSA-N 391.452 4.869 0 50 GJAA O=C(CSCc1cccc(Br)c1)Nc1cccc2cccnc12 1233595 MUJGUPHEDCBKLY-UHFFFAOYSA-N 387.302 4.869 0 50 GJAA CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770233 YUGATZKZPHGUNV-ZDUSSCGKSA-N 386.831 4.834 0 50 GJAA biogenic Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4nc(C)cc4C)c3)no2)cc1 2797591 NKSUSMWDYKNOPK-UHFFFAOYSA-N 386.455 4.764 0 50 GJAA CC(=O)Nc1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 2859643 BYMUGDSSDWYWSB-UHFFFAOYSA-N 397.500 4.704 0 50 GJAA CCCCC1CCC(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OC)CC1 2866574 ZUWRRLHCQVTNTG-UHFFFAOYSA-N 379.522 4.981 0 50 GJAA Cc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3017213 QHLBVRCRVRDMGL-UHFFFAOYSA-N 385.419 4.786 0 50 GJAA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2Cl)CC(=O)N1 4913264 VVZPCTNPSNKGMV-KRWDZBQOSA-N 375.896 4.874 0 50 GJAA COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)c1 12072819 LMPBFQFMUMKPNJ-GOSISDBHSA-N 399.516 4.851 0 50 GJAA Cc1c(C(=O)N2CCCC2)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 12150626 FTJBIOTWPAXJSC-KRWDZBQOSA-N 392.528 4.725 0 50 GJAA Cn1c(C(=O)N2CCOCC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894326 JZSZFKUOWUXHHH-UHFFFAOYSA-N 389.282 4.625 0 50 GJAA COC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65387184 MGCOFVHHKBYESZ-FQEVSTJZSA-N 398.466 4.933 0 50 GJAA CC(C)Nc1ncc(CN2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cn1 71754060 FQHLLTTVHXGJIL-JOCHJYFZSA-N 388.515 4.545 0 50 GJAA CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3ccco3)C[C@@H]21 169685685 RWFBLRXAVJDUKE-CVDCTZTESA-N 390.439 4.929 0 50 GJAA CCCC[Sn](CCCC)(CCCC)COC[C@H](C)N 230833270 HWVHQCDLUIMLHX-NDNWHDOQSA-N 378.189 4.739 0 50 GJAA CCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 239339152 LTIVTGJEFRJVGB-ZRGWGRIASA-N 382.533 5.164 0 50 GJAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 247735624 KPZBQPDPSFOFHY-IXDOHACOSA-N 394.544 4.635 0 50 GJAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1ccc(-c2ccc(C)cc2)cc1 823060343 KABCDRXNMCGXSX-HSZRJFAPSA-N 375.468 4.563 0 50 GJAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCCC1 1704326807 NKQIWEOCVRURCR-UHFFFAOYSA-N 391.899 4.506 0 50 GJAA COc1ccc(CNC(=O)c2ccc(O)c(C(C)(C)C)c2)c(OC2CCCC2)c1 1875360166 AIRWNDLALVOFHD-UHFFFAOYSA-N 397.515 4.950 0 50 GJAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(Oc3ccccc3)cc2)o1 1875404485 KNLZSTSWVJNJQO-SBUREZEXSA-N 389.455 4.576 0 50 GJAA Cc1ccccc1[C@]1(CC(=O)Nc2c(C)cc(O)nc2C)CCOC(C)(C)C1 2100483633 CRLITZWONVCUET-QHCPKHFHSA-N 382.504 4.568 0 50 GJAA COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 647224 WPBWTLIGRHVFAF-UHFFFAOYSA-N 391.452 4.606 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2s1 1071904 LNFGTZOKOYEOQL-UHFFFAOYSA-N 378.906 4.998 0 50 GJAA O=C1O[C@@H](c2ccccc2)[C@@](O)(c2ccccc2)N1CCc1c[nH]c2ccccc12 1422801 DNBUWXULNGLMCJ-ZCYQVOJMSA-N 398.462 4.749 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1 1508706 PPDAPIGWGRMZTM-UHFFFAOYSA-N 395.256 4.954 0 50 GJAA aggregator CSc1ccn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)n1 2471989 POCKESXHTYIHID-UHFFFAOYSA-N 377.494 4.745 0 50 GJAA biogenic O=C(Oc1ccccc1C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccco1 4089387 JYHGFPUWBWHEHV-UHFFFAOYSA-N 392.798 4.569 0 50 GJAA Cc1cc(C(F)(F)Cl)nc2sc(C(=O)c3ccc(F)cc3F)c(N)c12 6400180 MKRWOCWUZCPUGV-UHFFFAOYSA-N 388.773 4.984 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9135092 MYCAZMDYGQEONG-UNEWFSDZSA-N 392.425 4.558 0 50 GJAA Cc1ccc(NC(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1F 13320237 MBQUFIPPMYOIKU-UHFFFAOYSA-N 396.293 4.791 0 50 GJAA Cc1csc(CNC(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 14965232 DJQDJYUIZZXMHZ-SFHVURJKSA-N 386.904 4.649 0 50 GJAA Cc1cccc2[nH]c(CN(C)C(=O)c3cccc(NCc4cccs4)c3)nc12 55386763 DDJSMYLFZSLAMW-UHFFFAOYSA-N 390.512 4.817 0 50 GJAA CC(=O)N[C@H](C)c1cc(Cl)ccc1C1CCN(C(=O)OC(C)(C)C)CC1 143080523 OCEBOKNNHXSTSU-CYBMUJFWSA-N 380.916 4.652 0 50 GJAA CCc1ncnc(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)c1F 301979549 XJMXREPSWQWFJZ-UHFFFAOYSA-N 389.434 4.835 0 50 GJAA O=C(c1ccccc1SCc1cn2ccccc2n1)N1C[C@H]2CCCC[C@@H]2C1 427139907 LJIHRMOAOJFWPL-QZTJIDSGSA-N 391.540 4.889 0 50 GJAA O=C(O)[C@H](c1ccccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1326503608 WDIRPPDBAOWXAD-IRXDYDNUSA-N 399.796 4.558 0 50 GJAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1C[C@H](C(C)C)c2ccccc21 1436119032 HVLSGJBJQDLJCD-MRXNPFEDSA-N 381.426 4.859 0 50 GJAA CC[C@@H](NC(=O)Nc1c(-c2ccccc2)c(C)nn1C)c1ccc(F)cc1F 1875303561 DJGIACNUTPNVOQ-GOSISDBHSA-N 384.430 4.947 0 50 GJAA Cc1sc2nc([C@H](C)OC(=O)[C@H]3CC[C@@H](c4ccccc4)O3)nc(O)c2c1C 2325732515 ZVGLZWYMTRKPKF-VBNZEHGJSA-N 398.484 4.538 0 50 GJAA Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 1113614 WBHORTCKXQTSDJ-GFCCVEGCSA-N 396.796 4.659 0 50 GJAA COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1Br 1121189 SXZKRJHNPVJKMQ-UHFFFAOYSA-N 398.322 4.690 0 50 GJAA COc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 3877560 XZYUCASGXRUFPV-UHFFFAOYSA-N 393.483 4.888 0 50 GJAA biogenic Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)n2)cc1 4103931 FXVNVFCPYOLSDI-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC[C@H]3CCCO3)c2c1 6234316 JTZJNLDEMYXZEK-QGZVFWFLSA-N 380.875 4.772 0 50 GJAA Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1 6269214 KQTPYMPXLXGELR-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@@H]3c3ccccn3)ccc2c1 11816748 FZXUFTFRARPTKE-HSZRJFAPSA-N 384.483 4.971 0 50 GJAA CCCCN(C)C(=O)c1sc2ncnc(NCc3cccc(F)c3)c2c1C 12167611 WKSFYOACOBLXTJ-UHFFFAOYSA-N 386.496 4.623 0 50 GJAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 12380859 UTPBGABRDVWSIN-OAHLLOKOSA-N 394.858 4.998 0 50 GJAA Cc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl 12385933 KXBNXXNQNBDPDW-HXUWFJFHSA-N 381.907 4.563 0 50 GJAA CC(C)c1ccc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 17080911 KLLRWYJHYWNKNY-UHFFFAOYSA-N 395.591 4.606 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)CCn1ccnc1 19300456 UXVJIYSHIUVJCX-UHFFFAOYSA-N 388.471 4.771 0 50 GJAA CCc1ccc2oc(=O)cc(CN3CCN(c4cc(Cl)ccc4C)CC3)c2c1 20213248 JXEIZUMDQVFARJ-UHFFFAOYSA-N 396.918 4.639 0 50 GJAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)oc1C 23214923 HHODTLSJFBUMAY-KRWDZBQOSA-N 376.884 4.611 0 50 GJAA Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 28292155 FRLKXFJTJJRBJB-UHFFFAOYSA-N 384.838 4.795 0 50 GJAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 65365756 ZDOHTJMFENQISI-UHFFFAOYSA-N 383.839 4.835 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N4CC[C@H](CC(C)C)C4)co3)ccc2s1 91645053 XYSWTGTZGLUXSD-OAHLLOKOSA-N 399.516 4.680 0 50 GJAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 101889614 SDCWCBCCXXJTKX-ZNOIYHFQSA-N 396.874 4.518 0 50 GJAA Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)c2)n1 161968654 LOLMSSUZLNTGEW-RBBKRZOGSA-N 390.487 4.531 0 50 GJAA O=C(O)c1ccc(Nc2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)cc1 170621817 ZSVOTLAXGOQEOX-UHFFFAOYSA-N 389.459 4.652 0 50 GJAA CCc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3C(N)=O)s2)cc1 170643529 IEEOILIBZCTDQH-UHFFFAOYSA-N 399.903 4.686 0 50 GJAA Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cc2)c1 183063597 JNBNCCNZJHOUEQ-LJQANCHMSA-N 377.448 4.665 0 50 GJAA CC(C)(O)CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)C1CC1 190109743 IQAURHMURYXUDP-UHFFFAOYSA-N 395.286 4.556 0 50 GJAA COc1ccc(CN(Cc2nc3ccccc3o2)[C@H](CCO)c2ccco2)cc1 225424692 FGUXQAZDKWOFJB-HXUWFJFHSA-N 392.455 4.555 0 50 GJAA C[C@@H](OC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C(=O)c1ccccc1 2325827075 URVIFNPIIKZXGC-CQSZACIVSA-N 388.398 4.797 0 50 GJAA CC(C)c1ccc([C@@H](CO)NC(=O)Nc2ccc(Br)cc2F)cc1 2325828291 CWKNMTBAGPJHMG-QGZVFWFLSA-N 395.272 4.567 0 50 GJAA CCOc1ccccc1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1 675918 GUKSIQAKULOIAI-UHFFFAOYSA-N 385.847 4.841 0 50 GJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 756615 MGUUAVWDTAKJAE-KRWDZBQOSA-N 376.466 4.891 0 50 GJAA CCOc1ccc2nc(S[C@H](CC)C(=O)Nc3cc(C)on3)sc2c1 1150334 ZWEJDNXKPIBLJF-CYBMUJFWSA-N 377.491 4.501 0 50 GJAA COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 1301048 PMCVYRDIHJGJAR-JOCHJYFZSA-N 386.451 4.788 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 1435804 BBXNHMXGKRGZFD-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CC(C)(C)c1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)cc1 4541725 JPONSZRXZCBDLB-UHFFFAOYSA-N 389.543 4.943 0 50 GJAA O=C(C1CC1)N1CC[C@H]2[C@H](CCCN2Cc2cccc(Oc3ccccc3)c2)C1 11872598 GBUDIKUYDPCLPW-QPPBQGQZSA-N 390.527 4.702 0 50 GJAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)nn2C)cc1 12585985 HULDDUFSSRZWGW-XMMPIXPASA-N 398.510 4.560 0 50 GJAA COc1cccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)c1Cl 101173593 YXAMKLSSJRYFIA-NRFANRHFSA-N 392.886 4.874 0 50 GJAA Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)n1C1CCCCC1 119519708 USJUSNHRPFLMFJ-UHFFFAOYSA-N 383.517 4.907 0 50 GJAA CN(Cc1ccc(Cl)cc1Cl)C[C@H](O)c1cccc(Br)c1 167934940 OOAOBUFTHJCSHJ-INIZCTEOSA-N 389.120 4.921 0 50 GJAA CC(=O)N1C[C@@H](CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21 170596693 AZNJGOAPJUZJRG-CQSZACIVSA-N 397.525 4.741 0 50 GJAA O=C(Nc1cccc2cccnc12)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622915 IXDRSFYWKJZPDM-UHFFFAOYSA-N 384.317 4.556 0 50 GJAA Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@@H]3CCCC[C@H]3C2)o1 252444088 GHEZEQSOIUMALB-WMZOPIPTSA-N 378.476 4.712 0 50 GJAA CC(C)[C@@H](NC(=O)CCn1ccc2ccc(F)cc21)c1nc2ccccc2[nH]1 334162051 NAMMOIFKWRCLRI-OAQYLSRUSA-N 378.451 4.560 0 50 GJAA Cc1ccc(-c2nc(CCNC(=O)c3cc(F)cc(C(F)(F)F)c3)co2)cc1 446169986 CROPOUCZZJZCIZ-UHFFFAOYSA-N 392.352 4.780 0 50 GJAA CC(C)C[C@H](N)c1nc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 843205783 FUKZFVVJSHGUGM-AWEZNQCLSA-N 392.381 4.989 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC([C@@H](O)CCc2ccccc2)CC1 1506400768 LCBXYEHCRAZEJW-FQEVSTJZSA-N 391.433 4.551 0 50 GJAA CCOc1c(Br)cc(CNCc2ccc3ccoc3c2)cc1OC 2325725444 VNNZHPAHWGJXIA-UHFFFAOYSA-N 390.277 4.892 0 50 GJAA CC(C)C(=O)NC(C)(C)c1noc([C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)n1 2325868763 JQJKSDZAMCIRHY-UONOGXRCSA-N 382.291 4.655 0 50 GJAA CCCN1CCC[C@]2(CCCN2C(=O)Nc2ccccc2-c2ccccc2)C1=O 2356138318 IYXRTFRQNXENOM-DEOSSOPVSA-N 391.515 4.753 0 50 GJAA O=C(Nc1oncc1-c1ccc(Cl)cc1)[C@H]1CCCN(C2CCCCC2)C1 2356167505 ZUTFRTMFXMDXKZ-INIZCTEOSA-N 387.911 4.978 0 50 GJAA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 828069 ODBNDXPNTFAHLN-UHFFFAOYSA-N 392.846 4.725 0 50 GJAA COc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)sc2c1 951177 CMUSTTDSLJAQQZ-NSHDSACASA-N 376.865 4.673 0 50 GJAA O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1cccs1 1075790 LPFYZCMAMXRNSU-UHFFFAOYSA-N 399.855 4.656 0 50 GJAA Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 1143689 KQHGZNSPYZTDNU-UHFFFAOYSA-N 386.908 4.577 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 1209827 KCMUKBPBEJPLTQ-UHFFFAOYSA-N 385.419 4.786 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1CC 2386039 KOGQUORXTRKPIA-UHFFFAOYSA-N 386.546 4.628 0 50 GJAA CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 2881216 MVTYCZQTRVLMDW-IBGZPJMESA-N 390.483 4.748 0 50 GJAA Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 4703834 NCJZANHDHLKJNX-UHFFFAOYSA-N 386.860 4.741 0 50 GJAA CC(=O)Nc1ccnn1C1CCN(Cc2cccc3c2oc2ccccc23)CC1 11702410 ZSPJOXGJRKXGHJ-UHFFFAOYSA-N 388.471 4.578 0 50 GJAA CN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)cc2F)CC1 11816390 BGRQHHOXFDNIMC-UHFFFAOYSA-N 388.914 4.506 0 50 GJAA CN(Cc1nnc(SCc2ccccc2Cl)n1C)CC1CCCCC1 12457478 WPBXJHOOHWCICC-UHFFFAOYSA-N 378.973 4.773 0 50 GJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)C3CCC3)cc2)no1 65376284 LMEOQCGGTKPIMH-IBGZPJMESA-N 381.476 4.514 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCc2[nH]ncc2C1 72408776 ITPXGHWMOWJKHN-UHFFFAOYSA-N 386.455 4.724 0 50 GJAA Cc1ccc2nccc(N3CCC[C@H](c4nccn4Cc4ccncc4)C3)c2c1 95528698 SBBAXENZPJVIOW-FQEVSTJZSA-N 383.499 4.567 0 50 GJAA COc1cccc([C@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)c1 225514799 MSOKSFHKTAXRGE-LJQANCHMSA-N 377.469 4.836 0 50 GJAA Cc1c(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(O)nc2ccccc12 534655533 IXJFGWSTGWPPTM-UHFFFAOYSA-N 382.410 4.787 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@H](c1ccccc1F)N(C)C 952990627 RTFSYNFTBYTSFO-OAQYLSRUSA-N 397.494 4.504 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@H](C)C(F)(F)C3)cccc2c1=O 2325745023 RVRURZPGUKLXES-AWEZNQCLSA-N 397.421 4.886 0 50 GJAA O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CC4)cc3)nc2)cc1)C1CC1 692674 LCCPSGFVFQUJCD-UHFFFAOYSA-N 398.466 4.508 0 50 GJAA C[C@@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CO)cc3)c(F)c2)cc1 1405415 MJYBOLOAOGAXNB-DLBZAZTESA-N 396.458 4.679 0 50 GJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccs2)s1 2503283 OQZUOPJTFCMPLK-UHFFFAOYSA-N 379.894 4.716 0 50 GJAA Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)c(C)c1 2544679 TXAAOWIRARHHMT-UHFFFAOYSA-N 380.517 4.540 0 50 GJAA Cc1cc(C)cc(C(=O)Nc2ccc(I)cc2Cl)c1 2851669 GUKWJJXYRNNXPU-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA Cc1ccccc1OCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 2989360 HBAQETUCMPWEDY-UHFFFAOYSA-N 384.328 4.730 0 50 GJAA Fc1ccc(-c2csc3ncnc(N4CCN(C5CCCC5)CC4)c23)cc1 4276358 VQOLTXCNQCEYQY-UHFFFAOYSA-N 382.508 4.562 0 50 GJAA CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccco3)=NN12 5591216 BHOJBSDIXNALLO-GOSISDBHSA-N 385.895 4.679 0 50 GJAA COc1cccc(CN2CCC(c3[nH]ncc3CCc3ccccc3)CC2)c1 11784523 KXAXLSXRWGZPKZ-UHFFFAOYSA-N 375.516 4.583 0 50 GJAA Cc1ncoc1C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 12479019 ANOXTXUAMYSCBU-SFHVURJKSA-N 392.430 4.524 0 50 GJAA CCCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)no1 33269791 ZGQJYNCDPUFPRX-SFHVURJKSA-N 385.851 4.913 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(OC)c1 42881842 PTZAOSRQMFCTFH-GOSISDBHSA-N 395.478 4.613 0 50 GJAA c1ccc(N2CCC3(CCCN3Cc3ccc([C@H]4CCCCO4)o3)CC2)nc1 72421293 JIPAPGYFJHAABU-HXUWFJFHSA-N 381.520 4.551 0 50 GJAA Cc1cccc(SC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 91746599 VWOVWPOAIJWFPS-UHFFFAOYSA-N 395.503 4.921 0 50 GJAA Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3oc(C)nc3C)n2n1 170673104 LFJLTXZTBSZHFC-UHFFFAOYSA-N 392.484 4.593 0 50 GJAA COc1cccc(C2(C(=O)Nc3cccc(-c4nccn4C)c3)CCCC2)c1 225553601 YFILDAQHBHAUCS-UHFFFAOYSA-N 375.472 4.546 0 50 GJAA C[C@@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1csc2ccccc12 747544257 ISGPCWULOROUMU-SSINHNECSA-N 376.478 4.661 0 50 GJAA CO[C@H]1CCCN(C(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)C1 1506417063 KTRATUMWEYCONY-IBGZPJMESA-N 379.456 4.571 0 50 GJAA Cc1ccc(NC2(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CCCCC2)cc1 1506421021 DFEGZGLRUBYAJD-QHCPKHFHSA-N 391.559 4.501 0 50 GJAA CCOc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccccc2)S3)cc1OCC 952720 RCOMTILXFLLAAY-SFHVURJKSA-N 395.484 4.620 0 50 GJAA O=C(CSc1ncc(-c2ccccc2)nn1)N(c1ccccc1)c1ccccc1 1117053 VNIAIZPKHNRFNG-UHFFFAOYSA-N 398.491 4.996 0 50 GJAA CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 2239647 SLGZVXOIWFRHGN-IBGZPJMESA-N 389.521 4.946 0 50 GJAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccccc1F 2844794 CMIPEDYENLNDIE-MOSHPQCFSA-N 391.373 4.888 0 50 GJAA Cc1cc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nc2c(C)cccc12 12000139 AHKRSIQHRJYJRB-AWEZNQCLSA-N 392.480 4.546 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)Cc1nc(-c2ccccc2)no1 23128461 ZIQGYAWFKFIFJR-UHFFFAOYSA-N 394.862 4.985 0 50 GJAA Fc1cccc(F)c1C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 43804482 CLUKUTIMRKWLKG-VIFPVBQESA-N 391.727 4.637 0 50 GJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccsc1 67886133 JLUBRVJJARINEP-UHFFFAOYSA-N 378.375 4.884 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)n1 72117732 MADFESAXAXXBDL-UHFFFAOYSA-N 392.463 4.613 0 50 GJAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C 257348584 HDLRFHJYLSKLMU-ZPVOZQTBSA-N 376.537 4.545 0 50 GJAA O=C(Cc1cccc(F)c1F)Nc1ccc(Oc2cccc(F)c2F)nc1 487132981 FDADINFHSJHXTD-UHFFFAOYSA-N 376.309 4.612 0 50 GJAA O=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1 653721756 NYKBXXGHEMXSBB-UHFFFAOYSA-N 382.463 4.970 0 50 GJAA Cc1ccccc1[C@@H](O)CNC(=O)c1cc(-c2cccs2)nc2ccccc12 732833279 PVFIEMZMXCBBHC-NRFANRHFSA-N 388.492 4.735 0 50 GJAA c1cc2cc(c1)OCCN(Cc1cscn1)CCCCN1CCCC[C@H]1CC2 1857702771 CECYMBLYHWRPBE-QFIPXVFZSA-N 399.604 4.605 0 50 GJAA CCc1ccc2occ(C(=O)Nc3ccc(OCCn4ccnc4)cc3)c2c1 2325731997 AGRYFFHNQIDEFJ-UHFFFAOYSA-N 375.428 4.523 0 50 GJAA COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 672726 IMBHSPNBCJMAOM-SJORKVTESA-N 383.513 4.936 0 50 GJAA CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@@H](C)C3)cc1 722320 ZIRHMVPEKMUWCR-CYBMUJFWSA-N 386.517 4.872 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 882109 BVNAYILIMRRMMO-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 992929 FEKOWMYQQLMMNO-UHFFFAOYSA-N 387.435 4.541 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1886278 OGJYDXLBFOILQG-UHFFFAOYSA-N 396.270 4.968 0 50 GJAA COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 2851776 KLRKKMHJRRXVBZ-UHFFFAOYSA-N 390.408 4.551 0 50 GJAA COC(=O)c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2865062 ZEVCEBORZVXYAW-UHFFFAOYSA-N 383.227 4.545 0 50 GJAA CCc1ccc(S(=O)(=O)Nc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 2954428 GRWWZZRCNMDQET-UHFFFAOYSA-N 395.480 4.577 0 50 GJAA O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 4725440 VFXYQAJPOPLPSS-UHFFFAOYSA-N 377.315 4.522 0 50 GJAA COc1cccc(CN(C)C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)c1 12024033 AUJOMGDGKXRQNO-UHFFFAOYSA-N 386.451 4.699 0 50 GJAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1CC12CCCCC2 12702325 FIYNFTWCWYQADN-OAQYLSRUSA-N 386.555 4.509 0 50 GJAA CCCCN(Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 15071129 DHNLIWGTXHPVNF-HSZRJFAPSA-N 394.559 4.879 0 50 GJAA Cc1cc(C)c2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 17832035 WYQPNUOOJOEWDT-UHFFFAOYSA-N 391.862 4.702 0 50 GJAA CCCc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@H]3c3cccnc3)cc2)n1 19535890 MTXPWFYJEUHMCR-QFIPXVFZSA-N 388.515 4.512 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccc(Cl)cc1 22458487 SMDRPXJEKYAPEA-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(C)=O)C1 65535649 PKPXVZQDNPZBAH-FQEVSTJZSA-N 389.499 4.718 0 50 GJAA O=C(c1cc(-c2cccc(Cl)c2)no1)N(CC(F)(F)F)c1ccccn1 154689722 CHYNRCLANKPGKU-UHFFFAOYSA-N 381.741 4.599 0 50 GJAA COc1cc(CN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C2CC2)ccc1O 215215555 CPORLVCPICETAP-UHFFFAOYSA-N 378.472 4.612 0 50 GJAA COc1cccc(C2=NN3[C@H](c4ccccc4OC)Oc4ccccc4[C@H]3C2)c1 245256801 TUMMYJOEZSOHAQ-QPPBQGQZSA-N 386.451 4.946 0 50 GJAA CC(C)CC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 245312012 RTERSVKGKRXLAJ-NGRWLJPCSA-N 380.532 4.794 0 50 GJAA C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccccc1SC(C)(C)C 252478678 ASBFMKVCWFZWNW-QGZVFWFLSA-N 385.577 4.660 0 50 GJAA CCN(CC)CCc1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1 252498692 RIPSSHZOPVZLOX-UHFFFAOYSA-N 392.503 4.548 0 50 GJAA CCNC(=O)c1cc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c(C)s1 889397889 UWODNPMBXWHJFU-YVEFUNNKSA-N 389.496 4.560 0 50 GJAA COc1ccc(-c2nsc(NC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)n2)cc1 1775974988 AMVHZZCJMOXLJM-AAEUAGOBSA-N 398.315 4.743 0 50 GJAA C[C@@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc(F)cc1 636181 PRMUOPPQXHQEHR-OAHLLOKOSA-N 391.421 4.854 0 50 GJAA CCc1ccc(-c2nc(NC(=S)NC(=O)c3cccs3)sc2C)cc1 654154 GXYKFTGNKSMLDA-UHFFFAOYSA-N 387.555 4.869 0 50 GJAA S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CC1 1101584 CHCCGJUIRNAZRR-UHFFFAOYSA-N 376.441 4.599 0 50 GJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 1109102 FDGFIPIIMPJKSH-CQSZACIVSA-N 398.846 4.900 0 50 GJAA Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 1160229 UTXVKSHXKMEKME-UHFFFAOYSA-N 388.183 4.794 0 50 GJAA CCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2ccccc12 4894222 PNEQHIJKLVSYLR-UHFFFAOYSA-N 383.469 4.658 0 50 GJAA CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 6963324 YJCJPKINQNBEBJ-UHFFFAOYSA-N 382.439 4.730 0 50 GJAA CC(=O)c1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12433035 WUUJRUWBEXPGHK-DEOSSOPVSA-N 395.462 4.553 0 50 GJAA CCCn1cc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c(C)n1 12612583 BPQZVGCGPZSGTQ-JOCHJYFZSA-N 377.536 4.571 0 50 GJAA c1ccc2c(CN(CC3CCN(C4CCCC4)CC3)C[C@@H]3CCCO3)c[nH]c2c1 14960632 NWLSVGJXIGMMPL-QHCPKHFHSA-N 395.591 4.804 0 50 GJAA COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)c2ccccc12 14974957 CRTSXBMHQFDCCB-CQSZACIVSA-N 377.444 4.993 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 19536890 VBANWOHCRNNRNF-JXMROGBWSA-N 382.507 4.825 0 50 GJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 55183088 OLGYMRUNUSMBEB-INIZCTEOSA-N 399.947 4.991 0 50 GJAA Cc1cccc(-c2ccc(CN3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2)c1 219864460 PEKVGBZOOLOKIE-VWLOTQADSA-N 387.527 4.708 0 50 GJAA COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2)cc1 238924038 QLWGYUISWXNZGO-KRWDZBQOSA-N 385.851 4.526 0 50 GJAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1cc(F)c(F)c(F)c1 252519029 ASPNBHUWZXECLZ-UHFFFAOYSA-N 387.386 4.994 0 50 GJAA CCn1nc(C)c([C@@H](C)NC(=O)N(Cc2cccnc2)C2CCCCC2)c1C 426396686 WLXBFBDBCDMBSH-MRXNPFEDSA-N 383.540 4.520 0 50 GJAA O=C(O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 725240697 WXHKKBWBBDRORH-INIZCTEOSA-N 379.456 4.512 0 50 GJAA Clc1ccc(-c2cc3nc[nH]c(=N[C@@H]4CC[C@H]5CNCC[C@@H]5C4)c3s2)cc1 1875337393 YUVJCERLOKBWFY-HLLBOEOZSA-N 398.963 4.624 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1OC 946988 ZEMZEBFHUYSVMX-YRNVUSSQSA-N 380.469 4.788 0 50 GJAA biogenic Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 1109101 FDGFIPIIMPJKSH-AWEZNQCLSA-N 398.846 4.900 0 50 GJAA Cc1c(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)oc2ccccc12 1176500 VRJBCAQWQDJOPK-UHFFFAOYSA-N 378.375 4.887 0 50 GJAA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccs1 1186821 YFQTXHHHQCCYMC-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCCCC2 2841884 IVEMBEUESURQIL-AWEZNQCLSA-N 387.501 4.600 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 2991378 QHLQDUNDFHRMOH-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CCCCc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 2998228 MMWIOJIIBXLLNN-MRXNPFEDSA-N 393.512 4.631 0 50 GJAA COc1ccc(N2C3=[N+](CCCC3)C[C@@]2(O)c2ccc(-c3ccccc3)cc2)cc1 13774045 PGMBPHYJDIQGQC-AREMUKBSSA-N 399.514 4.622 0 50 GJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1C 15063237 ZCJTVNHYGALHJL-HXUWFJFHSA-N 397.563 4.801 0 50 GJAA CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1c(F)cccc1Cl 21787129 HCQGDMYRSYTJCW-LJQANCHMSA-N 385.870 4.951 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1OC 100731163 ISHNYCZNSRAUQS-DYESRHJHSA-N 386.879 4.883 0 50 GJAA O=C(Nc1ccn(-c2ccccc2Cl)n1)c1c(F)ccc(OC(F)F)c1F 123852064 GSEJSPVFWKCROF-UHFFFAOYSA-N 399.731 4.658 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCC(C)(C)[C@@H]4C)csc3C2)nc1 426711322 MSYVAKLXVWRHAE-INIZCTEOSA-N 397.588 4.524 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](c1ccc(Br)cc1)C1CC1 2325841693 DHLSQZHBIYGJFR-IIBYNOLFSA-N 388.349 4.649 0 50 GJAA CC(C)c1ccccc1Nc1ccc(C(=O)N[C@]2(C(=O)O)CCC[C@H]3C[C@@H]32)cc1 2325862403 SQQBEZWNFPGETP-GERBCZOESA-N 392.499 4.927 0 50 GJAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccccc3Cc3ccc(C)cc3)C[C@H]21 2356169973 ORNKTBCESADOLL-PWWKTKHKSA-N 377.528 4.599 0 50 GJAA Brc1ccccc1CSc1nnnn1-c1cccc2ccccc12 1060851 MGOFUATVTWZSON-UHFFFAOYSA-N 397.301 4.870 0 50 GJAA O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1ccc(Cl)cc1Cl 1158503 LVEXVPDQIYWCQG-UHFFFAOYSA-N 380.296 4.984 0 50 GJAA CCOc1ccc2nc(NC(=O)CSc3nc(C)c(C(C)C)[nH]3)sc2c1 6668587 XTJKHTOQBHTRKB-UHFFFAOYSA-N 390.534 4.581 0 50 GJAA Cc1csc(CNC(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)n1 11661724 DXHFPHKSIXZGEX-KRWDZBQOSA-N 386.904 4.649 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)N1CCCC1 12093429 IMOFDIVMWPVBED-HXUWFJFHSA-N 384.564 4.623 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(CCCC(F)(F)F)C2)c(C)c1 14954177 ONKGQKLGIOPTGG-INIZCTEOSA-N 386.458 4.777 0 50 GJAA Cc1cccc(NC(=O)c2ccc([C@H]3CCCN3C(=O)c3ccon3)s2)c1C 20538426 SXUUAECNECWHAA-QGZVFWFLSA-N 395.484 4.583 0 50 GJAA Cc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1OCC(F)F 193516794 GGYXHRUHYAEMBQ-UHFFFAOYSA-N 378.423 4.903 0 50 GJAA Cc1ccc(-c2nc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cs2)c(C)c1 252570817 XHWBLGKGEDBPNQ-UHFFFAOYSA-N 395.459 4.703 0 50 GJAA c1cc(CN2CCCN(Cc3ccc(SC4CCCCC4)o3)CC2)ccn1 952960097 JWGGTABYHHUAIQ-UHFFFAOYSA-N 385.577 4.807 0 50 GJAA Cc1ccc(NC(C)(C)C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc1 1506397209 JJKFJNQJYMSPQX-JOCHJYFZSA-N 379.548 4.529 0 50 GJAA Cn1nc(-c2nc(Cc3cccs3)nn2-c2cccc(Cl)c2)cc1C1CC1 1875348064 HSDLHLQPYFFAOV-UHFFFAOYSA-N 395.919 4.851 0 50 GJAA COc1ccccc1-c1coc2cc(OC(=O)c3ccccc3C)ccc2c1=O 946548 ODWLWNPLEQNSCQ-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA biogenic CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)cc1C 1137823 LGMUADDATRFBGH-UHFFFAOYSA-N 388.272 4.558 0 50 GJAA Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc3c(c2)OCO3)n1 2876732 HFZMZBDOHTXMPS-UHFFFAOYSA-N 393.834 4.558 0 50 GJAA Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)cc1 2893361 PEIJRCBMBCUJJE-QNGOZBTKSA-N 383.403 4.559 0 50 GJAA CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 4866549 ZSGWLLOKLDFPQH-JOCHJYFZSA-N 397.430 4.547 0 50 GJAA O=C(c1ccco1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 4943679 PBFJVRJTVAGAOI-UHFFFAOYSA-N 385.851 4.958 0 50 GJAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 10691350 KTFIASNIOWXBNW-UHFFFAOYSA-N 376.544 4.767 0 50 GJAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(SC)c2)C1 14955713 ZDNIQJPONOTVLR-OAHLLOKOSA-N 384.501 4.544 0 50 GJAA Cc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1C 16578854 KQYUCEWBKNFJOB-UHFFFAOYSA-N 376.243 4.841 0 50 GJAA CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1 140045994 ZCDBTQNFAPKACC-UHFFFAOYSA-N 383.498 4.770 0 50 GJAA in-vitro CCCC[Sn](CCCC)(CCCC)c1ccncc1C=O 169794529 CQDQKSXEFDNNNH-UHFFFAOYSA-N 396.163 4.950 0 50 GJAA Cc1cnc(C2CCN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)CC2)s1 277443285 JJOFKCOZASJNGM-WOJBJXKFSA-N 399.560 4.508 0 50 GJAA CC[C@]1(CO)CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3OC)cc2)C1 426479630 CIARLUQNXPSTIW-QFIPXVFZSA-N 387.907 4.640 0 50 GJAA CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 1875254913 NPFBUGOPOMDBFB-DHZHZOJOSA-N 377.271 4.624 0 50 GJAA COc1c(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)cccc1C(F)F 1875343073 PFZQMHCMTIDYSD-BPNCWPANSA-N 377.353 4.968 0 50 GJAA CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ccccc1Cl 1059646 RGFODSIJZLRARI-UHFFFAOYSA-N 382.685 4.576 0 50 GJAA O=C(Nc1cccc(Cl)c1)c1ccc(C(=O)Nc2cccc(Cl)c2)nc1 2755943 RCVSUTDIQQUVNN-UHFFFAOYSA-N 386.238 4.893 0 50 GJAA CC(C)(C)c1ccc(OCCNC(=O)COc2ccc3ccccc3c2)cc1 2814013 WPWKNVGKSOTCGG-UHFFFAOYSA-N 377.484 4.711 0 50 GJAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(Cl)c1 2835375 RFNOUHCDJFAULP-UHFFFAOYSA-N 398.812 4.756 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 4913182 ZSSVRKRYHJCRLI-INIZCTEOSA-N 396.314 4.994 0 50 GJAA Cc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(Cl)c2)c1 5061679 QEBBWDOZQVHNQY-DEDYPNTBSA-N 394.858 4.959 0 50 GJAA O=C(CCC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)N1CCCC1 12570532 AFYIBGISNUGTBO-UHFFFAOYSA-N 376.544 4.968 0 50 GJAA Cc1ccc([C@H](C)CCN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)o1 12592556 ITUXCTLQZAAYLQ-QGZVFWFLSA-N 398.551 4.744 0 50 GJAA CCc1nn2c(NCc3cccnc3)cc(C)nc2c1-c1ccc(Cl)cc1 13688157 OXZAGWKSQQTWBG-UHFFFAOYSA-N 377.879 4.928 0 50 GJAA Cn1nc(C2CC2)c2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(C3CC3)nc21 13960967 UGVIZRPDCDONNW-UHFFFAOYSA-N 398.413 4.577 0 50 GJAA COc1cc(/C=C/CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)ccc1O 15063718 RCKDPRJDQQCJBP-YZTRRJNXSA-N 385.891 4.662 0 50 GJAA Cc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1-c1ccc(F)cc1 151833980 LZHVJKDMKZMSLN-LLVKDONJSA-N 396.443 4.834 0 50 GJAA O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@H](Nc2ccccc2)C1 170624458 LXVLLVFFGKZGKI-SFHVURJKSA-N 380.879 4.849 0 50 GJAA CC[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1nc(C(F)(F)F)cs1 174841792 JXTUDJVHXYPHJH-NSHDSACASA-N 381.379 4.698 0 50 GJAA O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1scnc1C1CC1 189485815 NYIVRCVIYXHENY-AWEZNQCLSA-N 392.908 4.874 0 50 GJAA Cc1c(Cl)cccc1C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215035857 UGNFXIDXGHHUKL-UHFFFAOYSA-N 386.282 4.890 0 50 GJAA COc1cccc(NC2CCN(C(=O)Nc3ccc(C4CC4)c(F)c3)CC2)c1 252498421 RBQLOKPFOZXWCD-UHFFFAOYSA-N 383.467 4.820 0 50 GJAA CC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2ccc(C)nn2)c1 426477685 GHCYSPHANWCXDC-JOCHJYFZSA-N 375.472 4.684 0 50 GJAA O=C(Cc1cccs1)NCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1 1506407970 UMEJXHUDWSVDQT-UHFFFAOYSA-N 399.947 4.525 0 50 GJAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2)cc1 957950 JQEPFBOIRDHTNW-UHFFFAOYSA-N 399.402 4.573 0 50 GJAA COc1ccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 1108030 LPISDXUMECIXLL-LABNAMAPSA-N 398.462 4.661 0 50 GJAA biogenic CCOC(=O)c1ccc(COc2ccccc2C(=O)Oc2ccccc2)cc1 1130093 QHZXTZAILKKCDU-UHFFFAOYSA-N 376.408 4.662 0 50 GJAA CCOc1ccc([C@@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1210868 CFDUBUMRFQMJLL-QHCPKHFHSA-N 391.467 4.622 0 50 GJAA CC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 2232599 YBOOCHSXKCTJNR-UHFFFAOYSA-N 376.890 4.883 0 50 GJAA Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2366256 MVULSHXVPCTEKK-UHFFFAOYSA-N 380.517 4.510 0 50 GJAA FC(F)Oc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 2919725 SMJNKOAUOJTHOP-HUUCEWRRSA-N 376.794 4.679 0 50 GJAA CCc1ccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 8608547 DAYMJKUSKYBLLN-UHFFFAOYSA-N 382.485 4.891 0 50 GJAA C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)Cc2ccccc2)CC1 12157045 UZLCWXNRVUAENY-FARCUNLSSA-N 398.510 4.520 0 50 GJAA CCN1CCC(N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 12594971 IECXDKITLCGBEI-NRFANRHFSA-N 392.543 4.858 0 50 GJAA CC(C)c1nc2cc(C(=O)N(C)[C@@H](C)c3ccc4c(c3)OCCO4)ccc2o1 12718146 ILVMRRKOCRITHD-AWEZNQCLSA-N 380.444 4.556 0 50 GJAA CCn1cc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)c(C)n1 14990832 OSEJPZYMTUIEGG-QGZVFWFLSA-N 383.927 4.635 0 50 GJAA Cc1c(CN2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)cnn1C 23478538 IBCNYZRRCQALLW-UHFFFAOYSA-N 385.515 4.651 0 50 GJAA CCSCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67755551 OBHOCMVQPIEDFM-UHFFFAOYSA-N 391.920 4.577 0 50 GJAA O=C(c1ccco1)N1CCC(n2ccnc2-c2ccc(C(F)(F)F)cc2)CC1 72468002 BXHYXZKMJSPAJG-UHFFFAOYSA-N 389.377 4.639 0 50 GJAA C[C@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 117456069 VFPQXMWFNQLYMY-ZDUSSCGKSA-N 399.491 4.727 0 50 GJAA CCc1ccc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 169754715 HWAOVWFKVTUJEF-UHFFFAOYSA-N 393.462 4.533 0 50 GJAA C[Si](c1ccccc1)(c1ccccc1)N(Nc1ccccc1)c1ccccc1 169816849 WFPQAKUNKIYWLZ-UHFFFAOYSA-N 380.567 4.910 0 50 GJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([S@@](C)=O)c(F)c2)o1 170650612 KJLGXRCRAVAVHR-AKJBCIBTSA-N 378.469 4.614 0 50 GJAA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@H]1c1ccc2c(c1)OCCO2 241409036 NDZUGOXLYJEPGN-UZLBHIALSA-N 390.483 4.656 0 50 GJAA Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4ccc(Cl)s4)cn3)cc12 448513380 QCNVRBOUJLQUKY-UHFFFAOYSA-N 388.905 4.972 0 50 GJAA COc1cccc2[nH]cc(CC(=O)N3CCc4ccccc4[C@@H]3c3ccccc3)c12 485671291 WXWNQPXHKYVEHV-SANMLTNESA-N 396.490 4.893 0 50 GJAA Fc1cc(-c2noc([C@H](c3ccccc3)C3CC3)n2)ccc1OC1CCNCC1 823406534 SFQRYKATPSIJSZ-OAQYLSRUSA-N 393.462 4.548 0 50 GJAA CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1ccc2nnc(C(C)(C)C)n2c1 2325738964 JBUKGMWWTMTQBI-VQTJNVASSA-N 390.531 4.744 0 50 GJAA COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)o1 639089 ZMADVJFOYAPZRL-UHFFFAOYSA-N 386.400 4.573 0 50 GJAA biogenic CC(=O)Nc1ccc(OCC(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1 643542 JGIQZSBXRRFBNA-UHFFFAOYSA-N 381.378 4.852 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(-c2ccccc2)cc1 1199753 MEAAZOFEQWGSBH-OAQYLSRUSA-N 388.419 4.855 0 50 GJAA Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1231982 SBQJVYBXGXVGTI-UHFFFAOYSA-N 399.899 4.705 0 50 GJAA COc1ccc(NC2=C3C[C@H](C)CC=C3N(c3ccc(OC)cc3)C2=O)cc1 1422863 PGXBXPZFKWINTM-OAHLLOKOSA-N 376.456 4.730 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1 1457137 UYSXMJQCTOJVBZ-IAGOWNOFSA-N 390.483 4.550 0 50 GJAA CCCCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OCC 2844612 PHRBYZCRGDPCMI-QGOAFFKASA-N 383.419 4.748 0 50 GJAA CC(C)(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1 2944077 CFBZEZSLVHGSET-NBVRZTHBSA-N 384.545 4.731 0 50 GJAA CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C(C)=O)c1C 5020591 XWFNGUTVVAEKHX-UHFFFAOYSA-N 389.517 4.591 0 50 GJAA COc1ccc2nc(NC(=O)c3cccc4c3-c3ccccc3C4=O)sc2c1 5063823 CHQQXOARVYCIAK-UHFFFAOYSA-N 386.432 4.769 0 50 GJAA CC[C@@H](COC)NCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 12585147 UFLHFARUTJXMFG-KRWDZBQOSA-N 399.922 4.716 0 50 GJAA Cc1cccc(NC(=O)CCn2cnc(-c3ccccc3)c2-c2c[nH]c(C)n2)c1 65500437 OKBMIOZQYQFPBB-UHFFFAOYSA-N 385.471 4.586 0 50 GJAA Cc1ccc(C)c(NC(=O)CCn2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)c1 67446997 HPUIYBNGLZGMCU-UHFFFAOYSA-N 399.498 4.894 0 50 GJAA Cc1cc(-n2ccnc2[C@@H]2CCOC(C)(C)C2)ccc1NC(=O)c1ccco1 77519925 SNJWDGDJKLQRML-MRXNPFEDSA-N 379.460 4.699 0 50 GJAA Cc1ccc2c(C(=O)N3C[C@H]4CC[C@H]3C4)cc(-c3cnn(C(C)(C)C)c3)nc2c1 102666395 RSGQEEPNJUCOTH-WMZOPIPTSA-N 388.515 4.786 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 245255634 JMSLMZDZXIQXOY-UPVQGACJSA-N 386.451 4.946 0 50 GJAA COCCN(C)C(=O)c1ccc(-c2cc(C)c3ccc(SC)cc3n2)cc1 426513662 OMKNKYFMFBZJEO-UHFFFAOYSA-N 380.513 4.651 0 50 GJAA CC(C)Cc1ccc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)s1 1616074032 MXZHVYQXQJIHQF-MBSDFSHPSA-N 380.557 4.530 0 50 GJAA Cc1c(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)oc2ccccc12 2356166092 OCPDILUTWADCIH-WPSZSDGUSA-N 375.468 4.501 0 50 GJAA Cc1ccc(C)c(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 939616 UNRRFKWFVWNDHT-UHFFFAOYSA-N 394.780 4.758 0 50 GJAA Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(Br)c1 951041 DADAKJFIRMCPHI-UHFFFAOYSA-N 378.266 4.562 0 50 GJAA COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 1509037 CYOOIDIOLGFTMH-JOCHJYFZSA-N 396.450 4.563 0 50 GJAA O=C(Nc1ccc(I)cc1)c1ccccc1C(F)(F)F 2961290 UXYCHXFSCZPVCY-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 21791937 CTCRVSDYIFMUTC-LJQANCHMSA-N 386.879 4.815 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@H](O)C1 72435755 ANCIKZFVHDNNIU-SFHVURJKSA-N 382.891 4.521 0 50 GJAA Cc1cc(N2CCC(NCc3oc4ccccc4c3C)CC2)nc(C(C)C)n1 95501186 NWJVYADBCPYHDF-UHFFFAOYSA-N 378.520 4.722 0 50 GJAA CCOc1cc(Cl)c(Cl)c2cc(C(=O)Nc3ccccc3F)c(=O)oc12 196219254 NNKRDBUPWPWIOB-UHFFFAOYSA-N 396.201 4.890 0 50 GJAA CC(C)c1oc([C@@H]2CCCN2C(=O)c2cnn3c2CCC3)nc1-c1ccccc1 294997299 VKAIFZMDMWDWNA-IBGZPJMESA-N 390.487 4.585 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](c3ccc(Cl)cc3)C2=C1O 888088575 GJXDMGYEIUJJFG-IBGZPJMESA-N 391.858 4.681 0 50 GJAA C[C@@H]1CCN(Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)[C@@H](C(=O)O)C1 1875283618 XVIOIIKKYGMBEB-RDTXWAMCSA-N 389.927 4.644 0 50 GJAA O=C(Nc1cc(Br)ccc1Br)NC1CCCCC1 641844 VFWULYRRUZKVIS-UHFFFAOYSA-N 376.092 4.666 0 50 GJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2 688789 GFPGSHJEQJSHAG-UHFFFAOYSA-N 391.210 4.938 0 50 GJAA aggregator CC(C)CNC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1202370 UVHXMWJNESZKMJ-UHFFFAOYSA-N 386.495 4.843 0 50 GJAA CCOc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CCN(CC)CC1 6877677 SECZBSJKCYDWQX-UHFFFAOYSA-N 399.510 4.743 0 50 GJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccc3cc[nH]c3c2)C1 11815794 YLBCVTSQFAGTNY-FQEVSTJZSA-N 389.543 4.503 0 50 GJAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccccc2F)C1 12385185 TYQAGAXIOSJSTH-QHCPKHFHSA-N 398.478 4.554 0 50 GJAA Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1F 13320228 MRYDIKHESRBJBM-UHFFFAOYSA-N 396.293 4.791 0 50 GJAA COc1ccc(-n2c(=S)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 18121872 OFXSZXIZTOWHLK-UHFFFAOYSA-N 390.508 4.939 0 50 GJAA Cc1nn(CC(=O)O)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 20615545 BRCNHJIHXWGFIE-UHFFFAOYSA-N 385.345 4.663 0 50 GJAA CCN(CC)CCNc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn12 21799248 KDGXFTFXYBUINR-UHFFFAOYSA-N 397.542 4.895 0 50 GJAA O=C(Nc1ccc(Br)cc1)[C@@]1(c2ccccc2)CC1(Cl)Cl 35178301 AUDKPGBYOIKIMI-HNNXBMFYSA-N 385.088 4.903 0 50 GJAA Cc1cc(C(=O)O)ccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12 38879980 XUNQGAYPSJNQMX-UHFFFAOYSA-N 382.318 4.555 0 50 GJAA CC(=O)N[C@H]1C[C@@H](c2c(C)nn(-c3ccccc3)c2C)O[C@@H](c2ccccc2)C1 65531971 SFFGONPIWZSCDM-MZYLBHOOSA-N 389.499 4.587 0 50 GJAA CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 112919750 PCQYHFWVLXMGLM-SFHVURJKSA-N 388.920 4.580 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ccc(-n2cccn2)cc1 225519554 NPQZZLDIZWVGEH-IBGZPJMESA-N 388.515 4.807 0 50 GJAA Cc1nc(-c2cccc(C(=O)N(C)CC[C@H](O)c3ccccc3)c2)sc1C 299790632 BDSSVVKKAIBMHN-FQEVSTJZSA-N 380.513 4.623 0 50 GJAA COc1ccc([C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)cc1OC 917082214 LDCNKYQTWIOVHY-NSHDSACASA-N 377.366 4.839 0 50 GJAA C[C@H](c1cccnc1)N(Cc1ccc(-c2cnn(C)c2)s1)CC1CCOCC1 1875391400 NITZBSVRIYBXCI-QGZVFWFLSA-N 396.560 4.533 0 50 GJAA C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(OCCn2ccnc2)c1 2325725428 DZSODMPVGLJZCQ-LJQANCHMSA-N 377.488 4.560 0 50 GJAA Cc1ccnc(Nc2cccc(C(=O)N[C@H](C)c3cccc4cnccc34)c2)n1 2325840368 ZIBFFDPVLCAJPW-MRXNPFEDSA-N 383.455 4.568 0 50 GJAA O=C1c2ccccc2C(=O)N1CNc1ccc(Oc2ccc(Cl)cc2)cc1 640429 PFZOAFBNXMERGM-UHFFFAOYSA-N 378.815 4.798 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1I 671652 SUHRZHNXMZURLB-UHFFFAOYSA-N 386.620 4.897 0 50 GJAA O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 674552 KKZHCCRQXXPZLT-UHFFFAOYSA-N 389.691 4.539 0 50 GJAA Cc1cc(C)c(C(=O)Nc2ccc(I)cc2C)c(C)c1 940148 TWWVVCYHIGYBOF-UHFFFAOYSA-N 379.241 4.777 0 50 GJAA COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 1179364 VXGNRVYHFRKGLR-UHFFFAOYSA-N 389.757 4.637 0 50 GJAA Cc1cc(C)cc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 1182948 RVSRNCIPNWOLDO-UHFFFAOYSA-N 383.300 4.502 0 50 GJAA COc1ccc(-c2cnn(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1 1386156 NCAIWZFTPCMXJB-UHFFFAOYSA-N 382.876 4.907 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n(-c2ccccc2)n1 4880546 FTEXHJIUMHLPKW-UHFFFAOYSA-N 378.819 4.741 0 50 GJAA O=C(Nc1ccccc1)N[C@@H](COC(=O)Nc1ccccc1)c1ccccc1 5684844 LXAVDPKDXQFTOC-FQEVSTJZSA-N 375.428 4.798 0 50 GJAA Cc1csc(CNC(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 14965228 DJQDJYUIZZXMHZ-GOSISDBHSA-N 386.904 4.649 0 50 GJAA COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 19808837 GWVOWVWQOKXCMA-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA FC(F)(F)c1cc(Br)cc(Br)c1Br 63360964 AJKPMJZDKAYKNK-UHFFFAOYSA-N 382.799 4.993 0 50 GJAA COc1ccc2cc(CN3CCC[C@H](OC)C3)c(-c3cccc(C)c3)nc2c1 72408575 XPLSHYBTFIYQQQ-QFIPXVFZSA-N 376.500 4.830 0 50 GJAA CCN(Cc1ccc(C)o1)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 95497100 LGLIYNZBQXSDIZ-UHFFFAOYSA-N 383.492 4.658 0 50 GJAA C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)/C=C/c1nc2ccccc2o1 170613741 NQDOJYBFQVNTLL-BCPZQOPPSA-N 375.255 4.895 0 50 GJAA CCCCOc1ccc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 225587334 YGKOUDGBWLJAQU-UHFFFAOYSA-N 380.410 4.770 0 50 GJAA COc1ccc2c(C)cc3nn(CN4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c2c1 229996125 VEAGFMGVFNJHKI-QFBILLFUSA-N 396.560 4.948 0 50 GJAA O[C@@H](COc1ccccc1F)COC(c1ccc(F)cc1)c1ccc(F)cc1 1875306759 OMBGRZXHTDNEPE-IBGZPJMESA-N 388.385 4.650 0 50 GJAA Cc1cn2c(CCC(=O)OCc3ccc(Oc4cccnc4)cc3)csc2n1 2325730639 BEZMLLPJJFBBHO-UHFFFAOYSA-N 393.468 4.568 0 50 GJAA NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCCC2 705464 WZZQCDCKEAYPPR-UHFFFAOYSA-N 376.481 4.645 0 50 GJAA Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 867234 FPHWGPQSNNYHOX-UHFFFAOYSA-N 386.476 4.669 0 50 GJAA Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 1172626 WAGOIPZKCCKUBO-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA aggregator O=C(NCc1cccs1)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1 1406365 OSVNSMJGPXYEBY-UHFFFAOYSA-N 379.268 4.544 0 50 GJAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 2323916 YCCODHJKFGEXRN-UHFFFAOYSA-N 376.909 4.818 0 50 GJAA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(F)(F)F)oc2cc1O 5444887 DSAJLEKUBMUVMP-UHFFFAOYSA-N 388.345 4.634 0 50 GJAA biogenic CN(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 5451525 GWUKYMZLYPRAER-UHFFFAOYSA-N 383.451 4.527 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(C)=O)cc12 5672956 ILKJSZSUUHPZNU-UHFFFAOYSA-N 385.419 4.703 0 50 GJAA O=C(Nc1ccccc1)Nc1nnc(Cc2cccc(Br)c2)s1 8742922 CAQGEIWXRNCSIW-UHFFFAOYSA-N 389.278 4.535 0 50 GJAA COCc1cc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1OC 12073475 QXAUEQADFUCZDN-LJQANCHMSA-N 399.556 4.658 0 50 GJAA Cc1c(C(=O)N2CCCC2)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 12150625 FTJBIOTWPAXJSC-QGZVFWFLSA-N 392.528 4.725 0 50 GJAA c1ccc(C(c2ccccc2)c2noc3c2CN(Cc2cccnc2)CC3)cc1 20917373 XSKNZFCCUNSXNJ-UHFFFAOYSA-N 381.479 4.808 0 50 GJAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)on1 35511464 PTXUNGLOTVXIHT-OAHLLOKOSA-N 378.270 4.930 0 50 GJAA Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1Br 38537233 FTGLLUAQFRVJOF-UHFFFAOYSA-N 384.314 4.844 0 50 GJAA OCc1ccccc1-c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cn1 72138709 BBBQEZGKXPOIFN-UHFFFAOYSA-N 377.831 4.535 0 50 GJAA COc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cc1-c1ccccn1 165703202 ZEXMVQXEMMMDFD-UHFFFAOYSA-N 392.846 4.550 0 50 GJAA CC1(C)[C@@]2(c3ccccc3)[C@@H]3[C@@H](C=C(Br)[C@@H]3O)[C@@]12c1ccccc1 254838682 LXXURMUGPWKUQM-JTIOYYDXSA-N 381.313 4.802 0 50 GJAA COCC[S@@](=O)Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1 952845105 HPITYXSJWAAUCP-SZXMBJESSA-N 377.937 4.593 0 50 GJAA Cc1ccc([C@@H]2CNC[C@@H]2C(=O)Nc2cccc(-c3ccncc3)c2)c(Cl)c1 2325839678 AXAIJIVRMXTORE-SFTDATJTSA-N 391.902 4.652 0 50 GJAA C[C@@H](NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 818533 UUJXPTHUSLPCJX-MRXNPFEDSA-N 388.492 4.811 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 871594 LCQVRNLJPLTZRY-AYIBLLACSA-N 393.486 4.643 0 50 GJAA biogenic Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 951136 DODKUXMTNNLRNA-UHFFFAOYSA-N 384.435 4.665 0 50 GJAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2Br)cc1 1120543 WUTMKMVHXZERNJ-UHFFFAOYSA-N 393.306 4.743 0 50 GJAA C[C@H](C[S@@](=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072765 NBLZNHXBNSAFNA-HRFSGMKKSA-N 377.553 4.995 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc3ccccc23)NC(=S)N1 4286329 CLFYLSYEJKBDNZ-NRFANRHFSA-N 387.508 4.580 0 50 GJAA C[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)c1cccc2ccccc12 11772653 ZGGJNXDNAJSQNY-MZEUMTGBSA-N 382.467 4.636 0 50 GJAA CCc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1CC 17080464 MSQMCFXPQMVFDA-UHFFFAOYSA-N 393.727 4.551 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)no2)cc1OC 36620530 PRVOKYRPIYYABM-LJQANCHMSA-N 392.455 4.645 0 50 GJAA Cc1nc(C(C)C)sc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 91468459 JYKHCBFQBVOKMQ-UHFFFAOYSA-N 396.516 4.645 0 50 GJAA Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc2ccccc12 95519207 HXYHCZVDWWGZBJ-UHFFFAOYSA-N 383.499 4.567 0 50 GJAA CCn1nc(C(C)C)cc1C(=O)N(Cc1ccccn1)Cc1ccc(C)s1 215325719 JXJPMPMYTZWVIU-UHFFFAOYSA-N 382.533 4.634 0 50 GJAA Cc1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)cc2o1 225397067 GYLUDTYDEQXGEU-UHFFFAOYSA-N 389.386 4.780 0 50 GJAA CCn1cnnc1C1CCN(C(=O)[C@H]2CC23CCC(C(C)(C)CC)CC3)CC1 329096589 YGSJNVOCBSVLDT-FVRICEFQSA-N 386.584 4.637 0 50 GJAA C[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1)N(C)c1ccccc1 470503073 CYUDPPNJEZCCJK-RBUKOAKNSA-N 388.515 4.634 0 50 GJAA O=C(NC[C@H]1OCCc2ccccc21)c1cc(-c2ccco2)nc2ccccc12 733116218 DYFKXCOGYPUPJZ-HSZRJFAPSA-N 384.435 4.539 0 50 GJAA COc1ccc2c(c1)CN(C(=O)Cc1ccc(Cl)cn1)[C@@H](c1ccccc1)C2 786335405 VXPRJUBFOGRGGC-JOCHJYFZSA-N 392.886 4.612 0 50 GJAA CCOCc1nc(C)c(-c2nc(-c3ccsc3C(F)(F)F)no2)s1 904921112 FUHUSCKNDHWNDI-UHFFFAOYSA-N 375.397 4.785 0 50 GJAA COc1ccc(-c2ccc(CN3CCC[C@H](OCc4ccccn4)C3)o2)cc1 952981859 MWGCSQGUMVVWSO-NRFANRHFSA-N 378.472 4.531 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(C)cc3)cc12 637453 CEDPAKWXAPNMPR-UHFFFAOYSA-N 384.435 4.717 0 50 GJAA Cc1ccc(C)c(-c2nc(NC(=S)NC(=O)c3cccs3)sc2C)c1 653931 NRGJYVVBBRDAGD-UHFFFAOYSA-N 387.555 4.924 0 50 GJAA O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1nccs1 1020528 SCKYZVQMQRMCFF-UHFFFAOYSA-N 380.448 4.787 0 50 GJAA Cc1cc(C)c(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 1182974 KIDRKWVLLLCDPQ-UHFFFAOYSA-N 390.508 4.654 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc(C)c1C 1193777 JJAOKKBJDARJOV-UHFFFAOYSA-N 375.490 4.829 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc2ccccc12 2835354 BNXITWQIPPWYLX-UHFFFAOYSA-N 375.453 4.544 0 50 GJAA CCn1c(SCC(=O)c2ccc(F)cc2)nnc1[C@H](C)Oc1ccccc1 4842171 MRCJSILMWMDVFB-AWEZNQCLSA-N 385.464 4.552 0 50 GJAA COc1cc2c(cc1OC)CN(Cc1cccc(OCc3ccccc3)c1)CC2 4988706 ZKCQYAGMILDPDW-UHFFFAOYSA-N 389.495 4.841 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@@H]1CO 11948545 ZTFPGSSIUBRTAC-LJQANCHMSA-N 378.472 4.789 0 50 GJAA Cc1ccc(C2(c3noc(CN(C)CC[C@H]4CCCCO4)n3)CCCC2)cc1 12385599 DQHZWRJAAWYWKP-HXUWFJFHSA-N 383.536 4.629 0 50 GJAA Cc1nn(C)cc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 12385932 KXBNXXNQNBDPDW-FQEVSTJZSA-N 381.907 4.563 0 50 GJAA O=c1cc(C2CCN(Cc3cccc4c3sc3ccccc34)CC2)nc[nH]1 23542464 JHMUUAZZPWQOCB-UHFFFAOYSA-N 375.497 4.517 0 50 GJAA Cn1ccnc1C1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 91645104 GAWHOCBIGWTIPH-UHFFFAOYSA-N 376.460 4.624 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 132024309 BTYIPUVZHHJVID-LPHOPBHVSA-N 396.874 4.954 0 50 GJAA Cc1nc(C(=O)Nc2cccc3ccccc23)nn1-c1ccc(OC(F)F)cc1 261490503 ABLNDUPIHNYLLN-UHFFFAOYSA-N 394.381 4.583 0 50 GJAA COc1csc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)c1OC 1875284865 RJECAIHZGKXZHV-ZDUSSCGKSA-N 388.464 4.943 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CCCC[C@@H]3c3ccc(Cl)nc3)ccc2N1 2325789855 SHSSUIQDRCMFDC-GOSISDBHSA-N 398.894 4.769 0 50 GJAA O=C(c1nnc(-c2ccccc2)s1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325820955 KTXQAYHKMBETNN-UHFFFAOYSA-N 399.903 4.542 0 50 GJAA O=C(c1cncc2ccc(F)cc12)N1CCCO[C@@H](c2ccccc2Cl)C1 2325863948 AUSKUVJVCNZNEK-HXUWFJFHSA-N 384.838 4.631 0 50 GJAA COC1(c2ccccc2)CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 2356149008 FAMXPVLSVFWTDC-UHFFFAOYSA-N 392.524 4.512 0 50 GJAA COc1cc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c(OC)cc1Cl 939717 LCWZSWBXGXJXGY-UHFFFAOYSA-N 391.895 4.981 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1CCc1ccccc1 1066044 KPAJPWZWXWRDAW-UHFFFAOYSA-N 398.506 4.960 0 50 GJAA Nc1ccc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)sc2c1 1160617 TVIVPINICMILHI-UHFFFAOYSA-N 397.569 4.870 0 50 GJAA CCCC(=O)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 2701989 SAOOBNDBUGRMBS-LLVKDONJSA-N 379.498 4.985 0 50 GJAA CCCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C)c1CC 2764585 ITHBYUIKZKIBPH-OAHLLOKOSA-N 378.321 4.708 0 50 GJAA O=C(Nc1ccccc1)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3041269 VBFPALVWODRKFN-UHFFFAOYSA-N 388.254 4.847 0 50 GJAA CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1 4510538 ZLBCCIXLEPFSES-GOSISDBHSA-N 375.896 4.586 0 50 GJAA O=C(c1cccc(Cl)c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 4700637 PNDAWGRLMNAXKL-UHFFFAOYSA-N 382.935 4.824 0 50 GJAA Cc1cc(NCc2ccccn2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5323489 HLWPQUBCSUMWFP-UHFFFAOYSA-N 383.377 4.731 0 50 GJAA CCn1c(CSc2nc3ccc(Br)cc3[nH]2)nc2ccccc21 5569532 IBKHKHSCCRVHGG-UHFFFAOYSA-N 387.306 4.987 0 50 GJAA Cc1c([C@@H](C)NCc2c[nH]nc2-c2ccccc2)cnn1-c1cccc(F)c1 11663356 ADJDOZVSFPWUER-OAHLLOKOSA-N 375.451 4.561 0 50 GJAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cn(C2CCCCC2)nn1 15064707 PRCCXVZCMHLVFZ-QFIPXVFZSA-N 391.519 4.660 0 50 GJAA COc1cc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)ccc1F 19224032 WXZUZHOGNYMEOH-LJQANCHMSA-N 379.479 4.912 0 50 GJAA FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(C4CCCCC4)C3)CC2)c1 20514430 JLJJWPVFKRCCSM-NRFANRHFSA-N 395.513 4.625 0 50 GJAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1nc2ccc(F)cc2[nH]1 20537069 RRHNGCKUNMOHSM-UHFFFAOYSA-N 386.377 4.576 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(CC)cc3)cc2)n1 64800796 LOZXJISLZWJZCV-UHFFFAOYSA-N 375.476 4.775 0 50 GJAA CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2Cc2cccs2)c1C 65376443 XSSHDCAUSMZGPZ-UHFFFAOYSA-N 390.512 4.835 0 50 GJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CCCc1cccnc1)C2 67514534 OMUILQYSDMCYIM-UHFFFAOYSA-N 394.902 4.935 0 50 GJAA COc1cccc(-c2cc(C(=O)N(Cc3ccccc3Cl)C3CC3)[nH]n2)c1 91738383 YOFBVWPMMPOMSS-UHFFFAOYSA-N 381.863 4.544 0 50 GJAA C[C@@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100633793 UVNVIINRUYTRNB-FTTOULMASA-N 379.843 4.834 0 50 GJAA COc1cccc(N2C(=O)C(Nc3ccc(C)cc3C)=C(c3ccccc3)C2=O)c1 170159984 UCPXBAJTSOBFKT-UHFFFAOYSA-N 398.462 4.709 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H]1CCO[C@H](C)C1)CC2 170592988 VIBMWMUNMXVJMU-ZMPRRUGASA-N 387.545 4.528 0 50 GJAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(=O)c3ccccc3)CC[C@H]12 239038516 DIYGODQITXZLQE-ZGLUCXSVSA-N 396.571 5.616 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 239412405 SQQVUPWFLQNMHA-NEWJYFPISA-N 397.449 5.069 0 50 GJAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1ccc(-c2ccc(C)cc2)cc1 823060344 KABCDRXNMCGXSX-QHCPKHFHSA-N 375.468 4.563 0 50 GJAA C[C@H](N[C@H](C)c1nc(-c2ccncc2)cs1)c1ccc(N2CCCC2=O)cc1 1875256262 URVGMTGPBXOFND-JKSUJKDBSA-N 392.528 4.744 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@@H]2CCCCC[C@H]21 1875264178 OMLFJXBRYBRFJS-WMLDXEAASA-N 396.491 4.540 0 50 GJAA C[C@@H](Cn1nc(-c2ccc(Cl)nc2)nc1[C@H]1CCOC2(CCC2)C1)C1CC1 1875331398 YJWKQXPTKHKWNF-HOCLYGCPSA-N 386.927 4.856 0 50 GJAA O=C(Nc1c[nH]nc1-c1nccs1)N1CC2(CCCC2)c2c(F)cccc21 1875332528 WYVRNFTZXKDFDS-UHFFFAOYSA-N 383.452 4.536 0 50 GJAA CCCOc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccnn1CC1CCC1)[C@@H]2C 2325829361 HWIDJHUOQPLAHZ-IAGOWNOFSA-N 381.520 4.620 0 50 GJAA CC[C@@H](C)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 679619 BEMAKSZPAHLZRK-CQSZACIVSA-N 395.532 4.523 0 50 GJAA O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)c(Cl)c1 1100061 IYJFRUFYLXRXKF-UHFFFAOYSA-N 375.207 4.892 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)cc1OC 1200347 UGHVTDOCZBOMDR-UHFFFAOYSA-N 399.450 4.875 0 50 GJAA Cc1ccc(NC(=O)C[C@H](C(=O)O)[C@@H](C)c2ccccc2)cc1Br 1427158 NSJSFJIQHVKZSR-BBRMVZONSA-N 390.277 4.591 0 50 GJAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 2558480 RGMCWRNFVPOZOU-LBPRGKRZSA-N 388.533 4.751 0 50 GJAA CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 2984298 WTBXBDIZGDYHIX-UHFFFAOYSA-N 382.407 4.621 0 50 GJAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(Cl)ccc2Cl)cc1 3623699 JRZFZHMDODLMIS-QGZVFWFLSA-N 396.270 4.728 0 50 GJAA Cc1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1 3638875 OOOSGDLPYHLGTB-UHFFFAOYSA-N 397.272 4.984 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)O 4825156 RJVJOZRPKYNXKZ-QMMMGPOBSA-N 388.634 4.751 0 50 GJAA NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 4872272 XOBBRIFCERVGBZ-NBVRZTHBSA-N 376.843 4.618 0 50 GJAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2=CCCC2)C3)c1 12166010 NGVHRZLAXZCLQB-IBGZPJMESA-N 393.458 4.534 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccccn2)C1 14951749 GETIMNYTIRVFJY-IBGZPJMESA-N 386.451 4.609 0 50 GJAA COc1ccc2cc(CN3CCC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 72480911 RFBWQOJUDIAMME-LJQANCHMSA-N 382.891 4.521 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 100184627 XNVKQUIGVYDPJL-HOJOPBEUSA-N 381.781 4.617 0 50 GJAA O=C(Nc1ccc(OCCn2ccnc2)cc1)c1ccc(-c2ccccc2F)o1 2325723487 NVILGBSSMGFQPL-UHFFFAOYSA-N 391.402 4.614 0 50 GJAA CC(C)c1cnc(NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)s1 2325736790 ZXNAUQMNAPVXKA-JXMROGBWSA-N 379.485 4.892 0 50 GJAA O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1 993057 GOCLNBGPHGINKT-UHFFFAOYSA-N 383.806 4.993 0 50 GJAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)cc1 1157767 PSKZRIXFBNHTTQ-UHFFFAOYSA-N 379.287 4.920 0 50 GJAA CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 4866552 ZSGWLLOKLDFPQH-QFIPXVFZSA-N 397.430 4.547 0 50 GJAA CC(C)c1nc2cc(C(=O)N3CCC[C@H](C(=O)c4cccs4)C3)ccc2o1 11839303 HVWMANQHPVTZMU-HNNXBMFYSA-N 382.485 4.748 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)oc2C)n1 12306998 NOZTUVOGHPRSEJ-QHCPKHFHSA-N 385.467 4.869 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1C 13590238 NSXRYJLOQQRICO-ULBZPVTCSA-N 379.459 4.700 0 50 GJAA Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 16661390 YRBIHKLUEROIIX-UHFFFAOYSA-N 377.513 4.608 0 50 GJAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CCCCCC2)CC1 49573701 DGGICCAWDRWWOJ-UHFFFAOYSA-N 376.544 4.686 0 50 GJAA Cc1cccc(-c2nc(CN(Cc3ccccn3)C[C@H]3CCCO3)c(C)o2)c1 55042358 CUZYXMWFJRWURM-OAQYLSRUSA-N 377.488 4.535 0 50 GJAA Oc1ccc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)cc1Cl 55060979 GJLAZQAEEUJCCI-QFIPXVFZSA-N 388.914 4.673 0 50 GJAA COc1ccc([C@@H]2CCCN2C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cc1 248322544 WOFJVSWVXNJSSG-BUKVSMQUSA-N 389.923 4.624 0 50 GJAA COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 253412798 SBDJBBODLHKLJI-LJQANCHMSA-N 398.414 4.910 0 50 GJAA biogenic O=C(O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 400032397 UDHYFSZTGYDKGE-UHFFFAOYSA-N 379.456 4.560 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 827693228 AIVBACUAXSXEFO-OAHLLOKOSA-N 398.890 4.862 0 50 GJAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 913232945 PQHGEKVTONDBEO-KPZWWZAWSA-N 391.298 4.762 0 50 GJAA CCC1(NC(=O)c2c(NCCOC)noc2-c2ccc(Cl)cc2)CCCC1 1704335676 DJLPTWAHKSXRKM-UHFFFAOYSA-N 391.899 4.506 0 50 GJAA CC(C)SCc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 1776111081 VIEMBQCBPMXEBM-UHFFFAOYSA-N 376.551 4.704 0 50 GJAA C[C@H]1[C@@H]2CN(c3nnc([C@@H](C)Oc4ccc5ccccc5c4)n3CC3CC3)C[C@H]12 2325839749 DARQTOIJJWTTHZ-AJAKECSLSA-N 388.515 4.683 0 50 GJAA O=C(NC1(C(=O)O)CCCCC1)c1[nH]ccc1-c1c(Cl)cccc1Cl 2325852059 REPGDDCWKTXIRY-UHFFFAOYSA-N 381.259 4.506 0 50 GJAA Cc1ccc(NC(=O)COc2ccc(Br)cc2)c(Br)c1 753374 UZAPMZSYMPSVAR-UHFFFAOYSA-N 399.082 4.538 0 50 GJAA O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccc(Cl)cc1Cl 755702 NMYWFIAGPGPZEQ-VGOFMYFVSA-N 396.071 4.673 0 50 GJAA Cn1c2ccccc2c2nnc(SCc3cccc(Br)c3)nc21 1130068 CZBBEPOCFBIYSK-UHFFFAOYSA-N 385.290 4.571 0 50 GJAA O=C(O)c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 1178487 XPULRGPYHUIPMG-UHFFFAOYSA-N 384.229 4.657 0 50 GJAA COc1ccc(C)cc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 1791544 VKRQWBICKNJKOX-UHFFFAOYSA-N 377.440 4.714 0 50 GJAA Cc1cc(OCCCSc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1Cl 6459190 MWCZFALDKMLSDK-UHFFFAOYSA-N 386.904 4.960 0 50 GJAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2ccco2)C1 8738059 XFJJLYUAPRNUJS-QGZVFWFLSA-N 389.842 4.880 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 11934109 AFTMKDADSXRGPO-SFHVURJKSA-N 390.439 4.510 0 50 GJAA COc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c(OC)c1OC 19720419 JBQUAGNGMDWXIB-NRFANRHFSA-N 377.484 4.786 0 50 GJAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1 20602431 RLTUUJAUKIOZRM-QHCPKHFHSA-N 388.442 4.548 0 50 GJAA c1ccc(-c2ncn([C@@H]3CCNC3)c2-c2ccc(OCc3ccccn3)cc2)cc1 65526269 FRTGLEGSPLWRKO-JOCHJYFZSA-N 396.494 4.726 0 50 GJAA CN(C)c1ccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](C(C)(C)C)C2)cc1 170608977 IXRHVZWWQNFNKX-OAQYLSRUSA-N 394.588 4.652 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cccc(O)c1)CC(=O)O2 253405732 IKRXILKJBRMUDZ-LJQANCHMSA-N 398.414 4.915 0 50 GJAA biogenic Cc1nccc(C2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)n1 426705620 GXFWJVCPFXHAOC-UHFFFAOYSA-N 375.447 4.611 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CC[C@@H]4CCC[C@H]43)nn2-c2ccccc2)cc1 428526114 HBOZWQVCGPYUKV-HTAPYJJXSA-N 387.483 4.563 0 50 GJAA O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2cccc(F)c2)cc1 826618806 GPEYRLFRKOFMQH-OAQYLSRUSA-N 378.447 4.653 0 50 GJAA C[C@@H]1C(C(=O)N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)=Cc2ccccc21 1875263002 PCKDFWKSHDJAMD-SFHVURJKSA-N 396.490 4.515 0 50 GJAA CCN(Cc1ccc2[nH]ccc2c1)Cc1cn2ccc(Br)cc2n1 2325736153 LZBMZSOJGNRPTI-UHFFFAOYSA-N 383.293 4.600 0 50 GJAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(N)=O)C1 651815 UQHDLYYJJJIRGN-CYBMUJFWSA-N 388.533 4.850 0 50 GJAA C[C@@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccccc1 998018 AGMHPWQEGVBHOU-LLVKDONJSA-N 393.336 4.906 0 50 GJAA CC(C)(C)c1ccc([C@@]23OC(=O)C4(CCCC4)[C@@H]2OC(=O)C32CCCC2)cc1 1080882 IKFFIXROKMWUGO-MHECFPHRSA-N 382.500 4.782 0 50 GJAA biogenic CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)c1 1165161 ZSDOPGCQKBEQLO-HSZRJFAPSA-N 387.435 4.734 0 50 GJAA O=S(=O)(c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 1216213 GQPBLJYFQIORFZ-HSZRJFAPSA-N 386.476 4.933 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)oc2cc(Br)c(O)cc12 1242463 DXVJHIBEXPVCDQ-UHFFFAOYSA-N 391.217 4.753 0 50 GJAA CCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1 3017624 MMJZMJYHLOUXFC-UHFFFAOYSA-N 387.435 4.623 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1 11821861 IBKNCLHXLJMFNE-JOCHJYFZSA-N 381.564 4.944 0 50 GJAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1 12307049 YZSCVGMHSCGXIL-SFHVURJKSA-N 379.891 4.621 0 50 GJAA CC1(C)Cc2nc3sc4c(=O)n(Cc5ccccc5)cnc4c3cc2CS1 17440285 VNSJFMLRZFYOMY-UHFFFAOYSA-N 393.537 4.622 0 50 GJAA CC(=O)Nc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1C 125420637 GNJZWHCFHBVSLE-UHFFFAOYSA-N 397.862 4.500 0 50 GJAA CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239439151 ZMSHIFMKDNYFDC-CWLKWCNXSA-N 384.501 4.619 0 50 GJAA COc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)Cc2scnc2C)cc1 824690479 YARYWWQLXZNSFI-MRXNPFEDSA-N 395.528 4.933 0 50 GJAA CN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1cc(-c2ccccc2)no1 952962221 COKPXSQCIIDOAY-UHFFFAOYSA-N 395.466 4.683 0 50 GJAA Clc1ccc([C@@H]2CN(C3CCN(Cc4ccco4)CC3)CCO2)cc1Cl 1506417601 AVCZCIPVSDUDDH-FQEVSTJZSA-N 395.330 4.624 0 50 GJAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cccc(CC(F)(F)F)c1 1857680190 DPBCONHXBFDXCV-BDTNDASRSA-N 389.461 4.750 0 50 GJAA O=C(N[C@]1(Cc2cccc(Cl)c2)CCOC1)c1ccc(-c2ccncc2)cc1 1875359145 WAYBNUWIWRQEGF-QHCPKHFHSA-N 392.886 4.534 0 50 GJAA CC1(C)C[C@@H](NC(=O)c2cccs2)C[C@@](C)(CNC(=O)c2cccs2)C1 668834 POELBCUWPASYPJ-JLTOFOAXSA-N 390.574 4.554 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 753558 DYYKZPPGHGAPTG-QGZVFWFLSA-N 397.302 4.745 0 50 GJAA O=C(CSCc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 2964825 JELQKXZYTIPBLB-UHFFFAOYSA-N 395.355 4.575 0 50 GJAA COc1cccc(OCCOCCOc2cccc(Oc3ccccc3)c2)c1 2991113 YJYUCQIIAHOUPV-UHFFFAOYSA-N 380.440 4.962 0 50 GJAA CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8586644 PWHPUCDIBIDUEK-GOSISDBHSA-N 398.503 4.999 0 50 GJAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 12302753 DFIWKMJATIYCEI-LJQANCHMSA-N 380.423 4.986 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3cn(C)nc3C)c(-c3ccccc3)n2)c1 12573440 CQIGKRXUCVTIKD-UHFFFAOYSA-N 399.542 4.830 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cc(O)c3ccccc3n2)C1 19731603 ONIBPRJWWZXPDC-INIZCTEOSA-N 392.524 4.757 0 50 GJAA CC(C)c1ccc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cc1 91943634 HZDMZWXTGRGKSX-UHFFFAOYSA-N 391.559 4.610 0 50 GJAA Cc1ccc(N2CCCC2=O)cc1NC(=O)N1CCCCC[C@@H]1c1ccco1 96140289 FXFDNQNSVCYWCJ-LJQANCHMSA-N 381.476 4.864 0 50 GJAA C[C@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nc(C2CC2)no1 96149279 OYERXBGDDZHEQR-LBPRGKRZSA-N 384.461 4.715 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1nnc2n1CCCC2 181499325 QMNFKCUYKOYWJP-AWEZNQCLSA-N 394.306 4.680 0 50 GJAA Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@@H](c1ccccc1Cl)C2 299782626 VYBLLBQSWDTKCU-LJQANCHMSA-N 397.883 4.887 0 50 GJAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(F)cccc2OC)cc1 888096068 QVGWUVMTLUYDAT-OAQYLSRUSA-N 378.403 4.614 0 50 GJAA O=C([C@H]1CCOC2(CCC2)C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 895763073 AANSSGFYNGOUSR-HNNXBMFYSA-N 388.895 4.537 0 50 GJAA Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)OCCc1sccc12 1704298592 JPSWILACANSIFF-UHFFFAOYSA-N 376.909 4.806 0 50 GJAA Cc1cccc(Cl)c1OCc1nc(Cc2ccc3c(c2)OC(F)(F)O3)no1 1875326272 DZMFZVXWPJKHCP-UHFFFAOYSA-N 394.761 4.523 0 50 GJAA CC1(C)C[C@@H](NC(=O)c2ccc(-c3ccncc3)cc2)c2ccc(F)cc2O1 2325839885 HXAXUZZJPKDIOO-HXUWFJFHSA-N 376.431 4.920 0 50 GJAA Cc1ccc(S[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)O)cc1 732238 AYMBZVKWIIAWAP-INIZCTEOSA-N 379.275 4.576 0 50 GJAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)c2ccccc12 1135071 XGUQVPQGYVMXSD-UHFFFAOYSA-N 399.313 4.658 0 50 GJAA COc1ccc(-c2coc3c(C)c4oc(=O)c(CCC(=O)O)c(C)c4cc23)cc1 2137172 SHLLZCKYJGBICK-UHFFFAOYSA-N 392.407 4.849 0 50 GJAA biogenic COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1C 2884782 RZBAONYSXGBQKI-UHFFFAOYSA-N 398.322 4.690 0 50 GJAA Cc1cccc(CC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccn2)c1 11938165 KTDWPLYZORZLDO-VWLOTQADSA-N 381.479 4.588 0 50 GJAA COc1ccc(CNCC[C@@H]2[C@H](C)CN(C)[C@@H](C)[C@@H]2Cc2ccccc2)cc1 13562065 YGTJKNIFCYOPGW-GRADPPADSA-N 380.576 4.620 0 50 GJAA Cc1ccccc1Oc1ncccc1CNCc1cc2c(cc1Cl)OCO2 55041961 ZIOYIPHZXHOFSZ-UHFFFAOYSA-N 382.847 4.854 0 50 GJAA CN1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccccc3)C[C@H]1CC2 100564413 GRMDVEKHWGLKTF-NHCUHLMSSA-N 385.511 4.603 0 50 GJAA CN(C(=O)C1CCCCCC1)[C@@H]1CCCN(C(=O)C2CCCCCC2)CC1 161663596 SUCDDXVIOFQGIZ-OAQYLSRUSA-N 376.585 4.767 0 50 GJAA Cc1ccc(-c2csc(-c3ccc(CNC(=O)C(F)(F)F)cc3)n2)cc1 170526204 NIPSJCZJDVNUGZ-UHFFFAOYSA-N 376.403 4.964 0 50 GJAA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 239339069 LQRFBQYOWQVTGJ-RJYYBVGHSA-N 398.300 5.444 0 50 GJAA COc1ccc(C(=O)Nc2cccc(CNC(C)(C)c3c(C)noc3C)c2)cc1 285581546 VDFLMJNGWTWPNB-UHFFFAOYSA-N 393.487 4.577 0 50 GJAA CCc1oc2c(NC(=O)N3Cc4cnc(C(C)(C)C)nc4C3)cccc2c1C 299764644 BGJVURNGSCIOLT-UHFFFAOYSA-N 378.476 4.939 0 50 GJAA CC(=O)Nc1ccc2nc(CN3CCCC[C@@H]3CCc3ccccn3)ccc2c1 820592990 YULNIEAFJKAFPW-HSZRJFAPSA-N 388.515 4.576 0 50 GJAA CCOc1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)cc1 913214 IZNIQWWWYSHNBT-NRFANRHFSA-N 394.496 4.506 0 50 GJAA CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccccc1O 951942 PERHHQIVQFRJJP-UHFFFAOYSA-N 387.233 4.623 0 50 GJAA COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2F)no1 1059966 AVQYEFZBTKXHJG-UHFFFAOYSA-N 389.386 4.804 0 50 GJAA CCCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccccc1 2101403 ZGNBALULRNCGOF-UHFFFAOYSA-N 380.469 4.938 0 50 GJAA O=c1nc(/C=C/c2ccc(OCc3ccccc3F)cc2)cc(C(F)(F)F)[nH]1 4576320 JKTTZCICXWPWSZ-VMPITWQZSA-N 390.336 4.677 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2c(F)cccc2Cl)CC(=O)N1 4916883 IMWCINLLQPFMFA-AWEZNQCLSA-N 379.859 4.623 0 50 GJAA CCCCOC(=O)c1ccc(C(=O)OCCCC)c(C(=O)OCCCC)c1 5514055 RJIFVNWOLLIBJV-UHFFFAOYSA-N 378.465 4.557 0 50 GJAA in-vitro CC(C)Oc1ccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 5690079 BGJNEQDIGHFPJJ-SFHVURJKSA-N 387.505 4.915 0 50 GJAA Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)o1 14971307 WEHQBSLMJJBQPN-UHFFFAOYSA-N 392.455 4.647 0 50 GJAA CC[C@H](C)N(Cc1ccccn1)C(=O)c1cccc(NCc2cccnc2)c1C 55154767 JHGKMXXHGCMHOD-SFHVURJKSA-N 388.515 4.838 0 50 GJAA Cc1cc(C)c2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 63871962 OGBBUDJTXNJTAG-UHFFFAOYSA-N 378.520 4.951 0 50 GJAA CC1(C)C[C@H](NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CCO1 151126641 QIAVMWIGYBEGQH-OAHLLOKOSA-N 375.856 4.606 0 50 GJAA C[C@H](c1ccccc1)N1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 170629030 LLTGSTOOOURPKS-LJQANCHMSA-N 394.559 4.705 0 50 GJAA C[C@@H](c1nccs1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 185747190 KOVMPFOWKRDXHP-LBPRGKRZSA-N 391.949 4.530 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2C)cc1 239439111 ZLHNHDHHBZTYSM-XLAORIBOSA-N 396.512 4.532 0 50 GJAA C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]1c1ccsc1 248086009 DOHSKNGACPBCAY-PBHICJAKSA-N 385.558 4.542 0 50 GJAA CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)[C@H]1O 249698761 WJBPXFYDIOPTIY-FOVBHJOSSA-N 378.516 4.519 0 50 GJAA CSc1cccc(CN(C)C(=O)c2cccc(-c3n[nH]c(C(C)C)n3)c2)c1 299796735 NSFZDFIKLGNMGC-UHFFFAOYSA-N 380.517 4.589 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506403084 QTCCJCNLFOWCBX-JOCHJYFZSA-N 392.524 4.704 0 50 GJAA COc1ccc(COC[C@H](O)CN2CC3(CCCCC3)[C@H]2c2ccccc2)cc1 1875344413 KDGRAKHXWRIJMC-ISKFKSNPSA-N 395.543 4.580 0 50 GJAA O=C(Nc1sc2c(c1C(=O)N1CCCCCC1)CCC2)c1ccccc1F 716602 QCDNJWJMSWBGIU-UHFFFAOYSA-N 386.492 4.644 0 50 GJAA CCN(C(=O)c1ccc(Cl)cc1Cl)c1nnc(-c2ccncc2)s1 792834 WLUPVJYULNGSIE-UHFFFAOYSA-N 379.272 4.574 0 50 GJAA Cc1nc2sc(C(=O)Nc3cccc4cccnc34)c(N)c2c(C)c1Cl 1080615 DNWZSOLSWORHCI-UHFFFAOYSA-N 382.876 4.949 0 50 GJAA Cc1sc(NC(=O)c2ccc(Br)o2)nc1-c1ccc(F)cc1 1285017 YRXPROBVAVASFX-UHFFFAOYSA-N 381.226 4.865 0 50 GJAA Cc1cccc(CSCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 2843299 RMSAJGYWHTZFJZ-UHFFFAOYSA-N 390.357 4.514 0 50 GJAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3623697 DQFCZGPNSMFEKZ-FQEVSTJZSA-N 383.488 4.719 0 50 GJAA CC(=O)n1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nc2ccccc21 4741818 SIPWMOLQEWEKGW-CQSZACIVSA-N 389.480 4.969 0 50 GJAA CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 4794581 XFCXFYZMWWZMQD-GOSISDBHSA-N 396.531 4.895 0 50 GJAA CC(C)Cn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc2c1=O 7000982 RYIOZTMZNIIVKQ-UHFFFAOYSA-N 383.879 4.633 0 50 GJAA COc1cccc(-c2nc3cc(F)ccc3cc2CNCC2(O)CCCCC2)c1 12079272 AKSCSBNGQUACST-UHFFFAOYSA-N 394.490 4.834 0 50 GJAA CC1(COc2cccc(CN(C(=O)c3cccc(F)c3)C3CCCC3)c2)COC1 12470239 AOJWYUKBCBPEIY-UHFFFAOYSA-N 397.490 4.826 0 50 GJAA Cc1ccc2oc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(C)c2c1 14969062 YADBSTUWMQZLKY-UHFFFAOYSA-N 383.875 4.827 0 50 GJAA COc1cccc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1OC 15079322 RROSWBKVAQQGSR-OAQYLSRUSA-N 391.515 4.674 0 50 GJAA Cc1csc([C@H](C)N(C)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)n1 23145176 TXGAHFSQTLWBOF-YJBOKZPZSA-N 391.968 4.679 0 50 GJAA O=c1c2ccc(C(F)(F)F)cc2ncn1CC[C@@H]1CCCCN1C1CCCC1 32541451 SPEAAJOVSQPPCT-KRWDZBQOSA-N 393.453 4.603 0 50 GJAA CCC1(CC)CCN(Cc2ccccc2-c2nc(O)cc(C(F)(F)F)n2)C1 48194496 YFRGCDWPOCVZOW-UHFFFAOYSA-N 379.426 4.880 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4c4cccc(F)c4)CC3)oc12 170602648 INDROQYSDGIJCZ-RBUKOAKNSA-N 378.447 4.785 0 50 GJAA Cc1c(C(=O)Nc2cccc(Oc3ccccn3)c2)cnn1-c1ccccc1F 173593466 VCSBPMAMNGJFLQ-UHFFFAOYSA-N 388.402 4.759 0 50 GJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 180820440 KLNNVMMNVNIJPW-LJQANCHMSA-N 390.491 4.633 0 50 GJAA FC(F)(F)c1cc(Cl)c2nnc(COc3ccccc3C(F)(F)F)n2c1 263640107 XWVQOEJQJACKGN-UHFFFAOYSA-N 395.690 4.999 0 50 GJAA O[C@@]1(c2ccccc2)CCN(Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@@H]21 952973917 KLDUVWNNUWTBNQ-ISJGIBHGSA-N 387.527 4.525 0 50 GJAA C[C@H](CN1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1)c1ccccc1 2100480671 OGYIZZAMAWFMFX-QGZVFWFLSA-N 379.548 4.563 0 50 GJAA O=C(CSc1cccc2cccnc12)Nc1ccc(OC(F)(F)F)cc1 718007 NOHXAABDYWXZIV-UHFFFAOYSA-N 378.375 4.864 0 50 GJAA Cc1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1103043 TWFXDERARNYCQW-UHFFFAOYSA-N 378.284 4.858 0 50 GJAA COc1cccc(C(=O)NCC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)c1 1109407 RWCALBVMIFKSOO-XMMPIXPASA-N 381.516 4.651 0 50 GJAA CCc1cc(I)ccc1NC(=O)c1cccc(Cl)c1 1113203 KCICXLSUCQXFBX-UHFFFAOYSA-N 385.632 4.759 0 50 GJAA COC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2cnc3ccccc3c12 2529407 MWPXYQBHUCWOME-UHFFFAOYSA-N 380.403 4.658 0 50 GJAA CCOc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1Cl 2887334 WQVBQHIOKPCNNS-UHFFFAOYSA-N 380.625 4.670 0 50 GJAA COc1ccc(CNCC[C@@H]2[C@H](C)CN(C)[C@H](C)[C@@H]2Cc2ccccc2)cc1 4696767 YGTJKNIFCYOPGW-OUYJLQGDSA-N 380.576 4.620 0 50 GJAA COc1cc(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)ccc1O 12300906 MFUXLTPHNGYNQQ-IBGZPJMESA-N 375.468 4.649 0 50 GJAA Cc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Cl)cc2)C1 12596181 OHOFQXVKBFHREP-HNNXBMFYSA-N 390.936 4.981 0 50 GJAA CC[C@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)cc1 20385876 SNMTVSOFDHGHER-KRWDZBQOSA-N 385.552 4.854 0 50 GJAA Cc1ccc(C)c(NC(=O)c2ccn([C@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 20617314 AVHYUYIDRIOXSR-GOSISDBHSA-N 390.487 4.569 0 50 GJAA C[C@@H]1CO[P@](=O)([C@@H](NCc2ccccc2)c2ccc(Br)cc2)O1 22014788 MUZKRFLNJBGJNT-QHXAMGISSA-N 396.221 4.866 0 50 GJAA Cc1ccccc1CN(C)[C@@H](c1ccccc1)c1nnnn1-c1ccccc1C 55447618 ISBJXJMWZQGYLO-QHCPKHFHSA-N 383.499 4.501 0 50 GJAA CCc1nc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)no1 67755961 HLIWENZXCHOLMQ-UHFFFAOYSA-N 386.455 4.512 0 50 GJAA Cc1ccsc1CN1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95373290 QGZBERDYRMOFRB-UHFFFAOYSA-N 382.573 4.504 0 50 GJAA Cc1nc2cc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)ccc2n1C 119193332 NIMYDYBMKVHVEO-UHFFFAOYSA-N 376.847 4.849 0 50 GJAA Cc1ccc(C(=O)CC(=O)c2cc(Br)ccc2OC(C)C)c(O)c1 216630349 OADQBBGVBBRMOU-UHFFFAOYSA-N 391.261 4.706 0 50 GJAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC([C@@H](O)c2cccs2)CC1 1506410514 ULDXIEHNWMWFIR-HXUWFJFHSA-N 383.469 4.719 0 50 GJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]21 1704345297 WRDBHWQFBPXUGZ-OUPRXKBMSA-N 376.500 4.663 0 50 GJAA C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1c1ccc(O)cc1 1875328509 WBVIBRXJRRRYJP-VLIAUNLRSA-N 395.890 4.702 0 50 GJAA O=C(O)c1c(Br)c2ccccc2n1CCOc1ccccc1Cl 1875375346 ADYMWHBYLZCCFV-UHFFFAOYSA-N 394.652 4.834 0 50 GJAA C[C@H](NC(=O)c1cnc2onc(C3CC3)c2c1)c1cccc(C(F)(F)F)c1 2325710375 APDHSZZJSJEZDZ-JTQLQIEISA-N 375.350 4.610 0 50 GJAA Cc1cc(C)c(OCc2ccccc2)c(-c2cnn(-c3ncccc3C(=O)O)c2)c1 2325853047 BGUGDBAWSPMORT-UHFFFAOYSA-N 399.450 4.828 0 50 GJAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cncc(Br)c1 1183486 LBQRBEQOZZWKMB-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA COC(=O)CSc1nc(SCc2ccccc2Cl)nc2c1CCCC2 1398532 QVJKMOIEFZZPKW-UHFFFAOYSA-N 394.949 4.566 0 50 GJAA COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1F 2234065 LQCZFJWQVPACBF-UHFFFAOYSA-N 381.432 4.967 0 50 GJAA CCCCOc1c(Br)cc(CNCc2ccccc2)cc1OC 2863725 RONUWPYNGHNAOG-UHFFFAOYSA-N 378.310 4.926 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Cl)c1Cl 4912876 RRNZXLNVWJWOEL-CQSZACIVSA-N 384.303 4.850 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Cl)c1Cl 4912881 RRNZXLNVWJWOEL-AWEZNQCLSA-N 384.303 4.850 0 50 GJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 6783476 OVUVFVRYWSHQHW-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CCc1ccccc1 12449133 LNIQBTLRDWUHSH-JOCHJYFZSA-N 387.483 4.520 0 50 GJAA CSc1ccccc1OCc1cc(C(=O)NC[C@H]2CC23CCCCC3)no1 12466080 GIOSSMMQXHZMDO-OAHLLOKOSA-N 386.517 4.676 0 50 GJAA Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 37868707 NCHCGISPCBKUDS-UHFFFAOYSA-N 382.471 4.836 0 50 GJAA O=C(CCC1CC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67934891 VQVLTAILYDTFNI-UHFFFAOYSA-N 394.496 4.580 0 50 GJAA O=C(Nc1cccc(Oc2ccncc2)c1)N1CCC(Oc2ccccc2)CC1 112211444 NCKXSKIWMXVNOX-UHFFFAOYSA-N 389.455 4.949 0 50 GJAA CC[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1nc(C(F)(F)F)cs1 174841803 JXTUDJVHXYPHJH-LLVKDONJSA-N 381.379 4.698 0 50 GJAA Fc1cccc(F)c1-c1nc(CN2CCC[C@H]2c2cccc3c2OCCO3)co1 443623390 CRJIKVLPRGOSSR-SFHVURJKSA-N 398.409 4.728 0 50 GJAA CC(C)N(C(=O)c1ccccc1-c1ccc(OC[C@H]2C[C@@H]2C(=O)O)cc1)C(C)C 1565513456 DYPNGXWAIRYDNP-GCJKJVERSA-N 395.499 4.712 0 50 GJAA O=C(CCCc1ccc(O)cc1)NCc1ccc(COc2ccccc2)cc1 1875258532 CFWXDIULAGPRMW-UHFFFAOYSA-N 375.468 4.610 0 50 GJAA C/C=C/C[C@@H](NC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)C(=O)O 2325876348 RXJAIRYTEJERNO-RCAFFNEUSA-N 396.245 4.949 0 50 GJAA CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cs1 650796 GQWMNOSEPCGKTA-NSHDSACASA-N 377.531 4.926 0 50 GJAA Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 1072503 ILFUUPZQHUQVBJ-LBPRGKRZSA-N 396.796 4.659 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 1172719 DHOSXVBVPVOICK-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 1184197 NWMZTGJVJAQHGG-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 1422996 COONSQWVSRRGCK-JTHBVZDNSA-N 393.870 4.921 0 50 GJAA COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 2415085 HMDPIJFQSCMDNC-LLVKDONJSA-N 392.238 4.842 0 50 GJAA O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2c(Cl)cccc2Cl)n1 2795603 GGTVATAEOLBMDX-UHFFFAOYSA-N 398.196 4.757 0 50 GJAA Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)cc1 2796575 XARFOFYDOBLFQT-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA CCOc1cc(C(=O)NCCCCc2ccccc2)cc(OCC)c1OCC 4553151 IJXRPIIDBBJXNI-UHFFFAOYSA-N 385.504 4.635 0 50 GJAA Cc1ccc(C)c(-c2cc(C(=O)N(C)C)c3cc(Br)ccc3n2)c1 6844773 MXAXHZWPVOGNGX-UHFFFAOYSA-N 383.289 4.983 0 50 GJAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CCO2 12003941 OPYYGOGXXGZZKL-HSZRJFAPSA-N 395.449 4.636 0 50 GJAA Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21790520 AOOXNNLTGOEIJD-UHFFFAOYSA-N 380.801 4.977 0 50 GJAA Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1C 67513466 IJFCKDZMGLPLBP-HXUWFJFHSA-N 378.516 4.833 0 50 GJAA O=C(O)[C@@H]1CCC2(CCC2)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1857779968 MWVDSMGRKREILV-MRXNPFEDSA-N 391.467 4.655 0 50 GJAA Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)COCC4)s2)cc1F 1875337034 PKIHKNIJFIGFPO-UHFFFAOYSA-N 382.460 4.506 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 771829 ZYSWBDASMRTCDG-YCIYHOANSA-N 399.877 4.911 0 50 GJAA biogenic Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)cc1Br 1064556 CXKGQYPQJVPSDT-UHFFFAOYSA-N 391.290 4.693 0 50 GJAA Cc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1 1081001 WGPDUTXOBVXSRI-UHFFFAOYSA-N 378.435 4.547 0 50 GJAA CCOc1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 1143223 GHQKVZXFSDQFMZ-UHFFFAOYSA-N 387.479 4.863 0 50 GJAA Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 1163954 VVGLSTCGAITVDQ-AREMUKBSSA-N 399.490 4.619 0 50 GJAA O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccc1Cl 2190824 AQAGQNSJOLUGDC-UHFFFAOYSA-N 379.843 4.807 0 50 GJAA Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1 2310374 DVSICBXUVXSQOL-UHFFFAOYSA-N 379.485 4.594 0 50 GJAA COc1ccc(OC)c(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1 2765878 GEEBAAHFKIRPDX-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 3069899 RTDGAUCHLGVYQJ-UHFFFAOYSA-N 384.568 4.817 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(Cl)c2)cc1 4576726 AVSXIDQKGYQAQO-DEDYPNTBSA-N 394.858 4.959 0 50 GJAA CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 14976923 PAEBEUZTAPIOIO-UHFFFAOYSA-N 384.867 4.597 0 50 GJAA in-vitro Cn1c([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)nc2ccccc21 15075332 PBHZKBHHYMHXQS-QFIPXVFZSA-N 399.523 4.659 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)NC1CCN(Cc2ccccc2)CC1 17077335 WZPWAOIVUGTNCY-UHFFFAOYSA-N 378.303 4.780 0 50 GJAA O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 28296179 LVNQTQMMTAURPE-HXUWFJFHSA-N 395.890 4.562 0 50 GJAA CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 66103732 IQIKXZMPPBEWAD-CQSZACIVSA-N 380.410 4.566 0 50 GJAA Cc1ccc(-c2cccc(NC(=O)N3CCC[C@@H](c4nc(C)n[nH]4)C3)c2)cc1 97575097 RAYRWJRIAABQQJ-LJQANCHMSA-N 375.476 4.500 0 50 GJAA Cc1c(F)cccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 175331407 STMFTNOGNRAKPH-UHFFFAOYSA-N 398.747 4.639 0 50 GJAA COc1cccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 248248392 NRHSLASWKBQKOJ-IRLDBZIGSA-N 391.858 4.986 0 50 GJAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1cnc(Cc2ccccc2)s1 444420638 FJTNNACIMAGAOS-UHFFFAOYSA-N 387.468 4.520 0 50 GJAA CC(C)C(=O)Nc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 820638492 PEVBPGQIHZOUCR-UHFFFAOYSA-N 388.870 4.878 0 50 GJAA Cn1cc([C@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3)n2)cn1 952845239 IFYHKTWHZNFVLO-LJQANCHMSA-N 396.878 4.628 0 50 GJAA CC(C)C[C@H](C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)C(C)C 1875334571 VGMPALLOFMZGPM-INIZCTEOSA-N 385.470 4.834 0 50 GJAA CN(CC(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 2332239369 LICHQRAAHAXKSZ-ARNLJNQMSA-N 388.486 4.519 0 50 GJAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCCCCC1 630508 WHJMFEULBSMTMV-UHFFFAOYSA-N 383.542 4.853 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccccc3)nc12 993240 PPFOBOODJVZGFF-INIZCTEOSA-N 380.875 4.772 0 50 GJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 1115710 OFXGDBZETHOSQU-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA CC[C@@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 1200345 FYTRCDWXMXPEAU-SNVBAGLBSA-N 377.897 4.659 0 50 GJAA C[C@H]1CCc2c(sc3nc(S[C@H](C)C(=O)Nc4ccccc4)nc(N)c23)C1 2311540 SOEHJUIKOFJQBH-NWDGAFQWSA-N 398.557 4.518 0 50 GJAA O=C(CCSc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 4867551 MHPITHNRZFGFNI-UHFFFAOYSA-N 382.529 4.824 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(Cc2cccnc2)C1 12306359 MZNLASQIBYCHRD-NRFANRHFSA-N 389.474 4.738 0 50 GJAA O=C(CCc1nnc(C2CCCCC2)o1)N1CCC(Cc2ccccc2)CC1 20780039 VVVAIHRPYJAAAX-UHFFFAOYSA-N 381.520 4.531 0 50 GJAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(C2CCN(c3ccccc3)CC2)C1 39447933 URDWDNQXQXHJJX-XMMPIXPASA-N 398.978 4.626 0 50 GJAA c1ccc(-c2ncn(Cc3cn[nH]c3-c3cccs3)c2[C@H]2CCOC2)cc1 67713109 QXLSOPXECNSSTC-INIZCTEOSA-N 376.485 4.554 0 50 GJAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71752435 NYGXMGCOZRRDGT-GOSISDBHSA-N 377.463 4.701 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2ccccc2F)C1 71758908 ZPCLDUOHOVVCIQ-QGZVFWFLSA-N 377.463 4.701 0 50 GJAA Clc1ccc(C2=C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100726731 BBYZKCGYPAPTTA-INIZCTEOSA-N 387.668 4.750 0 50 GJAA CC[C@@H](C)[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)O 218346629 ORXOWLQQKRYEGW-MJWYBRSISA-N 391.870 4.617 0 50 GJAA Cn1c(-c2cccc(Cl)c2)cn(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N 334157548 KCOKOJUHCDEECG-UHFFFAOYSA-N 394.689 4.816 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCCC[C@@H]4CC)csc3C2)nc1 426563480 WUPLVBXPZORAIC-IBGZPJMESA-N 397.588 4.669 0 50 GJAA O=C(NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1cc(C2CC2)nc2ccc(Cl)cc12 493077022 IGPSTTOEHLQSGS-WXNNJLFXSA-N 396.918 4.579 0 50 GJAA Cc1ccsc1[C@H](CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)N(C)C 534585513 WNUBBBSGNUJCNK-FQEVSTJZSA-N 396.560 4.515 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1nc(C2CCCCC2)no1 952982895 CROGRGYRRHZEES-SFHVURJKSA-N 379.460 4.549 0 50 GJAA COc1cc(-c2onc(N(C)CCCC3CCCC3)c2C(=O)O)ccc1F 1704312944 CDBCIZVTVOTTIW-UHFFFAOYSA-N 376.428 4.594 0 50 GJAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cc(OC(F)F)ccc2F)no1 1875254061 DZEKOVREZOALJR-QMMMGPOBSA-N 385.729 4.666 0 50 GJAA Brc1cnc2sc(/C=C/C=C/c3ccc4c(c3)OCO4)nc2c1 1875341896 NGNMZLHZMYGVOO-ZPUQHVIOSA-N 387.258 4.909 0 50 GJAA O=C(NCC1CC(c2ccccc2)C1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2325704232 OZAPBWOFXBGDBT-RBDHKIHOSA-N 388.555 4.740 0 50 GJAA Cc1ccc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)nc1 2325876212 NEJFXVAIDFXCBD-UHFFFAOYSA-N 378.497 4.802 0 50 GJAA COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 1071784 TXEUBAWRIDRJGZ-UHFFFAOYSA-N 389.860 4.942 0 50 GJAA O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1 1205663 ZTMOUYNUOHXXME-UHFFFAOYSA-N 389.263 4.841 0 50 GJAA CCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 2187922 GICPNQHQHSTXJF-SFHVURJKSA-N 380.473 4.552 0 50 GJAA CCCC(CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2576804 FIHDROCXVRQYAL-UHFFFAOYSA-N 381.472 4.949 0 50 GJAA in-vitro C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 11788504 YIKHSCXIDVKZNU-IOMURQGYSA-N 392.518 4.742 0 50 GJAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 45796259 RWGLUBLPUIVSPT-DYESRHJHSA-N 392.842 4.770 0 50 GJAA CCNc1ncc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 71708019 CDIGWRMVTHVELC-QGZVFWFLSA-N 392.469 4.772 0 50 GJAA CC(C)N(CCNC(=O)[C@H](Oc1ccccc1)c1ccc(Cl)cc1)C(C)C 96027282 YNZBZNVWRMEWBN-OAQYLSRUSA-N 388.939 4.695 0 50 GJAA CCSc1nc2ccc(NC(=O)N[C@H](c3cc(C)ccn3)C3CC3)cc2o1 97568879 ZCWHKTLYQRLAIS-SFHVURJKSA-N 382.489 4.916 0 50 GJAA COc1ccc([C@@]2(C(=O)Nc3ccccc3CN3CCCC3)CC2(C)C)cc1 952985124 CCGJDMKYVURACU-XMMPIXPASA-N 378.516 4.597 0 50 GJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C(C)(C)Oc1cc(C)c(Cl)c(C)c1)C2 1704345464 ZAAINTLTIVIQQW-XMSQKQJNSA-N 393.955 4.922 0 50 GJAA C[C@H](C(=O)Nc1cc(Br)cnc1O)[C@H](C)c1ccccc1Cl 1875310068 BSHDOCHLSKCFCM-UWVGGRQHSA-N 383.673 4.581 0 50 GJAA O=C(COc1ccccc1Cl)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 890298 AHHBBUAXTYZPMU-UHFFFAOYSA-N 395.802 4.668 0 50 GJAA O=C(COC(=O)c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 987262 XIDDRCOJRMAJDH-UHFFFAOYSA-N 394.810 4.599 0 50 GJAA COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCC2 996014 ATJFFVJFOCEJEY-UHFFFAOYSA-N 385.819 4.597 0 50 GJAA COc1ccc(NC(=O)c2ccc(Nc3nnc(C)c4ccccc34)cc2)cc1 2278523 WCLBEZGGKOWWPP-UHFFFAOYSA-N 384.439 4.943 0 50 GJAA CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1cccc(N2CCCC2=O)c1 4990230 JQSVLACVGAXCDV-SXNDJJGBSA-N 389.499 4.756 0 50 GJAA COC(=O)c1sc2cc(NC(=S)N3CCC[C@@H](C)C3)ccc2c1Cl 6399037 HTJMSYMOTOCMNO-SNVBAGLBSA-N 382.938 4.770 0 50 GJAA COC(OC)[C@@H](C)NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 6825077 YAWICBSKZZVTGR-CQSZACIVSA-N 398.890 4.601 0 50 GJAA COc1ccc2ccccc2c1CN1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 11934676 UOBFREPWEUFOEV-RUZDIDTESA-N 393.502 4.805 0 50 GJAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12150637 VKEOCIHFBJPSSE-IAQYHMDHSA-N 391.920 4.737 0 50 GJAA Cn1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(-c2ccccc2)n1 12480178 SXJWWVSXYBAYHN-IBGZPJMESA-N 393.918 4.835 0 50 GJAA CC(C)N(CCOc1ccc(Br)cc1F)C(=O)OC(C)(C)C 230550459 OMSKDWYEFGESGB-UHFFFAOYSA-N 376.266 4.613 0 50 GJAA CC[C@H]1C[C@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 328595386 TVLYCKCDXQFCLX-HIFRSBDPSA-N 380.326 4.669 0 50 GJAA Cn1cnnc1Sc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 494680471 UJLJATDPZMNCPY-UHFFFAOYSA-N 382.533 4.511 0 50 GJAA COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1NC(C)=O 512736850 WGAWSEINCVJXPP-MOPGFXCFSA-N 381.476 4.502 0 50 GJAA CCO[C@H](C)c1ncc(C(=O)N(Cc2nc3ccccc3s2)C2CC2)s1 928664942 PXBYQSHFNYXOIH-GFCCVEGCSA-N 387.530 4.655 0 50 GJAA COc1ccc(C(C)C)cc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 1875319250 UZVPTEQXXVDHPB-UHFFFAOYSA-N 375.273 4.893 0 50 GJAA Oc1nc(SC[C@H](O)Cc2ccccc2)nc2scc(-c3ccccc3)c12 2325711823 JQESHHYLHXBTBX-MRXNPFEDSA-N 394.521 4.760 0 50 GJAA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2Cl)NC(=O)N1 626446 DUUIQLCVZDSIRH-SFHVURJKSA-N 376.884 4.624 0 50 GJAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1(c3ccccc3)CCCC1)CC2 820017 BEFNZMLFQVKDCS-KRWDZBQOSA-N 379.500 4.662 0 50 GJAA biogenic CC1(C)CC(=O)c2c(O)cc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2O1 1050270 JMYOWJLWMYLICA-UHFFFAOYSA-N 395.238 4.705 0 50 GJAA C[C@H](NC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 1084517 FABYJJXWDNRPJA-ZDUSSCGKSA-N 387.555 4.633 0 50 GJAA COc1cccc2cc(-c3nnc(Nc4cc(F)ccc4C)s3)c(=O)oc12 1183712 QJUCSDUURHMHTL-UHFFFAOYSA-N 383.404 4.511 0 50 GJAA COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2C=O)cc1OC 2558256 IMNCFBAYXDJRRS-UHFFFAOYSA-N 391.254 4.735 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)c4ccccc4)c3n2)cc1 2770255 CDTYSFKAVDQYNO-UHFFFAOYSA-N 392.409 4.919 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1Cl 2990136 YQYHRPRFNJQZJI-UHFFFAOYSA-N 391.254 4.766 0 50 GJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794577 VIGRJFNSOYZCGW-DAESXHAQSA-N 394.515 4.647 0 50 GJAA CCOC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc2c1CCCCC2 6595170 WESQHUPLAVTOHY-ZDUSSCGKSA-N 380.579 4.622 0 50 GJAA CCn1c(CN[C@H]2CCCc3c2cnn3-c2ccccc2F)nc2ccccc21 11664488 DMBLXRMPLCVMAP-SFHVURJKSA-N 389.478 4.548 0 50 GJAA O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1C(F)(F)F 11903058 MCQOWAKHAOHEDN-UHFFFAOYSA-N 389.402 4.893 0 50 GJAA Cc1cccc(-n2cc(CN(C)Cc3cc(C)n[nH]3)c(-c3cccc(F)c3)n2)c1 15066280 IZFOGEMSIYHCLI-UHFFFAOYSA-N 389.478 4.650 0 50 GJAA Cc1ccc(C(=O)N[C@H](N(C)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 19799956 ZGCTYGCYACCXTO-QGZVFWFLSA-N 385.722 4.553 0 50 GJAA Cc1cccc(CCNC2CCN(c3cccc(-c4csc(C)n4)c3)CC2)n1 23369406 QKSNMELFXSGHJC-UHFFFAOYSA-N 392.572 4.623 0 50 GJAA CN(Cc1cc(-c2ccccc2)no1)Cc1nc(-c2cccc(Cl)c2)no1 67919590 BIWTXYUFQYBHOS-UHFFFAOYSA-N 380.835 4.677 0 50 GJAA O=C(c1ccc([C@H]2CCCNC2)cc1)N(Cc1ccccn1)C1CCCCC1 95363526 LKUCVYANVDWFLS-NRFANRHFSA-N 377.532 4.524 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 101895495 UGQLSXAXRJZOBG-KODHJQJWSA-N 387.401 4.888 0 50 GJAA O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCC[C@]2(CC=CCC2)C1 114436032 MEHGTPQGOMWWIJ-HSZRJFAPSA-N 391.471 4.764 0 50 GJAA CC(=O)Nc1cccc([C@H](C)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 163583933 JLTRKFWVZFORNE-INIZCTEOSA-N 385.939 4.614 0 50 GJAA COc1ccc(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)c2cccnc12 534676054 GHQQWAKMFGAKNS-BGYRXZFFSA-N 384.479 4.949 0 50 GJAA CCCn1c(C)nc2cc(NC(=O)c3cc(CN4CCCC4)c(CC)o3)ccc21 823024276 KZADLEDBZISMIB-UHFFFAOYSA-N 394.519 4.758 0 50 GJAA C[C@H]1CN(C(=O)[C@@H](c2ccccc2)n2cnc3ccccc32)Cc2ccccc21 1875259264 XIHYZUQGHZHKTC-MHECFPHRSA-N 381.479 4.772 0 50 GJAA CC[C@@]1(c2ccc(NCc3cccc4ccsc34)cc2)CCC(=O)NC1=O 1875329717 FKQSYLWZRNEIAW-QFIPXVFZSA-N 378.497 4.598 0 50 GJAA COc1cccc2c1[C@H](NC[C@H](O)Cc1ccc3ccccc3c1)C[C@H](C)C2 1875345097 RYQJPCUMQHGXJV-NLSFWIRASA-N 375.512 4.665 0 50 GJAA C[C@@H](CNC(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 2325725280 PAUCWNALTKEEOF-UQBPGWFLSA-N 390.502 4.767 0 50 GJAA Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 954887 DCCUSCSZUSIMNN-UHFFFAOYSA-N 388.467 4.882 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 1149945 FGZVGUTUCHSJOS-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C)cc1 1197975 JWIHDJNRNVJAJW-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA COc1ccc(CNCC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 2101766 MSMGILWIFGCKCS-JOCHJYFZSA-N 375.468 4.736 0 50 GJAA biogenic Cc1cc(-c2ccccc2)n(-c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)n1 5697924 UYGDAYMXZHUYKO-UHFFFAOYSA-N 386.846 4.606 0 50 GJAA Cc1nccn1CCN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 11663447 FXXXKIBWDMQXHY-UHFFFAOYSA-N 391.563 4.772 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1 12451373 UICJVIWTKSDPIN-OAQYLSRUSA-N 387.502 4.938 0 50 GJAA COc1ccc(-c2nc(CN(CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1C 12714168 PWCDQOZEFNDQKH-HXUWFJFHSA-N 384.520 4.748 0 50 GJAA CSc1cccc(NC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 13320203 UYALLLGRJYMXEV-UHFFFAOYSA-N 391.540 4.911 0 50 GJAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccccc2Cl)cc1C 14978534 PZMSXPXQLRHCPF-FQEVSTJZSA-N 379.891 4.950 0 50 GJAA COc1ccc(C2(CNC(=O)/C=C\c3ccccc3)CCCCC2)cc1OC 16227242 QMDVIMHMQOVTIO-KAMYIIQDSA-N 379.500 4.735 0 50 GJAA CCOc1ccc(-c2nc(C(=O)N(C)c3ccc(OC)c(OC)c3)cs2)cc1 109125064 DHFXSWDXAXRWII-UHFFFAOYSA-N 398.484 4.503 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)CC3CC(C)(C)NC(C)(C)C3)cn2)c1 952976143 LGFLEGLQAOZBRL-UHFFFAOYSA-N 397.519 4.768 0 50 GJAA CCOC(=O)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)nc1C 1355143221 KHUBUKGXJJPNCR-UHFFFAOYSA-N 376.412 4.611 0 50 GJAA CN(C)C(=O)c1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)cc1 1875325231 UXWQXKHYQVGHNL-UHFFFAOYSA-N 378.903 4.999 0 50 GJAA Fc1ccccc1-c1nc(N2CCN(c3ccccc3)CC2)c2ccccc2n1 753026 RHWPOMMEZPJCJP-UHFFFAOYSA-N 384.458 4.763 0 50 GJAA CCc1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 950683 CEBFPYADDRJWPY-UHFFFAOYSA-N 376.364 4.960 0 50 GJAA C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)C(C)(C)C 1073721 QMYDBFGRWHEQQV-AWEZNQCLSA-N 376.456 4.795 0 50 GJAA O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1 1212786 CMMDLOHSMNJHBA-UHFFFAOYSA-N 397.843 4.868 0 50 GJAA Cc1cccc(C(C)C)c1NC(=O)c1ccccc1I 2879461 LFSIXHWGDRLHTD-UHFFFAOYSA-N 379.241 4.975 0 50 GJAA CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 4657486 XLHNXCABZJCWMU-LJQANCHMSA-N 375.896 4.586 0 50 GJAA C[C@H](CC(=O)N[C@@H](CC(=O)O)c1ccc(OC2CCCC2)cc1)c1ccccc1 4689316 HTIMCRZFXNWJNF-VGSWGCGISA-N 395.499 4.834 0 50 GJAA Cc1cccc2c(C(=O)O)cc(-c3ccc(I)cc3)nc12 4725651 UCWYCSGXHBNBQU-UHFFFAOYSA-N 389.192 4.513 0 50 GJAA COc1ccc(C(=O)Nc2cc(-c3cnc4ccccc4n3)ccc2OC)cc1 4842602 XHNFFIZLAIBPHC-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA COc1ccc(Cn2c(=S)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1 6303955 PBJCYNORKQZIFM-UHFFFAOYSA-N 380.494 4.844 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCc2ccccn2)C1 12447997 ZHVDROZKQHCTLR-QHCPKHFHSA-N 398.506 4.803 0 50 GJAA CCOC(=O)C1(CC2CC2)CCN([C@H](C)CCc2c[nH]c3ccccc23)CC1 15079912 IKXNMUGSWIMGFE-GOSISDBHSA-N 382.548 4.934 0 50 GJAA CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2cccs2)CC1 15867141 DDCQDCXJJBJUKO-DAWZGUTISA-N 392.565 4.744 0 50 GJAA CCC(=O)N[C@@H](N(Cc1ccccc1)Cc1ccccc1)C(Cl)(Cl)Cl 19300965 UWHQJNFTVYCSSP-SFHVURJKSA-N 399.749 4.911 0 50 GJAA Cc1ccc(-c2n[nH]cc2CNCC2(c3ccccc3)CCOCC2)cc1C 19720768 HSMQSQHPAVUQOI-UHFFFAOYSA-N 375.516 4.532 0 50 GJAA CN(Cc1csc(-c2ccccc2)n1)Cc1nc(Cc2cccc(F)c2)no1 20598832 DHFBAXQTRZCNNY-UHFFFAOYSA-N 394.475 4.555 0 50 GJAA Cc1c([C@H](C)NCc2ccc3nonc3c2)cnn1-c1cccc2ccccc12 55359980 PLDIECAZZWINNV-HNNXBMFYSA-N 383.455 4.721 0 50 GJAA CCCc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cs1 67908044 YGUPXQFGDYCZJH-MRXNPFEDSA-N 380.517 4.506 0 50 GJAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 72459213 BXBAFFDNAJENCC-CQSZACIVSA-N 380.498 4.725 0 50 GJAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nc2ccccc12 95528739 GPSOPSXXUWTJPF-HXUWFJFHSA-N 383.499 4.567 0 50 GJAA Cc1cccc(-c2nn(-c3ccccc3)cc2CNCCCCCCC(=O)O)c1 170612891 LNXDTDXBMYKPFB-UHFFFAOYSA-N 391.515 4.972 0 50 GJAA Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 263587745 KSVSCFPXNUJOBG-QFIPXVFZSA-N 392.547 4.916 0 50 GJAA CCc1nc2cc(NC(=O)c3cnc(C)nc3-c3ccccc3)ccc2n1CC 952965215 CVZQVLABAOYKDS-UHFFFAOYSA-N 385.471 4.636 0 50 GJAA CCc1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccccc2C)cc1 958140 GBYVNICWNRYNCC-UHFFFAOYSA-N 388.467 4.827 0 50 GJAA Cc1nnc(SCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)s1 1100402 XJLOPESLGPYBCK-UHFFFAOYSA-N 398.538 4.854 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(C(C)(C)C)oc2NCc2ccccc2)cc1 1142598 YEVXXFOTEBVJIT-UHFFFAOYSA-N 384.501 4.725 0 50 GJAA O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F 1586252 CJDWRQLODFKPEL-UHFFFAOYSA-N 381.112 4.512 0 50 GJAA biogenic,in-vitro CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 2049797 ITHVMALHYAFIBF-UHFFFAOYSA-N 376.909 4.954 0 50 GJAA CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 2827887 MGAPYIRKAJXZPA-UHFFFAOYSA-N 397.544 4.593 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 2920760 LEJNBVCHXBEIKE-SXSDINLZSA-N 380.473 4.868 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)O)C1 4724104 GCJUIPVZVSDRKW-NSHDSACASA-N 375.465 4.989 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc(Cl)c2)cc1 5061691 GHFMLLRJWXHHJE-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1)NC1CC1 12754311 UQUCKPPCDFUNOY-FQEVSTJZSA-N 392.543 4.536 0 50 GJAA COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(Br)c2)cc1 15300746 FFYQNOPSRLZKIQ-GOSISDBHSA-N 376.294 4.803 0 50 GJAA CCOc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)cc1 22203749 DUIDRCVCYYGOKB-UHFFFAOYSA-N 377.492 4.559 0 50 GJAA Cc1ccc(-n2cc(CN[C@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 55089300 HMDDVVXZXPABFL-QGZVFWFLSA-N 387.462 4.628 0 50 GJAA CCOc1ccccc1-c1c(-c2ccccc2)ncn1C[C@H](O)c1cccnc1 65404865 TZCOPXGHHLWQSQ-NRFANRHFSA-N 385.467 4.744 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1cnn(C(C)C)c1)CCO2 67868566 FJOBSYDGVRWIKX-UHFFFAOYSA-N 377.488 4.540 0 50 GJAA CCNc1ncc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 71708020 CDIGWRMVTHVELC-KRWDZBQOSA-N 392.469 4.772 0 50 GJAA Cc1sc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1-c1ccc(F)cc1 151316072 HARSLKZURFXIML-UHFFFAOYSA-N 394.471 4.743 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257357869 QNCHNEOJTWMTPT-AMFVFTMOSA-N 383.576 4.715 0 50 GJAA COc1cccc2[nH]cc(CC(=O)Nc3ccc(Oc4ccccc4F)nc3)c12 487111998 DAAOQFIHRPLBAJ-UHFFFAOYSA-N 391.402 4.684 0 50 GJAA CSc1ccc2cc(CNCc3ccco3)c(OCc3ccncc3)nc2c1 824939777 QOPFAYXMBLCVGR-UHFFFAOYSA-N 391.496 4.814 0 50 GJAA CN1CC[C@H](n2ccnc2-c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 1857701182 FQRMRBURBCUIOW-ZDUSSCGKSA-N 376.243 4.520 0 50 GJAA CCc1c(NC(=O)Nc2cccc(=Nc3ccccc3)[nH]2)cnn1CCC(C)C 1875327938 QGABKQMCGPQJGM-UHFFFAOYSA-N 392.507 4.696 0 50 GJAA CCCOc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccnn1CC1CCC1)[C@H]2C 2325829363 HWIDJHUOQPLAHZ-SJORKVTESA-N 381.520 4.620 0 50 GJAA O=C(NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 865982 NPYPPDWCUIABSE-IRXDYDNUSA-N 392.425 4.606 0 50 GJAA O=C1OC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 1036630 LPIXXUAZZGTGMD-XMHGGMMESA-N 397.459 4.945 0 50 GJAA O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccco1 1156840 MWIGDMCBONDHAH-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1 1211987 TUMHTHIBYJWBHQ-UHFFFAOYSA-N 392.256 4.519 0 50 GJAA O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc(Cl)cc1 2256977 PUBHYXKRYWBWAE-UHFFFAOYSA-N 376.795 4.591 0 50 GJAA COc1ccc2cc(Br)ccc2c1CC(=O)Nc1nc(C)cs1 2860555 XRIIRBCHITZNFD-UHFFFAOYSA-N 391.290 4.557 0 50 GJAA COc1ccc(OC)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 5520680 LZGTZVCIKAZAQL-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA COc1ccccc1[C@H]1CCN(Cc2cn(C)nc2C)c2ccccc2S1 11786297 JLLIPBTYGMDKHN-OAQYLSRUSA-N 379.529 4.981 0 50 GJAA Cc1ccc(CN2CC[C@H](N(C)Cc3nc4ccccc4s3)CCC2=O)cc1 11814879 RQUTVWUKDLRCEU-LJQANCHMSA-N 393.556 4.618 0 50 GJAA CCCCc1nc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c[nH]1 11819109 RPQVYNCHFGQHLL-KRWDZBQOSA-N 386.515 4.522 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(CCCSC)C3)cc2)c1 11880127 UPOUQYGSUMHYSV-HXUWFJFHSA-N 398.572 4.766 0 50 GJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1Cl 13281930 KRRJGDATKRSEBA-UHFFFAOYSA-N 396.697 4.710 0 50 GJAA O=C1NC(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)S1 13785909 WQCNBRVMHPNXKC-SDQBBNPISA-N 384.638 4.686 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1 14961521 LADTWMZCPNUIHS-OAQYLSRUSA-N 389.499 4.660 0 50 GJAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36621080 JOPJMXYYUIGWHM-IBGZPJMESA-N 386.879 4.815 0 50 GJAA Cc1nc(-c2c(-c3ccccc3)ncn2C[C@H](c2ccco2)N2CCCC2)c[nH]1 65375961 AUWQNOXANKRNHS-HXUWFJFHSA-N 387.487 4.679 0 50 GJAA Cc1c(NC(=O)N2CCCCC[C@@H]2c2ccco2)cccc1-c1nncn1C 96152776 HETVNVHNZQBFOV-GOSISDBHSA-N 379.464 4.533 0 50 GJAA Cc1cccn2cc(-c3ccc(NC(=O)c4cc(C(C)(C)C)nn4C)cc3)nc12 170650707 YEGHNPVWJKKLHB-UHFFFAOYSA-N 387.487 4.593 0 50 GJAA O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCC[C@H]1c1cccs1 242164708 WXENGYHEJUWSHK-FMKPAKJESA-N 376.319 4.978 0 50 GJAA CC(C)(C[C@H]1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1)C(=N)O 333560627 KVSFXUSBKBIGHX-WNZFAQLISA-N 388.474 4.791 0 50 GJAA Nc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1461679433 WVDXRRCXWNPXGN-CYBMUJFWSA-N 388.701 4.737 0 50 GJAA O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 1775974212 NBJYYTRZJOIFBB-UHFFFAOYSA-N 389.835 4.564 0 50 GJAA O=C(c1cccc(-c2nnco2)c1)N1CCc2sccc2[C@@H]1c1ccccc1 1875258127 XMOJNTLUXIRERB-FQEVSTJZSA-N 387.464 4.586 0 50 GJAA Cc1ccc2snc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2c1 2325822671 IBDSMVASXHERBV-UHFFFAOYSA-N 386.904 4.942 0 50 GJAA COc1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 634662 GTWIAJVWNZOYLA-UHFFFAOYSA-N 392.455 4.826 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1I 638495 SQAGGVIBJZHRIU-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cccnc1 715661 FUUYTQGEUIMQMC-UHFFFAOYSA-N 380.469 4.856 0 50 GJAA Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)c(Cl)c3)C2=O)c1 945431 YMMOZOOCWWTTFA-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 2842031 NHHIWLCZZPKCEN-QGZVFWFLSA-N 380.488 4.590 0 50 GJAA COC(=O)c1sccc1NC(=O)CSc1cc(Cl)ccc1Cl 4091895 ZNXCQDPJVDRPJT-UHFFFAOYSA-N 376.286 4.572 0 50 GJAA COc1ccccc1C(=O)[C@H]1CCCN(Cc2nc(-c3cccs3)oc2C)C1 11998492 SDIQUQBMMHHURS-INIZCTEOSA-N 396.512 4.815 0 50 GJAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccc(Cl)c2)CC1 12578579 QJOLMYCOYWFPMQ-UHFFFAOYSA-N 382.891 4.565 0 50 GJAA O=C(COc1ccccc1)NCC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 18056748 SJHGBCFZSCWVEO-KVEMZPMDSA-N 375.512 4.720 0 50 GJAA O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20494113 JMEBBQZPLRQUCC-UHFFFAOYSA-N 390.314 4.836 0 50 GJAA Cn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 20604047 GISCXQUKFQIWFD-UHFFFAOYSA-N 387.386 4.830 0 50 GJAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C1 48097084 GMVZZOZLLYNVKK-AUSIDOKSSA-N 383.536 4.745 0 50 GJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 95530061 BTGBNLCHGRNDES-CQSZACIVSA-N 395.881 4.564 0 50 GJAA CC(C)[C@@H](C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)n1cccc1 409413469 IFCWGNJVZMCBEI-QHCPKHFHSA-N 386.499 4.985 0 50 GJAA Cc1cccc([C@H](NC(=O)c2ccc(CSc3ccccn3)cc2)C2CC2)n1 952981584 MPIRSVLPIRPJCW-JOCHJYFZSA-N 389.524 4.958 0 50 GJAA CCc1ccc(N2C[C@H](c3nnc(-c4ccc5ccccc5c4)o3)CC2=O)cc1 1322378852 ZVYCTJVBNZTGSL-HXUWFJFHSA-N 383.451 4.973 0 50 GJAA O=S(=O)(NC[C@@H]1C[C@@H]1c1cccs1)c1cc(Cl)c(Cl)cc1Cl 1857799328 WTZXEECPWKTGNO-IUCAKERBSA-N 396.748 4.790 0 50 GJAA C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 1875338625 FBDPCJMIBLTRBV-QRVDHSFSSA-N 391.437 4.547 0 50 GJAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 2465639 KHZLDWHTAKUWIY-UHFFFAOYSA-N 396.834 4.702 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(F)c1 2982206 BLUQBVFTUFYEGI-UHFFFAOYSA-N 391.899 4.596 0 50 GJAA COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1ccccc1C 5077553 PHSFHDZJUMDKQY-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2cccc(-c3ccco3)c2)C1)c1cccs1 12716192 JKJQLBPZYVXYLP-GOSISDBHSA-N 380.513 4.650 0 50 GJAA COc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc(OC)c1 13594268 LTONBXNBEKCFOE-QGZVFWFLSA-N 385.529 4.521 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cnc(N(C)C)s2)cc1 20534687 JBGDFRKYWBJKSC-IBGZPJMESA-N 395.576 4.507 0 50 GJAA COCCOc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl 126461762 KVRCTZNYLDYBOO-AWEZNQCLSA-N 387.867 4.897 0 50 GJAA CCCC[Sn](CCCC)(CCCC)COCCCN 206552279 MFLUZZMSFDSMIZ-UHFFFAOYSA-N 378.189 4.740 0 50 GJAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCCC[C@@H]1c1cccnc1 299800457 VWXNSCGPMZBIBR-LJQANCHMSA-N 377.444 4.564 0 50 GJAA C[C@H]1C[C@H](n2ccnc2-c2ccccc2OCCCCN2CCCCC2)CCN1 1857718719 PYSCIDVRYMVDAI-LEWJYISDSA-N 396.579 4.508 0 50 GJAA O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccc2c(c1)CCO2 1875256772 KVKHNTXPYVRBJN-UHFFFAOYSA-N 388.448 4.800 0 50 GJAA Cc1nc(-c2cc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cs2)cs1 1875260711 FERJGIMXQIYFJU-UHFFFAOYSA-N 382.510 4.573 0 50 GJAA C[C@@H]1CN(C)c2ccccc2N(Cc2csc(-c3cccc(C(=O)O)c3)n2)C1 1875343682 QSKZGIYJLPTMSG-OAHLLOKOSA-N 393.512 4.601 0 50 GJAA Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2 751770 VGYHECUZUJAEFW-UHFFFAOYSA-N 384.483 4.734 0 50 GJAA O=C(/C=C/c1ccccc1Cl)Nc1ccc(I)cc1 937147 MLOMACDQOIYVJS-BJMVGYQFSA-N 383.616 4.597 0 50 GJAA Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 957005 PWIXNOJQJZTTGN-CJLVFECKSA-N 376.500 4.523 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1cccc(Cl)c1 1169032 VUJKXIYVUYESDQ-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCOC(=O)[C@@H](C(=O)C(F)(F)F)C1c2ccccc2Sc2ccccc21 1890849 DJWMQPPXGBEJKS-MRXNPFEDSA-N 380.387 4.594 0 50 GJAA O=C(COc1cccc(Cl)c1Cl)NCc1cccc(C(F)(F)F)c1 2763403 TZBNZEMTKFSFRR-UHFFFAOYSA-N 378.177 4.707 0 50 GJAA O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 2978854 ASBTWVWYGUYDQS-AOAKWNDQSA-N 395.414 4.650 0 50 GJAA Cc1ccc(C)c(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)c1 6768107 AGWXAEDWFFCKFA-UHFFFAOYSA-N 375.542 4.917 0 50 GJAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1cccc2ccccc12 7720855 SUEUNLXPSDLENA-UHFFFAOYSA-N 385.467 4.870 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2c(C)nc3sccn23)C1 19222735 ITNBDHGXKRXJGV-HNNXBMFYSA-N 387.936 4.761 0 50 GJAA Cc1ccccc1-c1nc(CN2CC[C@@H](c3sccc3C)[C@H](O)C2)c(C)o1 67785966 BDFXHIPOYVIFQX-UYAOXDASSA-N 382.529 4.679 0 50 GJAA CCOC(=O)N1CCN([C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 96027785 OXYVHNMJZXALAB-IBGZPJMESA-N 392.421 4.569 0 50 GJAA CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 124232334 UBDVWVLBZUHKQR-SFHVURJKSA-N 387.568 4.650 0 50 GJAA O=C(CCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 169754583 INLQNMXGSWKWGO-SFHVURJKSA-N 381.863 4.686 0 50 GJAA Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc2nc(C3CC3)oc2c1 177170594 ICTOFAXUMAOIMA-UHFFFAOYSA-N 389.459 4.575 0 50 GJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(OC3CCC3)c(F)c2)cs1 189079416 QVADBDQBBHYANM-KRWDZBQOSA-N 375.469 4.891 0 50 GJAA CCn1ccnc1[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 797438905 NLQVOLYEWQOJIF-HXUWFJFHSA-N 384.487 4.640 0 50 GJAA COC(=O)c1nc(NC(=O)c2cc3c(Cl)cccc3[nH]2)sc1CC(C)C 952962604 FGQLSRMTEYLVCD-UHFFFAOYSA-N 391.880 4.515 0 50 GJAA CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(Nc2ncccn2)cc1 1875265462 ZUEAMQDVAJSOJI-UHFFFAOYSA-N 388.431 4.510 0 50 GJAA Cc1cc(C)c(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)c(C)c1 1118859 PDHMTGVLGUQWMF-UHFFFAOYSA-N 396.556 4.791 0 50 GJAA COCCOC(=O)c1c(C)oc2cc(Br)c(OCC=C(C)C)cc12 1810054 NQNSTBLVGBGVDR-UHFFFAOYSA-N 397.265 4.652 0 50 GJAA biogenic COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@H]4C)c3C)C2)cc1 4134285 WAMNGGJBOLUWGH-JOTOCRJQSA-N 381.472 4.590 0 50 GJAA OC[C@]1(Cc2ccccc2F)CCCN(Cc2nc(-c3ccccc3)cs2)C1 11816169 NISKYCVREBFMBF-QHCPKHFHSA-N 396.531 4.766 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccnc4)CC3)cc2)c1 11938162 TVSBJJMPPUBHEM-UHFFFAOYSA-N 385.511 4.908 0 50 GJAA Cc1ccsc1C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 11952516 GCDYLQMUOVUWPR-UHFFFAOYSA-N 397.462 4.533 0 50 GJAA O=C(Nc1ccnn1C1CCN(CCCC2CCCC2)CC1)c1ccccc1 12706372 VKILLXVKOUFTKJ-UHFFFAOYSA-N 380.536 4.743 0 50 GJAA O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1 17045815 HKGCTRXJZNIUIH-UHFFFAOYSA-N 382.828 4.822 0 50 GJAA O=C(NCc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 19822896 GTQNLNWIBLECBQ-UHFFFAOYSA-N 390.914 4.828 0 50 GJAA CCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(O)c(OC)c2)c(C)n1 65436026 SAXIYWUJYBRVEN-UHFFFAOYSA-N 388.471 4.504 0 50 GJAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1ccc2nsnc2c1 67921424 IBCMXMSKASKKOD-UHFFFAOYSA-N 386.427 4.565 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@H](N(C)C)C1 72420353 FOJNSMZCXKQYPD-IBGZPJMESA-N 377.488 4.578 0 50 GJAA CC(C)CC[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2CCC(C)C)cc1 239309377 HMFLCOGHDAOZKE-UDKICSLYSA-N 384.564 5.708 0 50 GJAA COc1ccccc1-c1cccc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)c1 1704299743 RTQJFODXCRHVGG-ISKFKSNPSA-N 379.500 4.784 0 50 GJAA Cc1[nH]ccc(=NC(=O)c2csc(C3CCCCC3)c2)c1Br 2325840449 ARMLVSMYDISGJA-UHFFFAOYSA-N 379.323 4.936 0 50 GJAA CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)C(C)(C)C)cc12 623948 LAFOYCZSZOMNAX-UHFFFAOYSA-N 397.265 4.674 0 50 GJAA biogenic CC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 1085388 SHOVYOWMSQLIIB-UHFFFAOYSA-N 398.256 4.822 0 50 GJAA CCOc1cc(C=O)cc(Br)c1OCCOc1ccccc1Cl 2866707 MUOWAICBHQNHMM-UHFFFAOYSA-N 399.668 4.772 0 50 GJAA COc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(OC)cc2)cc1 4015788 OCZGBQKEEFUOTA-UHFFFAOYSA-N 384.476 4.622 0 50 GJAA O=C1C[C@H](c2cccc(F)c2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4185523 NOLCRVYMMLXAOL-KLXDDXCJSA-N 383.492 4.762 0 50 GJAA O=c1c2cc(Br)ccc2ncn1Cc1c(Cl)cccc1Cl 4542318 GPBMRVUYZHDIAH-UHFFFAOYSA-N 384.060 4.514 0 50 GJAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(F)cc1 11933158 WAOBIZUHEKXKLE-GOSISDBHSA-N 388.914 4.506 0 50 GJAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c(C)c1C 12192340 GKEFBMRBXLTPPB-XMMPIXPASA-N 386.499 4.664 0 50 GJAA Cc1ccc(OCc2cc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)no2)cc1C 12706332 LLNIRELUPLBLPW-GOSISDBHSA-N 394.446 4.639 0 50 GJAA O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCc1cccc(Cl)c1 15062009 GFNKNSLWYCPMDR-UHFFFAOYSA-N 396.962 4.616 0 50 GJAA Cc1ccc(-c2cccc(-c3ccn(Cc4ccc5ccccc5n4)n3)c2)nn1 19111991 HUJXYIBJCFZJDP-UHFFFAOYSA-N 377.451 4.912 0 50 GJAA CC[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 67934700 FWKLCKJZVGHDKF-GOSISDBHSA-N 394.475 4.820 0 50 GJAA COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 115773195 FAIPTLMPAKGMMP-FQEVSTJZSA-N 388.471 4.830 0 50 GJAA O=C(O)c1ccccc1Nc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1 170621794 OGIHIOXRGNLPDX-UHFFFAOYSA-N 389.459 4.652 0 50 GJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 183059306 SJBQBCCEGANGTN-GOSISDBHSA-N 389.377 4.792 0 50 GJAA Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 252457263 RUKOQHOSZDZYOS-JPYJTQIMSA-N 389.499 4.664 0 50 GJAA CCn1nc(C)c([C@H](C)NC(=O)N(Cc2cccnc2)C2CCCCC2)c1C 426396685 WLXBFBDBCDMBSH-INIZCTEOSA-N 383.540 4.520 0 50 GJAA O=C(NCCCCCCCN1CCCC1)Nc1ccccc1Br 740755035 SUEWNPQYDFTQFC-UHFFFAOYSA-N 382.346 4.617 0 50 GJAA O=C(O)c1ccc(CN2CCC(OCc3ccccc3)CC2)c(C(F)(F)F)c1 901422711 ULTBICKDNIYXEI-UHFFFAOYSA-N 393.405 4.585 0 50 GJAA COc1ccc(CCNC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)cc1OC 954204913 HIORFBZGFBAVJO-VJOPYQGCSA-N 383.532 4.691 0 50 GJAA O=C(CN1C(=O)S/C(=C/C=Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 1857525157 NQJZZWNVXJITGS-CCSBYEKFSA-N 398.871 4.571 0 50 GJAA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc3ccccc23)NC(=O)N1 799829 HPTUNXJZJQHZRM-HXUWFJFHSA-N 391.858 4.760 0 50 GJAA Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 941348 MECCLNXBYRHANN-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(F)cc1 977652 KNJUXYDMGAUSER-UHFFFAOYSA-N 380.810 4.774 0 50 GJAA O=C(Cc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2Cl)s1 1053236 JMBVYHMKUYVGGA-UHFFFAOYSA-N 394.283 4.605 0 50 GJAA O=C(Nc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 1085190 WMZRRXZKVKUQSA-QWHCGFSZSA-N 388.678 4.636 0 50 GJAA O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 1452637 JQMBNNLFHSDNHV-CQSZACIVSA-N 378.086 4.878 0 50 GJAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(OC)cc3)ccc12 2439305 RYGRFOOYVZODHQ-UHFFFAOYSA-N 380.440 4.714 0 50 GJAA O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1Cl 4812409 YPLUTBAHEDZYKP-SSZFMOIBSA-N 399.837 4.532 0 50 GJAA Cc1cnccc1CN(C)C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 12309059 ONMHYZXHABKDOG-QFIPXVFZSA-N 394.902 4.930 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1noc(-c3ccccc3)n1)CCO2 67886494 OVSGSBKTDCHVQQ-UHFFFAOYSA-N 399.450 4.817 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 95507052 VXNZYKWEYRVBLR-CQSZACIVSA-N 397.466 4.793 0 50 GJAA CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 136620388 ZBULIMFQRZMOJA-HOSILWTGSA-N 375.534 4.814 0 50 GJAA C[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1nc(Cc2ccc(Cl)cc2)no1 192347428 NDMJVGFGWSOIRE-FZKQIMNGSA-N 383.879 4.748 0 50 GJAA CC[C@H](C)N(Cc1ccc(C)s1)C(=O)c1cccc(-c2cc(O)ncn2)c1 299793875 IODNVGVLVQMIFY-AWEZNQCLSA-N 381.501 4.660 0 50 GJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1F 2049178262 IFLRDDDHUWHPKS-UHFFFAOYSA-N 391.237 4.660 0 50 GJAA Cc1cc(NC(=O)c2ccccc2CC2CCNCC2)ccc1-c1ccncc1 2325839658 AKEXVBHIRHKWLL-UHFFFAOYSA-N 385.511 4.851 0 50 GJAA COc1ccc([C@@](C)(O)CNc2ncnc3sc(-c4ccccc4)cc23)cc1 2325853811 CLRMXBYABHNJTR-QFIPXVFZSA-N 391.496 4.687 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1cccc(Cl)c1 1114496 RISZBJRLDGTPJE-UHFFFAOYSA-N 375.255 4.929 0 50 GJAA O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(F)cc1F 2541890 GMXZRWNHWHAQKS-UHFFFAOYSA-N 387.144 4.962 0 50 GJAA CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 2969944 LWBPFOASJVDCMB-UHFFFAOYSA-N 386.455 4.770 0 50 GJAA Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Br)cc3)c2C)c1 4858304 BFRSMYOGJHINTD-UHFFFAOYSA-N 398.304 4.871 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 5064866 MBYZOTYFXODJSA-URNNUDQISA-N 386.561 4.517 0 50 GJAA Cn1c(Cc2cccs2)nnc1SCc1ccc(Br)cc1 5579925 VIEANGQRYHYMRI-UHFFFAOYSA-N 380.336 4.522 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@H]3CCCc4ccccc43)c(C)o2)cc1 12430612 RJKVNQCZXKCVMB-QFIPXVFZSA-N 390.483 4.946 0 50 GJAA CC(C)c1ccc(CCC(=O)Nc2cc(-c3ccc4c(c3)OCO4)no2)cc1 13641912 YWYBWHSSHIEANW-UHFFFAOYSA-N 378.428 4.765 0 50 GJAA Cc1nn(C(C)C)c(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 14957924 WRBVYIKZNGLSIP-UHFFFAOYSA-N 386.446 4.572 0 50 GJAA COc1c(C)cccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67489601 BNPUMEAJAXUOOR-QGZVFWFLSA-N 380.271 4.524 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H](CCc2ccccc2F)C1 71760158 SSJGGNVNTBNPBL-KRWDZBQOSA-N 377.463 4.701 0 50 GJAA CCc1nc2cc(NC(=O)N3CCCC[C@H]3c3cc(C)on3)ccc2n1CC 97098963 NDBVPZJVNYAUGX-SFHVURJKSA-N 381.480 4.674 0 50 GJAA C[C@@H](Nc1cccc2c1OCCO2)c1nnc(-c2ccc(Cl)cc2Cl)o1 158222162 FJVWGTPSGVCBNX-SNVBAGLBSA-N 392.242 4.988 0 50 GJAA O=C(c1cccc([C@@H]2CCCNC2)c1)N(Cc1ccccn1)C1CCCCC1 215494153 XXZFEVOYJWULDK-OAQYLSRUSA-N 377.532 4.524 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccccc4[C@H]3C2)cc1 239433568 XZVSITAWEJANLD-GGAORHGYSA-N 390.870 5.591 0 50 GJAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1 498492161 UDNNWANHEJPDDR-QGZVFWFLSA-N 382.529 4.659 0 50 GJAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc21 746797548 CCNSKGXJSQYAKF-QPPBQGQZSA-N 397.474 4.771 0 50 GJAA COc1cc2c(cc1OC)[C@H](NC(=O)c1cccc3c1ccn3C(C)C)CC2 888105490 DKYRWIQJLOHQJY-LJQANCHMSA-N 378.472 4.657 0 50 GJAA CC(C)Cc1noc([C@@H]2CCCN(Cc3ccc(-c4ccccn4)cc3)C2)n1 952967732 CJPCJFBZOSXNLD-HXUWFJFHSA-N 376.504 4.710 0 50 GJAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)Nc2cccc3ncccc23)CC1 1775968522 NCBFRWJONKQQKU-IYARVYRRSA-N 399.494 4.636 0 50 GJAA Cc1ccc(SC[C@H](C)N=c2[nH]cnc3cc(Br)sc23)cc1 1875341298 NYRFQTOFVRDHCH-NSHDSACASA-N 394.363 4.777 0 50 GJAA CC[C@H](C)[C@@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345135 SWRDSHMPDIJHOC-KPZWWZAWSA-N 399.422 4.563 0 50 GJAA COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl 636774 HZRZFGLWGLKINB-UHFFFAOYSA-N 377.868 4.672 0 50 GJAA CCN(CC)CC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(C)c1)CC2 758035 CMKXKDLCQLUKSF-UHFFFAOYSA-N 388.515 4.518 0 50 GJAA Cc1ccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 949203 UJBGRYASZDUZAZ-UHFFFAOYSA-N 382.843 4.895 0 50 GJAA CN(C)c1ccc(Sc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 1168673 UBXMLWIOZDLVKS-UHFFFAOYSA-N 389.481 4.538 0 50 GJAA Cc1cc(OCC(=O)OC(C)(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1174817 KVRTVVUREGWXOH-UHFFFAOYSA-N 394.467 4.721 0 50 GJAA Cc1cc(I)ccc1NC(=O)c1cc2ccccc2o1 1180940 SEKMGGSQRHPJAF-UHFFFAOYSA-N 377.181 4.598 0 50 GJAA Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(OC(=O)c3ccccc3)ccc12 1216965 AEQWAIHKOAWLBV-UHFFFAOYSA-N 384.387 4.552 0 50 GJAA CN(C(=O)c1ccccc1Cl)c1ccccc1C(=O)NCc1ccccc1 4857790 SRJNYCHLBDKMAT-UHFFFAOYSA-N 378.859 4.547 0 50 GJAA COC(=O)c1cc(C)sc1NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 17079876 QJXJJKVVTJRYCH-UHFFFAOYSA-N 391.301 4.664 0 50 GJAA Fc1ccccc1CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19359441 BCIMJUSPIFNNQI-UHFFFAOYSA-N 376.475 4.936 0 50 GJAA CN1CCC(n2cnc(-c3ccccc3)c2-c2ccc(-c3ccn[nH]3)s2)CC1 67920327 FVXVMOPEUIJKKT-UHFFFAOYSA-N 389.528 4.935 0 50 GJAA CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 184377677 NVECHVUZKQVFNO-OAQYLSRUSA-N 386.879 4.791 0 50 GJAA C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)c1ccccc1 241231135 KSJHQVXTFYGNND-BHIYHBOVSA-N 378.541 5.490 0 50 GJAA Clc1cccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)c1 263619522 ZBVZRWLPOFCLER-KRWDZBQOSA-N 378.819 4.525 0 50 GJAA Cc1ccsc1-c1ccc(C(=O)Nc2cn(C)nc2-c2ccccn2)s1 1875260112 RKCNQOAMTUAVDP-UHFFFAOYSA-N 380.498 4.833 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C)C2 993936 QAOQTEJTCJHTIB-LBPRGKRZSA-N 375.465 4.830 0 50 GJAA CCOC(=O)Cc1csc(NC(=O)c2sc3cccc(F)c3c2Cl)n1 1054713 PTOKWJIWYPMRNN-UHFFFAOYSA-N 398.868 4.508 0 50 GJAA O=C(Nc1cccc(I)c1)c1ccccc1C(F)(F)F 1176202 NNURNVQSXKEYTD-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(F)cc4)nn23)cc1 2861116 YNXCFCRVYLYLRT-UHFFFAOYSA-N 382.464 4.868 0 50 GJAA O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccccc1)c1ccc(Cl)cc1 2877427 ZCZSDKGNECAPBF-QZTJIDSGSA-N 381.950 4.722 0 50 GJAA O=C(C1=CCCCC1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 11938155 CZVCEKDULCTAQV-JOCHJYFZSA-N 395.591 4.955 0 50 GJAA COc1ccccc1[C@H]1CN(Cc2cccc3c2OCO3)Cc2ccccc2O1 20351683 ZNONTAILQVKEBK-HSZRJFAPSA-N 389.451 4.560 0 50 GJAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)nc2)C1 67688707 ZGXQJBPANXMIRJ-CYBMUJFWSA-N 379.287 4.554 0 50 GJAA Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)n(-c2ccc(Cl)cc2)n1 171435011 YXFMUQOADXYNSB-UHFFFAOYSA-N 399.640 4.927 0 50 GJAA O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1csc2ccccc12 219975175 VLGMTYRMKMVUHJ-UHFFFAOYSA-N 380.903 4.965 0 50 GJAA in-vitro Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)CN2C)cc1 221603785 AOCPPFBBSZTNPG-RBZQAINGSA-N 383.491 4.980 0 50 GJAA CCc1ccc([C@@H](CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)N(C)C)cc1 221970507 HKICEHQDALVCMI-JLGNBMECSA-N 388.983 4.546 0 50 GJAA COc1cc(C)cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1O 436752673 SCPLWIXKSTYNID-GOSISDBHSA-N 385.510 4.620 0 50 GJAA CN(Cc1cc(-c2ccccn2)no1)Cc1cc(Cl)cc2c1OCC2(C)C 1506405289 YSFOJYRGEQUQOT-UHFFFAOYSA-N 383.879 4.692 0 50 GJAA FC(F)(F)Cc1cccc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)c1 1857732525 UZXVBUNDDYRRPJ-QGZVFWFLSA-N 380.410 4.556 0 50 GJAA COc1ccccc1C(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 1875255488 OYPWZPDUBLYFSZ-UHFFFAOYSA-N 375.255 4.682 0 50 GJAA Cc1cnccc1OC1CCN(C(=O)Nc2cccc(-c3cccnc3)c2)CC1 1875296581 DTZTVRTUQYRUMA-UHFFFAOYSA-N 388.471 4.527 0 50 GJAA COc1cnc(F)cc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 1875342637 AHHYKYPVQOXORV-UHFFFAOYSA-N 389.386 4.822 0 50 GJAA COc1cc(Cl)cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 1875365211 KMRXEBDFBWBWQQ-KRWDZBQOSA-N 399.796 4.581 0 50 GJAA COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1 677715 PDMRBSNNLYFDHY-UHFFFAOYSA-N 376.368 4.539 0 50 GJAA O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)n1cccn1 1114440 CTMZUDZHIPDTCX-UHFFFAOYSA-N 378.229 4.549 0 50 GJAA COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)cc1Cl 1218234 JDZUXBGHXWERAK-UHFFFAOYSA-N 384.259 4.645 0 50 GJAA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1 1225928 ZRKUNPONQAFOKU-VUUXHMSQSA-N 379.459 4.566 0 50 GJAA biogenic CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 2062844 XGBWFFGEBLLDPM-UHFFFAOYSA-N 385.847 4.878 0 50 GJAA CC[C@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)CCO1 2815110 CCJRNGSGDXZYOG-JWQCQUIFSA-N 391.511 4.898 0 50 GJAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccccc2Cl)CC1 11844556 COJHCHRIFKUJAS-UHFFFAOYSA-N 382.891 4.565 0 50 GJAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(CN3CCCC3)s2)C1 12757472 URMDCYLPWPBBSD-QGZVFWFLSA-N 388.602 4.809 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(c3ncccc3Cl)C2)c(C)c1 15071823 HYDZYMGHCXIWPK-INIZCTEOSA-N 387.911 4.687 0 50 GJAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(CCO)Cc1ccccc1 15078953 PPQWFGTWSFZRFS-UHFFFAOYSA-N 390.405 4.663 0 50 GJAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC([C@@H](O)c2ccccn2)CC1 20707176 WDEVPXJRKQHSOB-OAQYLSRUSA-N 396.874 4.581 0 50 GJAA COC(=O)C1=CCCCCCCCCCCC(N2CCCC2)=C1C(=O)OC 254499844 QLOZEABGYOOGMY-UHFFFAOYSA-N 377.525 4.523 0 50 GJAA C[C@H](O)c1ccc(CNC(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)cc1 377905964 NYBREAJYTPDBGJ-MSOLQXFVSA-N 389.499 4.705 0 50 GJAA O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CC[C@@H](c2ccccc2)C1 746798866 LIXWALYEZVVCMR-QGZVFWFLSA-N 385.389 4.521 0 50 GJAA COc1cccc(-c2cc(CNC3CCN(c4cccc(C)c4C)CC3)on2)c1 1506403674 UVHGGCMOAYDCJS-UHFFFAOYSA-N 391.515 4.726 0 50 GJAA CO[C@@H](C(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1O 1875338895 PNLMVYQVWIUGIZ-SOVGHPHASA-N 393.405 4.708 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)o1 656380 QBSNXCKHSQWUEF-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1N1CCCC1 1123746 SIPAWLSDRYKVKF-UHFFFAOYSA-N 389.293 4.619 0 50 GJAA CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 1185829 AMCNAFFNBFRBCT-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc(C)c1C 1773641 WWRFOLPIXRDNMQ-UHFFFAOYSA-N 395.908 4.993 0 50 GJAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 2795579 FFTUOJNFBVRMNM-MRVPVSSYSA-N 380.197 4.792 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 4913120 RWADYZHYYTVSDS-OAHLLOKOSA-N 384.303 4.850 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 5041544 MMAFZVOBOIVNPW-UHFFFAOYSA-N 377.366 4.585 0 50 GJAA CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1cccc2cnccc12 12459188 GGNWLTFNKZEOGI-UHFFFAOYSA-N 398.388 4.936 0 50 GJAA CCc1ccc(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)o1 12708093 JPHCLZIFYLSSGD-UHFFFAOYSA-N 388.939 4.804 0 50 GJAA OCC1CCN([C@@H]2CCCN(Cc3cccc4c3sc3ccccc34)C2)CC1 22929056 KUMMQKNFYDGUKT-HXUWFJFHSA-N 394.584 4.723 0 50 GJAA O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 45348296 SPBGRXOPAXZSER-UHFFFAOYSA-N 397.352 4.982 0 50 GJAA in-vitro CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC 100011979 OMFNSKIUKYOYRG-MOSHPQCFSA-N 397.515 4.925 0 50 GJAA world Cc1cccnc1-c1noc(-c2cccc(-c3nc(-c4ncccc4C)no3)c2)n1 219037483 HGQUVKUXAVMIFB-UHFFFAOYSA-N 396.410 4.527 0 50 GJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)c1C 238997255 ACRGBEQNXUSBQC-ZNHHMURHSA-N 385.463 4.653 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 239439063 ZJPUBPDRVNYLRK-ZRGHVXQMSA-N 381.431 4.944 0 50 GJAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@H]1c1cccnc1 299776749 GWLPFTPOZDRGGP-IBGZPJMESA-N 375.476 4.550 0 50 GJAA O=C(NCc1cnc(O)c2ccccc12)N1CC2(CC=CC2)[C@H]1c1ccccc1 924821977 UBNROXQETPKCQA-OAQYLSRUSA-N 385.467 4.543 0 50 GJAA CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1ccc2nnc(C(C)(C)C)n2c1 2325738963 JBUKGMWWTMTQBI-UXHICEINSA-N 390.531 4.744 0 50 GJAA Cc1ccc([C@H]2C[C@@H](OC(=O)c3ccc(-n4ccnc4)cc3C)CCO2)cc1 2325742616 MKBBJKIPBRTBAD-RBBKRZOGSA-N 376.456 4.566 0 50 GJAA COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc3ccccc3c2)n1 626150 NJFXVKJLVMTOBQ-UHFFFAOYSA-N 377.835 4.680 0 50 GJAA O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2ccccc2c1 632529 FHFASLUGZPOYFH-UHFFFAOYSA-N 383.234 4.739 0 50 GJAA O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(F)cc1 633400 SXXVHQYWILACKK-UHFFFAOYSA-N 391.518 4.700 0 50 GJAA O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1 643342 FXKYZLLCTZOZEG-UHFFFAOYSA-N 389.480 4.541 0 50 GJAA COCCn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 2838338 FEWAZUYIIHFQIA-UHFFFAOYSA-N 389.524 4.961 0 50 GJAA O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 2882988 HKLVIPMSTPPXLS-UHFFFAOYSA-N 394.814 4.543 0 50 GJAA O=S(=O)(Oc1c(Cl)cccc1Cl)c1ccc(Br)cc1 2999612 UHJOEYMNNLWKTR-UHFFFAOYSA-N 382.062 4.524 0 50 GJAA Cc1ccccc1OC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 4832474 WUQLIJJPZVMJTA-KBFCKHRLSA-N 386.447 4.799 0 50 GJAA Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC(Cc4ccc(F)cc4)=NO3)cc2)o1 11788322 KJOLPSOORHZXTE-NRFANRHFSA-N 392.430 4.512 0 50 GJAA Cc1ccc(C2(c3noc(CN(C)Cc4ccncc4C)n3)CCCC2)cc1 19224973 FYZLGVBPEJBNJJ-UHFFFAOYSA-N 376.504 4.574 0 50 GJAA Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 20100630 YBWPEZZOXADLLU-UHFFFAOYSA-N 387.317 4.706 0 50 GJAA Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 33078139 FIOXELDRIOTGRI-UHFFFAOYSA-N 391.450 4.520 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N([C@@H]1CCSC1)CC2 43159180 ZAYLDBJBXASQCG-DYESRHJHSA-N 389.948 4.810 0 50 GJAA Cc1ccc(C(=O)Nc2cc(NC(=O)[C@H]3CCOC(C)(C)C3)ccc2C)cc1 55270628 UDXLFUQHSXFRBM-SFHVURJKSA-N 380.488 4.699 0 50 GJAA CCOCCOc1cccc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 96180500 YGQRPNYHXXXEEA-UHFFFAOYSA-N 384.451 4.562 0 50 GJAA Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 170634371 GNXQSJFVZXSUAV-HXUWFJFHSA-N 376.456 4.701 0 50 GJAA CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H](c2ccccc2)C2CCCC2)no1 177427938 WSAJREVJKFFVBD-RBUKOAKNSA-N 382.508 4.971 0 50 GJAA O=C(c1ccc(Cl)cc1)N1CC(c2ncc(C(F)(F)F)cc2Cl)C1 263639630 AYEJHECCYNYJJU-UHFFFAOYSA-N 375.177 4.647 0 50 GJAA Cc1nc(-c2ccccc2NC(=O)N2CCCC[C@H]2c2ccnn2C)cs1 370715802 IIUMEBIRXKSMLQ-IBGZPJMESA-N 381.505 4.611 0 50 GJAA FC(F)(F)Oc1ccccc1-c1noc(C2=NO[C@@H](c3ccccc3)C2)n1 761582541 ZWCYGZVCUIKIBU-OAHLLOKOSA-N 375.306 4.501 0 50 GJAA Cc1cccc([C@@H](NC(=O)c2ccc(CSc3ccccn3)cc2)C2CC2)n1 952981595 MPIRSVLPIRPJCW-QFIPXVFZSA-N 389.524 4.958 0 50 GJAA COc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)c1 1115274 QHFIAPGQHJWVGG-RCCKNPSSSA-N 385.419 4.619 0 50 GJAA COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 1144602 OILDPKKYPZBYGJ-UHFFFAOYSA-N 390.464 4.989 0 50 GJAA CCCCOc1ccccc1NC(=O)COc1ccc(C)cc1Br 1777470 SHVAUYFRXNHBGV-UHFFFAOYSA-N 392.293 4.954 0 50 GJAA Cc1ccc(-n2c(S)nnc2Cc2c[nH]c3ccccc23)c(Br)c1 2409954 KDWGXYJFKBCNNZ-UHFFFAOYSA-N 399.317 4.699 0 50 GJAA Cc1ccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1C 2829421 CPVBAASECDRXON-UHFFFAOYSA-N 388.389 4.950 0 50 GJAA COc1ccc(CCc2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3877554 ZKEPRUZLOHCYEA-UHFFFAOYSA-N 391.511 4.997 0 50 GJAA CC(=O)c1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)cs1 15062242 NHAADDZTSITURT-GOSISDBHSA-N 387.455 4.582 0 50 GJAA Cc1ccccc1-n1ncc(C(=O)Nc2ccc(F)c(F)c2F)c1C(F)(F)F 120637130 ATDNJEUMZSWIIS-UHFFFAOYSA-N 399.294 4.869 0 50 GJAA C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(-c2cncnc2)cc1 170646457 DXWBUMYBLUVEFI-CYBMUJFWSA-N 375.457 4.636 0 50 GJAA O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@@H](C2CCOCC2)C1 333297217 BJQYBCAFQQJQTG-CQSZACIVSA-N 391.924 4.744 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1Cl 828047858 KRSBAAYYRIJRFR-UHFFFAOYSA-N 380.822 4.784 0 50 GJAA Cc1ccccc1-n1nc([C@H]2CC2(C)C)nc1-c1cccc2oc(N(C)C)nc12 1875349115 NABWPJOBAVLNMO-MRXNPFEDSA-N 387.487 4.963 0 50 GJAA COc1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 1161349 YGMNPEMQCXLTHA-UHFFFAOYSA-N 379.799 4.942 0 50 GJAA Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3C)nc2c1 1218886 KXDNMDJIZZAPIW-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA O=C(Cc1ccccc1)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 1446750 SLNBHDHFSIFFDP-HNNXBMFYSA-N 392.113 4.807 0 50 GJAA C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 2057706 NWFQPWPPOUZDJU-HNNXBMFYSA-N 394.858 4.998 0 50 GJAA CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(F)c3)c(C)c2oc1=O 2092165 YJKSBPPWWYHUPB-UHFFFAOYSA-N 398.430 4.624 0 50 GJAA biogenic COc1ccc(CNCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 2101765 MSMGILWIFGCKCS-QFIPXVFZSA-N 375.468 4.736 0 50 GJAA biogenic CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccs1 2373543 GSDJIJRLVNPRPA-UHFFFAOYSA-N 396.900 4.550 0 50 GJAA Cc1ccccc1OCCOc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 2991033 VFQPRNMBHPWRAB-XLNRJJMWSA-N 399.446 4.797 0 50 GJAA COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1NC(=O)C(C)C 3017794 AQGRUXQIVNCPNR-UHFFFAOYSA-N 392.908 4.674 0 50 GJAA O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1 5102934 HUTNDZDFGQTVGD-UHFFFAOYSA-N 376.544 4.767 0 50 GJAA COc1ccc(N2C(=O)/C(=C/Nc3cccc(C)c3C)c3ccccc3C2=O)cc1 8657443 JNQDDMKXTFUAOX-PXLXIMEGSA-N 398.462 4.952 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2cccc(Br)c2)s1 9301152 UEDUFAQWUKHGQA-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA CCOc1ncc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1Cl 170602644 RKPTYZJSRVEEQS-UHFFFAOYSA-N 399.878 4.603 0 50 GJAA C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622920 DPRJDEIBJFCCER-LBPRGKRZSA-N 375.350 4.589 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257357871 QNCHNEOJTWMTPT-IOFFNKKASA-N 383.576 4.715 0 50 GJAA O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 2325700756 AWPNECYMFSFCCH-JOCHJYFZSA-N 397.478 4.769 0 50 GJAA COc1ccc(Nc2nc(C(=O)N3CCc4ccc(F)cc4[C@@H]3C)cs2)cc1 2325738949 VQOMHSSCISOLCZ-ZDUSSCGKSA-N 397.475 4.794 0 50 GJAA Cc1cnnc(-c2cccc(C(=O)N(C)Cc3csc(C(C)C)n3)c2)c1C 2356167357 NCJKHOVFTXZIGZ-UHFFFAOYSA-N 380.517 4.613 0 50 GJAA CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1 607289 AEJOEPSMZCEYJN-HXUWFJFHSA-N 391.342 4.831 0 50 GJAA in-vivo CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC)cc1 717932 JRCJTLVUUFDJDC-UHFFFAOYSA-N 375.639 4.971 0 50 GJAA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Br)o1 1065213 ZKJLCZAAIZJEEX-UHFFFAOYSA-N 383.673 4.938 0 50 GJAA O=C(CSCc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 1115902 KGQJPVDMCCHPRQ-UHFFFAOYSA-N 382.510 4.872 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 1217659 JFJXROZOLUQIBR-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c1 2951601 QURVYHBJDSYMNV-UHFFFAOYSA-N 394.427 4.582 0 50 GJAA CCOc1cc(-c2noc(-c3ccccc3Br)n2)ccc1OC 4809687 VCCLAWJUIRCUJQ-UHFFFAOYSA-N 375.222 4.573 0 50 GJAA CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 8614069 CIFWJIIFILKYAV-UHFFFAOYSA-N 377.400 4.751 0 50 GJAA COc1ccccc1NC(=O)[C@H]1CC12CCN(CC[C@@H](C)c1ccc(C)o1)CC2 12133392 NHAWIMIHFZOBHP-IEBWSBKVSA-N 396.531 4.831 0 50 GJAA CCc1ccccc1NC(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 12440834 SNLHJLIBYPABKI-UHFFFAOYSA-N 379.504 4.912 0 50 GJAA Cc1cccc(-n2cc(CN(C)Cc3ccon3)c(-c3cccc(F)c3)n2)c1 12715026 BGQUJWKRSVLWFF-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 55152900 HARVFGYHTIRLQW-VMPITWQZSA-N 389.421 4.568 0 50 GJAA Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(C(F)(F)F)n1 170606908 NHIMVZLVOGNFEG-BQYQJAHWSA-N 386.805 4.567 0 50 GJAA COc1ccc([C@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)cc1OC 193164192 ZUYGWKOHVHPLQA-LJQANCHMSA-N 377.444 4.621 0 50 GJAA Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229678959 PERMOIRFWGSMSH-YBOAYWMSSA-N 380.492 4.914 0 50 GJAA COC(=O)[C@@]1(Cc2ccccc2)[C@H]2[C@@H]3[C@H]4[C@H]5C(=C6[C@@H]4[C@@H]4[C@@H]3[C@H]1[C@@H]1CC[C@@H]6[C@@H]41)CC[C@H]52 257358264 SMXBRNWVWVAOTE-KHUDRQNRSA-N 398.546 4.749 0 50 GJAA C[C@H](c1ccccc1)N(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCC1 328595639 ZSVZZBFBROVBCM-LJQANCHMSA-N 390.527 4.955 0 50 GJAA CSC[C@@H](C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 390832860 GZXJBBXFVZOULG-FYYLOGMGSA-N 396.600 4.552 0 50 GJAA O=C(NCCOC1CCCC1)c1cc(-c2cccs2)nc2onc(C3CC3)c12 1875253905 OGPPHGJCEPSUOL-UHFFFAOYSA-N 397.500 4.518 0 50 GJAA Cn1cc(C(=O)N2CCOc3ccccc3[C@@H]2C(F)F)c2cccc(Cl)c21 1875355035 XXDASHSMKHREIA-GOSISDBHSA-N 390.817 4.673 0 50 GJAA Cc1cc(Cl)ccc1C1(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 2325740703 RJZCMLKYSJDVAS-INIZCTEOSA-N 396.918 4.684 0 50 GJAA CCc1ccc([C@@H](NC(=O)c2cc(C)nn2C2CC2)c2cccc(F)c2)cc1 2325828861 UBTAGTQOYKHYOU-JOCHJYFZSA-N 377.463 4.747 0 50 GJAA O=C(N[C@@H](CC1CCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 621923 HIJAUEZBPWTKIV-QFIPXVFZSA-N 393.483 4.949 0 50 GJAA biogenic COc1ccc(Cl)cc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 856954 KXQUOKBEJPYQCX-INIZCTEOSA-N 380.875 4.930 0 50 GJAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1SC(F)(F)F 916965 PDFCYYUARWPSJM-AWEZNQCLSA-N 398.431 4.740 0 50 GJAA O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(F)cc1 1122594 DYUFDYLXZIBWDX-UHFFFAOYSA-N 378.428 4.712 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CCC2 1772504 BFQSJNKOZYVRHL-UHFFFAOYSA-N 387.501 4.520 0 50 GJAA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 2903322 KYTFVXSFNKOEQW-UHFFFAOYSA-N 376.478 4.535 0 50 GJAA CC(C)[C@@H]1C[C@@](CCNCc2ccc3c(c2)OCO3)(c2ccccc2)CCO1 4037968 CNIGJORLWLOETQ-ZEQRLZLVSA-N 381.516 4.668 0 50 GJAA biogenic Cc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(C)c3)cc(C(=O)O)c2)c1 4870327 ZGDILWHLGKBIAF-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA COC1CCN(Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 11766530 WTIKKPGNJOTUNK-UHFFFAOYSA-N 397.469 4.737 0 50 GJAA Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 12407707 BMTZXFLTDQSVFB-SFHVURJKSA-N 398.915 4.986 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccoc3)C2)cc1Cl 15073876 KBSJXBOIGPFBLY-OAHLLOKOSA-N 376.884 4.573 0 50 GJAA C[C@@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccc(Cl)cc4)c(=O)c23)C1 17077116 CBTFFZGSBCQPRL-SNVBAGLBSA-N 376.934 4.947 0 50 GJAA Cc1ccccc1CN(C)[C@H](c1ccccc1)c1nnnn1-c1ccccc1C 55447622 ISBJXJMWZQGYLO-HSZRJFAPSA-N 383.499 4.501 0 50 GJAA CN(C)[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(O)cc1)c1ccccn1 65395080 GCGBTTIDUDBXHG-QFIPXVFZSA-N 384.483 4.621 0 50 GJAA CCCc1cc(C(=O)N(Cc2cccnc2)[C@H]2CCCc3ccccc32)no1 82158533 XFPRVVAFGGBBRD-QFIPXVFZSA-N 375.472 4.742 0 50 GJAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 110046379 RMQSGXKESXUHTE-MGPUTAFESA-N 386.499 4.560 0 50 GJAA c1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCC3)=N2)cc1 139418539 RSBSWYBZVIWBOP-VXKWHMMOSA-N 388.511 4.627 0 50 GJAA CC(C)c1nnc([C@H]2CN(C(=O)Nc3cccc(-c4cccs4)c3)CCO2)o1 275227382 BCPQPOYQNSOBCS-MRXNPFEDSA-N 398.488 4.527 0 50 GJAA COc1ccc(-c2nc(CNc3cccc(Cn4ccnc4)c3)cs2)cc1 1875252569 HNQFNLQDDPDKHG-UHFFFAOYSA-N 376.485 4.676 0 50 GJAA CC[C@H](NC(=O)Nc1c(-c2ccccc2)c(C)nn1C)c1ccc(F)cc1F 1875303562 DJGIACNUTPNVOQ-SFHVURJKSA-N 384.430 4.947 0 50 GJAA COc1cc([C@H](C)NC(=O)[C@@H](N)c2ccc(F)c(Cl)c2)cc2ccccc12 2325860523 KNWFWYUIJCHQLI-YUNKPMOVSA-N 386.854 4.518 0 50 GJAA COc1ccc(-c2cc(OC(=O)c3ccco3)c3c(C)oc(C)c3c(=O)c2)cc1 1094566 DKORUICJOZUQIM-UHFFFAOYSA-N 390.391 4.898 0 50 GJAA C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ccccc1)c1ccccc1 1141963 KUFZKUBBNWKECX-QGZVFWFLSA-N 390.508 4.908 0 50 GJAA COc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)cc1Cl 1145707 XLDITVWRGPIRGR-UHFFFAOYSA-N 398.684 4.745 0 50 GJAA C[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1F 12383977 DZHDAWHJDALFCF-OAHLLOKOSA-N 391.421 4.854 0 50 GJAA Fc1ccccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 17076811 AEOMROZKICIIIV-CQSZACIVSA-N 375.494 4.617 0 50 GJAA O=c1c2ccccc2nc2sc(COc3ccc(-c4ccccc4)cc3)nn12 17078689 JAAOATBSZVVBSD-UHFFFAOYSA-N 385.448 4.550 0 50 GJAA OC[C@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 72481532 HUTVNCQPTTUAKP-INIZCTEOSA-N 399.897 4.536 0 50 GJAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@@H]1CCc1cccc(O)c1 77356058 YCLPYXIGJBZULD-LJQANCHMSA-N 376.456 4.675 0 50 GJAA Cc1cc2cc(NC(=O)NC3(c4ccc(F)cc4F)CCOCC3)ccc2[nH]1 179131851 XPUPQKJLCRPRPQ-UHFFFAOYSA-N 385.414 4.582 0 50 GJAA O=C(N[C@@H]1CCc2c(C(=O)O)cccc21)OCC1c2ccccc2-c2ccccc21 1857782903 ATEDIMVOPSVUMR-HSZRJFAPSA-N 399.446 4.911 0 50 GJAA O=C(CSc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1)c1ccccc1 636679 IPNCJAOHNAKVEQ-UHFFFAOYSA-N 398.487 4.875 0 50 GJAA Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)cc1 1205742 TZUCMQGDEDDDOL-UHFFFAOYSA-N 395.480 4.632 0 50 GJAA O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 2385479 BWODEJGTGMVRPC-UHFFFAOYSA-N 388.169 4.952 0 50 GJAA O=C(Nc1ccc(F)cc1)c1ccn(COc2c(Cl)cccc2Cl)n1 2795737 XCLCGQIITUNCQL-UHFFFAOYSA-N 380.206 4.618 0 50 GJAA CCOc1ccc([C@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OCC 4126420 JVNMHOOOQPYSNK-HSZRJFAPSA-N 385.504 4.517 0 50 GJAA biogenic CC1(C)Cc2c(sc3[nH]c(=S)n(-c4cccc(Cl)c4)c(=O)c23)CO1 6241289 XHNJPRLKIMDHHK-UHFFFAOYSA-N 378.906 4.614 0 50 GJAA O=C(NCC1(C(=O)O)CCCCC1)OCC1c2ccccc2-c2ccccc21 14632719 XCPORARHBOYMBL-UHFFFAOYSA-N 379.456 4.560 0 50 GJAA CC[C@H]1CCCCN1C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 63883671 FIYAYVLPLMJYOQ-SFHVURJKSA-N 376.504 4.657 0 50 GJAA Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4cnco4)cc3)c3c2CCC3)cc1 133296942 SXNKQYBXDCLCLF-UHFFFAOYSA-N 384.439 4.577 0 50 GJAA C[C@@H]1CC[C@@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 170608150 LEKUIOBLMBPCSS-AEFFLSMTSA-N 399.585 4.833 0 50 GJAA Cc1ccc(-c2ocnc2-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)cc1 225508647 JYIZMRTTZJOGTJ-UHFFFAOYSA-N 398.426 4.565 0 50 GJAA CC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 239121038 JEKQPZGODPLINH-NGSHPTGOSA-N 375.487 5.515 0 50 GJAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N[C@H](C)C2=CCCCC2)cc1 1704314128 OXRNYPQCNWLYHF-MRXNPFEDSA-N 395.503 4.569 0 50 GJAA c1ccc(-c2n[nH]cc2CNc2nc(-c3ccccn3)nc3sccc23)cc1 1875339614 QGIVILWEBBEWBK-UHFFFAOYSA-N 384.468 4.756 0 50 GJAA Cc1cc(C)c(C(=O)CSc2nnnn2-c2cccc3ccccc23)c(C)c1 645805 JKFYBJUIVIQQRN-UHFFFAOYSA-N 388.496 4.716 0 50 GJAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1 693018 LRZDWJSTQDTGRF-UHFFFAOYSA-N 375.453 4.955 0 50 GJAA Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919435 RGJIBVUOHKDOLN-CJNGLKHVSA-N 390.365 4.697 0 50 GJAA O=c1c2c(n3cnnc3n1C1CCCCC1)-c1ccccc1CC21CCCCC1 2183174 XQBXSCWJVXBYEX-UHFFFAOYSA-N 388.515 4.821 0 50 GJAA CCc1cc(C(=O)Nc2c(F)c(F)c(Br)c(F)c2F)cs1 4750552 PGUYEXXTIFHRNM-UHFFFAOYSA-N 382.176 4.882 0 50 GJAA CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 4868222 LFNLLUONUHFKIG-UHFFFAOYSA-N 388.467 4.610 0 50 GJAA COc1cc(CO)c(Br)cc1OCc1ccc(Cl)cc1Cl 4978085 QSPKIRLBNWSZKF-UHFFFAOYSA-N 392.076 4.836 0 50 GJAA COc1ccc(F)c(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 15076063 YKFDYNIISANDGW-OAQYLSRUSA-N 381.451 4.920 0 50 GJAA COc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1OC 19359668 XYHSTGHCBNKVEA-UHFFFAOYSA-N 394.559 4.548 0 50 GJAA Cc1ccc(-n2cc(CN(C)CCC(C)(C)O)c(-c3ccc(F)cc3)n2)cc1 72474616 QKXNEQXTDFJGJZ-UHFFFAOYSA-N 381.495 4.580 0 50 GJAA Cc1nccn1[C@@H](C)Cc1nc(C2CC2)nn1-c1cc(Cl)ccc1Cl 96131068 QVLPPTUXEYCOMX-NSHDSACASA-N 376.291 4.760 0 50 GJAA Clc1ccccc1C1=C[C@@H](c2c(Cl)cccc2Cl)n2nnnc2N1 101087308 PQQDEEVTORQGKS-AWEZNQCLSA-N 378.650 4.689 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 132024719 BTYIPUVZHHJVID-QFBILLFUSA-N 396.874 4.954 0 50 GJAA C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 220607740 MSORXWUMWOFHDU-GOSISDBHSA-N 382.467 4.768 0 50 GJAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C 257350451 XNTYYYINMGRBQW-LNPPKKKLSA-N 388.548 4.894 0 50 GJAA Cc1nc(C2(NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc34)CCCCC2)no1 332675535 BHKBHYWUFVXWHN-UXHICEINSA-N 375.472 4.611 0 50 GJAA Cc1ccccc1-n1cc(CN(C)C(=O)N[C@H](CC(C)C)c2cccnc2)cn1 534581285 QQPSEHBDAYYRNK-OAQYLSRUSA-N 391.519 4.505 0 50 GJAA Cc1ccc(N2CCC(NC[C@H](c3ccccc3F)N3CCCC3)CC2)cc1 1506407028 TTWOEJIYNMRRKP-XMMPIXPASA-N 381.539 4.530 0 50 GJAA Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 681059 GLZRHPFUGDRELY-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1-c1ccccc1 937584 VALTUWLUFUCNNB-UHFFFAOYSA-N 381.453 4.528 0 50 GJAA Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2C)cc1 1146969 XBSFFVJEMDVKIB-UHFFFAOYSA-N 386.908 4.577 0 50 GJAA O=C1C[C@@H](c2ccccc2)c2cccc(N3CCN(c4ccc(F)cc4)CC3)c21 1388209 SGVCBQYTDKLCKT-QFIPXVFZSA-N 386.470 4.871 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)O)C1 4724103 GCJUIPVZVSDRKW-LLVKDONJSA-N 375.465 4.989 0 50 GJAA C[C@@H]1CCC[C@@H](C)N1CCCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 11681735 DTOKETCXTCHCDD-LGVFNWMJSA-N 394.559 4.966 0 50 GJAA in-vitro COc1ccccc1-c1nc2ccc(C)cc2cc1CNCc1cnn(C)c1C 11790671 IEBPTYFXMMGVID-UHFFFAOYSA-N 386.499 4.551 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCCc2ccccc2)C1 11874611 DEXLEDUENKTPCE-XMMPIXPASA-N 392.587 4.731 0 50 GJAA Cn1c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)nc2cc(F)ccc21 119190180 TZYXTYGYLYCLJN-UHFFFAOYSA-N 380.810 4.680 0 50 GJAA Cc1cc(F)ccc1-c1ccc(CNc2cccc(N3CCCNC3=O)c2)o1 152147865 ALTDJIKPDIGMJJ-UHFFFAOYSA-N 379.435 4.926 0 50 GJAA Cc1cc(Br)cnc1NC(=O)c1cnc(-c2ccccc2F)s1 156575139 MIPSXXMRXMXBDD-UHFFFAOYSA-N 392.253 4.667 0 50 GJAA COc1ccccc1CC1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1 158240852 WXNJVUMRPORYLD-UHFFFAOYSA-N 379.460 4.631 0 50 GJAA Brc1cccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 257370767 HEGRQVZYUPRVKO-PMACEKPBSA-N 377.370 4.678 0 50 GJAA CC[C@@H]1[C@H](O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCO)[C@]3(C)CC[C@H]2[C@]2(C)CC[C@H](O)C[C@H]12 669678960 HYCMOIGNYNCMRH-HPQSWGCZSA-N 392.624 4.632 0 50 GJAA Cc1ccc(SC2CCN(C(=O)c3cccc(NC(=O)C(C)C)c3)CC2)cc1 827621537 AGVBUDJFRLYQNC-UHFFFAOYSA-N 396.556 4.986 0 50 GJAA COc1ccc(-c2cc(C(=O)N3C[C@H]4CC=CC[C@@H]4C3)nn2-c2ccccc2)cc1 1875260381 HQUDEVMUUWAQAZ-WOJBJXKFSA-N 399.494 4.586 0 50 GJAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)n(Cc2ccccn2)n1 2332237419 NPYJOHAJZCGSLT-UHFFFAOYSA-N 383.883 4.921 0 50 GJAA Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919434 RGJIBVUOHKDOLN-BBRMVZONSA-N 390.365 4.697 0 50 GJAA Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccccc1 1146169 DJZSNZIBIZUWDT-UHFFFAOYSA-N 393.299 4.613 0 50 GJAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Br)cc12 1160047 INHQNOMYMYEXIH-UHFFFAOYSA-N 389.201 4.510 0 50 GJAA biogenic CC(C)OP(=O)(OC(C)C)[C@H](OC(N)=O)c1ccc(Br)cc1 2478668 PROPYJWTXMIWAU-ZDUSSCGKSA-N 394.202 4.586 0 50 GJAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccnc1Cl 2765868 HWOGEKBPYFJFOZ-UHFFFAOYSA-N 388.858 4.518 0 50 GJAA CCOc1ccccc1-c1nn(CN2CCCCC2)c(=S)n1-c1ccccc1 6659173 MFAZBNTVLMKIRE-UHFFFAOYSA-N 394.544 4.912 0 50 GJAA Cc1ccc(-c2c(C)nn3c(N4CCN(c5ccccc5)CC4)cc(C)nc23)cc1 7572471 YUELYCKVVWGWAE-UHFFFAOYSA-N 397.526 4.648 0 50 GJAA Cc1cc(OCC(=O)Nc2ccccc2OC[C@H]2CCCO2)cc(C)c1Cl 10155664 IJOCXOGFSCTHNB-MRXNPFEDSA-N 389.879 4.532 0 50 GJAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(Cl)c2)oc1C)C1CC1 12595985 WMDNLVZWUFDDAM-UHFFFAOYSA-N 384.911 4.818 0 50 GJAA CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20608057 HCQHGIHIZXBVMV-UHFFFAOYSA-N 379.407 4.940 0 50 GJAA Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-c3ccno3)cc2)cc1 20616332 KOGQBMRMNYMZPE-UHFFFAOYSA-N 389.411 4.778 0 50 GJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 22455425 ALEFCVQKRMTJIQ-IUYMFKLXSA-N 388.477 4.967 0 50 GJAA CN1C[C@]2(CCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)OC1=O 72463158 KKWKQAFOVVQEPF-NRFANRHFSA-N 386.879 4.549 0 50 GJAA Cc1oc(-c2ccccc2F)nc1C(=O)Nc1c(F)cccc1N1CCCC1 119386462 XUVUDZHCSVQEBT-UHFFFAOYSA-N 383.398 4.781 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1cncc(C=O)c1 169794703 JZRSFXHYBYDTDV-UHFFFAOYSA-N 396.163 4.950 0 50 GJAA Cc1ccnc(-c2ccc(NC(=O)NC3(c4cccc(Cl)c4)CC3)cc2)n1 170637546 DRARYKFTRFMRAE-UHFFFAOYSA-N 378.863 4.916 0 50 GJAA COCCn1ccc2ccc(NC(=O)N(C)[C@@H](C)c3sc(C)nc3C)cc21 179447101 CCUDBKXEMXMMOY-AWEZNQCLSA-N 386.521 4.586 0 50 GJAA O=C(c1cccn1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 214964340 GLXYRLGBKWTRRH-UHFFFAOYSA-N 384.483 4.584 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 245170781 XGDNAHHETPDYMY-IRLDBZIGSA-N 391.858 4.986 0 50 GJAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 252394277 DDACRHHJILWIBA-HVHOJJEHSA-N 387.608 4.779 0 50 GJAA O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1ccc(-c2ccccc2)cc1 253426056 XNWLKPLGTRBFHP-UHFFFAOYSA-N 393.493 4.673 0 50 GJAA CC1CCN(C(=O)c2cccc(-c3ccc(-c4ccc(F)cc4)nn3)c2)CC1 534591479 IOGCQPBELCUPIY-UHFFFAOYSA-N 375.447 4.822 0 50 GJAA c1ccc2sc(N3CCCN(Cc4ccc([C@@H]5CCCCO5)o4)CC3)nc2c1 952960169 CDXBGOVBBRXOHD-IBGZPJMESA-N 397.544 4.843 0 50 GJAA C[C@@H](CCN1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1)c1ccccc1 2100534476 KFJUJEKTWRHPJR-KRWDZBQOSA-N 377.532 4.533 0 50 GJAA CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc3c(c2)CCC[C@H]3N)n1 2325822015 WTEVVELEVAZTHR-GOSISDBHSA-N 387.487 4.594 0 50 GJAA Cc1nc(NC(=O)c2ccc(CN3CCCC3)o2)cc(-c2ccccc2)c1C 2356170778 MEDMQLFULOOLEV-UHFFFAOYSA-N 375.472 4.807 0 50 GJAA CCO[P@@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)c1ccccc1 2694734 OFJAWDNIQTVLPN-XMMPIXPASA-N 384.199 4.661 0 50 GJAA COc1ccc(CCC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 2764158 DNJQNXKNPCWURZ-UHFFFAOYSA-N 397.906 4.782 0 50 GJAA CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccco1 8620548 BQIRHROZLGTECO-UHFFFAOYSA-N 397.287 4.596 0 50 GJAA O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1cccnc1 12080282 KLAXBJDABMKEAI-MRXNPFEDSA-N 398.384 4.501 0 50 GJAA Cc1c([C@H](C)NCc2cccn2-c2ccc(Cl)cn2)cnn1-c1ccccc1 12589371 BXIJSNBDIVECNO-INIZCTEOSA-N 391.906 4.871 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)C2CCCC2)C1 39362167 MVLDJRWWJQGDGI-HXUWFJFHSA-N 394.490 4.860 0 50 GJAA CC(=O)N1CCCN(Cc2ncc(-c3ccccc3Cl)o2)c2ccccc21 174868182 GVHBMRCZEBYWAR-UHFFFAOYSA-N 381.863 4.758 0 50 GJAA O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 241371365 MMZSDAKWUXKTFY-IPMKNSEASA-N 378.299 4.727 0 50 GJAA CC(C)(C)c1cc(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)n(-c2ccccc2)n1 242273730 YFLXIDPCNZJUOK-MOPGFXCFSA-N 394.563 4.620 0 50 GJAA CCCSc1ccccc1NC(=O)N1CCC[C@@H](OCc2ccccn2)C1 299773756 HVQITCQEIZPUMU-GOSISDBHSA-N 385.533 4.797 0 50 GJAA CCn1c(C)cc2cc(NC(=O)N3CCCC[C@@H]3CCn3ccnc3)ccc21 299791908 DANDEPANFMKYRA-HXUWFJFHSA-N 379.508 4.643 0 50 GJAA CCC(=O)c1cccc(-c2cccc(C(=O)NCC[C@@H](C)n3ccnc3)c2)c1 426388060 VOCHQCYPYROUDI-QGZVFWFLSA-N 375.472 4.524 0 50 GJAA CCc1cccc(C)c1NS(=O)(=O)c1cc(C)c(Br)cc1C 1875318081 DFPGNWBVZOOHFA-UHFFFAOYSA-N 382.323 4.738 0 50 GJAA COc1ccccc1-n1ncc(C(=O)O[C@@H]2CCC[C@H]2c2ccccc2)c1C 1875335854 JIBVXMCMPOMVNH-GHTZIAJQSA-N 376.456 4.682 0 50 GJAA Cc1ccc(S[C@H](C)C(=O)Nc2cccc(I)c2)cc1 1066143 WPRZIBDUYZMYGQ-GFCCVEGCSA-N 397.281 4.719 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1O 1179654 AMCZIPXBSWGTET-UHFFFAOYSA-N 376.909 4.778 0 50 GJAA Cc1cc(C)c2oc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 1207949 ZCTXCTFUGDKCEX-UHFFFAOYSA-N 378.453 4.912 0 50 GJAA Cc1cccc(-c2nc(CSc3nnc(-c4cccnc4)n3C)cs2)c1 6726414 SATKQMKCBXOFMA-UHFFFAOYSA-N 379.514 4.601 0 50 GJAA Cc1cnnn1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13690727 MBATUDAUAPBUPA-UHFFFAOYSA-N 380.757 4.500 0 50 GJAA CCSCCN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCCCC1 91535390 JVAZWCSJZPZIHA-UHFFFAOYSA-N 375.513 4.744 0 50 GJAA CCN(Cc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1)C(C)=O 170618119 BVEFDYVYUJPDIH-UHFFFAOYSA-N 397.482 4.804 0 50 GJAA Cc1c(NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cnn1C1CCCC1 193393380 XIBGENUWWWSHKO-LJQANCHMSA-N 384.480 4.508 0 50 GJAA Cc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3F)C4)n2)cc1C 263616575 JLWLFAFLHDKMNC-LJQANCHMSA-N 390.418 4.628 0 50 GJAA Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 263617261 MZACHYGDYILPLM-GOSISDBHSA-N 396.809 4.664 0 50 GJAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4ncon4)C3)c3ccccc3n2)cc1 426374134 GIEPVAZOIBOUBE-GOSISDBHSA-N 398.466 4.613 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCCC[C@H]4CC)csc3C2)nc1 426563482 WUPLVBXPZORAIC-LJQANCHMSA-N 397.588 4.669 0 50 GJAA COc1cc(N[C@@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)cc(OC)c1 1459694750 NPEFEFDIIZMUFA-DYESRHJHSA-N 380.532 4.830 0 50 GJAA CCC(CC)CC(=O)N1CCC[C@H](N(C)C(=O)c2nccc3ccccc23)CC1 1775996694 DXYZEWMTAVKGJE-FQEVSTJZSA-N 395.547 4.514 0 50 GJAA O=C(NCc1ccc2c(c1)CCCO2)Nc1ccccc1COc1ccccc1 1875333966 RQGPCNNKIVDDCJ-UHFFFAOYSA-N 388.467 4.912 0 50 GJAA CC(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 2325840324 XRFHRUHZSJFXLK-ZENYQMPMSA-N 386.927 4.572 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(C)ccc12 637492 STLUHXLWVJUKME-UHFFFAOYSA-N 375.399 4.948 0 50 GJAA CCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 1142515 KCWDWARIROUCFW-UHFFFAOYSA-N 390.439 4.599 0 50 GJAA O=C(NC1CCCCC1)c1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 1149215 SKLYBDDEEVEFIQ-UHFFFAOYSA-N 398.462 4.703 0 50 GJAA Cc1ccc2c(Cl)c(C(=O)Nc3sc(C)c(C)c3C(N)=O)sc2c1 2734065 KODIQUPNXAEIIH-UHFFFAOYSA-N 378.906 4.893 0 50 GJAA O=C(Cc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 2844562 FOELEGGFSJXWDO-UHFFFAOYSA-N 375.906 4.665 0 50 GJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 4039591 SNFZHSXLZLFLAU-UHFFFAOYSA-N 382.243 4.562 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1Cc1cccc(F)c1 12305846 RBVPZCJLGCAUOG-NRFANRHFSA-N 391.446 4.616 0 50 GJAA Cc1nc([C@H](C)NC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1 14980333 NLVVVXVYCWPNLW-NSHDSACASA-N 381.432 4.890 0 50 GJAA CCc1ccc2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 63857790 ZDJPSRAFYDJFDH-UHFFFAOYSA-N 378.520 4.896 0 50 GJAA O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC(c2cccc(Cl)c2)CC1 281236839 DDPRZHHKJRFGIL-UHFFFAOYSA-N 386.805 4.510 0 50 GJAA Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 408528844 XAJMTGMNRIGMBM-UHFFFAOYSA-N 393.299 4.818 0 50 GJAA C[C@](CO)(NC(=O)c1cccc(Cl)c1Cl)c1cc(Cl)cc(Cl)c1 857528592 UNVBUIUFGPHKMU-MRXNPFEDSA-N 393.097 4.938 0 50 GJAA N[C@H](CCNC(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)Cc1ccccc1 2325866709 WZWAIUFKDGTMPV-NNWRFLSQSA-N 399.966 4.626 0 50 GJAA O=C(O)C[C@@H](NC(=O)CC1(c2ccc(C(F)(F)F)cc2)CC1)c1cccs1 2325876912 DZLMLORJGBEYIX-CQSZACIVSA-N 397.418 4.521 0 50 GJAA CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)c(Cl)cc12 1118114 BBZYASIUBQDZLQ-UHFFFAOYSA-N 385.847 4.725 0 50 GJAA Clc1ccccc1[C@@H]1C[C@@H](c2cccc(Br)c2)n2ncnc2N1 1129356 OFJYLVQCNQKRJP-HOTGVXAUSA-N 389.684 4.840 0 50 GJAA CCOc1ccc(Br)cc1/C=C1/N=C(c2ccc(C)cc2)OC1=O 1143515 WRQXPCXSHZQVPO-LFIBNONCSA-N 386.245 4.501 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccccc2C)cc1 1175104 FOHHBPIWUUOHIQ-UHFFFAOYSA-N 375.428 4.900 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 1225927 ZRKUNPONQAFOKU-QQNJPBSNSA-N 379.459 4.566 0 50 GJAA biogenic Cc1ccc(SCCNC(=O)CSCc2c(F)cccc2Cl)cc1 2886272 ALUJRHGNYBJIQE-UHFFFAOYSA-N 383.941 4.929 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccc2)cc1 4709667 MVSDNLADWNMCMJ-CQSZACIVSA-N 389.282 4.868 0 50 GJAA Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)oc2cc1C 5090832 AWWJVUXCESXGDY-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA CCc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 12596212 BDKITYXDJOREAH-UHFFFAOYSA-N 392.543 4.528 0 50 GJAA CCCn1cc(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(C)n1 15074047 PAYLPTMHEDGZMV-NRFANRHFSA-N 377.536 4.571 0 50 GJAA c1ccc(N2CCN([C@H]3CCCN(Cc4cc5ccccc5s4)C3)CC2)cc1 23374891 XSERZDCOXUIGCZ-QFIPXVFZSA-N 391.584 4.688 0 50 GJAA COC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65387182 MGCOFVHHKBYESZ-HXUWFJFHSA-N 398.466 4.933 0 50 GJAA Cc1csc([C@@H]2COCCN2c2nc3cc(C(F)(F)F)ccc3s2)n1 189134306 NVZVOMBVYDORPC-LBPRGKRZSA-N 385.436 4.658 0 50 GJAA CC1=CC(C)(C)N(C)c2ccc(C(=S)N3CCN(c4ccccc4)CC3)cc21 226854914 HSCHMSDMUDQGJD-UHFFFAOYSA-N 391.584 4.816 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 257357872 QNCHNEOJTWMTPT-PUEVIBJHSA-N 383.576 4.715 0 50 GJAA CCS(=O)(=O)c1cccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c1 334161555 CDIDHENIYLKEAR-UHFFFAOYSA-N 391.876 4.749 0 50 GJAA CCN1CCN(Cc2cc(C)cc(CN(C)[C@@H](C)c3cccs3)c2C)CC1 952864689 LCARMMZZIWXNOT-FQEVSTJZSA-N 385.621 4.695 0 50 GJAA O=C(NC[C@@H]1C(F)(F)C12CCOCC2)c1cc(-c2ccccc2)ccc1Cl 1875297243 IFDJAJHZFNNZKP-SFHVURJKSA-N 391.845 4.799 0 50 GJAA C[C@@H](NC(=O)c1cnc2onc(C3CC3)c2c1)c1cccc(C(F)(F)F)c1 2325710376 APDHSZZJSJEZDZ-SNVBAGLBSA-N 375.350 4.610 0 50 GJAA O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)o1 672615 HIBBKHDMOFHZTI-UHFFFAOYSA-N 385.217 4.547 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 757942 VICXDBVPZWFADX-INIZCTEOSA-N 385.291 4.601 0 50 GJAA CC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 832893 CYBRGJFVJCGFIN-UHFFFAOYSA-N 399.406 4.581 0 50 GJAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1196201 OMTAIDSPRWKETF-UHFFFAOYSA-N 398.304 4.784 0 50 GJAA CN(C(=O)Oc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 1231757 ALRFGYZEJKUBCP-UHFFFAOYSA-N 393.283 4.634 0 50 GJAA COc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 1235176 SGEZBEHPGYWTDX-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](C)C2 2779977 ZBJWODRKZZGOBU-ZDUSSCGKSA-N 387.501 4.701 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccc(C)cc1C)O2 12126633 VFUAYYGZWCTXPE-NRFANRHFSA-N 399.490 4.907 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3nccn3C)c(-c3cccc(C)c3)n2)cc1 12302715 VIFYHPTYIUPYQF-UHFFFAOYSA-N 385.515 4.522 0 50 GJAA C[C@@H](CNC(=O)c1cccc(F)c1)Oc1ccc(CN(C)C2CCCCC2)cc1 14991191 BKZNVURKHQPFPD-SFHVURJKSA-N 398.522 4.788 0 50 GJAA COc1ccccc1-c1cc(C(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1 20603949 LVHTVAGYXBMJQM-UHFFFAOYSA-N 377.416 4.648 0 50 GJAA COc1cc2c(cc1Cn1cnc(-c3ccccc3)c1-c1cncnc1)CCC2 65459509 YINHFBZFJKNNHB-UHFFFAOYSA-N 382.467 4.553 0 50 GJAA Cc1c(-c2c(-c3ccccc3)ncn2CCC(N)=O)[nH]c2ccc(Cl)cc12 67973760 SELQHGMXEOSTPZ-UHFFFAOYSA-N 378.863 4.536 0 50 GJAA CN(CCCc1nccn1C)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 95511626 KQLDCDAENOGHPW-NRFANRHFSA-N 395.934 4.687 0 50 GJAA Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(N4CCOC4=O)c3C)o2)cc1C 123575516 ZHORUSMIAIDMNW-MRXNPFEDSA-N 392.459 4.792 0 50 GJAA CC(C)(C)OC(=O)N1[C@H](c2nc3ccc(Br)cc3[nH]2)[C@H]2CC[C@@H]1C2 141081066 IODPTNKFQCJTSI-NVBFEUDRSA-N 392.297 4.786 0 50 GJAA in-vitro Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4cccc(Cl)c4n3C)s2)o1 170596834 BFAZSVHTHJZGFZ-UHFFFAOYSA-N 386.864 4.812 0 50 GJAA CC1(C)[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 230274708 LNXHTOWHCPROHB-YNEHKIRRSA-N 396.331 4.659 0 50 GJAA CCN(CC)CCn1c(=N)n(Cc2ccc(-c3ccccc3)cc2)c2ccccc21 253470516 AOUVXJBXWMVSGD-UHFFFAOYSA-N 398.554 4.979 0 50 GJAA CCN(Cc1cnn(CC)c1)C(=O)Nc1ccc(OCc2cccs2)cc1 299776085 NITIABIWODASKO-UHFFFAOYSA-N 384.505 4.598 0 50 GJAA CC(C)(C)Cn1c(O)nc2c(C(=O)N3CCC[C@@H](C4CCCC4)C3)cccc21 1875343877 XLMPTOLZJRKTIF-QGZVFWFLSA-N 383.536 4.830 0 50 GJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1nnc(-c2cccs2)o1 2325743467 UCYSKHGCTAKDBZ-UHFFFAOYSA-N 390.420 4.983 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(F)cc1 681040 BVBUMNGLZLPDOS-UHFFFAOYSA-N 391.427 4.761 0 50 GJAA FC(F)Oc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 1051505 QNJUYGJRLUZRPY-HZPDHXFCSA-N 376.794 4.679 0 50 GJAA CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1Cl 2860450 XZANKAKNQJOCGB-UHFFFAOYSA-N 387.892 4.602 0 50 GJAA COc1cccc(OC)c1OCCCOc1ccc(C)cc1Br 2984809 CSQXNWARKHYSBO-UHFFFAOYSA-N 381.266 4.623 0 50 GJAA COc1cc(C=O)ccc1OCCCOc1cc(C)c(C)cc1Br 2984926 HNIJIUWPFITAGL-UHFFFAOYSA-N 393.277 4.735 0 50 GJAA COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 4795832 YJEMSHUDCXABGH-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA Cc1nn2c(NCCCn3ccnc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5203455 JLFUEXWZFNTZQF-UHFFFAOYSA-N 388.519 4.701 0 50 GJAA COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc(C)c1-c1ccccc1 6824922 RKEPLJBLYORBIT-CYBMUJFWSA-N 388.558 4.939 0 50 GJAA CCCCc1nc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c[nH]1 11935469 QZXKREOFUVEDJU-LJQANCHMSA-N 383.536 4.634 0 50 GJAA Cc1ccoc1C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 12026761 RIFPZZBAGDWSRI-UHFFFAOYSA-N 392.858 4.652 0 50 GJAA CCc1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)on1 67894285 VXQCRXOAJOGRPX-UHFFFAOYSA-N 384.863 4.658 0 50 GJAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 187515006 JQELHKZKFHUXBB-GFCCVEGCSA-N 394.302 4.832 0 50 GJAA Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 263615189 BBLDIMJXNFQMED-IBGZPJMESA-N 392.846 4.833 0 50 GJAA Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1NC(=O)OC(C)(C)C 263639821 KKOUGNWUAQUTFK-UHFFFAOYSA-N 388.777 4.866 0 50 GJAA O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@H](c2ccccc2)c2ccccc21 436272369 SFZFPSHYQXUYHX-HXUWFJFHSA-N 397.478 4.770 0 50 GJAA Cc1ccc(C(=O)N2CCC(n3ccnc3-c3ccc4ncccc4c3)CC2)cc1 1857692915 ZVNVZXKTBWRKDE-UHFFFAOYSA-N 396.494 4.884 0 50 GJAA O=C([C@@H]1CCCCc2ccccc21)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1875265976 VBXMSVRQNCPKTR-PKTZIBPZSA-N 375.512 4.877 0 50 GJAA O=C(Cn1ncc(Cl)c1C1CC1)N(CCc1ccccc1)Cc1ccccc1 1875337944 JZZRPZPIIVEJMK-UHFFFAOYSA-N 393.918 4.685 0 50 GJAA COc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2Cl)sn1 1875355013 XFNAYAWODBDIMJ-QGZVFWFLSA-N 393.295 4.978 0 50 GJAA COc1cc2ccccc2cc1-c1nnc(CNc2cccc(CO)c2Cl)o1 1875361953 JHPATHDTJMDLKN-UHFFFAOYSA-N 395.846 4.656 0 50 GJAA CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)c1 1165162 ZSDOPGCQKBEQLO-QHCPKHFHSA-N 387.435 4.734 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1 1184262 AVKXBYZPILPITE-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 1184308 XTCCGDRMTZENGT-UHFFFAOYSA-N 399.541 4.856 0 50 GJAA Cc1ccc2nsnc2c1NC(=O)c1ccc(OCc2ccccc2)cc1 1220605 SBWQDRHUMQXPFA-UHFFFAOYSA-N 375.453 4.831 0 50 GJAA COc1cc(C=O)ccc1OCCCOc1ccc(Cl)cc1Br 2985651 NHDFWWKXJBFGIK-UHFFFAOYSA-N 399.668 4.772 0 50 GJAA Cc1cc(Cl)c2oc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(C)c2c1 12759737 HREGLFJZSDUUIG-UHFFFAOYSA-N 385.895 4.858 0 50 GJAA Cc1nc(-c2ccc(CN3CC=C(c4ccccc4)CC3)cc2)nc(O)c1F 23540878 PSXDVINHEGEBMS-UHFFFAOYSA-N 375.447 4.586 0 50 GJAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(NCc2cccs2)nc1 67587921 PPTOHFXHVYEFLR-UHFFFAOYSA-N 388.496 4.576 0 50 GJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC)C1 95511019 GFQTZVXPHAOYBW-QGZVFWFLSA-N 378.520 4.747 0 50 GJAA COc1ccc2nc(C3CC3)cc(C(=O)N(CCC(F)(F)F)CC3CC3)c2c1 120118050 QEMHVWWVTTVBBE-UHFFFAOYSA-N 392.421 4.925 0 50 GJAA CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 169682690 IKWWYWAQMYAQTI-MBOZVWFJSA-N 377.532 4.995 0 50 GJAA COc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 239275130 BFNRBQXBRYDVKQ-IRLDBZIGSA-N 391.858 4.986 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@@H](O)C(=O)[C@]12C 257356333 HMBVCMJDBNVJOK-SHBMVDDMSA-N 390.564 4.686 0 50 GJAA Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cn2c(C)cccc2n1 1317955281 VAAFOHIJDCSDEV-CQSZACIVSA-N 376.485 4.566 0 50 GJAA CC(C)[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@@H](c2ccccc2)O1 1529172414 GZXSFUJKKSSATK-YADHBBJMSA-N 376.456 4.580 0 50 GJAA CC(C)c1ccccc1Oc1ccccc1C(=O)N[C@H](C)CO[C@@H]1CCOC1 1875259034 PWYBOQCUBLKUAH-QZTJIDSGSA-N 383.488 4.526 0 50 GJAA Cc1ccc(-c2cccnc2)cc1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 2325741447 LQFDXSKWMBOQPB-YRNVUSSQSA-N 380.451 4.895 0 50 GJAA CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C 663223 ZNWXEQCDVLHDPN-UHFFFAOYSA-N 395.406 4.900 0 50 GJAA Cc1nc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1Br 679567 AYMBPQPGFCUBFR-UHFFFAOYSA-N 397.272 4.984 0 50 GJAA O=C(NC1CCCCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 865983 NPYPPDWCUIABSE-IAGOWNOFSA-N 392.425 4.606 0 50 GJAA COc1ccccc1NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 1168842 FAILDBPTBXNWCI-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Br)cc3)sc2n1 1212906 JPHYEJQBBJSULK-UHFFFAOYSA-N 376.279 4.510 0 50 GJAA CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(N)cc1 2825783 JINSIYRAASFCPD-UHFFFAOYSA-N 388.496 4.675 0 50 GJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1 4754917 OKEJQPNTQDFEEN-UHFFFAOYSA-N 397.887 4.993 0 50 GJAA COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 13320455 JKTQWXNNJIXAAA-UHFFFAOYSA-N 388.773 4.698 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 14344119 RKINYGBPXGYIKQ-UHFFFAOYSA-N 389.411 4.893 0 50 GJAA COc1cc(OC)c(OC)cc1CN[C@@H](Cc1ccccc1)c1ccccc1 19720387 HZXKYGUBHYKRLX-NRFANRHFSA-N 377.484 4.786 0 50 GJAA CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](c2ccncc2)c2ccccc2C)c1 55359349 XGYUGWZCVKRJOZ-OAQYLSRUSA-N 393.874 4.521 0 50 GJAA C[C@H](c1ccc(-c2c(-c3ccccc3)ncn2CCCN(C)C)cc1)N(C)C 65405069 OKFDFZFTRYMFMZ-LJQANCHMSA-N 376.548 4.791 0 50 GJAA O=C(O)CC[C@@H]1CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 199240914 WBEPFERYCYWNOI-AOMKIAJQSA-N 393.483 4.949 0 50 GJAA O=C(NCc1cc2cc(F)ccc2[nH]1)N(Cc1ccccn1)C1CCCCC1 426498778 VYEPFGCTJTVLEG-UHFFFAOYSA-N 380.467 4.747 0 50 GJAA CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704351539 OVMGKSLMYGZMDR-LVYXFOGZSA-N 387.564 4.609 0 50 GJAA Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cccc1-c1nnco1 2325819364 CHEBVBYKAIGJRJ-JKSUJKDBSA-N 398.260 4.550 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccc(Br)cc1C 2325842059 NFFWRSPUFHSQGK-DLBZAZTESA-N 376.338 4.568 0 50 GJAA COc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1 658371 VMFFYIMXYWAJRV-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA COc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC 1088485 YFJXCVIHRUEJMI-UHFFFAOYSA-N 375.424 4.536 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 2891223 CNQWQVVAYOEEPJ-PKTZIBPZSA-N 375.468 4.758 0 50 GJAA c1ccc(Cc2nc(CNc3nncc(-c4cc5ccccc5o4)n3)cs2)cc1 11933904 YUOMTUSLTNOOHQ-UHFFFAOYSA-N 399.479 4.944 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@H]1CCn1ccnc1 20993065 UOXVWZASDOIPRU-KRWDZBQOSA-N 384.911 4.945 0 50 GJAA O=C1c2cc3ccccc3cc2S(=O)(=O)[C@H]1c1cccc(C(F)(F)F)c1 44122670 DWGGWHYDZDEEJP-SFHVURJKSA-N 376.355 4.570 0 50 GJAA O=C(N1CCCCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67714310 YYJVMJLVBHEHMD-UHFFFAOYSA-N 386.879 4.513 0 50 GJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 67955546 HURURMHYXOTDCR-SFHVURJKSA-N 394.475 4.820 0 50 GJAA CN1c2ccccc2N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O 71770239 BZAZKYXSNCDOIC-UHFFFAOYSA-N 382.872 4.648 0 50 GJAA Cc1ccc(-n2cc(CN(C)C[C@@H]3CCCO3)c(-c3ccc(F)cc3)n2)cc1 72438202 YNLARSOBLPOWMV-QFIPXVFZSA-N 379.479 4.598 0 50 GJAA Cc1ccc(C)c(-n2cc(CN3CCC(CCO)CC3)c(-c3ccccc3)n2)c1 72468751 JHVVTUHXPAOAER-UHFFFAOYSA-N 389.543 4.751 0 50 GJAA O=C(CCn1ccc2ccccc21)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334160834 NFLOOEZCGAFMFT-XMMPIXPASA-N 394.478 4.814 0 50 GJAA CC[C@H](C)N(Cc1ccccc1C)C(=O)c1ccc(-c2cncc(O)n2)cc1 534653893 WHQJJKKXBJQZMR-KRWDZBQOSA-N 375.472 4.599 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccccc3OCc3ccccc3)C1)CC2 1704314255 XHGXUWRCDYNDPC-AREMUKBSSA-N 399.538 4.844 0 50 GJAA COc1ccc(-c2nsc(NC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)n2)cc1 1775974989 AMVHZZCJMOXLJM-DGCLKSJQSA-N 398.315 4.743 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1C[C@H]1Cc1ccccc1 1875260409 XOEPOWWKUAOOSU-TYBFALNQSA-N 388.442 4.774 0 50 GJAA CCC[C@@H](N=c1ccc2nnc(-c3ccsc3)n2[nH]1)c1cc(F)ccc1F 2325839913 JJLKMFFAJLFDJF-MRXNPFEDSA-N 385.443 4.506 0 50 GJAA CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 608220 OJGDCBLYJGHCIH-UHFFFAOYSA-N 376.136 4.558 0 50 GJAA biogenic,world COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1F 703766 CLBQWKRNDWCAEB-UHFFFAOYSA-N 388.236 4.931 0 50 GJAA COc1ccc(C(=O)N[C@@H](Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 787678 QMHLSTUDRCXMAA-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4cccs4)c3n2)cc1 815350 CMMIQCJLWPGRAG-UHFFFAOYSA-N 398.438 4.634 0 50 GJAA O=C(N1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1)c1ccccc1 938397 MOBWGJKNPFCVAD-UHFFFAOYSA-N 375.447 4.906 0 50 GJAA Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1 1080743 ADKNRDUGVFOVHV-UHFFFAOYSA-N 375.453 4.811 0 50 GJAA CCc1cc(=O)oc2cc(OCC(=O)Nc3c(C)cccc3C)c(Cl)cc12 1122293 NZXCLDMMQNYSSR-UHFFFAOYSA-N 385.847 4.643 0 50 GJAA COc1ccc(CCNc2nc(-c3sc(C)nc3C)cs2)cc1OC 1123801 VQYVCSPBERHZRU-UHFFFAOYSA-N 375.519 4.555 0 50 GJAA CCOc1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1 1194652 PANUIDPZSLCELI-UHFFFAOYSA-N 398.528 4.733 0 50 GJAA CCOc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 1794461 MSMMAARNQMHPPI-UHFFFAOYSA-N 398.267 4.708 0 50 GJAA O=C1C[C@@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 2884787 GWLSBHNHUADHEB-HXUWFJFHSA-N 392.842 4.876 0 50 GJAA CCCOc1cccc(C(=O)Nc2ccc(I)cc2C)c1 2971172 TVWQEQHEHPGMQZ-UHFFFAOYSA-N 395.240 4.641 0 50 GJAA O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccccc1Br 3069904 ARLGWSBOWGUQGF-UHFFFAOYSA-N 395.467 4.561 0 50 GJAA C[C@H](C[S@](=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072767 NBLZNHXBNSAFNA-NFQMXDRXSA-N 377.553 4.995 0 50 GJAA Cc1cnccc1CNC(=O)C[C@@H](c1cccc(Cl)c1)c1ccccc1O 11665259 HHLUTTLVVWQYGV-FQEVSTJZSA-N 380.875 4.587 0 50 GJAA CC(=O)c1cccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1 11816156 FTEKFGOHBNZYDG-KRWDZBQOSA-N 384.863 4.669 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)no1 11817934 SZXUNNIJAAYTEE-GOSISDBHSA-N 392.430 4.524 0 50 GJAA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1ccco1)CC2 11964946 MCMKLRCJOHUXJT-JOCHJYFZSA-N 392.543 4.510 0 50 GJAA CCc1ncc(CNCc2cccnc2Oc2cccc(C(F)(F)F)c2)cn1 15078355 ZJJDITXPIPZWFK-UHFFFAOYSA-N 388.393 4.535 0 50 GJAA FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3c3nccs3)n2)cc1 20294225 YWXBJDIGYOFJFT-AWEZNQCLSA-N 394.422 4.939 0 50 GJAA O=C([C@H]1CC=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67541708 CNJFYFXLJUNGDQ-HNNXBMFYSA-N 383.875 4.790 0 50 GJAA Cc1cccnc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 71315608 RAONZKKBBTYLPS-UHFFFAOYSA-N 380.875 4.811 0 50 GJAA Clc1ccc(N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)nc1 113734235 RQFADMMQUBUTBU-UHFFFAOYSA-N 375.259 4.822 0 50 GJAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCCC[C@H]1c1ccco1 170633540 NQFSQCIALQDVQX-SFHVURJKSA-N 379.460 4.622 0 50 GJAA CN1CC[C@@H](CNC(=O)Nc2ccccc2CC(F)(F)F)c2ccccc21 173994468 KXKCSANOXVFLOS-HNNXBMFYSA-N 377.410 4.537 0 50 GJAA O=C(c1ccccc1NCc1ncc(-c2ccc(F)cc2)o1)N1CCCCC1 183500619 IXILIERUCILSRV-UHFFFAOYSA-N 379.435 4.719 0 50 GJAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 222096147 GNVAQYUASJTLFG-AYPBNUJASA-N 383.511 4.502 0 50 GJAA COc1ccc([C@H](NC(=O)N(C)Cc2cc3ccccc3o2)C(F)F)cc1F 252489791 KALCSFPYXDGGMW-SFHVURJKSA-N 392.377 4.728 0 50 GJAA O=C1C[C@H](c2nc(-c3cccc(C(F)F)c3)no2)CN1c1ccc2c(c1)CCC2 771513002 FENXHVLTHYMLGP-KRWDZBQOSA-N 395.409 4.683 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)Cc2cnc3c(C)cccn23)cc1 952978211 KWOGBHDRYUUSRD-UHFFFAOYSA-N 387.439 4.625 0 50 GJAA N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1 1083264528 PDJIIJBGARYQLY-DEOSSOPVSA-N 394.474 4.579 0 50 GJAA CNC(=O)[C@@H]1Cc2ccccc2N1Cc1cccc(-c2ccc(Cl)cc2)c1 1875354604 KKZLHXYMUKOIPQ-QFIPXVFZSA-N 376.887 4.684 0 50 GJAA COc1cc(-c2nc3scc(-c4ccccc4)c3c(=O)o2)cc(OC)c1OC 709054 WQCLZEKRHLJMFQ-UHFFFAOYSA-N 395.436 4.609 0 50 GJAA CCOc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 1003670 LJZWKGZWWBAURP-UHFFFAOYSA-N 390.508 4.730 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1I 2881790 SXGGDGYEVUKCHS-UHFFFAOYSA-N 389.595 4.644 0 50 GJAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)cc1 4424433 KMSWJWMJGPNOEF-FQEVSTJZSA-N 381.907 4.614 0 50 GJAA Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2C(F)(F)F)n1 4869890 OCPMBBLKZWZZGQ-UHFFFAOYSA-N 375.350 4.635 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=O)CSc4nccn4C)cc3)sc2c1 6370170 FKAHKTQXJLXFTG-UHFFFAOYSA-N 394.525 4.736 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H](C)c1ccccc1)O2 11782386 GGDFNPFSHAOVCZ-HTAPYJJXSA-N 399.490 4.780 0 50 GJAA C[C@H](C(=O)N(C)CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccccc1 15064539 BJCDKSKMHMOXJO-IBGZPJMESA-N 398.978 4.857 0 50 GJAA CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1C 20604248 BKJDFFJMDLRMAE-UHFFFAOYSA-N 385.393 4.997 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cn1 55253225 SQHQGXUBNHZFHN-IBGZPJMESA-N 391.540 4.917 0 50 GJAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)NC1(c2ccccc2Cl)CC1 96136149 RXWMJKMXFGJVAC-QGZVFWFLSA-N 386.879 4.709 0 50 GJAA O=C1C[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 100936605 GWLSBHNHUADHEB-FQEVSTJZSA-N 392.842 4.876 0 50 GJAA Cc1ccc(-n2c(S[C@@H](C)c3nnc(C)s3)nnc2-c2ccncc2)cc1 170594244 CNHFUVBEAYOLKI-ZDUSSCGKSA-N 394.529 4.651 0 50 GJAA COc1ccccc1[C@@H](NC(=O)c1noc2c1CCCC2)c1ccccc1Cl 170638659 AGZQPHKEFMKOBJ-FQEVSTJZSA-N 396.874 4.735 0 50 GJAA c1ccc2sc([C@@H]3CCCN(Cc4cc(-c5ccncc5)no4)C3)nc2c1 252479782 BMVAVMFIFSILOH-MRXNPFEDSA-N 376.485 4.726 0 50 GJAA O=C(N[C@@H]1CCCc2nc(O)ccc21)c1cc(C2CC2)nc2ccc(Cl)cc12 333026782 KZXJVXJFJMPWLJ-GOSISDBHSA-N 393.874 4.674 0 50 GJAA CC(C)COc1cccc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 1459485911 QOHWRJQVUBJTBG-OAQYLSRUSA-N 386.923 4.612 0 50 GJAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N(C)Cc1ccc(F)cc1Cl 1857530466 IRXAQUYRSQQDOQ-UQIDSAAFSA-N 389.902 4.583 0 50 GJAA Cc1cc(OS(=O)(=O)c2cc(Br)c(C)cc2C)ccc1Cl 1875302771 GTUYFCHWOGEBGL-UHFFFAOYSA-N 389.698 4.795 0 50 GJAA Cc1ccc(Cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3F)no2)cc1 1875313172 ITQMHBYUIVUVTN-UHFFFAOYSA-N 397.450 4.800 0 50 GJAA O=C(CC/C(=C/c1ccco1)c1nc2ccccc2s1)N[C@H]1CCC[C@H](O)C1 2325722193 OUVODXQYRZWLRI-CUMWXBBOSA-N 396.512 4.630 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@H](c1ccccc1Br)C(C)C 2325841755 FNWDLJFAMDDVAY-UTKZUKDTSA-N 390.365 4.895 0 50 GJAA Cc1csc2cc(C(=O)NCC[C@H](O)c3ccc(Cl)c(Cl)c3)[nH]c12 2325852761 RRTCJTFEGQAUHD-AWEZNQCLSA-N 383.300 4.698 0 50 GJAA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 853823 TVYZIKGAJRDPJC-HNNXBMFYSA-N 390.266 4.614 0 50 GJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1Br 1170105 MEFDKGLOZUZEKI-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 1242862 WQPLYXSPRRDFNS-UHFFFAOYSA-N 382.489 4.995 0 50 GJAA Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3Br)s2)cc1 1294018 DVHMRMYYMBTMEN-UHFFFAOYSA-N 389.278 4.920 0 50 GJAA CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC 2572485 YXOXHAUUTIOBDA-UHFFFAOYSA-N 388.265 4.933 0 50 GJAA in-vitro CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2Br)cc1 2858167 WSCVDVXVYYVDHP-UHFFFAOYSA-N 391.334 4.873 0 50 GJAA FC(F)Oc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 2919727 SMJNKOAUOJTHOP-LSDHHAIUSA-N 376.794 4.679 0 50 GJAA CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c2ccccc12 4667177 OUUYOAJSUQNJQT-INIZCTEOSA-N 381.497 4.769 0 50 GJAA Cc1ccccc1-n1c(S)nnc1-c1cccc(OC(F)(F)C(F)F)c1 6896060 IGBQRMKTTHWBIQ-UHFFFAOYSA-N 383.370 4.768 0 50 GJAA COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1OC 13427581 MUJFEBDHDMUXDH-VGOFRKELSA-N 376.412 4.539 0 50 GJAA COc1cccc(-c2cc(CC3(O)CCN(CCCC4CCCC4)CC3)on2)c1 14981272 ISZJATCSGMXTQP-UHFFFAOYSA-N 398.547 4.690 0 50 GJAA CC[C@@H](C)Sc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 15723213 FUYGNNMZBFXUJL-MRXNPFEDSA-N 380.513 4.728 0 50 GJAA CNc1nc(C)c(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)s1 92046856 LPUCVRBWVPERBE-UHFFFAOYSA-N 391.540 4.716 0 50 GJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H](c4nccn4C(C)C)C3)[nH]c12 95356261 ZLMDCHMBIHFPGB-GOSISDBHSA-N 378.520 4.890 0 50 GJAA O=C(Nc1cccc(N2CCCCCC2)c1)N(CCO)[C@H]1CCc2ccccc21 126849134 VXHQGSSPKZNGOK-QHCPKHFHSA-N 393.531 4.581 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 194342104 BXRHOQQNRGIOHN-SFHVURJKSA-N 389.377 4.792 0 50 GJAA CC(C)C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)n1cccc1 253414422 XLMAIINVJAWPFD-MRXNPFEDSA-N 383.473 4.566 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 253499260 DPBGWNOQXKBDCB-NWDASVTGSA-N 376.537 4.704 0 50 GJAA biogenic CC(C)(C)c1ccc(OCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 2325705108 JLQFIHVFGMNLQO-UHFFFAOYSA-N 390.483 4.976 0 50 GJAA O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Br 991665 IMZGCDAIALAIRY-UHFFFAOYSA-N 396.240 4.921 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(C)c1 1108903 POWNXYFJMWNUBR-CQSZACIVSA-N 384.545 4.867 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C(Cl)(Cl)Cl 1110338 XCEHZDRPGZWQQY-UHFFFAOYSA-N 375.605 4.614 0 50 GJAA COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1 1113764 CSWUDDOSBDPWRV-UHFFFAOYSA-N 377.425 4.726 0 50 GJAA O[C@@]1(c2ccc(Cl)cc2)CN2CCCCCC2=[N+]1c1ccc(Cl)cc1 2569235 WKZXPUDIOVGIDT-HXUWFJFHSA-N 376.307 4.771 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1 2850624 KNISHHWUCHHNLG-ZDUSSCGKSA-N 379.287 5.000 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n(-c2ccccc2)n1 4881042 DLAGCJXISHXCMG-UHFFFAOYSA-N 378.819 4.741 0 50 GJAA CN(Cc1ccc(O)c(Cl)c1)CC1CCN(CCc2cccc(F)c2)CC1 12204019 YICJAVXJQDPFDW-UHFFFAOYSA-N 390.930 4.571 0 50 GJAA CC(c1ccccc1)(c1ccccc1)c1nn2c(-c3cccnc3)nnc2s1 12383788 VQKQRUIUGWZJKZ-UHFFFAOYSA-N 383.480 4.602 0 50 GJAA Cc1nc([C@H](C)Nc2nncc(-c3cccc(C(F)(F)F)c3)n2)c(C)s1 67967089 GQXSOJXXYHYLAH-VIFPVBQESA-N 379.411 4.804 0 50 GJAA COc1cccc(OC)c1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71745471 XOZOJIIQCDWQRD-IBGZPJMESA-N 382.287 4.584 0 50 GJAA COc1ccc2cc(CN3CCC[C@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 72480910 RFBWQOJUDIAMME-IBGZPJMESA-N 382.891 4.521 0 50 GJAA CC[C@H](CN(CC)C(=O)c1sc(-c2ncccn2)nc1C)c1ccccc1 185146005 DYTBCYXQHMWTCZ-MRXNPFEDSA-N 380.517 4.564 0 50 GJAA C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cn1 189669861 ZIIIOYDXIDTVGP-CQSZACIVSA-N 395.438 4.502 0 50 GJAA COc1ccc([C@H](NC(=O)N(C)Cc2ccccc2Cl)C(F)F)cc1F 252507452 WMDSYXWWUKKSTA-INIZCTEOSA-N 386.801 4.636 0 50 GJAA Fc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 263615228 BGORNZCVLLWAOB-SFHVURJKSA-N 396.809 4.664 0 50 GJAA Cc1c(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)[nH]c2c1C(=O)CCC2 329412522 YIYIULLXAWEOPW-LJQANCHMSA-N 375.472 4.691 0 50 GJAA CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)CCO1 1875258653 NWDLCGOFEMASRS-LZLYRXPVSA-N 386.467 4.786 0 50 GJAA Cc1sc2nc([C@@H](C)OC(=O)[C@H]3CC[C@@H](c4ccccc4)O3)nc(O)c2c1C 2325732514 ZVGLZWYMTRKPKF-UHOFOFEASA-N 398.484 4.538 0 50 GJAA C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4F)c23)C1 955532 PYHJHXGKYLFCHT-NSHDSACASA-N 387.505 4.686 0 50 GJAA COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3C)no2)cc1 1060509 UGCKNEFZOCAPHL-UHFFFAOYSA-N 385.423 4.973 0 50 GJAA Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 1114993 WMKHFSUZWHEKSL-HUUCEWRRSA-N 394.693 4.967 0 50 GJAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Br)o1 1138959 DVXXNAVZPFVCHP-UHFFFAOYSA-N 383.673 4.938 0 50 GJAA O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 1176194 AUKRLKDXMLZXRY-UHFFFAOYSA-N 387.151 4.508 0 50 GJAA CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2842990 AAUKGQWLCRGRAW-DLBZAZTESA-N 399.292 4.586 0 50 GJAA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc2c(c1)OCO2 4646413 XQMZAZDWRCUITK-UHFFFAOYSA-N 382.485 4.592 0 50 GJAA Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3)cc2)cc1C 6700887 WGROGJMEBWZMJE-UHFFFAOYSA-N 393.508 4.671 0 50 GJAA Cc1cccc(-n2cc(CN(C)C3CCOCC3)c(-c3cccc(F)c3)n2)c1 11661171 ISANHRCSORVIIW-UHFFFAOYSA-N 379.479 4.598 0 50 GJAA Fc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)c(F)c1 11878261 CZEAHMRCTYLJJX-JOCHJYFZSA-N 392.534 4.600 0 50 GJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 12054597 XGHFASYFJHPYNK-BETUJISGSA-N 382.382 4.676 0 50 GJAA CC[C@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 20119224 NBHULHBCONFEIP-RGEMTFFCSA-N 379.279 4.765 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20600031 WNXFDQOFFSCOFB-OAHLLOKOSA-N 387.405 4.677 0 50 GJAA c1cncc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c1 55228095 KPMYXFLCQWSMNI-QHCPKHFHSA-N 378.564 4.524 0 50 GJAA O=C(c1cncc(F)c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71748912 MOMPKACIFFCFMN-AWEZNQCLSA-N 380.385 4.725 0 50 GJAA Cc1oc(C(C)C)cc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 220235852 HKGGKTKMEXBMOM-QRFVXNFXSA-N 378.472 4.502 0 50 GJAA O=C(Nc1ncc(C2CCNCC2)s1)[C@@H]1C[C@@H]1c1cccc2ccccc12 262326290 RBMFSSDMNPSYIT-RTBURBONSA-N 377.513 4.506 0 50 GJAA Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)[C@H](C)c2nccs2)c1 299801382 XHFUZCRZEYYFQX-GFCCVEGCSA-N 376.432 4.543 0 50 GJAA COC[C@H](c1ccccn1)N(C)Cc1cc(CN2CCC(C)CC2)c(C)cc1C 952969058 PPSGXDAGMKARSS-RUZDIDTESA-N 395.591 4.750 0 50 GJAA Cc1nc2ccc(C(=O)N3CCCC[C@@H]3CCc3cccs3)cc2nc1C 952974959 KXFBOMPPVWNUGT-GOSISDBHSA-N 379.529 4.936 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cc(Cl)cc4c3OCC4(C)C)C1)CC2 1704307059 SHZDZOPULRTKNJ-QHCPKHFHSA-N 397.950 4.588 0 50 GJAA CN(C(=O)c1cc(-c2ccccc2OCc2ccccc2)ncn1)c1ccccc1 1857585697 DWJHTWTWARTKKX-UHFFFAOYSA-N 395.462 4.999 0 50 GJAA COC(=O)c1sc2ncc(/C=C3\C(=O)Nc4cc(C)cc(C)c43)cc2c1C 1875264927 OCLIZDNODJKTFZ-NVNXTCNLSA-N 378.453 4.501 0 50 GJAA C[C@H](C(=O)Nc1cccnc1Cl)n1cc(-c2cccc(Cl)c2Cl)nn1 2325776519 USVBGMLFMRJIGD-SECBINFHSA-N 396.665 4.500 0 50 GJAA COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1Cl 678740 IDMCDPNUMYPNBN-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc21 1027181 BNGXRVMPABQTHO-UHFFFAOYSA-N 377.750 4.698 0 50 GJAA Cc1ccc(SCCC(=O)Nc2ccc(I)cc2)cc1 1148030 DYEZYPATFFYORN-UHFFFAOYSA-N 397.281 4.721 0 50 GJAA O=C(COc1c(Cl)cccc1Cl)Nc1ccccc1Br 4542100 WUEBWRAZRFUOBT-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCc1sc(NS(=O)(=O)Cc2ccc(Cl)cc2)nc1-c1ccccc1 4756976 YVTULBNNMWWZDM-UHFFFAOYSA-N 392.933 4.968 0 50 GJAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)no1 12441912 XDTMMUUHRZICSA-LJQANCHMSA-N 376.456 4.686 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)c1cc2ccccc2[nH]1 12706174 APAXEUULDNLOHI-KRWDZBQOSA-N 387.483 4.556 0 50 GJAA CCc1ccc(CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)nc1 67740252 VIFLSVRVANWPQW-UHFFFAOYSA-N 380.513 4.781 0 50 GJAA CCC(=O)NCc1ccccc1-c1cccc(OC)c1C(=O)N(C(C)C)C(C)C 96136092 DNZYFYXWKKHMMA-UHFFFAOYSA-N 396.531 4.647 0 50 GJAA COC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 113569084 KNLBEIOOMMRGBU-AWEZNQCLSA-N 399.491 4.993 0 50 GJAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(-c2cccs2)nc2ccccc12 122744839 XANWFTBCKAQPLP-QRWLVFNGSA-N 378.497 4.651 0 50 GJAA CCOc1ccccc1C1=CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 125371187 JSUUBFCEVPWFRX-UHFFFAOYSA-N 393.512 4.775 0 50 GJAA O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 138959113 WHUDPPDRXAQMEK-IDPBPBMLSA-N 396.870 4.611 0 50 GJAA CC(C)c1ccc2nc(Cl)c(CCN3C(=O)c4ccccc4C3=O)cc2c1 245197905 HLQFDZDBZUWJLU-UHFFFAOYSA-N 378.859 4.850 0 50 GJAA COC(=O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(OC)cc2)c1 328579044 KXBSBAPVGJDAGN-UHFFFAOYSA-N 398.256 4.973 0 50 GJAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)cc1-n1cccc1 426407539 LVZDUDYHEKZMIR-SFHVURJKSA-N 380.448 4.541 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CC[C@@H]4CCC[C@@H]43)nn2-c2ccccc2)cc1 428526115 HBOZWQVCGPYUKV-JTSKRJEESA-N 387.483 4.563 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CC[C@H]4CCC[C@@H]43)nn2-c2ccccc2)cc1 428526117 HBOZWQVCGPYUKV-VGSWGCGISA-N 387.483 4.563 0 50 GJAA CC(C)C(=O)Nc1cccc(C(=O)N(Cc2ccncc2)C2CCCCC2)c1 827621884 VQOLYQOJNXBFQQ-UHFFFAOYSA-N 379.504 4.651 0 50 GJAA C[C@H](c1ccccc1Cl)[C@@H](C)C(=O)Nc1cc(Br)cnc1O 1875310069 BSHDOCHLSKCFCM-VHSXEESVSA-N 383.673 4.581 0 50 GJAA Cc1cc(S(=O)(=O)Nc2nn(CC(C)C)cc2Cl)c(Cl)cc1Cl 2325853880 FRRMYCZXKRHXKX-UHFFFAOYSA-N 396.727 4.609 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H]3CCCCC3=O)ccc12 1190754 ICEISICUERNBOJ-JOCHJYFZSA-N 376.452 4.891 0 50 GJAA biogenic Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cccs1 2971495 AWDDUIHEQVDBNF-UHFFFAOYSA-N 392.509 4.727 0 50 GJAA Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(C)(C)C)cc3)ccc12 4046067 IRPOXEWPNXKWBH-UHFFFAOYSA-N 394.467 4.913 0 50 GJAA biogenic CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1C 10680303 BSLIDEAZFRAGGS-UHFFFAOYSA-N 375.881 4.803 0 50 GJAA COc1cccc(-c2cccc(N3CCC(NCc4nccs4)CC3)c2)c1 23214423 PJPZXUZTLAGXAH-UHFFFAOYSA-N 379.529 4.577 0 50 GJAA CCOC(=O)CC1(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CCCCC1 36620487 RWXAJYXRPKZPJS-GOSISDBHSA-N 392.927 4.843 0 50 GJAA C[C@@H](CCN1CCOc2ccc([C@H](O)c3cccnc3)cc2C1)c1ccccc1 39413066 UOKLAXQCSHMGJM-DFBJGRDBSA-N 388.511 4.552 0 50 GJAA Cc1ccccc1-c1ncc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cn1 55370905 QHRQZABVFBBKOP-SFHVURJKSA-N 383.499 4.797 0 50 GJAA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H](C)C3)c2C)cn1 63884282 OFSPDXYADGEODR-INIZCTEOSA-N 376.504 4.607 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)c2ccc(F)cc2n1 82108270 YUKQLFLDCOPTNQ-HXUWFJFHSA-N 388.446 4.844 0 50 GJAA C[C@@H](C(=O)N1CCn2cccc2[C@@H]1c1ccccc1)n1ccnc1-c1ccccc1 134196251 JBDVSPOSGPUKOI-CVDCTZTESA-N 396.494 4.544 0 50 GJAA O=C(c1cnc(-c2ccncc2)s1)N1CCC(c2c[nH]c3ccccc23)CC1 172833301 MHWVLIODSPRSKU-UHFFFAOYSA-N 388.496 4.706 0 50 GJAA COP(=O)(OC)[C@@]1(O)[C@H]2CCC[C@H]1[C@@H](c1ccccc1)C1=C2CCCC1 239302596 FLRSDWGCLTWBAU-TUFLPTIASA-N 376.433 5.245 0 50 GJAA CC(C)[C@@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 252523079 BVJDBECQSJXZTC-HSZRJFAPSA-N 388.515 4.891 0 50 GJAA C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 462269433 MCWADJXITWQXSQ-NYHFZMIOSA-N 377.488 4.797 0 50 GJAA COc1ccccc1N1CC[C@@H](CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)C1 749865790 YKMSSOWTHWMOMN-KRWDZBQOSA-N 391.515 4.556 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)c1 629954 SQDXESGTTJTEMK-GLSWWRQESA-N 379.459 4.782 0 50 GJAA Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 1225922 UXVZGIQJMTUDIQ-ZQFKLAOWSA-N 379.459 4.566 0 50 GJAA biogenic CCCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1801445 SZTWVWLIONQCJB-UHFFFAOYSA-N 375.852 4.541 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 2840543 RNOZKLMACXTDNA-UHFFFAOYSA-N 394.544 4.875 0 50 GJAA O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2oc1=O 2851807 HWCHPJFVXJYKEM-UHFFFAOYSA-N 389.838 4.966 0 50 GJAA COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)c1 2916099 ORFIAEQJALGVSM-UHFFFAOYSA-N 380.256 4.773 0 50 GJAA COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Br 4989934 HNHPERIUDSJUDN-UHFFFAOYSA-N 377.263 4.628 0 50 GJAA O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@@H](c2ccncc2)N1 5090842 BYVRVRCADFEDKD-HSZRJFAPSA-N 378.435 4.552 0 50 GJAA Cc1cccc(N2C(=N)S/C(=C\c3c[nH]nc3-c3ccc(F)cc3)C2=O)c1 5602744 RDCWSANSYNHYCX-NFFGIOBBSA-N 378.432 4.580 0 50 GJAA Nc1c(C(=O)Nc2ccc(Br)cc2Cl)sc2ncccc12 10010810 BISPGGDEIJXXON-UHFFFAOYSA-N 382.670 4.547 0 50 GJAA Cc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)CCC(C)C 12054120 KUFSRLRKCFPLLE-UHFFFAOYSA-N 385.508 4.687 0 50 GJAA Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)oc2c1C 12306878 MEBWEAOZZJNLDC-LJQANCHMSA-N 378.472 4.574 0 50 GJAA CC1=C[C@H](C)[C@@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@@H](C)C1 12384969 GMXNCELBMADRND-NPPFBWRTSA-N 390.593 4.831 0 50 GJAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C[C@@H]2CCOC2)CC1 12465515 KCTKQIJFSAJZNG-KRWDZBQOSA-N 398.934 4.694 0 50 GJAA COc1ccc(OC)c(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1 12581498 URQARMKEOXBUIM-MRXNPFEDSA-N 385.529 4.521 0 50 GJAA c1coc(-c2ccc(N3CCC(NCCc4nc5ccccc5o4)CC3)cc2)c1 23380267 QPDPPOHIMGQJSX-UHFFFAOYSA-N 387.483 4.889 0 50 GJAA O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccc(F)cc1 55236080 OJVBAMPVEVJKKF-UHFFFAOYSA-N 392.478 4.576 0 50 GJAA CCCn1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3c(C)cc(C)cc3n2)cn1 63845694 DUKCXCWGZIMOSW-QGZVFWFLSA-N 376.504 4.750 0 50 GJAA COc1ccc(CN2CCCC2)cc1Oc1ccc(C(=O)N2CCCCC2)cc1 67688802 DWMRHSJUDBCYAU-UHFFFAOYSA-N 394.515 4.709 0 50 GJAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc3ncsc3c2)C1 92081128 GRVDVLMTUSYRRV-QFIPXVFZSA-N 394.496 4.510 0 50 GJAA CC[C@H]1CN(C(=O)c2csc(-c3ccccc3OC)n2)c2ccccc2O1 170640617 OYAKSMRHPPTUBJ-AWEZNQCLSA-N 380.469 4.637 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1nccnc1F 196204542 CPMUYXLMGZRVEH-UHFFFAOYSA-N 387.131 4.672 0 50 GJAA Cc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)c1 649765 UENLMGAGTAMCPU-UHFFFAOYSA-N 388.496 4.675 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 771826 ZYSWBDASMRTCDG-NFJKTXFASA-N 399.877 4.911 0 50 GJAA biogenic O=C(NC(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2773834 DOMIRZCBJXVFDT-UHFFFAOYSA-N 377.312 4.902 0 50 GJAA Cc1ccc(F)cc1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 2796464 OBHUUFFJHDKXJQ-UHFFFAOYSA-N 393.340 4.638 0 50 GJAA CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1C 2830577 FOISWSCQCPHVQY-UHFFFAOYSA-N 380.517 4.621 0 50 GJAA COc1cccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)c1 4625762 SEMYGYPFIORBGA-UHFFFAOYSA-N 392.358 4.538 0 50 GJAA CC(=O)Oc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1Cl 4914495 JEZLHZREOFVZKV-PKNBQFBNSA-N 381.815 4.909 0 50 GJAA COc1cc(Cl)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 15010802 HNIQKPOYUKKKKJ-MFOYZWKCSA-N 389.860 4.594 0 50 GJAA Cc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4ccn(C)n4)nc32)cc1 20605762 KQVNPJCQWMBCFZ-UHFFFAOYSA-N 385.393 4.516 0 50 GJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)on1 64985176 LNVDXPILENPZCA-HNNXBMFYSA-N 378.270 4.677 0 50 GJAA c1ccc(-c2ncn(Cc3noc([C@H]4CCCO4)n3)c2-c2ccsc2)cc1 65387335 KAQTXNUSGNITMQ-MRXNPFEDSA-N 378.457 4.561 0 50 GJAA Fc1cccc(CN2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F 72164640 AGVKIXKFLYWSRF-JOCHJYFZSA-N 383.442 4.599 0 50 GJAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)ccc3Br)cc2)n1 156221255 JNPJMJOKONGGNS-UHFFFAOYSA-N 388.240 4.643 0 50 GJAA CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1cccc(OC)c1 225781879 VUAYLRCHFONZFK-KRWDZBQOSA-N 394.327 4.657 0 50 GJAA Cc1nc(O)c(C(=O)Nc2nc3cc(Cl)ccc3n2C)cc1-c1ccccc1 241466195 NVKDSBPUQUDASL-UHFFFAOYSA-N 392.846 4.555 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2cc(C)nc3onc(C)c23)c1 825162239 ZBHNDVLSEYOASH-UHFFFAOYSA-N 392.459 4.529 0 50 GJAA COc1ccc(OC)c2c(C)cc(N3CCOc4ccc(Cl)cc4C3)nc12 1704304485 FKEGUPGXDGTQAJ-UHFFFAOYSA-N 384.863 4.613 0 50 GJAA C[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1cc(Cl)ccc1OC(F)F 1875255079 KPZOCERSMYRZAL-SECBINFHSA-N 382.794 4.915 0 50 GJAA Cc1cc(O)nc(-c2cccc(NC(=O)c3ccnc(Oc4ccccc4)c3)c2)n1 1875258244 OEBBIXHFRKHEPE-UHFFFAOYSA-N 398.422 4.597 0 50 GJAA Cc1cc(S(=O)(=O)Oc2cccc3ccccc23)c(C)cc1Br 1875302358 MKUPCBXUWQYOGA-UHFFFAOYSA-N 391.286 4.987 0 50 GJAA Cc1cc(F)c(CN(CCc2ccccc2)[C@H]2CCOC2)c(Br)c1 2325870448 YLSSMQUUKUFHRM-KRWDZBQOSA-N 392.312 4.730 0 50 GJAA COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)C(C)C 1122469 QKCJQRIZCPZWRE-UHFFFAOYSA-N 381.259 4.849 0 50 GJAA O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)NCc2ccccc2)cc1 1128696 YGOCLPQDPIKZGD-UHFFFAOYSA-N 394.474 4.951 0 50 GJAA O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(Oc2ccccc2)cc1 1131316 ROLQZSMWLBVLTJ-UHFFFAOYSA-N 389.436 4.899 0 50 GJAA O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 1138642 DRXITMGXSDAVAU-UHFFFAOYSA-N 390.508 4.738 0 50 GJAA CCCC(=O)NC(=S)Nc1cc(-c2nc3cc(CC)ccc3o2)ccc1C 1179684 SZPKJOMFVDFAMR-UHFFFAOYSA-N 381.501 4.979 0 50 GJAA CC(=O)c1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1180534 AIAPHIWEQATDOU-SOFGYWHQSA-N 393.295 4.722 0 50 GJAA CCc1ccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 1882424 IFZUUVNDIBBMKG-UHFFFAOYSA-N 382.489 4.940 0 50 GJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3cccc(OC)c3)s2)c1 2343487 FNZFKHQMOSSEJZ-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 2826454 XWHCAMNAIZFUKW-UHFFFAOYSA-N 390.826 4.701 0 50 GJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccco2)on1 4881127 QUFWLMHXTNFCFL-UHFFFAOYSA-N 396.834 4.702 0 50 GJAA O=C(C1CCCCC1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 15072256 FFMRQOBAEJXZLH-IBGZPJMESA-N 390.518 4.606 0 50 GJAA O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 77377786 NFHQNFSYWWQMQK-FQEVSTJZSA-N 384.483 4.502 0 50 GJAA CC(C)c1ccc(CSc2nnc(SCCn3ccnc3)s2)cc1 121862995 MQRKMPOJTKLVSX-UHFFFAOYSA-N 376.576 4.943 0 50 GJAA CCCCOc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1 169762136 TZNYUPIALCDJNZ-QGZVFWFLSA-N 383.492 4.564 0 50 GJAA CCO[C@H]1C[C@@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 170638761 QWOLFGKVXQVPTO-KGLIPLIRSA-N 398.450 4.701 0 50 GJAA c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1 205895150 IXEPQJQQSLMESJ-UHFFFAOYSA-N 394.522 4.690 0 50 GJAA C[C@]1(c2ccccc2)CC[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C1 245226480 ZFUNSQLABWWPNS-LQWHRVPQSA-N 398.300 4.697 0 50 GJAA COc1cc(C(=O)O[C@H]2CC(C)=CCCC(C)=C[C@H](O)[C@@H]2C(C)C)ccc1O 254093158 OLJDCWYDXLXFJK-BVSLBCMMSA-N 388.504 4.636 0 50 GJAA biogenic Clc1ccccc1-c1noc(-c2ncn3c2CO[C@@H](c2ccccc2)C3)n1 263616778 KMHPSICPPOHKNU-QGZVFWFLSA-N 378.819 4.525 0 50 GJAA C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 299802258 YKTULAQRHMEQCJ-INIZCTEOSA-N 385.533 4.989 0 50 GJAA COc1c(CNC(=O)NCc2ccc(-c3ccncc3)cc2)oc2ccccc12 473719290 YLWGSCFNXDTSAZ-UHFFFAOYSA-N 387.439 4.503 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)cc1 1506400628 XAAQMYVETPWPJC-QHCPKHFHSA-N 388.515 4.506 0 50 GJAA CCO[C@@H](C)c1nc(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cs1 1875258846 JXMGEZDMBNAZCO-CABCVRRESA-N 397.500 4.919 0 50 GJAA COc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 944897 PSUQZKOYOFEGGY-UHFFFAOYSA-N 392.293 4.773 0 50 GJAA COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1Cl 1131343 KQNFLIWMXAUXHM-UHFFFAOYSA-N 384.643 4.595 0 50 GJAA COc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 1794463 TXUCIPPIWAUCGP-UHFFFAOYSA-N 398.267 4.626 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 2982460 CGTSCKUGKZEKSJ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA C[C@@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)C1CC1 11819822 ZKOSCVAGIZZOBG-SNVBAGLBSA-N 379.407 4.610 0 50 GJAA Cc1ccccc1NC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1 15800535 HIRDOJHUCWEIJY-UHFFFAOYSA-N 385.518 4.708 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@@H]1CCn1ccnc1 23506324 NLWJLBDUMHKTHP-LJQANCHMSA-N 384.911 4.945 0 50 GJAA Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 33086883 WFKQFFBGJCNLRP-HXUWFJFHSA-N 388.533 4.865 0 50 GJAA C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CCCO1 171643133 DNDKXOLHZVRGAT-ZDUSSCGKSA-N 385.464 4.745 0 50 GJAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 239434026 YXDAVHZJKJSZKJ-XGRCMKMKSA-N 389.495 5.478 0 50 GJAA CCSCCC(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 239760986 CJAWABOAXZHFMF-YJBOKZPZSA-N 389.483 4.775 0 50 GJAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303651921 BHSJEDGCHMFENA-SLYNCCJLSA-N 386.499 4.728 0 50 GJAA Cc1ccc(C)n1CCCC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 334160936 PDSCJCADXDOFHM-QHCPKHFHSA-N 386.499 4.667 0 50 GJAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC(c2ccncc2)CC1 426547534 DLAGBUBXBIXSET-UHFFFAOYSA-N 378.303 4.786 0 50 GJAA CCOc1ccccc1CN(C(=O)c1cccc(-c2cccc(N)n2)c1)C1CC1 426589720 FFJSAGCDYLWNOZ-UHFFFAOYSA-N 387.483 4.534 0 50 GJAA CC[C@H](NC(=O)c1cc(-c2ccccc2F)no1)c1nc(C(F)(F)F)cs1 1875320419 CHLBLIZMVVAODZ-NSHDSACASA-N 399.369 4.837 0 50 GJAA CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(C2CCCC2)cc1 2325854408 CHUQFCUFAAQBOG-QHCPKHFHSA-N 394.515 4.503 0 50 GJAA COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 601874 IUMQXQJZIHWLIN-HSZRJFAPSA-N 396.446 4.546 0 50 GJAA aggregator,biogenic,in-vitro COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccccc1 668777 TVWCHNJPMIYANN-UHFFFAOYSA-N 395.480 4.836 0 50 GJAA COc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 878132 QRVJMOYOVNMZBM-UHFFFAOYSA-N 388.876 4.657 0 50 GJAA Cc1cc2nc(SCC(=O)N(C)C)n(Cc3ccccc3Cl)c2cc1C 1060010 ADBKAPRLGYTZHQ-UHFFFAOYSA-N 387.936 4.535 0 50 GJAA CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 1125203 LPMMSGORSIHKGW-UHFFFAOYSA-N 389.864 4.520 0 50 GJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1 1184181 YROOAOJSWVCMRP-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA CC[C@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3OC)c(=O)c21 1268536 WVSQFRSNDJCTOA-JOCHJYFZSA-N 378.497 4.794 0 50 GJAA O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2)c1cccnc1 2755834 QSTCLWYBVHMOSU-UHFFFAOYSA-N 391.496 4.917 0 50 GJAA O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1 3183245 AHEYNPUBKGBBDR-UHFFFAOYSA-N 395.894 4.897 0 50 GJAA O=C(NCc1ccc(Cl)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 4771075 RXEIDTMMYQPURI-UHFFFAOYSA-N 388.854 4.759 0 50 GJAA COc1cc2c(cc1NC(=O)c1ccc(OC(C)=O)cc1)oc1ccccc12 4832030 DRFSOWUMJMJTRT-UHFFFAOYSA-N 375.380 4.772 0 50 GJAA CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 4855683 DENYDUNJGORKCD-UHFFFAOYSA-N 390.508 4.981 0 50 GJAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1oc(C)cc1C 14980572 DNXXEJBUJHNTBL-UHFFFAOYSA-N 382.548 4.622 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2F)c(C)n1 15075759 SFZYQJZLCMJELS-DEOSSOPVSA-N 388.490 4.980 0 50 GJAA COC[C@@H](C)Oc1ccc(CN(C(=O)c2ccccc2OC)C2CCCC2)cc1 20775203 ODNHOMAQVHZPHQ-GOSISDBHSA-N 397.515 4.694 0 50 GJAA Cc1c(C=O)[nH]c([C@H](C)c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C)c1C 25762934 DEXBNZVJKOQGKH-KRWDZBQOSA-N 378.472 4.898 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3ccncn3)c(-c3ccccc3)n2)c1 55120346 LQKCXFUHGSUWPB-UHFFFAOYSA-N 383.499 4.578 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)N[C@H]1CC[C@@H](C(=O)O)CC1 2100483816 NRAYMMZBBTVLCN-DBVUQKKJSA-N 385.891 4.622 0 50 GJAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(C)C 630464 NVPSRXIQWOOXQY-UHFFFAOYSA-N 380.440 4.971 0 50 GJAA biogenic Cc1cccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)c1 642799 AIQSFMUIYJMCCW-UHFFFAOYSA-N 386.476 4.669 0 50 GJAA CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 797249 FAQYWWCIGHGTKI-UHFFFAOYSA-N 378.664 4.650 0 50 GJAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(CC)CC)c1ccccc1CC2 869960 PKVSXVOAGGXVLM-UHFFFAOYSA-N 381.476 4.954 0 50 GJAA biogenic Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 882126 ZQVVYXLYFKQGPC-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2cccs2)cc1 1000122 SOEVSZHCEJEUSV-UHFFFAOYSA-N 378.405 4.749 0 50 GJAA COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1O 1205196 UIESNEAFIDJNHL-HXUWFJFHSA-N 380.831 4.825 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 4741616 JVBUOAWTOZQZLK-OAQYLSRUSA-N 384.439 4.865 0 50 GJAA COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5611809 DZKNTBXSTVCOGQ-DENIHFKCSA-N 391.858 4.986 0 50 GJAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccc1)-c1ccccc1CC3 5729586 MUYTVTYIMIQSDD-UHFFFAOYSA-N 376.506 4.934 0 50 GJAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 11844448 ZVLIPCZVIOHLSQ-ZDUSSCGKSA-N 395.846 4.893 0 50 GJAA CN1CCC(N(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 12431374 BAVGIAMBPQLBIJ-UHFFFAOYSA-N 380.580 4.661 0 50 GJAA C[C@@H]1CCCN1c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 67741927 MENFNZMMFQQMIN-LJQANCHMSA-N 377.532 4.555 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1Cn1cc(CO)c(-c2cccs2)n1 67757408 ZYOBQNJAHGWXBM-UHFFFAOYSA-N 385.876 4.769 0 50 GJAA C[S@](=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F 173227402 YKKCKAYDHVIZDQ-BWJFDKCMSA-N 386.275 4.612 0 50 GJAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 246077384 JXDAYTOYPPGWCQ-DFEOGRTESA-N 375.459 4.599 0 50 GJAA CC(C)CC[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O 253536124 CTXZLVFEGVGHRL-SNVBAGLBSA-N 399.716 4.911 0 50 GJAA Cc1cc(-n2cncn2)ccc1C(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 464223808 OCSUIEOTRYZMNQ-XMMPIXPASA-N 394.478 4.516 0 50 GJAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCOc1ccccc1-c1ccccc1 470328432 PIRRNHCPQADMSY-UHFFFAOYSA-N 391.515 4.802 0 50 GJAA O=C(c1cccc(-c2ccccc2F)c1)N(Cc1ccncc1)C[C@H]1CCCO1 1506407065 IKIAANSWGLIJMO-OAQYLSRUSA-N 390.458 4.709 0 50 GJAA Cc1nn(C)c(NC(=O)Nc2ccc(F)cc2OC(C)C)c1-c1ccccc1 1875303748 LOMJWSJBMWKMSX-UHFFFAOYSA-N 382.439 4.966 0 50 GJAA O=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)c(Cl)cc1Br 1875319145 QPVAQWOEXKPOGN-UHFFFAOYSA-N 399.068 4.696 0 50 GJAA O=C(Nc1ncc([C@H]2CCCCO2)s1)N1CCC[C@@H]1c1ccccc1F 2325789981 AKRDBHDROXQPLB-HZPDHXFCSA-N 375.469 4.893 0 50 GJAA O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325842165 QABBSOXZLWTYCA-SFHVURJKSA-N 397.425 4.665 0 50 GJAA COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 974914 TUYVMDVJPHNIEL-UNOMPAQXSA-N 382.485 4.925 0 50 GJAA Cc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1C 1059587 ZXKHOTNSHOVMIT-UHFFFAOYSA-N 376.197 4.625 0 50 GJAA Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 1062842 BTQKDDBCFVZKPX-UHFFFAOYSA-N 375.424 4.598 0 50 GJAA Cc1cc(C)cc(NC(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 1117962 QCXJNTWNOXRGEH-UHFFFAOYSA-N 391.467 4.615 0 50 GJAA Cc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)c2cccc(C)c2n1 1170360 GVHUWOXUVOXZNP-UHFFFAOYSA-N 398.256 4.654 0 50 GJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1 1175362 ANPJJGFOZPXJNJ-UHFFFAOYSA-N 381.501 4.714 0 50 GJAA O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(Br)o1 2982333 KYBQQAIIZJXWST-IZZDOVSWSA-N 387.016 4.693 0 50 GJAA Cc1c([C@H](C)NCc2ccc(OC(F)F)cc2)cnn1-c1cccc(F)c1 12463838 UCLOWWMYRGMCQB-ZDUSSCGKSA-N 375.394 4.772 0 50 GJAA COc1cccc(-c2cccc(NC(=O)C3CCN(CCCSC)CC3)c2)c1 19218723 QHUNWJCXAJQZLX-UHFFFAOYSA-N 398.572 4.766 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c(OC)c1 20997781 SNXKTSPCUUGNME-HXUWFJFHSA-N 391.515 4.782 0 50 GJAA Cc1nc(-c2ccc(N3CCC(N[C@@H](C)Cc4cccnc4)CC3)cc2)cs1 55401575 PYTLITJHSCYUMP-KRWDZBQOSA-N 392.572 4.703 0 50 GJAA CSc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)cc1 67673841 ZIHVQAKMMOHMLU-IBGZPJMESA-N 396.556 4.938 0 50 GJAA O=C(Nc1cccc(N2CCCCCC2)c1)N(CCO)[C@@H]1CCc2ccccc21 126849368 VXHQGSSPKZNGOK-HSZRJFAPSA-N 393.531 4.581 0 50 GJAA C[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F 142873014 JERZEQUMJNCPRJ-KRWDZBQOSA-N 397.784 4.650 0 50 GJAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](C)c1oc2ccccc2c1C 154704790 DONAHVZNXFDXEW-AWEZNQCLSA-N 394.393 4.964 0 50 GJAA CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C 1776004291 ONBHDZACFHPVBV-UHFFFAOYSA-N 398.322 4.574 0 50 GJAA O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccnn1C(F)F 1875329988 NJMXBZAJXGNRKK-UHFFFAOYSA-N 384.411 4.731 0 50 GJAA COc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1Br 2325824215 URGFRTMSTPTZEZ-UHFFFAOYSA-N 396.697 4.795 0 50 GJAA Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)s1 2325880152 WWDUDKRKMCYFJT-UHFFFAOYSA-N 399.541 4.520 0 50 GJAA Cc1ccc(CN2C(=O)[C@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)cc1 1121025 PBAUOFOXSCMFQF-RUZDIDTESA-N 382.463 4.567 0 50 GJAA Cc1ccc(C(=O)N[C@@H](Nc2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 1187808 TVNFNHSVTYWGHR-OAHLLOKOSA-N 375.658 4.672 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1 1209751 XELZBHHSUVMGLB-UHFFFAOYSA-N 390.508 4.728 0 50 GJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 2777376 ZDDFOZPQYIHBKW-UHFFFAOYSA-N 379.847 4.914 0 50 GJAA CC(C)[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 4644078 CKRYSJREVNBPAY-IBGZPJMESA-N 395.528 4.682 0 50 GJAA COc1ccc(CC2(CO)CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 12465367 GJRLLBCFDKNLAD-UHFFFAOYSA-N 393.449 4.531 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccccc1 13961577 ZFFVYYJVQXPLLU-QFIPXVFZSA-N 377.488 4.634 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1CCn1ccnc1 20993061 UOXVWZASDOIPRU-QGZVFWFLSA-N 384.911 4.945 0 50 GJAA O=C(OCc1ccccc1)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 22050594 LWZWKAWTHAMCLH-QHCPKHFHSA-N 377.459 4.770 0 50 GJAA in-vitro COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 22236692 ZPSIXETZDPMWDQ-IBGZPJMESA-N 382.847 4.981 0 50 GJAA COc1ccc2[nH]c(CN3CCC[C@@H](N4CCc5ccccc5C4)C3)c(C)c2c1 23360282 RWBHOBODSVVHJW-OAQYLSRUSA-N 389.543 4.508 0 50 GJAA Cc1ccccc1Cc1nnc(NC(=O)N2CCCC[C@H]2c2nccs2)s1 23544178 NKRHBDHRDHUTMN-HNNXBMFYSA-N 399.545 4.653 0 50 GJAA COc1ccc([C@H](CC(=O)N(C)Cc2cnc3ccccn23)c2ccccc2)cc1 39442130 YYMGTIUFOHFDFQ-HSZRJFAPSA-N 399.494 4.524 0 50 GJAA CCCc1ncc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)cn1 71315480 WUAWPHJQAOSGOP-UHFFFAOYSA-N 384.483 4.796 0 50 GJAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](Cc4ccc(F)cc4)C3)cc2)n1 77472563 FVHLKJGHWXCTDC-FQEVSTJZSA-N 391.490 4.723 0 50 GJAA NCC[C@H]1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1 96135670 MJMUSLKTGRSPSC-MRXNPFEDSA-N 387.524 4.711 0 50 GJAA CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1cccc(-c2cscn2)c1 96161855 LSMCRPIGSXCGGY-UHFFFAOYSA-N 383.477 4.515 0 50 GJAA CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 136620330 ZBULIMFQRZMOJA-ORIJERBGSA-N 375.534 4.814 0 50 GJAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc2sncc2c1 170609539 QZMMLPCQESYBHO-GOSISDBHSA-N 387.480 4.659 0 50 GJAA Cc1coc(-c2cc(N[C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2C)n1 777702917 BXXNSTSTTQTQCR-CVDCTZTESA-N 391.515 4.660 0 50 GJAA OC1([C@H]2CCCN2Cc2ccccc2OCc2c(F)cccc2Cl)CC1 1772818274 BTYIFHXSQJZBBD-HXUWFJFHSA-N 375.871 4.547 0 50 GJAA O=C(N[C@@H](Cc1ccccc1)Cc1cccnc1)c1ccc(CC2CC2)s1 2325853039 BCTDVLGXYJDLCF-FQEVSTJZSA-N 376.525 4.679 0 50 GJAA COc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1 815308 HXTPBSPTIVCTGF-UHFFFAOYSA-N 394.381 4.595 0 50 GJAA CCOc1ccccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 956495 VDUKXNFRQZMXNL-UHFFFAOYSA-N 377.440 4.682 0 50 GJAA O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(Cl)cn1 975098 IBVZJLDIALJPAW-UHFFFAOYSA-N 391.858 4.679 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 1116138 YJHROOQDVLOIPY-ZDUSSCGKSA-N 379.287 5.000 0 50 GJAA CC(C)[C@@H]1Nc2c(C(=O)O)cccc2[C@H](Nc2ccccc2C(=O)O)C1(C)C 2484209 LAONMPGUGGBWNR-OALUTQOASA-N 382.460 4.713 0 50 GJAA CCOC(=O)[C@H](CC)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2959400 FXAQSRVPSOCYOW-FQEVSTJZSA-N 394.467 4.721 0 50 GJAA biogenic COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 4839801 LIMZBVSPZWZRNT-UHFFFAOYSA-N 396.874 4.978 0 50 GJAA C[C@H](CN1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1)c1ccccc1 12437510 YBEWUPRREJFDMF-HXUWFJFHSA-N 392.543 4.570 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71746524 FYRZJTPWMCJRGJ-KRWDZBQOSA-N 378.447 4.565 0 50 GJAA C[C@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1nc(-c2ccccc2)cs1 175745753 IKOLWKZSCRMHRE-INIZCTEOSA-N 398.576 4.577 0 50 GJAA COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 216139241 ALTPZJDOUFZYFT-UGKGYDQZSA-N 391.858 4.986 0 50 GJAA Cc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 226816843 DTUQFRUTJMATAT-XAYKYTGQSA-N 395.450 4.982 0 50 GJAA CC(C)(C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 334162872 SSEUSAYWDUPCJK-SFHVURJKSA-N 399.878 4.672 0 50 GJAA CCCc1nc(C)c(CNC(=O)c2cccc(-c3cnn(CC)c3C)c2)s1 534675551 KFTPETFQUAHTOL-UHFFFAOYSA-N 382.533 4.526 0 50 GJAA CCOc1ccc(N(C)C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)cc1 766708523 CTPYSECBEJMNFJ-UHFFFAOYSA-N 398.484 4.503 0 50 GJAA Cc1[nH]nc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1-c1ccc(Cl)cc1 1457985862 XCOPHIBRVVYIOB-UHFFFAOYSA-N 395.825 4.616 0 50 GJAA Cn1ccc(-c2nc(-c3cccc4c3ccn4C)n(CCC3CCCCC3)n2)n1 1875348739 AOITVRQLTHVRLG-UHFFFAOYSA-N 388.519 4.808 0 50 GJAA CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1ccc2nnc(C(C)(C)C)n2c1 2325738965 JBUKGMWWTMTQBI-WOJBJXKFSA-N 390.531 4.744 0 50 GJAA CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccnc1 671189 CGWSLBJXWLPXNC-UHFFFAOYSA-N 386.860 4.893 0 50 GJAA Cc1ccc(Cn2c(NCc3nc4ccccc4n3C)nc3ccccc32)cc1 970704 OTIJZSLFLVUWCZ-UHFFFAOYSA-N 381.483 4.892 0 50 GJAA CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CC1 999227 PRVBVITZLIFATO-UHFFFAOYSA-N 394.290 4.703 0 50 GJAA CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2s1 1068672 AHPOVWPCNUAFSX-UHFFFAOYSA-N 397.500 4.669 0 50 GJAA COc1ccc(C(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1 1112014 RJVSDKOTRPUDAC-UHFFFAOYSA-N 391.452 4.528 0 50 GJAA CCOc1cc(C(=O)Nc2cccc(OC)c2)ccc1OCc1ccccc1 1142314 CGEVFALKLRXGQE-UHFFFAOYSA-N 377.440 4.925 0 50 GJAA Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1-c1ccccc1 2541827 LDODEJBUSOBVJX-UHFFFAOYSA-N 380.300 4.874 0 50 GJAA O[C@H](CNCc1ccco1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4190383 MYFKSKBVPJLTID-OAHLLOKOSA-N 389.282 4.845 0 50 GJAA Cc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c(C)c2c1 5090777 IXLAXZSCCSQWDK-UHFFFAOYSA-N 384.863 4.792 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 12431353 UDRBJHTXOHMTGL-SFHVURJKSA-N 377.415 4.821 0 50 GJAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c(F)c1 15074306 LJQOUHRZNMIVJN-JOCHJYFZSA-N 393.487 4.920 0 50 GJAA Cc1cc(C)c(-[n+]2cn3c(n2)CO[C@@H](c2ccccc2)[C@H]3c2ccccc2)c(C)c1 71772025 PXMSHRRGWMGLDR-FTJBHMTQSA-N 396.514 4.946 0 50 GJAA O=C(Nc1ccc(-c2cnco2)cc1)c1[nH]c2ccccc2c1Br 133337138 ZZERBXWNWIYXFC-UHFFFAOYSA-N 382.217 4.838 0 50 GJAA COc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cccc1C(=O)O 143655233 OSCZLANPSOIMDE-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 151291859 OMOSTMSWKNEBPB-CVEARBPZSA-N 397.881 4.865 0 50 GJAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 153969565 HEHTUTAJVLUXDF-UHFFFAOYSA-N 392.425 4.903 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 257356731 JYBLPRVSUYUPPM-ZXBGLLSLSA-N 385.592 4.878 0 50 GJAA c1ccc(-n2cc(CN(Cc3cc(CN4CCCC4)cs3)C3CC3)cn2)cc1 829070281 AKESYFNFJFZNLW-UHFFFAOYSA-N 392.572 4.694 0 50 GJAA CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 939244 HVEDWBIMVTZWMW-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1c2ccccc2Oc2ccccc21 1002416 INIZHJPHPKIIBO-UHFFFAOYSA-N 399.425 4.947 0 50 GJAA COc1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 1020377 QBTSPCMQWRGXCW-BJKOFHAPSA-N 387.483 4.606 0 50 GJAA biogenic COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 1125564 HFNZJPZVWMGPLX-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA C1=Cc2ccccc2C(=C2CCN(CCCCc3nnn[nH]3)CC2)c2ccccc21 1540772 LQNGMDUIRLSESZ-UHFFFAOYSA-N 397.526 4.604 0 50 GJAA in-vitro CCCOc1ccc(-c2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 2361003 LFMIQUSVUSMYIQ-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 4148803 FFFMJPOQTZYKPS-UHFFFAOYSA-N 396.903 4.633 0 50 GJAA COc1ccc(/C=C2\CCCC3=C2NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 6404146 LWRQTWWJJNMEKW-UEBLJOKOSA-N 392.524 4.744 0 50 GJAA O=C(/C=C\c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1 11680494 WZBNEZWCNKUOSM-SREVYHEPSA-N 375.211 4.825 0 50 GJAA Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)o1 11754111 WOYYRIXCAUNXGW-LJQANCHMSA-N 377.488 4.834 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(Cc2ccc(F)c(F)c2)CC3)c1 12042524 WXXOURSSSCYIRH-IBGZPJMESA-N 384.470 4.822 0 50 GJAA CC(=O)c1cc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cs1 12835872 VCZUUTXDJQZFTC-UHFFFAOYSA-N 398.572 4.602 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C[C@@H](C)O1 15931065 ZGQCDPXTQARJRN-HDICACEKSA-N 375.468 4.668 0 50 GJAA Cc1cnccc1CNC(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 39557817 VGJSQAVBFOFVPM-HXUWFJFHSA-N 380.875 4.587 0 50 GJAA CCOc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)ccc1O 65533162 QWIOJDZDCQUVEX-UHFFFAOYSA-N 389.455 4.975 0 50 GJAA COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1[C@@H]1CCCN(C(C)=O)C1 65535646 PKPXVZQDNPZBAH-HXUWFJFHSA-N 389.499 4.718 0 50 GJAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3c[nH]c4ccccc34)nc2)C1 67674942 QFWNRODQQBFGCE-SFHVURJKSA-N 389.499 4.697 0 50 GJAA CCc1nc(C2(NC(=O)Nc3cccc(N4CCCCCC4)c3)CCCC2)no1 176571609 ACUJUHRWJDYTDU-UHFFFAOYSA-N 397.523 4.603 0 50 GJAA CSCC[C@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2n1C 263588489 UTGLJINURSAZPQ-AZUAARDMSA-N 398.576 4.573 0 50 GJAA O=S(=O)(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2ccccc2c1 730768241 JIUZNXOSCXAVNR-UHFFFAOYSA-N 386.904 4.894 0 50 GJAA COc1cc(/C=C/C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)ccc1F 2325702478 MDMFCTSDQRWBQU-VMPITWQZSA-N 380.394 4.996 0 50 GJAA CC(=O)N1c2ccccc2C(=O)O[C@H]1c1sc(Cl)c(Cl)c1Cl 986116 XDZGAVGAXYDJCA-ZDUSSCGKSA-N 376.648 4.930 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)C1 2513078 KKYVRPWWYUVUPJ-SFHVURJKSA-N 388.291 4.638 0 50 GJAA CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(CCC(=O)O)c2C1 2582430 SBHSLICCZIOYEQ-UHFFFAOYSA-N 390.277 4.547 0 50 GJAA Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 2738083 IGDJMRCASYCMPR-IAGOWNOFSA-N 384.501 4.847 0 50 GJAA Cc1c(C(=O)NC2CC2)sc2ncnc(NCc3cc4ccccc4s3)c12 11977099 LFJFQCZBEOYUBR-UHFFFAOYSA-N 394.525 4.719 0 50 GJAA O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccs1)c1ccccn1 20725059 HJRKLGHMBMTRTF-UHFFFAOYSA-N 394.521 4.809 0 50 GJAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc(OC)c1OC 36620362 LAWLBUIOBBTLIK-MRXNPFEDSA-N 390.867 4.735 0 50 GJAA Cc1ccc(CN(C)[C@H](c2ccccc2)c2nnnn2-c2ccccc2C)cc1 55447626 MTCGSQUVBZQPHI-HSZRJFAPSA-N 383.499 4.501 0 50 GJAA COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1n[nH]c2c1CCC2 67654162 HWHBVIHFSPKWDQ-UHFFFAOYSA-N 388.446 4.625 0 50 GJAA Cc1ccsc1-c1nc(CN(C)Cc2cc(-c3ccncc3)no2)c(C)o1 67675606 GJANGHDXYNOCPH-UHFFFAOYSA-N 380.473 4.702 0 50 GJAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71551770 GMIBKZSNOLHVQW-HNNXBMFYSA-N 380.410 4.795 0 50 GJAA Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 72474969 SMMLKKAHBWQMTP-HSZRJFAPSA-N 395.543 4.520 0 50 GJAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 239105237 ICEKADLMYDOOAN-FNDUUJAJSA-N 397.302 4.695 0 50 GJAA Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 252498341 QZDXVMZISGLOQO-OAHLLOKOSA-N 394.397 4.772 0 50 GJAA FC(F)Oc1cc(Br)c(OC(F)(F)F)c(Br)c1 263623578 IQYWUDOWHZMNPZ-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA Cc1ccc2c(C)nc(N3CCC[C@@H](N[C@H](C)CCCC(C)(C)O)CC3)nc2c1 299770845 RVRGWACUIKBZQQ-UYAOXDASSA-N 398.595 4.525 0 50 GJAA O=C(c1ccnn1C1CCCC1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 329314080 GXELUNWBEJIPPD-FQEVSTJZSA-N 389.503 4.756 0 50 GJAA C[C@@H](Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)C(=O)O 431991952 DZIGHLMQPWEMIH-KRWDZBQOSA-N 389.451 4.781 0 50 GJAA CCc1cccc(C)c1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 2325720346 SNQBBDOWVKUSQK-UHFFFAOYSA-N 387.530 4.796 0 50 GJAA O=C(COc1ccc2ccccc2c1Br)N1CCc2ccccc21 671148 CXNHMHPUTDTARX-UHFFFAOYSA-N 382.257 4.570 0 50 GJAA O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 1138989 HVQGCBSMCFKPED-UHFFFAOYSA-N 380.311 4.530 0 50 GJAA CCOc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1 1148824 AZRSIRQSTAOCMQ-UHFFFAOYSA-N 379.437 4.991 0 50 GJAA O=C(N[C@H](CC1CCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2383885 NVZVRXJTMCMDNR-OAQYLSRUSA-N 379.456 4.559 0 50 GJAA biogenic CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 12301928 YQSKMUGDBMNLST-UHFFFAOYSA-N 392.503 4.750 0 50 GJAA O=C(CSc1ccccn1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 15002449 JEWHWMPFYASDMX-UHFFFAOYSA-N 382.529 4.544 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 15268678 VIIMASMVLJZDMF-UHFFFAOYSA-N 382.423 4.508 0 50 GJAA C[C@H](CC(=O)O)CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 17077783 YAUSYOWZHRYFRW-AWEZNQCLSA-N 380.469 4.917 0 50 GJAA Cc1cc(NCc2cccnc2N(C)CCc2ccccn2)nc2ccccc12 67514192 FXKHVMXFLFZVBT-UHFFFAOYSA-N 383.499 4.624 0 50 GJAA CCCc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ccn1 67840470 UJYWZBJRRFPCPN-GOSISDBHSA-N 379.287 4.555 0 50 GJAA C[C@H]1CN(C(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2NC1=O 150763440 PWJRSBKELNVQRQ-HNNXBMFYSA-N 397.434 4.730 0 50 GJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 238936968 SQFALPKIUAOVMZ-ZMQVJYHMSA-N 394.359 4.851 0 50 GJAA Cc1c(NC(=S)NC(=O)c2cccs2)cccc1-c1nc2ccccc2o1 724633 WCWCVEIVZJIOEZ-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCc3ccc(F)cc3)c2c1 1068431 VIVFBQBGYSLLOD-UHFFFAOYSA-N 385.442 4.717 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(Cc2ccccc2)c1 2764164 PNQPJPVIFWUZFK-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA O=C([C@H]1CC12CCCC2)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 11937549 DRPYEVNHIDVYKC-HSZRJFAPSA-N 395.591 4.645 0 50 GJAA CC(C)N1CCC(N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1 20454235 QJNQAEIFGNPZTH-NRFANRHFSA-N 390.571 4.706 0 50 GJAA O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1 20494848 FQAQONQZGIHVEA-UHFFFAOYSA-N 397.828 4.709 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@@H](O)C1 72435757 ANCIKZFVHDNNIU-GOSISDBHSA-N 382.891 4.521 0 50 GJAA c1cc(CN2CCCCC2)cc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)c1 115178790 KZVCHRBFNKZRJF-QFIPXVFZSA-N 389.499 4.579 0 50 GJAA CC[C@H](c1cn2cccnc2n1)n1ccnc1-c1ccc(CC(F)(F)F)cc1 1857694525 QSOQNDRKFUXXSB-QGZVFWFLSA-N 385.393 4.697 0 50 GJAA C[C@H]1CSc2ccccc2[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 1875256630 KIHNLUBBPMQPEL-KSFYIVLOSA-N 389.524 4.907 0 50 GJAA O=C(CC[C@H]1CCc2ccccc21)N1CCC(c2nc3c(s2)CCC3)CC1 1875333825 MVWMAXIRGQMKQH-QGZVFWFLSA-N 380.557 4.848 0 50 GJAA CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc3c(c2)CCC[C@@H]3N)n1 2325822016 WTEVVELEVAZTHR-SFHVURJKSA-N 387.487 4.594 0 50 GJAA C[C@H](OC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)C(=O)c1ccccc1 2325827074 URVIFNPIIKZXGC-AWEZNQCLSA-N 388.398 4.797 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 634172 GTGKIJIHAWXNEN-UHFFFAOYSA-N 376.887 4.969 0 50 GJAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccccc1 855125 SQUBRDVTJIYWBG-OAQYLSRUSA-N 381.522 4.790 0 50 GJAA CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 1146530 AYNXKOQDOJEIAD-UHFFFAOYSA-N 376.847 4.889 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 1173560 KKTSMONTMWRTDY-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA Cc1cc(Cl)cc(C)c1Oc1c(F)c(N2CCOCC2)nc(F)c1Cl 1192333 YJHJYKWBMNKHPY-UHFFFAOYSA-N 389.229 4.912 0 50 GJAA Cc1cnccc1CN(C)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 12435490 PVWHIJDEBYBHEO-OAQYLSRUSA-N 394.902 4.930 0 50 GJAA CC(c1ccc(OC#N)cc1)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1 15440416 AWWJTNMLTCVUBS-UHFFFAOYSA-N 381.391 4.621 0 50 GJAA CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2cccs2)CC1 15867142 DDCQDCXJJBJUKO-ABHNRTSZSA-N 392.565 4.744 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 20600827 BGOFGHAHDYJVPF-IBGZPJMESA-N 391.515 4.782 0 50 GJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C)n(C(C)C)n3)cc12 20616304 HKXHDJXNLHOSAZ-UHFFFAOYSA-N 379.489 4.734 0 50 GJAA O=C(Nc1ccncc1)c1ccc([C@@H]2CCCN2C(=O)CC2=CCCCC2)s1 20909464 HOLAPSDWHGMASV-SFHVURJKSA-N 395.528 4.949 0 50 GJAA Fc1ccc(Oc2ncccc2CNCc2cccc3cnccc23)c(F)c1 20914457 BIIHPIFMNGPIRV-UHFFFAOYSA-N 377.394 4.990 0 50 GJAA O=C(c1ccc([C@H]2CCCNC2)cc1)N(Cc1ccncc1)C1CCCCC1 95362142 JSRLXUUPGUXWHY-QFIPXVFZSA-N 377.532 4.524 0 50 GJAA C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccc(F)cc1 96137931 XMAJBQBVKHYMKX-MRXNPFEDSA-N 383.467 4.725 0 50 GJAA Cn1ccc2cccc(NC(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c21 190051997 IHOQYSXSLKTDRQ-NRFANRHFSA-N 397.906 4.809 0 50 GJAA O=C1[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 239025545 BTIQDACSUXCHFU-FHXYLJRPSA-N 386.278 4.923 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 239274625 ALQWNGCYQQTPAT-OJJQZRKESA-N 393.486 4.925 0 50 GJAA Fc1cncc(-c2cnc(NCc3cc(Cl)ccc3OCC3CC3)nc2)c1 242001086 VCVMZRKDWFKCMQ-UHFFFAOYSA-N 384.842 4.732 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3ccc(C(C)C)nn3)c2)on1 299787182 TYCJKQYXPLNMMZ-HXUWFJFHSA-N 376.460 4.541 0 50 GJAA O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 329178895 NGALAWZHDJGWES-PXDATVDWSA-N 386.495 4.669 0 50 GJAA CC(=O)c1cccc(-c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1 426719999 RAYMOVPKDQYSJW-UHFFFAOYSA-N 378.516 4.595 0 50 GJAA O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@@H](C1)C2(F)F 2325751564 NMPMNFMALRCNHT-HTQZYQBOSA-N 387.160 4.714 0 50 GJAA O=C(CSc1nnc2sc3ccccc3n12)Nc1cccc2ccccc12 628707 RLDGUFDXRQIRFJ-UHFFFAOYSA-N 390.493 4.828 0 50 GJAA Cc1sc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c2c1C 956581 LLJGVJUCMZLZID-UHFFFAOYSA-N 397.544 4.960 0 50 GJAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 1120626 ZCIBNAGQBQYRCW-UHFFFAOYSA-N 377.240 4.705 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 1207723 GIZKTBBCWJYNOL-UHFFFAOYSA-N 394.814 4.871 0 50 GJAA Cc1cccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C)c1 1208803 PTGOQHOXBMAXHG-UHFFFAOYSA-N 384.479 4.967 0 50 GJAA C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799898 GJXGXRQWBBRFKZ-HZMBPMFUSA-N 385.357 4.724 0 50 GJAA COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 4659503 OMDCENKEQFEEOL-NTCAYCPXSA-N 384.435 4.579 0 50 GJAA O=C(NCc1nc2ccccc2o1)c1ccc2oc(CCc3ccccc3)nc2c1 11762732 ZQNMCONUOYTOHT-UHFFFAOYSA-N 397.434 4.684 0 50 GJAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c(C)c1C 12192334 GKEFBMRBXLTPPB-DEOSSOPVSA-N 386.499 4.664 0 50 GJAA O=C(CC[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1)NC1CC1 14966604 KVAYZWYYKXQVQH-HXUWFJFHSA-N 376.544 4.589 0 50 GJAA COc1cc(Cl)cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1OC 15073276 XCMTWAWLSYNABG-AWEZNQCLSA-N 385.895 4.702 0 50 GJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cn1 20602814 ANJAISYZODFACX-UHFFFAOYSA-N 383.402 4.559 0 50 GJAA CCCn1nccc1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71738440 XLGXWTBYKUSXHK-QGZVFWFLSA-N 393.453 4.797 0 50 GJAA COc1cccc(OC)c1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 158857375 ITOTYPXUYVWGGW-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 225416429 VUKRLHHGVGUXJL-IRXDYDNUSA-N 396.288 4.890 0 50 GJAA CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 230011405 CHKIYNDAMSPSOR-ABJHKEKUSA-N 386.586 4.935 0 50 GJAA CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1 252491629 LOTCJOGYDGPOIN-OAQYLSRUSA-N 391.515 4.515 0 50 GJAA Cn1cc(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 253395575 AMJVHJDOAWRDHN-JOCHJYFZSA-N 386.499 4.741 0 50 GJAA biogenic COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1cn(C)nc1C1CCCCC1)C2 296723164 CODKNOGOZVDFJC-UHFFFAOYSA-N 394.519 4.556 0 50 GJAA c1ccc(CC2CCN(Cc3cccc(OC[C@H]4CCCNC4)c3)CC2)cc1 299775862 KQKCXDRIAYSHMK-DEOSSOPVSA-N 378.560 4.520 0 50 GJAA CN(CCN1CCCC1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 426388599 WVGNHNMAMCGDFW-UHFFFAOYSA-N 376.422 4.540 0 50 GJAA Clc1ccc(-c2ccccn2)cc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 800115705 LEGILFWPHYCTEE-UHFFFAOYSA-N 387.830 4.919 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cnc(-c4ccccc4C)s3)C1)CC2 1704330555 FFGIKQNEHGBMSV-QHCPKHFHSA-N 390.556 4.697 0 50 GJAA C[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1cnc(-c2cnccn2)s1 1875256973 DODMSHVPURTOGU-KRWDZBQOSA-N 386.524 4.988 0 50 GJAA O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(F)c1 708535 MVFOPJHVUSQINP-UHFFFAOYSA-N 377.238 4.964 0 50 GJAA NC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCCCC2 2752671 DMDRREBTSRCQBU-UHFFFAOYSA-N 377.897 4.803 0 50 GJAA CC(C)CC(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 3130782 JGNMTQQNHMWLNK-GFCCVEGCSA-N 381.712 4.779 0 50 GJAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 4853658 DDACRHHJILWIBA-KMRPREKFSA-N 387.608 4.779 0 50 GJAA Brc1ccc(OCc2ccccc2)c(CNCc2cccnc2)c1 6702107 YUFJAGZOWVEBCI-UHFFFAOYSA-N 383.289 4.713 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4nccs4)csc3n2)cc1 11818213 DVCPSHVDFOCCBY-LBPRGKRZSA-N 382.514 4.573 0 50 GJAA COc1ccc(CCN(Cc2ccc(Cl)s2)CC2CCN(C)CC2)cc1 11878584 DYVGOUBKLCJRMF-UHFFFAOYSA-N 392.996 4.797 0 50 GJAA COc1cccc(-c2nc3ccc(C(=O)N(C)CC[C@@H]4CCCCO4)cc3o2)c1 12572273 PQSVYQUXVKNHRT-SFHVURJKSA-N 394.471 4.535 0 50 GJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(CN3CCCC3)s2)C1 12757479 URMDCYLPWPBBSD-KRWDZBQOSA-N 388.602 4.809 0 50 GJAA O=c1[nH]nc(CNCc2ccc(Sc3ccc(Cl)cc3)o2)c2ccccc12 63857735 KBDUGDLDWDONAU-UHFFFAOYSA-N 397.887 4.611 0 50 GJAA CC(C)c1nc(CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)cs1 67975847 NPHRAPAPYNWZQV-UHFFFAOYSA-N 377.517 4.608 0 50 GJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)C[C@@H]2CCCCO2)o1 72454053 LXRVNUQSIQNMLW-FQEVSTJZSA-N 383.467 4.581 0 50 GJAA CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1 97307411 RWKWKUHMTVMFAC-LJQANCHMSA-N 387.524 4.547 0 50 GJAA COCc1cccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1 109918106 JOENSPUPRDJKHX-CSKARUKUSA-N 378.403 4.811 0 50 GJAA COc1cc(F)c([C@H](C)NC(=O)c2ccccc2SC(F)F)cc1OC 114287676 GMMXGTRDUUJVKM-JTQLQIEISA-N 385.407 4.649 0 50 GJAA Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC[C@H](c2ccn[nH]2)C1 117461219 MOENRCXQHOHBFC-IBGZPJMESA-N 390.487 4.709 0 50 GJAA C[S@@](=O)c1ccc(NC(=O)CCCc2csc3ccccc23)cc1F 119241453 AAWYALLJXFTVPE-VWLOTQADSA-N 375.490 4.739 0 50 GJAA COc1ccc(-c2csc(C3=C(O)CN(C[C@H]4C[C@H]5C=C[C@H]4C5)C3=N)n2)cc1 252518174 AFKGFVAZNMMODE-CWRNSKLLSA-N 393.512 4.593 0 50 GJAA COc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc12 328597049 CVIJRROHERGFHR-IBGZPJMESA-N 393.874 4.903 0 50 GJAA Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2N2CCCCC2)sc1C 1775975956 HJGDVVRTSAYLNS-UHFFFAOYSA-N 382.489 4.658 0 50 GJAA Cc1nn(C)c(NC(=O)Nc2ccccc2OCC2CC2)c1-c1ccccc1 1875303919 SEMXXYVAXBMOJL-UHFFFAOYSA-N 376.460 4.828 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@]1(C(=O)O)C(c1ccccc1)c1ccccc1 621864 RUBYLACKGJPIPO-HSZRJFAPSA-N 381.472 4.673 0 50 GJAA CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 638823 LUROHRKKPMHEIU-UHFFFAOYSA-N 397.906 4.935 0 50 GJAA CCc1ccc(-c2nc(NC(=S)NC(=O)c3ccccc3)sc2C)cc1 653890 SZZLYCCZFXRYDZ-UHFFFAOYSA-N 381.526 4.808 0 50 GJAA Cc1ccc(NC(=O)CSCC(=O)n2c3c(c4ccccc42)CCCC3)cc1 716970 JWRVGAJBDIZAQC-UHFFFAOYSA-N 392.524 4.841 0 50 GJAA Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 942630 IFTLEWHFZHOAPP-UHFFFAOYSA-N 388.183 4.794 0 50 GJAA O=C(Nc1ccc(-c2nnc(S)n2-c2ccccc2)cc1)c1cccs1 1061704 JNTXFODNNPUOKJ-UHFFFAOYSA-N 378.482 4.537 0 50 GJAA NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 1167588 JECPQEQQKWKZBZ-UHFFFAOYSA-N 385.492 4.784 0 50 GJAA CC(=O)c1c(NCCc2ccccc2)nc(=S)n(Cc2ccccc2)c1C 1181760 WQJMUXWRJYBLJU-UHFFFAOYSA-N 377.513 4.827 0 50 GJAA Cc1ccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)c(C)c1 2840613 QPCNVYRTLGWETB-UHFFFAOYSA-N 397.478 4.709 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 4682359 VJNBCVAYLCUFNS-UHFFFAOYSA-N 375.852 4.948 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2O)on1 4881201 DLLBWDLADOAAKB-UHFFFAOYSA-N 382.725 4.972 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@H](C)c3nc(C)sc3C)c(C)o2)cc1 12050206 SDAKHGQXOGSGQI-GFCCVEGCSA-N 399.516 4.703 0 50 GJAA CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12150635 VKEOCIHFBJPSSE-ABAIWWIYSA-N 391.920 4.737 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 20905922 NGLBSWQDFOVDGS-OAQYLSRUSA-N 397.526 4.950 0 50 GJAA CC1(C)CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@]1(C)O 91770418 FOKZZPCMPDBMIU-JOCHJYFZSA-N 382.891 4.721 0 50 GJAA Oc1cccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)c1 95356409 WPBHDBIFSWHHSX-JOCHJYFZSA-N 376.544 4.626 0 50 GJAA CCSCCN(C(=O)Nc1ccc(F)c(NC(C)=O)c1)C1CCCCC1 97694585 LQILJWZGTKYSBK-UHFFFAOYSA-N 381.517 4.704 0 50 GJAA O=C1CCCc2cc(NCc3csc(COc4ccccc4)n3)ccc2N1 130511387 KMLVXAHVXOYPTH-UHFFFAOYSA-N 379.485 4.609 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@H]4C[C@H]4c4cccc(F)c4)CC3)oc12 170602649 INDROQYSDGIJCZ-OALUTQOASA-N 378.447 4.785 0 50 GJAA Cc1ccc(-c2ocnc2C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 173529572 KNUMGSYEVSKUHU-SFHVURJKSA-N 382.847 4.517 0 50 GJAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@@H](c1ccccc1)c1ccco1 220059767 VQTDICQQHMZMHE-FQEVSTJZSA-N 387.439 4.510 0 50 GJAA CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)cc1 252485313 GQZJMXFDDDZNJL-JOCHJYFZSA-N 391.515 4.854 0 50 GJAA CN(Cc1cccc(OCC[C@@H]2CCCCN2)c1)Cc1cccc2cccnc12 299758910 LOVXUDZZCRLQMX-QHCPKHFHSA-N 389.543 4.778 0 50 GJAA O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 426504001 NIZCWWQKUXUJRW-OAQYLSRUSA-N 378.497 4.632 0 50 GJAA Cc1ccccc1[C@H](O)CNC(=O)c1cc(-c2cccs2)nc2ccccc12 732833280 PVFIEMZMXCBBHC-OAQYLSRUSA-N 388.492 4.735 0 50 GJAA Cc1nc(C2CCN(C(=O)c3ccc(F)cc3OC(F)F)CC2)sc1C 888092732 VGXGNXMHSDXULW-UHFFFAOYSA-N 384.423 4.520 0 50 GJAA CCCOc1ccc2[nH]cc(CC(=O)Nc3cccc(-c4ncco4)c3)c2c1 1875337923 JHBBXTDHMHBURO-UHFFFAOYSA-N 375.428 4.793 0 50 GJAA c1ccc([C@H](OCC2CCCC2)c2nc(Cc3cnc(C4CC4)o3)no2)cc1 2325789723 JEJUMZYUECZNAQ-FQEVSTJZSA-N 379.460 4.822 0 50 GJAA O=C(N[C@H](c1ccccc1)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325841913 JVELDRVLEURHSK-GOSISDBHSA-N 379.435 4.526 0 50 GJAA Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 628649 GEZXPXPJFZKILI-UHFFFAOYSA-N 376.485 4.539 0 50 GJAA CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c3cc2C1 661962 KIHRNLOBSDNEAM-CYBMUJFWSA-N 393.512 4.848 0 50 GJAA COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 954356 JFOOCUFSFLQKQH-UHFFFAOYSA-N 390.464 4.794 0 50 GJAA aggregator COc1ccc(Cc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1 1127795 KCMHOIYHOUZRFY-UHFFFAOYSA-N 394.283 4.697 0 50 GJAA CCOc1ccc(Br)cc1C(=O)N[C@@H](C)CCc1ccccc1 1130949 WUEKTNFHHJSSMR-AWEZNQCLSA-N 376.294 4.599 0 50 GJAA Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc4cc(Cl)ccc4oc3=O)c2c1 1424354 FMEQUMGEPIDQJD-UHFFFAOYSA-N 394.858 4.517 0 50 GJAA CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 3831042 SLVMESMUVMCQIY-YHAMSUFESA-N 386.586 4.901 0 50 GJAA biogenic,world O=C1OCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ccccc13)N2 4134367 VYIKVKUSDVMANC-GOSISDBHSA-N 392.252 4.971 0 50 GJAA Fc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 9187099 OEKQMTJZPCMOBR-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)c2)c1 12022071 UHVSRWPTRCLEST-HXUWFJFHSA-N 388.467 4.746 0 50 GJAA Fc1ccc(-n2cc(CNC[C@@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 12372844 VQSYRNOUSCWVHM-SFHVURJKSA-N 385.870 4.600 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 12579604 ICTXIEVYZYLXAY-QFIPXVFZSA-N 379.500 4.771 0 50 GJAA O=C(Nc1ccncc1)c1ccc([C@@H]2CCCN2C(=O)CC2CCCC2)s1 20999109 KGNNPQCQFRYKPT-KRWDZBQOSA-N 383.517 4.639 0 50 GJAA Cc1ccc(-n2cccn2)c(CN2CCC[C@H](C(=O)c3sccc3C)C2)c1 55254520 XIVYSLHGKXUJTD-SFHVURJKSA-N 379.529 4.646 0 50 GJAA CN(C(=O)Nc1c(F)cccc1Oc1ccccc1)[C@@H]1CCCc2c1cnn2C 120745350 RHJDBRIQQZAUTE-GOSISDBHSA-N 394.450 4.893 0 50 GJAA CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCc2ccc(Cl)cc2C1 125310590 XAZUDILZTDOTAP-UHFFFAOYSA-N 395.894 4.770 0 50 GJAA C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC[C@@H]1c1ccccc1 152906364 ARTHSWBIVYTCEQ-UTKZUKDTSA-N 388.471 4.926 0 50 GJAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 155626452 XZPKOJVGPDIBDN-CQSZACIVSA-N 399.947 4.905 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 230127001 HRYZQZNFKTYSSX-HYBUGGRVSA-N 392.547 4.638 0 50 GJAA C[C@H](CN1CCCC1)NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1 299788113 QBRJALJERWMXPU-OAHLLOKOSA-N 376.422 4.587 0 50 GJAA Cc1c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)[nH]c2c1C(=O)CCC2 329412521 YIYIULLXAWEOPW-IBGZPJMESA-N 375.472 4.691 0 50 GJAA O=C1CC[C@H](C(=O)N(c2ccc(F)c(Cl)c2)c2nccs2)n2cccc21 448344136 DTCOYWIWBBDGAD-OAHLLOKOSA-N 389.839 4.620 0 50 GJAA Cc1ccccc1[C@@]1(CC(=O)Nc2c(C)cc(O)nc2C)CCOC(C)(C)C1 2100483632 CRLITZWONVCUET-HSZRJFAPSA-N 382.504 4.568 0 50 GJAA CC(C)(C)c1ccc(C2(NC(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1 2325704758 RIIBQWOIMUBNEY-UHFFFAOYSA-N 377.488 4.680 0 50 GJAA CC(C)C1CCC([C@](C)(O)CNC(=O)NCc2ccc3c(c2)CCCC3)CC1 2325841053 BIZVXBJMCJRHQT-MXJXRJBTSA-N 386.580 4.578 0 50 GJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 943673 LBMFDTVUOISRBM-UHFFFAOYSA-N 389.451 4.759 0 50 GJAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1Cl 1072113 LXVJIUWAAGXCHK-LBPRGKRZSA-N 396.796 4.659 0 50 GJAA CCOc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 2750550 NDCVURRRPBSUHX-UHFFFAOYSA-N 383.451 4.626 0 50 GJAA CC(=O)Nc1ccc(OCCCCCCOc2ccc(NC(C)=O)cc2)cc1 4582885 VLVHTGWXXHSKGB-UHFFFAOYSA-N 384.476 4.622 0 50 GJAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)OCc3ccccc3)ccc12 4724983 UPWTXTRRXUYQRX-UHFFFAOYSA-N 380.440 4.566 0 50 GJAA COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1C 5068576 IGFTXPXHZPBPOQ-UHFFFAOYSA-N 395.524 4.703 0 50 GJAA CCOc1ccccc1-c1nc(CN(CC2CCC2)C[C@@H]2CCCO2)c(C)o1 11997418 LLTKNXXQDZBPHH-IBGZPJMESA-N 384.520 4.830 0 50 GJAA Clc1ccccc1-c1nnc2sc(-c3cc(-c4ccccc4)on3)nn12 12323361 HBQCVNWEOYJOTN-UHFFFAOYSA-N 379.832 4.828 0 50 GJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12431352 UDRBJHTXOHMTGL-GOSISDBHSA-N 377.415 4.821 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccc(C)cc1)O2 14878825 PLBHSPBYJCNBFI-NRFANRHFSA-N 385.463 4.598 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27377353 SGVFWNDOEZJVPK-KRWDZBQOSA-N 387.439 4.811 0 50 GJAA Cc1nc2cc(NC(=O)N(Cc3cnn(C)c3)C3CCCCC3)ccc2s1 95504136 BPHSUXMKXCLKKE-UHFFFAOYSA-N 383.521 4.705 0 50 GJAA CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c1C 170620402 WQSMLQIPVUUEHX-UHFFFAOYSA-N 387.483 4.649 0 50 GJAA C[C@H]1CN(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)CCO1 170633503 NGJUHHPDQAJCGB-INIZCTEOSA-N 384.907 4.626 0 50 GJAA CSCC[C@@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc2ccccc2[nH]1 223217040 REDPMVREHAMLJW-QGZVFWFLSA-N 396.541 4.705 0 50 GJAA Cn1nc2ccccc2c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 475496757 PLBWEZYSYYSYPB-FQEVSTJZSA-N 394.478 4.617 0 50 GJAA Cc1ccc(-c2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)n[nH]2)s1 825199708 BZPBLQWKJXBINE-UHFFFAOYSA-N 380.517 4.817 0 50 GJAA COc1ccc(NC2(C(=O)N(C)[C@H](C)c3cccc(OC)c3)CCCC2)cc1 1506411723 UMMLZKLOQPTMFF-QGZVFWFLSA-N 382.504 4.648 0 50 GJAA O=C(NCCc1cccc2cc[nH]c12)c1cc(-c2cccnc2)nc2ccccc12 1875261321 OQCNEMIEOYOUJS-UHFFFAOYSA-N 392.462 4.751 0 50 GJAA CC(C)(C)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 628143 BSTAZXBMGGWSDE-UHFFFAOYSA-N 396.541 4.972 0 50 GJAA COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1OC(C)C 672715 RABJXUWAIWOTKW-DEDYPNTBSA-N 387.435 4.980 0 50 GJAA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccs1 1065416 YFLGDBKFXXZCAR-UHFFFAOYSA-N 379.938 4.519 0 50 GJAA aggregator COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccccc2)cc1OC 1115480 UWYMVLBZHJWVGD-SFHVURJKSA-N 392.480 4.757 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 1207128 QHIMJGACAIYWMF-UHFFFAOYSA-N 394.814 4.871 0 50 GJAA Cc1cc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)ccc1Cl 9334113 JQGLAPBQAYVHRC-UHFFFAOYSA-N 392.843 4.862 0 50 GJAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(Cc2cnn(C(C)C)c2)C1 12754625 CGJMDQWDEZNYFH-ZXXUSRDYSA-N 395.547 4.713 0 50 GJAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)cc1OC 19732401 SHIKDDIGPMZTFR-FQEVSTJZSA-N 391.515 4.782 0 50 GJAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)c2ccoc2C)c1 55568785 JXOJDKUVUKBSKV-MRXNPFEDSA-N 391.471 4.676 0 50 GJAA Cc1cc(CN2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)ccc1O 67946348 DFNUYBHNVCNHID-UHFFFAOYSA-N 388.389 4.933 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)O[C@@H]1CCCC[C@@H]21 245226406 VQIZEMZOHPZSDU-OHOGDBNVSA-N 384.472 4.867 0 50 GJAA C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1cccs1 248125014 OJMORDKMELMKPD-HOCLYGCPSA-N 385.558 4.714 0 50 GJAA COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2 672724 IMBHSPNBCJMAOM-DLBZAZTESA-N 383.513 4.936 0 50 GJAA CCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(CC)ccc3o2)c1 1183430 FYQKSUGGLJAEHV-UHFFFAOYSA-N 387.892 4.934 0 50 GJAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=S)N1 1202283 MHJUSMCONGQPRU-QFIPXVFZSA-N 399.519 4.785 0 50 GJAA Cc1ccccc1Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21 2721511 AKBVTKAXNVIAGD-UHFFFAOYSA-N 389.524 4.817 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c2cccnc12 6182168 WOHRWSFBMRVYHH-UHFFFAOYSA-N 391.652 4.912 0 50 GJAA COc1ccc(CN(C)Cc2nc(-c3ccc(F)cc3F)oc2C)cc1OC 11879333 XGEBXQKDYNRHEL-UHFFFAOYSA-N 388.414 4.577 0 50 GJAA C=Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cc1 12191924 MGEGFUXKFIRVJX-QFIPXVFZSA-N 376.544 4.665 0 50 GJAA Cc1cc(Cl)c2oc(C(=O)N3CCC[C@@H](OCc4cccnc4)C3)c(C)c2c1 12449414 SUXAYYRCIOCWPR-QGZVFWFLSA-N 398.890 4.919 0 50 GJAA Fc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cc1F 12713639 WBSWKRWKBYZAIO-OAQYLSRUSA-N 392.534 4.600 0 50 GJAA CCn1cnnc1CN(C)Cc1cc2cccc(C)c2nc1-c1cccs1 72407913 KTTCEGSQBOZTSR-UHFFFAOYSA-N 377.517 4.515 0 50 GJAA Cc1cc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)c2ccc(F)cc2n1 82161965 IXMWYBCWGCXPRB-QFIPXVFZSA-N 389.405 4.736 0 50 GJAA COc1ccccc1-c1nc(C(=O)N2CCN(C)c3ccc(Cl)cc32)cs1 170649028 CJIDYWLQLPDZKQ-UHFFFAOYSA-N 399.903 4.569 0 50 GJAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 225538366 LFRDFLHTNMELGG-UHFFFAOYSA-N 398.355 4.945 0 50 GJAA COc1ccc(-c2csc(C3=C(O)CN(C[C@@H]4C[C@H]5C=C[C@H]4C5)C3=N)n2)cc1 252518173 AFKGFVAZNMMODE-BPUTZDHNSA-N 393.512 4.593 0 50 GJAA CCOc1ccc(C[C@H](C)C(=O)Nc2n[nH]c(C)c2-c2ccc(C)cc2)cc1 1457423516 AFSARFLUBIUUBM-INIZCTEOSA-N 377.488 4.910 0 50 GJAA CCOc1ccc(C)cc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 1776004995 WNNWTCZYQZMCHR-UHFFFAOYSA-N 398.480 4.740 0 50 GJAA CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 1776111576 GGHAXCWUHGQXRN-FQEVSTJZSA-N 399.487 4.711 0 50 GJAA CC(C)c1nc(O)ccc1C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 2356137591 QQMNUXXJLZEHNF-SFHVURJKSA-N 380.488 4.867 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c12 1025732 YCSCXNDBBHJRCR-UHFFFAOYSA-N 395.406 4.604 0 50 GJAA CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 2854104 SVDBKMPQXCOTSS-UHFFFAOYSA-N 395.286 4.541 0 50 GJAA CC(C)[C@H]1C[C@](CCNCc2ccc3c(c2)OCO3)(c2ccccc2)CCO1 4037979 CNIGJORLWLOETQ-DNQXCXABSA-N 381.516 4.668 0 50 GJAA biogenic Cc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3C)n2)cc1 6810767 SWEYBRBBEFJYTM-UHFFFAOYSA-N 397.891 4.786 0 50 GJAA Cc1ccc2nccc(C(=O)N3CCC[C@H](Nc4ccc(F)c(F)c4)C3)c2c1 14970888 IUKBQGIALVJWFH-INIZCTEOSA-N 381.426 4.538 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)Cc1cccs1 15063976 XAMZHROOJYFNKH-SFHVURJKSA-N 379.529 4.615 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@@H](C)C[C@@H](C)C1 17079378 ZSPYWLCKTUGBGZ-OKILXGFUSA-N 388.558 4.876 0 50 GJAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2nc(C(C)C)cs2)C1 20513612 VSWBCVLNKXGGDX-CQSZACIVSA-N 376.497 4.509 0 50 GJAA C[C@@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 55041950 KNTBVBLCKMVMES-SFHVURJKSA-N 399.498 4.862 0 50 GJAA COc1ccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)c(Cl)c1 101358022 WGDTXEHVFHTMDR-QFIPXVFZSA-N 392.886 4.874 0 50 GJAA CN(C(=O)C1CCCCCC1)[C@H]1CCCN(C(=O)C2CCCCCC2)CC1 161663708 SUCDDXVIOFQGIZ-NRFANRHFSA-N 376.585 4.767 0 50 GJAA C[C@H]1Cc2c(sc(NC(=O)c3ccco3)c2C(=O)OC(C)(C)C)[C@H](C)O1 170607588 GJBPQJYMMVVBQJ-QWRGUYRKSA-N 377.462 4.571 0 50 GJAA COc1nc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc2ccccc12 170626953 IXJGCHDWXIFUBG-NSHDSACASA-N 381.819 4.691 0 50 GJAA Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229678971 PERMOIRFWGSMSH-FXCLAUTBSA-N 380.492 4.914 0 50 GJAA Cc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)cc1C 263619073 WTCDCWXYQVLESC-HXUWFJFHSA-N 390.418 4.628 0 50 GJAA O=C(O)CC1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1857783315 AUZMPFYTLQOIMX-UHFFFAOYSA-N 393.483 4.902 0 50 GJAA CCCCCc1sc(NC(=O)c2ccc3c(n2)CC[C@H](C)C3)c(C(N)=O)c1C 1875354833 QGCJEIGXPXPOOS-ZDUSSCGKSA-N 399.560 4.660 0 50 GJAA O=C(CCCOc1cccc(Br)c1)NCc1ccc2ccoc2c1 2325735863 ZDTCOGSPHNKYAL-UHFFFAOYSA-N 388.261 4.671 0 50 GJAA Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1Cl 1110202 WFMIQBCPGOIYAJ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)/C=C/c1ccccc1 1179893 HYMMDBPGLKUSKQ-CMDGGOBGSA-N 389.318 4.592 0 50 GJAA COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 1188546 YBZXFMREPUOQBI-UHFFFAOYSA-N 398.509 4.812 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1C 1215119 NRVQLAPSHBJBNQ-ZCOIRKDISA-N 393.486 4.874 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1225930 KHPICQHPOKRSSW-ZCOIRKDISA-N 393.486 4.874 0 50 GJAA biogenic CC(C)(C)c1cc(S(=O)(=O)CCc2ccccn2)cc(C(C)(C)C)c1F 1228054 PFDREXSQQLKKJB-UHFFFAOYSA-N 377.525 4.832 0 50 GJAA Cc1ccc(OCCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)c1 1914167 WHZLACKYZFMTHG-UHFFFAOYSA-N 392.451 4.663 0 50 GJAA O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)cc1Cl 2755861 UMORCVHJKYAGEC-UHFFFAOYSA-N 390.160 4.546 0 50 GJAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)c1 2790494 CACIYJUTHOEMOU-CYBMUJFWSA-N 387.501 4.699 0 50 GJAA O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)c2c(c3ccccc3[nH]c2=O)O1 4626182 UNZNISKXWBWGPY-FQEVSTJZSA-N 397.430 4.548 0 50 GJAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5756618 SPUOPTCIVFNKFX-NEPJUHHUSA-N 383.288 4.554 0 50 GJAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2C)C1 11814711 KXAMICYJTCLYJB-XMMPIXPASA-N 394.515 4.723 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3cc(C)[nH]n3)c(-c3ccccc3)n2)c1 11936070 XMVUIRZJOBUPAG-UHFFFAOYSA-N 385.515 4.820 0 50 GJAA Cc1cc(CN(C)C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)on1 12466458 XRLYKJHVSBXPMH-UHFFFAOYSA-N 389.455 4.572 0 50 GJAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc3cnccc23)C1 12718831 AGICHMRLBCTVTQ-GOSISDBHSA-N 394.902 4.992 0 50 GJAA Fc1cccc(F)c1C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 43804485 CLUKUTIMRKWLKG-SECBINFHSA-N 391.727 4.637 0 50 GJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cccc(O)c1 67817193 SZFLLQIUXBUNNL-UHFFFAOYSA-N 388.345 4.528 0 50 GJAA O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@H]1c1nccs1 175384799 OGEZPBBKWYDKOC-AWEZNQCLSA-N 391.345 4.507 0 50 GJAA O=C(CCCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 263617490 NZYQTCUKDMFUBE-LJQANCHMSA-N 379.435 4.562 0 50 GJAA CC(C)c1nnc([C@@H]2CN(C(=O)Nc3cccc(-c4cccs4)c3)CCO2)o1 275227375 BCPQPOYQNSOBCS-INIZCTEOSA-N 398.488 4.527 0 50 GJAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)C3=CCCCC3)csc2C1 426574684 HANIHNXBLNRGTA-CQSZACIVSA-N 399.560 4.530 0 50 GJAA COc1cccc(C)c1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 432575387 STNCKBSASLEKDH-UHFFFAOYSA-N 378.476 4.531 0 50 GJAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(F)cc2Cl)c1 1506430317 ANQKBPRGBNVWDI-LJQANCHMSA-N 375.871 4.538 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc(C)c1-c1ccccc1 936523 WYPAQFJACPFPMB-UHFFFAOYSA-N 381.453 4.858 0 50 GJAA Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)Nc3ccccc3C)cc2)c1 952114 JLCVUFNASFDEIY-UHFFFAOYSA-N 388.467 4.882 0 50 GJAA O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1 998815 KSWVXPGWBKDBPY-UHFFFAOYSA-N 391.433 4.860 0 50 GJAA O=C(Cc1ccccc1)N1CCC[C@@H](c2ncncc2-c2ccccc2Cl)C1 11787592 UPXUDHQLVWWDHR-GOSISDBHSA-N 391.902 4.746 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC(=O)N(Cc3cccc(Cl)c3)CC2)cc1 12190859 SIGIMROCORSKHS-UHFFFAOYSA-N 398.934 4.512 0 50 GJAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12612000 FAVIAMHFIKAJLU-NRFANRHFSA-N 397.563 4.963 0 50 GJAA COc1cccc(N2CCN(C(=S)Nc3cccc(Cl)c3Cl)CC2)c1 17080961 YNNFHIUCGRJSHR-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA CC(C)CO[C@H](C)c1noc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 225428845 YAQOACOIMOMLOP-SNVBAGLBSA-N 382.342 4.539 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)cc1OC 299759968 RVDYUYMFQARBNH-GOSISDBHSA-N 395.478 4.613 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3cccc(O)c3)cccc2c1=O 918334331 NDCPYMMUZZWPSF-UHFFFAOYSA-N 399.446 4.746 0 50 GJAA CO[C@H](CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1312093658 RPRCSDKAWJAGGN-QZTJIDSGSA-N 379.287 4.838 0 50 GJAA COc1ccc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1 633486 CRAGQLBFGWDXLQ-UHFFFAOYSA-N 392.455 4.826 0 50 GJAA COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(F)cc1 685845 DRYPSJXGVDTXHB-UHFFFAOYSA-N 399.443 4.910 0 50 GJAA COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(Br)c1O 752308 QZMIRXCJDCZRHH-UHFFFAOYSA-N 390.321 4.618 0 50 GJAA COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl 813644 RSXKSXZORCZCRG-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 844284 JBRFPOUVPQSPKR-OAQYLSRUSA-N 392.455 4.593 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1 1015534 FZWIRCCRRKSIQA-DQBMGFJSSA-N 385.463 4.940 0 50 GJAA Clc1ccccc1[C@@H]1C[C@H](c2cccc(Br)c2)n2ncnc2N1 1129359 OFJYLVQCNQKRJP-JKSUJKDBSA-N 389.684 4.840 0 50 GJAA COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 1133271 BVJHBRTURNPISG-UHFFFAOYSA-N 383.473 4.599 0 50 GJAA O=S(=O)(c1ccccc1)c1nc(N2CCCc3ccccc32)sc1Cl 1159939 MWDPBHKACJNKAO-UHFFFAOYSA-N 390.917 4.714 0 50 GJAA Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1OC(=O)c1cccs1 1445937 PDFKCGJLLIGXED-UHFFFAOYSA-N 398.324 4.896 0 50 GJAA Cc1ccn2c(C(=O)CSc3ccc(Br)cc3)c(C)nc2c1 4003148 GALSPWHTAVPWJW-UHFFFAOYSA-N 375.291 4.689 0 50 GJAA Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3cccnc3)c2c1 5048405 VDAQMFVLBMTARI-UHFFFAOYSA-N 383.407 4.586 0 50 GJAA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccccc2OC2CCCC2)nc1 15072029 NJYAENTWYGNIBC-NRFANRHFSA-N 388.515 4.756 0 50 GJAA Cc1c(C(=O)NC(C)C)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 20256820 INHRVFVAASFWOE-INIZCTEOSA-N 380.517 4.627 0 50 GJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1 33270636 QSZKWJPXYRORNG-CQSZACIVSA-N 378.270 4.677 0 50 GJAA CCCc1c(OC[C@@H](O)CSc2ccc(Cl)cc2)ccc(C(C)=O)c1O 45068813 TWANLMMFEGTWCN-OAHLLOKOSA-N 394.920 4.733 0 50 GJAA O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)NC1CCCCC1 55551729 HCPZYTBWQCFSGX-UHFFFAOYSA-N 395.551 4.639 0 50 GJAA aggregator O=C(Nc1ccc(-c2ncco2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 156808820 LOXSBYTYZPQCCC-UHFFFAOYSA-N 398.344 4.798 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)C4N=N4)CC[C@H]32)C1 253612134 AEBXALXJAASRTA-DXLZHMCGSA-N 384.520 4.858 0 50 GJAA COc1cccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc12 328597050 CVIJRROHERGFHR-LJQANCHMSA-N 393.874 4.903 0 50 GJAA COc1ccc([C@H]2CCN(C(=O)c3ccsc3-n3c(C)ccc3C)C2)cc1 499529883 KIZAEOKBUJJKSO-SFHVURJKSA-N 380.513 4.794 0 50 GJAA COc1ccc(Cc2noc(C3(Cc4ccc(Cl)cc4)CC3)n2)cc1OC 904480241 APFKMHOHDUCROD-UHFFFAOYSA-N 384.863 4.605 0 50 GJAA CNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@H](C(C)(C)C)C2 643885 KPBGMDZLXSCLHA-CQSZACIVSA-N 384.545 4.819 0 50 GJAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c(C)c1 1145341 NJNWFUKCUUFPQA-UHFFFAOYSA-N 394.544 4.949 0 50 GJAA COc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 1211359 XTZMONBDMFFEQL-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 2310921 PQCFWICZDBHTJQ-UHFFFAOYSA-N 391.254 4.895 0 50 GJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)c(C)c1 2852876 GPNPBQMOKJVUKX-UHFFFAOYSA-N 381.501 4.714 0 50 GJAA O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3109633 VGXCCFFIBVLTGN-AWEZNQCLSA-N 378.086 4.878 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 3517105 AIPPXLBYUXTGHY-UHFFFAOYSA-N 377.396 4.864 0 50 GJAA biogenic CC(C)CN(CC(C)C)C(=O)c1cccc(C(=O)N(CC(C)C)CC(C)C)n1 5632861 FYCOXABEMDICGJ-UHFFFAOYSA-N 389.584 4.590 0 50 GJAA Cc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)c(Cl)c1 8588511 IEHSGTWWHGBQIT-UHFFFAOYSA-N 393.874 4.635 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2ccsc2)cc1 12029027 OAXKYOZGEPOZTG-LJQANCHMSA-N 379.529 4.615 0 50 GJAA O=C(CSc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12449027 RXFGTKLHEFTBHO-DEOSSOPVSA-N 399.519 4.829 0 50 GJAA Fc1ccc([C@H]2CCCCN2Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 19219719 HSWZTMNIKWDZGP-LJQANCHMSA-N 379.435 4.672 0 50 GJAA COc1ccc(F)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1 20138186 WUCFNSJDWKSVDI-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA Fc1ccc(-n2ncc3c(C(F)F)cc(-c4ccc5c(c4)OCO5)nc32)cc1 20603130 TUOQHYCWQVJODQ-UHFFFAOYSA-N 383.329 4.893 0 50 GJAA Cc1ccc(NC(=O)CCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)c(C)c1 67446849 QJFIDKQNZTXGTP-UHFFFAOYSA-N 385.471 4.586 0 50 GJAA Cc1nc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1 170647331 OBBLOZJUYNWCDU-KRWDZBQOSA-N 393.874 4.988 0 50 GJAA COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 216139287 DZKNTBXSTVCOGQ-UGKGYDQZSA-N 391.858 4.986 0 50 GJAA Cn1cc(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 253395576 AMJVHJDOAWRDHN-QFIPXVFZSA-N 386.499 4.741 0 50 GJAA biogenic Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 263619632 ZRPZENBEGPPMHP-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA CSc1ccc(-c2csc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1 328600065 VKKVAGNYLTWSHK-INIZCTEOSA-N 392.546 4.840 0 50 GJAA Cc1ccc(F)cc1CNC(=O)c1oc2cc(Br)ccc2c1C 334163196 WJKCEOQFQIUDGI-UHFFFAOYSA-N 376.225 4.881 0 50 GJAA C[C@@H]1CC2(CCOCC2)CN1C(=O)c1cc(-c2ccccc2)nc2ccccc12 843719471 BNBPLBJZPUQHEA-GOSISDBHSA-N 386.495 4.933 0 50 GJAA COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 1177511 IPVGKLGXVNVFSI-UHFFFAOYSA-N 386.403 4.826 0 50 GJAA biogenic COc1ccc(-[n+]2c(-c3ccc(OC(F)F)cc3)cn3c2CCCCC3)cc1 2387584 AEBILGCMHKRRHF-UHFFFAOYSA-N 385.434 4.768 0 50 GJAA CSc1ncc(Cl)c(C(c2ccccc2)(c2ccccc2)n2ccnc2)n1 5297947 NLEJMMOFLMHUIS-UHFFFAOYSA-N 392.915 4.889 0 50 GJAA CCCCn1c(S)nnc1-c1cc(Br)c(Br)s1 7262098 OIWOYTIZEMTXCD-UHFFFAOYSA-N 397.161 4.620 0 50 GJAA CC(C)Cc1cc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n[nH]1 12432343 ZIWALCUCFCYVDI-INIZCTEOSA-N 393.453 4.722 0 50 GJAA CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccccc3Cl)no2)c1 12707972 UCHHPPWGVULWJZ-ZDUSSCGKSA-N 398.846 4.601 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCOc3c(O)cc(-c4cccnc4)cc3C2)o1 12726643 DVQPZCCFOIOIHJ-INIZCTEOSA-N 378.472 4.744 0 50 GJAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 13331251 YAPKBJZLEGBPOM-UHFFFAOYSA-N 396.510 4.778 0 50 GJAA CCOc1ccc(C(=O)NCc2csc(-c3cccc(C)c3)n2)cc1OCC 17081078 BCNWXYYEMACVTI-UHFFFAOYSA-N 396.512 4.846 0 50 GJAA CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2OC)Cc2ccc(Cl)cc2O1 55042405 QHFPOSFPXFVCQN-QGZVFWFLSA-N 391.895 4.539 0 50 GJAA Cc1nc(-c2cccc(N3CCC(N[C@@H](C)Cc4cccnc4)CC3)c2)cs1 55183248 NBMYRHYHRDDRSL-KRWDZBQOSA-N 392.572 4.703 0 50 GJAA Cc1cccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)c1 55325861 VHDVGURKZJSQNA-UHFFFAOYSA-N 381.907 4.934 0 50 GJAA Cc1ccc2nc(-c3cnc(C4CC4)nc3)cc(C(=O)N3CCCCCC3)c2c1 63847145 ODKZLOTYEZAJGW-UHFFFAOYSA-N 386.499 4.894 0 50 GJAA COc1ncccc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67727323 UPUUPCWEMLVTJL-UHFFFAOYSA-N 396.874 4.511 0 50 GJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([S@](C)=O)c(F)c2)o1 170650609 KJLGXRCRAVAVHR-DXPJPUQTSA-N 378.469 4.614 0 50 GJAA O=C(Nc1ccc(Cl)c2ccncc12)c1c(C(F)F)nc2n1CCCC2 867896099 HIXIDBZXLYUDEV-UHFFFAOYSA-N 376.794 4.611 0 50 GJAA CCCCc1oc2ccccc2c1C(=O)N(C)C1CCN(c2ccncc2)CC1 2325708715 WZTCTFFURANOGI-UHFFFAOYSA-N 391.515 4.911 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1OC 688715 ZVAWENWXTHPNKN-MRXNPFEDSA-N 390.483 4.934 0 50 GJAA CC(=O)Nc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 924091 LSTQCMQSBHWXKZ-IBGZPJMESA-N 388.467 4.501 0 50 GJAA O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 990828 PQBPNMUXWHRSQN-QFIPXVFZSA-N 384.387 4.574 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C(C)(C)C)C2 995173 YKJJGJIVGZADAN-LBPRGKRZSA-N 375.490 4.839 0 50 GJAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 1110978 OBFOSCRLCWQLIB-UHFFFAOYSA-N 394.544 4.743 0 50 GJAA Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)oc2c1 1190563 MCDPFNAWZRPJJB-UHFFFAOYSA-N 377.425 4.523 0 50 GJAA CCc1cc(I)ccc1NC(=O)Cc1ccc(Cl)cc1 1267229 DECJGHQICLDFKI-UHFFFAOYSA-N 399.659 4.688 0 50 GJAA CCCc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(=O)OC)cc1 2762381 CBMGRZYTJHRSEZ-UHFFFAOYSA-N 380.469 4.802 0 50 GJAA CSc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)cc1 2844477 NOMNCBNIPCLRPL-UHFFFAOYSA-N 391.905 4.598 0 50 GJAA O=C(c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1)N1CCCC1 2857030 PESRMNJLKJSAKW-UHFFFAOYSA-N 393.434 4.750 0 50 GJAA Cc1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1Cl 2878901 FBPZYYFDQHIGED-UHFFFAOYSA-N 378.815 4.824 0 50 GJAA Clc1ccc(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1 4990231 XZVZIHKZBZTFIW-UHFFFAOYSA-N 379.891 4.850 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1Cc1cccc(F)c1 12305845 RBVPZCJLGCAUOG-OAQYLSRUSA-N 391.446 4.616 0 50 GJAA Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)s1 15065574 UTEBQTPQDGNRKN-HXUWFJFHSA-N 393.512 4.847 0 50 GJAA O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCCC[C@H]1c1ccccc1 20606119 VXMNDSYXHXUJIH-NRFANRHFSA-N 395.890 4.940 0 50 GJAA Oc1cccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 67673934 FVZUCPXIXXWBRY-UHFFFAOYSA-N 381.859 4.813 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71752713 HDAHNLBDNLKTJF-MRXNPFEDSA-N 395.453 4.840 0 50 GJAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 129216264 NPEYPASVYAONLM-PZJWPPBQSA-N 392.524 4.558 0 50 GJAA O=C1C[C@@H](C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c2ccccc21 475263401 YFCWAUYANDARLI-BSWNBAIRSA-N 393.486 4.770 0 50 GJAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 1506409246 VXTFRRBSUMZFIM-SFHVURJKSA-N 388.442 4.623 0 50 GJAA COc1cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)ccc1OC(C)C 673057 SOZDHCYIJZKTBD-DEDYPNTBSA-N 387.435 4.980 0 50 GJAA COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1OC 696065 XIXBXNAGATWAFS-UHFFFAOYSA-N 398.462 4.849 0 50 GJAA CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc12 752145 VITJLZVIODRFRK-UHFFFAOYSA-N 379.437 4.898 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@@H](C(C)(C)C)C2 996100 DXEXNLXWWMEKON-CQSZACIVSA-N 386.517 4.723 0 50 GJAA CCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 1072449 JZCUYPSUXPCIMV-ZDUSSCGKSA-N 377.271 4.547 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 1092487 MRCIOTLSCARHFQ-PGAZUGQPSA-N 393.486 4.956 0 50 GJAA biogenic O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1 1161654 XXRALQMOYBZHSU-HSZRJFAPSA-N 387.866 4.980 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)cc1 1167187 FUUVMOLGOFLETN-UHFFFAOYSA-N 390.418 4.519 0 50 GJAA CC1(C)C[C@@H]([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 1175604 VFBYROKFRKGQQU-RBUKOAKNSA-N 377.484 4.662 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(S)n1 1622554 UZZSOLKMTBMUKC-UHFFFAOYSA-N 375.375 4.703 0 50 GJAA COc1ccccc1[C@@H](CCN(Cc1ccc(F)cc1)C(C)=O)c1ccco1 2334430 LBPWZNIWYSIBRM-OAQYLSRUSA-N 381.447 4.998 0 50 GJAA Cc1cccc(N2CCN(C(=S)Nc3cccc4ccccc34)CC2)c1C 2855982 QPNJQIBNVLOIQF-UHFFFAOYSA-N 375.541 4.976 0 50 GJAA CC(C)n1cc(CN(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)cn1 11702596 SCOTUYMYTMKCTA-HXUWFJFHSA-N 388.987 4.504 0 50 GJAA Fc1ccc(N[C@@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)cc1F 11718199 SGVPCPOFTUZMGR-GOSISDBHSA-N 396.441 4.624 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1Cc1ccc(F)cc1 11937931 BDWQRTLAWAOLNA-NRFANRHFSA-N 391.446 4.616 0 50 GJAA CN(Cc1cccnc1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1 12308441 OBXKRLWIXWXFTO-OAQYLSRUSA-N 380.875 4.621 0 50 GJAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)Cc1ccsc1)C2 14990332 KDENMIBHNXFGRU-UHFFFAOYSA-N 399.537 4.757 0 50 GJAA CN(CCCSc1ccccc1)C(=O)c1ccc(CSc2ncccn2)o1 55384903 CQBPYWMPILLBMN-UHFFFAOYSA-N 399.541 4.616 0 50 GJAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1ccc(SCc2ccco2)cc1 96162170 FORGIPHFJIJCKC-UHFFFAOYSA-N 382.489 4.836 0 50 GJAA O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1CCOC2(CCCC2)C1 192466943 ZXWWVJXXZZXDMF-HNNXBMFYSA-N 393.325 4.551 0 50 GJAA Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)cc2)cc1 225460764 GTYBZMCAZXSEIK-UHFFFAOYSA-N 376.460 4.922 0 50 GJAA O=C(Nc1cccc(CNC(=O)N2CCCC3(CCC3)C2)c1)C1CCCCC1 471724919 JLZMRNCQBSRPCF-UHFFFAOYSA-N 383.536 4.681 0 50 GJAA COc1cc(NC(=O)c2cc(C)c(OC)c(C)c2)ccc1NC(=O)CC(C)C 824596636 BICHNRCQNQONSV-UHFFFAOYSA-N 384.476 4.558 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(F)cc2)cc1 1142983 RFFQEGYHWSMNEV-UHFFFAOYSA-N 398.821 4.992 0 50 GJAA CC[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1147253 ZQVPFKIZWSDROV-LJQANCHMSA-N 376.422 4.548 0 50 GJAA Cc1ccccc1-n1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1 1180652 AVNBFDWHRMCLPZ-UHFFFAOYSA-N 396.494 4.614 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(CSc3ccccc3)s2)cc1 1239307 MTVGHDRUFXYZLN-UHFFFAOYSA-N 386.502 4.873 0 50 GJAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1801398 OAKGZOHUUYISKJ-UHFFFAOYSA-N 376.250 4.658 0 50 GJAA CCCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 2055814 RJKKNJABGSGQHA-UHFFFAOYSA-N 375.277 4.869 0 50 GJAA Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1 2715872 LLONCFDABAUIKY-UHFFFAOYSA-N 392.480 4.639 0 50 GJAA aggregator Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1Cl 4600003 FTQWLEIHHZRAQW-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2 6828538 OUVQIFYZXYXSGJ-UHFFFAOYSA-N 395.469 4.502 0 50 GJAA Sc1nnc([C@@H](Sc2ccccc2)c2ccccc2)n1C[C@H]1CCCO1 6927646 OEISRHYVGJRIGR-AEFFLSMTSA-N 383.542 4.628 0 50 GJAA COCC[C@H]1CCCCN1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 12074152 ITEZBGYXKNDSDK-HXUWFJFHSA-N 383.536 4.629 0 50 GJAA CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(CCCc2ccccc2)C1 14980674 JPTNHYGOHHZOFL-OAQYLSRUSA-N 376.500 4.602 0 50 GJAA COC(=O)c1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)cc1 15067490 XZOTYEVUNRGBAA-NRFANRHFSA-N 389.499 4.551 0 50 GJAA C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC[C@H]1c1ccccc1 152906553 ARTHSWBIVYTCEQ-DYESRHJHSA-N 388.471 4.926 0 50 GJAA O=C(NCc1nnc(-c2ccccc2)s1)N1CCCCC[C@@H]1c1ccco1 153445653 MFQPRPZUMWYKJK-MRXNPFEDSA-N 382.489 4.625 0 50 GJAA Oc1cccc(CC[C@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)c1 215270096 FWUDKOLIGNJLDU-HSZRJFAPSA-N 375.516 4.624 0 50 GJAA CCCCO[C@H](C)C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 252511798 KQBRXJUZBGILMS-DENIHFKCSA-N 390.568 4.610 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 463544290 RCAARGAPNCNLMK-HZPDHXFCSA-N 376.884 4.625 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3nc4ccccc4s3)C1)CC2 1857704820 HCJYHDJRQPDOAA-JOCHJYFZSA-N 394.544 4.574 0 50 GJAA CC(=O)Nc1ccc(-c2nnc(SCc3c(C)cc(C)cc3C)n2C)cc1 1142574 FAZXASBCPVIVGY-UHFFFAOYSA-N 380.517 4.658 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 1460055 OCJDSPRTIJNMLJ-LJQANCHMSA-N 389.451 4.757 0 50 GJAA CCOc1ccc(Br)cc1-c1noc(-c2cccc(OC)c2)n1 2882974 FRCMIRSNASUDNN-UHFFFAOYSA-N 375.222 4.573 0 50 GJAA CCOC(=O)C(C(=O)OCC)[C@H](Nc1ccc2ccccc2c1)c1ccccc1 3180054 VRXGCOSVMAPACL-JOCHJYFZSA-N 391.467 4.735 0 50 GJAA CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 3626942 HETRQTLKVFABGG-KSSFIOAISA-N 389.879 4.565 0 50 GJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(C)o2)C3)cc1 11871213 HLGJUKRNXYWQKA-UHFFFAOYSA-N 379.456 4.667 0 50 GJAA Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 12613124 UNOHTGJVAHSCML-FQEVSTJZSA-N 392.524 4.659 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)Cn3nccc3C)cc(Cl)cc12 71551807 JGOWOBZOXMTDQA-UHFFFAOYSA-N 392.890 4.618 0 50 GJAA Cc1cc(C)nc(CNC(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 95512340 LBPHCJRIZSBTLF-FQEVSTJZSA-N 379.891 4.585 0 50 GJAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 157691686 KCYNQZFCMJEOJR-HXUWFJFHSA-N 385.419 4.624 0 50 GJAA CCc1ccc(C(C)(C)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1 170654041 OTGQZPXMDUHVMR-UHFFFAOYSA-N 378.516 4.676 0 50 GJAA CC(=O)OCCN(C[C@H]1[C@@H](C)CC(C)=C[C@H]1C)C[C@H]1[C@@H](C)CC(C)=C[C@H]1C 239025467 BRHVDTJVVBPNCJ-VOHCSVJJSA-N 375.597 5.328 0 50 GJAA Cc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@@H]4[C@]3(O)C(F)(F)F)n2)cc1 248329880 DTUQFRUTJMATAT-YEWDVWPNSA-N 395.450 4.982 0 50 GJAA Brc1cccc(C2(CNc3nccc4occc34)CCOCC2)c1 462374999 JJFVFKNBRYUTRK-UHFFFAOYSA-N 387.277 4.751 0 50 GJAA C[C@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)Nc1ccccc1 1456202657 SWHFVCFGVRASDS-AWEZNQCLSA-N 396.393 4.514 0 50 GJAA O[C@@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1-c1ccccc1 643312 YRBBICNLUIYJCA-FQEVSTJZSA-N 391.471 4.780 0 50 GJAA Cc1cccc(-n2c(=O)c3c(n4cnnc24)-c2ccccc2CC32CCCCC2)c1 717321 KPZGTLUVMFUIMT-UHFFFAOYSA-N 396.494 4.614 0 50 GJAA CC1(C)Cc2nc3sc4c(NCCc5ccccc5)ncnc4c3cc2CO1 877740 ORUNPFPZANUSAF-UHFFFAOYSA-N 390.512 4.745 0 50 GJAA O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1c(F)cccc1F 1001993 CJWLDVWHNNXOML-UHFFFAOYSA-N 382.197 4.769 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1C 1167944 BCPAVVRQONAWRM-UHFFFAOYSA-N 387.936 4.684 0 50 GJAA COc1ccc(OCCOCCOc2c(C)cc(C)cc2Br)cc1 4702034 PZITUEKQCWEGFG-UHFFFAOYSA-N 395.293 4.549 0 50 GJAA CCOC(=O)C1(CCc2ccccc2)CCN(Cc2csc(C(C)=O)c2)CC1 13595650 ATKOVCAQZDGBOF-UHFFFAOYSA-N 399.556 4.729 0 50 GJAA COc1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O 14970761 UIPGFDHUYANJBF-HNNXBMFYSA-N 394.298 4.803 0 50 GJAA CCOc1ccccc1-c1nc(CN2CCCN(c3ccccc3)CC2)c(C)o1 19939905 XVQKJWZHCKTQEY-UHFFFAOYSA-N 391.515 4.761 0 50 GJAA Cc1cccc(-c2c(-c3ccccc3)ncn2[C@@H](C(=O)N(C)C)c2ccccc2)n1 65508238 SLGNTMODIBDERO-HSZRJFAPSA-N 396.494 4.598 0 50 GJAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nc2ccccc12 95503752 WCWXFODTNITHTI-IBGZPJMESA-N 383.499 4.567 0 50 GJAA C[S@](=O)Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl 115268657 INBBPIMIUVUFSS-AREMUKBSSA-N 391.851 4.870 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 132024108 BTYIPUVZHHJVID-APWZRJJASA-N 396.874 4.954 0 50 GJAA Cc1ccc2ncc(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)n2c1 157913329 OZKJPEYZOZAMHL-UHFFFAOYSA-N 397.544 4.502 0 50 GJAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 252394276 DDACRHHJILWIBA-HKTJVKLFSA-N 387.608 4.779 0 50 GJAA Brc1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 252503333 VBHJVWNXHUAFHX-UHFFFAOYSA-N 378.293 4.788 0 50 GJAA CCNC(=O)c1cc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c(C)s1 889397887 UWODNPMBXWHJFU-SJCJKPOMSA-N 389.496 4.560 0 50 GJAA CCOP(=O)(Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1)OCC 1776004647 WNYNJZMNYOUJAZ-UHFFFAOYSA-N 396.449 4.707 0 50 GJAA COC(=O)c1ccc(NC(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c(C)n1 1875361841 DUBNMZGARKHWIF-NRFANRHFSA-N 397.519 4.894 0 50 GJAA COc1ccc2oc(=O)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1 860692 WVNGPWJRHWZRJM-UHFFFAOYSA-N 399.446 4.644 0 50 GJAA Cc1c(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)oc2ccccc12 1177120 GZJXYIWXUSKIAT-UHFFFAOYSA-N 393.512 4.858 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2cccs2)n1 2792343 NIYSUJHSNIWUTG-UHFFFAOYSA-N 375.906 4.898 0 50 GJAA Cc1nn2c(NCCCN(C)C)cc(-c3ccccc3)nc2c1-c1ccccc1 5270398 HPVJVSYUFOSUEV-UHFFFAOYSA-N 385.515 4.735 0 50 GJAA COC(=O)c1ccc(OCCOc2ccc(OCc3ccccc3)cc2)cc1 8730055 VNVHQDMCBBLSOQ-UHFFFAOYSA-N 378.424 4.510 0 50 GJAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)o1 12755512 QPEBTXMRLKSISN-HXUWFJFHSA-N 389.451 4.690 0 50 GJAA CN(CCc1ccccc1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 15063505 SQMJVQDFVJTCGU-UHFFFAOYSA-N 384.479 4.928 0 50 GJAA CCCc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ccn1 67840469 UJYWZBJRRFPCPN-SFHVURJKSA-N 379.287 4.555 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(c2cc(C(C)C)ncn2)CCO3)s1 67934145 MZMYPPJWXMJCBE-UHFFFAOYSA-N 381.501 4.742 0 50 GJAA COC[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12 92066422 BTIWPLPNTADIIQ-AWEZNQCLSA-N 384.863 4.789 0 50 GJAA COc1ccc(NC(C)=O)cc1N(Cc1cc(-c2ccccc2)no1)C(C)C 225652720 YYUVRYCMDBYCDA-UHFFFAOYSA-N 379.460 4.724 0 50 GJAA O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)c(Cl)cc2c1Cl 232314116 SZSWVQVBYXPKNL-UHFFFAOYSA-N 392.185 4.792 0 50 GJAA Cc1nc([C@@H](C)N(C)C(=O)CCCc2nc(-c3ccccc3C)no2)c(C)s1 952864431 YVGYEXJXGWQFEF-CQSZACIVSA-N 398.532 4.661 0 50 GJAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc(-c3ccc(C)c(C)c3)s2)C12CCC2 2325826489 CFSUTWWVKPRZIP-RBUKOAKNSA-N 384.545 4.847 0 50 GJAA CC[C@H](C(=O)NCc1cccc2ncsc12)n1cc(C(C)=O)c2ccccc21 2356153392 DUXSOKBUWWTOGU-LJQANCHMSA-N 391.496 4.721 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 1142178 BPOHPHAZXZWCSR-ROUUACIJSA-N 381.516 4.813 0 50 GJAA COC(=O)c1ccccc1NC(=O)Nc1ccc(Br)cc1Cl 2855550 WGZSXYZGJWQFHP-UHFFFAOYSA-N 383.629 4.533 0 50 GJAA Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 3770754 AFBHTDBIDFYBCS-UHFFFAOYSA-N 388.423 4.835 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(-c2ccccc2)cc1)C(=O)O 4241213 MNEMRGCBNUYVIW-QHCPKHFHSA-N 381.472 4.750 0 50 GJAA CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)c1 4842026 VIUWQIYFZVLYAY-UHFFFAOYSA-N 386.407 4.506 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC1CCN(C(C)C)CC1 12714546 PYERKDLQSVFKKR-NRFANRHFSA-N 380.580 4.657 0 50 GJAA Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 20602769 WBKLTCDZUMIRDD-UHFFFAOYSA-N 387.821 4.780 0 50 GJAA O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 44917163 VFUYLKLNRAOAHV-UHFFFAOYSA-N 378.516 4.859 0 50 GJAA CSc1ccccc1NC(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccco1 55414221 FGXICIJSRKZGDH-QFIPXVFZSA-N 394.496 4.626 0 50 GJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc(O)cc1 67742050 LKHYEQZPTXMQSB-UHFFFAOYSA-N 388.345 4.528 0 50 GJAA O=C(c1ccc(N2CCC[C@H](CCc3cccc(F)c3)C2)nc1)N1CCCCC1 72421069 SFZNALSVIDZOCV-HXUWFJFHSA-N 395.522 4.696 0 50 GJAA C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccc(F)cc1 96137930 XMAJBQBVKHYMKX-INIZCTEOSA-N 383.467 4.725 0 50 GJAA COc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1C 252484269 FTHZNXWLYADGBU-UHFFFAOYSA-N 378.447 4.685 0 50 GJAA Cc1c(C(=O)N2CCCC[C@@H]2CCc2cccs2)c2cc(O)ccc2n1C 1506397656 XFIYWYBASWRHNE-MRXNPFEDSA-N 382.529 4.881 0 50 GJAA COc1ccc(NC2(C(=O)N(C)[C@@H](C)c3cccc(OC)c3)CCCC2)cc1 1506411719 UMMLZKLOQPTMFF-KRWDZBQOSA-N 382.504 4.648 0 50 GJAA CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 664122 WFLMJDUCLYVCQZ-UHFFFAOYSA-N 394.544 4.894 0 50 GJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 1140712 UBUFRFODOBGECQ-UHFFFAOYSA-N 381.657 4.703 0 50 GJAA CC(=O)c1c(Cl)c(Br)c(C(C)=O)c(Cl)c1Br 3121806 CREXIBIMYLGMKT-UHFFFAOYSA-N 388.870 4.924 0 50 GJAA Oc1cc(O)c2sc3nc(Cc4ccccc4)cc(C(F)(F)F)c3c2n1 5593891 CFSYFEQTDIPZDN-UHFFFAOYSA-N 376.359 4.865 0 50 GJAA CSc1cccc(NC(=O)N2CCC(CO)(CCc3ccccc3)CC2)c1 12470505 ZWTMVFVGLKDJDU-UHFFFAOYSA-N 384.545 4.648 0 50 GJAA CCOc1cc(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1O 15076731 DPXGRXSZWWBEEI-HXUWFJFHSA-N 391.515 4.761 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1cccc2nonc12 19851932 HOKJGEVBMSXNRV-IBGZPJMESA-N 387.487 4.520 0 50 GJAA CCCn1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCCN2C)c1C 65406196 QKZMMCZDOXYTBV-FQEVSTJZSA-N 377.536 4.616 0 50 GJAA Cc1ccc(Sc2ccc(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)o2)cc1 72145072 WIXXQWPMGCLEHY-NRFANRHFSA-N 386.517 4.546 0 50 GJAA COc1cc(SC)c(OC)cc1CN1CCCC[C@H]1c1nc(C(C)C)no1 215465819 XDYPUFHGIHLFEA-HNNXBMFYSA-N 391.537 4.659 0 50 GJAA Clc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 263615112 APGPMRSHSBLBEO-SFHVURJKSA-N 378.819 4.525 0 50 GJAA COc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 1465296236 HXMOIASQURTMEE-UHFFFAOYSA-N 386.904 4.753 0 50 GJAA CCCOc1ccc(S(=O)(=O)Nc2ccccc2OCC)c2ccccc12 1875318636 JXNVUNYDQVHPNP-UHFFFAOYSA-N 385.485 4.828 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nc2ccc(N(C)C)cc2s1 626774 DZQMWUDFMJPRBV-UHFFFAOYSA-N 385.558 4.964 0 50 GJAA Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCc2ccco2)cc1)CC3 1079006 KGKPIDIDRWZTKC-UHFFFAOYSA-N 383.451 4.760 0 50 GJAA COC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 1120717 JXZMXHZEQJHLHO-QFIPXVFZSA-N 389.451 4.908 0 50 GJAA O=S(=O)(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 2483863 BHPGTOWNMQBRJP-UHFFFAOYSA-N 384.844 4.949 0 50 GJAA Cc1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)cc4)nc3c2c1C 2808762 TTXNSHRAMXNOIU-UHFFFAOYSA-N 394.891 4.521 0 50 GJAA CCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccccc1-2 2911535 ORDPNEDADAPPNE-SFHVURJKSA-N 380.473 4.552 0 50 GJAA COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(F)cc1 4413539 HKOFIRSSQJCDEU-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 4727700 OWOBTLUZFXKKGI-UHFFFAOYSA-N 390.418 4.519 0 50 GJAA COc1cccc(OC)c1OCCCCN1CCC(Cc2ccccc2)CC1 4833380 VIGCGDJDZXNXPV-UHFFFAOYSA-N 383.532 4.818 0 50 GJAA CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)CC1CCOCC1 11841743 AQSKPJADHFIGPT-UHFFFAOYSA-N 391.515 4.738 0 50 GJAA O=C(c1cccc2ccccc12)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 12578374 UOIKKCGVZPDDKH-IBGZPJMESA-N 395.462 4.518 0 50 GJAA Fc1ccc(NC(=S)Nc2ccn(Cc3ccccc3F)n2)cc1Cl 13330445 NMEVXCQBBYALKW-UHFFFAOYSA-N 378.835 4.672 0 50 GJAA CN1/C(=C\C(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C 32609515 YYCOWFJPWBHWDR-PDGQHHTCSA-N 385.305 4.695 0 50 GJAA CCC[C@@H]1CCN(Cc2ccccc2-c2nc(O)c(C)c(C(F)(F)F)n2)C1 48436009 KDJLQPMTNBBNLB-CQSZACIVSA-N 379.426 4.798 0 50 GJAA Cc1nc(N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c2ccsc2n1 67982051 FKYYZPOGXKUZBR-UHFFFAOYSA-N 375.501 4.774 0 50 GJAA CCc1n[nH]c(-c2cccc(NC(=O)N(Cc3ccc(C)s3)C3CC3)c2)n1 96152321 UQADZEVMYXZIDQ-UHFFFAOYSA-N 381.505 4.601 0 50 GJAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1F 169759781 BRJLWSPNFBOJBL-LJQANCHMSA-N 385.826 4.508 0 50 GJAA Cc1cccc(C)c1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 225495929 RZOHUTNIHWJJDD-QGZVFWFLSA-N 379.485 4.748 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)c(C)n1 247994347 CCDFNZRIXBXVSZ-ZTCSNLBFSA-N 392.543 4.828 0 50 GJAA CC(=O)Nc1cc(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)ccc1F 784732440 KTZMNBMQWNRZDJ-UHFFFAOYSA-N 384.357 4.982 0 50 GJAA COc1ccccc1-c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cc1 824828500 DRSAXFNPBDMRPQ-UHFFFAOYSA-N 388.467 4.625 0 50 GJAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C[C@H]2C(=O)O)cc1C 1857798472 ICMZTHGENFJPMO-RTBURBONSA-N 376.456 4.825 0 50 GJAA COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631188 AEKBBMOXLXIZAP-SJORKVTESA-N 375.259 4.740 0 50 GJAA CCOC(=O)c1cnn2c1N[C@H](c1ccc(C(C)C)cc1)C[C@@H]2C(F)(F)F 1071568 YTHKWYQPULVTLD-JKSUJKDBSA-N 381.398 4.844 0 50 GJAA O=C(c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1)N1CCCCC1 1119353 ZQSXFCYXTCFCFQ-UHFFFAOYSA-N 376.500 4.763 0 50 GJAA Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1C 1165318 QRFVQAQBVUKFLQ-ZDUSSCGKSA-N 377.271 4.602 0 50 GJAA Cc1ccc(C(=O)N/C(=C/c2ccc(C(C)C)cc2)C(=O)NCC(C)C)cc1 2677596 HDVMMDCMWXHSGF-HYARGMPZSA-N 378.516 4.662 0 50 GJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2848280 IHJBPIAYFWKQNI-KRWDZBQOSA-N 377.440 4.680 0 50 GJAA O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccccc1C(F)(F)F 3069902 LAYKZIHQNSONHB-UHFFFAOYSA-N 384.568 4.817 0 50 GJAA S=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 5060542 VTSCIKMVAOYQJV-UHFFFAOYSA-N 394.371 4.944 0 50 GJAA Cc1cc(C)c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c(-n2cccn2)c1 12300653 JORZPSSEKOIOCZ-IBGZPJMESA-N 385.515 4.834 0 50 GJAA Cc1cccc([C@@H]2CCCN(C(=O)c3cc(Cc4ccc(F)cc4)no3)C2)c1 14878907 KTDIOXWRYYBYMF-LJQANCHMSA-N 378.447 4.733 0 50 GJAA CN(Cc1cccc2ccccc12)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 14999661 KGJMMEWUPTWXAE-HSZRJFAPSA-N 390.502 4.992 0 50 GJAA CCOc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 19146646 MIAUZXMRRCJROG-IBGZPJMESA-N 379.479 4.994 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cn1 20323445 TVQVVMBBDRTXGV-HSZRJFAPSA-N 386.543 4.548 0 50 GJAA CC(C)C(=O)Nc1cccc(NC2CCC3(CC2)C(=O)Nc2ccccc23)c1 182945206 QUDUAGYUBRMASG-UHFFFAOYSA-N 377.488 4.526 0 50 GJAA CCCCN(Cc1sccc1C)C(=O)[C@H](C)c1nnc(O)c2ccccc12 952976121 JLPJFIXYXKMAPV-OAHLLOKOSA-N 383.517 4.638 0 50 GJAA OCC[C@@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1347681636 CGYONDIDUMYUNY-QGZVFWFLSA-N 375.459 4.528 0 50 GJAA O=Cc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(Br)cc1 732178 HCCVIEJYXLKDLG-UHFFFAOYSA-N 379.616 4.907 0 50 GJAA O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1 1065355 RDTRHOYRLHCZPJ-UHFFFAOYSA-N 397.327 4.561 0 50 GJAA Cc1ccc(CC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 1067581 FPLBJQLCTVHUHZ-UHFFFAOYSA-N 383.879 4.678 0 50 GJAA Cc1c(C(=O)Nc2cccc(I)c2)oc2ccccc12 1084321 LRASBMDZLSXASS-UHFFFAOYSA-N 377.181 4.598 0 50 GJAA C[C@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1 4575198 BZKTYZWUZLSIMQ-LNIIZBNTSA-N 393.486 4.682 0 50 GJAA CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4581142 BGCZNYOUKVKODC-FQEVSTJZSA-N 383.488 4.717 0 50 GJAA Cc1nn2c(NC[C@H]3CCCO3)cc(-c3ccccc3)nc2c1-c1ccccc1 7636167 PDTZBLIFHFJROH-HXUWFJFHSA-N 384.483 4.963 0 50 GJAA COc1cccc(C[C@@]2(CO)CCCN(Cc3[nH]c4ccc(C)cc4c3C)C2)c1 13593408 FLBXKEKDPVBZPV-VWLOTQADSA-N 392.543 4.611 0 50 GJAA O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)C1CCC1 14986674 BXNRSYNQKVTMIG-OAHLLOKOSA-N 375.390 4.592 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC23CCN(CC2CCCCC2)CC3)cc1Cl 14993100 SSVCJLBAWKKZJK-GOSISDBHSA-N 390.955 4.970 0 50 GJAA FC(F)(F)c1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccnc3)C2)c1 19840960 DDFPPVUNLJWCSO-KRWDZBQOSA-N 386.421 4.870 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C)cc3C)cc2)n1 64800727 ZEFMGMZTFWMPQJ-UHFFFAOYSA-N 375.476 4.830 0 50 GJAA CCc1cc([C@H](C)n2cnc(-c3ccccc3)c2-c2[nH]c(CC)nc2C)on1 67472820 ZWTMPCBMQMWFDA-HNNXBMFYSA-N 375.476 4.971 0 50 GJAA CC(=O)c1cccc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)c1 77299467 IMVSZIHBJUAYGC-UHFFFAOYSA-N 387.483 4.608 0 50 GJAA O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(F)cc1C(F)(F)F 158432535 BUWVRVQIOGOOKP-UHFFFAOYSA-N 383.732 4.936 0 50 GJAA C[C@H](NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(C(F)(F)F)n1C 225411896 RIZKUYKTAYEWBY-LBPRGKRZSA-N 396.388 4.516 0 50 GJAA O=C1[C@H](c2ccccc2)[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H]1c1ccccc1 239331275 KKIVHHRFFPSOGI-LWSSLDFYSA-N 383.447 5.395 0 50 GJAA CN(C(=O)c1ccc(CN2CCCC2=O)cc1)[C@@H]1CCCC[C@@H]1c1ccccc1 415983419 NSLMHVJAUGDTCX-DHIUTWEWSA-N 390.527 4.607 0 50 GJAA Cc1ccc(Sc2ccc(CN3CCC4(CC3)C[C@](C)(O)CCO4)o2)cc1 1704330653 ZHQSGKUFBCKHFY-OAQYLSRUSA-N 387.545 4.635 0 50 GJAA CC1=C[C@@H]2C(C)(C)C[C@H](O)C[C@@]2(C)C[C@@H]1COc1ccc2ccc(=O)oc2c1 1848443777 HFRDLQOAYZVZNK-YVXPOVKHSA-N 382.500 4.941 0 50 GJAA CN(C)[C@H](C(=O)Nc1ccsc1-c1ccc(Cl)cc1)c1cscn1 1857530291 ZJYLBCXSRPJVLM-HNNXBMFYSA-N 377.922 4.766 0 50 GJAA CCc1cccc2c(CCNC(=O)Nc3cccc(-n4ccc(C)n4)c3)c[nH]c12 1875257694 OZEPMIHOMXZNAA-UHFFFAOYSA-N 387.487 4.589 0 50 GJAA CNc1nc(C)ccc1C(=O)NCCc1c(C)[nH]c2c(Cl)ccc(Cl)c12 1875316445 RTFGMWPYYAHHCP-UHFFFAOYSA-N 391.302 4.501 0 50 GJAA CCN(C[C@H]1COc2ccccc2O1)c1nc(-c2ccccc2)nc2ccccc12 1875332909 QHJVPTXJPWAGNR-IBGZPJMESA-N 397.478 4.963 0 50 GJAA C[C@@H](NC(=O)c1cnoc1Cc1ccccc1)c1ccc2nc(C3CC3)[nH]c2c1 2325825117 FBQVLQYSJCZADW-CQSZACIVSA-N 386.455 4.510 0 50 GJAA C[C@H]1CN=C(N2CCC[C@@H](CCCc3ccccc3)C2)N1Cc1ccccc1 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Cc1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 941285 NDUFJZIBUVOLAC-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 2873144 VPNALYOVXYPNKN-UHFFFAOYSA-N 389.386 4.804 0 50 GJAA O=C1CC[C@H](CCNCc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1F 12210578 SZCOXNOAEXXBHO-GOSISDBHSA-N 394.412 4.515 0 50 GJAA C[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1F 12383976 DZHDAWHJDALFCF-HNNXBMFYSA-N 391.421 4.854 0 50 GJAA Cc1ccc(NC(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1F 13320225 PWVXYFIMQFQHJC-UHFFFAOYSA-N 377.463 4.637 0 50 GJAA O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 17077659 SRAGDPLKSQWMKK-UHFFFAOYSA-N 379.847 4.914 0 50 GJAA Cc1ccc(C(=O)N[C@@H](N(C)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 19799957 ZGCTYGCYACCXTO-KRWDZBQOSA-N 385.722 4.553 0 50 GJAA O=C(OC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 20365194 OEGGZQBWMRWYFF-UHFFFAOYSA-N 384.785 4.580 0 50 GJAA COc1cc(C)c(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 170615040 ORJSOPUQRQBBJW-UHFFFAOYSA-N 398.267 4.626 0 50 GJAA CCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)[C@@H]1CCCc2cccnc21 170617609 FSMJVTOSTREPSR-GOSISDBHSA-N 384.524 4.615 0 50 GJAA CN(C(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(Oc2ccccn2)cc1 170658780 HGEQAWWXSARJJC-UHFFFAOYSA-N 388.402 4.680 0 50 GJAA COc1ccc(F)c(F)c1C(=O)N1CCC(Sc2ccc(C)cc2)CC1 299797211 QDCVPFSFZZPDHY-UHFFFAOYSA-N 377.456 4.679 0 50 GJAA O=C(Cc1ccccc1C(F)(F)F)Nc1cccc(CN2CCCCC2)c1 517824266 NQZKFZZENIQBBU-UHFFFAOYSA-N 376.422 4.873 0 50 GJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)C1(Nc3ccc(C)cc3)CCCCC1)C2 1704299506 QCDICFQHMHQCEC-GGAORHGYSA-N 384.564 4.918 0 50 GJAA Cc1c(C(=O)N(Cc2ccccc2)[C@H](C)CO)[nH]c2cc(Cl)cc(Cl)c12 1875343531 MJDZLZDNQUHFGY-GFCCVEGCSA-N 391.298 4.806 0 50 GJAA CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)C(C)(C)C)cc12 623845 FURGOVFGFKNQCU-UHFFFAOYSA-N 383.238 4.632 0 50 GJAA biogenic CC1(C)C[C@@H](NC(=O)C2CCCCC2)C[C@@](C)(CNC(=O)C2CCCCC2)C1 669165 FGHZXDKIKAURBN-HYBUGGRVSA-N 390.612 4.964 0 50 GJAA C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 671270 RINFENOMBNPDPR-CQSZACIVSA-N 384.273 4.859 0 50 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CCCCc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)n[nH]c2=S)cc1 2207684 BCLZNZHBGMNTSH-UHFFFAOYSA-N 399.516 4.965 0 50 GJAA Cc1ccc(NC(=O)CCCC(=O)O[C@H](C)C(=O)c2ccccc2)cc1Cl 2817945 HRJVDAFHBKDATR-OAHLLOKOSA-N 387.863 4.572 0 50 GJAA Cc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1 4355035 WDMWVLXSQSVCCT-UHFFFAOYSA-N 383.499 4.583 0 50 GJAA CCN(CC)CCCC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 5952386 MQKRYJIIXPRMCY-HSZRJFAPSA-N 395.547 4.628 0 50 GJAA Cc1c(-c2nc(N)nc(Nc3cccc(C(F)(F)F)c3)n2)oc2ccccc12 9109256 ZWEWASRDQKPJOR-UHFFFAOYSA-N 385.349 4.938 0 50 GJAA C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1cccs1 12245289 ZLTLHHVZTZCPPD-QGZVFWFLSA-N 394.540 4.733 0 50 GJAA C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)[C@@H]1CCCO1 12383289 GBMVZTMAEXVOCC-KCJUWKMLSA-N 388.714 4.615 0 50 GJAA Cc1cc(CN(C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1 20541350 WGMADBCYPHBDMC-UHFFFAOYSA-N 380.423 4.508 0 50 GJAA CC[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(C)cc1 20616641 JJWKMJGWZUANOJ-CYBMUJFWSA-N 381.423 4.843 0 50 GJAA O=C(Nc1ccccc1C(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 55053990 ZEWMIAQSDPIQGL-RMKNXTFCSA-N 389.421 4.568 0 50 GJAA Cc1ccsc1CN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 55153252 QPCCJETUSPUCGK-OAQYLSRUSA-N 379.525 4.727 0 50 GJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 71750329 HPVOPYQZSMTRKU-MRXNPFEDSA-N 379.529 4.672 0 50 GJAA COc1cc(CNc2ccc(C(C)(C)C)cc2)ccc1OCC(=O)N1CCCC1 237257880 FLSLTCLORHNFSV-UHFFFAOYSA-N 396.531 4.606 0 50 GJAA O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cc2ccccc2c(O)n1 467853678 SQGBOSRWEOEVQS-HDJSIYSDSA-N 387.266 4.923 0 50 GJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccccc3-c3ccccc3F)C[C@H]2C1 1529161227 CVEQECQXSPUIEH-QGFMHUBQSA-N 380.507 4.684 0 50 GJAA CC(C)(C)C1CCC(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704348386 MAYYYKGPSVRHLX-BWLPEJSISA-N 394.559 4.761 0 50 GJAA COc1cc(Cl)cc(C(=O)NCC(C)(C)c2coc(-c3ccccc3)n2)c1 1875316053 SBHPJOXJUDEHKZ-UHFFFAOYSA-N 384.863 4.711 0 50 GJAA CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 1089443 QPXNWPCWYBPIJF-QGZVFWFLSA-N 384.907 4.765 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 1408546 OCVADCGGERDPOV-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA COc1ccccc1CNC(=S)Nc1ccc(Br)cc1Cl 2853371 WOYIRKXUUMASKI-UHFFFAOYSA-N 385.714 4.598 0 50 GJAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 15080267 FHWBBKOVLMJYPM-SFHVURJKSA-N 394.906 4.581 0 50 GJAA CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 16956849 RBTJFBRXFBMHAX-LICLKQGHSA-N 389.860 4.642 0 50 GJAA O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N(Cc1ccccn1)C1CC1 178235390 HZGNYRLMELJKQA-HXUWFJFHSA-N 377.488 4.592 0 50 GJAA C[C@@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)c1ccccc1)[C@H](C)[C@H]32 239235614 WIFNCGJZNHYSGP-CXTXWBBDSA-N 392.495 5.045 0 50 GJAA CCSCSc1nnc(Cc2cccs2)n1CCc1ccccc1 240333619 FEJBQRULQAUCQH-UHFFFAOYSA-N 375.588 4.976 0 50 GJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 329521627 OZVKQLPSAIYHRS-LJQANCHMSA-N 398.555 4.608 0 50 GJAA Cc1cccc(SC2CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)c1 1506408765 WXJVBIAZMVRXCE-UHFFFAOYSA-N 381.501 4.545 0 50 GJAA CC(C)Cc1ccc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)s1 1615941731 GUBKJOVYVNWCPF-MBSDFSHPSA-N 380.557 4.530 0 50 GJAA CC[C@@H](C)CCC(=O)N1CCC2(CC1)CCN(c1nc3cc(F)ccc3o1)C2 1875333767 KPKJAPZHMCVPSY-MRXNPFEDSA-N 387.499 4.612 0 50 GJAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N(C)[C@@H](c1ccc(F)cc1)C1CC1 2325708717 YGBBSJCWGGNMMG-FUHWJXTLSA-N 388.508 4.708 0 50 GJAA O=C(CCCCc1nc2ccccc2s1)N1CCC(OC(F)(F)F)CC1 2356149078 JADOEJLQSQUXJL-UHFFFAOYSA-N 386.439 4.537 0 50 GJAA COc1ccc(CNC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)cc1 655918 JACKUGYDUZEYGA-UHFFFAOYSA-N 398.462 4.849 0 50 GJAA Cc1cccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C 887673 JYPYKZZCZSBAJV-INIZCTEOSA-N 394.418 4.764 0 50 GJAA O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1 1130937 NDCGZFPKMSQIKA-HXUWFJFHSA-N 381.479 4.800 0 50 GJAA CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 4687326 VNUDMQZKFXJALS-UHFFFAOYSA-N 384.501 4.504 0 50 GJAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2ccccc2c1 4724307 ZHRYYKZTUHDQTD-UHFFFAOYSA-N 389.476 4.796 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C[C@@H]2CC=CCC2)CC1 12302328 GVGVNVJQEFTVRY-LJQANCHMSA-N 391.515 4.881 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCC(F)(F)F 12507310 MABOLLKSUVXJBC-HNNXBMFYSA-N 379.426 4.653 0 50 GJAA CC(=O)c1cc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cs1 12744517 DWSQYTANHDKUKR-MRXNPFEDSA-N 388.508 4.721 0 50 GJAA COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 43056860 LZACOIXMKYKKHJ-INIZCTEOSA-N 383.442 4.743 0 50 GJAA CCCc1cncnc1N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67856604 MMSOWAZMWJHWSV-UHFFFAOYSA-N 395.890 4.854 0 50 GJAA Fc1ccc(CN2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)cc1F 72154600 KBGGKVSOFNCXGG-JOCHJYFZSA-N 383.442 4.599 0 50 GJAA C[C@@H](CC(=O)N[C@H](CCCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 152947434 MFPFPOPEOVVUEV-HNAYVOBHSA-N 379.422 4.829 0 50 GJAA O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc2sccc2[nH]1 188738034 BWQHRNBKDYVVJC-GFCCVEGCSA-N 376.865 4.693 0 50 GJAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cn3cccc3)cc2)c1 1506402779 LCMLCORFLJPKSX-XMMPIXPASA-N 388.511 4.666 0 50 GJAA Cc1ccc(-c2ccc(C(=O)O)c(N3CCC[C@H]3c3nc(C(C)C)no3)n2)s1 1529126317 AYUDFVSIRPKKRK-HNNXBMFYSA-N 398.488 4.665 0 50 GJAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857717667 RPUROLXBKUYUPE-BJKOFHAPSA-N 390.527 4.669 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=O)N[C@@](C)(C(=O)O)C(C)C)c(F)c3)nc2c1 1875344026 BZCICMMJOQCASN-OAQYLSRUSA-N 399.422 4.563 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cc(C)cc(Cl)c3)C2=O)cc1 2356154725 HNMSHBVEVHHPHV-QHCPKHFHSA-N 396.918 4.759 0 50 GJAA O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1F 937390 FLDCVSJVMYGHEG-UHFFFAOYSA-N 377.238 4.964 0 50 GJAA COc1cc(Br)c(/C=C/c2ccc3cccc(O)c3n2)cc1OC 4003826 SUSANMYHNRVLDN-VQHVLOKHSA-N 386.245 4.891 0 50 GJAA CCCN1C(=O)[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 5028303 LWBKWNWLHNVMHJ-XMMPIXPASA-N 380.451 4.587 0 50 GJAA COc1ccc(-c2nc(CN(CC3CCC3)C[C@H]3CCCO3)c(C)o2)c(F)c1 11761774 NYBMEPRQRJELTH-GOSISDBHSA-N 388.483 4.579 0 50 GJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 11815245 NRPGJXBHZPGLEM-OAHLLOKOSA-N 396.487 4.869 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C3CCSCC3)cc2)c1 11948328 GYIIRFWZWTUOSA-QFIPXVFZSA-N 396.556 4.661 0 50 GJAA CSCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1c(F)cccc1Cl 12028417 RMMMNLJOBORGNQ-FQEVSTJZSA-N 388.895 4.798 0 50 GJAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)on1 13595396 DESBTUBMEUDODU-LJQANCHMSA-N 376.456 4.686 0 50 GJAA CN(C(=O)c1cccc(-c2ccco2)c1)[C@H]1CCCN(Cc2ccccc2F)C1 14980382 QBLYGKPFOHSMDZ-NRFANRHFSA-N 392.474 4.822 0 50 GJAA Cc1ccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)cc1C 20617007 FKMXKVQPPZYGNU-SFHVURJKSA-N 390.487 4.569 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4nc[nH]c4C)CC3)cc2)c1 95524984 WKEKVOSOYIFZEA-UHFFFAOYSA-N 388.515 4.544 0 50 GJAA CCN(Cc1cccc(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)c1)C(C)=O 252493961 NHJRSKRWGGWAGS-UHFFFAOYSA-N 392.503 4.590 0 50 GJAA O=C1OCCN1c1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 299802337 YZBRVWCFYBFTES-SFHVURJKSA-N 383.423 4.541 0 50 GJAA Cc1cnn(-c2ccccc2)c1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 464274331 JJSCOQLLMHGBJL-UHFFFAOYSA-N 381.304 4.730 0 50 GJAA Oc1ccc(F)c(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1F 1462187046 FMYDHTIBXKJNRT-GFCCVEGCSA-N 387.257 4.736 0 50 GJAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 1875395955 QVUKIDXWSAQQDR-AMGIVPHBSA-N 388.577 4.601 0 50 GJAA O=C(NCCCc1cc(F)cc(F)c1)Nc1cccc(OCc2cccnc2)c1 2325718453 SWRRSDRRGBYSCS-UHFFFAOYSA-N 397.425 4.693 0 50 GJAA Cc1cc(C)c2c(c1)[C@H](n1cc(-c3cccc(Br)c3)nn1)CCO2 2325840284 WPSLHIXFRNUDPO-GOSISDBHSA-N 384.277 4.696 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1 1119261 CPMAIBZPAIATEN-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 2969514 OJNCZCQJFSQGDL-UHFFFAOYSA-N 396.668 4.922 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4627687 VTADXJRQKMHKAZ-DJIMGWMZSA-N 396.556 4.740 0 50 GJAA O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1 4923805 HLRNIQDTJHUKJW-UHFFFAOYSA-N 386.904 4.769 0 50 GJAA O=C(C1=CCCCC1)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 11938156 CZVCEKDULCTAQV-QFIPXVFZSA-N 395.591 4.955 0 50 GJAA Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1sccc1Cl)O2 12152532 VJDUZAHCWDCLKK-HNNXBMFYSA-N 384.888 4.505 0 50 GJAA Cc1cn2c(C(=O)N3CCC[C@@H](Nc4ccc(C(C)C)cc4)C3)csc2n1 12303393 WTVGPFHCBYJENO-GOSISDBHSA-N 382.533 4.544 0 50 GJAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1Cl)CC2 14952623 FESKURDJHMXCQU-VYENPZKTSA-N 394.902 4.621 0 50 GJAA CCc1ncc(-c2c(-c3ccccc3)ncn2CCCCc2ccccn2)cn1 65409046 CCFKBMZGSUCEKQ-UHFFFAOYSA-N 383.499 4.987 0 50 GJAA CCCOc1c(Cl)cccc1NC(=O)N1CCC(c2ncncc2C)CC1 96167137 GNCYFQUEMRPUGU-UHFFFAOYSA-N 388.899 4.639 0 50 GJAA CC(C)CCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc21 100470173 WEFFOHUEHWPWDO-UHFFFAOYSA-N 384.863 4.659 0 50 GJAA CCCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc21 100478488 YJWWCLZDOZGSQE-UHFFFAOYSA-N 384.863 4.803 0 50 GJAA Cc1cccc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)c1C 100658358 SXSJGPAIFJKFAD-UHFFFAOYSA-N 378.472 4.622 0 50 GJAA COC(=O)[C@]1(Cc2ccccc2)[C@@H]2[C@@H]3[C@H]4[C@H]5C(=C6CC[C@@H]7[C@H]6[C@@H]5[C@H]3[C@@H]71)[C@@H]1CC[C@@H]2[C@H]41 257358262 SMXBRNWVWVAOTE-GNZWQMERSA-N 398.546 4.749 0 50 GJAA CCc1ccc2nc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc(C)c2c1 534642867 WSKKMFCSHSPUGO-UHFFFAOYSA-N 388.511 4.929 0 50 GJAA Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 926221805 SDQXIZIQSJMZLI-KDOFPFPSSA-N 386.471 4.782 0 50 GJAA FC(F)(F)c1cccc(CN2CC[C@@]3(C2)CN(CC2CCCCC2)CCO3)c1 1857692969 BTDBMJJYBNABFG-OAQYLSRUSA-N 396.497 4.562 0 50 GJAA C[C@H](CCc1ccc(F)c(F)c1)NC(=O)c1ccc(Oc2cccnc2)cc1 2325722021 JFNBVLWQKQVTQF-OAHLLOKOSA-N 382.410 4.903 0 50 GJAA COc1ccc(OC)c(NCc2ccc(OCc3ccccc3)c(OC)c2)c1 1229449 FXTJPYYXUCTLSF-UHFFFAOYSA-N 379.456 4.904 0 50 GJAA CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Br 1262850 GJEBAALAXWJEFA-UHFFFAOYSA-N 386.192 4.702 0 50 GJAA COc1ccc(NC2=C3CCCCC=C3N(c3ccc(OC)cc3)C2=O)cc1 1427736 DEZIWMAJDIWJFD-UHFFFAOYSA-N 376.456 4.875 0 50 GJAA CCCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc(C)c1C 2091153 DWRUOAMBGWEXSP-UHFFFAOYSA-N 381.881 4.603 0 50 GJAA CCc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 2843740 KTBPQQYECIRJLK-ROUUACIJSA-N 383.293 4.749 0 50 GJAA O=C(/C=C/c1ccccc1)N[C@@H](Sc1ccccn1)C(Cl)(Cl)Cl 3121607 ASUUWJZQXZZQMW-FEAKQIBJSA-N 387.719 4.700 0 50 GJAA O=C1OC(c2cccs2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 5052207 VZLAZNQNOMJANK-PDGQHHTCSA-N 379.412 4.811 0 50 GJAA Cc1cc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccccn3)no2)cc(C)c1Cl 11874407 UNBPGJQOCRPQRU-HNNXBMFYSA-N 399.878 4.752 0 50 GJAA CCn1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)cn1 11934363 VDUPRNRAUDWRRX-QFIPXVFZSA-N 376.504 4.704 0 50 GJAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2occc2C)O3)cc1 12148724 QZNHOFBGPMDGRM-SFHVURJKSA-N 379.481 4.710 0 50 GJAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)N3CCC[C@@]23C1=O 12459658 NSMOHSPTSIUGFI-LEDOBFOHSA-N 395.572 4.513 0 50 GJAA Cc1ncoc1C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 12479015 ANOXTXUAMYSCBU-GOSISDBHSA-N 392.430 4.524 0 50 GJAA Cc1cccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c1 12750679 YGCPIEQOAOYZFN-UHFFFAOYSA-N 388.515 4.589 0 50 GJAA O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCc3ccccc3C2)cc1 19973438 HXXCBPMIZZMIDY-UHFFFAOYSA-N 378.422 4.775 0 50 GJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 71575473 RRTSDXBIKARFRL-GOSISDBHSA-N 389.499 4.576 0 50 GJAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1cccc(C)c1 129768422 YVIOIDXOMGYBOS-SFHVURJKSA-N 391.475 4.598 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C1=COCCO1 130276749 UFOOHDMYNJWIGB-UHFFFAOYSA-N 395.434 4.558 0 50 GJAA Fc1ccc([C@H]2CN(Cc3ccc(OCc4ccncc4)cc3)CCO2)c(F)c1 187296342 PKCIMYWQOOULKT-HSZRJFAPSA-N 396.437 4.512 0 50 GJAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C 230045636 HDLRFHJYLSKLMU-YIOREZLVSA-N 376.537 4.545 0 50 GJAA Cc1ccc(-c2cccnc2)cc1NC(=O)c1cnc(-c2ccsc2)s1 241435146 NLBXBZLLOXIQRR-UHFFFAOYSA-N 377.494 5.494 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@@H](O)C(=O)[C@]12C 257356336 HMBVCMJDBNVJOK-XAYXUHSGSA-N 390.564 4.686 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257356729 JYBLPRVSUYUPPM-MAEUBKMUSA-N 385.592 4.878 0 50 GJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C/C=C/c2ccco2)C3)cc1 299774240 CIDPIDQNDAUNMM-HWKANZROSA-N 391.467 4.872 0 50 GJAA COCCN(Cc1cccs1)C(=O)c1ccc(-c2cc(C)nc(C)c2)cc1 426578560 HJWRQRIEQBYFQA-UHFFFAOYSA-N 380.513 4.716 0 50 GJAA O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@@H]1CCO 429653124 MIHZPLUZVLMHRE-MRXNPFEDSA-N 394.393 4.876 0 50 GJAA Clc1ccc2nc(C3CC3)cc(-c3nc(-c4cnc5cnccn45)no3)c2c1 445644607 ICPNWEKKFUAPHA-UHFFFAOYSA-N 388.818 4.525 0 50 GJAA O=C(NCCc1ccc(F)c(F)c1F)N1CCCC[C@@H]1c1ccc(F)cc1F 1312362249 XRAMUCFFKOEHSU-QGZVFWFLSA-N 398.375 4.861 0 50 GJAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 1506419598 GJBBAQFMHDBDSD-UHFFFAOYSA-N 385.817 4.514 0 50 GJAA C[C@@H](COc1ccccc1)OC(=O)/C=C/c1ccc(OCc2cccnc2)cc1 2325729301 OVJSSFJFUURZNJ-VUVZNRFTSA-N 389.451 4.685 0 50 GJAA CC1(C)C[C@@H](C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CCO1 627729 KCFPWFWFSQXBOD-KRWDZBQOSA-N 392.451 4.613 0 50 GJAA biogenic Cc1cccc(O[C@@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1 825891 GWEGVFYTZFVCMN-OAHLLOKOSA-N 388.678 4.997 0 50 GJAA Cc1ccc(Cn2nc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c2C)cc1 1019112 QKAOZKGRGUDMBZ-UHFFFAOYSA-N 377.488 4.896 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(Br)c1 1164123 FLXRGODYVHXWEX-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA O=C(CCCSc1nnnn1-c1cccc2ccccc12)c1ccc(F)cc1 2998932 GSBIVPBIHYFVTQ-UHFFFAOYSA-N 392.459 4.710 0 50 GJAA CCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 4738617 GAYBOKIUUBGTRG-UHFFFAOYSA-N 393.918 4.887 0 50 GJAA O=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 4808992 NQNWMKFSEWSYBJ-UHFFFAOYSA-N 388.448 4.586 0 50 GJAA Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3c(F)cc(F)cc3c2=O)cc1 4936819 BFHFGWHSHXAVMQ-UHFFFAOYSA-N 389.401 4.867 0 50 GJAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSc1ccccc1 7759463 VPQRTJOFEIKPQT-UHFFFAOYSA-N 387.892 4.531 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3nccn3C)c(-c3ccccc3)n2)c1 11935306 MJSIWRBYXJPERB-UHFFFAOYSA-N 385.515 4.522 0 50 GJAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2C)cc1 12027532 VHMRTKUQMXJKBB-VWLOTQADSA-N 384.527 4.920 0 50 GJAA CCc1c(C)sc(NC(=O)c2cccnc2)c1C(=O)Nc1ccccc1OC 13329336 YOGSSXGHTQKTGZ-UHFFFAOYSA-N 395.484 4.527 0 50 GJAA COc1ccc(F)c(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)c1 15076065 YKFDYNIISANDGW-NRFANRHFSA-N 381.451 4.920 0 50 GJAA CCOc1ccc(CCn2c(C)nc(=O)c(-c3ccccc3)c2C)cc1OCC 22033500 XTRHMPIPKVQTIU-UHFFFAOYSA-N 392.499 4.567 0 50 GJAA CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](c2ccncc2)c2ccccc2C)c1 55359351 XGYUGWZCVKRJOZ-NRFANRHFSA-N 393.874 4.521 0 50 GJAA CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@@H]3C)c2C)cn1 63847794 IVCPEXJDFQMRCA-INIZCTEOSA-N 376.504 4.750 0 50 GJAA CCNC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccccc2C)CC1 65500783 IMTNRAWSHJBOLR-UHFFFAOYSA-N 388.515 4.892 0 50 GJAA Cc1ccc(C)c(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1 67850076 JYYCOFDRXVKURT-UHFFFAOYSA-N 376.504 4.505 0 50 GJAA CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 112919749 PCQYHFWVLXMGLM-GOSISDBHSA-N 388.920 4.580 0 50 GJAA CC(C)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 170620507 DEEDJDOMCYGHIV-UHFFFAOYSA-N 390.327 4.827 0 50 GJAA CN(Cc1ccc2ncccc2c1)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 216002399 DGLPHFCXDBFWSS-HSZRJFAPSA-N 391.490 4.560 0 50 GJAA Cc1ccc([C@@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)s1 299755663 BKIVFTYCAYOMCT-SFHVURJKSA-N 383.494 4.604 0 50 GJAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303651925 BHSJEDGCHMFENA-YFVAEKQCSA-N 386.499 4.728 0 50 GJAA CC[C@@H](NCc1cc2ccc(C)cc2nc1N1CCOCC1)c1cccs1 952976078 HPSUQXQWEYDAEY-LJQANCHMSA-N 381.545 4.682 0 50 GJAA N[C@@H]1C[C@H](NCC2(c3cccc(Br)c3)CCCC2)c2ccccc21 1875344410 KBOSETSSJLHRBA-UXHICEINSA-N 385.349 4.995 0 50 GJAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)c1 687059 CACIYJUTHOEMOU-ZDUSSCGKSA-N 387.501 4.699 0 50 GJAA COc1cc(Br)cc(/C=C/C(=O)Nc2ccc(Cl)cc2)c1OC 2546580 NXWXOCARUNQLPY-FPYGCLRLSA-N 396.668 4.772 0 50 GJAA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 9040964 HYBQILQPKIVEHZ-QHCPKHFHSA-N 399.425 4.974 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)C1 12336545 KKYVRPWWYUVUPJ-GOSISDBHSA-N 388.291 4.638 0 50 GJAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccccc1Cl 12712957 ZEMBJSPVJOFARC-KRWDZBQOSA-N 388.914 4.506 0 50 GJAA CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 66136428 UYYRGUHHPKHWTR-IBGZPJMESA-N 390.449 4.576 0 50 GJAA Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)sc2c1 100966857 PXAAFEPLENPVFH-CALCHBBNSA-N 376.481 4.951 0 50 GJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(c2ccn[nH]2)CC1 152971846 YNFFLSUEKYPYLX-UHFFFAOYSA-N 397.866 4.662 0 50 GJAA Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 170634369 GNXQSJFVZXSUAV-FQEVSTJZSA-N 376.456 4.701 0 50 GJAA Cc1ccc(S(=O)(=O)C2=C([Si](C)(C)C)[C@H]3C[C@H]2[C@@H]2[C@H]4C=C[C@@H](C4)[C@@H]32)cc1 252427838 ICWLQQYPCCHARK-MWTXUKJESA-N 384.617 4.988 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)C5N=N5)[C@@]4(C)CC[C@H]32)C1 253488298 AEBXALXJAASRTA-QTUCHGCSSA-N 384.520 4.858 0 50 GJAA CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)cc1 766238766 WBNCMCBALDKBSK-INIZCTEOSA-N 397.475 4.505 0 50 GJAA COc1ccc(CCCC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cc1 824662325 LNRWZQOTOCLVRC-JOCHJYFZSA-N 383.488 4.605 0 50 GJAA CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 1464291266 QIJWHNFXUNJUGD-UHFFFAOYSA-N 378.234 4.795 0 50 GJAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Nc3cccc(Cl)c3Cl)C1)CC2 1704337701 YLYMKYCCGJPVTN-LJQANCHMSA-N 391.302 4.604 0 50 GJAA Cc1cc(O)c(C2=NCCS[C@@H](c3cccc(Cl)c3Cl)C2)c(=O)o1 754265 SFSCAGQRMBODQY-CQSZACIVSA-N 384.284 4.628 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 1216664 XVEVFSVMGGMPOR-UHFFFAOYSA-N 389.274 4.590 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 2134864 UARPYCOFYRNWGC-UHFFFAOYSA-N 376.250 4.577 0 50 GJAA Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1ccco1)C3 2338431 ZSIJRWQPTAZBHQ-CQSZACIVSA-N 377.831 4.864 0 50 GJAA Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1 2873846 WFVJAXARMSVUAD-UHFFFAOYSA-N 386.426 4.959 0 50 GJAA COc1cccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 11955182 KSWCMCAPCWCSKK-GOSISDBHSA-N 396.487 4.609 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c23)no1 13641263 KYGCSLOIGDHNBC-UHFFFAOYSA-N 386.367 4.699 0 50 GJAA Fc1ccc([C@@H]2CCCCN2Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 19219714 HSWZTMNIKWDZGP-IBGZPJMESA-N 379.435 4.672 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)cc1OC 19732399 SHIKDDIGPMZTFR-HXUWFJFHSA-N 391.515 4.782 0 50 GJAA CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccn4)CC3)ccc21 19789299 CBOMXXFCRBELTA-UHFFFAOYSA-N 384.527 4.527 0 50 GJAA C[C@@H](NC1CCN(c2cccc(-c3cccc(F)c3)c2)CC1)c1ccncn1 20118573 RWABOMAEASWVMW-QGZVFWFLSA-N 376.479 4.602 0 50 GJAA Cc1cccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3cccc(C)c3C)n2)c1C 20617549 TXIITTGVUBWMQQ-GOSISDBHSA-N 390.487 4.569 0 50 GJAA CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 170599576 STHRWXTXQHQYEQ-MLGOLLRUSA-N 376.909 4.914 0 50 GJAA CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 252457166 ILIQCPUJGFTWBR-CEXWTWQISA-N 387.524 4.531 0 50 GJAA Cc1cc(F)ccc1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 485886241 AGLQWSBUBASWSG-DLBZAZTESA-N 381.369 4.795 0 50 GJAA C[C@H](N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)c1ccc(C(F)F)nc1 888101141 IJNCAUYOHIHFHK-IQUTYRLHSA-N 391.437 4.561 0 50 GJAA COc1ccc(NC2(C(=O)N3CCC[C@H]3c3ccccn3)CCCCC2)cc1 952968848 DWFNEPGSHQYFIP-NRFANRHFSA-N 379.504 4.569 0 50 GJAA c1cncc(-c2nc3c(c(N4CCC[C@@H](c5cc6ccccc6[nH]5)C4)n2)CCC3)c1 1875339681 TXQQFRLADWDONX-LJQANCHMSA-N 395.510 4.893 0 50 GJAA CCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 632248 AESRNHRINLCZHF-UHFFFAOYSA-N 384.819 4.732 0 50 GJAA CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 819806 LCBFXMOUQDKVKK-UHFFFAOYSA-N 398.462 4.540 0 50 GJAA O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 893582 NSSPMISCNVQQCJ-UHFFFAOYSA-N 385.798 4.966 0 50 GJAA CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 1182864 CIKYCHKKFCATHX-UHFFFAOYSA-N 380.872 4.609 0 50 GJAA CCc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 2874687 AQZAMHMYPMCDJZ-MRXNPFEDSA-N 394.418 4.709 0 50 GJAA O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2oc(CCc3ccccc3)nc2c1 11873348 LLNALJSTDVDLAP-LEWJYISDSA-N 382.463 4.899 0 50 GJAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(C(C)C)cc2)CC1 12196186 FLGYPJTZWIXCJM-UHFFFAOYSA-N 395.591 4.566 0 50 GJAA O=C1CC[C@@H](CCNCc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1F 12210584 SZCOXNOAEXXBHO-SFHVURJKSA-N 394.412 4.515 0 50 GJAA Cc1nonc1[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 15962197 USZJGQIGUVISAW-NRFANRHFSA-N 385.471 4.772 0 50 GJAA CCCc1c(OC[C@H](O)CSc2ccc(Cl)cc2)ccc(C(C)=O)c1O 45068810 TWANLMMFEGTWCN-HNNXBMFYSA-N 394.920 4.733 0 50 GJAA OCc1cc2ccccc2nc1N1CCC(c2n[nH]cc2-c2ccccc2)CC1 67641818 KYPHHNXJSXTLNL-UHFFFAOYSA-N 384.483 4.501 0 50 GJAA CC(C)n1ccnc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67642665 IVZKAMMMSXFFDC-UHFFFAOYSA-N 397.906 4.885 0 50 GJAA Cc1nc2cc(OCc3cc(C(=O)N(C)[C@H](C)c4ccco4)no3)ccc2s1 67678790 RFONZJMWGTVMDK-GFCCVEGCSA-N 397.456 4.598 0 50 GJAA CCc1ccc(-c2cn3c(C(=O)N(C)[C@@H](C)c4ccccn4)csc3n2)cc1 67850063 TXQUBTSOBUDNAY-HNNXBMFYSA-N 390.512 4.853 0 50 GJAA Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71551769 GMIBKZSNOLHVQW-OAHLLOKOSA-N 380.410 4.795 0 50 GJAA C[C@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccccc1-c1ccco1 71765215 KYUQKWFZFRFZBP-OAHLLOKOSA-N 383.411 4.864 0 50 GJAA COc1ccc(CCCC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cc1 824662326 LNRWZQOTOCLVRC-QFIPXVFZSA-N 383.488 4.605 0 50 GJAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(-c2ccccc2)ccn1 1875311256 RSONWYBXKHNGRZ-NRFANRHFSA-N 384.439 4.729 0 50 GJAA CCCn1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 1875338496 ZJIHRUHGFVJWSD-UHFFFAOYSA-N 389.528 4.757 0 50 GJAA CCOC(=O)c1c(C)n(-c2ccccc2OC)c2c1cc(O)c1ccccc12 708729 UBHQXYXRTLEAAP-UHFFFAOYSA-N 375.424 4.983 0 50 GJAA biogenic COc1ccc(-c2csc3ncn(Cc4cccc(Cl)c4)c(=O)c23)cc1 951915 NEJFCYZZVNWZGC-UHFFFAOYSA-N 382.872 4.835 0 50 GJAA O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1SCc1ccccc1 1109381 VOMCIQDADOVMPY-UHFFFAOYSA-N 375.453 4.713 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 1144035 GICMYKYJNLAYRD-UHFFFAOYSA-N 386.455 4.607 0 50 GJAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 1178061 WDOYPMJHNQZBQD-UHFFFAOYSA-N 377.307 4.699 0 50 GJAA COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(C)=O)ccc3c2=O)cc1 1218894 MDXMDYGYHZXZNK-UHFFFAOYSA-N 394.301 4.538 0 50 GJAA biogenic Cc1cc(C)c(C)c(OC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1 4043348 PZURDUUTXLANDF-UHFFFAOYSA-N 376.239 4.668 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 4828526 DRJGQJLRFQWEKT-XNRPHZJLSA-N 396.413 4.541 0 50 GJAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 4881135 SZZDQIUNADTHQL-UHFFFAOYSA-N 396.447 4.656 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 12195030 ZKWVHUDJPUOCQD-OAQYLSRUSA-N 376.544 4.968 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(CC=C(C)C)C2)cc1 15080615 UZGIRCKOGMWGPF-HXUWFJFHSA-N 378.516 4.979 0 50 GJAA COCC1CCN(C(=O)N[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 112454679 OQNOEXJIHHJNSE-INIZCTEOSA-N 387.549 4.556 0 50 GJAA COc1ccc(N(C(=O)c2sc(NC(=O)C3CC3)cc2C)[C@@H](C)C2CC2)cc1 119556823 NRLVGFLPRCRBHL-AWEZNQCLSA-N 398.528 4.859 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2scnc2C)cc1 253417875 KPMPNKYDPRTILB-UHFFFAOYSA-N 390.468 4.565 0 50 GJAA COc1cc(CN(C(=O)c2cccc(-c3cccc(C)n3)c2)C2CC2)ccc1O 299763842 FLHRTXVTTHXSJS-UHFFFAOYSA-N 388.467 4.576 0 50 GJAA C[C@@H](CN1CCCC1)NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1 299788109 QBRJALJERWMXPU-HNNXBMFYSA-N 376.422 4.587 0 50 GJAA FC(F)c1nc2cccc(-c3nc(CC4CC4)nn3Cc3cccnc3)c2s1 1875336426 ZQOIXWHDFZNAMN-UHFFFAOYSA-N 397.454 4.888 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1I 834155 DTWQRJYEWQONDZ-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA COc1ccc(N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 939591 QKSSLWPCGDOTIR-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA CCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1 1138992 QEPPSLFNWLOREA-UHFFFAOYSA-N 390.468 4.577 0 50 GJAA COc1ccc(C(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)cc1 1432831 GRVBVXJBDVDGSI-UHFFFAOYSA-N 377.828 4.501 0 50 GJAA CCCC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4735567 VKWPPMQYRPZJIG-FQEVSTJZSA-N 379.435 4.808 0 50 GJAA O=C(NC(=S)Nc1cccc2ccc(O)cc12)c1ccc(Cl)cc1Cl 5581527 BIGHPNWDKMLDJS-UHFFFAOYSA-N 391.279 4.979 0 50 GJAA CC(C)Cn1c(S)nnc1COc1ccc2cc(Br)ccc2c1 6883846 AIVWDGANJJRBTL-UHFFFAOYSA-N 392.322 4.718 0 50 GJAA COc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 11842471 SWJCBQXEIDBXBI-HNNXBMFYSA-N 396.487 4.869 0 50 GJAA COc1cc(OC)c(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1Cl 13745062 WKTDYYGNLIEYPE-MRVPVSSYSA-N 375.277 4.955 0 50 GJAA COc1ccc(N2C3=[N+](CCCC3)C[C@]2(O)c2ccc(-c3ccccc3)cc2)cc1 13774047 PGMBPHYJDIQGQC-SANMLTNESA-N 399.514 4.622 0 50 GJAA CCOc1ccc(-n2c(S)nnc2CCSCc2cccc(F)c2)cc1 17079523 ZCQPVQQCDXLVCT-UHFFFAOYSA-N 389.521 4.570 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc(C(C)C)[nH]n2)n1 20293652 KVJPAZKHZZCXGP-DEOSSOPVSA-N 385.515 4.866 0 50 GJAA O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccc(Cl)s2)CC1 20467242 NOOBXYPEDJKFDQ-UHFFFAOYSA-N 385.920 4.904 0 50 GJAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 42489178 FHDUBMBAUPBRNH-INIZCTEOSA-N 383.442 4.743 0 50 GJAA COCc1c(Cl)cccc1NC(=O)c1cccc(-n2ccnc2SC)c1 123388008 CSXTWIBNLRZQOW-UHFFFAOYSA-N 387.892 4.646 0 50 GJAA Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)sc2cccc(F)c12 155270597 IVEISJGKIMBXBE-OAHLLOKOSA-N 397.519 4.699 0 50 GJAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 187477641 RIRCNVFECFVUMA-CQSZACIVSA-N 389.446 4.584 0 50 GJAA Oc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 215850568 NKPSUGDJZJPEQC-UHFFFAOYSA-N 394.066 4.770 0 50 GJAA COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 247951194 LUHKAFLEPLFVGB-NDEPHWFRSA-N 396.439 4.869 0 50 GJAA C[C@@H](CC(=O)NC[C@@]1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 731366710 BDYZDVOLLODNDE-BTYIYWSLSA-N 391.433 4.539 0 50 GJAA Brc1csc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 820332140 GHTMVGIFRBCEFG-ZWKOTPCHSA-N 383.399 4.740 0 50 GJAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c12 888090518 GCIQXPTYIJUMMV-KWJFTMPMSA-N 381.520 4.989 0 50 GJAA C[C@H](N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(C(F)F)nc1 888101140 IJNCAUYOHIHFHK-CKFHNAJUSA-N 391.437 4.561 0 50 GJAA CC(C)Cn1nc(-c2cccc(F)c2)nc1[C@@H]1CCC(=O)N(c2ccccc2)C1 1875348637 XNJGFVMIEBGPLJ-GOSISDBHSA-N 392.478 4.651 0 50 GJAA COc1ccc(CCNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC 820002 JYFNCZIZBCERDI-UHFFFAOYSA-N 389.495 4.585 0 50 GJAA COc1cc(CO)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1147014 PBYSVMCKAMXKCA-UHFFFAOYSA-N 392.076 4.836 0 50 GJAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1Br 1154821 WYNQVUHZIMDIQW-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA O=C(Nc1ccc(F)c(F)c1)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 1188000 QIUGKJVQTJBBBM-UHFFFAOYSA-N 388.320 4.748 0 50 GJAA O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(F)cc1 2866247 AAQMJBJUYHBMGA-UHFFFAOYSA-N 386.224 4.979 0 50 GJAA O=C(NCCCc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccco1 4386838 VZSMBNHAWSYBPB-UHFFFAOYSA-N 393.874 4.694 0 50 GJAA COc1cccc(NC(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 4676987 VUOABMNFXPWDMW-UHFFFAOYSA-N 384.505 4.659 0 50 GJAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccco1 5050522 GIOMMWWUFMAIFD-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(CC)cc3)=NN12 6043273 QNJTVHQIEKBPGZ-QHCPKHFHSA-N 389.543 4.995 0 50 GJAA Cc1ccc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cc1C 12613001 KQCZCIKDZYAWFQ-UHFFFAOYSA-N 378.560 4.954 0 50 GJAA COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1OC 13427579 MUJFEBDHDMUXDH-VGSWGCGISA-N 376.412 4.539 0 50 GJAA Cn1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)cn1 20515770 OWWKQXZJYTZLLN-JOCHJYFZSA-N 376.891 4.703 0 50 GJAA CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccc3occc3c2)s1 20572441 ROBBHUOWEOQFDY-INIZCTEOSA-N 382.485 4.611 0 50 GJAA O=C(CCc1ccco1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67447046 UVPGVKJLPXKASO-UHFFFAOYSA-N 397.858 4.659 0 50 GJAA Fc1cccc(CN2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F 72164639 AGVKIXKFLYWSRF-QFIPXVFZSA-N 383.442 4.599 0 50 GJAA Cc1cc(-n2ccnc2[C@H]2CCOC(C)(C)C2)ccc1NC(=O)c1ccco1 77519928 SNJWDGDJKLQRML-INIZCTEOSA-N 379.460 4.699 0 50 GJAA O=C(CCSc1ccc(F)cc1)N1CCC[C@H](Cn2cnc3ccccc32)C1 170600584 YEZUIXVKFNHWJJ-KRWDZBQOSA-N 397.519 4.596 0 50 GJAA Cc1ccc(NC(=O)Cc2nc(CN3CC[C@H]4CCCC[C@H]4C3)cs2)cc1 248010739 YADUZOYLRIBXLG-MSOLQXFVSA-N 383.561 4.645 0 50 GJAA Cc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1C 263617090 MAIZWOJLFGHGEW-LJQANCHMSA-N 390.418 4.628 0 50 GJAA O=C(c1cc(O)nc2cc(F)ccc12)N1C[C@H](c2ccccc2)c2ccccc21 436276334 SKQWUZCYFDRBCX-HXUWFJFHSA-N 384.410 4.872 0 50 GJAA Cc1cc(Cl)ccc1CN1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 864012867 DVDGGPDPRISYCX-OAHLLOKOSA-N 377.315 4.884 0 50 GJAA C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 915490835 XTQAZURKGSAIGU-JKSUJKDBSA-N 386.451 4.744 0 50 GJAA CC1(C)C[C@@](C)(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1857783210 YTYLKIUALBSMNF-HSZRJFAPSA-N 379.456 4.511 0 50 GJAA CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)c(Cl)c2)cc1 1176142 DUMJDPCZDDZDLE-UHFFFAOYSA-N 383.300 4.657 0 50 GJAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2Cl)cc1 3623785 OPCIPTMOZIXPGV-QGZVFWFLSA-N 396.270 4.728 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 4911684 OYOSHGSYBNARND-SFHVURJKSA-N 375.424 4.970 0 50 GJAA CCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 5101186 LKSWZKSXTALPGW-UHFFFAOYSA-N 388.895 4.608 0 50 GJAA c1ccc(-c2cn[nH]c2C2CCN(Cc3cccn3-c3ccccn3)CC2)cc1 11911998 GRMPBFAGCXSPKH-UHFFFAOYSA-N 383.499 4.642 0 50 GJAA O=C(CCc1cccs1)N1CCC[C@@H]2CN(C/C=C/c3ccccc3)CC[C@H]21 11997938 IWTUQGWYVWILEK-BVVMBPAVSA-N 394.584 4.707 0 50 GJAA O=C(Nc1nnc(CSCc2ccccc2F)s1)Nc1ccccc1F 16956373 GXQCMKWSBQSUHZ-UHFFFAOYSA-N 392.456 4.894 0 50 GJAA Cc1ccccc1-c1cccc(NC(=O)N(C)CCc2noc(C3CC3)n2)c1 96137917 DWGTXQJOIMWPBA-UHFFFAOYSA-N 376.460 4.629 0 50 GJAA C[C@H](C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112971392 YNELJETWNMPEEH-OXQOHEQNSA-N 383.488 4.900 0 50 GJAA in-vitro Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2ccc(Cl)cc2)n1 169752823 OKIRQHLPKJIXRG-UHFFFAOYSA-N 395.890 4.634 0 50 GJAA CCN(C(=O)[C@@H](C)OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 221952427 WJHPPSCGTRECCL-VQHMHIIYSA-N 389.923 4.549 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C[C@H](C(C)C)O1 1857712216 MZNWTXVVTVAQJN-YLJYHZDGSA-N 389.927 4.786 0 50 GJAA CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 1875255849 QDEKDAUDZPQBDZ-FQEVSTJZSA-N 398.572 4.902 0 50 GJAA Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2nc3ccccc3n2C)n1 1018962 SIWFNEMVDTYWFP-UHFFFAOYSA-N 387.487 4.617 0 50 GJAA Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1 1193242 UQWRZKDYNOSBOC-UYRXBGFRSA-N 375.449 4.980 0 50 GJAA Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccccc4)cc3O)nc2c1 1207353 MOXAUQBOYSHDPW-UHFFFAOYSA-N 388.423 4.835 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(C)c(C)c3)s2)cc1 1301469 PYZIVSHMEDLJFX-UHFFFAOYSA-N 398.488 4.777 0 50 GJAA Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2443741 PPBLXGYJDVVPOV-UHFFFAOYSA-N 393.299 4.520 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 2851775 XTXBLLWSZXKVGS-UHFFFAOYSA-N 383.517 4.559 0 50 GJAA Cc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 4734065 NQHMZEDXMPWAHY-UHFFFAOYSA-N 386.455 4.836 0 50 GJAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc(N(C)C)c1 4838218 XCXKAJHPHMJNTE-UHFFFAOYSA-N 382.467 4.924 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3ccccc3)n2)c1 12025590 SBVYVSUDEFVVOO-UHFFFAOYSA-N 385.515 4.554 0 50 GJAA Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 12613119 UNOHTGJVAHSCML-HXUWFJFHSA-N 392.524 4.659 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)cc1 12704652 GRFSCBVCSTWTKJ-LJQANCHMSA-N 390.483 4.806 0 50 GJAA COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(Br)c2)cc1 15300745 FFYQNOPSRLZKIQ-SFHVURJKSA-N 376.294 4.803 0 50 GJAA Fc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19842749 KTIAFSWPEJLWHW-UHFFFAOYSA-N 390.527 4.908 0 50 GJAA Fc1cccc2ccc(CN[C@H]3CCCN(CCCc4ccccc4)C3)nc12 20598364 JDJKPTIYBHLXOM-QFIPXVFZSA-N 377.507 4.561 0 50 GJAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(C)s3)nc21 20603634 ZIWKEIKCDIFEOM-UHFFFAOYSA-N 391.443 4.846 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@H]1CCSC1)CC2 22023306 ZAYLDBJBXASQCG-UWJYYQICSA-N 389.948 4.810 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 23129843 FQPNSEHHOMCZDP-HNNXBMFYSA-N 387.405 4.677 0 50 GJAA COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1Cl 38670837 PIDGPCXOBIQBPF-UHFFFAOYSA-N 384.823 4.883 0 50 GJAA CC(C)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 54263429 OTQWHPZGSDRJBA-RMKNXTFCSA-N 379.573 4.838 0 50 GJAA O=C(Nc1ccccc1Cl)N1CCC(n2cc(C3CCCCC3)nn2)CC1 55384693 NFIRZEZMBRHZDU-UHFFFAOYSA-N 387.915 4.848 0 50 GJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2ccc(NC(=O)C3CCC3)cc2)no1 65376285 LMEOQCGGTKPIMH-LJQANCHMSA-N 381.476 4.514 0 50 GJAA CC(C)N1C[C@]2(CCCN(c3nc4ccc(Cl)cc4s3)C2)CCC1=O 77451951 SGDJHXIQWPDNSQ-LJQANCHMSA-N 377.941 4.567 0 50 GJAA O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 100523099 PAXQRNUAUHOIED-AWEZNQCLSA-N 396.693 4.527 0 50 GJAA O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 169759779 PGZMDIVXUYMSEJ-GOSISDBHSA-N 388.254 4.714 0 50 GJAA Cc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3F)C4)n2)cc1C 263616574 JLWLFAFLHDKMNC-IBGZPJMESA-N 390.418 4.628 0 50 GJAA CC[C@H]1COCCN1C(=O)c1cccc(-c2ccnc3ccc(Cl)cc23)c1 534662677 NSQUAUSRXJDBKS-SFHVURJKSA-N 380.875 4.806 0 50 GJAA O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1c(F)cc(F)cc1F 1776002391 DKZVHCZZDIIHRO-UHFFFAOYSA-N 391.349 4.872 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3c(C)nn(C(C)C)c3C)C2=O)cc1 2356135604 LVXYTVSWSZWVCA-DEOSSOPVSA-N 394.563 4.551 0 50 GJAA O=S(=O)(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 752207 HGIBMAAESHPIRL-UHFFFAOYSA-N 388.286 4.917 0 50 GJAA COc1ccc(OC)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 869319 JUKWEFUQZISAKK-UHFFFAOYSA-N 390.798 4.712 0 50 GJAA NC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCCCCC2 996128 BMUIBUTWXWSWHR-ZHACJKMWSA-N 388.920 4.811 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 1185966 JWVVQXFWYBDYDN-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 1189491 DHEFBODRLLCPHL-GXDHUFHOSA-N 397.839 4.686 0 50 GJAA COc1ccc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)cc1 2261521 YPRMXZAZUUYLSB-UHFFFAOYSA-N 388.492 4.995 0 50 GJAA O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2567343 UTJZEJWGYKUDBS-UHFFFAOYSA-N 379.456 4.655 0 50 GJAA COc1ccc(CNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 4026917 PHQBWVFXRVFTIG-DEOSSOPVSA-N 383.532 4.711 0 50 GJAA biogenic Cc1ccc(-n2cc(CN[C@H](C)c3cnn(C)c3)c(-c3cccc(C)c3)n2)cc1 11816672 YRXWMSOASXJRRO-LJQANCHMSA-N 385.515 4.740 0 50 GJAA CCCN1C(=O)Oc2ccccc2[C@@H]1O[C@@H]1c2ccccc2OC(=O)N1CCC 12411108 YJWNGCLKYXDQRE-BGYRXZFFSA-N 396.443 4.849 0 50 GJAA COc1cccc(C(=O)[C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)c1 15961855 INFSZTWDDDDSMS-IBGZPJMESA-N 381.520 4.561 0 50 GJAA Fc1ccc(F)c([C@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 19789045 LVGAMXBAAISRSS-QHCPKHFHSA-N 392.453 4.680 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71752714 HDAHNLBDNLKTJF-INIZCTEOSA-N 395.453 4.840 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 95504351 IRQCXQBMBUQWAE-UHFFFAOYSA-N 385.817 4.595 0 50 GJAA Cc1ccc(CSc2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)NC3)cc1 97600995 NPWKWRKPAPAJNF-OALUTQOASA-N 381.545 4.503 0 50 GJAA CC(C)(CCC(=O)O)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 170675980 GLEONLDPXFUPNQ-UHFFFAOYSA-N 397.258 4.554 0 50 GJAA COc1ccc(CNCC[C@@H]2[C@H](C)CN(C)[C@H](C)[C@H]2Cc2ccccc2)cc1 245232585 YGTJKNIFCYOPGW-GQUJEBGOSA-N 380.576 4.620 0 50 GJAA COc1ccccc1-c1ncc(CN2CCCC[C@H]2CCn2ccnc2C)s1 952990252 LRWOXWWMQGEFFR-SFHVURJKSA-N 396.560 4.768 0 50 GJAA Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1C 692425 IRARNDBUDHGVBC-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2ccccc2)C1 970524 VRGXSGOVPDSXOJ-ZDUSSCGKSA-N 380.469 4.971 0 50 GJAA O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCc1ccccc1 1052912 AWQDXMCXLPGDBO-UHFFFAOYSA-N 396.493 4.848 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(Br)cc1 1121397 KSYBKCFSKJWGNZ-UHFFFAOYSA-N 390.060 4.878 0 50 GJAA NC(=O)c1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 1124194 BNEZXDAFGZOGAS-UHFFFAOYSA-N 375.211 4.605 0 50 GJAA COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O 1124430 QHUZKFSODAIFHR-UHFFFAOYSA-N 392.363 4.715 0 50 GJAA biogenic O=C1c2ccccc2SCC12COC(c1cccc(C(F)(F)F)c1)OC2 1400255 RKUTZMOUEHOTGF-UHFFFAOYSA-N 380.387 4.726 0 50 GJAA CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1Cl 4510533 ASPJIYNHLTZHRM-GOSISDBHSA-N 375.896 4.586 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3OC)cc2)cc1 4838818 CSVYLJGEPFQLDF-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA COc1cccc(-c2nc3ccc(C(=O)N(C)Cc4ccc(C)o4)cc3o2)c1 12075145 PDUXEELXNVYUAY-UHFFFAOYSA-N 376.412 4.677 0 50 GJAA CC(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 12453070 VOOPQPNNRTXNBF-CYBMUJFWSA-N 392.956 4.790 0 50 GJAA CCN(Cc1cccc(C(C)=O)c1)CC1CCN(CCc2ccccc2C)CC1 14950159 SQEAKGKDDIXOTH-UHFFFAOYSA-N 392.587 4.974 0 50 GJAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 14995109 LKRGMXNAZRKRIZ-KRWDZBQOSA-N 394.544 4.970 0 50 GJAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 20603175 AYZATBLDZCTOJE-UHFFFAOYSA-N 389.377 4.616 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@@H](CO)C1 72433515 VXFVSYZOKZXGSB-MRXNPFEDSA-N 396.918 4.768 0 50 GJAA Cc1cccnc1[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CC1 95388456 RHUOWPXQKJKFFB-DEOSSOPVSA-N 394.478 4.881 0 50 GJAA O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1nc2ccccn2c1F 170650304 IDGXKENDCBGHEP-UHFFFAOYSA-N 385.320 4.810 0 50 GJAA Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc3ccccc3c2O)n1 170655727 OXKPOGMWDFRFFW-UHFFFAOYSA-N 397.478 4.795 0 50 GJAA CSCC[C@@H](NC(=O)c1nc(C)sc1C(C)C)c1nc2ccccc2[nH]1 223228598 ZEHISNAOMQLGET-OAHLLOKOSA-N 388.562 4.675 0 50 GJAA CCNC(=O)N(C)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225432020 MMYZBLYWQHDUNH-KRWDZBQOSA-N 397.519 4.690 0 50 GJAA CCOC(CCN[C@@H](CCCN1CCC(C)CC1)c1ccc(F)cc1)OCC 239539187 AVSJRISQEGYJLY-QFIPXVFZSA-N 394.575 4.758 0 50 GJAA COc1cc(N[C@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)cc(OC)c1 1459694761 NPEFEFDIIZMUFA-UWJYYQICSA-N 380.532 4.830 0 50 GJAA Cc1cnc(O)n1-c1cccc(-c2noc(C[C@@H](c3ccccc3)C(C)C)n2)c1 1875315996 PXPFZYLYYYZUHP-HXUWFJFHSA-N 388.471 4.919 0 50 GJAA Cc1nc2cc(-c3nc(-c4ccc(F)c(CN(C)C)c4)no3)ccc2n1C1CC1 2325736312 HTJZYPYKRQCJEA-UHFFFAOYSA-N 391.450 4.597 0 50 GJAA Cc1cc(C2CCC2)ncc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822927 WZXVGDSYKGABRU-UHFFFAOYSA-N 384.907 4.995 0 50 GJAA Cc1cc(C(=O)NCc2cccc(C)c2Br)c2c(c1)[C@@H](C)CCN2 2325843163 XPCVJHQOZFWPIG-ZDUSSCGKSA-N 387.321 4.915 0 50 GJAA COC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCCCC2 647944 VCFZMNRZXKAODG-UHFFFAOYSA-N 377.893 4.638 0 50 GJAA C[C@H](NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)C1CC1 11819823 ZKOSCVAGIZZOBG-JTQLQIEISA-N 379.407 4.610 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCCc3cccs3)C2)c(C)c1 12202212 WKNDCNGSXGKHOO-QGZVFWFLSA-N 385.529 4.509 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)cc1 12709592 WULJCXBMTQPPGK-HXUWFJFHSA-N 391.540 4.689 0 50 GJAA CC(C)c1noc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 67947417 BJBORRGXNPOFFD-UHFFFAOYSA-N 399.878 4.614 0 50 GJAA COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 68805164 YKVHNZZEMUXPKW-JOCHJYFZSA-N 389.499 4.534 0 50 GJAA O=C(c1n[nH]cc1Cl)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71405651 JGJUXVHSWHTAMS-LBPRGKRZSA-N 385.817 4.567 0 50 GJAA O=C(c1ccc(N2CCC[C@@H](CCc3ccccc3)C2)nc1)N1CCCCC1 72428412 WOPNKDZQBFZUPZ-NRFANRHFSA-N 377.532 4.557 0 50 GJAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)cc2)o1 95505067 OGLTUGKOCWSFIG-GOSISDBHSA-N 376.460 4.847 0 50 GJAA O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ncoc1-c1ccccc1Cl 170640102 PGAFCBOEVASCAG-UHFFFAOYSA-N 392.194 4.734 0 50 GJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([S@](C)=O)c(F)c2)o1 170650607 KJLGXRCRAVAVHR-QMTYFTJSSA-N 378.469 4.614 0 50 GJAA CCN(Cc1coc(-c2ccc(F)cc2)n1)CC1CCN(c2ccccn2)CC1 174395450 NEPARNISLDRDCF-UHFFFAOYSA-N 394.494 4.614 0 50 GJAA O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239338713 LAIKUDSZHFFLBK-IXRFVVGDSA-N 376.686 5.274 0 50 GJAA CCn1nc(C)c(-c2cccc(C(=O)N[C@H](c3ncccc3C)C3CC3)c2)c1C 299764544 IUZQRSQUYUUZHK-QHCPKHFHSA-N 388.515 4.771 0 50 GJAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c2c(O)cccc21 469217229 DWMBQKIXYKIXEH-UHOFOFEASA-N 391.389 4.935 0 50 GJAA CC(C)c1cc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)no1 1704311563 BQMWMKQSZLGLKI-XMMPIXPASA-N 388.515 4.735 0 50 GJAA Cc1ccc(-c2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)no2)cc1 1775976760 UKLSWZLMFSXTLU-UHFFFAOYSA-N 380.791 4.606 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2ccc(F)cn2)n1 1875331624 QIZRVMXSCQAKRS-QMMMGPOBSA-N 398.619 4.827 0 50 GJAA COc1cc(Br)cc(CN2C[C@@H](C)CN(C)c3ccccc32)c1 1875349636 GTIPPPDNIRUAHW-AWEZNQCLSA-N 375.310 4.550 0 50 GJAA COc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1OC 841330 HXFJKUVQGCENGU-UHFFFAOYSA-N 390.852 4.520 0 50 GJAA CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 896302 BPLCOEHDSBBWHC-CYBMUJFWSA-N 377.271 4.547 0 50 GJAA Cc1ccc2cccc(OCC(=O)NC(c3ccccc3)c3ccccc3)c2n1 1140760 ZQVSQFXCQBXRNV-UHFFFAOYSA-N 382.463 4.828 0 50 GJAA O=C(/C=C/c1ccccc1Cl)Nc1ccccc1I 1217893 BDYLDEHKKRJAJS-MDZDMXLPSA-N 383.616 4.597 0 50 GJAA O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccccc1F 1295820 XJDNGRVBLWABPL-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA COc1ccccc1NC(=O)Nc1nnc(CSCc2ccccc2)s1 1307523 MSYZULLHXTUJNR-UHFFFAOYSA-N 386.502 4.624 0 50 GJAA CN(C)CCCCNC(=O)/C=C/c1ccccc1Sc1ccc(Cl)cc1 1552663 RVXKUSLFQCZMJA-NTEUORMPSA-N 388.964 4.962 0 50 GJAA in-vitro CCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2906544 RNBBMVPKMPWMHJ-SFHVURJKSA-N 380.473 4.552 0 50 GJAA COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 4865777 IFWWBENPXMRLED-UHFFFAOYSA-N 376.456 4.633 0 50 GJAA Cc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)cc1 6214846 LJTHYFVJPWMUJX-OAQYLSRUSA-N 389.441 4.664 0 50 GJAA COc1ccc2cc(-c3n[nH]cc3CN[C@@H](C)c3csc(C)n3)ccc2c1 11664739 XDSLVFPVGNYESJ-ZDUSSCGKSA-N 378.501 4.854 0 50 GJAA CC(C)c1cc(CNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)on1 12315205 KGGWCNQLEJTMDB-UHFFFAOYSA-N 389.455 4.654 0 50 GJAA COC(=O)C1CCN(Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1 12467401 RFEKZRMQWNWYIL-UHFFFAOYSA-N 390.483 4.702 0 50 GJAA COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1Cl 13745060 WKTDYYGNLIEYPE-QMMMGPOBSA-N 375.277 4.955 0 50 GJAA C[C@H](NC1CCN(c2cccc(-c3cccc(F)c3)c2)CC1)c1ccncn1 20118575 RWABOMAEASWVMW-KRWDZBQOSA-N 376.479 4.602 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1nc2ccc(F)cc2[nH]1 20818723 ITZPUSXCCKVZMU-UHFFFAOYSA-N 384.842 4.951 0 50 GJAA Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cnn(C(C)(C)C)c3)nc2c1C 63832197 VRULRKCAYDZBDU-UHFFFAOYSA-N 376.504 4.706 0 50 GJAA Cc1cccc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)n1 95358335 HBFWAILPDSCTKU-QFIPXVFZSA-N 375.560 4.624 0 50 GJAA Cc1oc(C(C)C)cc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220235788 HKGGKTKMEXBMOM-CWZMJNCASA-N 378.472 4.502 0 50 GJAA CC[C@H](OC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1ccc(F)cn1 1459898420 KASQZHHUONUJKW-SFHVURJKSA-N 387.842 4.985 0 50 GJAA CC(C)n1ncc2c(C(=O)O[C@@H]3CCC[C@H]3c3cccnc3)cc(C3CC3)nc21 2325743016 RFRNRGQWLRMXPL-LAUBAEHRSA-N 390.487 4.778 0 50 GJAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2Br)c1 2176441 RILRUAQVISLMPR-UHFFFAOYSA-N 376.294 4.690 0 50 GJAA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(F)c1 2978548 CZIIWYUFTYCZBK-UHFFFAOYSA-N 377.655 4.913 0 50 GJAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1Cl 4998872 LDJFALCDLYDROB-UHFFFAOYSA-N 385.678 4.736 0 50 GJAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 7405710 BZMHUOYBBBBDRQ-UHFFFAOYSA-N 379.787 4.558 0 50 GJAA COCc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)s1 12090252 ODTRAAZBYREFHF-LJQANCHMSA-N 395.528 4.504 0 50 GJAA CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 13331494 ZUMGXOFFRJAYNQ-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA Cn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1 20603002 MSPZCEKTLALREH-UHFFFAOYSA-N 383.377 4.775 0 50 GJAA CC1(C)C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 44918579 JDEGGJCTIVLWNV-NRFANRHFSA-N 378.516 4.705 0 50 GJAA O=C([C@H]1CC12CCC2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67867360 YDFRVBIDEWZSRJ-GOSISDBHSA-N 383.875 4.624 0 50 GJAA O=C(c1cccc(Oc2cnccn2)c1)N1CC2(CCCC2)c2c(F)cccc21 134658432 AIVWAOLGMNGHTA-UHFFFAOYSA-N 389.430 4.880 0 50 GJAA Cc1cc(C)n(-c2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc2F)n1 170633812 VRGAMEHDVNDBNO-UHFFFAOYSA-N 382.414 4.578 0 50 GJAA CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1 172855758 GEZSFUBXDMCFCH-MHZLTWQESA-N 399.541 4.505 0 50 GJAA C[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 239274979 BAGQROZBNZFPGW-XIJORBFASA-N 384.007 6.345 0 50 GJAA COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)ccc2c1N 334162961 JVCYMVMKJLDQIA-UHFFFAOYSA-N 375.453 4.806 0 50 GJAA CCn1cc(CN(C)C(=O)Nc2ccc(SCc3ccco3)cc2)c(C)n1 426503959 GTZUCXZHUHXBEM-UHFFFAOYSA-N 384.505 4.761 0 50 GJAA CC(=O)c1ccccc1-c1cccc(C(=O)N[C@H](C)c2nc(C(C)C)no2)c1 426633740 CNAFWMCSMNFEOD-CQSZACIVSA-N 377.444 4.554 0 50 GJAA O=C(NCc1ccc(Cl)cc1Cl)N1CCC([C@@H](O)c2cccs2)CC1 825520477 XALDIRMRZVXHTN-QGZVFWFLSA-N 399.343 4.710 0 50 GJAA CCc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2Cl)cc1 1775965294 RBTFLMPHQFHBKJ-UHFFFAOYSA-N 389.904 4.887 0 50 GJAA C[C@@H](N[C@H](C)c1cc(Br)cs1)c1cccc(-n2cnnc2)c1 2325788772 AZMZYOBAWCOSIU-VXGBXAGGSA-N 377.311 4.503 0 50 GJAA Cc1cc(OCC(=O)NCc2ccccc2)c(C(C)C)cc1Br 674712 HSQMYUHJRKUDJS-UHFFFAOYSA-N 376.294 4.576 0 50 GJAA Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1 689302 PNDMUHGJYPIGEP-UHFFFAOYSA-N 388.895 4.965 0 50 GJAA CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 797151 SKCLVNTZOWQSMK-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 954543 SYAAZUXPUQRGMU-ZDUSSCGKSA-N 378.266 4.642 0 50 GJAA CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2 2511691 SPIFQXPRSJKRAO-UHFFFAOYSA-N 376.500 4.722 0 50 GJAA in-vitro CC1(C)C(=O)O[C@@H](c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O 2841470 LJAQTGKCFCYCJV-AWEZNQCLSA-N 376.321 4.526 0 50 GJAA biogenic O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1 2843693 FVXSYGFMACEWJH-QZTJIDSGSA-N 399.940 4.861 0 50 GJAA CCCCOc1ccc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1 5313886 PULVQXZBTHDSDP-UHFFFAOYSA-N 388.265 4.757 0 50 GJAA CC[C@@H](Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c12)c1cccs1 14999189 BALYCVSOGGXCJP-CYBMUJFWSA-N 386.546 4.860 0 50 GJAA Cc1n[nH]c(C)c1CN(C)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl 15074065 NDPZZVIDTMELMN-LJQANCHMSA-N 397.906 4.566 0 50 GJAA Cc1ccc2c(C)c(C(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)oc2c1 15080731 ZUXVFAKOEJPTIR-GOSISDBHSA-N 380.463 4.583 0 50 GJAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(-c2ccccc2Cl)noc1C 33086786 OOTJVSLXUCFCPO-INIZCTEOSA-N 385.851 4.886 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(C(C)C)ncn1)CCO2 67654900 XGDNPMLWUSZCCU-UHFFFAOYSA-N 375.472 4.680 0 50 GJAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 239164814 MYNCPRYCNHJTKD-KGVIQGDOSA-N 394.515 5.139 0 50 GJAA Cc1cnc(C2CCN(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)CC2)s1 277629507 MXFCTMMLEDIDAF-HNNXBMFYSA-N 396.516 4.757 0 50 GJAA COc1ccc(-c2cccc(C(=O)N3CCC4(CCCC4)C3)c2)cc1C(C)=O 534672963 NCKRXJWDUWGIEI-UHFFFAOYSA-N 377.484 4.971 0 50 GJAA COc1ccc([C@@H](C)NC(=O)CSCc2cccc(Br)c2)cc1 754772 IGMIJEZDPHQYSB-CYBMUJFWSA-N 394.334 4.568 0 50 GJAA CSc1cccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2)c1 2152380 XBNIVWDROWQYGG-ZHZULCJRSA-N 392.480 4.720 0 50 GJAA Nn1c(SCc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 2395582 ZJGXKFXOFZQHOI-UHFFFAOYSA-N 387.242 4.536 0 50 GJAA O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc2nsnc12 4834924 WPYWOFWDDQKWRG-UHFFFAOYSA-N 384.511 4.546 0 50 GJAA CC(=O)c1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cs1 12594333 WFJRFBNRKLKLNK-IBGZPJMESA-N 393.512 4.561 0 50 GJAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 15077797 FLNJDXLZRGRLMD-INIZCTEOSA-N 385.920 4.682 0 50 GJAA COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c1 20615547 SGDWKGCLFANKCR-UHFFFAOYSA-N 377.366 4.549 0 50 GJAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCO[C@H](c2ccccc2)C1 27899192 KLQGGZANWBPMAL-DEOSSOPVSA-N 395.462 4.511 0 50 GJAA N[C@H]1C[C@H](NCC2(c3cccc(Br)c3)CCCC2)c2ccccc21 1875344409 KBOSETSSJLHRBA-PMACEKPBSA-N 385.349 4.995 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951167 AMILVSVYZHHOBM-UHFFFAOYSA-N 390.826 4.701 0 50 GJAA Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1C1CCCCC1 952421 JIJGTQGIFVAGGW-UHFFFAOYSA-N 395.532 4.561 0 50 GJAA CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 1138430 GBHMGVVALUHDFT-UHFFFAOYSA-N 385.514 4.602 0 50 GJAA CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 1146958 SLYKCBPWEZMJPU-UHFFFAOYSA-N 383.300 4.824 0 50 GJAA O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccc(Br)c1 1148596 PCHUMCMNBWLANF-UHFFFAOYSA-N 380.241 4.932 0 50 GJAA Cc1ccccc1NC(=S)NCCOc1ccccc1Cc1ccccc1 2186505 PYXSSVKKMRSPSM-UHFFFAOYSA-N 376.525 4.951 0 50 GJAA CCN(CC)CCCn1c(-c2ccc(OC)cc2)cn2c3ccccc3nc12 4817295 AXTQIRNCVZFXAW-UHFFFAOYSA-N 376.504 4.697 0 50 GJAA biogenic CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cccc(C)c2)CC1 11874784 LSZHBJNCKBLWLN-UHFFFAOYSA-N 393.527 4.803 0 50 GJAA CC(=O)N(Cc1cc2ccc(C)cc2nc1-c1cccs1)C[C@H]1CCCO1 12158314 BQDBEZCVBVDOHO-LJQANCHMSA-N 380.513 4.799 0 50 GJAA COCCc1nc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2o1 12709176 WBIIXSAFZSIVBB-UHFFFAOYSA-N 392.499 4.502 0 50 GJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)c1 19940045 QYYSOLXHBKVSIZ-MRXNPFEDSA-N 393.491 4.600 0 50 GJAA CC[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C)c(N2CCNC2=O)c1 20821145 FCFLHZONZJACGZ-MRXNPFEDSA-N 399.922 4.619 0 50 GJAA Cc1csc([C@@H](C)N(C)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)n1 23145172 TXGAHFSQTLWBOF-QAPCUYQASA-N 391.968 4.679 0 50 GJAA COc1ccc(Cl)c(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)c1 101358269 DYKGFKQVONDCKP-QFIPXVFZSA-N 392.886 4.874 0 50 GJAA O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 101786949 ALQWNGCYQQTPAT-ZFFYZDHPSA-N 393.486 4.925 0 50 GJAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 124062153 JIXRTDIJXFIAQE-FGTMMUONSA-N 396.556 4.954 0 50 GJAA CCO[C@@H](C)c1nc(COc2ccc(Cl)cc2-c2nc(C)no2)cs1 170613154 IBJMJQDTCZQTCT-JTQLQIEISA-N 379.869 4.831 0 50 GJAA O=c1nc2n(nc1-c1ccc(F)cc1)C1(CCCCCC1)Nc1ccccc1-2 170614846 YGVGGRZJZFAQRP-UHFFFAOYSA-N 376.435 4.544 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2cnc(-c3cccs3)nc2)cc1 215134654 MRQWPEJVKALUFH-FQEVSTJZSA-N 378.545 4.604 0 50 GJAA NC(=O)c1ccc(NCc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 225498024 FQZLVMJLHOYHGJ-UHFFFAOYSA-N 384.838 4.769 0 50 GJAA COc1ccc([C@@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)cc1 241401120 NBIBXNDEQIQEAH-IBGZPJMESA-N 377.469 4.836 0 50 GJAA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2ccc(-c3ccccc3)cc2)c1=N 334157542 JDUVLCNCYASRJP-UHFFFAOYSA-N 385.442 4.662 0 50 GJAA CCCCc1nc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c(Cl)[nH]1 1857691534 PJZNRVGAPUAETJ-JKSUJKDBSA-N 375.948 4.534 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H](C2CC2)O1 1857734651 YYAVAQXTPNUQMX-UYAOXDASSA-N 384.545 4.544 0 50 GJAA C[C@H](N[C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 1875258707 YFMDTOVBKROXQV-FZCLSBEQSA-N 388.914 4.608 0 50 GJAA COc1ccccc1-c1coc2cc(OC(=O)c3ccc(C)cc3)ccc2c1=O 934286 HJWUHWZISBIHOU-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA biogenic C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl 2085403 ATMBZNDIDAGMTF-LURJTMIESA-N 382.140 4.956 0 50 GJAA CCOC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 2323654 DLQCTXAMZUCYEL-UHFFFAOYSA-N 383.757 4.554 0 50 GJAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2Sc2cnccn2)cc1 3997674 XJASIVRIHLBDBJ-UHFFFAOYSA-N 399.541 4.726 0 50 GJAA COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(Br)cc1O 4866182 ONRZXMUZUDEKOI-CQSZACIVSA-N 398.256 4.791 0 50 GJAA Cc1cc(CN(C)C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)on1 12431960 XDKNZYRLYYFKCO-LJQANCHMSA-N 384.863 4.523 0 50 GJAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCC[C@H](c2ccccc2)C1 12709137 CBQVFGSPKRFXGE-INIZCTEOSA-N 398.409 4.552 0 50 GJAA CCCc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@@H]3c3cccnc3)cc2)n1 19535888 MTXPWFYJEUHMCR-JOCHJYFZSA-N 388.515 4.512 0 50 GJAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(C)cc3)nc21 20603185 QZPNGSVDCZRSSM-UHFFFAOYSA-N 385.414 4.785 0 50 GJAA Cc1ccsc1-c1nc(CN2CCN(c3cccc(C)c3C)CC2)c(C)o1 55244805 BCXTXIPQXNVXBY-UHFFFAOYSA-N 381.545 4.959 0 50 GJAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ncc[nH]2)CC1 95522705 KJSWFAWHDCXZAM-UHFFFAOYSA-N 394.906 4.581 0 50 GJAA COc1ccc(F)c(NCc2ncc(-c3ccccc3Br)o2)c1 122333421 KRCWSZNZWREYQV-UHFFFAOYSA-N 377.213 4.864 0 50 GJAA CCc1cccc2c(C3CCN(C(=O)N[C@H](C)c4ccncc4)CC3)c[nH]c12 123190968 TYMXDOXARHQYCU-MRXNPFEDSA-N 376.504 4.776 0 50 GJAA Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 263616850 KWHYUEZLLJEMQR-GOSISDBHSA-N 381.863 4.605 0 50 GJAA Cc1cc2occ(CC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)c2cc1Cl 952979882 SFWVWTPHJAOCMR-INIZCTEOSA-N 387.867 4.807 0 50 GJAA CC[C@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1 952983870 SGGBOWODKPOVCD-KRWDZBQOSA-N 379.504 4.519 0 50 GJAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nn1-c1ccccc1 2325822543 AWNVCPOEOVNJQD-UHFFFAOYSA-N 395.890 4.518 0 50 GJAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@@]12CCCC[C@@H]1OCC2 2325839165 KQZJKLMVXWTIMD-JTHBVZDNSA-N 394.540 4.897 0 50 GJAA COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631192 AEKBBMOXLXIZAP-IAGOWNOFSA-N 375.259 4.740 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C(C)=O)c1C 829052 KBEZNVRFFHJSOH-UHFFFAOYSA-N 387.501 4.986 0 50 GJAA COc1ccc([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 1054999 VPEBSNZZDPBGLN-OAHLLOKOSA-N 389.451 4.819 0 50 GJAA Cc1cccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)c1 1058268 ZPGOSOOGSPXOJW-UHFFFAOYSA-N 379.423 4.561 0 50 GJAA COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2c1 1161617 HMTSZOYURXGALM-UHFFFAOYSA-N 382.272 4.609 0 50 GJAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1200124 OFOFPJBOJSZDEW-MNOVXSKESA-N 399.299 4.946 0 50 GJAA COc1ccc(N(Cc2ccccc2)C(=O)c2nc(SC)ncc2Cl)cc1 4820985 CGZPKMNJGFKMNV-UHFFFAOYSA-N 399.903 4.708 0 50 GJAA Cc1c([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCC2)cnn1-c1ccccn1 12307454 FCJMFIYKSMRSOB-HNNXBMFYSA-N 394.906 4.528 0 50 GJAA Cc1cc(CNC(=O)c2ccc([C@H]3CCCN3CC3CCCC3)s2)ccn1 23619789 CCJCZGKIKLRMQW-LJQANCHMSA-N 383.561 4.709 0 50 GJAA CCCc1c(OCCCSc2cccc(C(=O)O)c2)ccc(C(C)=O)c1O 39180212 YYKWPFUZKLWQKX-UHFFFAOYSA-N 388.485 4.807 0 50 GJAA Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cnc4onc(C)c4c3)s2)cc1 170623101 SMFYKPSNLHFRFJ-ZDUSSCGKSA-N 392.484 4.763 0 50 GJAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl 239275103 BEWVWNGYSGPFME-XPNIBREUSA-N 391.942 5.726 0 50 GJAA COc1ccc(Br)cc1S(=O)(=O)Oc1cc(C)ccc1C(C)C 1309028583 JHXNSNOVOILMPO-UHFFFAOYSA-N 399.306 4.657 0 50 GJAA O=C(COc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 668776 DYNNAKDTJMMDQZ-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 676922 FEJDIYASXMWGCZ-UHFFFAOYSA-N 395.484 4.546 0 50 GJAA COc1ccccc1N[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 808672 ZPIJUHYBAWGDJD-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 885936 LRXRNLQJXRYLBZ-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 934522 JYSVFEXCSRJQPK-AWEZNQCLSA-N 390.508 4.891 0 50 GJAA CCOc1ccc(NC(=O)c2sc3nc(CC)c4c(c3c2N)CCCC4)cc1 1472207 DCBMJJHKDVNOOH-UHFFFAOYSA-N 395.528 4.971 0 50 GJAA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1Cl 2797584 URHVVJDIHOCGTE-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA O[C@@H](CNC1CCCCCC1)COc1ccc2cc(Br)ccc2c1 5041840 YKSVGXZJEWABHY-IBGZPJMESA-N 392.337 4.654 0 50 GJAA Fc1ccc(F)c(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)c1 11878659 WAIIKTMFLRWDCM-JOCHJYFZSA-N 392.534 4.600 0 50 GJAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)CCCc2cccs2)C3)nc1 12243995 RTGVIYVBUOQHHJ-SFHVURJKSA-N 392.524 4.561 0 50 GJAA Cc1nc([C@@H](C)NC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1 14980331 NLVVVXVYCWPNLW-LLVKDONJSA-N 381.432 4.890 0 50 GJAA COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1OC 25583300 FBYIKUMEQCOBSP-YKSBVNFPSA-N 386.451 4.946 0 50 GJAA CCCc1cc(C(=O)N(Cc2cccnc2)[C@@H]2CCCc3ccccc32)no1 82158528 XFPRVVAFGGBBRD-JOCHJYFZSA-N 375.472 4.742 0 50 GJAA Cc1ccnc(-c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)n1 115131471 KNUGPJYIDUKJJF-UHFFFAOYSA-N 395.466 4.767 0 50 GJAA COc1ccc(F)c(NC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)c1 151918072 AWZSBXXLKRGUCT-UHFFFAOYSA-N 395.434 4.645 0 50 GJAA CC[C@@H]1CN(Cc2ccc(CN3CCCC3)s2)Cc2cc(OC)ccc2O1 299787369 WGLZDNNQCZMKQX-GOSISDBHSA-N 386.561 4.526 0 50 GJAA CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1Br 306145184 CWEFIPUMTQHCKT-HOTGVXAUSA-N 384.314 4.802 0 50 GJAA O=C(O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@H](O)c2ccccc2)CC1 846234513 SAIJLCHVIBYYHR-RBUKOAKNSA-N 394.298 4.565 0 50 GJAA COc1cc2c(cc1OC)/C(=C/C(=O)Nc1c(C)cc(C)cc1C)NC(C)(C)C2 921675 WYOZRVPLQVCUOX-UNOMPAQXSA-N 394.515 4.533 0 50 GJAA CC(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 1133266 GRMTULFCSCZCHC-UHFFFAOYSA-N 376.890 4.883 0 50 GJAA O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccco1 1191336 OYHQVTZDFVMWEH-UHFFFAOYSA-N 397.843 4.868 0 50 GJAA O=c1c(Cl)cc(C(F)(F)F)cn1-c1ncc(C(F)(F)F)cc1Cl 2381113 ZZTAHKATRATLPG-UHFFFAOYSA-N 377.071 4.577 0 50 GJAA NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 2557944 JLUUJHIQVIXTGT-UHFFFAOYSA-N 396.984 4.851 0 50 GJAA in-vitro Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1 12037356 NCKMENIISDETLJ-IBGZPJMESA-N 389.474 4.919 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccc(C)cc1 13961566 YZEDACOIFADJTE-HSZRJFAPSA-N 391.515 4.942 0 50 GJAA Oc1cc(-c2ccccn2)cc2c1OCCN(Cc1c(F)cccc1Cl)C2 15001629 YUXDTHYSBUVYPT-UHFFFAOYSA-N 384.838 4.641 0 50 GJAA C[C@H](Oc1ccc2c(c1)CCC2)c1nnc(S)n1Cc1ccc(Cl)cc1 17078778 ZEFZQGHQKAPPIO-ZDUSSCGKSA-N 385.920 4.897 0 50 GJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 21791110 VJDBPHQJABRXSK-SFHVURJKSA-N 396.441 4.830 0 50 GJAA C[C@@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 67773851 UUQDDXMOZJURHG-CQSZACIVSA-N 396.874 4.560 0 50 GJAA FC(F)(F)c1cc(I)c(Cl)cc1Br 90413690 KQUBVTJSFLADRN-UHFFFAOYSA-N 385.348 4.726 0 50 GJAA CN(C)c1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc(Cl)n1 170626316 KDNFQXWGDKWMCP-UHFFFAOYSA-N 394.089 4.518 0 50 GJAA Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccncc1Cl 170646505 MDEDSOFFSLPNNH-JTQLQIEISA-N 375.856 4.797 0 50 GJAA CCc1nnc(-c2ccc(NC(=O)N(C)[C@H](C)c3sc(C)nc3C)cc2)o1 176009532 STUKTTWGMMCFRR-GFCCVEGCSA-N 385.493 4.597 0 50 GJAA CCO[C@H]1C[C@@H](N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)C1(C)C 303852309 OMCRFIJYBFRHSZ-CVEARBPZSA-N 376.884 4.579 0 50 GJAA CC(C)N(C(=O)c1cccc(Oc2cnccn2)c1)[C@H]1CCCc2cccnc21 374613074 QXOBXZJFDDBGFF-FQEVSTJZSA-N 388.471 4.592 0 50 GJAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN(C)C1CCN(C)CC1 824619845 QIPNGWDRQWHAOV-UHFFFAOYSA-N 378.516 4.943 0 50 GJAA O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 625658 PAXQRNUAUHOIED-CQSZACIVSA-N 396.693 4.527 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)cc1 976220 WADZKDLQVNMRLN-UHFFFAOYSA-N 387.414 4.939 0 50 GJAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1C=C2 977731 YNGLAICUWHSHGL-UHFFFAOYSA-N 393.487 4.745 0 50 GJAA Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cc(-c2ccccc2)on1 2795564 YPFMYKQXJBENBK-UHFFFAOYSA-N 390.418 4.595 0 50 GJAA CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc32)c(Br)c1 2849065 WCSIIAAIBKBMBW-UHFFFAOYSA-N 388.305 4.715 0 50 GJAA O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccccc1)c1ccc(Cl)cc1 2877426 ZCZSDKGNECAPBF-MSOLQXFVSA-N 381.950 4.722 0 50 GJAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 2993009 LKRVZSPKTUYAEG-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA CCc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1 8022013 JMFUOJDKEFBCHT-UHFFFAOYSA-N 375.259 4.697 0 50 GJAA CCCOc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 13320567 RGWGJVOXIXSJLX-UHFFFAOYSA-N 380.532 4.557 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 19222322 PVXYHNQKYWVZOW-HSZRJFAPSA-N 392.543 4.683 0 50 GJAA O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC[C@@H](c2ccccc2)CC1 67790582 WQHQQEWOJGFVMB-HXUWFJFHSA-N 386.495 4.651 0 50 GJAA O=C(c1scc2c1CCCC2)N1CCC(c2nccn2CC2CCC2)CC1 95528070 DLWFLTDEPOWTPY-UHFFFAOYSA-N 383.561 4.643 0 50 GJAA Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1 95936819 YBAWYTYNMZWMMJ-UHFFFAOYSA-N 398.375 4.919 0 50 GJAA investigational O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc(-c2cccs2)nc2ccccc12 122745056 XANWFTBCKAQPLP-YWZLYKJASA-N 378.497 4.651 0 50 GJAA C[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1nc(-c2ccccc2)no1 125486063 BITLNSALBFILEI-NSHDSACASA-N 376.243 4.577 0 50 GJAA CC(=O)N1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc21 174865891 OKWNZLOBWHWUMS-UHFFFAOYSA-N 399.494 4.702 0 50 GJAA Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 737665470 KMDUQOYMLJDUDQ-OAHLLOKOSA-N 385.467 4.868 0 50 GJAA CCOc1ccccc1CN(CC)C(=O)c1ccc(CN2CCCCC2)cc1 952968817 LTOJCGUMKFPCLF-UHFFFAOYSA-N 380.532 4.734 0 50 GJAA CN(CC[C@@H]1CCCCO1)Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1506397454 UXJBBHDRBSKGPA-HNNXBMFYSA-N 377.868 4.689 0 50 GJAA Cn1cc(-c2nc(CC34CC(C3)C4)n(-c3ccc(Oc4ccccc4)cc3)n2)cn1 1875348985 JKSALSKMCQMRDC-UHFFFAOYSA-N 397.482 4.803 0 50 GJAA C[C@H](c1ccc(Cl)cn1)N(C)C(=O)NCc1ccc(OC(F)(F)F)cc1 1875358143 LBLJANQZSACEHP-LLVKDONJSA-N 387.789 4.536 0 50 GJAA CCCc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 2763809 KFJJTEMAMIATQT-UHFFFAOYSA-N 393.439 4.835 0 50 GJAA Cc1ccc(C)c(OCn2ccc(C(=O)Nc3nc4ccc(C)cc4s3)n2)c1 2800370 SBUNVIARIKARRH-UHFFFAOYSA-N 392.484 4.707 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1 4118938 YIDDHVXSPBHXFX-UHFFFAOYSA-N 398.875 4.862 0 50 GJAA aggregator Cc1ccsc1C(=O)N(C)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 11842503 KYRRHJYITFXUEN-GOSISDBHSA-N 390.980 4.737 0 50 GJAA CN(Cc1nnc(SCc2ccccc2Cl)n1C)C[C@@H]1CC=CCC1 11908837 GWSQNOKGUAGXHA-OAHLLOKOSA-N 376.957 4.549 0 50 GJAA COc1ccc(N[C@@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)cc1 11937363 HHQLCTGXFOEVIO-HXUWFJFHSA-N 386.923 4.774 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)C2=CCCCC2)C3)s1 12159975 VDIOYUOGSSPVJS-QGZVFWFLSA-N 399.487 4.677 0 50 GJAA Cc1ccsc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 12431863 BSWCXKSTXZJHGM-IBGZPJMESA-N 393.508 4.966 0 50 GJAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccc3cnccc23)C1 12718832 AGICHMRLBCTVTQ-SFHVURJKSA-N 394.902 4.992 0 50 GJAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 12761337 HNYFHHKQXMJFIL-OAHLLOKOSA-N 386.879 4.784 0 50 GJAA CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331398 VTKAIQFALIIREB-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA CSc1ccccc1NC(=O)CCC(=O)N[C@H](c1ccccc1)c1ccco1 55414223 FGXICIJSRKZGDH-JOCHJYFZSA-N 394.496 4.626 0 50 GJAA CSc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 253396009 ASRILLBJZIBZGO-GOSISDBHSA-N 390.460 4.786 0 50 GJAA Cc1ccc(-c2noc([C@H]3CCCN3C(=O)CCCc3ccccc3)n2)cc1 263616534 JHCXPJKDJKCKIE-HXUWFJFHSA-N 375.472 4.731 0 50 GJAA CC(C)c1oc([C@H]2CCCN2C(=O)c2cnn3c2CCC3)nc1-c1ccccc1 294997302 VKAIFZMDMWDWNA-LJQANCHMSA-N 390.487 4.585 0 50 GJAA CCc1ccc(N2C[C@@H](c3nnc(-c4ccc5ccccc5c4)o3)CC2=O)cc1 1322378850 ZVYCTJVBNZTGSL-FQEVSTJZSA-N 383.451 4.973 0 50 GJAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1F 944902 YUMBQNYQRJAWTR-UHFFFAOYSA-N 380.257 4.903 0 50 GJAA COc1ccccc1Oc1coc2cc(OC(=O)c3cccs3)ccc2c1=O 1130698 DVUAZVLCKCDPRJ-UHFFFAOYSA-N 394.404 4.875 0 50 GJAA biogenic CCN(C(=O)Nc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)cc2)s1 1138789 MUIPQMRZDAQMBC-UHFFFAOYSA-N 388.880 4.926 0 50 GJAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 1217206 MBCGUKUGAFBTFZ-UHFFFAOYSA-N 391.267 4.748 0 50 GJAA CC(C)(C)SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1576231 IXAYZHCPEYTWHW-LJQANCHMSA-N 399.512 4.510 0 50 GJAA in-vitro CCCCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 1808244 WYUXEXKUTROFPM-UHFFFAOYSA-N 383.488 4.959 0 50 GJAA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)[C@@H]1C[C@@H]1c1ccccc1 2761512 NEOSFJBKQOZFLS-HZPDHXFCSA-N 386.282 4.980 0 50 GJAA Cc1ccc(CSCCNC(=O)CSCc2ccccc2Cl)cc1 2994785 HWGYSWLAUAFRTA-UHFFFAOYSA-N 379.978 4.931 0 50 GJAA CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 4578088 WCRGXBRYORWHRO-RNJZWHOHSA-N 397.968 4.622 0 50 GJAA COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OC 4867202 CVRUUCPKBLSVOF-UHFFFAOYSA-N 384.657 4.680 0 50 GJAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3cccc(C(=O)O)c3)c2c1 5048734 RQFFXYWAGBRZQL-UHFFFAOYSA-N 397.434 4.864 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)o1 5441661 DRHQHZPGHGUKBE-IBGZPJMESA-N 379.437 4.717 0 50 GJAA biogenic O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F 6513778 SPRODBRTJOCBLI-UHFFFAOYSA-N 376.762 4.625 0 50 GJAA COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 6734987 IUMQXQJZIHWLIN-QHCPKHFHSA-N 396.446 4.546 0 50 GJAA biogenic Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSc2ccccc2)C1 11818179 NVALDYYMCUTBAO-NRFANRHFSA-N 396.600 4.500 0 50 GJAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NCCCC1CCCC1 11934039 DVSUODFDRIBPDU-UHFFFAOYSA-N 383.536 4.654 0 50 GJAA CCNc1ncnc2sc(C(=O)N(C)Cc3cc4ccccc4s3)c(C)c12 12054272 SDEKFHDMPCABNB-UHFFFAOYSA-N 396.541 4.918 0 50 GJAA COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1C 12332500 AMPMFSHTIKULBA-UHFFFAOYSA-N 381.497 4.832 0 50 GJAA CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)c1C 13960869 IGMFSPAUEQLITO-UHFFFAOYSA-N 385.393 4.940 0 50 GJAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 45796258 RWGLUBLPUIVSPT-UTKZUKDTSA-N 392.842 4.770 0 50 GJAA CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 67604545 LBNOJMKRSQYJOT-UHFFFAOYSA-N 396.903 4.774 0 50 GJAA COC[C@H]1CCN(Cc2cc3ccc(C)cc3nc2-c2ccc(OC)cc2)C1 72429792 NQZJUSHLXIPNRK-SFHVURJKSA-N 376.500 4.687 0 50 GJAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1conc1-c1ccccc1 72436613 KYGTYNGVVSRCSH-UHFFFAOYSA-N 375.453 4.737 0 50 GJAA C/C(I)=C/C[C@H]1C(=O)O[C@@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@H]1[C@@H]23 104306046 QNMYWQVKNZFFDE-HSIUSZHSSA-N 398.284 4.639 0 50 GJAA COc1ccc(-c2oc3c(Cl)cc4c(C)cc(=O)oc4c3c2CC(=O)O)cc1 1848443549 ZZWHTXUECYWFAU-UHFFFAOYSA-N 398.798 4.804 0 50 GJAA N[C@H]1CC[C@@H](n2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)C1 1857697809 NDXYYDKNFMRXMQ-LSDHHAIUSA-N 385.870 4.974 0 50 GJAA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 1140988 BSYIKQPEJZCEAC-NRFANRHFSA-N 381.859 4.877 0 50 GJAA biogenic,in-vitro COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)c(Cl)c3)c(N)c12 1146971 DHBCZPBOJBTYDV-UHFFFAOYSA-N 375.881 4.547 0 50 GJAA O=c1c2ccccc2nc(CSc2ncnc3ccccc23)n1-c1ccccc1 1175952 FTRLTOOHHPUAFV-UHFFFAOYSA-N 396.475 4.621 0 50 GJAA CCc1cccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 4841835 KRZNFGQGJYFWEF-UHFFFAOYSA-N 389.411 4.577 0 50 GJAA COc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 8275247 ZWKQQBSUZFMCEY-UHFFFAOYSA-N 384.867 4.854 0 50 GJAA Cc1ccccc1[C@H](CC(=O)N(Cc1nccn1C)C(C)C)c1ccccc1 11820007 WCXWEUWKEBRLDV-JOCHJYFZSA-N 375.516 4.688 0 50 GJAA Cc1ccccc1C[C@@]1(CO)CCCN(Cc2nc(-c3cccs3)oc2C)C1 11878692 QEULUZUIERBTFB-QHCPKHFHSA-N 396.556 4.837 0 50 GJAA O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 11952397 XABJZJZGVYYBCU-UHFFFAOYSA-N 394.906 4.626 0 50 GJAA CCC(CC)C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 11964236 LEBHJEKEQDODTK-MRXNPFEDSA-N 389.492 4.613 0 50 GJAA COc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc(-c3cccs3)oc2C)C1 11998490 SDIQUQBMMHHURS-MRXNPFEDSA-N 396.512 4.815 0 50 GJAA Cc1ccc(C)c(-n2cc(CN[C@H](C)c3cnn(C)c3)c(-c3ccccc3)n2)c1 12300666 RFPJIRUZIYICDL-LJQANCHMSA-N 385.515 4.740 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5ncccc5c4)C3)C2)c1 12318470 DYXJUIITGULTHR-SANMLTNESA-N 399.538 4.672 0 50 GJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 16474258 QKTVILYRHZYFMF-IYBDPMFKSA-N 384.907 4.924 0 50 GJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 20455972 LVBUWHOLIRFXAW-MRXNPFEDSA-N 381.426 4.683 0 50 GJAA CCCCn1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C 20616302 YEADTOFZLJKCJK-UHFFFAOYSA-N 393.516 4.953 0 50 GJAA COCc1nn2c(-c3ccccc3OC)ccnc2c1-c1ccc(Cl)cc1 67640748 WLOXOQPWXGBSOP-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 72441244 BEARAYZJCSFQEV-UHFFFAOYSA-N 383.249 4.543 0 50 GJAA C[C@@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nc(C2CC2)no1 96149280 OYERXBGDDZHEQR-GFCCVEGCSA-N 384.461 4.715 0 50 GJAA Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc4ccccc4c3)nn12 227143191 ZZNLKWGJBHRWLY-UHFFFAOYSA-N 382.452 4.629 0 50 GJAA O=C1[C@H](c2ccccc2)[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@H]1c1ccccc1 239331276 KKIVHHRFFPSOGI-YCAMKHIRSA-N 383.447 5.395 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cn(C)nc3C)C[C@H]12 245239775 MEPYNTVXLJQGPP-ALDXDYIQSA-N 392.543 4.648 0 50 GJAA COc1ccc(CNC(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1 263587172 CZGXHNJECNLYJW-GOSISDBHSA-N 383.879 4.707 0 50 GJAA Cc1onc(-c2cc(Cl)ccc2F)c1C(=O)N1CCC(C(F)(F)F)CC1 263640080 WPLGRAYCJOJBOA-UHFFFAOYSA-N 390.764 4.857 0 50 GJAA Cc1nc(C)c(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)s1 426535943 UBKHPPNHCPMIJB-UHFFFAOYSA-N 378.497 4.937 0 50 GJAA CC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1nc(C(F)(F)F)cs1 474770278 VMMMBYKVVLZIRU-LLVKDONJSA-N 399.369 4.837 0 50 GJAA CCCN(C(=O)c1ccc(-c2ccc(-c3ccc(F)cc3)nn2)cc1)C1CC1 584895097 GLGHZPNIQBERME-UHFFFAOYSA-N 375.447 4.964 0 50 GJAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@H]3c3ccc(CN(C)C)cc3)c2)n1 1506421502 QPUVVBKNQMURME-RUZDIDTESA-N 388.559 4.888 0 50 GJAA C[C@@H](C(=O)N1CCC[C@H]1c1cc(F)ccc1Cl)n1ccc(C(F)(F)F)n1 1875331581 OGIDKYSCMGSWJI-HZMBPMFUSA-N 389.780 4.619 0 50 GJAA Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 674324 SDOHDWCFLFKRSV-UHFFFAOYSA-N 386.517 4.623 0 50 GJAA Cc1c(OC(=O)C(C)C)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 1159682 ITDXCTUFXRWGJP-UHFFFAOYSA-N 379.437 4.940 0 50 GJAA biogenic Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 1177006 FXAZPIKEXPVGPQ-UHFFFAOYSA-N 380.344 4.821 0 50 GJAA O=C(Nc1ccc(Br)cc1F)c1c(F)c(F)c(F)c(F)c1F 2114759 XZOFMZQACXZHCA-UHFFFAOYSA-N 384.073 4.536 0 50 GJAA CCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 2187921 GICPNQHQHSTXJF-GOSISDBHSA-N 380.473 4.552 0 50 GJAA CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 2736643 JXZSMXANZTVSEB-UHFFFAOYSA-N 387.501 4.843 0 50 GJAA CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 2830161 VTOLIRDOMQYLOS-UHFFFAOYSA-N 388.533 4.530 0 50 GJAA COc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=O)O2)c1 3003253 PEYMUAUEFAXZKT-UCQKPKSFSA-N 399.446 4.927 0 50 GJAA Fc1ccc(-c2cc(-c3nnc(S)n3-c3cccc4ccccc34)[nH]n2)cc1 5790691 YCDMHOIGTRMQQR-UHFFFAOYSA-N 387.443 4.905 0 50 GJAA Cc1oc(-c2ccccc2F)nc1CN1CCC[C@@H](OCc2ccccc2)C1 12593391 GBSWNFJQTFEOPV-LJQANCHMSA-N 380.463 4.970 0 50 GJAA Cc1ccc(-n2cc(CNCCc3ccncc3)c(-c3ccc(F)cc3)n2)cc1 20322970 MIFSITRJUANVEE-UHFFFAOYSA-N 386.474 4.714 0 50 GJAA C[C@]12CCC3(C[C@@H]1CC1(OCCO1)[C@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 25545694 MPIRFQZGXWCVJD-UFOPBENGSA-N 376.537 4.515 0 50 GJAA CCC1=NO[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccc(F)cc2OC)C1 65371128 LNPPWOPRXDEMBM-GOSISDBHSA-N 379.435 4.920 0 50 GJAA COc1cccc(OC)c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71745472 XOZOJIIQCDWQRD-LJQANCHMSA-N 382.287 4.584 0 50 GJAA Cc1nc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c2ccsc2n1 72447290 NNTMIMLIOLZQOT-OAHLLOKOSA-N 380.300 4.884 0 50 GJAA C[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 169620365 NEOBKRYJEBKVCY-MRXNPFEDSA-N 392.886 4.860 0 50 GJAA CSc1ccc([C@H](CC(=O)O)NC(=O)CCCc2c[nH]c3ccccc23)cc1 237419096 UTCNYGNMCPHASD-FQEVSTJZSA-N 396.512 4.545 0 50 GJAA Brc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 242389394 ZWTXGXGBQLPFIR-OAHLLOKOSA-N 387.306 4.704 0 50 GJAA Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cc1 252483879 FKNPWBIJGXZKKX-UHFFFAOYSA-N 380.757 4.500 0 50 GJAA CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 1776003711 FLEBKLVKNFFUBY-RJWJFCOGSA-N 380.875 4.794 0 50 GJAA COc1ccccc1-c1noc([C@H]2C[C@@H]2c2csc(Br)c2)n1 1857530208 XOTMPHOSXPEQJL-NEPJUHHUSA-N 377.263 4.840 0 50 GJAA Cn1cc(C(=O)N2CCOc3ccccc3[C@H]2C(F)F)c2cccc(Cl)c21 1875355036 XXDASHSMKHREIA-SFHVURJKSA-N 390.817 4.673 0 50 GJAA CCCCN(C(=O)c1ccc2c(=O)ccoc2c1)c1nc2ccccc2s1 2325748792 QBXZRAMRBIIFIW-UHFFFAOYSA-N 378.453 4.850 0 50 GJAA CC[C@@H](NC(=O)c1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(OC)cc1 2325805076 NMPDZIGVCYXWFI-MRXNPFEDSA-N 387.386 4.564 0 50 GJAA Brc1c(CSc2nc3ccccc3s2)nc2ccccn12 851438 BFNQDZFCKCPFFQ-UHFFFAOYSA-N 376.304 4.999 0 50 GJAA O=C(OCc1ccc2nonc2c1)c1cc(-c2ccccc2)nc2ccccc12 974302 LBBPUERFZHYEGM-UHFFFAOYSA-N 381.391 4.795 0 50 GJAA COc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 992993 VYJIGXXAWSNKGB-KRWDZBQOSA-N 389.451 4.906 0 50 GJAA O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1 1169183 DTOLCDPYNRKAJX-UHFFFAOYSA-N 391.880 4.729 0 50 GJAA Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3cccs3)ccc2o1 1184089 KSSOFNMLGSZKCP-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 1212478 ORMZEFLKTWGZBG-FXAWDEMLSA-N 388.389 4.607 0 50 GJAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5631341 DBKJUQTWUYLUEB-GHMZBOCLSA-N 397.283 4.722 0 50 GJAA CCc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)o1 12090788 POUWBKGQDDTEDM-KRWDZBQOSA-N 395.528 4.816 0 50 GJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CC(F)(F)F)cc1 12456943 CUFCMIUPLMJLOI-MRXNPFEDSA-N 379.426 4.616 0 50 GJAA CCCn1ncc(-c2c(-c3ccccc3)ncn2CC[C@H]2CCCN2C)c1C 65406197 QKZMMCZDOXYTBV-HXUWFJFHSA-N 377.536 4.616 0 50 GJAA COc1ccc2ncc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)cc2c1 72426326 QOFZLLZHYCIGOY-UHFFFAOYSA-N 381.439 4.794 0 50 GJAA Cc1cc(-c2noc([C@H](C)Nc3ccc4c(c3)CCCC(=O)N4)n2)ccc1F 171435597 KQCRSYNCIZEFGX-ZDUSSCGKSA-N 380.423 4.632 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC([C@H](O)c2cccs2)CC1 1506403092 QTCCJCNLFOWCBX-QFIPXVFZSA-N 392.524 4.704 0 50 GJAA COc1ccc(COCc2cccc(NC(=O)/C=C/c3cncs3)c2)cc1 2325748862 CMFTYNQSYSGMRH-MDZDMXLPSA-N 380.469 4.520 0 50 GJAA COC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1-c1cccc(Cl)c1 676356 OCYAPTRWMOILRS-UHFFFAOYSA-N 377.771 4.664 0 50 GJAA CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1 947604 GIRKXDJSESTYSL-UHFFFAOYSA-N 375.255 4.647 0 50 GJAA C[C@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 951870 IJDDBUKNLOHKCU-JTQLQIEISA-N 379.312 4.938 0 50 GJAA CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC[C@H](C)C2 995995 XZHMEOILOPMNOT-JTQLQIEISA-N 379.428 4.580 0 50 GJAA O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(C(=O)O)cc1 1184250 CBHKHIHSRYHXHU-UHFFFAOYSA-N 389.407 4.779 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1nc(-c2ccccc2)cs1 1206445 LNZDPSHIFPIVQI-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA CCCCOc1nn(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc1C 2066311 SWHBHGIWPVDOGQ-UHFFFAOYSA-N 375.428 4.528 0 50 GJAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 2891224 CNQWQVVAYOEEPJ-XZOQPEGZSA-N 375.468 4.758 0 50 GJAA O=C(COc1ccccc1CNC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 4821155 BCELTKYZARXELD-UHFFFAOYSA-N 390.527 4.763 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(N2CCCC2)cc1 5065302 IHFLNAPZKSLOHU-UHFFFAOYSA-N 397.588 4.706 0 50 GJAA COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1OC 8583117 PBYCWERISWKPHV-UHFFFAOYSA-N 395.850 4.538 0 50 GJAA O=C(Cc1noc(-c2cc(Cl)ccc2Cl)n1)Nc1ccccc1Cl 16579516 FTEHVNSCPIHJOV-UHFFFAOYSA-N 382.634 4.878 0 50 GJAA C[C@@H](C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112971390 YNELJETWNMPEEH-OXJNMPFZSA-N 383.488 4.900 0 50 GJAA in-vitro Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 126873066 NRSFZAZAMWUXLU-UHFFFAOYSA-N 390.505 4.620 0 50 GJAA COc1cc(C)c(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1F 186783715 IIGBQHRPRSSKSI-UHFFFAOYSA-N 380.419 4.993 0 50 GJAA CC[C@]1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 239339090 LRKCWFYHHUSIOT-KGCBQIOCSA-N 378.343 5.792 0 50 GJAA CSc1cccc(CN(C(=O)c2nc3ccc(Cl)cn3c2F)C(C)C)c1 952981772 NUHDIHTXNSZLKF-UHFFFAOYSA-N 391.899 4.900 0 50 GJAA CO[C@@H](CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1312093657 RPRCSDKAWJAGGN-MSOLQXFVSA-N 379.287 4.838 0 50 GJAA Cc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2ccccc2)n1 1506397273 RBXCIIAIUYEOGL-SFHVURJKSA-N 398.466 4.613 0 50 GJAA O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1 1775955056 MYPPFEYUZFAZCP-INIZCTEOSA-N 391.467 4.655 0 50 GJAA Cc1ncn(-c2ccc(CNC[C@](C)(O)C3CCC(C(C)C)CC3)cc2)c1C 2325842301 UDVOPGZDANWRBU-IWAAJCSBSA-N 383.580 4.792 0 50 GJAA Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 939621 LGPSNWCXGOTQQB-UHFFFAOYSA-N 394.780 4.758 0 50 GJAA S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Cl 1122033 YUZFCDMYTWCWLX-UHFFFAOYSA-N 385.670 4.640 0 50 GJAA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCCO2 1176657 CTHLKUONWVJXOO-UHFFFAOYSA-N 390.370 4.657 0 50 GJAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2754731 KYLLGCLZUYTHTL-IRXDYDNUSA-N 378.453 4.569 0 50 GJAA O=C(COc1ccccc1Br)NC(c1ccccc1)c1ccccc1 2972348 FFEQNBCSMUZSIK-UHFFFAOYSA-N 396.284 4.734 0 50 GJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)c1 2986879 HPQVMRSAKZNXJY-UHFFFAOYSA-N 399.560 4.839 0 50 GJAA Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 3254043 FGFDOGNADXENRP-UHFFFAOYSA-N 375.476 4.552 0 50 GJAA CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 4510531 ASPJIYNHLTZHRM-SFHVURJKSA-N 375.896 4.586 0 50 GJAA CC(C)N(Cc1nccn1C)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 11664668 HRTLHROUUAKRER-FQEVSTJZSA-N 379.479 4.518 0 50 GJAA COc1ccc(/C=C/CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 12464274 DGTKVGHXFXDJBR-XXIDSNJLSA-N 396.506 4.978 0 50 GJAA Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccccc2Cl)CC1 17080525 UUWSMJYNAXEWFM-UHFFFAOYSA-N 394.371 4.816 0 50 GJAA O=C(Nc1ccc2c(c1)CN(Cc1ccsc1)CC2)C1(c2ccccc2)CC1 20541615 IRHDXLQEKUJZMR-UHFFFAOYSA-N 388.536 4.977 0 50 GJAA O=C(c1ccc([C@@H]2CCCN2Cc2ccoc2)s1)N1CCCC(F)(F)C1 23367407 GXQOLOHGWCCZMW-HNNXBMFYSA-N 380.460 4.550 0 50 GJAA Oc1c(Br)cc(Br)c(C(F)(F)F)c1Br 40456684 UJGDTIJKYXZZNR-UHFFFAOYSA-N 398.798 4.699 0 50 GJAA in-vitro Cc1oc(-c2ccc(F)cc2F)nc1CN(C)Cc1ccc2nsnc2c1 59372849 BLWSOFZWNLOSDV-UHFFFAOYSA-N 386.427 4.565 0 50 GJAA C[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1nc(-c2ccccc2)no1 125486225 BITLNSALBFILEI-LLVKDONJSA-N 376.243 4.577 0 50 GJAA O=C(Nc1cccc(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1)C1CC1 252509007 YAPPTEKJNDCVDV-OAHLLOKOSA-N 399.441 4.725 0 50 GJAA CN(Cc1cc(O)ccc1Cl)[C@H]1CCCN(C(=O)c2coc3ccccc23)C1 1875342457 SCGNXHASYYCQHQ-INIZCTEOSA-N 398.890 4.528 0 50 GJAA O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCc1ccccc1 641860 VMHXZNYFTSROBC-UHFFFAOYSA-N 393.053 4.928 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1OC 657145 MUPRADTUWIBPAJ-UHFFFAOYSA-N 390.483 4.935 0 50 GJAA COc1ccc(Br)cc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1013891 ZYKBKQUXVVUIOB-XNTDXEJSSA-N 390.258 4.699 0 50 GJAA CCC(=O)Nc1cc(C(=O)OCC(=O)c2cccc3ccccc23)ccc1C 1121169 WUJFJFLACHPBQB-UHFFFAOYSA-N 375.424 4.536 0 50 GJAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1nnc(CC(C)(C)C)s1 2728935 QVVCCNDTDDQEHF-UHFFFAOYSA-N 381.929 4.886 0 50 GJAA CCOC(=O)c1c(NC(=S)n2cc(C)cn2)sc(C)c1-c1ccccc1 2858309 BDTLPLLYUIQDMX-UHFFFAOYSA-N 385.514 4.650 0 50 GJAA Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 6341777 QBCCPELRUDFBQK-XXBNENTESA-N 388.398 4.797 0 50 GJAA CCn1ccc(C(=O)Nc2sc(C(C)C)cc2C(=O)Nc2ccccc2)n1 6490341 PYHCOOHFIFCEGJ-UHFFFAOYSA-N 382.489 4.593 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(CCc2ccccc2)CC1 11998612 KRCONGLMNCDSSI-UHFFFAOYSA-N 391.540 4.703 0 50 GJAA O=C(CCC1CCN(CCc2ccccc2)CC1)NCc1cccc(Cl)c1 12054538 GRUFUAUVWVXKGX-UHFFFAOYSA-N 384.951 4.691 0 50 GJAA Cc1ncccc1C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12703375 AKVIBMRJYDVWKB-QFIPXVFZSA-N 384.479 4.792 0 50 GJAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(Cc2cnn(C(C)C)c2)C1 12754620 CGJMDQWDEZNYFH-JIWMQAFSSA-N 395.547 4.713 0 50 GJAA CC1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2cccs2)CC1 15859983 ULFSWXOKKFVQMP-LJQANCHMSA-N 395.528 4.606 0 50 GJAA COc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cc1Cl 20616000 KXBYFMSHPDOYTQ-UHFFFAOYSA-N 389.786 4.568 0 50 GJAA O=C(Nc1ccc(O[C@H]2CCOC2)cc1)Nc1ccccc1CC(F)(F)F 174017685 GEWBURZSSZUCIV-INIZCTEOSA-N 380.366 4.603 0 50 GJAA O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 194685136 BWQZOOPAJWZDFP-QGZVFWFLSA-N 387.270 4.551 0 50 GJAA COc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1Cl 247907099 IQKHOSISTQUAAR-UHFFFAOYSA-N 389.860 4.942 0 50 GJAA CCN(CC)CCCNC(=O)c1ccc(-c2c(O)ccc3ccccc23)cc1 426370318 FNUAFDZAMDOIKZ-UHFFFAOYSA-N 376.500 4.674 0 50 GJAA CN(Cc1ccccc1NC(=O)c1ccc2c(c1O)CCC2)C1CCCCC1 1875357701 SSNKJTAJUFJUIA-UHFFFAOYSA-N 378.516 4.898 0 50 GJAA CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1nccn1Cc1ccccc1 2325748274 WPWJFSSRKIRFDC-QHCPKHFHSA-N 399.494 4.731 0 50 GJAA Cc1ccc(CN2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)cc1Cl 2356163309 XJNOCOOJQAPWDL-UHFFFAOYSA-N 383.923 4.501 0 50 GJAA CC(C)CNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCC(C)C)cc2)cc1 640739 XFQGOKVRSBHRDP-UHFFFAOYSA-N 396.535 4.832 0 50 GJAA O=C(Nc1nccs1)c1ccc(COc2ccc(Br)cc2)cc1 659177 QZIUDCGZEBKFAE-UHFFFAOYSA-N 389.274 4.737 0 50 GJAA CC1(C)C[C@H](n2c(SCc3ccccc3)nc3ccccc3c2=O)CCO1 822721 ZSQCGDFEZXKZGK-QGZVFWFLSA-N 380.513 4.819 0 50 GJAA COc1ccc(-c2noc(COc3cc(C)c(Br)c(C)c3)n2)cc1 1159751 GJSAKVZMKYRCFB-UHFFFAOYSA-N 389.249 4.704 0 50 GJAA O=C(N[C@@H](CC1CCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2583170 NVZVRXJTMCMDNR-NRFANRHFSA-N 379.456 4.559 0 50 GJAA biogenic COc1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)c(OC)c1 12057670 LTVWQUBOPLRVCL-SFHVURJKSA-N 399.516 4.851 0 50 GJAA COc1ccc(OC)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc12 23633995 DRLOSKINHMWNBO-UHFFFAOYSA-N 397.906 4.540 0 50 GJAA Cc1c(C(=O)Nc2ccc3nn(C(C)C)cc3c2)cnn1-c1ccc(F)cc1 118667954 VZNOYELYSBVCLO-UHFFFAOYSA-N 377.423 4.503 0 50 GJAA Cc1cc(Br)cnc1NC(=O)c1sc(-c2cccs2)nc1C 156562969 BMBVGQSNVXCVNR-UHFFFAOYSA-N 394.319 4.898 0 50 GJAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3)C[C@@H]12 248376069 BXJRUGUVBIWBJI-ONILKBQJSA-N 392.543 4.729 0 50 GJAA Cc1csc(-c2cccc(NC(=O)N3CCCC[C@H]3c3ccnn3C)c2)n1 333071497 OTZLHGNQFYGVRL-SFHVURJKSA-N 381.505 4.611 0 50 GJAA O=C(Nc1ccccc1C(F)F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 425702663 NIGLGTYNURVHHU-JTQLQIEISA-N 388.340 4.778 0 50 GJAA CCc1ccc(Nc2nnc(-c3nc(-c4ccc(OC)cc4)oc3N)s2)cc1 1857799290 VKLGSJJEGQXFTN-UHFFFAOYSA-N 393.472 4.757 0 50 GJAA COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 755777 GNQFQWVTCVMDNC-UHFFFAOYSA-N 375.453 4.806 0 50 GJAA COc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 1162625 XGUBZMCJZCUYSV-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA O=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1 1408119 ZJZLUSTYWAHDRA-UHFFFAOYSA-N 381.819 4.614 0 50 GJAA CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O 2062843 CMVOJRVSAMMSLC-UHFFFAOYSA-N 385.847 4.796 0 50 GJAA O=C(Nc1cccnc1Cl)c1ccn(COc2c(Cl)cccc2Cl)n1 2794340 SAFJJMJVUSCQAJ-UHFFFAOYSA-N 397.649 4.527 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 5046301 BHMXXIYGVUVWRJ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA COc1cccc(OC)c1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 5077820 WITXCMLSLYVUED-NRFANRHFSA-N 381.859 4.877 0 50 GJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c1C 12195226 OLUCXESUFISVLE-HXUWFJFHSA-N 381.520 4.674 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 12306356 MZNLASQIBYCHRD-OAQYLSRUSA-N 389.474 4.738 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1cccc2c1OCO2 12385780 JLWYHZHFDFTAFR-IBGZPJMESA-N 389.499 4.713 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccco2)n1 12434839 MMPHSRDTOABDKP-DEOSSOPVSA-N 385.467 4.571 0 50 GJAA COc1ccc(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)cc1O 14879840 NRVVQAMECFGWTL-JOCHJYFZSA-N 381.497 4.907 0 50 GJAA CCc1cc(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)on1 71764400 YBRZDLNYVISQPS-CQSZACIVSA-N 380.410 4.741 0 50 GJAA CC(C)(C)NC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 95511807 WDGYMKFCUUXOGP-AWEZNQCLSA-N 399.457 4.644 0 50 GJAA O=C(Nc1nc2c(s1)CCCCCC2)c1cnc(S)n1-c1ccccc1 170591859 OUHPYYWAJFQOTK-UHFFFAOYSA-N 384.530 4.529 0 50 GJAA CC[C@H](C)[C@@H](NC(=O)[C@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 334160733 LETXEFIBVVVPKP-ZYSHUDEJSA-N 384.549 4.562 0 50 GJAA CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cnn(Cc4ccccc4)c3)cc2c1 1441336352 ZKSNZJJDPQMOBB-UHFFFAOYSA-N 386.499 4.640 0 50 GJAA Cc1ccc(NS(=O)(=O)c2cc(C)c(Br)cc2C)cc1Cl 1875319172 RGNQEUPZXSUIJS-UHFFFAOYSA-N 388.714 4.829 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1Cl 2325755426 RUPFQPPXNNUTLE-CQSZACIVSA-N 382.895 4.843 0 50 GJAA CO[C@@H](C(=O)N[C@H]1CC2(CCC2)Oc2ccc(F)cc21)c1ccccc1Cl 2325827691 NJQYNPUZGGITNO-PKOBYXMFSA-N 389.854 4.729 0 50 GJAA Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccccn2)n1 813424 XLMXELBARURUGA-UHFFFAOYSA-N 393.497 4.966 0 50 GJAA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Cl)c1 1124518 DZJSVWPGWCRATJ-GFCCVEGCSA-N 376.909 4.989 0 50 GJAA Cc1ccc(C)c(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)c1 1144290 UXGKHUABUPUIHN-UHFFFAOYSA-N 378.435 4.952 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Cl)cn1 1181453 ASQZNXMAKSOHPS-QHHAFSJGSA-N 386.691 4.568 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 1183492 YUPRZLILCNWMBJ-UHFFFAOYSA-N 394.327 4.720 0 50 GJAA Cc1cccc(NS(=O)(=O)c2cc(C(C)(C)C)c(F)c(C(C)(C)C)c2)n1 1188815 HYPHZIMWWXPVTJ-UHFFFAOYSA-N 378.513 4.925 0 50 GJAA O=c1c(Cc2ccccc2)nc2c(Cc3ccccc3)[nH]c(-c3ccccc3)cn1-2 2598956 MWOYPGFRXPPBOX-UHFFFAOYSA-N 391.474 4.847 0 50 GJAA in-vitro CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1Cl 2868421 BGJKWMLGNZZFAK-UHFFFAOYSA-N 388.634 4.996 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)c(F)c1 11844177 STWUWHGLKIFYMZ-OAQYLSRUSA-N 381.451 4.920 0 50 GJAA COCc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3OC)C2)o1 12048321 SHIWVPZDKWQRPQ-HSZRJFAPSA-N 379.456 4.571 0 50 GJAA O=C(CSc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12449028 RXFGTKLHEFTBHO-XMMPIXPASA-N 399.519 4.829 0 50 GJAA Cc1c(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)cnn1C 15004296 NWKXVVWWNCYRDP-OAQYLSRUSA-N 393.512 4.701 0 50 GJAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1sc2ccccc2c1Cl 19375991 MONQARRJWJHAQF-UHFFFAOYSA-N 386.904 4.639 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CCC[C@H](c4ccccc4)C3)c(C)o2)cc1 19791472 WTMWVGUPZHLANA-NRFANRHFSA-N 390.483 4.816 0 50 GJAA CCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4[C@H]3C)ccc21 97492507 JXEMNQNOANZDCL-OAHLLOKOSA-N 378.476 4.606 0 50 GJAA CCCCCn1c(=O)c(C(=O)Nc2c(C)cccc2C)c(O)c2ccccc21 100658471 LDBMGKLADWARHJ-UHFFFAOYSA-N 378.472 4.766 0 50 GJAA Cc1cc(-n2ccnc2)ccc1COC(=O)c1csc(-c2ccsc2)n1 170611645 LEEPALNGIVOOPG-UHFFFAOYSA-N 381.482 4.723 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N=c1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 439345068 KZWOOVVHBLPTKE-KCQAQPDRSA-N 396.878 4.604 0 50 GJAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)Nc2cccc(C(=O)N(C)C)c2C)c1 825164184 HEJHWTZINFVOHC-UHFFFAOYSA-N 396.531 4.925 0 50 GJAA CCC(=O)Nc1ccc(NC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)c(C)c1 952970796 VNPLVKGFZNPTGW-QHCPKHFHSA-N 380.488 4.659 0 50 GJAA COc1ccc([C@H](CC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 662468 QIXSWRNBEXWPKR-QHCPKHFHSA-N 394.492 4.792 0 50 GJAA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 991998 HJRUTABRGLXOPY-QGZVFWFLSA-N 387.435 4.676 0 50 GJAA O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccc2ccccc12 1092929 VPIHKPBRNLRNCB-UHFFFAOYSA-N 397.503 4.952 0 50 GJAA Cc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 1119607 PDNXYTJLYAFRNJ-UHFFFAOYSA-N 399.244 4.855 0 50 GJAA Cc1cccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3Cl)C3=C2COC3=O)c1 1427886 GSVSHKQSVHYBDD-HNNXBMFYSA-N 388.250 4.633 0 50 GJAA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5cc(C)n(C)n5)nc4c23)C1 2798595 PQKBHXMXNUUDPN-ZDUSSCGKSA-N 394.548 4.589 0 50 GJAA Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C(=O)CC(C)(C)C3 4735753 RQDQJGVIXRPANB-UHFFFAOYSA-N 389.498 4.759 0 50 GJAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1c(F)cccc1F 5756692 LZQIIDOVTFWFAJ-UHFFFAOYSA-N 392.814 4.698 0 50 GJAA C[C@H](c1nccs1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 14959317 COHLDLYMRNLHIM-CYBMUJFWSA-N 395.459 4.847 0 50 GJAA Cc1ccc([C@H](C)CCN2CCC(n3nccc3NC(=O)CC(C)C)CC2)o1 15078091 HTVDZXLYHNPGDC-QGZVFWFLSA-N 386.540 4.600 0 50 GJAA Cc1cc2nc(N3CCC(N[C@@H](C)Cc4ccsc4)CC3)nc(C)c2cc1C 20256419 SXLGMCLVRGSNHB-KRWDZBQOSA-N 394.588 4.806 0 50 GJAA CN1C(=O)/C(=C2\SC(=O)N(c3cccc(Cl)c3)C2=S)c2ccccc21 33304288 JOBFHRFQCOAFMQ-PFONDFGASA-N 386.885 4.728 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3Cl)no2)cc1 36620938 LYPLUBQEHQDVHO-IBGZPJMESA-N 382.847 4.981 0 50 GJAA Oc1ccc(Cc2nc(C3CCOCC3)nn2C2CCCCC2)cc1Cl 96138020 PWROOPSLZICLEN-UHFFFAOYSA-N 375.900 4.627 0 50 GJAA Cc1ccc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)c(C)c1 100462569 NSDKBDLYGDPMHM-UHFFFAOYSA-N 378.472 4.622 0 50 GJAA Cc1c(NC(=O)c2cc(Cl)ccc2OC(F)F)cnn1-c1ccccc1 129021754 SIDODMWPIZHRAX-UHFFFAOYSA-N 377.778 4.688 0 50 GJAA CC(C)c1noc([C@H](C)N2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 229839068 MUTVRXGSUWLRKX-DLBZAZTESA-N 394.560 4.612 0 50 GJAA Cc1coc(-c2ccc(C)c(NC(=O)N[C@H]3CCOc4c(C)cccc43)c2)n1 241720953 QTPKUUXHWFAMOY-SFHVURJKSA-N 377.444 4.912 0 50 GJAA CC(=O)O[C@H](C(=O)N1c2ccccc2[C@H]2Cc3ccccc3[C@@H]21)c1ccccc1 252507402 WKJHTOIEQGXZBI-NHTMILBNSA-N 383.447 4.719 0 50 GJAA O=C1CCc2cc(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c(F)cc2N1 282374098 YHVOXYMYVISBQO-QZTJIDSGSA-N 391.446 4.563 0 50 GJAA COc1ccc(C)nc1-c1cccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 299801602 XMXFUZWZZQOFQZ-OAQYLSRUSA-N 387.483 4.828 0 50 GJAA COc1ccc(CC(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1 334161856 JVUOMXIWIBDQFV-JOCHJYFZSA-N 379.504 4.682 0 50 GJAA COc1ccc(C2(C(=O)Nc3ccc(N4C(=O)CC[C@@H]4C)cc3)CCCC2)cc1 824654540 KZTVBPBTXZPLIF-KRWDZBQOSA-N 392.499 4.661 0 50 GJAA CCc1c(C(=O)Nc2ccc3c(c2)CCCC3=O)cnn1-c1ccccc1Cl 1436501112 NTRXXIGNUUJJSN-UHFFFAOYSA-N 393.874 4.859 0 50 GJAA COc1cccc2c(C)cc(N3CCC4(CC3)OCCc3ccsc34)nc12 1704337247 YNVXDRQSVQAHTJ-UHFFFAOYSA-N 380.513 4.682 0 50 GJAA C[C@@H](CNC(=O)CN(C)[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1 2325725278 PAUCWNALTKEEOF-DFBJGRDBSA-N 390.502 4.767 0 50 GJAA Cc1cc(C2CCN(C(=O)N[C@@H](C)CC(F)F)CC2)ccc1Br 2325736622 SMNKSOWJVORBJO-LBPRGKRZSA-N 389.284 4.690 0 50 GJAA CC[C@@H](C)Oc1ccc(-c2noc([C@H]3CCC(=O)N(c4ccccc4)C3)n2)cc1 2332239322 HIIGJLUWOTUBLQ-AEFFLSMTSA-N 391.471 4.825 0 50 GJAA COc1cnccc1-c1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1 2356140195 YIWFOZJXXOJCQP-VWLOTQADSA-N 386.495 4.951 0 50 GJAA CCC[C@@H](C)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 1049274 RBFOZBOUCJIRAF-CQSZACIVSA-N 394.500 4.946 0 50 GJAA COc1cc2c(cc1NC(=O)C(=O)c1c[nH]c3ccccc13)oc1ccccc12 2504145 OHNURUDWUJYCIP-UHFFFAOYSA-N 384.391 4.897 0 50 GJAA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 2754048 JOEWSGGIFRWZJB-INIZCTEOSA-N 385.291 4.697 0 50 GJAA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2Br)cc1 2848369 ZXDFFTADEQLXGK-FQEVSTJZSA-N 396.284 4.977 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1cccc2c1CCCC2 2878398 HHPYOSWBLDWIEB-UHFFFAOYSA-N 394.696 4.999 0 50 GJAA Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 4651908 WCAYKVUDNCORBO-ROUUACIJSA-N 398.528 4.923 0 50 GJAA N=C1NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)S1 5102457 AOFKKCOCFILVMG-NSIKDUERSA-N 397.258 4.850 0 50 GJAA COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)CCCC(=O)O 5432709 BDTLRIGWSHZMLI-UHFFFAOYSA-N 397.452 4.548 0 50 GJAA CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 6832824 BIMXANATIDDQKC-OAQYLSRUSA-N 379.479 4.570 0 50 GJAA C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl 11874193 GEEACDKBCJLWAR-LLVKDONJSA-N 392.789 4.676 0 50 GJAA Cc1ccc(NC(=S)NC(=N)Nc2nc(C)c3cc(C)c(C)cc3n2)cc1C 17196582 FREDYIMKHFULMS-UHFFFAOYSA-N 392.532 4.505 0 50 GJAA CCCc1cc([C@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)no1 33269792 ZGQJYNCDPUFPRX-GOSISDBHSA-N 385.851 4.913 0 50 GJAA O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67884255 HSAGSNQDGQUPAF-LJQANCHMSA-N 387.266 4.755 0 50 GJAA O[C@@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)c1cccnc1 67955733 ADTLESBHHOTPIC-QFIPXVFZSA-N 380.451 4.827 0 50 GJAA COc1ccccc1C(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccsc1 241588543 PDXXGQHIHMGEEZ-LJQANCHMSA-N 392.480 4.757 0 50 GJAA O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cnc(O)c2ccccc12 253536927 PMSWYPFLEZBGJH-UHFFFAOYSA-N 388.398 4.911 0 50 GJAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 329881920 PDUMYXZDCAPORF-KRWDZBQOSA-N 398.576 4.580 0 50 GJAA CSc1cccc(CN(C(=O)c2ccc(N3CCOCC3)c(C)c2)C(C)C)c1 1506402132 MZERZMGRGUGAAM-UHFFFAOYSA-N 398.572 4.604 0 50 GJAA Clc1cc2c(cc1-c1nccn1CC[C@@H]1CCCN3CCCC[C@H]13)OCO2 1857672278 OJQXWIFOIPJLJT-MAUKXSAKSA-N 387.911 4.587 0 50 GJAA CC(C)(CNC(=O)c1cc(F)c2ncccc2c1)c1coc(-c2ccccc2)n1 1875316480 UEXWSHOUOCWBOD-UHFFFAOYSA-N 389.430 4.737 0 50 GJAA O=C1OC(c2cccs2)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 1193547 OOYRHHFQBQNNNP-PDGQHHTCSA-N 379.412 4.811 0 50 GJAA CCCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1 2868188 HGHVFNYMCFIWIF-UHFFFAOYSA-N 398.510 4.871 0 50 GJAA O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(Cl)c(Cl)c1 2879151 HYFNLGAVSYDTJK-UHFFFAOYSA-N 391.279 4.979 0 50 GJAA O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F 2982077 QEOGIOPMNZPXCW-UHFFFAOYSA-N 391.880 4.729 0 50 GJAA O=S(=O)(NCCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl 4578125 SKCQQJVHBHQUFS-UHFFFAOYSA-N 388.360 4.878 0 50 GJAA O=C(O)C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 4580599 MJEFZJLSMDPVDN-ZDUSSCGKSA-N 377.824 4.640 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1I 5064044 ASZDJCFZJRHUNF-UHFFFAOYSA-N 395.284 4.836 0 50 GJAA O[C@@H]1CCCN(c2nc3cc(Cl)ccc3cc2CNC2CCCCCC2)C1 14991464 IGFCFSPDVFZQNI-HXUWFJFHSA-N 387.955 4.662 0 50 GJAA CSc1ccc(NC(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1 55253203 GISURUCALPAQPR-UHFFFAOYSA-N 393.516 4.536 0 50 GJAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 69377009 GXDRYRBDMQAHDG-INIZCTEOSA-N 378.476 4.618 0 50 GJAA Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2OCC2CC2)cs1 188999493 SHWYGIBQLUDUCM-QGZVFWFLSA-N 375.469 4.748 0 50 GJAA O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnc(O)c2ccccc12 253536935 RDYUZWWAPQDUBJ-UHFFFAOYSA-N 388.398 4.911 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1C[C@@]1(C)C(C)C)CC2 476085204 RVNCYIGEFMCCAL-OAOOKAIFSA-N 399.556 4.922 0 50 GJAA C[C@H](OC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 915490833 XTQAZURKGSAIGU-HOTGVXAUSA-N 386.451 4.744 0 50 GJAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N(Cc1ccco1)Cc1ccco1)(C3)C2 952985889 BQFCSJKIUMVVLF-FJTGNWTPSA-N 383.488 4.513 0 50 GJAA O=C1S/C(=C/C=Cc2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 1857795468 YIHHYXHFMIAISE-FGLYJRMSSA-N 399.855 4.861 0 50 GJAA COc1cccc2c1[C@H](NC[C@@H](O)Cc1ccc3ccccc3c1)C[C@H](C)C2 1875345096 RYQJPCUMQHGXJV-MQNAVGNWSA-N 375.512 4.665 0 50 GJAA O=C(c1ccc(OCc2ccccc2)cn1)N1CCC[C@@H]1c1cc(F)ccc1F 2325818553 JZXKWOJOYSZOKK-JOCHJYFZSA-N 394.421 4.916 0 50 GJAA CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 948258 QWNAEYPBLKXYBB-UHFFFAOYSA-N 382.485 4.843 0 50 GJAA CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC2CCCCC2)=C1C 970934 IFLGLMVDKFNWCR-SFHVURJKSA-N 376.884 4.576 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 1202705 RTQAFUQBQHPAMD-FQEVSTJZSA-N 379.529 4.550 0 50 GJAA O=C1C[C@@H](c2ccccc2OCc2ccccc2)c2cc3c(cc2N1)OCCO3 1460049 ZXHDOCHMCIYLEB-SFHVURJKSA-N 387.435 4.511 0 50 GJAA O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 4907885 XSRACVLGAPTIIO-UHFFFAOYSA-N 388.536 4.771 0 50 GJAA O=C(CCc1cccs1)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 20912435 GIOAZBBOBTZBFD-UHFFFAOYSA-N 393.556 4.595 0 50 GJAA Cc1ncc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)s1 55271991 HAEGXCXFVVAFAT-OAQYLSRUSA-N 398.620 4.893 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCC(Cc3nncn3-c3ccccc3)CC2)o1 55284012 MCDYYLPBKCVTLG-SFHVURJKSA-N 378.520 4.617 0 50 GJAA C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCOCC3)cc21 226075316 SFMZAWQIZZJKOB-SFHVURJKSA-N 394.584 4.987 0 50 GJAA O=C(O)C[C@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 725240683 VSAWVLYUBZONDD-QHCPKHFHSA-N 399.446 4.967 0 50 GJAA O=C(c1oc2ccccc2c1CSc1nc[nH]n1)N1CCC2(CCCC2)CC1 1775996413 QHMZKDMAGKBEQW-UHFFFAOYSA-N 396.516 4.640 0 50 GJAA CN(C)[C@@H](C(=O)Nc1ccsc1-c1ccc(Cl)cc1)c1cscn1 1857530292 ZJYLBCXSRPJVLM-OAHLLOKOSA-N 377.922 4.766 0 50 GJAA O=C(COc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 943054 LHXSFYBZMLQMGB-UHFFFAOYSA-N 392.402 4.770 0 50 GJAA Fc1cccc(Cl)c1CNc1n[nH]c(NCc2c(F)cccc2Cl)n1 1068489 JLQATMMFFOICNC-UHFFFAOYSA-N 384.217 4.614 0 50 GJAA O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 1073212 WNMDICFAGGDZLS-UHFFFAOYSA-N 380.513 4.782 0 50 GJAA O=S(=O)(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 1208309 QRJTUBMVYWHIMW-UHFFFAOYSA-N 384.844 4.949 0 50 GJAA CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 2810657 ZZOWCWPDSNGATA-UHFFFAOYSA-N 392.238 4.751 0 50 GJAA CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 4911956 YERBRNYUYWUNOI-QGZVFWFLSA-N 385.529 4.708 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCC4)C3)c2)c1 11838267 WCWJMZITBWQCNT-OAQYLSRUSA-N 376.500 4.639 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)c1cccs1 12092898 RRGOWGZHYBVEPD-GOSISDBHSA-N 398.572 4.712 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc3nccnc23)C1 15070714 VVTPJYMHIJGARE-QGZVFWFLSA-N 399.416 4.744 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19831768 BCOYYRUUZJGMCF-UHFFFAOYSA-N 390.914 4.965 0 50 GJAA c1ccc(-c2ncn(Cc3noc([C@@H]4CCCO4)n3)c2-c2ccsc2)cc1 65387333 KAQTXNUSGNITMQ-INIZCTEOSA-N 378.457 4.561 0 50 GJAA c1ccc(COCc2c(-c3ccccc3)ncn2CCc2nccs2)cc1 65527831 IXBYIYARZHSHQR-UHFFFAOYSA-N 375.497 4.966 0 50 GJAA CN(CCCc1nccn1C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 95511627 KQLDCDAENOGHPW-OAQYLSRUSA-N 395.934 4.687 0 50 GJAA O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 112195354 DPRFWXJHEANNSB-OAHLLOKOSA-N 383.398 4.500 0 50 GJAA COc1ccc(C(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 170622146 PJHPWCVFNZSPJB-UHFFFAOYSA-N 376.364 4.527 0 50 GJAA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239339071 LQRFBQYOWQVTGJ-XRJOUIEWSA-N 398.300 5.444 0 50 GJAA Cc1ccc2c(c1)cc(CN[C@@H](Cc1ccccc1)c1ccccc1)c(=O)n2C 299800309 WRJLQDNZBRAFTG-DEOSSOPVSA-N 382.507 4.921 0 50 GJAA CC[C@H](NC(=O)Nc1ccc2ccccc2n1)c1nc(C(F)(F)F)cs1 1311069026 WZDRLGGMUHMRKN-NSHDSACASA-N 380.395 4.983 0 50 GJAA CCN=c1[nH]c(SCCOc2ccc(OC(C)(C)C)cc2)nc2ccccc12 2325843057 RTRKZEAPFOLACQ-UHFFFAOYSA-N 397.544 4.832 0 50 GJAA COc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCC2 708532 HDWGHCKQJDNURH-UHFFFAOYSA-N 386.517 4.872 0 50 GJAA CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 1127721 IEAGACVRFDPVBG-UHFFFAOYSA-N 375.424 4.695 0 50 GJAA COc1cc(C(=O)OC(c2ccccc2)c2ccccc2)cc(OC)c1OC 1136177 RXXFQTPZZYMYFJ-UHFFFAOYSA-N 378.424 4.659 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 1159210 DKKXFDXBUKPSGT-UHFFFAOYSA-N 394.496 4.711 0 50 GJAA C[C@H]1CCc2nc(NC(=O)CSc3nc4ccccc4s3)sc2C1 1268175 QKSUBEFBVUGRKO-JTQLQIEISA-N 375.544 4.608 0 50 GJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)c1ccccc1 2386051 ZJBPFSBDUVNICK-QFIPXVFZSA-N 387.435 4.693 0 50 GJAA biogenic,in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2F)CC1 9063528 DSTQMHUQACZCMO-UHFFFAOYSA-N 380.385 4.695 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 12436036 DWJQOBKKKZUAMD-SFHVURJKSA-N 392.886 4.932 0 50 GJAA O=c1c2ccccc2nc2sc(CC(c3ccccc3)c3ccccc3)nn12 17078318 REODPYAOIDKWTO-UHFFFAOYSA-N 383.476 4.679 0 50 GJAA O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@H]1c1ccco1 33012287 RKOPQITVZRCYGK-HNNXBMFYSA-N 387.233 4.674 0 50 GJAA COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCCC3 96900678 XBLIVLCBAHPULH-UHFFFAOYSA-N 381.501 4.798 0 50 GJAA Cc1ccc(-c2nnc(SCc3nnc(Cc4ccccc4C)o3)o2)c(C)c1 127760395 VQVRIDXUTYWTAD-UHFFFAOYSA-N 392.484 4.928 0 50 GJAA COc1ccccc1COC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 179761052 IOTJGWLOLYWLAT-UHFFFAOYSA-N 396.462 4.671 0 50 GJAA COc1ccc(-c2ocnc2C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 288711642 LBEOUJUAVUSCCW-HNNXBMFYSA-N 394.393 4.545 0 50 GJAA CCN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-c2ccccc2OC)cc1 426383879 REJRUZRVUPGBJA-UHFFFAOYSA-N 377.488 4.802 0 50 GJAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCC(F)(F)CC1 888100304 OXRAOXFVAFVOKJ-UHFFFAOYSA-N 376.407 4.576 0 50 GJAA C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875263345 QVNSDNWHXYQQRG-JJEOQYAHSA-N 393.531 4.535 0 50 GJAA Cc1cc(Cl)cc(-c2cc(-c3ccccc3)nn2C)c1OC1CCNCC1 1875329773 IQUKHEJTGAXBFT-UHFFFAOYSA-N 381.907 4.847 0 50 GJAA C[C@@H](C(=O)Nc1cc(-c2ccccc2)ccc1F)n1ccc(C(F)(F)F)n1 1875331457 ILWOCAMSGLAVCQ-LBPRGKRZSA-N 377.341 4.908 0 50 GJAA Cc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n[nH]2)cc1 2325822958 ZBVYFBJIAVXQFQ-UHFFFAOYSA-N 395.890 4.722 0 50 GJAA CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 641260 TVLBQGOKZAJIAF-NRFANRHFSA-N 393.556 4.858 0 50 GJAA COc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1OC 668468 BEQSZJNQWGTDMM-UHFFFAOYSA-N 390.483 4.982 0 50 GJAA O=S(=O)(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 2363106 HCGLWSZJIZKYSX-UHFFFAOYSA-N 383.860 4.684 0 50 GJAA Cc1n[nH]c(C)c1CCCCCCOc1ccc(I)cc1 3106053 PISMNBCJRYKHSS-UHFFFAOYSA-N 398.288 4.813 0 50 GJAA Cc1ccc(C)c(-n2cc(CNCCc3cscn3)c(-c3ccccc3)n2)c1 12090139 TXTMZYOFVKYTCW-UHFFFAOYSA-N 388.540 4.945 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 12298643 NISROCCTQBAWJC-KRWDZBQOSA-N 393.512 4.553 0 50 GJAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)Cc1cccc(-n2cccn2)c1 12432092 WRANDVPNAFBVMR-UHFFFAOYSA-N 394.425 4.746 0 50 GJAA Cc1c([C@@H](C)NCc2ccc(OC(F)F)cc2)cnn1-c1cccc(F)c1 12463834 UCLOWWMYRGMCQB-CYBMUJFWSA-N 375.394 4.772 0 50 GJAA CCCCn1nc(C)c2c(C(=O)Nc3ccc(F)cc3F)cc(C3CC3)nc21 13961316 VZBATFWZFVZXKB-UHFFFAOYSA-N 384.430 4.948 0 50 GJAA Cc1c(NCc2ccccn2)cccc1C(=O)NCc1ccc(F)c(Cl)c1 65452468 RADFQFIXRJPCBM-UHFFFAOYSA-N 383.854 4.725 0 50 GJAA Cc1c(CN(Cc2ccccc2)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 71766931 SMRVQMAYXQQQAT-UHFFFAOYSA-N 397.522 4.687 0 50 GJAA CCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 239339151 LTIVTGJEFRJVGB-SPYBWZPUSA-N 382.533 5.164 0 50 GJAA COc1ccc2cc(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(F)cc43)[nH]c2c1 252489879 KDYPCTALKCPAGB-SFHVURJKSA-N 377.419 4.604 0 50 GJAA CSc1ccc2nc(N3CCC[C@H](C(=O)c4ccccn4)C3)cc(C)c2c1 1506423418 WFYLZNAKNVUUED-INIZCTEOSA-N 377.513 4.759 0 50 GJAA Fc1cnc(Cl)cc1-c1nc(-c2ccc(OCc3cccnc3)cc2)no1 1875281417 ZRDGWIKOVOUSJU-UHFFFAOYSA-N 382.782 4.565 0 50 GJAA CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 949951 UUISJTZFLGYPHV-UHFFFAOYSA-N 386.908 4.690 0 50 GJAA O=C(Nc1ccccc1)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 1190312 BGOCTGOMBACAEO-HMMYKYKNSA-N 376.843 4.750 0 50 GJAA CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 2188509 YIOAXNCSCYORIV-UHFFFAOYSA-N 399.541 4.557 0 50 GJAA O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl 4918461 XOXMYTIDOLZABV-UHFFFAOYSA-N 383.344 4.567 0 50 GJAA CC(C)c1csc(CN(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)n1 11873037 HEYIMKLEGVXYLO-IBGZPJMESA-N 389.584 4.792 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(Cc3c(C)[nH]c4ccccc34)C2)c(OC)c1 12074922 JROJDGNPVQRXAG-KRWDZBQOSA-N 392.499 4.588 0 50 GJAA CSc1cccc(CNC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c1 12612036 WXISABWZIQVWAX-UHFFFAOYSA-N 382.485 4.522 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)cc2)c1 15071513 WNIZTYAGGYNFCV-UHFFFAOYSA-N 399.494 4.548 0 50 GJAA CC1=Nc2ccccc2N=C(NC(=O)CN2CCCCCC2)[C@H]1c1ccccc1 18180546 GGEYSCGUTBSVDO-HSZRJFAPSA-N 388.515 4.599 0 50 GJAA COc1ccc(CCN(C)c2cc(C)c3cc4c(cc3n2)CCC4)cc1OC 23634474 XMTPFBXKKVMYCJ-UHFFFAOYSA-N 376.500 4.728 0 50 GJAA CC(=O)c1ccc(N2CCN(Cc3nc(-c4sccc4C)oc3C)CC2)cc1 55270948 UJAIEOZCJGENBX-UHFFFAOYSA-N 395.528 4.545 0 50 GJAA CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2Br)CC1 72233852 QKDGKYIISFTCOQ-UHFFFAOYSA-N 398.345 4.651 0 50 GJAA CCN(CCOC)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 72424602 XRAMNXRWYRXTDR-UHFFFAOYSA-N 385.458 4.594 0 50 GJAA Cc1cccc(C)c1NC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O 100602461 BUNVNYAEJSMFGA-UHFFFAOYSA-N 378.472 4.622 0 50 GJAA CC[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(Br)cc1 125037095 CCVGOCVDRNOHNJ-HNNXBMFYSA-N 389.322 4.883 0 50 GJAA O=C(c1ccccc1NCc1ncc(-c2cccc(F)c2)o1)N1CCCCC1 177191627 VCIIXLDGWUKOMZ-UHFFFAOYSA-N 379.435 4.719 0 50 GJAA O=C1CCCc2cc(NC(=O)c3csc(-c4ccc(F)c(F)c4)n3)ccc2N1 180045948 UPJGSEVNPJXYHW-UHFFFAOYSA-N 399.422 4.615 0 50 GJAA C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)N[C@H](c2ccccc2)c2cccs2)o1 229675124 OWZMHOVTYYKDAE-ZDWFVDTJSA-N 394.540 4.802 0 50 GJAA O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1 253399622 DDIZOKWVWWLUTN-SFHVURJKSA-N 384.387 4.607 0 50 GJAA biogenic C[C@@H]1CC2(CCOCC2)CN1C(=O)c1cc(-c2cccs2)nc2ccccc12 843723027 XAMPXRSNDULJTG-MRXNPFEDSA-N 392.524 4.995 0 50 GJAA Cc1ccn(-c2ccc(NC(=O)c3cc(-c4ccco4)nc4onc(C)c34)cc2)n1 1875254228 RDKRIUYDJNFILC-UHFFFAOYSA-N 399.410 4.538 0 50 GJAA O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(OCc2cccnc2)cc1 2325748265 GVCJDZDFSWVVEA-XGAFWQRZSA-N 394.421 4.615 0 50 GJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cncc(Br)c1 977550 XTCKNTUMKSWHGF-UHFFFAOYSA-N 393.244 4.640 0 50 GJAA O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1Cl 1081646 GQTKGFOFUHKUKK-UHFFFAOYSA-N 378.859 4.565 0 50 GJAA Cc1cc(I)ccc1NC(=O)c1ccc(OC(C)C)cc1 1144515 NTVGQWUCZQYSQY-UHFFFAOYSA-N 395.240 4.639 0 50 GJAA O=C(Nc1ccccc1OC(F)F)c1cc(Br)ccc1Cl 1268863 HGIVDKZEQNQLFJ-UHFFFAOYSA-N 376.584 4.956 0 50 GJAA CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1 1860918 IUADDTJNNLCYQY-UHFFFAOYSA-N 385.471 4.719 0 50 GJAA COc1ccc(S(=O)(=O)Nc2ccccc2SC)c(Cl)c1Cl 2853961 DAZOXPYPIVVTMR-UHFFFAOYSA-N 378.302 4.525 0 50 GJAA Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2cc1C 4487078 ZXQMKUVYRCRUMU-HNNXBMFYSA-N 399.454 4.594 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC3(C)C)cc1 4854168 XYGAOCYWCCHIOS-KRWDZBQOSA-N 387.277 4.737 0 50 GJAA CCCCN(Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 15071127 DHNLIWGTXHPVNF-QHCPKHFHSA-N 394.559 4.879 0 50 GJAA Clc1ccc2[nH]c([C@@H]3CCCN3Cc3nc(-c4cccs4)no3)nc2c1 19731133 SYQIDGKWJYOPDJ-AWEZNQCLSA-N 385.880 4.665 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1Cl 35511457 LDCPLNGMNIDDJW-HNNXBMFYSA-N 393.871 4.838 0 50 GJAA Cc1cc(C)c2[nH]c(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)c(C)c2c1 91986828 OLLPJRRONFSFAE-LJQANCHMSA-N 375.516 4.692 0 50 GJAA CCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c(O)c2ccccc21 100498460 KVWPGHZGRLNDEQ-UHFFFAOYSA-N 384.863 4.803 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)co1 186637508 SQNFKOSFKJDEOZ-MRXNPFEDSA-N 381.259 4.528 0 50 GJAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccnc1N1CCCCC1 189086326 VNKQFFXEYIRVLX-INIZCTEOSA-N 386.565 4.793 0 50 GJAA CCn1nc(C)c([C@H](C)NC(=O)c2cccc(-c3ccc(NC)cc3)c2)c1C 299793165 JRMCOMUEJXPGOV-HNNXBMFYSA-N 376.504 4.720 0 50 GJAA Cc1c(C(=O)Nc2ccccc2-n2cccn2)oc2cc(Br)ccc12 334162568 PZHMXYQKRREPKX-UHFFFAOYSA-N 396.244 4.942 0 50 GJAA COc1c(C)cc([C@H](C)NC2CCN(C(=O)c3ccccc3)CC2)cc1Cl 796719005 YCSASPPWIAEGKP-INIZCTEOSA-N 386.923 4.612 0 50 GJAA O=C(O)[C@H](c1cccc2ccccc12)N1CC[C@H](COCc2ccccc2)C1 1875282824 UEMYUHARJACAIQ-CVDCTZTESA-N 375.468 4.504 0 50 GJAA COc1ccc(C(=O)NCC(C)(C)c2coc(-c3ccccc3)n2)cc1Cl 1875316229 BYMDWWXOVVJQIP-UHFFFAOYSA-N 384.863 4.711 0 50 GJAA CCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 830670 YWNVGUUTGTWJPW-KQDNUWKFSA-N 376.485 4.885 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ncc(Cc2ccc(F)cc2)s1 848361 JSQVBOGWUVBQKL-UHFFFAOYSA-N 376.840 4.544 0 50 GJAA O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(C(F)(F)F)c2)s1 863330 TWAJFHKCYFCBDJ-UHFFFAOYSA-N 388.370 4.553 0 50 GJAA CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1Cl 1049309 NBUSXHNBUKZJGY-UHFFFAOYSA-N 375.856 4.733 0 50 GJAA O=C(Nc1cccc2ccccc12)c1cc2cc(Br)ccc2oc1=O 4173236 ZFLQSKLIBOOTIP-UHFFFAOYSA-N 394.224 4.961 0 50 GJAA CC(C)c1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 5241420 NQJILIRZCXHREA-UHFFFAOYSA-N 397.526 4.846 0 50 GJAA CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 5383502 RFGBBCRANYUGTP-UHFFFAOYSA-N 382.507 4.783 0 50 GJAA Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C2CCCC2)n1 20617042 AJRPRXDPLNHYOB-UHFFFAOYSA-N 397.426 4.526 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 82086641 AHAUMOAYFHPKPB-CYBMUJFWSA-N 394.525 4.768 0 50 GJAA O=C(Nc1ccccc1N1CCOC1=O)c1csc(-c2cccc(Cl)c2)n1 120417078 NHOAPBDJLTVWPF-UHFFFAOYSA-N 399.859 4.672 0 50 GJAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCc2cc(-c3ccccc3)ccc21 132274138 PHLPLIMMQLFGDX-UHFFFAOYSA-N 381.426 4.694 0 50 GJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c1C 238997252 ACRGBEQNXUSBQC-AEZRXPCCSA-N 385.463 4.653 0 50 GJAA C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1C[C@H]1c1ccccc1 241926464 UGJMFPVCGIOHIQ-DKLXNKCPSA-N 398.506 5.262 0 50 GJAA Cc1cnc(C2CCN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)CC2)s1 277443268 JJOFKCOZASJNGM-PMACEKPBSA-N 399.560 4.508 0 50 GJAA CCc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3c3ccnn3C)s2)cc1 328589321 KCKVBBYFKYYVRG-LJQANCHMSA-N 394.544 4.782 0 50 GJAA Cc1ccc2cc(-c3ccc(C(=O)N4CC(N5CCCCC5)C4)cc3)ccc2n1 426507812 BIXAACRRAMVCFD-UHFFFAOYSA-N 385.511 4.521 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@@H]2CCCCC[C@@H]21 1875264179 OMLFJXBRYBRFJS-YOEHRIQHSA-N 396.491 4.540 0 50 GJAA CSCCc1nc(-c2cccc3cnsc23)n([C@@H]2CCOC(C)(C)C2)n1 1875340961 AORKLFNTEYPVHX-CQSZACIVSA-N 388.562 4.590 0 50 GJAA CC(C)n1ncc2c(C(=O)O[C@@H]3CCC[C@@H]3c3cccnc3)cc(C3CC3)nc21 2325743015 RFRNRGQWLRMXPL-DYESRHJHSA-N 390.487 4.778 0 50 GJAA O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1 537908 YEJCDKJIEMIWRQ-UHFFFAOYSA-N 391.474 4.878 0 50 GJAA biogenic,investigational COC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc2c1CCCC2 629376 IXAHSPYHPKSSLW-UHFFFAOYSA-N 395.480 4.584 0 50 GJAA Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCC3)c(C)c1 722363 OWEOKOYDTUZPMB-UHFFFAOYSA-N 382.407 4.607 0 50 GJAA CCOc1ccc2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2c1 811576 KEAMMJDXYNXZLC-UHFFFAOYSA-N 379.441 4.911 0 50 GJAA Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)cc1 1302241 WMRJIMUPJRFCCW-UHFFFAOYSA-N 397.478 4.627 0 50 GJAA COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4147661 UOJCEXBJAOIXLI-UHFFFAOYSA-N 382.419 4.941 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)O)C1 4286345 ZSYQKSGFYKGCAP-SECBINFHSA-N 394.290 4.586 0 50 GJAA CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccco3)=NN12 5591215 BHOJBSDIXNALLO-SFHVURJKSA-N 385.895 4.679 0 50 GJAA Cc1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1Cl 6737640 HIHKYEOZCFCQCR-UHFFFAOYSA-N 390.874 4.954 0 50 GJAA Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)sc2c1 16212399 PXAAFEPLENPVFH-IRXDYDNUSA-N 376.481 4.951 0 50 GJAA CCc1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 19790184 YFYFJQXVJLJZRZ-UHFFFAOYSA-N 384.523 4.874 0 50 GJAA OCC1(CCOc2ccccc2)CCN(Cc2ccc(-c3ccco3)cc2)CC1 20992746 DKBSHFQTEKPUET-UHFFFAOYSA-N 391.511 4.990 0 50 GJAA Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 33086882 WFKQFFBGJCNLRP-FQEVSTJZSA-N 388.533 4.865 0 50 GJAA O=C(c1ccc(NCc2ccco2)nc1)N1CCC(CCc2ccccc2)CC1 67856134 BBZWYAIYUPVWJI-UHFFFAOYSA-N 389.499 4.772 0 50 GJAA CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 101705144 TWJGMHCAJOYFQT-CPLUKWAASA-N 392.524 4.854 0 50 GJAA Cc1c(C(=O)Nc2ccc(-n3cncn3)c(C(F)(F)F)c2)oc2ccccc12 133717650 PQPBLNWNQCJCQL-UHFFFAOYSA-N 386.333 4.593 0 50 GJAA C[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F 142872799 JERZEQUMJNCPRJ-QGZVFWFLSA-N 397.784 4.650 0 50 GJAA O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 1875252179 DTPFWOYFLAKGOO-CYBMUJFWSA-N 395.409 4.536 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@H](c1ccccc1Br)C(C)C 2325841756 FNWDLJFAMDDVAY-UWJYYQICSA-N 390.365 4.895 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)cc1 2356140643 NFYKOAMMHXHZPD-HXUWFJFHSA-N 379.529 4.725 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCC(C)CC4)c3C)C2)cc1 1070558 IDXBKSICXFKTII-KGYZHSKHSA-N 395.499 4.980 0 50 GJAA CCOC(=O)c1cc(C(=O)c2cccc3ccccc23)n2cc(C(C)=O)ccc12 2529489 RNBIYQUPFIKRRB-UHFFFAOYSA-N 385.419 4.703 0 50 GJAA CC(C)CC(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2666987 JKNHLUJQYJZEQX-LBPRGKRZSA-N 391.648 4.976 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)c1ccn(C(=O)c2cccc(Cl)c2)n1 2748497 DVOKCJPYCVSGBZ-UHFFFAOYSA-N 394.645 4.784 0 50 GJAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1 2836284 YAMCTXIRNYVWKF-UHFFFAOYSA-N 390.508 4.854 0 50 GJAA Nc1ccc2nc(SCc3ccc(C(=O)Nc4nccs4)cc3)sc2c1 4661555 QPMRZAFWASKQTL-UHFFFAOYSA-N 398.538 4.880 0 50 GJAA COc1cc(C)c(-c2nc(CN(C)C[C@H]3Cc4ccccc4O3)c(C)o2)cc1C 12704897 BZWKFCPQXPIMGA-LJQANCHMSA-N 392.499 4.711 0 50 GJAA O=C(c1ccc(F)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19842076 SNECMCVCGFRWFR-UHFFFAOYSA-N 390.458 4.576 0 50 GJAA CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 22340295 JVOLMMYJZQHOAT-UHFFFAOYSA-N 381.453 4.579 0 50 GJAA CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 33270378 NKMSEIZJSFEBBO-GOSISDBHSA-N 376.522 4.621 0 50 GJAA CCOc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 239331277 KKJBWYAGHOQEEX-NOZRDPDXSA-N 384.479 5.636 0 50 GJAA O=C1C[C@H](C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c2ccccc21 475263400 YFCWAUYANDARLI-BHVQAJKHSA-N 393.486 4.770 0 50 GJAA COc1ccc2cc(-c3nc(-c4ccc(Br)cc4)no3)cnc2c1 904708984 IZEKVHBNUXXZFE-UHFFFAOYSA-N 382.217 4.723 0 50 GJAA Cc1nc2cc(C(=O)N3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2s1 952990832 UEIJJZXTGUBNGV-HNNXBMFYSA-N 390.512 4.576 0 50 GJAA CC[C@H](OC(=O)c1cnc2scc(C)n2c1=O)c1ccc(Cl)cc1Cl 2325824923 VRDXCQLYUFRZBN-AWEZNQCLSA-N 397.283 4.679 0 50 GJAA CCc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1CC 2325874683 XBHLHJPJNOOQHL-UHFFFAOYSA-N 388.352 4.745 0 50 GJAA C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)c1ccccc1 639069 RKWNNWBKBJCKOW-CYBMUJFWSA-N 382.843 4.975 0 50 GJAA Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(O)c1 724636 KWZVCVLXTVLJFJ-UHFFFAOYSA-N 386.860 4.741 0 50 GJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)c(Cl)c1 983257 DAVIPYYSDWQXJR-UHFFFAOYSA-N 396.697 4.710 0 50 GJAA COc1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1OC 1033118 CCSPNWYGONQOHG-UHFFFAOYSA-N 375.877 4.544 0 50 GJAA biogenic Cc1nn2c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nnc2c2ccccc12 1113883 XXTFRFHDHWENIH-UHFFFAOYSA-N 397.413 4.644 0 50 GJAA Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1178078 VCHSZJWXAODCGJ-UHFFFAOYSA-N 398.507 4.650 0 50 GJAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cc2ccncc2)cc1 1188118 LXPWEQDDHLUAKR-UHFFFAOYSA-N 383.234 4.780 0 50 GJAA Cc1cccc(-c2csc(NC(=O)c3cccnc3)c2C(=O)OC(C)C)c1 2763209 ZATYGTNSKGKWAL-UHFFFAOYSA-N 380.469 4.936 0 50 GJAA Cn1cc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)c2ccccc21 11821606 CNPTWJCYRNRBCH-UHFFFAOYSA-N 375.516 4.809 0 50 GJAA COc1cccc(C[C@]2(CO)CCCN(Cc3ccccc3-c3ccco3)C2)c1 12298930 BIYPQECYHGGIJC-RUZDIDTESA-N 391.511 4.772 0 50 GJAA COc1ccc(-c2nc(CN3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1C 15069687 ZCTIDGPLETVOOJ-LJQANCHMSA-N 384.520 4.794 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1nc(-c2ccccc2)no1 19228779 LVXBLGCAELYTQR-UHFFFAOYSA-N 396.397 4.610 0 50 GJAA CCN(CC)C(=O)c1cc(-c2cnn(C(C)(C)C)c2)nc2c(C)c(C)ccc12 63871757 ZULZLKSAKDPFDL-UHFFFAOYSA-N 378.520 4.952 0 50 GJAA Cc1cccc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1C 67673001 LDMLSYFXMUSECY-UHFFFAOYSA-N 376.504 4.505 0 50 GJAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 67982628 QAXDKHVJYAMIBD-UHFFFAOYSA-N 384.483 4.886 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC(O)CC1 72428039 QWBDBTHKLQXFGR-UHFFFAOYSA-N 382.891 4.521 0 50 GJAA CN(Cc1ccnc2ccccc12)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82097921 UWCSQIAWEUKWAV-UHFFFAOYSA-N 392.462 4.822 0 50 GJAA CCOc1ccc(-c2nc(CNc3cccc4c3N(C(C)=O)CC4)cs2)cc1 122102457 XJFNUBOHBHVAJZ-UHFFFAOYSA-N 393.512 4.730 0 50 GJAA CC(C)c1oc([C@H]2CCCN2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 241930362 UHYOTCOMLSQKFP-NHCUHLMSSA-N 398.547 5.188 0 50 GJAA CC(C)c1oc([C@@H]2CCCN2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 241930363 UHYOTCOMLSQKFP-RTWAWAEBSA-N 398.547 5.188 0 50 GJAA CCN(CC)C(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 252483187 DWWOIMHLSUTIGK-UHFFFAOYSA-N 387.892 4.684 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1Cl 252512549 SBHSZCFQSJWHBB-KBRIMQKVSA-N 386.879 4.690 0 50 GJAA C[C@H]1C[C@@H](C)[C@@H](C(=O)O)[C@@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 958528063 SLJCYEDXGJJBDY-JEZSTIGHSA-N 393.483 4.755 0 50 GJAA N[C@@H](C(=O)N[C@@H](c1ccccc1)c1cc(F)cc(Cl)c1)C1CC2(CCC2)C1 2325827456 GREOULZRYJEUID-UXHICEINSA-N 386.898 4.592 0 50 GJAA COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631193 AEKBBMOXLXIZAP-DLBZAZTESA-N 375.259 4.740 0 50 GJAA CC1(C)C[C@H](NC(=O)C2CCCCC2)C[C@](C)(CNC(=O)C2CCCCC2)C1 669167 FGHZXDKIKAURBN-RDPSFJRHSA-N 390.612 4.964 0 50 GJAA COc1ccccc1N1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O 1177744 JTKUDRWJDHLEJV-UHFFFAOYSA-N 384.391 4.612 0 50 GJAA O=C(CCC1CCCC1)NCc1ccc(CNC(=O)CCC2CCCC2)cc1 4894605 SGNFGFIIRNFDMY-UHFFFAOYSA-N 384.564 4.860 0 50 GJAA O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1ccccc1Br 5018001 AARNHJRJOZSCQC-ZHACJKMWSA-N 386.274 4.723 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCc2ccncc2)C1 12448823 BNXUKBXEDPELLF-DEOSSOPVSA-N 398.506 4.803 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@H]3CCO)c(C)o2)c2ccccc12 15061957 ZPZGDAJNMUKMKH-KRWDZBQOSA-N 380.488 4.549 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1)NC1CC1 15062912 AXZCCONNMKCOFI-FQEVSTJZSA-N 392.543 4.536 0 50 GJAA Cc1nncn1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 156803705 DSNDTRRSUULXBW-UHFFFAOYSA-N 390.393 4.773 0 50 GJAA O=C(c1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 170614750 SUZGYYWUDHSUPI-UHFFFAOYSA-N 384.690 4.771 0 50 GJAA Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 170631694 CJCSTTPJIXATKB-RBBKRZOGSA-N 392.455 4.585 0 50 GJAA O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 827848702 NQYMXCIMMSPFRI-IBGZPJMESA-N 393.405 4.835 0 50 GJAA O=C(NCc1ccco1)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 1131764 FQIRQQURCXIJRQ-UHFFFAOYSA-N 388.467 4.660 0 50 GJAA O=S(=O)(c1ccccc1)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 1216211 GQPBLJYFQIORFZ-QHCPKHFHSA-N 386.476 4.933 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 2377120 VELAUTBDTWMJEW-UHFFFAOYSA-N 379.803 4.831 0 50 GJAA COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)C(C)C 2840694 VKCBCVCTPRKUKE-UHFFFAOYSA-N 381.259 4.849 0 50 GJAA C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 5986459 JAMVPARARUMFRC-CQSZACIVSA-N 382.920 4.733 0 50 GJAA COc1ccc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)cc1 12571779 SKFMRMJCANEJPI-QFIPXVFZSA-N 392.499 4.840 0 50 GJAA O=C(Nc1ccc2c(c1)CN(C(=O)c1ccsc1)CC2)c1ccccc1Cl 14977970 OMWAROBCQBELID-UHFFFAOYSA-N 396.899 4.852 0 50 GJAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1ccccc1 129132028 USXSKNCHRIURKN-SFHVURJKSA-N 391.475 4.850 0 50 GJAA COc1ccccc1[C@H](NC(=O)c1noc2c1CCCC2)c1ccccc1Cl 170638657 AGZQPHKEFMKOBJ-HXUWFJFHSA-N 396.874 4.735 0 50 GJAA CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2nc(C3CCCCC3)co2)o1 369978062 USTLEYYAYVCELV-KRWDZBQOSA-N 386.496 4.525 0 50 GJAA C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COc2ccccc21 755161074 WUPMRZBMNSIHIH-IIBYNOLFSA-N 395.462 4.591 0 50 GJAA CN1CCC(Oc2ccc(NC(=O)c3cc4c(Cl)cccc4[nH]3)cc2)CC1 952978286 PPYSUAOVCHAMLX-UHFFFAOYSA-N 383.879 4.547 0 50 GJAA COc1c(Cl)cccc1CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 1478107922 AJLDGPSHNMXCCT-HNNXBMFYSA-N 395.890 4.971 0 50 GJAA C[C@H](N[C@H](C)[C@H]1C[C@@H]1c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 1875258706 YFMDTOVBKROXQV-CYGHRXIMSA-N 388.914 4.608 0 50 GJAA Cc1cccc(N2CC[C@H](Nc3ccnc4c(Br)cccc34)C2)c1 1875361572 VSNRDJACWZFICN-HNNXBMFYSA-N 382.305 4.997 0 50 GJAA O=C1[C@@H](c2ccccc2)c2ccccc2N1Nc1ccc(Br)cc1 828980 LISWPIPYZJZIIA-IBGZPJMESA-N 379.257 4.955 0 50 GJAA CCc1cccc(CC)c1NC(=O)COc1ccc(C)cc1Br 951414 TYZGZOQTLLFXGI-UHFFFAOYSA-N 376.294 4.900 0 50 GJAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 1113287 NDWKUQJKUINFSB-UHFFFAOYSA-N 391.536 4.997 0 50 GJAA CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 1123292 BINNTNVJIMRTCW-CQSZACIVSA-N 378.563 4.782 0 50 GJAA CCOc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1O 1152045 DREJBWRWPMIOLB-ZDUSSCGKSA-N 390.277 4.644 0 50 GJAA CCCCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 4105393 VIZHYOQUNVSIAV-AWEZNQCLSA-N 377.843 4.858 0 50 GJAA COc1ccc(Nc2ccc(NC(=S)NCCc3ccccc3)cc2)cc1 4702290 QTZAOYRSCIBOSO-UHFFFAOYSA-N 377.513 4.968 0 50 GJAA O=C(NC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1)Cc1ccncc1 5050963 WRKIXAFDMHSJOL-UHFFFAOYSA-N 375.516 4.762 0 50 GJAA CCN(CC)C(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 6700764 JDZZFUQEUXLBFU-UHFFFAOYSA-N 376.909 4.553 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccc3cc[nH]c3c2)C1 11815793 YLBCVTSQFAGTNY-HXUWFJFHSA-N 389.543 4.503 0 50 GJAA CC(C)C(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@H]1CCCO1 15067394 GGWSSBXZBKIXRV-JOCHJYFZSA-N 399.506 4.611 0 50 GJAA CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccccc4)CC3)ccc21 19773934 GTDNQAWPIPDBDM-UHFFFAOYSA-N 397.522 4.772 0 50 GJAA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 22204963 AOKSARDXSZOHLZ-HNNXBMFYSA-N 392.113 4.556 0 50 GJAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 35822503 GBOYJIHYACSLGN-UHFFFAOYSA-N 383.584 4.991 0 50 GJAA biogenic,in-vitro C[C@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1-c1cnc2cc(O)ccc2c1 65375600 JNTSWYRHEJWBDH-MRXNPFEDSA-N 395.466 4.814 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)ccc1O 65393656 OEOAHYHJZCSAEO-HXUWFJFHSA-N 386.451 4.513 0 50 GJAA O=C(c1ccc(NCc2ccoc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 67741577 YROICXMKVBFYPP-HXUWFJFHSA-N 375.472 4.697 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N[C@@H](C)CCC(C)C)co3)ccc2s1 91934388 ZWJANHVXSZFLBM-ZDUSSCGKSA-N 387.505 4.726 0 50 GJAA CCc1ccc(CN(C)C(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)nc1 96162169 QZMOSYMAGIUXGA-GOSISDBHSA-N 380.536 4.682 0 50 GJAA C[C@@H](Nc1ncnc2[nH]ccc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 170620453 XHSQQVDCWWRHMF-CYBMUJFWSA-N 375.407 4.522 0 50 GJAA COc1ccc(Cl)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 170622965 IZSATEIKNAIAGE-UHFFFAOYSA-N 397.740 4.670 0 50 GJAA Cc1ccc(NC(=O)Cc2nc(CN3CC[C@@H]4CCCC[C@H]4C3)cs2)cc1 248010744 YADUZOYLRIBXLG-ROUUACIJSA-N 383.561 4.645 0 50 GJAA CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2)c1C 299764542 IUZQRSQUYUUZHK-HSZRJFAPSA-N 388.515 4.771 0 50 GJAA O=C(O)c1ccc(-c2cccc3c2sc2ccccc23)nc1N1CCOCC1 299802363 LBZBAQFPNXQVTM-UHFFFAOYSA-N 390.464 4.651 0 50 GJAA COc1cccc([C@@H]2CCCN2Cc2ccc3cc(NC(C)=O)ccc3n2)c1 670445276 DOGVTMSFLOBGRT-QHCPKHFHSA-N 375.472 4.539 0 50 GJAA COc1cccc([C@@H]2CCN(Cc3cc4cc(C)cc(C)c4nc3O)C2)c1OC 952977882 PGENSSRMPKCINF-QGZVFWFLSA-N 392.499 4.564 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc(C)c1C 946934 ZNZILUUMLRXAOZ-UHFFFAOYSA-N 389.517 4.991 0 50 GJAA COc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 1046555 IZZUITLXNCMHLN-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA COc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1063103 OECKIPHSSBWOFJ-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C)sc2c1CCCC2 1066667 HDLUKJPCQBRRPT-CQSZACIVSA-N 387.501 4.518 0 50 GJAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 1096452 XCRMOBDBRKDUPQ-CQSZACIVSA-N 388.920 4.695 0 50 GJAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 1178634 JPWVQGJXFIOUBC-UHFFFAOYSA-N 379.847 4.914 0 50 GJAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Br)c1 1193570 ZAOKOYFUAHHQLX-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc2ccccc2c1 2763628 MUZWHBYOQBDBQN-UHFFFAOYSA-N 383.469 4.658 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 3082432 YAUIJDXPZDUIDM-UHFFFAOYSA-N 386.238 4.893 0 50 GJAA CCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 3321840 NBJVGKJIEDLPJZ-UHFFFAOYSA-N 394.862 4.766 0 50 GJAA CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 4030651 KFAHCXHRNCAASD-UHFFFAOYSA-N 387.545 4.959 0 50 GJAA CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 11819155 HUVZQHAHZRFJTD-UHFFFAOYSA-N 391.563 4.983 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 12429462 WLMQEZPKFYCXIM-IBGZPJMESA-N 396.506 4.968 0 50 GJAA O=C(c1cc(-c2ccccc2)on1)N1CCC(c2nc3ccccc3s2)CC1 32197690 HUSIFSIWYXSHFJ-UHFFFAOYSA-N 389.480 4.971 0 50 GJAA Clc1cccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 101078580 YUMYKLTUPYBVFG-OAHLLOKOSA-N 378.650 4.689 0 50 GJAA CCCCO[C@@H](C)C(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)C)cc1 252511799 KQBRXJUZBGILMS-SIKLNZKXSA-N 390.568 4.610 0 50 GJAA Nc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(c2ccc(Cl)cc2F)C1 1461679435 WVDXRRCXWNPXGN-ZDUSSCGKSA-N 388.701 4.737 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2cn(C)nc2-c2ccccc2)cc1 1506423319 FCSOBWJLOBIDTE-DEOSSOPVSA-N 388.559 4.876 0 50 GJAA c1cncc(Cc2nc(-c3cccc([C@@H]4CCCOC4)c3)n(C3CCCC3)n2)c1 1875349019 KGLXPOSWMZPVDD-OAQYLSRUSA-N 388.515 4.940 0 50 GJAA CCOc1ccc(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)cc1 656121 QXBUKBRVOCWPHF-UHFFFAOYSA-N 399.443 4.992 0 50 GJAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 1064279 FSEWSWOVFYEOHF-UHFFFAOYSA-N 396.221 4.841 0 50 GJAA CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 1165177 KEYGAMJKULMCPR-UHFFFAOYSA-N 387.435 4.742 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 1186234 YWCCGPDHMCEBER-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)cc1Cl 2787335 OEWQQBKOXNKTTB-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cccc2c(-c3ccccc3)ccnc12 2830718 BCTYQXILTCOHBZ-RTBURBONSA-N 388.854 4.924 0 50 GJAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(OC)c1OC 4788979 VQIZEMZOHPZSDU-VELBRHGASA-N 384.472 4.867 0 50 GJAA Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CCCCC1 6772643 GJSPXZNXDGHFSF-UHFFFAOYSA-N 394.494 4.534 0 50 GJAA Cc1ccccc1C[C@@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1 12075162 BJCHDZSDZJKGBL-NRFANRHFSA-N 377.450 4.831 0 50 GJAA COc1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c1 12439166 UAKXGQCNHNNXFY-NRFANRHFSA-N 375.516 4.993 0 50 GJAA COc1cc(F)c([C@@H](C)NC(=O)c2ccccc2SC(F)F)cc1OC 114287679 GMMXGTRDUUJVKM-SNVBAGLBSA-N 385.407 4.649 0 50 GJAA Cc1nnc2ccc(C(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)cn12 225526251 AHUHKKSSJSEGTO-UHFFFAOYSA-N 391.862 4.556 0 50 GJAA Cc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c(C)c1C 726783 RIRQSMAJQXHOHU-UHFFFAOYSA-N 390.306 4.819 0 50 GJAA CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)s1 1199853 IWJCZABUJFOZCX-UHFFFAOYSA-N 390.468 4.577 0 50 GJAA CC1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 3864449 ZYDRSSLYIKMBKE-ZFDSFTMVSA-N 383.576 4.626 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(Cc2ccc(O)c(Cl)c2)CC1 12055328 FPSWFDSHENJSDX-UHFFFAOYSA-N 380.315 4.516 0 50 GJAA Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NCc3ccco3)c12 14889261 YVOWCCVRDOBCET-UHFFFAOYSA-N 384.505 4.657 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N4CCCCCCC4)co3)ccc2s1 15072365 KPIAGABFDSWVGE-UHFFFAOYSA-N 385.489 4.578 0 50 GJAA O=C(Cc1noc(-c2ccccc2Cl)n1)Nc1cccc(Cl)c1Cl 16579572 XLELHQWVEXRHIH-UHFFFAOYSA-N 382.634 4.878 0 50 GJAA Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 22054724 LMXUWARKUIELGT-UHFFFAOYSA-N 394.287 4.853 0 50 GJAA in-vitro O=C(NCc1ccoc1)c1ccc([C@H]2CCCN2Cc2ccccc2F)s1 23367970 RNIWONAUBOKIGA-GOSISDBHSA-N 384.476 4.747 0 50 GJAA Fc1ccc(CC[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1 71767624 YHJFCXOGDKRERO-OAQYLSRUSA-N 381.539 4.530 0 50 GJAA 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O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(F)cc1 944801 MNKBXWSPBZEDKD-UHFFFAOYSA-N 386.806 4.726 0 50 GJAA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(I)cc1 1183349 PDMXRXARONPSLA-UHFFFAOYSA-N 399.231 4.795 0 50 GJAA COC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 4646556 NCQWTRXGAAZTHT-UHFFFAOYSA-N 384.229 4.641 0 50 GJAA CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccco2)cc1 5060526 WREJNPFUKITQNT-UHFFFAOYSA-N 379.456 4.652 0 50 GJAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCc4ccccc4)c3C)C2)cc1 6819393 QFZPAMYAKZZCOC-GOSISDBHSA-N 389.451 4.601 0 50 GJAA C[C@H](NC(=O)c1ccc(N2CCC(NC3CCCC3)CC2)cc1)c1ccccc1 12217917 ILGMHZKMTYXSRK-IBGZPJMESA-N 391.559 4.679 0 50 GJAA Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)c1 14881805 RMBZIDUMWNXBML-NEQMZLFVSA-N 398.510 4.575 0 50 GJAA Cc1cc(C)n(-c2cccc(CN(C)Cc3nc(-c4ccoc4)oc3C)c2)n1 20599722 FDNWOZKLSVMMTG-UHFFFAOYSA-N 376.460 4.678 0 50 GJAA OCC1(CCCc2ccccc2)CCN(C2CCN(c3ccccc3)CC2)CC1 39362347 QXJXZASDTHIBIP-UHFFFAOYSA-N 392.587 4.753 0 50 GJAA CCCCn1cc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cn1 63848857 HVCFAPNEPUPKCY-UHFFFAOYSA-N 376.504 4.751 0 50 GJAA CC(C)(NC(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 110269658 LQOYPWFAOUFGRI-UHFFFAOYSA-N 399.225 4.921 0 50 GJAA CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc12 170651660 PQNURXKVLRASIX-UHFFFAOYSA-N 393.472 4.593 0 50 GJAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 220074707 PDTUOVVUNHWBAU-DEOSSOPVSA-N 375.443 4.535 0 50 GJAA CCc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)o2)cc1 252551912 UKZFUEAVNZZBSX-UHFFFAOYSA-N 378.403 4.785 0 50 GJAA Cc1nn(C)c(C)c1CN(C(=O)C[C@@H](Cc1ccccc1)c1ccco1)C1CC1 1506426907 QLTXAFIUCQWGIA-HXUWFJFHSA-N 391.515 4.538 0 50 GJAA O=S(=O)(Nc1cc(-c2cccc(Cl)c2)on1)c1ccc2c(c1)CCCC2 2325871449 LVKRKOXSJORKHX-UHFFFAOYSA-N 388.876 4.675 0 50 GJAA CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)cc1 1077013 MJOFUAYCGMHBDJ-OAHLLOKOSA-N 395.532 4.604 0 50 GJAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1 4888045 SCYCALPIYQMJES-UHFFFAOYSA-N 391.265 4.888 0 50 GJAA C[C@@H](CC1(C)CC1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 11841737 FZDXIHKAFKGLLT-IBGZPJMESA-N 384.564 4.735 0 50 GJAA COc1ccc2cc([C@@H](C)NC(=O)c3cn(CC4CCCCC4)nn3)ccc2c1 12091819 MUYLHYUZYRKGNI-MRXNPFEDSA-N 392.503 4.511 0 50 GJAA OC[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cc3ccccc3s2)C1 15064645 IYBAOLQNPSBWHS-QFIPXVFZSA-N 387.495 4.997 0 50 GJAA CN(Cc1ccccc1)[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 19316176 GKXKMUYWQLRRMW-HHNLSAEISA-N 397.733 4.644 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71762667 GWDNBDMZPLGUDS-GOSISDBHSA-N 377.463 4.701 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccccc3OC)cc2)n1 72115452 BMQIFWMHAJRJGV-UHFFFAOYSA-N 392.463 4.613 0 50 GJAA CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H](c2ccccc2)C2CCCC2)no1 177427910 WSAJREVJKFFVBD-OALUTQOASA-N 382.508 4.971 0 50 GJAA COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 261494237 SLGSVGADOZCXJI-UHFFFAOYSA-N 393.936 4.872 0 50 GJAA Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4cccc(Cl)c4)no3)c2CO1 263616772 KKZAFKKVWLUNAI-QGZVFWFLSA-N 396.809 4.664 0 50 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AGTGXMQLMNOVND-RUCARUNLSA-N 380.394 4.828 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)c1sc2nc(C)cc(C)c2c1N 950135 VAZSGGDVOXTVBR-UHFFFAOYSA-N 375.881 4.718 0 50 GJAA COc1ccc([C@H](CC(=O)Nc2ccc(OC)cc2OC)c2ccccc2)cc1 1135403 APKPZMOPHYBJEU-OAQYLSRUSA-N 391.467 4.873 0 50 GJAA COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 2843111 AGMVEWYAVGTVSV-IRXDYDNUSA-N 375.259 4.740 0 50 GJAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1S2 4834864 ZBUFWBFHTZIPKX-UHFFFAOYSA-N 399.516 4.726 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 5482457 IESSUKUSVGBDPQ-IBGZPJMESA-N 383.879 4.730 0 50 GJAA O=C(CC1=CCCCC1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12307792 UGSZOLAEXRJZDY-UHFFFAOYSA-N 395.591 4.955 0 50 GJAA O=C(CCC1CCN(Cc2cccc3nonc23)CC1)Nc1ccccc1Cl 15073558 YMDNMABOLGJONF-UHFFFAOYSA-N 398.894 4.507 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)cc1 20426904 BREZFZQOFLHKRW-UHFFFAOYSA-N 379.363 4.526 0 50 GJAA O=C(NCCCC1CCCC1)c1cc(COc2cccc3cnccc23)on1 20777679 BPLLFAUVFPFKEK-UHFFFAOYSA-N 379.460 4.502 0 50 GJAA Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CC[C@H]1CCCN1C 65375674 HAIBSWOAFVAONZ-GOSISDBHSA-N 391.544 4.719 0 50 GJAA C[C@@H](c1ccc(CN2CCc3onc(-c4cccc(F)c4)c3C2)cc1)N(C)C 67714560 GULQNGHWUMGKTE-INIZCTEOSA-N 379.479 4.662 0 50 GJAA C[C@@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 117456072 VFPQXMWFNQLYMY-CYBMUJFWSA-N 399.491 4.727 0 50 GJAA CC(C)(C[C@@H]1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1)C(=N)O 333560632 KVSFXUSBKBIGHX-WVTZPBJPSA-N 388.474 4.791 0 50 GJAA CCOc1c(Cl)cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl 408261429 OTGRKHMJHQSBFS-KZULUSFZSA-N 387.307 4.551 0 50 GJAA Fc1ccc2nc(C3CCN(Cc4ccc([C@@H]5CCCCO5)o4)CC3)[nH]c2c1 952988748 PROJYKXFOPZXLB-FQEVSTJZSA-N 383.467 4.916 0 50 GJAA CCc1cn2c(n1)CC[C@@H](C(=O)OCc1ccccc1Oc1ccccc1)C2 1875343564 NHVPJHGRGABCEN-QGZVFWFLSA-N 376.456 4.544 0 50 GJAA Brc1cccc2nc(N3CC4(CCOCC4)[C@H]3c3ccco3)oc12 1875392820 VSMINWLUNNXVNM-MRXNPFEDSA-N 389.249 4.541 0 50 GJAA COc1ccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)cc1 641613 GFFLPEIYFLREAN-UHFFFAOYSA-N 386.403 4.612 0 50 GJAA biogenic O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 824909 LDIXXNUTMYZROJ-LBPRGKRZSA-N 384.115 4.940 0 50 GJAA Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 2738084 IGDJMRCASYCMPR-IRXDYDNUSA-N 384.501 4.847 0 50 GJAA O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 2999979 KAEMTPMTGFUPAZ-UHFFFAOYSA-N 382.062 4.524 0 50 GJAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 4839443 UHHMDMICLACXMH-UHFFFAOYSA-N 395.503 4.596 0 50 GJAA C[C@H](Cc1cccnc1)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1 11816977 PMFBWYZOUMMNRI-QGZVFWFLSA-N 385.939 4.797 0 50 GJAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2C)cc1 12027535 VHMRTKUQMXJKBB-RUZDIDTESA-N 384.527 4.920 0 50 GJAA CCOc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1OC 12464416 SMBYUKVONDNFIQ-SFHVURJKSA-N 399.556 4.911 0 50 GJAA Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 12477921 RUQWMGNFZOTNIS-QFIPXVFZSA-N 384.479 4.792 0 50 GJAA O=C(/C=C/c1ccccn1)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 15007319 INTSCOLUOAWTIE-SHCNBLLESA-N 396.899 4.597 0 50 GJAA O=C(Nc1ccccc1F)c1ccc([C@@H]2CCCN2Cc2cccnc2)s1 23145283 JGFPROYHWGDWCM-SFHVURJKSA-N 381.476 4.872 0 50 GJAA C[C@@H]1CO[P@](=O)([C@H](NCc2ccccc2)c2ccc(Br)cc2)O1 42378173 MUZKRFLNJBGJNT-GJKYVBSNSA-N 396.221 4.866 0 50 GJAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1Cc1noc(C2CCCC2)n1 65432990 WFNGZVAFNHCZMB-OAHLLOKOSA-N 382.533 4.933 0 50 GJAA COc1cccc(NC(=O)CCC2CCN(Cc3ccc(Cl)o3)CC2)c1 95523620 ZOUSQESJMQNNLP-UHFFFAOYSA-N 376.884 4.573 0 50 GJAA CCCn1ccnc1CCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 170613652 MYVZLMOTIKASCU-IRXDYDNUSA-N 393.453 4.507 0 50 GJAA CC(C)N(C)c1ccc(CNc2cccc(NC(=O)c3cccs3)c2)cn1 240555590 GWNCDHRLIBIQRM-UHFFFAOYSA-N 380.517 4.852 0 50 GJAA O=C1C[C@H](c2ccnc3ccccc23)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253414428 XMACWYDPFYBJKH-LJQANCHMSA-N 395.414 4.612 0 50 GJAA biogenic Cc1nc(Cl)ccc1NC(=O)N1CCC[C@@H](COc2ccccc2F)C1 299781969 RYBDZLFNBTXFKI-CQSZACIVSA-N 377.847 4.505 0 50 GJAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 913232947 PQHGEKVTONDBEO-SGTLLEGYSA-N 391.298 4.762 0 50 GJAA CSc1ccc2c(C)cc(NC3CCN(C(=O)C4CCCC4)CC3)nc2c1 1704356624 HYTUCYIKTGMZSX-UHFFFAOYSA-N 383.561 4.858 0 50 GJAA O=C(Nc1cccc(Oc2ccnc3ccccc23)c1)c1cc(F)ncc1F 1875388296 VKMMIJTWUQXRKC-UHFFFAOYSA-N 377.350 4.953 0 50 GJAA O=C(c1cc(-c2ccccc2)no1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822653 HBKMWFODYIDMTG-UHFFFAOYSA-N 382.847 4.679 0 50 GJAA COc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1CCCCC2 622767 HYUNZCGGCMPAKW-UHFFFAOYSA-N 398.324 4.929 0 50 GJAA COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)cc(OC)c1OC 640438 LBJWTUPCHYTTQT-UHFFFAOYSA-N 390.483 4.738 0 50 GJAA O=C1N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 660468 REAWVTJTRCOUPW-QGOAFFKASA-N 397.356 4.593 0 50 GJAA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc2ccccc12 1130996 YAYUEIZNXPKSDV-UHFFFAOYSA-N 375.497 4.567 0 50 GJAA Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1180873 XCYBHYVSOZPRFP-QPJJXVBHSA-N 381.284 4.534 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)c(OC)c1 11668162 RGXOVBJDGCXGCH-NRFANRHFSA-N 393.487 4.789 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cncs2)C1 12458741 QAGJNLMQYBLLNK-QGZVFWFLSA-N 392.480 4.671 0 50 GJAA CC(=O)c1cc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cs1 12757170 LLTIHWFBDPVCSI-IBGZPJMESA-N 385.529 4.833 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 14996262 GEVNNBAZGUVRKN-QGZVFWFLSA-N 395.503 4.601 0 50 GJAA CC(=O)c1cnc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc1C 16956632 XHHXKTJRVGWKJJ-UHFFFAOYSA-N 389.846 4.995 0 50 GJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2nc(-c3ccccc3)no2)C1 20389588 SYLYDKPGTKIFGG-HXUWFJFHSA-N 399.498 4.726 0 50 GJAA Cn1cc(CN2CCC[C@@H](C(=O)c3cccs3)C2)c(-c2cccc(Cl)c2)n1 55576274 HEWQDFAAGKMZNX-MRXNPFEDSA-N 399.947 4.897 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2F)C1 71758907 ZPCLDUOHOVVCIQ-KRWDZBQOSA-N 377.463 4.701 0 50 GJAA CC(C)(C)NC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 95511806 WDGYMKFCUUXOGP-CQSZACIVSA-N 399.457 4.644 0 50 GJAA CC(C)CO[C@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 154335954 PBBZUJFTGDNZOV-HNNXBMFYSA-N 397.441 4.523 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 175431623 BRGKTZFFSVQWCQ-IBGZPJMESA-N 390.527 4.741 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](CC)C2 239125138 JZDDWFWBEDLKSG-ORIJERBGSA-N 375.534 4.814 0 50 GJAA CC(C)c1oc([C@H]2CCCN2C(=O)NCc2cccnc2)nc1-c1ccccc1 266968489 ZBYHTBUVBPVOTC-LJQANCHMSA-N 390.487 4.907 0 50 GJAA CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)N(C)C1CCC(F)(F)CC1 493127752 AYHWEKVVFPWBKA-UHFFFAOYSA-N 381.854 4.942 0 50 GJAA CCS(=O)(=O)Nc1ccc(NC(=O)C2CC(C)(C)CC(C)(C)C2)cc1C 1464350793 PYLOCFQHPQVDRT-UHFFFAOYSA-N 380.554 4.548 0 50 GJAA C[C@H](CCN1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1)c1ccccc1 2100534477 KFJUJEKTWRHPJR-QGZVFWFLSA-N 377.532 4.533 0 50 GJAA N[C@H](C(=O)N[C@H](c1ccccc1)c1cc(F)cc(Cl)c1)C1CC2(CCC2)C1 2325827457 GREOULZRYJEUID-VQTJNVASSA-N 386.898 4.592 0 50 GJAA CCCOc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccnn1CC1CCC1)[C@H]2C 2325829362 HWIDJHUOQPLAHZ-IRXDYDNUSA-N 381.520 4.620 0 50 GJAA CC(C)(C)CC[C@H]1CCN(c2nnc([C@@H]3CC34CCOCC4)n2CC2CC2)C1 2325839840 GUJWFXRUJUNCMQ-OALUTQOASA-N 386.584 4.625 0 50 GJAA Cc1ccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccccc3)c2=O)cc1 752758 VOFVABHNXPTPSK-UHFFFAOYSA-N 396.425 4.686 0 50 GJAA Brc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 835667 WLCPQAOVWKNKQT-UHFFFAOYSA-N 385.290 4.647 0 50 GJAA CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 942700 DUCYQCQUHPWKHH-SFHVURJKSA-N 386.831 4.834 0 50 GJAA biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1c(F)cc(F)cc1Br 1055357 QSFLAAXXXUMOSN-UHFFFAOYSA-N 393.187 4.943 0 50 GJAA COc1ccccc1/C=C1\CCCC2=C1NC(=S)N[C@H]2c1ccccc1OC 1128507 UOVYQKRGIODRFA-FDGLKFFFSA-N 392.524 4.744 0 50 GJAA O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl 1387985 LBBCYPBBUXIPMQ-UHFFFAOYSA-N 382.634 4.585 0 50 GJAA O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccco1 2979475 IMNCHAHTVKUUDQ-QOBMTOCASA-N 385.375 4.508 0 50 GJAA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/N=C(c3ccccc3)OC2=O)o1 3173585 XWZNJUBPZSHHKU-XSFVSMFZSA-N 395.418 4.785 0 50 GJAA O=C(Cc1nc2ccccc2s1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5740081 IDJZZOYLRCGZFG-UHFFFAOYSA-N 398.793 4.719 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1C)O2 12126623 VFUAYYGZWCTXPE-OAQYLSRUSA-N 399.490 4.907 0 50 GJAA COCc1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1OC 12718688 XDKSISNSWMGLSK-GOSISDBHSA-N 387.907 4.590 0 50 GJAA CCc1ncc(CN2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cn1 14953222 CIARKAXWHQBTHJ-VWLOTQADSA-N 392.591 4.651 0 50 GJAA Cc1nc(CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cs1 426719794 DBYGSPPEQVDTOS-UHFFFAOYSA-N 388.496 4.576 0 50 GJAA FC(F)(F)C1CCC(CN[C@H]2CCc3nc(-c4ccccc4)cn3C2)CC1 1875261090 LYVLMASTXJJTOB-VJFUWPCTSA-N 377.454 4.823 0 50 GJAA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(N[C@@H]2C[C@H]2C(F)(F)F)c1 1875335528 ROXLXWPALVCDCD-HUUCEWRRSA-N 383.801 4.587 0 50 GJAA Cc1cnccc1OC1CCN(C(=O)c2ccc(-c3ccsc3)cc2)CC1 2325875813 CJYZZAXITRYQMD-UHFFFAOYSA-N 378.497 4.802 0 50 GJAA Cc1c(Cl)cccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 1142430 BVGMNOCYFUQPEH-UHFFFAOYSA-N 380.344 4.821 0 50 GJAA Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 1403967 QZMKTQWTPCUZOG-UHFFFAOYSA-N 386.373 4.503 0 50 GJAA Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccncc2)n1 4708225 XRNGUORICYYXCY-UHFFFAOYSA-N 399.285 4.746 0 50 GJAA COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 4814360 QDNPJIUOFDUDPQ-UHFFFAOYSA-N 386.757 4.578 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)c1cccs1 12192021 PHBZHJYZCRSXGJ-INIZCTEOSA-N 397.569 4.514 0 50 GJAA O=C(NCc1ccccc1-c1ccccc1)c1cn(CCCc2ccccc2)nn1 14958977 TVGSHQZEWOBROI-UHFFFAOYSA-N 396.494 4.508 0 50 GJAA OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cc3ccccc3s2)C1 15064644 IYBAOLQNPSBWHS-JOCHJYFZSA-N 387.495 4.997 0 50 GJAA CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CCCC2 17729286 URBKFYKWYFDLPU-UHFFFAOYSA-N 390.530 4.621 0 50 GJAA biogenic O=C(CCC1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccccc1 19144583 AUVWPEGYUHDJHM-UHFFFAOYSA-N 379.529 4.927 0 50 GJAA Cc1nn2c(ncc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccccc1 19818789 WAQQLJLJBCAVLF-UHFFFAOYSA-N 386.842 4.662 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1cccc2nonc12 19851935 HOKJGEVBMSXNRV-LJQANCHMSA-N 387.487 4.520 0 50 GJAA O=C(c1conc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 91846877 BPCCONYYELIINZ-KRWDZBQOSA-N 375.453 4.929 0 50 GJAA CCC[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(F)cc1 227154823 YQSKSJTXFOIYLG-QGZVFWFLSA-N 382.435 4.803 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cn1 245253773 OYOBEWYVPOOXAW-PKAXRTKHSA-N 378.516 4.519 0 50 GJAA O=C(c1coc(C2CCOCC2)n1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 328833694 WIOKHSFFJDAAHY-LJQANCHMSA-N 388.895 4.980 0 50 GJAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 426726742 JGFOEKCNHUFAIK-HNNXBMFYSA-N 377.463 4.987 0 50 GJAA Fc1cc(-c2noc([C@@H](c3ccccc3)C3CC3)n2)ccc1OC1CCNCC1 823406533 SFQRYKATPSIJSZ-NRFANRHFSA-N 393.462 4.548 0 50 GJAA CC(C)c1cc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)no1 1704311562 BQMWMKQSZLGLKI-DEOSSOPVSA-N 388.515 4.735 0 50 GJAA COc1ccc([C@@H]2CCN(C(=O)c3cc4sccc4n3CC3CC3)C2)cc1 1875330716 YMGHZPVOMWPNTI-QGZVFWFLSA-N 380.513 4.751 0 50 GJAA COc1ccc(Nc2nc(C(=O)N(CCc3ccccc3)C(C)C)cs2)cc1 2325738609 LOPSYOALYJIZNY-UHFFFAOYSA-N 395.528 4.989 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 704080 AXHPOVVXDFOWND-UHFFFAOYSA-N 391.496 4.502 0 50 GJAA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Cl 1052531 ABSHLPQCZVMWTO-UHFFFAOYSA-N 383.706 4.918 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C(F)(F)F)ccc1Cl 1203426 UDWOHQIHMWFSIV-HNNXBMFYSA-N 387.741 4.657 0 50 GJAA CCCCC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1OC 2818645 XTBAIIWIIXMMJE-UHFFFAOYSA-N 384.476 4.863 0 50 GJAA CC(c1ccccc1)(c1ccccc1)c1nn2c(-c3ccncc3)nnc2s1 4664928 VGDIGHIZDYBDCD-UHFFFAOYSA-N 383.480 4.602 0 50 GJAA Cc1ccc(Cn2nc(C)c(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2C)cc1 5127261 NYLGCBYWFHWQHR-UHFFFAOYSA-N 392.547 4.947 0 50 GJAA O=C(Nc1ccc2c(c1)CN(C(=O)C1=CCCCC1)CC2)c1ccccc1Cl 11662110 BISNONPEFYYSMK-UHFFFAOYSA-N 394.902 4.977 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1 11666648 OUQXSYCHIBGTLW-DEOSSOPVSA-N 392.591 4.746 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc5ncccc5c4)C3)C2)c1 12318469 DYXJUIITGULTHR-AREMUKBSSA-N 399.538 4.672 0 50 GJAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F 12725553 YKNLEVRIZJQWCF-MRXNPFEDSA-N 396.840 4.753 0 50 GJAA O=C(NC[C@@H]1CC(Cc2cccc(F)c2)=NO1)c1ccc(-c2ccccc2)cc1 14991805 KUMPHCYLORMTHW-QHCPKHFHSA-N 388.442 4.610 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cnn(-c3ccccc3)c2)c1C 15078276 MWXKKBRWAUGJIZ-QHCPKHFHSA-N 397.526 4.842 0 50 GJAA O=C(c1cc(-c2cn[nH]c2)nc2ccccc12)N1CCC[C@H](c2ccccc2)C1 19838242 GETNOPULKUSQCE-SFHVURJKSA-N 382.467 4.645 0 50 GJAA Cc1noc([C@H](C)n2cnc(-c3ccccc3)c2-c2cc3c(cc2C)OCO3)n1 65373438 OZGVAQWEBSBIFU-AWEZNQCLSA-N 388.427 4.555 0 50 GJAA Cn1ccc2c(C(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)cccc21 67459458 WFUDBCKOLWSXRQ-LJQANCHMSA-N 389.282 4.699 0 50 GJAA Cc1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 100142274 UYQNXFGGJSWAGN-OBRGUKLBSA-N 382.463 4.961 0 50 GJAA aggregator O=C(c1noc2c1CCCCC2)N1CCC(c2nc3ccccc3s2)CC1 122616771 NWZDJTDTSRYLLG-UHFFFAOYSA-N 381.501 4.573 0 50 GJAA Cc1oc2ccc(NC(=O)N(C)C3CCN(c4ccccn4)CC3)cc2c1C 225407761 KSKVYWIIZDBYKY-UHFFFAOYSA-N 378.476 4.577 0 50 GJAA CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 249800570 CHKIYNDAMSPSOR-VGAPYMQISA-N 386.586 4.935 0 50 GJAA Cc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1 299798310 SEBYOYBLOGOFLT-RUZDIDTESA-N 387.527 4.835 0 50 GJAA O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc3c(c2)CCC3)cc1 649593 RDABSWVOTHTZBT-UHFFFAOYSA-N 375.443 4.823 0 50 GJAA CC(C)(C)c1ccc([C@]23OC(=O)C4(CCCC4)[C@@H]2OC(=O)C32CCCC2)cc1 1080883 IKFFIXROKMWUGO-UUOWRZLLSA-N 382.500 4.782 0 50 GJAA biogenic CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)Cc1ccccc1 1193657 FSAKRYRVKOACFY-UHFFFAOYSA-N 395.480 4.782 0 50 GJAA CC1(C)Cc2c(sc3c2C(=O)N(c2ccccc2)C2=NCCCN23)CS1 1201074 JDRIGJAEAGRICO-UHFFFAOYSA-N 383.542 4.543 0 50 GJAA CCCN1C(=O)Oc2ccccc2[C@H]1O[C@@H]1c2ccccc2OC(=O)N1CCC 1431522 YJWNGCLKYXDQRE-WOJBJXKFSA-N 396.443 4.849 0 50 GJAA C[C@@H](C[S@](=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072766 NBLZNHXBNSAFNA-CCLHPLFOSA-N 377.553 4.995 0 50 GJAA CCOC(=O)c1sc2nc(C)c(C)c(C)c2c1NC(=O)c1ccccc1OC 4708774 WLFWHEMHJBSBNK-UHFFFAOYSA-N 398.484 4.659 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@](CO)(Cc2ccccc2)C1 11773040 ORVKNBWEGUCOOJ-QFIPXVFZSA-N 382.529 4.529 0 50 GJAA Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 25583088 QBCCPELRUDFBQK-AUSIDOKSSA-N 388.398 4.797 0 50 GJAA CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 29753739 NBHWUCPDWRAPID-UHFFFAOYSA-N 379.810 4.565 0 50 GJAA CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 116408334 PEOMNTQWRGSYTO-KRWDZBQOSA-N 381.524 4.571 0 50 GJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 130546107 PJOZUTGNEOMEIH-CQSZACIVSA-N 382.529 4.670 0 50 GJAA CC(=O)N1CCc2cccc(NC(=O)c3ccc(-c4ccccc4Cl)o3)c21 151332373 IIQGYOFOMUTDLP-UHFFFAOYSA-N 380.831 4.761 0 50 GJAA CC(F)(F)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 186993714 XJVULOYIMOTVLD-QGZVFWFLSA-N 388.414 4.939 0 50 GJAA O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252479203 BAVOQCXAZBBXAU-JOCHJYFZSA-N 394.478 4.618 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 935620 CZYICRHMGLPPLW-CQSZACIVSA-N 375.852 4.540 0 50 GJAA CCc1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 941297 UUDAQBKUGQYDDB-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1C 1159988 LLFNKVLEYCYAAQ-UHFFFAOYSA-N 398.684 4.745 0 50 GJAA CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2312630 DIYDSLQOEMRIJY-UHFFFAOYSA-N 396.270 4.968 0 50 GJAA CCSc1ccccc1C(=O)Nc1ccc(I)cc1 2858549 OGLGTURFLNCUOG-UHFFFAOYSA-N 383.254 4.656 0 50 GJAA Cc1ccc2nc(N(CCCN(C)C)C(=O)CCc3ccccc3)sc2c1 4359545 NRSZLJFVHLGBKL-UHFFFAOYSA-N 381.545 4.522 0 50 GJAA COc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1OC 4754708 KUHPELQSBNETPI-UHFFFAOYSA-N 378.211 4.693 0 50 GJAA CSc1ncccc1C(=O)N1Cc2ccccc2O[C@H](c2ccccc2)C1 11974197 FZKAAZSGCYLZNQ-FQEVSTJZSA-N 376.481 4.580 0 50 GJAA O=C(NCc1ccncc1)c1sc2cccc(Br)c2c1Cl 16605333 NTVLCJCBNSPHBS-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@@H]1c1cccs1 67446793 KOCJWGXJGUIRKH-CQSZACIVSA-N 392.839 4.695 0 50 GJAA COC(=O)Cc1cccc(Br)c1NC(=O)c1ccc2ccccc2c1 170612309 YGZNQGHYWJJWLC-UHFFFAOYSA-N 398.256 4.570 0 50 GJAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1ccccc1Cl 177722606 RIXCBOPZVOEDBQ-INIZCTEOSA-N 397.866 4.689 0 50 GJAA CC[C@@H]1CN(Cc2ccccc2OCc2c(F)cccc2Cl)CCN1C 822730979 ZMFZHVYEWXKYPS-QGZVFWFLSA-N 376.903 4.584 0 50 GJAA C[C@H](c1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)o1)N1CCCCC1 952966956 XTVICWVDRFFPQD-GOSISDBHSA-N 381.520 4.675 0 50 GJAA Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccc(C)s3)C3CC3)c2)n1 952986064 GYTVBACHQDQDIY-UHFFFAOYSA-N 379.529 4.723 0 50 GJAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 1875265783 CBGDCLQOJQYHAP-DFQSSKMNSA-N 392.524 4.729 0 50 GJAA C[C@H](NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(C)(F)F)cc1 1875330117 OTOBUXBMCCVBEO-HNNXBMFYSA-N 397.425 4.658 0 50 GJAA CCOC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3)c1ccccc1 622716 IPNYTKGRGODNKH-QFIPXVFZSA-N 392.451 4.663 0 50 GJAA COc1ccc(O[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1050843 ISEYJDOWMVDUJC-MRXNPFEDSA-N 388.678 4.509 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(OCC)cc3)s2)cc1 2215601 HWPBJNDHAMOOSV-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 14968230 YYCWZJZEKYTIEH-FUDKSRODSA-N 396.575 4.548 0 50 GJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)c1 19940047 QYYSOLXHBKVSIZ-INIZCTEOSA-N 393.491 4.600 0 50 GJAA O=C(c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1)N1CCCCC1 48097469 MSDCXNAEHGIJGV-OAQYLSRUSA-N 377.488 4.682 0 50 GJAA C[C@H](c1ccc(CN2CCc3onc(-c4cccc(F)c4)c3C2)cc1)N(C)C 67714561 GULQNGHWUMGKTE-MRXNPFEDSA-N 379.479 4.662 0 50 GJAA C[C@H](Cc1ccccc1)N[C@H](C)[C@H](O)c1ccc(OCc2ccccc2)cc1 96028140 XYALBGQTXQJAKV-FHAGJXEFSA-N 375.512 4.908 0 50 GJAA Fc1ccc([C@H]2CN(Cc3ccccc3OCc3cccnc3)CCO2)c(F)c1 190136534 KWHDEEVWBOLLOW-HSZRJFAPSA-N 396.437 4.512 0 50 GJAA COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccccc2OC)c1 241897240 TWYHSOUGSVEKBD-IBGZPJMESA-N 392.480 4.757 0 50 GJAA CCN1CCC[C@H](CN(C)C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 426494471 XNAYPPLLVOOZLE-LJQANCHMSA-N 387.527 4.706 0 50 GJAA COc1cc([C@@H](C)NC2CCN(CCC(F)(F)F)CC2)ccc1OC(C)C 463117074 SRMGNGXYBDZIMD-OAHLLOKOSA-N 388.474 4.550 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCC4(CC4)C3)nn2-c2ccccc2)cc1 474784034 IWBXHKNXZGYUNO-UHFFFAOYSA-N 387.483 4.564 0 50 GJAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)c1ccc2cccc(F)c2n1 828170841 VBYRHRVYKTWQIO-SFHVURJKSA-N 380.419 4.574 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)Cc2c(F)ccc(F)c2F)c1 952980406 XCBBYOPSIBCCJO-UHFFFAOYSA-N 390.405 4.722 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)C(C)(C)C)c(C)c3)n[nH]2)s1 952984585 YOIKBBBNQIJWHE-UHFFFAOYSA-N 396.516 4.992 0 50 GJAA O=C(Nc1ccc2c(c1)CCC2)c1ccccc1C(=O)c1ccc(F)c(F)c1 1354126871 PPRHEFNWOGHWHO-UHFFFAOYSA-N 377.390 4.937 0 50 GJAA CC(C)(C)CC[C@H]1CCN(c2nnc([C@H]3CC34CCOCC4)n2CC2CC2)C1 2325839841 GUJWFXRUJUNCMQ-RBUKOAKNSA-N 386.584 4.625 0 50 GJAA COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC 706762 PIHZRVPXWYQXIE-UHFFFAOYSA-N 390.464 4.794 0 50 GJAA O=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2448398 SBODAHJJNSANRY-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA O=C(CCNc1ccc(I)cc1)c1ccc(Cl)cc1 2521061 HDDILZBRCDKRJZ-UHFFFAOYSA-N 385.632 4.630 0 50 GJAA Cc1cc(C)n(C(=O)c2ccc(COc3ccccc3Br)cc2)n1 2764090 MQZPFZPQJBOEJU-UHFFFAOYSA-N 385.261 4.530 0 50 GJAA Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)c1 2796594 CEQWWKMFLUEXLJ-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA C[C@H]1CCC[C@@H](C)N1CCCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 11681740 DTOKETCXTCHCDD-IMSXRSKXSA-N 394.559 4.966 0 50 GJAA in-man c1ccc(Cc2cn[nH]c2C2CCN(Cc3cccc4cccnc34)CC2)cc1 12151116 NIQFHDAHLKIGNJ-UHFFFAOYSA-N 382.511 4.928 0 50 GJAA Cc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)s1 12477796 ZPNCAVUIJDBOGL-OAQYLSRUSA-N 376.610 4.692 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Br 12513623 DPRVXDXIGIWYJV-UHFFFAOYSA-N 397.272 4.696 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC1CCN(C(C)C)CC1 12714542 PYERKDLQSVFKKR-OAQYLSRUSA-N 380.580 4.657 0 50 GJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3cc(OC)ccc3OC)nc21 20605177 ZZOZXEXRESMTCL-UHFFFAOYSA-N 379.382 4.853 0 50 GJAA Cc1cc(C)c2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1 63869439 KDZMVPXINUCWRC-QGZVFWFLSA-N 376.504 4.921 0 50 GJAA Cc1ccc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)cc1 67604114 RDNYWKDIGZEERM-UHFFFAOYSA-N 388.826 4.627 0 50 GJAA COc1cccc2ccc(N[C@@H]3CCCN(CCCc4ccccc4)C3)nc12 72433307 IEEFGLNGABCWIW-OAQYLSRUSA-N 375.516 4.753 0 50 GJAA CO[C@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 72463632 QEBCTIRPEKDBHQ-IBGZPJMESA-N 399.897 4.943 0 50 GJAA O=C(c1cc2c(s1)-c1ccccc1CC2)N(C[C@H]1CCCO1)c1ccncc1 114135945 NKKMNJWGPRTFPM-LJQANCHMSA-N 390.508 4.735 0 50 GJAA COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1cccc(Cl)c1 170615706 MGPPTZWDYJLSOQ-SFHVURJKSA-N 380.831 4.933 0 50 GJAA O=C(Nc1ccccc1CC(F)(F)F)N1CCC(OCC2CCCC2)CC1 177878358 XXTUWDRQYQYBIG-UHFFFAOYSA-N 384.442 4.995 0 50 GJAA O=C(Nc1ncc(Cc2ccccc2)s1)N(Cc1ccco1)C[C@H]1CCCO1 193598320 XJTUSHRDINOSRB-GOSISDBHSA-N 397.500 4.540 0 50 GJAA CCCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)cc1Cl 952978333 QNLCWYDRWXCIMF-OAHLLOKOSA-N 376.884 4.573 0 50 GJAA CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 1022954 JMHHNIGZRMZBKH-JOCHJYFZSA-N 386.451 4.943 0 50 GJAA COc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 1186081 IADGIOSGGLIXEK-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA COc1ccc(CCNC(=O)c2sc3cc(C)ccc3c2Cl)cc1OC 1202957 MLBLCAKWWIRKOP-UHFFFAOYSA-N 389.904 4.853 0 50 GJAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 4610772 SVBDUOMXSTZOEP-INHYGKKTSA-N 399.446 4.768 0 50 GJAA O=C(COc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4749627 AOZYHCYFSOHWLY-UHFFFAOYSA-N 376.437 4.686 0 50 GJAA O=C(O)CCn1c2ccc(Br)cc2c2cc(Br)ccc21 4851966 RAKOBLCSKMUWIA-UHFFFAOYSA-N 397.066 4.794 0 50 GJAA O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccnc1 4866737 MVHMPWTWVOMYCI-UHFFFAOYSA-N 386.238 4.893 0 50 GJAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5631349 DBKJUQTWUYLUEB-QWRGUYRKSA-N 397.283 4.722 0 50 GJAA Cc1ccsc1CN1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 55153254 QPCCJETUSPUCGK-NRFANRHFSA-N 379.525 4.727 0 50 GJAA COc1ccc2cc([C@@H]3CN(Cc4cc(F)ccc4OC)CCO3)ccc2c1 71405566 FKGZIVJRIBCNLK-QHCPKHFHSA-N 381.447 4.570 0 50 GJAA Cc1ccc2c(C)c(-c3nc(C4CCOCC4)nn3CC(F)(F)F)oc2c1 96163210 RZJZMSFMJVSNAU-UHFFFAOYSA-N 379.382 4.764 0 50 GJAA Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1NC(=O)N1C[C@H]2CCC[C@@H]2C1 150820836 CQQHWAUJOALCHP-FCGDIQPGSA-N 396.535 4.523 0 50 GJAA Cc1nc(-c2ccccc2)sc1CNc1cc2c(cc1Cl)NC(=O)CO2 225420602 YKTYVMYBOZMSOH-UHFFFAOYSA-N 385.876 4.715 0 50 GJAA CCCC[B@-]1(N2CCCCCC2=O)c2ccccc2NC(C)=[N+]1c1ccccc1 245309029 AAYJHRCOGLQMEG-RUZDIDTESA-N 389.352 4.727 0 50 GJAA CC(C)(C(=O)Nc1ncc(C2CCNCC2)s1)c1cccc(C(F)(F)F)c1 262115895 VDIPZMCQFRRJPN-UHFFFAOYSA-N 397.466 4.545 0 50 GJAA Cc1cc(C)c(NC(=O)c2cnc(Nc3cc(Cl)nc(C)n3)s2)c(C)c1 1776002822 FZLWOUPYUZRJFU-UHFFFAOYSA-N 387.896 4.816 0 50 GJAA O[C@H]1C[C@@H]2CN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 1800410565 VLSSEKDCSXGGIL-VQFNDLOPSA-N 377.406 4.700 0 50 GJAA CCOc1ccc([C@H](NC(=O)c2coc3cccc(O)c23)C(F)(F)F)cc1 1875342822 ISZZPPDAXKBINV-KRWDZBQOSA-N 379.334 4.571 0 50 GJAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@](C)(c3ccccc3)CC2)c1C 1875345454 YAHCBYIIZVGKIX-ZCYQVOJMSA-N 381.560 4.795 0 50 GJAA Fc1cccc(-c2n[nH]cc2CNc2cc(-c3ccccc3)nc3ccnn23)c1 2325853902 GTFIZWJJYUSMJY-UHFFFAOYSA-N 384.418 4.538 0 50 GJAA Cc1cc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)no1 641850 UQDSQUDVVUAXMN-UHFFFAOYSA-N 384.002 4.547 0 50 GJAA c1ccc(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2-c2ccccn2)nc1 641957 UOJZYBFRNITHCX-UHFFFAOYSA-N 388.434 4.725 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 670973 CSHJCXLXRYPMHL-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 1049459 NMHFSFIIDLARLM-UHFFFAOYSA-N 379.437 4.898 0 50 GJAA O=C(Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 1088523 PDOVHCQFOXDJMM-UHFFFAOYSA-N 380.285 4.897 0 50 GJAA Cc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 1112666 OXPJNBMIQYXBIJ-UHFFFAOYSA-N 390.321 4.750 0 50 GJAA COc1ccc(O[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 1112962 STGBTEFSMDWADH-NSHDSACASA-N 375.222 4.648 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 1152708 HWCRNXINXVKTJG-UHFFFAOYSA-N 378.284 4.617 0 50 GJAA O=C(Nc1cccc(F)c1)c1ccn(COc2ccc(Cl)cc2Cl)n1 2795719 SIJJBOOBPWWQLZ-UHFFFAOYSA-N 380.206 4.618 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4Cl)c3)no2)cc1 2798454 AHTXVGUFDRZKHV-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)cc1 3997662 AKQCKNGCQIGRTL-UHFFFAOYSA-N 380.391 4.605 0 50 GJAA CCCN1C(=O)[C@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 5028304 LWBKWNWLHNVMHJ-DEOSSOPVSA-N 380.451 4.587 0 50 GJAA OCC1(CCOc2ccccc2)CCN(Cc2ccccc2C(F)(F)F)CC1 11957705 BUYDIOUXOWNHMU-UHFFFAOYSA-N 393.449 4.749 0 50 GJAA C=Cc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)cc1 12074243 ZRUUNRHQKMJTGX-DEOSSOPVSA-N 396.481 4.736 0 50 GJAA O=C1CC[C@@H](N2CCC[C@@H](c3ccccc3)C2)CCN1Cc1cccc(F)c1 12190581 LKCZNYXAOVYXCY-FYYLOGMGSA-N 380.507 4.586 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccc(F)c2)C1 15004414 AJJRNHQGIVTPMV-LJQANCHMSA-N 396.535 4.626 0 50 GJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)c(C)n1 20602811 IWWZCOKSFWPIII-UHFFFAOYSA-N 397.429 4.867 0 50 GJAA CCCN1CCC2(CC1)N=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c3ccccc3)N12 25504145 FYYBQIDGJNHVDB-QNWUEUMSSA-N 379.935 4.770 0 50 GJAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36621079 JOPJMXYYUIGWHM-LJQANCHMSA-N 386.879 4.815 0 50 GJAA Cc1cccc(-c2ccccc2C(=O)N2CCC(CCN3CCCC3=O)CC2)c1 82106796 JIQHZUCIRXIEQB-UHFFFAOYSA-N 390.527 4.527 0 50 GJAA O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H](c1cccc(F)c1)C1CCCC1 120942171 VPNVOMJRFLZWIR-HXUWFJFHSA-N 397.450 4.835 0 50 GJAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc([C@@H](C)N2CCCCC2)o1 952974108 YMHVFWFNOVJJHB-QGZVFWFLSA-N 392.503 4.632 0 50 GJAA Fc1ccc([C@H]2CN(c3nc4cc(F)c(F)cc4s3)CCO2)c(Cl)c1 1875306691 CIMVLVAWJOXTKW-OAHLLOKOSA-N 384.810 4.945 0 50 GJAA C[C@H](NC(=O)c1cnoc1Cc1ccccc1)c1ccc2nc(C3CC3)[nH]c2c1 2325825116 FBQVLQYSJCZADW-AWEZNQCLSA-N 386.455 4.510 0 50 GJAA CCOc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 679966 LIRXKAGLGQIHPQ-UHFFFAOYSA-N 397.478 4.868 0 50 GJAA O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc(F)cc1 795647 HZTCMRZCSBGGIR-UHFFFAOYSA-N 398.459 4.541 0 50 GJAA Cc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 1183890 OUOVXJKWUFSGCC-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCC2 2103352 FQNBTAUEZXHAJO-INIZCTEOSA-N 390.332 4.715 0 50 GJAA COc1cc(C=O)cc(Br)c1OCCOc1ccc(Cl)c(C)c1 2866706 WSGVZDHKBLITOG-UHFFFAOYSA-N 399.668 4.690 0 50 GJAA CC(C)OP(=O)(OC(C)C)[C@@H](OC(N)=O)c1ccc(Br)cc1 4006487 PROPYJWTXMIWAU-CYBMUJFWSA-N 394.202 4.586 0 50 GJAA O=c1c(Cl)c(NCc2ccc(F)cc2)cnn1C12CC3CC(CC(C3)C1)C2 4924784 ANRSIGUDHUBZOA-UHFFFAOYSA-N 387.886 4.573 0 50 GJAA CC(C)n1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 12478948 LJCKXFCAMFISHW-QGZVFWFLSA-N 379.426 4.578 0 50 GJAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)no1 12573906 VWVLVTUFFFGJEU-HXUWFJFHSA-N 390.483 4.890 0 50 GJAA CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(N2CCNC2=O)c1 20514102 BYUQOWDBKWWFGD-INIZCTEOSA-N 399.922 4.619 0 50 GJAA Cc1nc(-c2cccc(N3CCC(N[C@H](C)Cc4cccnc4)CC3)c2)cs1 55183249 NBMYRHYHRDDRSL-QGZVFWFLSA-N 392.572 4.703 0 50 GJAA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2nc(C(C)C)cs2)cn1 65493452 RNFQASCOJJKAIC-UHFFFAOYSA-N 375.501 4.944 0 50 GJAA COc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)OC(C)C)CC3)c2)c1 95528705 GFCXZKXTYRPXHW-UHFFFAOYSA-N 396.487 4.558 0 50 GJAA Clc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100726730 BBYZKCGYPAPTTA-MRXNPFEDSA-N 387.668 4.750 0 50 GJAA C[C@@H]1CN(C(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2NC1=O 150763422 PWJRSBKELNVQRQ-OAHLLOKOSA-N 397.434 4.730 0 50 GJAA Clc1cnc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cn1 170610396 DLXCWIZXBQVMJO-UHFFFAOYSA-N 399.932 4.791 0 50 GJAA CC(=O)Nc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCOCC2)cc1 206439058 MXAMJLUUYUFBPG-GYHWCHFESA-N 393.512 4.759 0 50 GJAA Clc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1 263616301 HYZANZFTTLNMKX-QGZVFWFLSA-N 378.819 4.525 0 50 GJAA CC[C@]1(O)CCCN(C(=O)c2ccc(-c3cc(F)c(C)cc3Cl)cc2)C1 584896527 FJAJIROYNVEDNA-NRFANRHFSA-N 375.871 4.832 0 50 GJAA CCC(=O)Nc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)c(C)c1 952962345 DWUAQOVSJZUTSC-JOCHJYFZSA-N 397.494 4.648 0 50 GJAA Cc1cc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(C)s1 1462774722 DADMNFJMYHBCIU-HXUWFJFHSA-N 389.517 4.914 0 50 GJAA CO[C@@H]1CCCN(C(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)C1 1506417074 KTRATUMWEYCONY-LJQANCHMSA-N 379.456 4.571 0 50 GJAA Cc1ccc([C@H](C)CCN2CCCN(C(=O)c3c(F)cccc3Cl)CC2)o1 1529159144 PDQANKYGTBGGJB-OAHLLOKOSA-N 392.902 4.722 0 50 GJAA Cc1cc(C(=O)NCc2cccc(Br)c2C)c2c(c1)[C@H](C)CCN2 2325842537 AEEJKEHOWQJXJM-CYBMUJFWSA-N 387.321 4.915 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(OC)cc2)cc1 1115531 NHLKFMRCCXFZGH-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 1140989 BSYIKQPEJZCEAC-OAQYLSRUSA-N 381.859 4.877 0 50 GJAA biogenic,in-vitro CCC[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 1200900 QTVOHGXLOBFTTJ-GFCCVEGCSA-N 390.936 4.587 0 50 GJAA O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2243689 PTSLRPMRTOVHAB-QFIPXVFZSA-N 387.435 4.741 0 50 GJAA in-vitro CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 2836746 KKJFGHHPZYNQIZ-NSHDSACASA-N 380.872 4.783 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)c1 2873180 PCLLZLZUMICMGN-UHFFFAOYSA-N 387.439 4.808 0 50 GJAA COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1OC 12431329 UXUFCVVSAQSBQV-QGZVFWFLSA-N 385.529 4.521 0 50 GJAA CCCN1CCC(N2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 12706246 UDWOYAXVCGRDPW-QFIPXVFZSA-N 394.559 4.618 0 50 GJAA Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1N1CCCC1=O 21143972 BVRDEQBALHVSOP-UHFFFAOYSA-N 377.271 4.610 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc2c1 63835128 AXWISAMBHHEUPD-INIZCTEOSA-N 376.504 4.786 0 50 GJAA Cc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1C 72140577 JKQKZFLLZQPDMB-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA CCCc1ccc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)o1 91908094 DXWUUGIKDDWZLF-UHFFFAOYSA-N 380.532 4.637 0 50 GJAA Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc4ccccc34)nn12 227143179 LFUVHLVFZDYPGV-UHFFFAOYSA-N 382.452 4.629 0 50 GJAA C=Cc1ccc(CCNC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 253430216 XJWCKWWWGVWAJA-UHFFFAOYSA-N 392.524 4.575 0 50 GJAA O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 1875252180 DTPFWOYFLAKGOO-ZDUSSCGKSA-N 395.409 4.536 0 50 GJAA COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc2ccc(Cl)cc2s1 2325853080 CMGGOJUSFIQFHJ-OAHLLOKOSA-N 379.909 4.797 0 50 GJAA Brc1cc(Br)c(Br)c(Br)c1 641932 YPFCYPZKFQPCOC-UHFFFAOYSA-N 393.698 4.737 0 50 GJAA CC[C@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)CCO1 1025962 CCJRNGSGDXZYOG-RPBOFIJWSA-N 391.511 4.898 0 50 GJAA O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1I 1230012 JMGQTVNPNXKDJT-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 1446751 SLNBHDHFSIFFDP-OAHLLOKOSA-N 392.113 4.807 0 50 GJAA Cc1ccc(C)c(Cn2c(C)nc3c(sc(=S)n3-c3ccccc3)c2=O)c1 2959986 LRHGNGIZUOPKBZ-UHFFFAOYSA-N 393.537 4.952 0 50 GJAA Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1Cl 2978579 SVNNAVBNTNFWFK-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC 2983167 GEHBBAUSCGBYOG-UHFFFAOYSA-N 384.259 4.808 0 50 GJAA CCc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 12299387 QNHQLRJWOMKPEQ-GOSISDBHSA-N 384.520 4.790 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2sccc2C)C3)n1 14978898 ZWUOXMWMBXWAAQ-UHFFFAOYSA-N 396.512 4.530 0 50 GJAA CCOc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1 19634566 REKNXRQSVOURKS-UHFFFAOYSA-N 376.500 4.569 0 50 GJAA CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCOCC1)n2C 19894347 DCWNWWIGOXPIOI-UHFFFAOYSA-N 382.891 4.534 0 50 GJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)no1 36620392 IOERMMHUFQEXGN-GOSISDBHSA-N 382.847 4.981 0 50 GJAA COc1cnc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cc1O 72170085 NOZYJIJQTUTRGG-OAHLLOKOSA-N 394.437 4.659 0 50 GJAA CC(=O)N1CCCN(C(=O)c2sc(-c3ccccc3)nc2C)c2ccccc21 170640476 BJEGRRYWNJJDPD-UHFFFAOYSA-N 391.496 4.522 0 50 GJAA O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cccc(Nc2ccccc2)c1 857496411 AAEZPSGJIUHHGF-FQEVSTJZSA-N 384.838 4.686 0 50 GJAA COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 977648 RPHJBYJERCWWRG-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA CCCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1CC 2764586 ITHBYUIKZKIBPH-HNNXBMFYSA-N 378.321 4.708 0 50 GJAA O=C(CCSc1nc2ccccc2c(=O)n1C1CC1)c1ccc(Cl)cc1 2800434 KXYYLVCBCBGKBY-UHFFFAOYSA-N 384.888 4.750 0 50 GJAA O=C1OCc2c(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cccc21 4783831 MFNSHYVLUKKDDV-UHFFFAOYSA-N 380.403 4.825 0 50 GJAA CCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 4839526 HKGFBMLPFHNOSX-UHFFFAOYSA-N 390.936 4.943 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12612868 DZIIZUBUQNXLTR-GOSISDBHSA-N 392.430 4.577 0 50 GJAA CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(OC)c(OC)c1 13325487 JDXAIVPUODJALM-UHFFFAOYSA-N 389.908 4.928 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@H]3CCc4ccccc4C3)CC2)c1 19222325 PVXYHNQKYWVZOW-QHCPKHFHSA-N 392.543 4.683 0 50 GJAA O=C(Nc1c(Cl)cccc1Cl)[C@H]1CC(c2c(F)cccc2Cl)=NO1 20605895 UZBIAADTKNTXTG-CYBMUJFWSA-N 387.625 4.918 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 247756046 DJBXNRWJGDXHDA-QILLFSRXSA-N 387.911 4.798 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCC3(C)C)nn2-c2ccccc2)cc1 476436973 UIPTVVJKSYLYDH-UHFFFAOYSA-N 375.472 4.563 0 50 GJAA CNC(=O)COc1ccc(NCc2ccc(-c3ccc(C(C)(C)C)cc3)o2)cc1 1461291492 RUGVIHZTXJUOFO-UHFFFAOYSA-N 392.499 4.981 0 50 GJAA O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc2cc(Br)ccc2[nH]1 1875311449 ZLKXMLGFLBAIOX-APWZRJJASA-N 399.288 4.581 0 50 GJAA CCn1cc([C@@H]2OCC[C@H]2CN2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)cn1 1875333987 SPBUGNYQVHZRRK-PJSUUKDQSA-N 394.346 4.907 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 792457 LDSSFOZBQKWKHD-UHFFFAOYSA-N 382.479 4.614 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 935621 CZYICRHMGLPPLW-AWEZNQCLSA-N 375.852 4.540 0 50 GJAA COc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1 948645 SXAUCVPTTRNEIT-UHFFFAOYSA-N 390.224 4.900 0 50 GJAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 2766294 IVQSWGRXIWBWGA-UHFFFAOYSA-N 393.314 4.501 0 50 GJAA COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 2770264 UMJQMNYMVGJEGV-UHFFFAOYSA-N 377.484 4.615 0 50 GJAA COc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1 2829965 WNCIAIVOOOOQNM-UHFFFAOYSA-N 377.362 4.782 0 50 GJAA CCOCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 2848497 IONGOJIGQDVXRC-KRWDZBQOSA-N 385.514 4.547 0 50 GJAA Cc1c(C)c(C)c(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c1C 4100507 JGEDRIPJERBADH-UHFFFAOYSA-N 394.361 4.692 0 50 GJAA COc1ccc(CCNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 4423377 WBICELHIMHQUHH-UHFFFAOYSA-N 388.492 4.944 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 5041249 MKLUVMFYVYLVJQ-UHFFFAOYSA-N 378.303 4.780 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9135095 MYCAZMDYGQEONG-FRFSOERESA-N 392.425 4.558 0 50 GJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1cc3ccccc3[nH]1)C2 14993731 UUXNXCHJHLSGEG-UHFFFAOYSA-N 376.481 4.997 0 50 GJAA Cn1c(Cc2cccs2)nnc1SCc1csc(-c2ccccc2)n1 17078605 MJXOBGJOENCVPO-UHFFFAOYSA-N 384.555 4.883 0 50 GJAA O=C(NCc1nnc(-c2ccccc2)o1)c1ccc(-c2ccccc2Cl)o1 91505086 CIZISGVGPLXXEH-UHFFFAOYSA-N 379.803 4.580 0 50 GJAA C[C@@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H]1c1ccccc1 170643665 UAMDNSIJCZJCRZ-MLGOLLRUSA-N 387.361 4.589 0 50 GJAA COc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1Cl 238899433 GJXGUCGGSXKTPK-KRWDZBQOSA-N 385.851 4.526 0 50 GJAA CSc1ccc2c(C)cc(N(C)Cc3nc(O)c4sccc4n3)nc2c1 1704341033 OUDGHFMBPKFFMR-UHFFFAOYSA-N 382.514 4.612 0 50 GJAA O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1Br 1132655 LXSXKPLZXCOZRJ-UHFFFAOYSA-N 385.286 4.924 0 50 GJAA NC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2 2846360 NLYQVLWTAIQIGK-UHFFFAOYSA-N 394.949 4.500 0 50 GJAA CC(C)COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 3958880 POCBGDLVFATXNY-UHFFFAOYSA-N 376.250 4.514 0 50 GJAA CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)C12CC3CC(CC(C3)C1)C2 4578092 HMCNXFWXSDQLLH-KSVHXXFXSA-N 397.968 4.622 0 50 GJAA CC(=O)c1cc(CN(C)C[C@H]2CCCN(CCc3ccccc3C)C2)cs1 11662947 CTBKWTZHEZAXQU-HXUWFJFHSA-N 384.589 4.646 0 50 GJAA c1coc(CNCc2cc3cc4c(cc3nc2OCC2CCCCC2)OCO4)c1 14995742 LKUQFQNGIGRHNE-UHFFFAOYSA-N 394.471 4.805 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 16652549 BZVLODKKNOLZDE-UHFFFAOYSA-N 382.423 4.508 0 50 GJAA O=c1c2ccc(C(F)(F)F)cc2ncn1CC[C@H]1CCCCN1C1CCCC1 32541452 SPEAAJOVSQPPCT-QGZVFWFLSA-N 393.453 4.603 0 50 GJAA Cc1nn2c(nnc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40395985 NYJLIMBQPXTPHB-UHFFFAOYSA-N 393.878 4.573 0 50 GJAA COc1cccc(N2CCN(Cc3csc(-c4ccccc4Cl)n3)CC2)c1 55060361 CFXTYQCBRKIMIT-UHFFFAOYSA-N 399.947 4.794 0 50 GJAA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@@H](C)C3)c2C)cn1 63884284 OFSPDXYADGEODR-MRXNPFEDSA-N 376.504 4.607 0 50 GJAA CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 100148332 COLOXOVVOKQLDC-IEZKXTBUSA-N 384.431 4.629 0 50 GJAA Cc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c(C)n1-c1nccs1 170648813 LHDSHZZGTGUJSR-UHFFFAOYSA-N 386.496 4.787 0 50 GJAA COc1cccc(-c2ccc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)o2)c1 952978473 CMUXWOUXEZJQHN-HXUWFJFHSA-N 393.439 4.765 0 50 GJAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]21 1704337908 HWKYULXKTMAQAB-QMMLZNLJSA-N 375.434 4.825 0 50 GJAA COc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c(OC)c1 1875322770 HANMEKJJQDVOKN-UHFFFAOYSA-N 380.284 4.683 0 50 GJAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)(C)C)cc3n2)cc1C 650801 WDUZLPNUJFOQDE-UHFFFAOYSA-N 390.409 4.560 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CC[C@@H](C)C2 715717 UAZVEPLHXAFYAZ-SNVBAGLBSA-N 379.428 4.580 0 50 GJAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 996191 NJRPCHGRBWBMNG-LLVKDONJSA-N 376.547 4.702 0 50 GJAA aggregator Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 1158445 SDDDBKARABZRMQ-UHFFFAOYSA-N 391.298 4.793 0 50 GJAA COc1ccc(NC(=O)Nc2ccccc2C(=O)OCc2ccccc2F)cc1 1168751 KPMXQUCKCMBDAW-UHFFFAOYSA-N 394.402 4.835 0 50 GJAA CC[C@H](C)c1ccc(NC(=O)c2cc(Br)ccc2OC)c(O)c1 1170601 KQLZPGBZUVPYKJ-NSHDSACASA-N 378.266 4.929 0 50 GJAA COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc(OC)c1OC 1184231 ZLJOJPWYGSIOSP-UHFFFAOYSA-N 398.484 4.705 0 50 GJAA O=C1c2ccccc2C(=O)N1c1ncc(Cc2cc(Cl)ccc2Cl)s1 1207259 HWXQOEWCKKPLAN-UHFFFAOYSA-N 389.263 4.841 0 50 GJAA CCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1 5057585 QTDYVSIBWGVBKU-UHFFFAOYSA-N 394.540 4.805 0 50 GJAA in-vitro CC1(C)[C@H]2CC=C(CN3CCOc4c(O)cc(-c5cccnc5)cc4C3)[C@@H]1C2 12242755 ASHALTOHYXGDIZ-SFTDATJTSA-N 376.500 4.641 0 50 GJAA Cc1ccccc1OCCCCn1c(CCNC(=O)C(C)C)nc2ccccc21 12438226 GGFXBLREKDQKHF-UHFFFAOYSA-N 393.531 4.519 0 50 GJAA Fc1ccccc1-n1ncc2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 20603096 BBRLYEQVJDMKEC-UHFFFAOYSA-N 383.329 4.893 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2ccccc2F)C1 20918052 HUZZHEAKJCDQIX-LJQANCHMSA-N 396.535 4.626 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(C)c3)no2)cc1OC 36621203 CEDRBZRMDQLPOJ-LJQANCHMSA-N 392.455 4.645 0 50 GJAA O=C(NCc1ccco1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 72412423 CTMSHXSNPCEHCD-HNNXBMFYSA-N 380.410 4.853 0 50 GJAA O=C(CCSc1ccc(F)cc1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 170600583 YEZUIXVKFNHWJJ-QGZVFWFLSA-N 397.519 4.596 0 50 GJAA CC[C@@H](CN(CC)C(=O)Nc1cccc(N2CCOC2=O)c1C)c1ccccc1 187417740 DNJAYLSCOJERIR-SFHVURJKSA-N 395.503 4.999 0 50 GJAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCCC[C@H]1c1cccnc1 299800452 VWXNSCGPMZBIBR-IBGZPJMESA-N 377.444 4.564 0 50 GJAA O=C(NC[C@@H]1CCCN(c2nc(-c3ccccc3)cs2)C1)C1CCCCC1 952973928 INIKTJRUDJNYBK-KRWDZBQOSA-N 383.561 4.723 0 50 GJAA Cc1cncc(C(=O)N2CCCN(Cc3ccc(C4CCCCC4)s3)CC2)c1 1775982359 KQFBTJQZIJLWSO-UHFFFAOYSA-N 397.588 4.847 0 50 GJAA Cc1ccc(N[C@@](C)(C(=O)NC[C@H]2CC[C@@H](N(C)C)CC2)c2ccccc2)cc1 2356145299 KMFQSNSQPMJJLF-JHMXWDHMSA-N 393.575 4.559 0 50 GJAA COc1cc(Br)ccc1CNc1ccc(OC(F)(F)F)cc1 1085080 AWSFAZJBXGBLPK-UHFFFAOYSA-N 376.172 4.968 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 1138264 JROMFGMUWRARPV-UHFFFAOYSA-N 383.245 4.813 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc2ccccc2o1 1146048 RFHYVQMMINDWNX-UHFFFAOYSA-N 399.903 4.813 0 50 GJAA CCCSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 2187906 GCYOEQVFAZJWRG-QFQMRYFISA-N 376.485 4.885 0 50 GJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2463928 ONRXQJYDOVSGII-GHMZBOCLSA-N 385.357 4.818 0 50 GJAA CCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4070908 MSRXUNNDBUWNII-HUUFRCNWSA-N 396.575 4.698 0 50 GJAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 12578370 UOIKKCGVZPDDKH-LJQANCHMSA-N 395.462 4.518 0 50 GJAA Cc1cc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc(C)n1 12705501 XIOZDCDYRARUFM-UHFFFAOYSA-N 396.922 4.637 0 50 GJAA Cc1noc(C)c1CCCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 55325714 ANUADLBWLINLGO-JOCHJYFZSA-N 380.463 4.702 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)n1 64801253 GGHODSKPTJEZDZ-UHFFFAOYSA-N 376.464 4.913 0 50 GJAA CCOC(=O)C(CC(=O)O)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 71769534 SEKTWSBVPVTHCU-UHFFFAOYSA-N 379.239 4.833 0 50 GJAA CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O 73196066 JWYIGNODXSRKGP-UHFFFAOYSA-N 388.876 4.797 0 50 GJAA investigational C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 122326570 UDIOIHXCIPIDDH-BEFAXECRSA-N 394.496 4.613 0 50 GJAA FC(F)(F)c1cccc(C2(CNc3ccnc(C4CC4)n3)CCOCC2)c1 170624755 LLHGTKXGIPJRBZ-UHFFFAOYSA-N 377.410 4.533 0 50 GJAA O=C(c1csc(Cl)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 189516544 VBNKMRGRLFBVTM-QMMMGPOBSA-N 380.844 4.897 0 50 GJAA COc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1OC 238900020 HSSWVMXIGFZDAO-VGSWGCGISA-N 392.480 5.008 0 50 GJAA O=C(NCc1cc(C(F)(F)F)ccc1F)N1CCCC[C@H]1c1cccnc1 426379713 LVKSCLJDPYMSKB-KRWDZBQOSA-N 381.373 4.676 0 50 GJAA COc1cccc(C)c1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 455290984 PWPDUMQEUXEHBV-UHFFFAOYSA-N 399.438 4.890 0 50 GJAA Cc1ccc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1C(F)F 1529194663 BJKCUZWUOLZJJD-ZWKOTPCHSA-N 376.447 4.820 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccccc23)cc1Br 1875325190 SYVKYMRFKOUAKS-UHFFFAOYSA-N 391.286 4.987 0 50 GJAA O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1 1161653 XXRALQMOYBZHSU-QHCPKHFHSA-N 387.866 4.980 0 50 GJAA Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1Cl 1166081 YAPFXBXPTSHIQH-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA Cc1ccc(/C=C(/NC(=O)c2cccc(Cl)c2)C(=O)Nc2ccccc2)o1 1201789 WTUMXBSFZXVRAO-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA CCOC(=O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 4653379 UQAPDJQRANMMJD-FRXJQHJJSA-N 389.923 4.667 0 50 GJAA CC(C)CCCN1CC[C@@H](N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)CCC1=O 12242323 BESKPXOMKCVXMF-FPOVZHCZSA-N 396.579 4.887 0 50 GJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC(F)(F)F)cc1 12456940 CUFCMIUPLMJLOI-INIZCTEOSA-N 379.426 4.616 0 50 GJAA CCC(CC)CN1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(OC)c(Cl)c1 14995445 ASGNHKXBJZVHJN-KRWDZBQOSA-N 378.944 4.825 0 50 GJAA CCn1ncc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)c1C 20605383 MACXXFYMPJYGAC-UHFFFAOYSA-N 389.356 4.770 0 50 GJAA CCCCn1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3cccc(C)c3n2)cn1 63872173 BUMROEJZLHESGG-QGZVFWFLSA-N 376.504 4.831 0 50 GJAA CC(C)SCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67856188 FBRIJLXOMPZMMV-UHFFFAOYSA-N 391.920 4.575 0 50 GJAA C[S@@](=O)Cc1ccc(Cl)c(NCc2nnc(-c3ccccc3Cl)o2)c1 133903557 RCUKOCLZGJTNLP-VWLOTQADSA-N 396.299 4.534 0 50 GJAA CC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2)nc1 534664780 QJQCWSDOXDKNAH-HSZRJFAPSA-N 385.467 4.570 0 50 GJAA Cc1n[nH]cc1C1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1 803638818 HHFKXMVXHMXATH-UHFFFAOYSA-N 387.911 4.713 0 50 GJAA O=C(NCc1cnc(O)c2ccccc12)N1CCCC[C@@H]1c1ccc(F)cc1 924811383 WAYSLTOIDCSITM-HXUWFJFHSA-N 379.435 4.516 0 50 GJAA Oc1ccc(F)c(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1F 1462187051 FMYDHTIBXKJNRT-LBPRGKRZSA-N 387.257 4.736 0 50 GJAA Cc1cccnc1-c1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875331491 JRBSKMMEWXCKLV-JTQLQIEISA-N 394.656 4.996 0 50 GJAA O=C(c1coc(C2CCCCC2)n1)N1CC(OCc2cccc3ccccc23)C1 1875333259 LGZQJNMBDSUTLZ-UHFFFAOYSA-N 390.483 4.917 0 50 GJAA Cc1cc(S(=O)(=O)Nc2c(C)nn(C(C)(C)C)c2C)c(Cl)cc1Cl 2325821190 QEAVHHVVLTTYLI-UHFFFAOYSA-N 390.336 4.671 0 50 GJAA O=C(CSc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1 634625 ROMSEERKEIFVDB-UHFFFAOYSA-N 376.503 4.945 0 50 GJAA CNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 643898 ZBLSFTRBWQRAFZ-NSHDSACASA-N 376.547 4.573 0 50 GJAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1Br 1166454 UVGFGKIAYBWVBJ-UHFFFAOYSA-N 379.685 4.955 0 50 GJAA Fc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 1172068 ZZTPVAFZSMQDGU-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1Cl 3196505 IZVBONMVWLTLNT-UHFFFAOYSA-N 397.702 4.905 0 50 GJAA in-vitro O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1Cl 36241914 JCXZHFCBNFFHRC-UHFFFAOYSA-N 377.636 4.589 0 50 GJAA in-vivo CCN(Cc1ccncc1)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12 63869981 AZQFBYKHIKCZGN-UHFFFAOYSA-N 399.498 4.737 0 50 GJAA Cc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 64045198 CNHJNJWSIJFHNU-UHFFFAOYSA-N 381.907 4.934 0 50 GJAA CCOC(OCC)[C@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 71769906 PRYSVVKVMMWGFS-MRXNPFEDSA-N 379.909 4.703 0 50 GJAA COCCn1ccc2ccc(NC(=O)N(C)[C@H](C)c3sc(C)nc3C)cc21 179447090 CCUDBKXEMXMMOY-CQSZACIVSA-N 386.521 4.586 0 50 GJAA CC(C)CC1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 239386655 PVUXWNDCPLTTRY-ICSRJNTNSA-N 385.305 5.689 0 50 GJAA COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)ccc1O 263585898 NQYSROZBGVNGOE-SFHVURJKSA-N 398.462 4.878 0 50 GJAA biogenic Cc1nc(C(F)(F)F)c(COC(=O)[C@@H]2CSC[C@H]2c2ccccc2)s1 845414088 ZOYQJSGJYZVUMY-QWHCGFSZSA-N 387.448 4.660 0 50 GJAA O=C(c1ccc(N2CCCC2)cc1)N1CCCC[C@H]1CCc1cccc(O)c1 952977822 LBZQUCIXAGKKBA-QFIPXVFZSA-N 378.516 4.620 0 50 GJAA C[C@@H](CNC(=O)N1CCC(c2cccc3cnccc23)CC1)c1ccsc1 1875264040 BYCPWZVQXPEBRP-INIZCTEOSA-N 379.529 4.989 0 50 GJAA Cc1ccc(CCCCC(=O)Nc2ccc(OCCn3ccnc3)cc2)cc1 2325725400 DFXPXDFEEJOLNF-UHFFFAOYSA-N 377.488 4.622 0 50 GJAA OCc1ccccc1C1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 2325749366 DMWBTRMCVXBXOG-UHFFFAOYSA-N 376.475 4.760 0 50 GJAA C[C@H](c1ccc(Br)cc1)c1noc(-c2ccc3c(c2)CCC[C@H]3N)n1 2325821993 URQMVRBVQVJLQM-KZULUSFZSA-N 398.304 4.987 0 50 GJAA CCOc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCC3)cc1 722370 BJOVPPVHIQVDMO-UHFFFAOYSA-N 386.517 4.872 0 50 GJAA Cc1ccccc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O 941284 TTWMVWYAOSQJIM-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA COc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 1026405 MCQFFDGNIAAKNY-UHFFFAOYSA-N 395.509 4.546 0 50 GJAA CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1 1073006 IPRWSYWFNVGXIM-UHFFFAOYSA-N 388.423 4.503 0 50 GJAA O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cncc(Br)c1 1791426 BGFXVISTQIZFDR-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA CCOc1ccccc1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 2870570 JQFCSQTYSUMHGA-DHZHZOJOSA-N 397.525 4.995 0 50 GJAA CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)cc2)CC1 4702969 AWKFOICZRKLWFY-UHFFFAOYSA-N 388.552 4.771 0 50 GJAA CCOC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c(C)c2C)cc1 4844668 KNBGOXHEJQYWAO-UHFFFAOYSA-N 390.277 4.803 0 50 GJAA S=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 13828137 MFLNRTKARSUFLO-UHFFFAOYSA-N 394.371 4.944 0 50 GJAA CC(C)n1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cn1 14950477 YVLUVVBNBIQLFZ-NRFANRHFSA-N 377.517 4.550 0 50 GJAA CCOc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 19146644 MIAUZXMRRCJROG-LJQANCHMSA-N 379.479 4.994 0 50 GJAA CCc1nnc(-c2ccc(NC(=O)N(C)[C@@H](C)c3sc(C)nc3C)cc2)o1 176009517 STUKTTWGMMCFRR-LBPRGKRZSA-N 385.493 4.597 0 50 GJAA CSCC[C@H](C(=O)NCc1cccc(-c2nc(C)cs2)c1)n1cccc1 263588512 VBLWZDWOUKVTEO-GOSISDBHSA-N 385.558 4.531 0 50 GJAA O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1CN1CCCCC1 828075128 OACGAJVWLGPEPE-UHFFFAOYSA-N 376.422 4.873 0 50 GJAA C[C@@H](c1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)o1)N1CCCCC1 952966960 XTVICWVDRFFPQD-SFHVURJKSA-N 381.520 4.675 0 50 GJAA CC(C)[C@H](C)n1nc([C@H]2CCCO2)nc1-c1cccc(OCc2cccnc2)c1 1875331116 QAHCNDLOHLTWPI-LAUBAEHRSA-N 392.503 4.988 0 50 GJAA C[C@@H](C[C@@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 1022326 AMSBUBOVKJWMOA-GAJHUEQPSA-N 398.470 4.543 0 50 GJAA Cc1cc(SCC(=O)Nc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2209522 JSDLYQRFIREAGJ-UHFFFAOYSA-N 388.496 4.744 0 50 GJAA O=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1)c1cccc(Cl)c1 4506501 ZBIMFLVKCFFJPH-UHFFFAOYSA-N 394.814 4.543 0 50 GJAA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 4659544 CXQMVKQEQARCJS-DTQAZKPQSA-N 384.435 4.573 0 50 GJAA O=C(CCc1ccccc1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 11789785 XOAMRYLOAQIWPJ-GOSISDBHSA-N 395.453 4.694 0 50 GJAA Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccccc1 11817520 ZUUGADIMSNTNEW-OAHLLOKOSA-N 390.512 4.600 0 50 GJAA COC[C@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 12837012 CHPSXJUYWBSKJZ-IBGZPJMESA-N 393.506 4.845 0 50 GJAA O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCCCC1 15061745 GBOMWDMQKHFDPF-UHFFFAOYSA-N 379.407 4.708 0 50 GJAA CN(Cc1ccno1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 19537116 AUFFMHALIGGKNQ-UHFFFAOYSA-N 396.853 4.952 0 50 GJAA c1ccc(Cc2cn[nH]c2[C@@H]2CCCN(Cc3cccc4cccnc34)C2)cc1 20600027 WIWIHPVFFVNHKZ-JOCHJYFZSA-N 382.511 4.928 0 50 GJAA O=C1CCCN1c1cccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 96151641 DJZWYFDQLRPDBZ-HXUWFJFHSA-N 381.451 4.712 0 50 GJAA O=C(NCc1ccccc1Oc1ccccc1)c1cnc([C@@H]2CCCO2)s1 119987665 OXBSMRYVDCIVHO-SFHVURJKSA-N 380.469 4.717 0 50 GJAA CCCN(CCc1ccccn1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 172917476 NVGLMSZZPXOVAX-UHFFFAOYSA-N 389.421 4.687 0 50 GJAA Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)co1 186637524 SQNFKOSFKJDEOZ-INIZCTEOSA-N 381.259 4.528 0 50 GJAA O=C(COc1cccc2c1ccn2Cc1ccccc1)Nc1ccc(Cl)nc1 253414501 XRHDPEYBEARXHG-UHFFFAOYSA-N 391.858 4.756 0 50 GJAA CN(C(=O)c1cscn1)[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl 361803316 HXDQMMZCURDFFH-INIZCTEOSA-N 378.284 4.707 0 50 GJAA Cn1c(C(=O)Nc2ccccc2OC[C@H]2CCCO2)ccc1-c1ccccc1 828163237 FGHXDFPARPMCMF-GOSISDBHSA-N 376.456 4.502 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 1506400791 LCBXYEHCRAZEJW-HXUWFJFHSA-N 391.433 4.551 0 50 GJAA CCO[C@H](C)c1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875331590 ONDMITWMPUZNDY-RKDXNWHRSA-N 375.650 4.723 0 50 GJAA Cc1cc(C(=O)COC(=O)[C@]2(C)CC[C@H](C)C2)c(C)n1CCc1ccccc1 1875343462 JZILQYROKZEOHK-BXKMTCNYSA-N 381.516 4.900 0 50 GJAA Cc1sc(Br)nc1CN1CCc2ccccc2[C@H]1C(F)(F)F 2325828101 YQGVCAPCQMMQHA-ZDUSSCGKSA-N 391.256 4.876 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 786522 RKRQZPIYQMPJNE-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@H]1c1ccccc1 855124 SQUBRDVTJIYWBG-NRFANRHFSA-N 381.522 4.790 0 50 GJAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCCCCC1 12316022 QERYEGJPRMDOOE-UHFFFAOYSA-N 382.382 4.679 0 50 GJAA Cc1cccc(CNC(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 12440683 VDBXERCQUAUFTE-OAQYLSRUSA-N 380.875 4.587 0 50 GJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c(OC)c1 13331390 PIQSWFMKUADFLO-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C 63855385 SGPYVXSTDKJINC-UHFFFAOYSA-N 376.504 4.994 0 50 GJAA O=C(c1c[nH]c2ccccc12)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 67843445 HNPKSNNBMLPEEM-UHFFFAOYSA-N 384.483 4.502 0 50 GJAA CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C1CCOCC1 72422974 YUNUAJUNHVAURF-UHFFFAOYSA-N 399.897 4.943 0 50 GJAA CC(=O)NCC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2cccc(C)c2)c1 95519635 AHJQUKUPWLEKNY-QFIPXVFZSA-N 379.504 4.575 0 50 GJAA C[C@@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112970160 YNELJETWNMPEEH-JXFKEZNVSA-N 383.488 4.900 0 50 GJAA in-vitro CCN(C1=C(c2ccccc2)C(=O)N(c2cccc(OC)c2)C1=O)c1ccccc1 170035805 PKXYLZWAXRIWRG-UHFFFAOYSA-N 398.462 4.506 0 50 GJAA Cc1ncc(Cl)c(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)n1 170640118 QQAVNUOJWBUJLL-IBGZPJMESA-N 377.831 4.704 0 50 GJAA O=C(O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226341112 MMVFJHKYHUJQCC-SNAWJCMRSA-N 385.616 4.918 0 50 GJAA Cc1sc([C@H](C)Nc2ncnc3nc(N)ccc23)nc1-c1ccc(Cl)cc1 302660076 LNCUNRVCBBJQRK-JTQLQIEISA-N 396.907 4.865 0 50 GJAA C[C@H](NC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 1311523284 HAGBZPYPFIESKR-DOXZYTNZSA-N 386.540 4.546 0 50 GJAA CC(C)(C)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CC3CCC1CC3)CCC2 1875342914 MVRRKXSIAXARBJ-NRXISQOPSA-N 388.577 4.778 0 50 GJAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCOc1ccc(-c2ccccc2)cc1 2325707847 AQMGTVVOZQHXNG-QFIPXVFZSA-N 391.515 4.550 0 50 GJAA COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccc(Cl)cc1 1213440 WBGBILXHFMYXOL-UHFFFAOYSA-N 383.629 4.533 0 50 GJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 1425130 KSINEUOJPAEPLZ-QGZVFWFLSA-N 394.515 4.791 0 50 GJAA CCCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCCC2 2083770 MUOSBKGHUJGHSD-UHFFFAOYSA-N 387.501 4.845 0 50 GJAA CCOC(=O)CCc1c(C)c2ccc(OC/C=C/c3ccccc3)cc2oc1=O 2150183 YTMTXNJALFYIKN-JXMROGBWSA-N 392.451 4.689 0 50 GJAA biogenic O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc(Cl)cc1Cl 2797784 OGBWHXOUZZNPDK-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA CC(C)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 4757093 LPBVHVJXPXEHTC-UHFFFAOYSA-N 394.496 4.863 0 50 GJAA Cc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)cc1Cl 8588506 FDLVWJLZVMRTCS-UHFFFAOYSA-N 393.874 4.635 0 50 GJAA Cc1cnccc1CN(C)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 12299933 YNRMJDIQOGLDIY-UHFFFAOYSA-N 396.903 4.692 0 50 GJAA Cc1cc2c(cc1CN[C@@H]1CC(C)(C)Cc3nc(C(C)(C)C)ncc31)OCO2 12302771 GMAQRFGVNXVNRB-QGZVFWFLSA-N 381.520 4.615 0 50 GJAA Cc1ccc(C)c(-n2cc(CNCCCn3cccn3)c(-c3ccccc3)n2)c1 12715166 NRBUOGJEVXEQAN-UHFFFAOYSA-N 385.515 4.533 0 50 GJAA COc1cccc(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 17124754 MZCPQURZSYAXMR-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA COc1ccc(CC2(CO)CCN(Cc3ccc(-c4ccco4)cc3)CC2)cc1 20406424 RDPNILQEKAKPBM-UHFFFAOYSA-N 391.511 4.772 0 50 GJAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccccc2)on1 32593954 FRSYHUKQCZXNDL-HXUWFJFHSA-N 395.890 4.562 0 50 GJAA Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c2)n1 161968399 LOLMSSUZLNTGEW-UNMCSNQZSA-N 390.487 4.531 0 50 GJAA CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)O 252540074 ORXOWLQQKRYEGW-VIZZQPHQSA-N 391.870 4.617 0 50 GJAA Brc1cc(CNC2=NCCN2Cc2ccccc2)cc2ccccc12 2325863306 DASXJVCAZIKHGY-UHFFFAOYSA-N 394.316 4.564 0 50 GJAA COc1ccc(C(=O)N[C@H](Sc2ccccc2)C(Cl)(Cl)Cl)cc1 725814 TUXXXYNQMRPODQ-OAHLLOKOSA-N 390.719 4.914 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 849774 OHLVRZUWQVWOOO-UHFFFAOYSA-N 394.283 4.698 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 882139 VTOYIMMQULWUKV-UHFFFAOYSA-N 387.917 4.899 0 50 GJAA COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl 1155894 MASJMDDFIVLWTQ-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 2812304 CITVAHBEZCQPHC-UHFFFAOYSA-N 376.456 4.759 0 50 GJAA CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1ccco1 5060050 LTXMYFMRJHEACI-VWLOTQADSA-N 399.446 4.806 0 50 GJAA CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(OCC)c1 15010529 DXPBPFPYPQPRBA-UNOMPAQXSA-N 383.469 4.721 0 50 GJAA C[C@@H](CC(=O)O)CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 17077782 YAUSYOWZHRYFRW-CQSZACIVSA-N 380.469 4.917 0 50 GJAA CCc1cc([C@@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)on1 33086798 YRLYKKCAPYDLKG-INIZCTEOSA-N 385.851 4.831 0 50 GJAA CCC[C@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 63855843 QPCBZINZJUNECK-INIZCTEOSA-N 376.504 4.959 0 50 GJAA Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc12 65455692 NNDGSXBPWALWGJ-UHFFFAOYSA-N 381.439 4.699 0 50 GJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)C[C@H]2CCCCO2)o1 72454054 LXRVNUQSIQNMLW-HXUWFJFHSA-N 383.467 4.581 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc23)on1 95358835 ZYWLQFGVMCNLAB-OAQYLSRUSA-N 384.439 4.571 0 50 GJAA C[C@H](C(=O)N1CCn2cccc2[C@@H]1c1ccccc1)n1ccnc1-c1ccccc1 134196437 JBDVSPOSGPUKOI-XXBNENTESA-N 396.494 4.544 0 50 GJAA Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1 170610878 VGRMHOWIOHAGFC-HNNXBMFYSA-N 387.505 4.776 0 50 GJAA Cc1ccc(-c2noc([C@H](C)Nc3ccc4c(c3)CCCC(=O)N4)n2)cc1F 171435531 ZKAJMKHWTLUFFF-ZDUSSCGKSA-N 380.423 4.632 0 50 GJAA CC(C)(C)OC(=O)N1CCN(c2ccc(Br)c3ccccc23)CC1 204150198 UDKJOXLBVXZYEW-UHFFFAOYSA-N 391.309 4.659 0 50 GJAA O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(N2CCc3ccccc32)CC1 410281203 GFQHMAIZNCQWNN-RPBOFIJWSA-N 396.534 4.997 0 50 GJAA Cc1ccsc1CN(C)C(=O)C1(c2ccc(Br)cc2)CCC1 493837590 HMKNODBOFBPJQX-UHFFFAOYSA-N 378.335 4.899 0 50 GJAA O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CC2CCC1CC2 1319766146 PLCPWCSOFYRJAH-AUCFXJAVSA-N 385.508 4.911 0 50 GJAA O=C(Nc1ncc([C@@H]2CCCCO2)s1)N1CCC[C@@H]1c1ccccc1F 2325789979 AKRDBHDROXQPLB-CVEARBPZSA-N 375.469 4.893 0 50 GJAA COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1177619 VXZPWRVCULUTHS-UHFFFAOYSA-N 390.464 4.989 0 50 GJAA COc1ccc([C@@H](O)[C@H](Nc2ccc(C)cc2)c2nc3ccccc3n2C)cc1 1185715 KZLKEGZICQIGRC-XZOQPEGZSA-N 387.483 4.777 0 50 GJAA CCc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 2874686 AQZAMHMYPMCDJZ-INIZCTEOSA-N 394.418 4.709 0 50 GJAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cc3ccccc3o2)CC1 11817824 LDERBDBWEOYRNR-UHFFFAOYSA-N 388.467 4.657 0 50 GJAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(CCO)Cc1cccs1 12073628 YAZWKJURUVVLSG-UHFFFAOYSA-N 396.434 4.725 0 50 GJAA COc1ccc(-n2ncc([C@H](C)NCc3ccccc3OC(F)F)c2C)cc1 12432399 ZSQWRJURFNMCJU-AWEZNQCLSA-N 387.430 4.642 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)Cc1cccc(C)c1)O2 14995055 RYWFZOCCKBRPBV-QFIPXVFZSA-N 399.490 4.527 0 50 GJAA Clc1ccccc1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817721 IGDDBKPDPGICGB-UHFFFAOYSA-N 384.982 4.592 0 50 GJAA O=C1O[C@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 246498322 AVMRGZGIBIDZSR-KNQAVFIVSA-N 375.472 4.720 0 50 GJAA Cc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1C 263617089 MAIZWOJLFGHGEW-IBGZPJMESA-N 390.418 4.628 0 50 GJAA O=C(CC1OCCCO1)NCc1oc2ccc(Cl)cc2c1-c1ccccc1 839910650 UJVPBTRUHQFNRN-UHFFFAOYSA-N 385.847 4.523 0 50 GJAA COc1cc(C(=O)O)c(Br)cc1OCc1c(F)cccc1Cl 1857526143 PRJRZMOQWIJCOU-UHFFFAOYSA-N 389.604 4.527 0 50 GJAA C[C@@H](C(=O)Nc1cc(Br)cnc1O)[C@@H](C)c1ccccc1Cl 1875310067 BSHDOCHLSKCFCM-NXEZZACHSA-N 383.673 4.581 0 50 GJAA Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc([C@@H](C)Sc2nccn2C)c1 2325803014 JFOHESCXSOAXHK-CQSZACIVSA-N 383.521 4.681 0 50 GJAA COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(C)C 871746 PDIGOLUMGPXXES-UHFFFAOYSA-N 384.501 4.574 0 50 GJAA O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1 2838620 AWQCQUFUIPXAAC-UHFFFAOYSA-N 398.821 4.749 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1Cl 4175723 XYBGJMUFSNRMIX-KRWDZBQOSA-N 394.327 4.657 0 50 GJAA CC[C@@H](C)NC1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 11784153 MIKOKCDDOWQULK-LJQANCHMSA-N 379.548 4.913 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 43083283 GOHNMMIOXQNTHS-QGZVFWFLSA-N 383.442 4.743 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CO[C@H]2CCCc3c[nH]nc32)on1 190143418 XBUPAFMZOFBSOH-FQEVSTJZSA-N 375.428 4.821 0 50 GJAA CC(C)[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2n1C 252537671 MAILTBNZYBVMKV-HSZRJFAPSA-N 388.515 4.511 0 50 GJAA COc1ccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=N)n2C)cc1 334157626 VIPZKAXLKLJDMP-UHFFFAOYSA-N 397.478 4.532 0 50 GJAA C[C@@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nccs1 754736959 VVMSVGBMAHNYMC-INIZCTEOSA-N 388.496 4.529 0 50 GJAA COc1cc(CNCc2ccc3ccoc3c2)cc(Br)c1OC 2325725423 ARRTZZUKHCDGDF-UHFFFAOYSA-N 376.250 4.502 0 50 GJAA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1225932 KHPICQHPOKRSSW-ZOVQAKDCSA-N 393.486 4.874 0 50 GJAA biogenic CC(C)C(=O)N[C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl 1231025 DTJNDQYIFJHIGL-NSHDSACASA-N 377.621 4.586 0 50 GJAA C[C@H](Sc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)C(=O)Nc1ccccc1 2311539 SOEHJUIKOFJQBH-NEPJUHHUSA-N 398.557 4.518 0 50 GJAA O=C(Nc1nnc(SCc2ccccc2F)s1)Nc1ccccc1F 2337601 OXFONKNMWMESCB-UHFFFAOYSA-N 378.429 4.753 0 50 GJAA O=C(Nc1cccnc1Cl)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769570 WZGRLDVAIVXCKU-UHFFFAOYSA-N 399.788 4.635 0 50 GJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2818543 ZOHWCTNMOJEAHI-UHFFFAOYSA-N 390.867 4.738 0 50 GJAA COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(C(C)C)C2 12246903 AQANTGKFSDOUQJ-UHFFFAOYSA-N 392.499 4.830 0 50 GJAA CCCCc1ncc(-c2nc3ccc(C)cc3c(C(=O)N(C)CC)c2C)cn1 63847732 FCSVHGASVVCXRX-UHFFFAOYSA-N 376.504 4.743 0 50 GJAA CN(Cc1cccc2cnccc12)C(=O)COc1ccc(Cl)cc1Cl 91441237 GFWKBMCLUPUSKF-UHFFFAOYSA-N 375.255 4.579 0 50 GJAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc3ncsc3c2)C1 92081126 GRVDVLMTUSYRRV-JOCHJYFZSA-N 394.496 4.510 0 50 GJAA CCSc1nc2ccc(NC(=O)N[C@@H](c3cc(C)ccn3)C3CC3)cc2o1 97568878 ZCWHKTLYQRLAIS-GOSISDBHSA-N 382.489 4.916 0 50 GJAA COc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)c1 225496275 ARDAVOWZNFBNQA-IBGZPJMESA-N 392.480 4.757 0 50 GJAA Cc1nc(Oc2ccc(-c3ccc(Br)cc3)cc2)c2cnn(C)c2n1 917387347 QQENDXBYYHLLEP-UHFFFAOYSA-N 395.260 4.894 0 50 GJAA Cc1cc(C)c2c(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)coc2c1 952983303 TXKDCCWCTZWVDJ-UHFFFAOYSA-N 390.483 4.775 0 50 GJAA CCN(C[C@@H]1COc2ccccc2O1)c1nc(-c2ccccc2)nc2ccccc12 1875332910 QHJVPTXJPWAGNR-LJQANCHMSA-N 397.478 4.963 0 50 GJAA N=C(NOCc1cnc(-c2ccccc2)o1)c1ccc(Oc2ccccc2)nc1 1875336148 TVTVZKFYPSMIKJ-UHFFFAOYSA-N 386.411 4.576 0 50 GJAA COc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 647236 ITENALVSAQMYHM-UHFFFAOYSA-N 388.492 4.729 0 50 GJAA O=C(Nc1cccc(Cl)c1)Nc1nnc(COc2ccc(F)cc2)s1 1213704 FLZSXYAQOBKSCK-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA O=C(NCc1cccc(Cl)c1)c1ccccc1C(=O)c1ccc2c(c1)CCC2 1399537 LAEITECNPUBWDE-UHFFFAOYSA-N 389.882 4.990 0 50 GJAA CCCCOC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 1801400 JHYCLCLUVWAULH-UHFFFAOYSA-N 376.250 4.658 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cc(Cl)cn4)c3)no2)cc1 2797590 FTAVYIWLGKBWBL-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(C)c3)C2)cc1OC 4813494 CFNPVSBYOGZSSJ-IBGZPJMESA-N 390.439 4.597 0 50 GJAA Cc1cccc(OC2CCN(Cc3nc(Cc4ccccc4Cl)no3)CC2)c1 11814229 VXMXAHIFPMTQQV-UHFFFAOYSA-N 397.906 4.666 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H](c2nc3ccccc3o2)C1 11814820 HCKGENYKXUCTOJ-INIZCTEOSA-N 387.439 4.866 0 50 GJAA CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)c3ccccc3Cl)no2)c1 12707968 UCHHPPWGVULWJZ-CYBMUJFWSA-N 398.846 4.601 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@H]1CCn1ccnc1 20254698 DIZWOAAJLSKFCB-KRWDZBQOSA-N 386.446 4.570 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1Cl 35511351 DJOPJYUDBXUNND-HNNXBMFYSA-N 393.871 4.838 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 72117869 VMWNHSVLNOKBBC-UHFFFAOYSA-N 380.427 4.744 0 50 GJAA Cc1ccccc1CN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C1CCCC1 91563366 XNMHXHGHEVXUAD-UHFFFAOYSA-N 375.472 4.676 0 50 GJAA O=C(O)c1cccc(Nc2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c1 170621812 CIQJAVMXRZRJKO-UHFFFAOYSA-N 389.459 4.652 0 50 GJAA Cc1cc2ccccc2nc1NNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 181300157 BNZPEAXTPIAQAR-UHFFFAOYSA-N 392.846 4.537 0 50 GJAA Cc1cc(NC(=O)Nc2cnn(C3CCCC3)c2C)ccc1OC1CCOCC1 193588240 RUODNJKYDIPQOC-UHFFFAOYSA-N 398.507 4.817 0 50 GJAA C[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@@H]2CCCC2=O)cc1 252549677 RRLBDVIERVZFEX-PXNSSMCTSA-N 388.511 4.542 0 50 GJAA COCC1(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)cc2)CCC1 426514614 HGAHJZAXJRNFGC-UHFFFAOYSA-N 375.415 4.502 0 50 GJAA Cc1cccc(OC2CN(C(=O)c3ccc(CSc4ccccc4)o3)C2)c1 1506397075 MOFVMFXAPHWRFW-UHFFFAOYSA-N 379.481 4.784 0 50 GJAA C[C@H]1CN(C)c2ccccc2N(Cc2csc(-c3cccc(C(=O)O)c3)n2)C1 1875343681 QSKZGIYJLPTMSG-HNNXBMFYSA-N 393.512 4.601 0 50 GJAA CC(C)n1ncc2c(C(=O)O[C@H]3CCC[C@@H]3c3cccnc3)cc(C3CC3)nc21 2325743017 RFRNRGQWLRMXPL-UTKZUKDTSA-N 390.487 4.778 0 50 GJAA Cc1ccc2ncccc2c1C(=O)Nc1nnc(SCc2ccccc2)s1 2325877457 RLJAJUJPILEGTD-UHFFFAOYSA-N 392.509 4.939 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc3ccccc23)NC(=S)N1 729168 CLFYLSYEJKBDNZ-OAQYLSRUSA-N 387.508 4.580 0 50 GJAA Cc1nc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)sc1C 959332 DBPMQIZVJSPFKC-UHFFFAOYSA-N 397.338 4.837 0 50 GJAA CCSc1nnc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)s1 1053368 MBCPCSJASFAVRJ-UHFFFAOYSA-N 398.872 4.658 0 50 GJAA Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1150185 KLELWGTXJKHNGR-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 9431110 UGMDXJYUYSWJRR-UHFFFAOYSA-N 398.890 4.633 0 50 GJAA CCOC(=O)C1(CC2CC2)CCN(C(=O)c2oc3cc(C)ccc3c2C)CC1 12592217 RMCYARMALSWYLM-UHFFFAOYSA-N 383.488 4.635 0 50 GJAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@@H](CNC(=O)c1c(C)noc1C)C2 19228835 XDOCMASPJOOESN-GOSISDBHSA-N 396.874 4.654 0 50 GJAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2ccccc21 114537882 NUOJTTAZVSDNDX-QFIPXVFZSA-N 399.446 4.620 0 50 GJAA Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1NC(=O)N1C[C@H]2CCC[C@H]2C1 150820805 CQQHWAUJOALCHP-QGFMHUBQSA-N 396.535 4.523 0 50 GJAA O=C(c1ccc2ncccc2c1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 201330449 DLJNSLWLHNUOJB-QQKQFIJSSA-N 386.495 4.527 0 50 GJAA C[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@H]2CCCC2=O)cc1 252549675 RRLBDVIERVZFEX-FXAWDEMLSA-N 388.511 4.542 0 50 GJAA O=c1c(-c2c(-c3ccc(F)c(F)c3)nc3ccccn23)c(O)oc2ccccc12 888090463 ATGKRQHVSWWDRU-UHFFFAOYSA-N 390.345 4.759 0 50 GJAA CC(C)c1nc(C2(NC(=O)Nc3ccc(N4CC[C@@H](C)C4)cc3)CCCC2)no1 888093360 VCHSJYAEAOAFHJ-MRXNPFEDSA-N 397.523 4.630 0 50 GJAA COC[C@@H](c1ccccn1)N(C)Cc1cc(CN2CCC(C)CC2)c(C)cc1C 952969071 PPSGXDAGMKARSS-VWLOTQADSA-N 395.591 4.750 0 50 GJAA COc1ccc(-c2nc(Cc3cccc(C)c3Br)n(C3CC3)n2)cc1 1875348257 KRCWSHXKWQLEPD-UHFFFAOYSA-N 398.304 4.950 0 50 GJAA Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 729842 ORNOAOYHVNRDKI-MRXNPFEDSA-N 394.418 4.764 0 50 GJAA O=C(O)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 1143659 KORJFUYIUKVFPN-UHFFFAOYSA-N 393.782 4.631 0 50 GJAA COc1ccc2oc(=O)c(-c3cn4c(n3)sc3cc(Cl)ccc34)cc2c1 1183918 YZTBWTIOXWZMAU-UHFFFAOYSA-N 382.828 4.984 0 50 GJAA Cc1ccc(OCCCC(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 1783134 IUNCRZBMDUVOHC-UHFFFAOYSA-N 396.434 4.686 0 50 GJAA CC(C)(C)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2384758 IXAYZHCPEYTWHW-IBGZPJMESA-N 399.512 4.510 0 50 GJAA Cc1cccc(NC(=O)COc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 4840910 QZDHEWGTASJOAW-GOSISDBHSA-N 388.467 4.504 0 50 GJAA Cc1ccc(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1 5107077 HZIOKBCIWRBKAZ-UHFFFAOYSA-N 376.330 4.690 0 50 GJAA COc1cc(CNCc2ccccn2)ccc1OCc1ccc(F)cc1Cl 7275013 RHCCENFJSIOVIH-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA Cc1ccccc1CCN1CCC(CN(Cc2[nH]cnc2C)C2CCCC2)CC1 12317620 QMSLIRPUHRLZJF-UHFFFAOYSA-N 394.607 4.726 0 50 GJAA Cc1c(Cl)cccc1NC(=O)CSc1nc(O)cc(-c2ccccc2)n1 18045456 NTHUQVFAZKYISG-UHFFFAOYSA-N 385.876 4.542 0 50 GJAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 39942671 XNTYYYINMGRBQW-BLQPFTDBSA-N 388.548 4.894 0 50 GJAA CCOc1cccc2cc([C@H](C)NC(=O)NC3CCN(C4CCCC4)CC3)oc12 175558084 ANEBHHWWNLBSLR-INIZCTEOSA-N 399.535 4.599 0 50 GJAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(Cl)ccc3F)C2)[C@@H]2CCCCN12 2356160575 YRUURKFPEFYPDU-VZJWBNGJSA-N 378.919 4.594 0 50 GJAA FC(F)(F)Oc1ccc(NC(=S)NNc2ncc(Cl)cc2Cl)cc1 720781 WQDOQJZAWADKBA-UHFFFAOYSA-N 397.209 4.601 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c12 2859537 HZLHFWLWTCASIA-UHFFFAOYSA-N 396.299 4.892 0 50 GJAA COc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc(Cl)c1O 11818133 HCZQCNAUSMEFRW-LBPRGKRZSA-N 389.858 4.538 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 11879740 JGBNNUIXGYXZRD-NRFANRHFSA-N 383.532 4.538 0 50 GJAA Cc1ccccc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCCN13 12072677 WPQXWJGOIBVHAZ-HARLFGEKSA-N 380.919 4.586 0 50 GJAA O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)c1ccc(Cl)cc1 15010658 PKOWVPPACORIHY-DFBITEFZSA-N 383.856 4.815 0 50 GJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71763822 DAKPZYLYCDMPSO-QGZVFWFLSA-N 395.453 4.840 0 50 GJAA COc1cccc(-c2nc(C(=O)N3CC[C@@H]3c3ccccc3F)cs2)c1OC 170652119 AXHUADZWJWYFTL-QGZVFWFLSA-N 398.459 4.554 0 50 GJAA CCc1oc(C(=O)N(C)Cc2ccc3ccccc3n2)cc1CN(CC)CC 220728583 FZCRFIMGKYAWDH-UHFFFAOYSA-N 379.504 4.504 0 50 GJAA C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccccc1SC(C)(C)C 252478677 ASBFMKVCWFZWNW-KRWDZBQOSA-N 385.577 4.660 0 50 GJAA COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc1 252506066 VXPAXUYPHDNKBM-QGZVFWFLSA-N 385.851 4.526 0 50 GJAA Cc1csc(-c2nc([C@@H]3CCCC3(C)C)n(-c3nc4ccccc4[nH]3)n2)n1 1875349236 RHSIMJDXSVPUOC-ZDUSSCGKSA-N 378.505 4.869 0 50 GJAA C[C@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccccc1 998017 AGMHPWQEGVBHOU-NSHDSACASA-N 393.336 4.906 0 50 GJAA Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(C(C)C)cc3)S2)cc1C 1107338 TYIVQHFVLBCSQK-LJQANCHMSA-N 395.528 4.866 0 50 GJAA Cc1c(OCc2ccccc2Br)ccc2c3c(c(=O)oc12)CCC3 1154310 SQEHQINCCZXTCZ-UHFFFAOYSA-N 385.257 4.932 0 50 GJAA CCCN(CCC)C(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCC2 1188230 SYVJGTDAHXXPAX-UHFFFAOYSA-N 399.560 4.927 0 50 GJAA O=C(O)c1ccccc1C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1229031 SQVOVFYSVKMBCW-UHFFFAOYSA-N 394.408 4.697 0 50 GJAA CC1(C)C(=O)O[C@H](c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O 2841469 LJAQTGKCFCYCJV-CQSZACIVSA-N 376.321 4.526 0 50 GJAA biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(C)(C)C)cc1Br 2849559 NRRQFFPAPSJUSF-ZIAGYGMSSA-N 382.342 4.915 0 50 GJAA CC(C)C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1 4993534 OKQPMSNTGILQMR-ZNKOEICNSA-N 388.596 4.573 0 50 GJAA COc1ccc([S@@](=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 5210845 YCDOGXDQOSZSQQ-MUUNZHRXSA-N 390.460 4.980 0 50 GJAA Cc1ccc(Sc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 13943298 WYWUQCWZIJPQIL-PDGQHHTCSA-N 390.489 4.510 0 50 GJAA Cc1cccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cccc(C)c3C)n2)c1C 20617547 TXIITTGVUBWMQQ-SFHVURJKSA-N 390.487 4.569 0 50 GJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27908991 HSGPJUNMNIHSPU-XMMPIXPASA-N 395.462 4.511 0 50 GJAA Cc1ncc(-c2cc(C(=O)N3CCCCCCC3)c3ccc(F)cc3n2)cn1 63872225 DNPBYGOMCKEGMW-UHFFFAOYSA-N 378.451 4.546 0 50 GJAA Cc1ccc(-c2cc(C(=O)NCC[C@H](c3ccc(F)cc3)c3ccco3)[nH]n2)o1 91643350 LWWPRNYOGHKZMU-QGZVFWFLSA-N 393.418 4.662 0 50 GJAA O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@@H](Nc2ccccc2)C1 170624456 LXVLLVFFGKZGKI-GOSISDBHSA-N 380.879 4.849 0 50 GJAA Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccccc4Cl)no3)c2CO1 263615395 CEVXAHQLWWXAOS-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA C[C@H](Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)C(=O)O 431991953 DZIGHLMQPWEMIH-QGZVFWFLSA-N 389.451 4.781 0 50 GJAA O=C1CC[C@H](C(=O)Nc2ccc(Oc3nccs3)c(Cl)c2)n2cccc21 886062976 JCMHGCJFLNNFFU-CQSZACIVSA-N 387.848 4.547 0 50 GJAA CCOCc1cc(CN2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)ccc1OC 1506422486 PREWRPYHCLMSGJ-IBGZPJMESA-N 393.531 4.796 0 50 GJAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC[C@@H](c2ccccn2)C1 1875332143 GXLPEUXDFDWIAP-HXUWFJFHSA-N 382.467 4.645 0 50 GJAA CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1C 992861 JVORAXFAMIJUNQ-UHFFFAOYSA-N 387.435 4.660 0 50 GJAA Cc1cccc(OCCCOc2ccc(C(=O)NCCc3ccccc3)cc2)c1 1791550 CEVRSZRKRVBDTR-UHFFFAOYSA-N 389.495 4.815 0 50 GJAA CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)OCc3ccccc3)c12 2811822 AOHJPBDNRGJCHG-UHFFFAOYSA-N 380.440 4.566 0 50 GJAA CCc1ccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)o1 12302684 NTNZUVMCMLMUAG-UHFFFAOYSA-N 381.564 4.894 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc1 12582781 TUDYIQJJMHDTNA-OAQYLSRUSA-N 394.515 4.728 0 50 GJAA c1ccc(OCc2nc3ccccc3n2C2CCN([C@@H]3CCSC3)CC2)cc1 15067280 IIRXTVKOIHECME-LJQANCHMSA-N 393.556 4.758 0 50 GJAA O=C(c1cc(-c2ccc(Cl)cc2)[nH]c1NC1CCCCC1)N1CCOCC1 16626026 GQTGXNSTLUFGDF-UHFFFAOYSA-N 387.911 4.552 0 50 GJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1O 42915202 JAXFDTUPZMGGSH-KRWDZBQOSA-N 397.906 4.824 0 50 GJAA C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 246480630 FXRZBPNDXYPLJU-JXXFODFXSA-N 395.528 4.683 0 50 GJAA Oc1cc([C@@H]2CCCN(Cc3cccc4c3sc3ccccc34)C2)ncn1 828934924 ZXLYDOSJMRWJQY-OAHLLOKOSA-N 375.497 4.930 0 50 GJAA Cc1nc(C(C)C)sc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952984675 QLEQGXPFWZHQPM-UHFFFAOYSA-N 380.517 4.976 0 50 GJAA C[C@@H]1CSc2ccccc2[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 1875256631 KIHNLUBBPMQPEL-OPAMFIHVSA-N 389.524 4.907 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(COCC2CC2)n1 1875331856 WWWWFLRTQRNKOE-SECBINFHSA-N 387.661 4.552 0 50 GJAA CO[C@H]1C[C@@H](Cc2nc([C@H](Oc3ccc(Br)cc3)C(C)C)no2)C1 1875331876 YDFUWYQMMRFQJU-ISTRZQFTSA-N 395.297 4.576 0 50 GJAA COc1cnc(F)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 1875343101 QBYZRSGDURJXAT-UHFFFAOYSA-N 379.416 4.758 0 50 GJAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)N[C@H]1CC[C@@H](C(=O)O)CC1 2100483817 NRAYMMZBBTVLCN-LSTHTHJFSA-N 385.891 4.622 0 50 GJAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 2325708719 YGBBSJCWGGNMMG-WMZOPIPTSA-N 388.508 4.708 0 50 GJAA O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1ccco1 631503 DMGCEEBVNYJJJK-SFHVURJKSA-N 389.238 4.637 0 50 GJAA Cc1ccn2c(NC(=O)c3cc4ccccc4oc3=O)c(-c3ccccc3)nc2c1 709715 MCSRTMVNUKUNOT-UHFFFAOYSA-N 395.418 4.668 0 50 GJAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 991999 HJRUTABRGLXOPY-KRWDZBQOSA-N 387.435 4.676 0 50 GJAA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccc(F)c1 1049971 XLBSLESOLLVVKV-UHFFFAOYSA-N 378.472 4.543 0 50 GJAA O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 1202718 FUPOTAJRZZJNQW-HMMYKYKNSA-N 376.843 4.750 0 50 GJAA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccccc2Cl)NC(=O)N1 1218554 ADVRNAZZJZCJNA-QGZVFWFLSA-N 390.270 4.568 0 50 GJAA CC1(C)C[C@H](NC(=O)c2cccs2)C[C@@](C)(CNC(=O)c2cccs2)C1 2745655 POELBCUWPASYPJ-VBKZILBWSA-N 390.574 4.554 0 50 GJAA CCOc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)cc1 2995260 IZNIQWWWYSHNBT-OAQYLSRUSA-N 394.496 4.506 0 50 GJAA COc1cccc(CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1OC 4841699 NNHJVVYKOOIOBJ-UHFFFAOYSA-N 376.456 4.877 0 50 GJAA CC(=O)c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1 4980495 VZXCCYLURLPTQV-UHFFFAOYSA-N 384.523 4.843 0 50 GJAA Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1 5577171 LHEOFGBKERIXQQ-KBPBESRZSA-N 378.881 4.601 0 50 GJAA COC(=O)c1cccc(OCCOc2ccc(OCc3ccccc3)cc2)c1 8730054 DFQLFGNHCQEXKF-UHFFFAOYSA-N 378.424 4.510 0 50 GJAA CCn1cc(CNCc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1 11771439 ZUYMJOIZOUJQTC-UHFFFAOYSA-N 377.536 4.641 0 50 GJAA Cc1ccccc1CN1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 11820657 XPMFLEGTJMYMKI-JOCHJYFZSA-N 387.483 4.785 0 50 GJAA Cc1ccc(SC2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)cc1 12588763 LSRPBDPHMZXDTD-UHFFFAOYSA-N 397.519 4.865 0 50 GJAA O=C(Nc1nccs1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 13641509 XWSKZZKZFBXJOB-UHFFFAOYSA-N 388.408 4.859 0 50 GJAA C[C@@H](C(=O)N(C)CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccccc1 15064538 BJCDKSKMHMOXJO-LJQANCHMSA-N 398.978 4.857 0 50 GJAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 45796256 RWGLUBLPUIVSPT-UWJYYQICSA-N 392.842 4.770 0 50 GJAA CC(C)(O)CCc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc1 72430431 CBUYGLDXYFUJAD-UHFFFAOYSA-N 376.500 4.676 0 50 GJAA Cc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c(C)c1 101070093 XLFBFVCNJNLAPH-SFHVURJKSA-N 381.277 4.713 0 50 GJAA Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)c1 107044615 RNEOHPXZDNSDSS-HAZOXUTRSA-N 399.534 4.978 0 50 GJAA CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 116408332 PEOMNTQWRGSYTO-QGZVFWFLSA-N 381.524 4.571 0 50 GJAA O=C(Nc1ncc(C2CCNCC2)s1)[C@@H]1C[C@H]1c1cccc2ccccc12 262326289 RBMFSSDMNPSYIT-RBUKOAKNSA-N 377.513 4.506 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@H](C)[C@@H](C)N 262533714 OSODOPHJCJLARQ-HUUCEWRRSA-N 382.483 4.654 0 50 GJAA O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)c(Cl)ccc2c1Cl 263618820 VRVIHPNUXYQBLB-UHFFFAOYSA-N 392.185 4.792 0 50 GJAA CC(C)N(C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)C1CC1 1875255222 CHSZQZPPICOVIC-UHFFFAOYSA-N 387.455 4.892 0 50 GJAA COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(C)C)cc2O)cc1Cl 2325853677 YQTYAXJDOGSPMF-LBPRGKRZSA-N 376.836 4.606 0 50 GJAA Cc1ccc2nc(N3CCN(c4ccccc4)CC3)nc(-c3ccccc3)c2c1 843952 SUFYCOVSWOSYGT-UHFFFAOYSA-N 380.495 4.932 0 50 GJAA CCOc1cc2c3c(c1)[C@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@H]2C 1051265 NFWGQDGMLRQLPK-QKFKETGDSA-N 378.472 4.513 0 50 GJAA O=C(COc1ccccc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 1104847 SJMKHGAGIBMNLQ-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 1128517 LAZVHAOWTQPBAK-IAGOWNOFSA-N 375.259 4.740 0 50 GJAA O=C(Cc1ccccc1)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 1446744 IDAWYKYWKUWUKJ-HNNXBMFYSA-N 392.113 4.807 0 50 GJAA CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1O 4755356 IEBPBZQYSJTIFA-SOFGYWHQSA-N 386.245 4.978 0 50 GJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(CC(C)C)on1 4881279 VDXKQFOFCYNTMS-UHFFFAOYSA-N 386.883 4.640 0 50 GJAA CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5555927 HEYMFPHIOZXSAN-UHFFFAOYSA-N 375.350 4.516 0 50 GJAA biogenic O=C(CCC1CCCCC1)N1CCCN(C(=O)CCC2CCCCC2)CC1 5897180 QUJVDEWPEOWCDR-UHFFFAOYSA-N 376.585 4.768 0 50 GJAA C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc2c(c1)OCO2 6763521 FJOYCHBRBSKQSY-VIFPVBQESA-N 377.824 4.914 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 12465124 NEHRPFVCDUHEOC-OAQYLSRUSA-N 391.433 4.553 0 50 GJAA Cc1nn(C)cc1CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 13595097 YMBIWIDPDSRBRJ-HXUWFJFHSA-N 391.490 4.630 0 50 GJAA Cc1ccc(NC(=O)Cn2cnc(-c3ccccc3)c2-c2cccnc2)c(F)c1 65397262 MRWWYRFKJAAKSP-UHFFFAOYSA-N 386.430 4.698 0 50 GJAA c1ccc(-c2ncn([C@H]3CCCN(Cc4cccnc4)C3)c2-c2cccnc2)cc1 65436264 DISZDWNYTBSKGY-QHCPKHFHSA-N 395.510 4.844 0 50 GJAA Cc1ccc(CN2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)cc1 67756050 AFOJVMKBHLTRSM-UHFFFAOYSA-N 380.875 4.811 0 50 GJAA O=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71439900 JSSJZOTXHCZCSC-NRFANRHFSA-N 386.495 4.651 0 50 GJAA O=C(c1ccc2cccc(F)c2n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 91535656 ILFYLJJFFHDRJA-OAHLLOKOSA-N 375.403 4.535 0 50 GJAA CC1=CC(C)(C)Oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc21 95918266 ATNBNIINWBDYBG-UHFFFAOYSA-N 392.543 4.852 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@H](c2cccc(O)c2)C1 135402950 IXEQOPZPYCNHLG-DEOSSOPVSA-N 387.479 4.514 0 50 GJAA O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC2(CCCCC2)C1 170640478 SFIJUKLCLOYZQY-UHFFFAOYSA-N 379.382 4.552 0 50 GJAA CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)[C@@H](C)Cc1ccsc1 176311527 ZEHBFRXRFJURDV-HNNXBMFYSA-N 383.521 4.682 0 50 GJAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1ccccc1C(F)(F)F)C1CC1 188571701 XZYJLCXLKSQGDS-UHFFFAOYSA-N 389.421 4.505 0 50 GJAA FC(F)Oc1cc(Br)c(OC(F)(F)F)cc1Br 263624976 VRVDQELNNKCMRQ-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA OC1(C(F)F)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 426205485 LZJWFDCTHKZEOK-UHFFFAOYSA-N 395.440 4.969 0 50 GJAA CCOc1cc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC(=O)CC 840940116 UTDNZQDZCZDCNC-IBGZPJMESA-N 393.487 4.614 0 50 GJAA CC(C)C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 1464248554 WJBBQSRHZYSZGK-LIRRHRJNSA-N 384.907 4.842 0 50 GJAA CC[C@@H](OC(=O)c1cnc2scc(C)n2c1=O)c1ccc(Cl)cc1Cl 2325824924 VRDXCQLYUFRZBN-CQSZACIVSA-N 397.283 4.679 0 50 GJAA O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCCC1 670939 UFVWWHOBLXZICM-UHFFFAOYSA-N 381.273 4.900 0 50 GJAA CCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 1010612 YAYCWGSVXNDGCE-UHFFFAOYSA-N 386.407 4.628 0 50 GJAA COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)c1 1110552 PRPDSNQBCIWAMF-UHFFFAOYSA-N 387.414 4.939 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1ccc2c3c(cccc13)CC2 1143606 JDKNWZMBHPRCDK-UHFFFAOYSA-N 382.257 4.962 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1OC 1200725 BVCHLDSGJZBVCD-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA CC1(C)CCC(C)(C)c2cc([C@@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21 3871759 AANFHDFOMFRLLR-LJQANCHMSA-N 399.462 4.545 0 50 GJAA in-vivo CC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1 4828319 BSCVHDBTOCSQHL-IBGZPJMESA-N 384.435 4.987 0 50 GJAA Cc1ccccc1OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 4832473 WUQLIJJPZVMJTA-SIYKVTCMSA-N 386.447 4.799 0 50 GJAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(CCC(=O)N2CCCC2)CC1 12465418 NFJUWZMGICIXKX-QGZVFWFLSA-N 396.497 4.751 0 50 GJAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(C/C=C/c2ccccc2)CC1 12587302 DEJXOZFYTOVRGZ-XYOKQWHBSA-N 393.527 4.596 0 50 GJAA Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)s1 20608004 ZXGQYIPEJDFGCC-UHFFFAOYSA-N 383.420 4.845 0 50 GJAA CC(C)C[C@H](C)N(C(=O)c1cccc2c1oc(=O)n2C)c1ccc2[nH]ccc2c1 130772342 NJNIXHGFHQIKOM-HNNXBMFYSA-N 391.471 4.694 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)c1 239433522 XVJHDDGBRLQPNR-CXSMSNRLSA-N 395.502 5.462 0 50 GJAA c1ccc(OC[C@@]23[C@@H]4[C@H]5[C@@H]6[C@H]2[C@@H]2CCC[C@@H]2[C@H]6[C@@]26CO[C@@]32[C@@H]2CC[C@@H]([C@@H]42)[C@@H]56)cc1 257357029 LQKBOOGLFRWCLL-IJMWDMBPSA-N 386.535 4.645 0 50 GJAA CCCN(Cc1oc(C(C)C)nc1C)C1CCN(C(=O)c2ccccc2)CC1 428373636 LVAPQAVQQOBOFX-UHFFFAOYSA-N 383.536 4.623 0 50 GJAA COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)c1cccn1C1CC1 952979354 MIRYEUOCCXWCJA-UHFFFAOYSA-N 392.474 4.856 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 1875260408 XOEPOWWKUAOOSU-SAFWEWCLSA-N 388.442 4.774 0 50 GJAA COCCOC(=O)c1c(C)oc2ccc(OCc3c(F)cccc3Cl)cc12 1797685 BHYHMGFJZOCZNI-UHFFFAOYSA-N 392.810 4.916 0 50 GJAA biogenic CCCc1sc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1ccccc1 2997958 SDLUFCXKHIFTQF-UHFFFAOYSA-N 391.540 4.725 0 50 GJAA COc1ccc([C@H](CC(=O)O)NC(=O)c2sc3ccccc3c2Cl)cc1 4580566 DTHUYRKJCWKLQM-AWEZNQCLSA-N 389.860 4.509 0 50 GJAA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4735568 VKWPPMQYRPZJIG-HXUWFJFHSA-N 379.435 4.808 0 50 GJAA Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1 4880562 WFMKFYDJHOGQIO-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA Cc1cc(O)cc2oc(C(F)(F)F)c(-c3cnn(-c4ccccc4)c3)c(=O)c12 5488499 AICWQXZGHCIEFC-UHFFFAOYSA-N 386.329 4.679 0 50 GJAA Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(Cl)c1C 8596017 NHCAKLHVQFWRJG-UHFFFAOYSA-N 384.867 4.736 0 50 GJAA Cc1ccc(Cn2c(C)c(CNCc3ccccc3F)c(C(=O)O)c2C)cc1 8611016 TUNOLAGINCPBJH-UHFFFAOYSA-N 380.463 4.589 0 50 GJAA O=C(CCCc1ccc(Cl)cc1)N1CCC[C@](CO)(CCc2ccccc2)C1 11873176 UENRYBYJAXXPBV-DEOSSOPVSA-N 399.962 4.897 0 50 GJAA Cc1ccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)cc1C 20617008 FKMXKVQPPZYGNU-GOSISDBHSA-N 390.487 4.569 0 50 GJAA O=C(NCCCc1ccccn1)c1ccc([C@@H]2CCCN2C2CCCC2)s1 23368744 LAACPXMTXQHRMM-IBGZPJMESA-N 383.561 4.585 0 50 GJAA CCOC(=O)c1cn([C@H](C)Cc2ccsc2)cc(Oc2ccccc2)c1=O 55053020 VOKVFWRYCBNKIO-OAHLLOKOSA-N 383.469 4.683 0 50 GJAA CNC(=O)c1ccc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)o1 72159083 UZUNMWYFIUBZGC-MRXNPFEDSA-N 394.437 4.503 0 50 GJAA CN1CC[C@H](CNC(=O)Nc2ccccc2CC(F)(F)F)c2ccccc21 173994451 KXKCSANOXVFLOS-OAHLLOKOSA-N 377.410 4.537 0 50 GJAA Cc1cc(Br)ccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O 239302488 FIRSCXKURKFPSN-KBAYOESNSA-N 398.300 4.831 0 50 GJAA Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)NC1[C@@H]2CCCC[C@@H]12 239637043 BILSWOJHKFDVQL-LYYGHALDSA-N 396.535 4.615 0 50 GJAA NC1CCN(C(=O)Nc2ccccc2SCc2cccc(Cl)c2)CC1 299797605 OHEPZOIZDVBDCK-UHFFFAOYSA-N 375.925 4.587 0 50 GJAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ncsc1-c1ccccc1 447652162 KUZRBXQACKORQL-UHFFFAOYSA-N 396.422 4.741 0 50 GJAA CCOc1cc(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc(Cl)c1O 1472042810 XOQNXVTUTXCZCG-JTQLQIEISA-N 396.270 4.524 0 50 GJAA CC(C)Cn1nc(-c2cccc(F)c2)nc1[C@H]1CCC(=O)N(c2ccccc2)C1 1875348638 XNJGFVMIEBGPLJ-SFHVURJKSA-N 392.478 4.651 0 50 GJAA O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc2ccccc2c1 628725 ULYXDHFLCFFKLF-UHFFFAOYSA-N 390.493 4.828 0 50 GJAA COc1ccc(OC)c(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c1 945316 HUKLRAAFODKKJB-UHFFFAOYSA-N 377.440 4.697 0 50 GJAA Cc1cccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)c1C 997881 PMRBPEUNOCUECL-UHFFFAOYSA-N 398.506 4.890 0 50 GJAA COc1ccc(/C=C(/C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1144008 WFUSZLZWHRSWOT-RCCKNPSSSA-N 389.451 4.892 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 1172921 HFRCJGNXQLZQOI-JLHYYAGUSA-N 385.423 4.859 0 50 GJAA O=C(CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1)NC1CCCCC1 2809491 XSLSGNKJVLROIY-UHFFFAOYSA-N 396.343 4.991 0 50 GJAA O=C(OCc1ccccc1Cl)c1ccc(-n2cc(Br)cn2)cc1 4789132 RBWROPPVAWACBU-UHFFFAOYSA-N 391.652 4.645 0 50 GJAA COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12573125 WWODMUHSIJBPDI-WIYYLYMNSA-N 390.464 4.777 0 50 GJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 15723453 YQPBKARHTSBALL-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(C(=O)OC(C)C)C2)cc1 95510374 FEVSXGFQIFVYMR-SFHVURJKSA-N 396.487 4.558 0 50 GJAA Cc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(C(C)C)c2cc1C 97758824 FPPVJOTXZIRXTF-UHFFFAOYSA-N 382.552 4.509 0 50 GJAA in-vitro O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cc2sccc2[nH]1 188738013 BWQHRNBKDYVVJC-LBPRGKRZSA-N 376.865 4.693 0 50 GJAA Cn1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2cc(F)ccc21 225486084 WOZVBHGXTWODCW-UHFFFAOYSA-N 393.487 4.947 0 50 GJAA CC(C)Cc1ccc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)s1 1529168591 GUBKJOVYVNWCPF-WZONZLPQSA-N 380.557 4.530 0 50 GJAA CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](CC(F)(F)F)C1CC1 2325744392 ZTMKSLJTHUWCLW-CYBMUJFWSA-N 394.231 4.697 0 50 GJAA CC(C)c1ccc([C@H](CO)NC(=O)Nc2ccc(Br)cc2F)cc1 2325828290 CWKNMTBAGPJHMG-KRWDZBQOSA-N 395.272 4.567 0 50 GJAA COc1ccc(-c2csc3ncn(-c4cccc(Cl)c4)c(=O)c23)cc1OC 798314 LHQLDLRHQXGVDR-UHFFFAOYSA-N 398.871 4.785 0 50 GJAA Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 1145098 NIVBUNKGHPYWKH-UHFFFAOYSA-N 385.423 4.730 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 1172609 FIUQIPQDIYGEID-UHFFFAOYSA-N 382.407 4.619 0 50 GJAA C[C@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CO)cc3)c(F)c2)cc1 1405417 MJYBOLOAOGAXNB-IAGOWNOFSA-N 396.458 4.679 0 50 GJAA O=C(CCCOc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 1779449 HWHDVTUZTLQENG-UHFFFAOYSA-N 381.472 4.974 0 50 GJAA Cc1cc(N2CCN(c3ccccc3C)CC2)n2nc(C)c(-c3ccccc3)c2n1 2380558 SODPRMSNNMKFJO-UHFFFAOYSA-N 397.526 4.648 0 50 GJAA Cc1nn(C)c(C)c1NC(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 2867491 JXPNSURSHYJZDR-UHFFFAOYSA-N 391.862 4.553 0 50 GJAA COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 4419857 CAZLJHYHPVRSPD-GXDHUFHOSA-N 384.435 4.579 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccccc2Br)s1 13549215 OPLLWIQYEYZCRO-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 14974061 WDHRUFJWEVUITB-NRFANRHFSA-N 394.515 4.527 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@@H]3CCO)c(C)o2)c2ccccc12 15061956 ZPZGDAJNMUKMKH-QGZVFWFLSA-N 380.488 4.549 0 50 GJAA C[C@@H](Oc1ccc2c(c1)CCC2)c1nnc(S)n1Cc1ccc(Cl)cc1 17078777 ZEFZQGHQKAPPIO-CYBMUJFWSA-N 385.920 4.897 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N3[C@@H](C)COC[C@H]3C)c3ccccc3n2)c1 17823873 VIAHISYNHKFPAU-CALCHBBNSA-N 390.483 4.550 0 50 GJAA Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c3c(c(=O)oc12)CCCC3 55416885 FLCYHGNABVODHT-UHFFFAOYSA-N 398.842 4.941 0 50 GJAA Cc1ncc(-c2cc(C(=O)N3CCCCCCC3)c3cc(F)ccc3n2)cn1 63847374 KBCPRRNEKAMKMD-UHFFFAOYSA-N 378.451 4.546 0 50 GJAA C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)[C@@H](O)CCC1OCCCO1 71786196 OMMSCPDCVWIERB-URLQWDBASA-N 384.607 4.593 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 72140612 MZAIVFXZPDGLSE-UHFFFAOYSA-N 376.464 4.547 0 50 GJAA Cc1ncc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Cl)c1Cl 153817183 ZSPXWMQUYCTXJH-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 170599578 STHRWXTXQHQYEQ-BLLLJJGKSA-N 376.909 4.914 0 50 GJAA CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](C)c3ccc(O)c(F)c3)c2)c1C 299783154 QTVLUXYCXYTSSM-ZDUSSCGKSA-N 381.451 4.523 0 50 GJAA O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1)c1ccc(Cl)cc1F 1506420559 IWYORZSTLDFUKO-PYJQOMOHSA-N 386.898 4.634 0 50 GJAA CO[C@@H](C)Cn1ccnc1-c1ccc(-c2ccc(C)cc2-c2cnn(C)c2)o1 2356145273 JAZHAGOGGYKFEX-INIZCTEOSA-N 376.460 4.554 0 50 GJAA Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2)cc1 670172 QBBRKQLVCDLYPE-QGZVFWFLSA-N 387.435 4.676 0 50 GJAA CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1SC(=S)N1CCCC1 717477 HAEVXMHZRYKDIX-UHFFFAOYSA-N 399.752 4.691 0 50 GJAA CCNc1ccccc1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1 991891 LRHXMTJSFZWXON-UHFFFAOYSA-N 389.451 4.737 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 995626 SWLSHNFDEWBASP-LBPRGKRZSA-N 390.936 4.904 0 50 GJAA Cc1cccc(S[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)O)c1 1057753 XVMCTOTWOAZALL-INIZCTEOSA-N 379.275 4.576 0 50 GJAA Cc1ccccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1063151 MKFQYHIZIVZKCS-UHFFFAOYSA-N 380.344 4.821 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CCc2ccccc2)s1 1114339 PQPHNGDXWHWKEU-UHFFFAOYSA-N 390.468 4.539 0 50 GJAA Cc1cccc(NC(=O)c2cc(I)ccc2Cl)c1C 1156692 WBNBLRAAEDEGKC-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)c1 2924747 FHKUZUPJARIUBB-RCCKNPSSSA-N 383.403 4.559 0 50 GJAA CC(=O)Nc1ccccc1OCCCCCCOc1ccccc1NC(C)=O 4582886 GLEYEPNQCZNQIL-UHFFFAOYSA-N 384.476 4.622 0 50 GJAA Cc1ccoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 11844166 YPYXDFZIZODHKB-XMMPIXPASA-N 380.532 4.840 0 50 GJAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)CCC2CCCCC2)O3)n1 12041293 RGLFZGPPFJXCDL-NRFANRHFSA-N 393.531 4.541 0 50 GJAA CSCCCN(C)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12470684 ZQDOIYLXFJTPPZ-SFHVURJKSA-N 388.543 4.645 0 50 GJAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 12706327 CLBXALCPZRFTRU-GOSISDBHSA-N 385.891 4.646 0 50 GJAA CSc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 19299844 VPBTVQHPOQBHLF-QFIPXVFZSA-N 395.616 4.504 0 50 GJAA O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19798739 QIRBBJRUUTUFMY-WUKNDPDISA-N 382.507 4.634 0 50 GJAA CCOc1ccc(C(=O)c2cc(I)ccc2Cl)cc1 96032435 BGRJXWMKCUZBIG-UHFFFAOYSA-N 386.616 4.574 0 50 GJAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 100580465 SDCWCBCCXXJTKX-UPRAQXHNSA-N 396.874 4.518 0 50 GJAA Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)ncc3Cl)s2)c(C)c1 129878002 IKGPLVPAHQIQFE-UHFFFAOYSA-N 379.272 4.776 0 50 GJAA Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)cc1 151546467 RRKBJGRAWROEKC-UHFFFAOYSA-N 376.460 4.922 0 50 GJAA Cn1cnnc1-c1cccc(NCc2cn(-c3ccccc3)nc2C(C)(C)C)c1 156810592 HPWDNWKNLAPWOJ-UHFFFAOYSA-N 386.503 4.577 0 50 GJAA COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1F 170677502 JKHNPOCRGMJTPD-SFHVURJKSA-N 394.446 4.616 0 50 GJAA CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCC=C4)[C@@H]21 205155759 TYSOMZQRYGBSKN-ZSJLCOTISA-N 380.484 4.922 0 50 GJAA COCCCN(Cc1ccc(OC)cc1)C(=O)c1[nH]c2ccccc2c1Cl 214983379 JPULKAJUJXBBOT-UHFFFAOYSA-N 386.879 4.509 0 50 GJAA COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O 217945559 WDEHJJXEMLVMMB-KRWDZBQOSA-N 392.451 4.804 0 50 GJAA biogenic C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C 225385207 PETRTMUPNFJLGM-OFQRWUPVSA-N 375.563 4.522 0 50 GJAA CC(C)c1nc2ccc(NC(=O)N[C@H]3CCO[C@H](c4cccnc4)C3)cc2s1 296548606 QRIPRHNUGFOZKK-WMZOPIPTSA-N 396.516 4.857 0 50 GJAA Cc1cccc([C@H](C)NC[C@H](CO)Cc2ccccc2Br)c1C 2325841971 LDWPRJIEHNKYRB-DLBZAZTESA-N 376.338 4.568 0 50 GJAA COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 668449 KSHKOVCBLHTQSV-UHFFFAOYSA-N 386.407 4.842 0 50 GJAA CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(=O)OC(C)C 994705 RPYKPAAQODHQMI-UHFFFAOYSA-N 375.490 4.835 0 50 GJAA CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)cc1 2752774 HRORGTZARQSXAE-UHFFFAOYSA-N 382.847 4.965 0 50 GJAA O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccccc1O 4130339 XIIZEPYIQWSQNA-UHFFFAOYSA-N 387.464 4.733 0 50 GJAA Cc1cc(OCCCCn2c(CCCNC=O)nc3ccccc32)ccc1Cl 4810163 RGNYGUYBTWIJRA-UHFFFAOYSA-N 399.922 4.536 0 50 GJAA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4)c3)nn12 5068701 GPRIVQRVBSOXHE-UHFFFAOYSA-N 397.891 4.629 0 50 GJAA C[C@H](CCc1c[nH]c2ccccc12)N1CCC(CO)(Cc2ccccc2)CC1 12194622 YCDBAXACZLDYQK-HXUWFJFHSA-N 376.544 4.806 0 50 GJAA CC(=O)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cs1 12479318 GWHLIUGMZAAABX-IBGZPJMESA-N 391.492 4.839 0 50 GJAA CSc1nsc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)n1 16652150 YEASTRMZGPCGGC-UHFFFAOYSA-N 383.523 4.920 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 20601158 RFTXOBFYUXYLMM-GOSISDBHSA-N 391.540 4.894 0 50 GJAA O=C([C@@H]1CC=CCC1)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 39355496 UGNZJDQAKCMTPP-CQSZACIVSA-N 376.378 4.601 0 50 GJAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nn1 72115839 VKDSHPCMHIJBCH-UHFFFAOYSA-N 399.248 4.984 0 50 GJAA CCSc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)s1 95382315 BGDCZLRPWDAQHG-HNNXBMFYSA-N 375.515 4.578 0 50 GJAA C[C@@H](NC(=O)NC1CCN(C2CCCC2)CC1)c1nc(-c2ccccc2)cs1 175745769 IKOLWKZSCRMHRE-MRXNPFEDSA-N 398.576 4.577 0 50 GJAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@H]21 195463273 MXZBUTLPJRKJDV-JOCBIADPSA-N 396.487 4.739 0 50 GJAA CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)C2)cc1 252493578 NDDPRAHTHYBIEN-LJQANCHMSA-N 387.277 4.545 0 50 GJAA O=C1N(Cc2ccccc2)CCC[C@]12CCCN2Cc1ccc(Cl)cc1F 2100534624 QEPJLLSIDQMTNF-QFIPXVFZSA-N 386.898 4.636 0 50 GJAA C[C@H](c1ccc(Br)cc1)c1noc(-c2ccc3c(c2)CCC[C@@H]3N)n1 2325821995 URQMVRBVQVJLQM-XIKOKIGWSA-N 398.304 4.987 0 50 GJAA Cc1cccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)c1 824896 DNYZCXBCXDVVSD-OAHLLOKOSA-N 375.658 4.672 0 50 GJAA CCOC(=O)CCc1c(C)c2cc(Cl)c(OCC=C(C)C)cc2oc1=O 1119975 ZTSMWMHDEWBSND-UHFFFAOYSA-N 378.852 4.596 0 50 GJAA O=C(Cc1ccccc1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 1207845 LXDYZYKXIJDUSF-UHFFFAOYSA-N 378.435 4.755 0 50 GJAA CC(C)(C)c1ccc(OCc2nn3c(Cc4ccccc4)nnc3s2)cc1 2877088 QUSCWUFYEUYVGR-UHFFFAOYSA-N 378.501 4.653 0 50 GJAA CC(C)COC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 4105390 JASGBQKYIHNNOX-AWEZNQCLSA-N 377.843 4.714 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 4663361 AXFSOYRRAHPVPM-UHFFFAOYSA-N 388.486 4.697 0 50 GJAA O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 7017229 XQADBYSJAYOQTA-UHFFFAOYSA-N 387.460 4.872 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C[C@H]2CC=CCC2)CC1 12302327 GVGVNVJQEFTVRY-IBGZPJMESA-N 391.515 4.881 0 50 GJAA CCOc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC 12474212 RVPSMWQNQIJFME-HNNXBMFYSA-N 383.467 4.578 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC23CCN(CC2CCCCC2)CC3)cc1Cl 14993098 SSVCJLBAWKKZJK-SFHVURJKSA-N 390.955 4.970 0 50 GJAA Cc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1 17135390 IKWOPIQOTHNSQF-UHFFFAOYSA-N 376.464 4.547 0 50 GJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc2c1 63835132 AXWISAMBHHEUPD-MRXNPFEDSA-N 376.504 4.786 0 50 GJAA CCN(C)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2c(C)c(C)ccc12 63856839 MLQREYBPQGHIHK-UHFFFAOYSA-N 376.504 4.698 0 50 GJAA COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O 82039454 FGNMRRVCHAEGFG-MRXNPFEDSA-N 393.405 4.515 0 50 GJAA Cc1nc(NC(=O)[C@@H](C)c2nnc(O)c3ccccc23)cc(-c2ccccc2)c1C 1857721374 LXCFKZMSCYBOAQ-HNNXBMFYSA-N 398.466 4.756 0 50 GJAA O=C([C@H]1CCCCc2ccccc21)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1875265975 VBXMSVRQNCPKTR-GOTSBHOMSA-N 375.512 4.877 0 50 GJAA COC1(c2nc([C@@H](C)Oc3ccc(Br)cc3Cl)no2)CCC1 1875331336 FUNQIKKEKNYYHA-SECBINFHSA-N 387.661 4.651 0 50 GJAA O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C2CCC2)nc1 1875362810 UILNUKHFYOACKW-UHFFFAOYSA-N 387.468 4.668 0 50 GJAA C[C@]1(Cc2ccc(C(F)F)cc2)CCCN1c1ccc2nnc(C(F)F)n2n1 2325756952 UFAVBZGOSQFTEW-LJQANCHMSA-N 393.388 4.601 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccccc2Cl)cc1 1050162 MYWGCNSGTANONV-SJORKVTESA-N 384.863 4.508 0 50 GJAA COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)c1 1052604 DRGYLXAOVABFNI-UHFFFAOYSA-N 377.421 4.986 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 1180472 KMTTXFPDKCUXKS-UHFFFAOYSA-N 392.386 4.660 0 50 GJAA O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)c(Cl)c1 2532636 IUYSJALJZXZGFR-UHFFFAOYSA-N 384.060 4.514 0 50 GJAA COc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OC)c1 2983236 DDCOTAOKLGUKOX-UHFFFAOYSA-N 384.259 4.808 0 50 GJAA COc1cc(OC)c(CNC23CC4CC(CC(C4)C2)C3)cc1Br 4165121 CQOSLQIPWBWANP-UHFFFAOYSA-N 380.326 4.525 0 50 GJAA COc1cc(Br)c([C@@H]2CC(=O)Nc3c2ccc(C)c3C)cc1OC 4838735 OWYBMQNPYTZASZ-CYBMUJFWSA-N 390.277 4.557 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccco2)cc1 5092065 KRMDLARPOXRORI-QGOAFFKASA-N 380.831 4.651 0 50 GJAA O=C(c1ccc[nH]1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67587359 QENVVUJEASJUIK-UHFFFAOYSA-N 390.464 4.637 0 50 GJAA C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]1c1ccsc1 248086013 DOHSKNGACPBCAY-YOEHRIQHSA-N 385.558 4.542 0 50 GJAA CC[C@H](C)[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)O 252540069 ORXOWLQQKRYEGW-CYFNAFFESA-N 391.870 4.617 0 50 GJAA O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1 253370509 RURQTQFJRQFMPK-RSWLRVIVSA-N 389.495 4.603 0 50 GJAA FC(F)Oc1cc(Br)c(Br)c(OC(F)(F)F)c1 263624397 QDBMAJWNPUQUBU-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA CCc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3c3ccnn3C)s2)cc1 328589320 KCKVBBYFKYYVRG-IBGZPJMESA-N 394.544 4.782 0 50 GJAA Cc1c(-c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)c(C(F)(F)F)nn1C 534649443 YINRKIKGMSSWPF-CYBMUJFWSA-N 379.426 4.677 0 50 GJAA CCOc1cc(C)c(CN2CCCN(Cc3ccncc3)CC2)cc1C(C)C 952976882 PITITRBTJRUZEQ-UHFFFAOYSA-N 381.564 4.620 0 50 GJAA Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cn2c(C)cccc2n1 1317955280 VAAFOHIJDCSDEV-AWEZNQCLSA-N 376.485 4.566 0 50 GJAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCOc1ccc(-c2ccccc2)cc1 2325707846 AQMGTVVOZQHXNG-JOCHJYFZSA-N 391.515 4.550 0 50 GJAA Cc1cccc(Oc2ncccc2NC(=O)c2sc([C@@H](C)N)nc2C)c1C 2325778621 GQHKVRNYQGSJOA-CYBMUJFWSA-N 382.489 4.528 0 50 GJAA Cc1cc(C(F)(F)F)ncc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822548 BBRKJHVINMNKCE-UHFFFAOYSA-N 398.812 4.746 0 50 GJAA CCCCc1oc2ccccc2c1C(=O)NCCc1cccc(CN(C)C)c1 2325862731 GEXLYJBHLIQHNV-UHFFFAOYSA-N 378.516 4.810 0 50 GJAA CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCO1 667857 ZHXNVSMORFYOHU-GOSISDBHSA-N 395.480 4.863 0 50 GJAA COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 828627 QTJFHGUUWFXVPY-UHFFFAOYSA-N 380.256 4.773 0 50 GJAA O=C(Nc1cccc(C(=O)Nc2cccc(Br)c2)c1)c1ccccc1 1129111 KQDXJBHXCKKGDR-UHFFFAOYSA-N 395.256 4.954 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 1225943 YKHIQTJPFXHGRX-ZKKFKWFVSA-N 399.877 4.911 0 50 GJAA biogenic FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Br)cn1 2858177 KTUIHAJIUNBKHD-UHFFFAOYSA-N 376.201 4.672 0 50 GJAA COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 2992947 PSCVWNPNUDXKSY-QPJJXVBHSA-N 382.243 4.671 0 50 GJAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)cc1 4424434 KMSWJWMJGPNOEF-HXUWFJFHSA-N 381.907 4.614 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1)NC1CC1 12058181 SIMXOCUIXKFXJJ-INIZCTEOSA-N 386.923 4.871 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C=C(C)C)C3)cc2)c1 15075886 DZZHLKBBLZCGON-HXUWFJFHSA-N 392.499 4.506 0 50 GJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCO[C@H](c2ccccc2)C1 27909000 HSGPJUNMNIHSPU-DEOSSOPVSA-N 395.462 4.511 0 50 GJAA Cc1ccccc1N1CCN(Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 55120384 ZMEWAEVIMJKDCH-UHFFFAOYSA-N 383.442 4.559 0 50 GJAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1 67605986 LMECVLYJUBBLSD-LJQANCHMSA-N 390.483 4.962 0 50 GJAA COc1ccc2cc([C@@H]3CN(c4ccc(-c5ccccc5)nn4)CCO3)ccc2c1 71751292 BOXUAJQFAJWSKR-DEOSSOPVSA-N 397.478 4.883 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC)C1 95511020 GFQTZVXPHAOYBW-KRWDZBQOSA-N 378.520 4.747 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239275117 BFBWEKPADQPKTF-HSKKSDQVSA-N 393.141 5.788 0 50 GJAA CSc1ccc(-c2csc([C@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1 328600068 VKKVAGNYLTWSHK-MRXNPFEDSA-N 392.546 4.840 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 871595 LCQVRNLJPLTZRY-PGAZUGQPSA-N 393.486 4.643 0 50 GJAA biogenic CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1cccc(Cl)c1 3049305 QRRBZUPBXJIZSC-UHFFFAOYSA-N 385.876 4.828 0 50 GJAA O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1ccco1 3100276 BPEWVPKKBHDHKJ-UHFFFAOYSA-N 386.860 4.988 0 50 GJAA O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 4872914 NRMZJYSNCDDPDV-UHFFFAOYSA-N 388.920 4.697 0 50 GJAA CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)c(Br)cc1O 5049759 ILVNAINEYSGELU-VQHVLOKHSA-N 386.245 4.978 0 50 GJAA COc1ccc(OC)c(CNc2ncnc3onc(-c4ccc(Cl)cc4)c23)c1 8603630 AQJNWYYYZYHFIE-UHFFFAOYSA-N 396.834 4.568 0 50 GJAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccc(Cl)cc2)oc1C)C1CC1 12594072 XOHORXRODGNXLM-UHFFFAOYSA-N 384.911 4.818 0 50 GJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cnc(C)s4)C3)ccc2c1 13593278 KQFDPMQZRUTXPA-LJQANCHMSA-N 380.513 4.708 0 50 GJAA Cc1ccc(Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1 18180252 NJLRKGMVDZGDKU-UHFFFAOYSA-N 380.498 4.724 0 50 GJAA Fc1ccc(F)c([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 19789047 LVGAMXBAAISRSS-HSZRJFAPSA-N 392.453 4.680 0 50 GJAA CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1ccc(Cl)s1 65381911 UAZPGJYIGVGPQF-NSHDSACASA-N 378.881 4.623 0 50 GJAA COCc1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 192596868 ZJNLUNVVLGELPV-INIZCTEOSA-N 385.533 4.580 0 50 GJAA Cc1ccc(NC(=O)CC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1-c1ncco1 253416823 DWLNQKLLUODILL-QGZVFWFLSA-N 399.491 4.768 0 50 GJAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@@H]1c1cccnc1 299776752 GWLPFTPOZDRGGP-LJQANCHMSA-N 375.476 4.550 0 50 GJAA Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1csc(-c2ccccc2)n1 410426488 IEVCIZLOOFIGFO-UHFFFAOYSA-N 399.541 4.520 0 50 GJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c(C)c1 952974708 IZPMZBFXPPVYCY-UHFFFAOYSA-N 390.443 4.523 0 50 GJAA O=C(NCc1cc(-c2ccco2)on1)c1ccc(CSc2ccccn2)cc1 952985902 BQFKYNVJZQSSMP-UHFFFAOYSA-N 391.452 4.552 0 50 GJAA CCOc1cc(Br)c(F)cc1NCc1nnc(-c2occc2C)o1 2325736423 OJBNIMCURFTECW-UHFFFAOYSA-N 396.216 4.550 0 50 GJAA CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 640926 GSRHNJFELXCFIG-QFIPXVFZSA-N 388.467 4.969 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 759183 KJMQJUDHLSJUIY-QGZVFWFLSA-N 397.302 4.745 0 50 GJAA COc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 1148631 KLSPYHRNDWXIKI-UHFFFAOYSA-N 377.506 4.751 0 50 GJAA O=c1cc(C(F)(F)F)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2o1 1164317 DQVMITXSLZCOEW-UHFFFAOYSA-N 398.720 4.773 0 50 GJAA CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 1183207 BZBFVVUCTQEGAU-IZZDOVSWSA-N 388.920 4.870 0 50 GJAA Cc1cc(OCc2cc(C(=O)N(C)[C@H](C)c3ccccn3)no2)cc(C)c1Cl 11874408 UNBPGJQOCRPQRU-OAHLLOKOSA-N 399.878 4.752 0 50 GJAA COc1ccc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)cc1 12571770 SKFMRMJCANEJPI-JOCHJYFZSA-N 392.499 4.840 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 36620739 VXNXZTPVSLIZQZ-INIZCTEOSA-N 378.831 4.865 0 50 GJAA CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F 65380368 CZNCGMCFTHSUSC-INIZCTEOSA-N 385.414 4.516 0 50 GJAA O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccc(Cn2ccnc2)cc1 156074831 UJVJGDWNHIDPAU-UHFFFAOYSA-N 385.471 4.649 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)nc2oc(-c3ccccc3)cc2c1N 169681476 KVELISULLHYYQB-UHFFFAOYSA-N 388.423 4.929 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2C(=O)N2CCCC[C@H]21 169766695 XUDWHQRYQYJWCG-FQEVSTJZSA-N 397.906 4.693 0 50 GJAA CCCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C 170615027 UFXRJMDYMDNASR-UHFFFAOYSA-N 391.876 4.753 0 50 GJAA COc1ccc(-c2noc([C@@H](NC(=O)c3cccc(Cl)c3)C(C)C)n2)cc1 238937069 TVASQUDFVFUVPA-KRWDZBQOSA-N 385.851 4.526 0 50 GJAA C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(C(=O)N(C)C)cc1 292216394 QJFSPGKYZUJDNE-KRWDZBQOSA-N 388.515 4.761 0 50 GJAA C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(C(=O)N(C)C)cc1 292216403 QJFSPGKYZUJDNE-QGZVFWFLSA-N 388.515 4.761 0 50 GJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCc4ccc(O)cc4C3)c2c1 730587209 NUOHSTWFZJLUEQ-UHFFFAOYSA-N 395.462 4.509 0 50 GJAA CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccnc(-c2ncc[nH]2)c1 1468325156 PHPDULBAGSDMIF-NRFANRHFSA-N 382.895 4.512 0 50 GJAA CCCC[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)C[C@H](C2CC2)O1 1875244017 INXCKBIJEBZKER-DNQXCXABSA-N 380.532 4.830 0 50 GJAA C[C@@H](c1ccc(Br)cc1)c1noc(-c2ccc3c(c2)CCC[C@@H]3N)n1 2325821994 URQMVRBVQVJLQM-SGTLLEGYSA-N 398.304 4.987 0 50 GJAA COc1cc([C@H](C)NC(=O)[C@H](N)c2ccc(F)c(Cl)c2)cc2ccccc12 2325860520 KNWFWYUIJCHQLI-FKIZINRSSA-N 386.854 4.518 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1 803543 ZFVQEFNMMHFWNK-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C 1054955 IVEJUXHRAWWDHH-UHFFFAOYSA-N 380.469 4.878 0 50 GJAA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 1136115 VOIGSPLAITZAOM-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA O=C(O)CCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2560010 QZQXRZXYWVQWAY-UHFFFAOYSA-N 381.472 4.950 0 50 GJAA biogenic,in-vitro Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccc(F)cc1 2796371 VIRMNNCDPJXTHY-UHFFFAOYSA-N 391.368 4.958 0 50 GJAA CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc32)cc1OCC 4016817 NCVXEYAKRVJMTQ-UHFFFAOYSA-N 397.515 4.869 0 50 GJAA COc1cc(CNCc2ccncc2)ccc1OCc1ccc(F)cc1Cl 7275014 XRTXMSZWVXJVID-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1cccc2c1OCO2 12385781 JLWYHZHFDFTAFR-LJQANCHMSA-N 389.499 4.713 0 50 GJAA CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 13330171 GYNPUAXIHYJDBR-OAHLLOKOSA-N 388.714 4.532 0 50 GJAA CCN(CC)C(=O)c1ccc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 19228431 WWKIAZNUHAAVRD-MRXNPFEDSA-N 390.936 4.861 0 50 GJAA C/C(=C\COc1c2c(cc3oc(=O)ccc13)OCC=C2)CC[C@@H](O)C(C)(C)C 27646527 VDZZXXJFQJNSPL-WLEBTQASSA-N 384.472 4.711 0 50 GJAA in-vitro CCNc1ncc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 71753415 KKUGLTANKPNSLD-MRXNPFEDSA-N 392.469 4.772 0 50 GJAA O=C(Cc1cccnc1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71774769 LCQLIRVWRXRHQI-MRXNPFEDSA-N 376.422 4.514 0 50 GJAA FC(F)(F)c1cc(NCc2noc(C3CCOCC3)n2)cc(C(F)(F)F)c1 153351565 UZTJMMAVNRBXGU-UHFFFAOYSA-N 395.303 4.613 0 50 GJAA Cc1cc(O)ccc1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 153972119 YAUCHPNXEMVTGV-UHFFFAOYSA-N 393.226 4.827 0 50 GJAA O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 170630640 SDZZZXHCJKQTIB-QGZVFWFLSA-N 383.536 4.551 0 50 GJAA O=C(c1cnc(NCCc2cc3ccccc3o2)c(Cl)c1)N1CCCCC1 170635480 ICAACOMBJXPEQI-UHFFFAOYSA-N 383.879 4.762 0 50 GJAA CC(C)C1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 175955554 FWFQLZHNBPFIGC-UHFFFAOYSA-N 382.386 4.655 0 50 GJAA O=C(OCc1nc(C2CC2)cs1)c1cc(-c2ccncc2)nc2ccccc12 180935637 GHALQDKERUZXCS-UHFFFAOYSA-N 387.464 4.988 0 50 GJAA CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@H]12 230156873 SDFWRNQJNYARMA-UNMCSNQZSA-N 379.891 4.664 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 238823005 DCAYCPIWFJSSCO-UHFFFAOYSA-N 381.259 4.507 0 50 GJAA Cn1c(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cc2cc(F)ccc21 1529095262 QVHXWTRNSXQYHC-FCHUYYIVSA-N 394.490 4.946 0 50 GJAA O[C@@H]1C[C@@H]2CN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)C[C@@H]2C1 1800412156 VLSSEKDCSXGGIL-ALXJQNPVSA-N 377.406 4.700 0 50 GJAA Cc1cc(Br)cc(C)c1CCNC(=O)Cc1c[nH]c2cccc(C)c12 1875356832 UPGNWKZPAIHIIG-UHFFFAOYSA-N 399.332 4.757 0 50 GJAA O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)OCc1cnccn1 2325736699 UGQMDGLBLNTAMD-FPYGCLRLSA-N 398.821 4.605 0 50 GJAA Cc1nc2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2s1 2325822655 HEZNUTYFGNZKGH-UHFFFAOYSA-N 386.904 4.942 0 50 GJAA O=c1[nH]c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)[nH]1 639004 JJOLJNZIRYMBPU-UHFFFAOYSA-N 394.066 4.562 0 50 GJAA CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@H](C)C3)cc1 722319 ZIRHMVPEKMUWCR-ZDUSSCGKSA-N 386.517 4.872 0 50 GJAA O=C(Nc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccccc1 885898 BJAXRKAKOHXWFQ-UHFFFAOYSA-N 385.217 4.547 0 50 GJAA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1F 1137049 SUEJHRFXCBQDJZ-UHFFFAOYSA-N 378.472 4.543 0 50 GJAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2)CC1 1200906 ZFTOGIMGOSTJPX-UHFFFAOYSA-N 399.519 4.926 0 50 GJAA Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 1216994 MFYQALGIVVQLPJ-UHFFFAOYSA-N 389.293 4.994 0 50 GJAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 1234473 BHRFLJHKYPUOJM-UHFFFAOYSA-N 379.437 4.898 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(OC)ccc12 2532652 FABLRYLDGZXSNO-UHFFFAOYSA-N 391.398 4.648 0 50 GJAA CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 2857043 ZENUXSAXQAOKAX-UHFFFAOYSA-N 398.322 4.601 0 50 GJAA CN(C)c1ccc(Sc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 5585949 ZXOZQSWZUBXEEG-UHFFFAOYSA-N 389.481 4.538 0 50 GJAA CCOC(=O)c1c(NC(=S)N2C[C@H](C)C[C@@H](C)C2)sc2c1CCCCC2 5979974 DJJDELITCURDFD-ZIAGYGMSSA-N 394.606 4.868 0 50 GJAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)cc1 12435261 XWWHZJIETIHAGT-IBGZPJMESA-N 377.488 4.510 0 50 GJAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)nn2C)cc1 12585978 HULDDUFSSRZWGW-DEOSSOPVSA-N 398.510 4.560 0 50 GJAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c(-c2ccccc2Cl)noc1C 33086787 OOTJVSLXUCFCPO-MRXNPFEDSA-N 385.851 4.886 0 50 GJAA Cc1ccc2nc(-c3cnn(C(C)(C)C)c3)c(C)c(C(=O)N(C)C(C)C)c2c1 63835246 PBTLMRZNLKKHKF-UHFFFAOYSA-N 378.520 4.951 0 50 GJAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71754487 CXDUJHXLHQOMLC-INIZCTEOSA-N 380.410 4.795 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCc3n[nH]cc3C2)cc1 72410821 DQBMXJBBDQTQDO-UHFFFAOYSA-N 384.483 4.500 0 50 GJAA CCS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 118248122 QUIVVSMZLZIMCN-UHFFFAOYSA-N 389.860 4.646 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 257357870 QNCHNEOJTWMTPT-CMPWBTPBSA-N 383.576 4.715 0 50 GJAA Brc1cccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 257370768 HEGRQVZYUPRVKO-VQTJNVASSA-N 377.370 4.678 0 50 GJAA O=C(O)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 373853736 BEISPJSDZDMBLM-ZOBUZTSGSA-N 383.410 4.650 0 50 GJAA O=C(Nc1ccsc1Cl)N1CCOC[C@@H]1c1nc2ccccc2s1 374337702 PWFXAVSDMPGOEQ-GFCCVEGCSA-N 379.894 4.617 0 50 GJAA Cc1cc(-c2cccc(C(=O)N(C)Cc3noc(C4CC4)n3)c2)ccc1Cl 426669010 LSOQTGLQIFWMPL-UHFFFAOYSA-N 381.863 4.848 0 50 GJAA C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1cc(=O)oc2cc(O)ccc12 1473453209 CNKIQGVHRJXDSF-ZDUSSCGKSA-N 391.389 4.580 0 50 GJAA CCCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CCC2(C=C(C)CCO2)CC1 1704299144 ONMZPJXQLGUWGB-FQEVSTJZSA-N 395.547 4.668 0 50 GJAA CC(C)(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 2325874548 QNLCRYOSHKIHQU-ZDUSSCGKSA-N 383.275 4.524 0 50 GJAA CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c3cc2C1 661958 KIHRNLOBSDNEAM-ZDUSSCGKSA-N 393.512 4.848 0 50 GJAA COc1ccc([C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 662457 ANHWSKCBERYBNG-QHCPKHFHSA-N 394.492 4.792 0 50 GJAA CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 1068782 MQNBXQQKBFEECF-UHFFFAOYSA-N 385.301 4.757 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1C 1215123 NRVQLAPSHBJBNQ-ZOVQAKDCSA-N 393.486 4.874 0 50 GJAA COc1ccc(NC2=C3C[C@@H](C)CC=C3N(c3ccc(OC)cc3)C2=O)cc1 1422862 PGXBXPZFKWINTM-HNNXBMFYSA-N 376.456 4.730 0 50 GJAA O=C(NC(=S)Nc1ccccc1O)c1cc(-c2ccccc2)nc2ccccc12 2801054 UXIIWTOQGXAVEI-UHFFFAOYSA-N 399.475 4.734 0 50 GJAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CCc1ccccc1 2843770 SNGXWSMYPNHGPR-UHFFFAOYSA-N 390.874 4.954 0 50 GJAA Cc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2c1 4487074 WLPLICWXKMHCQL-KRWDZBQOSA-N 395.466 4.693 0 50 GJAA COc1c(F)c(F)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1F 4727702 RXIBJWHASAPCSM-CJUVXIJUSA-N 385.401 4.586 0 50 GJAA O=C(Nc1cccc(-c2noc(CCc3ccccc3)n2)c1)c1cccs1 6697646 RHMGNYXCKQMZAJ-UHFFFAOYSA-N 375.453 4.836 0 50 GJAA Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)c1sccc1Cl)O2 12152531 VJDUZAHCWDCLKK-OAHLLOKOSA-N 384.888 4.505 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CCCC(F)(F)F 12307468 JXJNNFVQWIELFE-QGZVFWFLSA-N 393.409 4.619 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12597853 DATPJPPILXRQGU-GOSISDBHSA-N 392.430 4.577 0 50 GJAA COc1ccc(NC(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)c(C)c1 12716462 GUURZQMMAYOUIP-INIZCTEOSA-N 378.476 4.689 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccccc2F)CC1 15064066 QTTLTKKKXJGTRF-UHFFFAOYSA-N 395.503 4.800 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccc(Cl)cc1 22458492 OXAMXVAQYBELFJ-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 36366346 DJABWDIXJBYBJW-GOTSBHOMSA-N 395.462 4.717 0 50 GJAA Cc1ccccc1CN1CCC(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 44918329 RACOGJRRRUMTTI-JOCHJYFZSA-N 392.543 4.626 0 50 GJAA O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)c(Cl)c1 170075518 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COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1Cl 851927 SSNIBGUCMHRCND-FPYGCLRLSA-N 396.668 4.772 0 50 GJAA Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 1138817 LQBRXEYCNHTYMV-CYBMUJFWSA-N 377.271 4.602 0 50 GJAA O=c1[nH]c(SCc2ccc(Br)cc2)nc2sc3c(c12)CCC3 1156202 BQJFKUJBBMELNZ-UHFFFAOYSA-N 393.331 4.528 0 50 GJAA COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2ccc(F)cc2)c1 1187013 JALDHDPJGYYZHA-JOCHJYFZSA-N 391.442 4.788 0 50 GJAA CCOC(=O)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 2782878 RRPPOOLLANVZMO-UHFFFAOYSA-N 394.949 4.595 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 4834372 JMIGQAQGROKGBZ-LLVKDONJSA-N 398.684 4.826 0 50 GJAA CC(C)(C)c1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1 6262705 FVMUVKSGCGZIFL-UHFFFAOYSA-N 398.470 4.544 0 50 GJAA O=C1CC[C@H](N2CCC[C@@H](c3ccccc3)C2)CCN1Cc1cccc(F)c1 12190580 LKCZNYXAOVYXCY-GGAORHGYSA-N 380.507 4.586 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2C)c1 12386471 DZPWZWITBPWAHA-XMMPIXPASA-N 381.479 4.968 0 50 GJAA 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Fc1ccc(-c2csc(CN3CCC[C@@H](OCc4ccccn4)C3)n2)cc1 1506428956 RNLQLPZCTIYXLR-LJQANCHMSA-N 383.492 4.525 0 50 GJAA C[C@H](Oc1ccccc1)c1nn2c(CSCCc3ccccc3)nnc2s1 1857795480 UEVSYQAEAPJLTH-HNNXBMFYSA-N 396.541 4.802 0 50 GJAA C[C@@H](Oc1ccccc1)c1nn2c(CSCCc3ccccc3)nnc2s1 1857795481 UEVSYQAEAPJLTH-OAHLLOKOSA-N 396.541 4.802 0 50 GJAA CCOP(=O)(OCC)C(NC(=O)c1ccccc1Cl)=C(Cl)Cl 2674919 JOPLKFJTZLCHBK-UHFFFAOYSA-N 386.599 4.940 0 50 GJAA O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1c(F)cccc1F 2760951 FEIBDYNSMWOJBI-UHFFFAOYSA-N 382.197 4.769 0 50 GJAA COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)c1 4841155 VAYPBEALOQAQPK-UHFFFAOYSA-N 385.423 4.973 0 50 GJAA COc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C3CCCCC3)n2)cc1 7759660 PEDFQENEMULWEE-UHFFFAOYSA-N 385.508 4.843 0 50 GJAA COc1ccccc1N1CCC(N[C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 11662769 XUBLWNHSGTYMON-SFHVURJKSA-N 390.531 4.509 0 50 GJAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc4oc(C(C)C)nc4c3)C2)c1 11879645 VZGOFLTYSYNDAL-MRXNPFEDSA-N 394.471 4.598 0 50 GJAA COc1cccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1OC 12574599 JRPJPQUPKCQJGL-LJQANCHMSA-N 397.515 4.586 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N(C)C4CCCCC4)co3)ccc2s1 12705968 HTSITUCRYDFGHD-UHFFFAOYSA-N 385.489 4.576 0 50 GJAA O=C(COc1ccccc1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 13625564 XHBJLEZJGADRDL-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA CN(CC12CC3CC(CC(C3)C1)C2)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 14993446 QRHMEDOEJCUJPC-RZTYHALVSA-N 398.566 4.855 0 50 GJAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1 15071483 WGNWVHBFDNEOMI-DEOSSOPVSA-N 394.515 4.723 0 50 GJAA Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20616143 NHMBUYBPRZMCDE-UHFFFAOYSA-N 379.407 4.555 0 50 GJAA Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCCC2)n1 64801435 JKRNSHOMPSHIGR-UHFFFAOYSA-N 388.475 4.773 0 50 GJAA CCCn1nc(C)c(CNC(=O)c2ccc(CSc3ccccn3)cc2)c1C 65426010 AVGJNMLLCKPLBG-UHFFFAOYSA-N 394.544 4.527 0 50 GJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(CCc1ccccc1)C2 67654889 ODJZLARIEPFYOX-UHFFFAOYSA-N 380.875 4.545 0 50 GJAA Fc1cccc(OCc2noc([C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 225572580 YCCWWDFFBFMJNF-KDOFPFPSSA-N 392.789 4.825 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cn(C)nc1C)[C@@H]2O 229893620 MEPYNTVXLJQGPP-DQTMNYIRSA-N 392.543 4.648 0 50 GJAA CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 238882077 CHKIYNDAMSPSOR-YECZKDOJSA-N 386.586 4.935 0 50 GJAA CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)n1 249680106 AGPNLNWYOUSSOT-WDPZDACHSA-N 378.516 4.519 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612312 HZUUHCXBSGFHDC-YMRPHBTKSA-N 376.537 4.750 0 50 GJAA Cc1cc(C)nc(-c2cccc(C(=O)NC3CCN(c4ccccc4)CC3)c2)c1 299784199 HHHQYPJMSODYDG-UHFFFAOYSA-N 385.511 4.764 0 50 GJAA CC1([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCCCC1 394665728 IFIPWXDCTFSSKZ-OAQYLSRUSA-N 393.483 4.949 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 680555284 NOIVBCABQOEOKD-UHFFFAOYSA-N 379.412 4.757 0 50 GJAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cc(=O)oc2cc(O)ccc12 1473305405 GLNLOCQLFPZHLP-NSHDSACASA-N 390.266 4.925 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(-c2ccsn2)n1 1875331821 WICWQGUPCVYZCR-SSDOTTSWSA-N 386.658 4.749 0 50 GJAA COc1cc(OC)c2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1 601725 LTDQGCFMTVHZKP-UHFFFAOYSA-N 375.218 4.752 0 50 GJAA Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 635794 NAWVBLZNAIAHLQ-VXKWHMMOSA-N 398.491 4.861 0 50 GJAA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc(Cl)c1 977589 KMEIGMGYLCGTAM-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2C)cc1 1077027 BFTDSWNQCYEBTQ-UHFFFAOYSA-N 394.544 4.819 0 50 GJAA CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCCC2 1118288 JHADJTDOPBBPEA-UHFFFAOYSA-N 389.542 4.925 0 50 GJAA Cc1ccc(NC(=O)c2cnc(Nc3nc4ccccc4s3)nc2C)cc1 1266102 HCCZQLBFQDLEFM-UHFFFAOYSA-N 375.457 4.699 0 50 GJAA CCn1c2ccccc2c2cc(NC(=O)C(=O)NC3CCCCCCC3)ccc21 1832670 FTFOTLRTFUHUPJ-UHFFFAOYSA-N 391.515 4.982 0 50 GJAA O=C1CS[C@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O 2949835 KEGQNJITMFBVAC-OAHLLOKOSA-N 384.682 4.587 0 50 GJAA CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1 4571468 TUKAMVCXJFVPBW-HSZRJFAPSA-N 398.572 4.941 0 50 GJAA CCCCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 4869175 FFFQOTAMNGIPIZ-UHFFFAOYSA-N 383.473 4.646 0 50 GJAA Cc1ccccc1NC(=O)c1cnc(Nc2nc3ccccc3s2)nc1C 8971389 YBWKSEMGFCEYGG-UHFFFAOYSA-N 375.457 4.699 0 50 GJAA Cc1noc(C)c1CN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95382397 ZQOJJFWUCJHGIB-OAQYLSRUSA-N 379.548 4.526 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C4CCCC4)C3)cc2)c1 95507897 WIZHQKXVUXHZEZ-FQEVSTJZSA-N 378.516 4.955 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]21 100263198 RHKPIYXWINNWJU-HOJOPBEUSA-N 381.781 4.617 0 50 GJAA Clc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100561187 OBLMXTWFMGMUBM-MRXNPFEDSA-N 387.668 4.750 0 50 GJAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)Nc1ccccc1CC(F)(F)F 174017676 GEWBURZSSZUCIV-MRXNPFEDSA-N 380.366 4.603 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 175431641 BRGKTZFFSVQWCQ-LJQANCHMSA-N 390.527 4.741 0 50 GJAA Cc1sc(Cl)nc1C(=O)N1CCC[C@H]1c1cccc(Br)c1 253431052 GIBBOJDHKXGLJA-LBPRGKRZSA-N 385.714 4.845 0 50 GJAA C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(C(F)F)nc1 850450168 DPQSUQGKLIMIJS-MCIONIFRSA-N 379.426 4.945 0 50 GJAA Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)s2)cc1 1857798829 CHPJNRQIBXYTLG-UHFFFAOYSA-N 398.553 4.860 0 50 GJAA Cc1nc2ccc3nc(NC(=O)N4CCc5ccc(F)cc5C4)sc3c2s1 1875327740 IUJVAHBPTRYBRO-UHFFFAOYSA-N 398.488 4.944 0 50 GJAA O=C(NCc1ccnc2ccccc12)c1cc(-c2ccc3ccccc3c2)[nH]n1 1875332284 SSPJLNXZFJCKSE-UHFFFAOYSA-N 378.435 4.708 0 50 GJAA O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1cc(Cl)ccc1Cl 941283 AHPMDLFYXNQWPZ-UHFFFAOYSA-N 385.609 4.568 0 50 GJAA O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1nccs1 951009 XMZOVPSZVRMFGX-SOFGYWHQSA-N 375.247 4.818 0 50 GJAA CCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 992947 FELZLKTZLQFIJY-UHFFFAOYSA-N 387.435 4.541 0 50 GJAA O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NCCc1ccccc1 1140974 CAUJHDXPGCMQDX-UHFFFAOYSA-N 388.945 4.915 0 50 GJAA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 1217388 RLQNIEUBOHFDBN-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA Cc1ccc(NC(=O)CCCC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1Cl 2817944 HRJVDAFHBKDATR-HNNXBMFYSA-N 387.863 4.572 0 50 GJAA CCc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 2981855 MONSTSLOOBGAHI-UHFFFAOYSA-N 382.268 4.872 0 50 GJAA CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 4664902 UWSWSYVRVLUZLD-UHFFFAOYSA-N 378.457 4.546 0 50 GJAA CN(Cc1ccno1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 11947704 CHWMKJDENJPSJI-UHFFFAOYSA-N 398.466 4.965 0 50 GJAA CSCCCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12054569 IPAONOFVFGIZLE-IBGZPJMESA-N 382.573 4.549 0 50 GJAA CC1(C(=O)N2CCC(c3[nH]ncc3CCc3ccccc3)CC2)CCCCC1 12242080 PPCLOIAOQQSLIE-UHFFFAOYSA-N 379.548 4.871 0 50 GJAA CC(=O)O[C@H](COC(c1ccccc1)c1ccccc1)CN1[C@@H](C)CCC[C@H]1C 96027807 FJYUFFBYTLIJHR-ROKPMTFOSA-N 395.543 4.987 0 50 GJAA Cc1nnc(-c2cccc(C(=O)Nc3nc4ccccc4n3C3CCCC3)c2)o1 175177517 DPGHXVRVAKANOB-UHFFFAOYSA-N 387.443 4.762 0 50 GJAA COCc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 192596886 ZJNLUNVVLGELPV-MRXNPFEDSA-N 385.533 4.580 0 50 GJAA Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)sc2C)c(C)c1 239025484 BRUNFBNOKYQHBL-CWLKWCNXSA-N 396.512 4.587 0 50 GJAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ccncc2)C1 328592044 QLEDHHDTXBUSJO-MRXNPFEDSA-N 393.314 4.954 0 50 GJAA O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1Br 958618 ZFBPEMZWKOCJHE-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1 1114140 UZNUUXOTNVDAQH-FQEVSTJZSA-N 396.284 4.977 0 50 GJAA O=Cc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc12 1130598 IZSSTROKEVLSQM-UHFFFAOYSA-N 380.753 4.765 0 50 GJAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 1172894 BSYKEWWUPYXMKJ-LBPRGKRZSA-N 376.909 4.615 0 50 GJAA Cc1c(NC(=O)CSCc2ccc(Cl)cc2Cl)cccc1C(=O)O 2850433 CHKVCOHMBJWHHA-UHFFFAOYSA-N 384.284 4.872 0 50 GJAA Cc1[nH]c2ccccc2c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O 4866280 NFAJMWRPWJIFRM-OAHLLOKOSA-N 386.245 4.680 0 50 GJAA CSC1=NC(C(O)(c2ccccc2)c2ccccc2)=C[C@H](c2ccccc2)N1 6408250 GPAXSHYGCADKMB-OAQYLSRUSA-N 386.520 4.870 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccccc2)CC1 11815051 CEXIDVFTZAZPNU-UHFFFAOYSA-N 377.513 4.661 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N(C)Cc4ccc(C)o4)csc3n2)c1 11935576 FIXIPYGELRYSLL-UHFFFAOYSA-N 379.485 4.853 0 50 GJAA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cc(C(C)C)[nH]n4)C3)ccc2c1 12300219 XXMBUQGZVAKEEL-FQEVSTJZSA-N 391.515 4.790 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C 13423795 RMEZJKHOZLUOHB-LNJAHKAPSA-N 388.548 4.606 0 50 GJAA biogenic,in-vitro CC[C@H](C)CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 14954712 CMIYGWSJAQRXHW-LRDDRELGSA-N 389.492 4.613 0 50 GJAA Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 19635712 HAVQFNKGUYAOAE-INIZCTEOSA-N 392.381 4.697 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100651887 ZJPUBPDRVNYLRK-HTUUBCJYSA-N 381.431 4.944 0 50 GJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl 170591292 UPGXASUNTWFQNN-MRXNPFEDSA-N 396.318 4.856 0 50 GJAA C[C@H](Nc1ncnc2[nH]ccc12)c1ccc(NC(=O)c2ccc(F)cc2)cc1 170620452 XHSQQVDCWWRHMF-ZDUSSCGKSA-N 375.407 4.522 0 50 GJAA Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 263617262 MZACHYGDYILPLM-SFHVURJKSA-N 396.809 4.664 0 50 GJAA O=C(/C=C/c1ccccc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 730223323 NAUQXAPFWBROFA-IPLHWJFFSA-N 380.246 4.746 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(CC3CCC(F)(F)CC3)C1)CC2 1857693162 KTZOISIRCBLCHH-OAQYLSRUSA-N 393.522 4.585 0 50 GJAA Cc1cccc(C)c1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 628619 HKUZFGGAUHMDDP-UHFFFAOYSA-N 376.485 4.539 0 50 GJAA CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 1123293 BINNTNVJIMRTCW-AWEZNQCLSA-N 378.563 4.782 0 50 GJAA COc1ccccc1N1C(=O)c2cccc(Oc3ccc(Cl)cc3)c2C1=O 1152254 HZDSAQATGYWDAL-UHFFFAOYSA-N 379.799 4.942 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1Cl 1169053 VXGJQSHEYUGQEH-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(OCc2ccccc2)cc1 1204423 NUDSBKJJQRABDE-QFIPXVFZSA-N 391.423 4.564 0 50 GJAA O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 1326948 ALKRGCPQZRIPKP-UHFFFAOYSA-N 392.933 4.518 0 50 GJAA CCCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc(C)c1C 2101526 VTWAPMVIEISEBA-UHFFFAOYSA-N 381.881 4.846 0 50 GJAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 2850330 IKIHJVJWZYYSGE-SFHVURJKSA-N 389.411 4.793 0 50 GJAA COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1 2872575 JJAQZDAUNYOOOH-UHFFFAOYSA-N 380.256 4.773 0 50 GJAA O=C(CSc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 4670445 YCQQNFDEKXJEAJ-UHFFFAOYSA-N 375.906 4.513 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1 4916848 PZDBEAQDQRYKKF-MRXNPFEDSA-N 395.421 4.849 0 50 GJAA COc1cccc(CN2CCC[C@H](NCc3nc(-c4ccccc4)cs3)C2)c1 22929166 NGGHOEYMVAYDES-FQEVSTJZSA-N 393.556 4.573 0 50 GJAA OC[C@H]1CCCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 72457490 DEHUFGOOTAJQKB-HNNXBMFYSA-N 384.882 4.899 0 50 GJAA CC(=O)c1ccc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)cc1 77523900 GECHTIRPCNCWAB-UHFFFAOYSA-N 387.483 4.608 0 50 GJAA CN(Cc1csc(-c2cccs2)n1)Cc1cnc(N2CCCC2)s1 219016641 YDTNTBGAHJWTAK-UHFFFAOYSA-N 376.576 4.560 0 50 GJAA C[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2ccccc2o1 746645482 SUHBMOFCRQNALW-CYBMUJFWSA-N 389.430 4.926 0 50 GJAA Cc1cc(C(=O)NC2CCN(Cc3cccs3)CC2)c2ccc(C)c(C)c2n1 825124910 PVJIURFRQGQQPQ-UHFFFAOYSA-N 393.556 4.616 0 50 GJAA O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1Cc1ccco1 872121 CVFUDRFYLJIBLX-SFHVURJKSA-N 383.245 4.809 0 50 GJAA O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 1136358 WOFDXQHNHUUFPG-UHFFFAOYSA-N 377.415 4.877 0 50 GJAA CCCCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 1801381 CRICFTWGDPIFES-UHFFFAOYSA-N 389.879 4.931 0 50 GJAA O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2cccs2)on1 2465671 NSFMUSKFQHAPOA-UHFFFAOYSA-N 385.189 4.696 0 50 GJAA CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 2986562 VRIBBMCJHFHSDS-UHFFFAOYSA-N 378.428 4.963 0 50 GJAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 4628343 DOXRVASAEKSWAY-BKUYFWCQSA-N 391.373 4.888 0 50 GJAA CCOc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3ccccc3n2)cc1 6488354 MZFZVIPNYHDXOH-UHFFFAOYSA-N 386.455 4.595 0 50 GJAA CC(C)c1cc(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)no1 77353906 HDWQXPXYLUVNNC-UHFFFAOYSA-N 382.382 4.500 0 50 GJAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 91678893 SPOZTATVZGXHHA-IBGZPJMESA-N 377.492 4.701 0 50 GJAA CC(C)N(CCNC(=O)[C@H](Oc1ccccc1Cl)c1ccccc1)C(C)C 96027289 PCRVPDBKCNDFRF-OAQYLSRUSA-N 388.939 4.695 0 50 GJAA CC(=O)N1CCC(NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 236632056 VJGYHRZQAIKQRI-FQEVSTJZSA-N 395.934 4.554 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 257347856 WMUMZOAFCDOTRW-RCADRCRZSA-N 390.564 4.686 0 50 GJAA CCn1nc(C)c([C@@H](C)NC(=O)c2cccc(-c3ccc(NC)cc3)c2)c1C 299793168 JRMCOMUEJXPGOV-OAHLLOKOSA-N 376.504 4.720 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C(=O)c3ccccc3)cc12 624927 YVOJIVFGBHPTRO-UHFFFAOYSA-N 397.430 4.578 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc3ccccc23)NC(=O)N1 862491 UZFPXJJOFXGMLQ-HXUWFJFHSA-N 391.858 4.760 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1 1050396 ANKYHZQJUFXGGK-UHFFFAOYSA-N 396.512 4.915 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1C 1215121 NRVQLAPSHBJBNQ-PGAZUGQPSA-N 393.486 4.874 0 50 GJAA OCCCNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1814341 IWKGXPVPDJNYDN-UHFFFAOYSA-N 392.684 4.507 0 50 GJAA CCOC(=O)[C@@H](CC)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2959402 FXAQSRVPSOCYOW-HXUWFJFHSA-N 394.467 4.721 0 50 GJAA biogenic COc1cccc(C(=O)[C@@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)c1 11933007 FBUVXIDJPIEAKN-QGZVFWFLSA-N 396.512 4.815 0 50 GJAA COc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1 13961184 HMTQLARVMQUOEL-UHFFFAOYSA-N 398.466 4.867 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cc(O)c3ccccc3n2)C1 19731601 ONIBPRJWWZXPDC-MRXNPFEDSA-N 392.524 4.757 0 50 GJAA COc1cc(Cl)ccc1[C@H]1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O 34614235 ZBQMTQGDBFZUBG-NRFANRHFSA-N 398.865 4.952 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1 35511192 UKVIDCTWQTWCJF-OAHLLOKOSA-N 389.814 4.716 0 50 GJAA Cc1ccc2[nH]c(SCC(=O)Nc3nc4cc(Cl)ccc4s3)nc2c1 45068068 GKHAKZXJPUQRTP-UHFFFAOYSA-N 388.905 4.865 0 50 GJAA COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4n3C)oc2c1 91519278 RWAAXDWMJJDJMR-LJQANCHMSA-N 389.455 4.614 0 50 GJAA Cc1c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)oc2ccc(F)cc12 238901363 LPWFCRMUWWTFEB-UHFFFAOYSA-N 395.817 6.578 0 50 GJAA Fc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 263616062 GTZIECXDBWPYFI-GOSISDBHSA-N 396.809 4.664 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CC[C@H]4CCC[C@H]43)nn2-c2ccccc2)cc1 428526116 HBOZWQVCGPYUKV-VGOFRKELSA-N 387.483 4.563 0 50 GJAA O=C(Nc1nnc(-c2ccccc2)s1)C1(c2ccc(F)cc2F)CCCC1 1351066284 HNYXNHIDHOVROI-UHFFFAOYSA-N 385.439 4.934 0 50 GJAA O=C(NC1CCC(C2CCC2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 1875334425 NPBCGZNHEJHLRC-UHFFFAOYSA-N 380.536 4.811 0 50 GJAA Cc1sc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)CC2)cc1-c1ccc(F)cc1 1875338940 QSXYRXZYFUMCEP-GDBMZVCRSA-N 375.465 4.626 0 50 GJAA O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 643668 KJALYPVPNHXDOJ-UHFFFAOYSA-N 392.324 4.851 0 50 GJAA Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(F)cc2)c1 752770 ALCGTUDMLRZXKN-UHFFFAOYSA-N 396.425 4.686 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 792524 TUAVCBUXDBOTGY-UHFFFAOYSA-N 384.564 4.675 0 50 GJAA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)[C@H]1C[C@H]1c1ccccc1 2761515 NEOSFJBKQOZFLS-HOTGVXAUSA-N 386.282 4.980 0 50 GJAA CC(C)(C)C1CCC(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1 2780181 FIIXSNYPFFTIOQ-UHFFFAOYSA-N 390.478 4.879 0 50 GJAA COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc4ccccc4o3)cc12 4262881 ZIPUPBSPRIXJKC-UHFFFAOYSA-N 394.379 4.510 0 50 GJAA biogenic CSc1ccccc1C(=O)Nc1ccc(I)cc1C 4808996 BLNPPSGNMODKSR-UHFFFAOYSA-N 383.254 4.574 0 50 GJAA COc1cc(/C=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)ccc1O 4993655 JPDDODBAHRKSLR-WYMLVPIESA-N 398.462 4.524 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(CO)CC2)c(C)s1 11815460 JESHRQOINWDHLN-UHFFFAOYSA-N 399.535 4.561 0 50 GJAA Cc1ccccc1[C@@H](CC(=O)N(C)Cc1c(C)nn(C)c1C)c1ccccc1 12196127 QIMKVELETGHKND-QFIPXVFZSA-N 375.516 4.526 0 50 GJAA Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)(C)C)c3)nc2c1C 63856078 ZACWLPMPXOADMC-UHFFFAOYSA-N 378.520 4.951 0 50 GJAA CCc1nc(C)sc1Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65461679 PPNSZVXMVUIMFJ-UHFFFAOYSA-N 379.485 4.678 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(c4nc5ccccc5s4)C3)C2=O)c1 72154575 ODNFDLUHEKJZHL-HSZRJFAPSA-N 391.540 4.624 0 50 GJAA CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 239310105 IBVUWOBSESRAEG-XPGKHFPBSA-N 389.514 5.906 0 50 GJAA Clc1ccccc1-c1noc(-c2ncn3c2CO[C@H](c2ccccc2)C3)n1 263616777 KMHPSICPPOHKNU-KRWDZBQOSA-N 378.819 4.525 0 50 GJAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC(c2cccc3cnccc23)CC1 366777209 PGBAESSWQSPQEV-HNNXBMFYSA-N 377.488 4.739 0 50 GJAA COc1cccc2ccn(CCC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)c12 409414241 JIWFYYHZQTWXTN-FQEVSTJZSA-N 387.483 4.715 0 50 GJAA O=C(N[C@H](CO)c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 483136777 RABLZZRBWGBRBX-HXUWFJFHSA-N 385.385 4.836 0 50 GJAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCO[C@H](c2ccccc2)C1 952969047 GZWUOMLJKXYBCI-NRFANRHFSA-N 390.508 4.588 0 50 GJAA O=C(C[C@H]1OCCc2sccc21)N1CCC(c2cccc3cnccc23)CC1 1875261465 TZLYDTBBWDGUFP-OAQYLSRUSA-N 392.524 4.706 0 50 GJAA N[C@H]1C[C@@H](NCC2(c3cccc(Br)c3)CCCC2)c2ccccc21 1875344411 KBOSETSSJLHRBA-VQTJNVASSA-N 385.349 4.995 0 50 GJAA Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 942629 QXPNYVXVJGVWMB-UHFFFAOYSA-N 388.183 4.794 0 50 GJAA CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 1137048 QKQXRPAIVJBUBS-UHFFFAOYSA-N 375.266 4.686 0 50 GJAA Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 1163955 VVGLSTCGAITVDQ-SANMLTNESA-N 399.490 4.619 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1 1166007 GHEQDTWIIHBERK-UHFFFAOYSA-N 386.455 4.688 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 1174546 KKYZFXRONQRVDV-UHFFFAOYSA-N 382.407 4.619 0 50 GJAA COc1cc(C)ccc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 2332330 GNUYHKXZBVLHNF-UHFFFAOYSA-N 398.267 4.626 0 50 GJAA Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 2841043 PTFSGZGFQXFRNA-UHFFFAOYSA-N 380.517 4.645 0 50 GJAA Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1C 4487577 GXNXQJXEIPHOKK-UHFFFAOYSA-N 394.496 4.943 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 11773045 ORVKNBWEGUCOOJ-JOCHJYFZSA-N 382.529 4.529 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2ccco2)cc1 12029280 MPKPDTJMTWRHFJ-JOCHJYFZSA-N 376.456 4.558 0 50 GJAA CC(=O)N(Cc1cc2ccc(C)cc2nc1-c1cccs1)C[C@@H]1CCCO1 12158310 BQDBEZCVBVDOHO-IBGZPJMESA-N 380.513 4.799 0 50 GJAA CCc1nc2cc(F)ccc2n1C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 12241386 KYKBEUSJNDBLIU-RMKNXTFCSA-N 395.453 4.754 0 50 GJAA Cc1c([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCC2)cnn1-c1ccccn1 12307453 FCJMFIYKSMRSOB-OAHLLOKOSA-N 394.906 4.528 0 50 GJAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccc2Cl)cc1C 14978537 PZMSXPXQLRHCPF-HXUWFJFHSA-N 379.891 4.950 0 50 GJAA CCc1c(C)sc(NC(=S)NCc2ccc(Cl)cc2)c1C(=O)OC 17078234 QUARIVGXWZICMJ-UHFFFAOYSA-N 382.938 4.546 0 50 GJAA O=C(c1cccc(O)c1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67973768 IQMHUKBIEDTQPK-UHFFFAOYSA-N 395.462 4.648 0 50 GJAA COc1ccccc1OC1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 95499032 PJIKZXOVURHCFA-UHFFFAOYSA-N 378.831 4.563 0 50 GJAA Cc1c(C(N)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 114851159 BBUKVPCUOHFAQN-UHFFFAOYSA-N 380.662 4.907 0 50 GJAA in-vitro Cc1ccc(CN(C)C(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)s1 299770413 SFPRIPXQOZMMFU-UHFFFAOYSA-N 375.444 4.896 0 50 GJAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ccc(-c2ccc(OC)nc2)cc1 426656981 QFCSVHHAEBMOKC-QGZVFWFLSA-N 375.472 4.593 0 50 GJAA Cc1cc(C)n(-c2ccccc2NC(=O)NCc2csc(-c3ccco3)n2)n1 478250490 KLCGEBQPIUJOFZ-UHFFFAOYSA-N 393.472 4.527 0 50 GJAA NC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)cc1Cl 756267 SPTZGDRPAGNCAJ-UHFFFAOYSA-N 399.277 4.863 0 50 GJAA CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1 1125264 HNAHFXLTNZFYJZ-UHFFFAOYSA-N 386.473 4.883 0 50 GJAA Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 1209846 AGOQHWAESVZYLF-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 1388585 KGSOKGXBIKXPSL-UHFFFAOYSA-N 390.460 4.946 0 50 GJAA CCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 2091799 DWZUJWVWRYEQSR-UHFFFAOYSA-N 392.333 4.755 0 50 GJAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccccc1C(F)(F)F 2303140 WJEWGZBHLSXMKI-UHFFFAOYSA-N 385.695 4.521 0 50 GJAA Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1 2506574 RPIVQHHCHQAMGO-UHFFFAOYSA-N 375.303 4.569 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc2C)cc1 3983357 UHRGHZYRQGYUHQ-IAGOWNOFSA-N 386.517 4.901 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585668 JEXWKEQVAZWWRC-HNNXBMFYSA-N 380.498 4.725 0 50 GJAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2oc(C)cc2C)cc1 12058643 KGFILULTHGGJBV-IBGZPJMESA-N 393.487 4.534 0 50 GJAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 12708975 CXTNGAFCSFIWBE-QHCPKHFHSA-N 398.591 4.689 0 50 GJAA CC(=O)NCC[C@H]1CCCCN1Cc1nc(-c2cccc3ccccc23)oc1C 14980211 ADHPFKVYEPEOQL-HXUWFJFHSA-N 391.515 4.684 0 50 GJAA COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 15224459 IDQRZPRKUAXDQE-GCJKJVERSA-N 390.464 4.509 0 50 GJAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 17081214 LXULDCFXHOSSLS-QWRGUYRKSA-N 397.283 4.722 0 50 GJAA Cc1cccc(-n2cc(CN(C)Cc3nc(C)c[nH]3)c(-c3cccc(F)c3)n2)c1 20781927 GCEXQOMBHMNEOF-UHFFFAOYSA-N 389.478 4.650 0 50 GJAA Cc1c(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cnn1-c1ccccn1 116698441 JQQVYSQELRNFEN-UHFFFAOYSA-N 387.443 4.606 0 50 GJAA Fc1cc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)ccc1Cl 263618839 VTIOYCQFDODGFM-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA CN(CCCOc1ccccc1Cl)C(=O)c1ccc(N2CCCCC2)cc1 952980582 XJYLLWJJJSSXBB-UHFFFAOYSA-N 386.923 4.871 0 50 GJAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)s1 668587 FCSCANHTNNHZOH-UHFFFAOYSA-N 386.270 4.994 0 50 GJAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc2c(c1)OCO2 1190920 IKTMIDMHSMXDEU-KPKJPENVSA-N 383.812 4.628 0 50 GJAA O=C(c1ccccc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 2845156 RQXPDILRDJEHIQ-UHFFFAOYSA-N 376.887 4.969 0 50 GJAA CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21 3831041 SLVMESMUVMCQIY-AKJBCIBTSA-N 386.586 4.901 0 50 GJAA biogenic,world O=C(NCCc1ccccc1)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 5773157 XFPFHTYPNNODDJ-UHFFFAOYSA-N 387.266 4.525 0 50 GJAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C2CCSCC2)C1 11841968 QSVQJYYVHTXKMX-OAHLLOKOSA-N 396.984 4.675 0 50 GJAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cccc(Cl)c2F)C3)nc1 12053329 HUDGFALDVFQJFK-OAHLLOKOSA-N 396.849 4.583 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(Cc2nccs2)C1 12074841 BWLZUMSCBIXZQL-GOSISDBHSA-N 395.503 4.800 0 50 GJAA CCCCN(C)C(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C 12511819 BAFXWFNIGZSMGY-UHFFFAOYSA-N 382.533 4.526 0 50 GJAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CC1=CCCCC1 12708966 CXTNGAFCSFIWBE-HSZRJFAPSA-N 398.591 4.689 0 50 GJAA Cc1c(CN2CC[C@@H](c3ccc4c(c3)OCO4)Sc3ccccc32)cnn1C 15004294 NWKXVVWWNCYRDP-NRFANRHFSA-N 393.512 4.701 0 50 GJAA CCOc1ccc2c(c1)CN(C(=O)Nc1cccc(COC(C)C)c1C)CC2 173867092 DHIQCARCOIVMQS-UHFFFAOYSA-N 382.504 4.909 0 50 GJAA CCC(CC)c1cc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)on1 175909047 ZJJMJQLSJKGNQU-UHFFFAOYSA-N 388.487 4.503 0 50 GJAA O=C(c1ccc(NCc2ccc(F)cc2OC(F)(F)F)cc1)N1CCCC1 225587139 CPXRNPZAYCHZOW-UHFFFAOYSA-N 382.357 4.572 0 50 GJAA Cc1cc2c(cc1C)[C@H](c1nc(-c3cccc(OCc4cccnc4)c3)no1)CO2 225630964 SYZYGVJLBKPQDU-OAQYLSRUSA-N 399.450 4.852 0 50 GJAA COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3[S@]2=O)cc1 247951197 LUHKAFLEPLFVGB-MUUNZHRXSA-N 396.439 4.869 0 50 GJAA Nc1cncc(-c2cccc(C(=O)N(Cc3ccccn3)C3CCCCC3)c2)c1 426513643 LPORKDVMBXMZKD-UHFFFAOYSA-N 386.499 4.701 0 50 GJAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC[C@@H]1c1nccs1 827939475 DCLBXLCYTDSWCJ-QGZVFWFLSA-N 375.925 4.764 0 50 GJAA Cc1sc(C(=O)N[C@H]2CCC[C@@H](C(=O)O)CC2)cc1-c1ccc(F)cc1 1875338943 QSXYRXZYFUMCEP-ZBFHGGJFSA-N 375.465 4.626 0 50 GJAA CC(C)(C)Cn1c(O)nc2c(C(=O)N3CCC[C@H](C4CCCC4)C3)cccc21 1875343876 XLMPTOLZJRKTIF-KRWDZBQOSA-N 383.536 4.830 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1 724622 MFRXJEBRRSEDDE-UHFFFAOYSA-N 391.427 4.761 0 50 GJAA CC[C@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)c1ccccc1 991669 NNTLUHREARCXAS-NRFANRHFSA-N 387.435 4.757 0 50 GJAA COc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 1212633 LZJNSESVTDKRMS-UHFFFAOYSA-N 395.640 4.740 0 50 GJAA Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)c1 1839025 HVIJIUKXODBTHF-UHFFFAOYSA-N 389.451 4.601 0 50 GJAA COc1ccc(OCCOCCOc2cc(C)c(C)cc2Br)cc1 4701993 LACKFXZRZFKRGP-UHFFFAOYSA-N 395.293 4.549 0 50 GJAA COc1ccc([S@](=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 5199931 YCDOGXDQOSZSQQ-NDEPHWFRSA-N 390.460 4.980 0 50 GJAA COc1ccc(N(Cc2cccs2)C(=O)COc2cccc(C)c2C)cc1 8586695 ULWURQYGHPVSLK-UHFFFAOYSA-N 381.497 4.986 0 50 GJAA COC[C@@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 12198579 BIWYBKXWVRSGNJ-HXUWFJFHSA-N 375.516 4.624 0 50 GJAA Cc1c([C@@H](C)NCc2ccccc2OC(F)F)cnn1-c1cccc(F)c1 12584237 QDXSOFZZDLCWRP-CYBMUJFWSA-N 375.394 4.772 0 50 GJAA CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC 18097097 JAZVZEZDLADSQO-UHFFFAOYSA-N 380.444 4.572 0 50 GJAA biogenic CO[C@H](Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1)c1cccs1 65396295 UMVDNWGNIAYMOG-GOSISDBHSA-N 380.469 4.752 0 50 GJAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc2sncc2c1 170609538 QZMMLPCQESYBHO-SFHVURJKSA-N 387.480 4.659 0 50 GJAA COc1ccc(CC(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)cc1OC 1506397269 AQJHKSJBFAUEIK-UHFFFAOYSA-N 393.487 4.504 0 50 GJAA COc1cccc2c(C)cc(N3CCC[C@H]3c3ccc(CN(C)C)cc3)nc12 1529101858 PCACVXHFSMCYEQ-NRFANRHFSA-N 375.516 4.955 0 50 GJAA Cc1csc([C@H]2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)n1 1875332139 GVGCDPXNFYDKHY-SFHVURJKSA-N 388.496 4.625 0 50 GJAA O=C(Nc1cccc(Br)c1)c1cccc(Cn2cc(Cl)cn2)c1 1002232 AUFGWIUSHDGHHK-UHFFFAOYSA-N 390.668 4.600 0 50 GJAA CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1Br 1167803 CHJNVWUQQVHNLB-LFIBNONCSA-N 386.245 4.501 0 50 GJAA O=C(Nc1ccccc1)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400129 BMZUXIWMXISGGS-UHFFFAOYSA-N 387.361 4.559 0 50 GJAA CCCC(=O)N(CCN(Cc1ccccc1)C(=O)CCC)Cc1ccccc1 4188039 WJCDSFYTXMXLBT-UHFFFAOYSA-N 380.532 4.644 0 50 GJAA C[C@H]1CCC[C@@H](C)N1CCCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 4214064 DTOKETCXTCHCDD-ZFGGDYGUSA-N 394.559 4.966 0 50 GJAA in-man COc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 4722164 NODRAQUYMLCHEQ-UHFFFAOYSA-N 377.396 4.864 0 50 GJAA Cc1ccc2occ(CC(=O)Nc3ccc(I)cc3)c2c1 4807834 VWJYTKHLLXJKIM-UHFFFAOYSA-N 391.208 4.527 0 50 GJAA CC(=O)Nc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1 4955754 GNHOPFQMFQWMHM-UHFFFAOYSA-N 396.450 4.881 0 50 GJAA COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 8370295 JBTPNYKBMJCXSP-UHFFFAOYSA-N 382.439 4.648 0 50 GJAA OCCN(Cc1ccccc1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 11819836 YJNCTTKAAHXUOH-UHFFFAOYSA-N 383.495 4.738 0 50 GJAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1 12439862 WRAIRZAPEMEMGN-UHFFFAOYSA-N 382.548 4.554 0 50 GJAA CC(C)c1nc2cc(C(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)ccc2o1 12718148 ILVMRRKOCRITHD-CQSZACIVSA-N 380.444 4.556 0 50 GJAA COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1OC 25583306 FBYIKUMEQCOBSP-HYBUGGRVSA-N 386.451 4.946 0 50 GJAA Cc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)nc(C)c2C)cn1 67641532 OCXWCLYLILLHKP-UHFFFAOYSA-N 389.381 4.615 0 50 GJAA CCOC(OCC)[C@@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 71769907 PRYSVVKVMMWGFS-INIZCTEOSA-N 379.909 4.703 0 50 GJAA O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 95398220 AVZIJOPNYHUBGV-UHFFFAOYSA-N 384.523 4.667 0 50 GJAA CN(C(=O)c1ccc2ncccc2c1)c1ccc(Br)cc1Cl 123009500 FOSCGGGESPHTHC-UHFFFAOYSA-N 375.653 4.927 0 50 GJAA Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)no1 247818121 FKZJHPIVFIBZSK-IXDOHACOSA-N 385.533 4.759 0 50 GJAA CC1=CC2(CCN(C(=O)c3ccc(CSc4ccccc4)o3)CC2)OCC1 1704298103 FRGDODLMOJFGDO-UHFFFAOYSA-N 383.513 4.913 0 50 GJAA CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21 896650 SLVMESMUVMCQIY-QMTYFTJSSA-N 386.586 4.901 0 50 GJAA biogenic,world O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 1459918 LHSXXBNPVWUOJW-KRWDZBQOSA-N 378.472 4.599 0 50 GJAA Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCC2)cc1 4894337 IJHVVBOKUPZBLC-JOCHJYFZSA-N 376.500 4.531 0 50 GJAA Cc1csc([C@@H](C)N(C)C(=O)c2csc3nc(-c4ccccc4)cn23)n1 11664365 KLOBJKOMHDZVMB-CYBMUJFWSA-N 382.514 4.661 0 50 GJAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]c3ccccc13)CCO2 12100364 QYNPBKSUNWBJRW-VWLOTQADSA-N 398.506 4.839 0 50 GJAA Cc1c([C@H](C)NC(=O)/C=C/c2ccccn2)cnn1-c1cccc2ccccc12 12197991 RWCUWTGTPDSLNE-CLVCIHKQSA-N 382.467 4.620 0 50 GJAA C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)[C@@H](O)CCC1OCCCO1 71786198 OMMSCPDCVWIERB-QOKNQOGYSA-N 384.607 4.593 0 50 GJAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(CCC(C)(C)O)cc1 72419495 SZXOQDCBGNPACG-UHFFFAOYSA-N 379.422 4.681 0 50 GJAA CCCn1ccc2cc(NC(=O)Nc3cc(N4CCOC4=O)ccc3C)ccc21 174520462 CMCRFJKYDIYYHJ-UHFFFAOYSA-N 392.459 4.960 0 50 GJAA O=C(c1cnn(Cc2ccccc2)c1)N(Cc1ccsc1)C1CCCCC1 216483477 JXDIFWSIDHJFJH-UHFFFAOYSA-N 379.529 4.968 0 50 GJAA C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCCC[C@H]1C 248625388 PETRTMUPNFJLGM-IJEWVQPXSA-N 375.563 4.522 0 50 GJAA CC(C)CC[C@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O 253536119 CTXZLVFEGVGHRL-JTQLQIEISA-N 399.716 4.911 0 50 GJAA Oc1cc([C@H]2CCCN(Cc3cccc4c3sc3ccccc34)C2)ncn1 828934913 ZXLYDOSJMRWJQY-HNNXBMFYSA-N 375.497 4.930 0 50 GJAA CC(C)Cn1ncc(C(=O)N(C(C)C)[C@@H]2CCCc3cccnc32)c1C(F)F 952845015 DUGYLXZCLJFGRB-QGZVFWFLSA-N 390.478 4.800 0 50 GJAA CSc1cc(Nc2ccc(NC(=O)CC(F)(F)F)cc2)nc(SC)n1 1307100436 RXELNBHKPDBTLN-UHFFFAOYSA-N 388.440 4.555 0 50 GJAA Cc1ccccc1COc1cccc(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)c1 1453083765 RYAHFAQMYPMYKF-UHFFFAOYSA-N 398.462 4.597 0 50 GJAA COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 645883 XHPSFJKYJWDBMO-UHFFFAOYSA-N 386.498 4.558 0 50 GJAA CC(=O)N1c2ccccc2C(=O)O[C@@H]1c1sc(Cl)c(Cl)c1Cl 986117 XDZGAVGAXYDJCA-CYBMUJFWSA-N 376.648 4.930 0 50 GJAA CCOC(=O)[C@@H](Oc1cc2oc(=O)cc(CC)c2cc1Cl)c1ccccc1 1151844 BKURDZXZIXSHNP-FQEVSTJZSA-N 386.831 4.692 0 50 GJAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 1180046 AJYNCJYINVXXLG-UHFFFAOYSA-N 381.545 4.711 0 50 GJAA C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 2884687 FFDYUZOJRQLQBG-OAHLLOKOSA-N 393.512 4.938 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc1 2994662 IIKZNGUYUKRGQL-UHFFFAOYSA-N 399.541 4.910 0 50 GJAA O=C(NCc1nc(NC2CCCC2)c2cc(Cl)ccc2n1)[C@H]1CC=CCC1 12028660 WTEHUWBFUOLUFI-AWEZNQCLSA-N 384.911 4.610 0 50 GJAA CCn1nc(C)c(CN2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)c1C 15005406 LFSJDLKVXOEQPA-UHFFFAOYSA-N 377.536 4.598 0 50 GJAA CN(CCC12CC3CC(CC(C3)C1)C2)Cc1nc(COc2ccccc2)no1 15072270 MSLUVAZQRORNRP-UHFFFAOYSA-N 381.520 4.687 0 50 GJAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccn(-c2ccccc2Cl)n1 252482699 DMEJMFUHEBHTKL-ZDUSSCGKSA-N 386.805 4.720 0 50 GJAA Cc1sc(Cl)nc1C(=O)N1CCC[C@@H]1c1cccc(Br)c1 253431050 GIBBOJDHKXGLJA-GFCCVEGCSA-N 385.714 4.845 0 50 GJAA CC(C)c1nc(C2(NC(=O)Nc3ccc(N4CC[C@H](C)C4)cc3)CCCC2)no1 888093359 VCHSJYAEAOAFHJ-INIZCTEOSA-N 397.523 4.630 0 50 GJAA Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)OCCc3sccc34)cc2c1C 1704302139 FAIVWJKNUTZTAI-UHFFFAOYSA-N 380.513 4.550 0 50 GJAA CC1=CC2(CCN(C(=O)C[C@H](Cc3ccccc3)c3ccco3)CC2)OCC1 1704344877 PUFUBHWTDRMFQS-NRFANRHFSA-N 379.500 4.724 0 50 GJAA Oc1nc(NCCc2c[nH]c3ccc(F)cc23)nc2sc3c(c12)CCCC3 1775971522 RVEKFQTZYQNEGH-UHFFFAOYSA-N 382.464 4.551 0 50 GJAA CCCCc1nc(-c2cc(Cl)n(C)n2)n(-c2ccc(C(F)(F)F)cc2)n1 1875348722 ZWDMREIACIFPJN-UHFFFAOYSA-N 383.805 4.683 0 50 GJAA Cn1c(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cnc1-c1ccccc1 2100543815 YZJVYXBFDWRAPF-HXUWFJFHSA-N 377.463 4.984 0 50 GJAA CCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C(=O)OC 671365 BQFZTGQOJLXRBF-UHFFFAOYSA-N 384.457 4.621 0 50 GJAA O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1 1099264 KCMZXFSMDWJEGA-UHFFFAOYSA-N 395.212 4.872 0 50 GJAA aggregator CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 1225944 YKHIQTJPFXHGRX-YCIYHOANSA-N 399.877 4.911 0 50 GJAA biogenic Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccncc2)cc1 2335843 WXDPLPVXMJZZRR-UHFFFAOYSA-N 398.495 4.806 0 50 GJAA CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O 3661950 JQHMWRYJVQUSLG-UHFFFAOYSA-N 385.375 4.563 0 50 GJAA COc1ccc(CNCC[C@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 4006315 BWDBVIZIEPZRRP-TYBLODHISA-N 380.576 4.764 0 50 GJAA O=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(C(F)(F)F)c1 4091996 QJUJDVGQYAVMNR-VMPITWQZSA-N 385.385 4.877 0 50 GJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)OC2=O 4185286 HLUUFFCBFRTJKO-YADHBBJMSA-N 381.497 4.898 0 50 GJAA CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 8555405 IGZVPNAJLMAGND-GIQLZXEWSA-N 391.305 4.800 0 50 GJAA CC(=O)c1cccc(CN(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)c1 11707111 MUQCUIXGWFWQEJ-QHCPKHFHSA-N 378.560 4.584 0 50 GJAA CN(CCC1CCOCC1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12198823 LGAYIYWLQUGZGL-UHFFFAOYSA-N 375.516 4.992 0 50 GJAA O=C(c1ccc(OC2CCN(C3CCCCCC3)CC2)cc1)N1CCCCC1 12746746 OIOVZCQALZBDBR-UHFFFAOYSA-N 384.564 4.879 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 19720603 KEVSWURNADSSLP-UHFFFAOYSA-N 395.934 4.547 0 50 GJAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Cl)c(Cl)c1 44902289 FQQOSSHNGHHFEY-INIZCTEOSA-N 376.243 4.974 0 50 GJAA COCCCN1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccs2)C1 65419069 LXYRHUITAMCSTO-GOSISDBHSA-N 381.545 4.637 0 50 GJAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3cc4c(Cl)cccc4[nH]3)C2)c1 95356660 UJKPNUOKPYKTJF-OAHLLOKOSA-N 382.847 4.539 0 50 GJAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N(Cc1ccncc1)C1CCCCC1 95362141 JSRLXUUPGUXWHY-JOCHJYFZSA-N 377.532 4.524 0 50 GJAA COc1ccc(Cl)c2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c12 136409828 YHQYGLAGBBRZAZ-PEBXRYMYSA-N 388.939 4.899 0 50 GJAA O=C(O)c1ccccc1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 241173027 KFKITPZTVGSAIS-UHFFFAOYSA-N 375.815 5.392 0 50 GJAA C[C@@H](Sc1nnc(C2CC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 298821425 WTANRRAQGAYLMU-CQSZACIVSA-N 378.501 4.798 0 50 GJAA Cn1c(-c2ccc(Cl)c(Cl)c2)cn(CC(=O)c2cccc(Cl)c2)c1=N 334157549 KKUMGDAQKQROHE-UHFFFAOYSA-N 394.689 4.816 0 50 GJAA Cc1ccc(-n2c(SCC(=O)Nc3ccccc3O)nc3ccccc32)cc1 1875354723 NAMRDDRLSGZIRL-UHFFFAOYSA-N 389.480 4.770 0 50 GJAA CCc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 693010 ISZJCJLXAFORTL-UHFFFAOYSA-N 399.450 4.984 0 50 GJAA COc1ccc(-c2cc(=O)c3cc(OC(=O)c4cccc(C)c4)ccc3o2)cc1 955668 PHPTWJRFWGAQAC-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 1173952 WTRZHLXIUQRAGJ-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 1178571 OEQZZWJHAJEXHQ-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C(F)(F)F)ccc1Cl 1203424 UDWOHQIHMWFSIV-OAHLLOKOSA-N 387.741 4.657 0 50 GJAA Cc1cc(NC(=O)COc2ccc(F)cc2)n(Cc2cccc3ccccc23)n1 1429804 UBQCULWYKIVNBZ-UHFFFAOYSA-N 389.430 4.550 0 50 GJAA CN1CCN(c2ncnc3scc(-c4ccc(-c5ccccc5)cc4)c23)CC1 4183549 MOJNRBHCXKRPHJ-UHFFFAOYSA-N 386.524 4.777 0 50 GJAA COc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 4843477 ZDWHNVYJAYCFLB-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA CC[C@H](C)NC1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 11784154 MIKOKCDDOWQULK-IBGZPJMESA-N 379.548 4.913 0 50 GJAA COc1ccc2cc([C@@H](C)NC(=O)c3cn(C4CCCCCC4)nn3)ccc2c1 12373172 MJVCGTNSXXVGSG-MRXNPFEDSA-N 392.503 4.826 0 50 GJAA Cc1ccccc1Cn1nc(C)c(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 13331493 IIOSZQJXWMFDAN-UHFFFAOYSA-N 392.547 4.947 0 50 GJAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 14256729 ZYJUHLKYNIOCGU-OAHLLOKOSA-N 375.490 4.566 0 50 GJAA CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(F)cc2)c(C)n1 15067895 WYIPMPLDGMPGCH-XMMPIXPASA-N 388.490 4.980 0 50 GJAA CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1csc(C)c1 17078988 LFQLYYWCBHWYFX-UHFFFAOYSA-N 386.546 4.683 0 50 GJAA CN1CCC(NCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 19220828 AHKZDXNHYSMTBE-UHFFFAOYSA-N 398.913 4.516 0 50 GJAA Fc1cccc(Cl)c1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 19836797 ZXUVVYHMGGODJH-NRFANRHFSA-N 380.854 4.831 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20600032 WNXFDQOFFSCOFB-HNNXBMFYSA-N 387.405 4.677 0 50 GJAA Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1 98023188 VUIRVWPJNKZOSS-UHFFFAOYSA-N 384.487 4.768 0 50 GJAA in-vitro CC1(C)CCC[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226945836 IIEBWIODSAFCFC-HSZRJFAPSA-N 379.456 4.559 0 50 GJAA COCc1cc(Cl)ccc1NC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 425745089 CSIKIDZJSHJNLY-UHFFFAOYSA-N 386.879 4.574 0 50 GJAA Cc1c(CN2CCC[C@H]2c2nc(-c3ccncc3)no2)[nH]c2ccc(Cl)cc12 1506418497 IGIHQMAZYBBGFO-IBGZPJMESA-N 393.878 4.912 0 50 GJAA O=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1cccc(F)c1)c1ccccn1 1857798362 AGNKXEPVKUGJNF-UHFFFAOYSA-N 391.377 4.862 0 50 GJAA c1cncc(-c2noc(-c3cc(-c4cccs4)nc4onc(C5CC5)c34)n2)c1 2325725958 VEOIRRNMABLAET-UHFFFAOYSA-N 387.424 4.941 0 50 GJAA CCCOc1c(Cl)cc(/C=C/C(=O)OCc2cncs2)cc1OCC 2325735864 ZHLWYHJDSKWLFC-AATRIKPKSA-N 381.881 4.741 0 50 GJAA C[C@H](Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 756616 MGUUAVWDTAKJAE-QGZVFWFLSA-N 376.466 4.891 0 50 GJAA CC(C)(C)c1ccc(OC[C@H](O)CNc2ccc(Br)cc2)cc1 1059969 GTNDEBJWPUSYOK-QGZVFWFLSA-N 378.310 4.598 0 50 GJAA COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 1151074 BPLSLHASYWMLFJ-QPJJXVBHSA-N 382.243 4.671 0 50 GJAA CCOCCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1771505 CHRPKQBVGIEYTH-UHFFFAOYSA-N 389.451 4.799 0 50 GJAA COc1ccccc1-c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 2180679 XSZKTLSOWGKXOZ-UHFFFAOYSA-N 377.256 4.835 0 50 GJAA CC(C)COC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 4105389 JASGBQKYIHNNOX-CQSZACIVSA-N 377.843 4.714 0 50 GJAA CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1N1CCCCC1 5247588 OHTUFZUJHBCBEB-BUHFOSPRSA-N 390.420 4.727 0 50 GJAA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 5930564 NRHSLASWKBQKOJ-RBBKRZOGSA-N 391.858 4.986 0 50 GJAA COc1cccc([C@H]2CCCCN2Cc2nc(Cc3ccccc3F)no2)c1 11878526 NBLDVIBHMOQNKB-HXUWFJFHSA-N 381.451 4.535 0 50 GJAA Cc1nc2cc(OCc3cc(C(=O)N4CCCCCCC4)no3)ccc2s1 14965395 GYFOUTBMCQHCEN-UHFFFAOYSA-N 385.489 4.578 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC([C@@H](O)CC(C)C)CC1 19595149 IVSVMPCMGVGLKP-FQEVSTJZSA-N 376.928 4.922 0 50 GJAA CCc1cccc(NC(=O)c2ccc([C@@H]3CCCN3Cc3cc(C)n[nH]3)s2)c1 23580941 FPEKULFNRYIFRD-IBGZPJMESA-N 394.544 4.931 0 50 GJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 33086818 HKXKWIHSLOAYKP-INIZCTEOSA-N 385.851 4.831 0 50 GJAA CN(Cc1ccccc1)Cc1cccc(-c2nc(O)cc(-c3ccncc3)n2)c1 48436058 NRYRZAJMODRJPY-UHFFFAOYSA-N 382.467 4.543 0 50 GJAA Cc1cc(C)cc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1 67804321 YRAKSZIMHFGKNV-UHFFFAOYSA-N 376.504 4.505 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3CCOCC3)cc(Cl)cc12 71763427 FJBVVKOUIOQLHU-UHFFFAOYSA-N 382.891 4.840 0 50 GJAA Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n1 72116013 LJAZSMVPTCDBSP-UHFFFAOYSA-N 398.417 4.517 0 50 GJAA Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)ccc12 95515429 ZMJVPDSZEMEZBF-QGZVFWFLSA-N 381.432 4.582 0 50 GJAA CCn1c(S[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cnccn1 124365922 LFGMWQKHTHQTIA-JTQLQIEISA-N 380.304 4.915 0 50 GJAA O=C(Nc1cc(-c2ccccc2)ns1)c1c(F)ccc(OC(F)F)c1F 152094508 BXVRHQFWKIVNRP-UHFFFAOYSA-N 382.338 4.942 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 194342123 BXRHOQQNRGIOHN-GOSISDBHSA-N 389.377 4.792 0 50 GJAA C[C@@H]1CN(c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2F)C[C@@H](C)O1 850450169 DPQSUQGKLIMIJS-MGPQQGTHSA-N 379.426 4.945 0 50 GJAA O=C(NC12CCC(F)(CC1)CC2)c1cc(-c2ccco2)nc2onc(C3CC3)c12 1875258677 OSZUSEQUAXCTAE-UHFFFAOYSA-N 395.434 4.905 0 50 GJAA Cc1ccc([C@@H](C)NC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)cc1C 1875335623 ZPQVTWSVUSYIIZ-MRXNPFEDSA-N 383.561 4.899 0 50 GJAA Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)oc2c1 1184337 PBCMVTYHUMNNRX-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 11839872 HRSMNNWEZIOGMD-SFHVURJKSA-N 375.424 4.807 0 50 GJAA CCc1nc2cc(F)ccc2n1C1CCN(Cc2ccc(OC)c(OC)c2)CC1 11911866 QHXRGISYBXJIGM-UHFFFAOYSA-N 397.494 4.592 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3ccno3)c(-c3ccc(F)cc3)n2)cc1 12315484 DIZAMCBMUFNNHU-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccn1)C[C@@H]1CCCO1 55228617 MBHKUPBQPLGWAN-SFHVURJKSA-N 397.906 4.880 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2ccc(F)cc2)CCO3)s1 71315165 QPDDTWMDXPLIHL-UHFFFAOYSA-N 383.444 4.603 0 50 GJAA Cc1nc(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cs1 71777209 QGJGPZBBRYRFIU-CQSZACIVSA-N 382.451 4.955 0 50 GJAA O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCC(OCC2CCCC2)CC1 190159917 FYTOOJCTYBHKTP-UHFFFAOYSA-N 393.940 4.603 0 50 GJAA Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 263619631 ZRPZENBEGPPMHP-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA Cc1ccsc1[C@@H]1Cc2c(C(=O)O)c(=O)cc(C)n2-c2ccccc2S1 299798257 QUJRZOFPLKQYRC-KRWDZBQOSA-N 383.494 4.604 0 50 GJAA C=CC(=O)Nc1cc(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)ccc1F 758285801 GFCGSURBLXQJSJ-UHFFFAOYSA-N 396.462 4.867 0 50 GJAA FC(F)(F)Cc1cccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1 1857732524 UZXVBUNDDYRRPJ-KRWDZBQOSA-N 380.410 4.556 0 50 GJAA COC(=O)c1ccc2nc(N3C[C@H](C)CC[C@H]3c3ccccc3OC)oc2c1 1875306837 DGXPJZXEBLGGBS-KDOFPFPSSA-N 380.444 4.601 0 50 GJAA Cc1nc(COc2cccc(/C=C/C(=O)O[C@H](C)Cc3cccnc3)c2)cs1 2325725148 XMCAOPAYBMTZBO-ROJDOSBLSA-N 394.496 4.613 0 50 GJAA CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1C(=O)OC 1200539 JXEITQZCDJLCPU-NSHDSACASA-N 395.908 4.773 0 50 GJAA COC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 12058582 JMDJFXSLFCGUSQ-UHFFFAOYSA-N 379.479 4.598 0 50 GJAA O=C(c1ccccc1F)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 12149653 RVXNRAWCEYRLBO-FQEVSTJZSA-N 383.463 4.578 0 50 GJAA Cc1cc2c(=O)n(-c3ccn(C45CC6CC(CC(C6)C4)C5)n3)c(=S)[nH]c2s1 17081580 SPUNFGZFTBHOHJ-UHFFFAOYSA-N 398.557 4.540 0 50 GJAA Cc1nc(CCNC(=O)C[C@H](c2ccccc2)c2ccc(F)cc2)sc1C 55393344 PZBXCCYPOISITO-HXUWFJFHSA-N 382.504 4.780 0 50 GJAA Cc1cccc(-c2c(-c3ccccc3)ncn2[C@H](C(=O)N(C)C)c2ccccc2)n1 65508236 SLGNTMODIBDERO-QHCPKHFHSA-N 396.494 4.598 0 50 GJAA Cc1ccc(-c2cn3c(C(=O)N(Cc4ccccn4)C4CC4)csc3n2)cc1 67982629 YODNHIKTPISBGX-UHFFFAOYSA-N 388.496 4.571 0 50 GJAA Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1 169754592 YJBXZDULPVIKLV-KRWDZBQOSA-N 385.826 4.815 0 50 GJAA Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 170626589 AMBZVKZNAVCDQL-UHFFFAOYSA-N 384.480 4.750 0 50 GJAA CC[C@H](C)N(Cc1ccncc1)C(=O)c1cccc(-c2ncccc2OC)c1 426428762 KGNSGISVSPKEBO-KRWDZBQOSA-N 375.472 4.593 0 50 GJAA Cn1ccnc1-c1ccccc1C(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C 1529120578 DIWSUJXVPSDIIW-UHFFFAOYSA-N 399.498 4.958 0 50 GJAA CSc1ccc2nc(N3CCC[C@]4(CCc5cnc(C)nc54)C3)cc(C)c2c1 1704312265 NXBJFQOCXCIPSQ-QHCPKHFHSA-N 390.556 4.848 0 50 GJAA CC(C)CCCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704336251 IASUGJRSIHDTOJ-DEOSSOPVSA-N 377.532 4.776 0 50 GJAA CC(C)(C)c1ccc2c(NC(=O)c3ccc(Cl)cc3)c(C(N)=O)sc2n1 1875388255 STDGYXVBRGWLKZ-UHFFFAOYSA-N 387.892 4.598 0 50 GJAA Cc1cccc(CCNC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1 2325703704 XCWSLKKKNZVFNC-CSKARUKUSA-N 376.431 4.694 0 50 GJAA Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 681058 ZITPOGHXWLZOAG-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(OC)cc1Cl 1121338 UGHYMFQYPBMSFQ-UHFFFAOYSA-N 384.259 4.807 0 50 GJAA CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1OC 1151721 HKUIMJGRJIWOKA-GOSISDBHSA-N 395.484 4.538 0 50 GJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 1218618 PWIGSLKLZDUOPX-IRXDYDNUSA-N 380.469 4.793 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](CC)Nc1ccc(Br)cc1-2 2113842 QMUWQOVZDUNUJD-CYBMUJFWSA-N 395.326 4.734 0 50 GJAA COc1ccccc1[C@H](CCN(Cc1ccc(F)cc1)C(C)=O)c1ccco1 2334428 LBPWZNIWYSIBRM-NRFANRHFSA-N 381.447 4.998 0 50 GJAA CCn1nc(C)c(NC(=O)c2ccccc2COc2ccc(F)cc2F)c1C 2787888 ANOJQWISSLRVTK-UHFFFAOYSA-N 385.414 4.629 0 50 GJAA CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 2835445 ILEZDTUELKMXOR-UHFFFAOYSA-N 384.907 4.702 0 50 GJAA Cc1cc(C(F)(F)F)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 4881466 SPOPUCOWJBASIR-UHFFFAOYSA-N 378.301 4.737 0 50 GJAA COc1cc(SC)ccc1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 6659429 GKZIRVDODAFWED-UHFFFAOYSA-N 381.501 4.979 0 50 GJAA CCCOc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389356 JCSCXWHXPALUGB-UHFFFAOYSA-N 387.439 4.609 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)C2CCCC2)C1 12387116 SVCMJPBAHRVYKE-FQEVSTJZSA-N 394.490 4.860 0 50 GJAA C/C=C(\C)CN1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 12455180 YBVWKPCDQGUYFS-OMCISZLKSA-N 383.488 4.540 0 50 GJAA CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 17080516 NVROMTXGQFXMSQ-UHFFFAOYSA-N 394.302 4.746 0 50 GJAA Cc1ccc(-c2nnc(SC[C@H]3CCN(C(=O)OC(C)(C)C)C3)o2)c(C)c1 170640027 KYAPTZLQJZSKRA-HNNXBMFYSA-N 389.521 4.703 0 50 GJAA Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)c1 179913480 JHDWONKUVYELAB-OAQYLSRUSA-N 392.499 4.792 0 50 GJAA O=C(c1csc(Cl)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 189516565 VBNKMRGRLFBVTM-MRVPVSSYSA-N 380.844 4.897 0 50 GJAA CCCC[Sn](CCCC)(CCCC)COC[C@@H](C)N 230833243 HWVHQCDLUIMLHX-KWRROICRSA-N 378.189 4.739 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 248210328 CVNYHSDFZXHMMJ-JMPPTAHISA-N 390.564 4.686 0 50 GJAA CCCCc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CCNC4)C3)cc2)cc1 426412757 KKTJVJIGAFMTMV-RUZDIDTESA-N 376.544 4.912 0 50 GJAA C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1c[nH]nc1-c1nccs1 446383337 UENXNIJALSBRCW-JTQLQIEISA-N 395.410 4.777 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 660478 IPFLZRAAASABOC-UHFFFAOYSA-N 398.422 4.736 0 50 GJAA CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848716 BEJWZWWMCRMQNA-SNVBAGLBSA-N 396.800 4.597 0 50 GJAA CCOc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1O 1152044 DREJBWRWPMIOLB-CYBMUJFWSA-N 390.277 4.644 0 50 GJAA CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)sc2c1 1177338 SQJSQZDYJRBMTB-UHFFFAOYSA-N 380.441 4.704 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 2052331 SYXAPMGVSVIODT-UHFFFAOYSA-N 399.560 4.839 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(COc2ccc(Cl)cc2)c1 2759751 CRIODYJPKFVOHJ-UHFFFAOYSA-N 395.842 4.943 0 50 GJAA CC(C)CC(=O)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 4744167 GKPWMSDQYVEAHU-UHFFFAOYSA-N 378.560 4.768 0 50 GJAA Cc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3Cl)[nH]n2)cc1 4993056 SHEHTRFKSFQFJU-UHFFFAOYSA-N 376.243 4.709 0 50 GJAA Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)cc(-n2ccnc2)n1 72140000 LPSKIUUBBJHBNQ-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA Cc1cc(C)cc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c1 169755779 XHHVJZRKUVKXLL-CQSZACIVSA-N 385.826 4.666 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 225066039 HJUOFSFECFEKPA-UHFFFAOYSA-N 376.456 4.722 0 50 GJAA C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCc2cccc3[nH]ccc23)c1 299759829 NQELYHQRXJOTNP-QGZVFWFLSA-N 376.504 4.864 0 50 GJAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 426633849 IEGDHWQJWFHQBJ-FQEVSTJZSA-N 377.488 4.651 0 50 GJAA O[C@H]1CN(Cc2ccc(C3CCCC3)s2)C[C@@H]1Cc1ccc2ccccc2n1 1616063966 LPQDNJWIRYYNLZ-CVDCTZTESA-N 392.568 4.989 0 50 GJAA CC(C)(Cc1c[nH]c2ccc(Br)cc12)NCc1ccc2n[nH]cc2c1 2325840366 ZCQPZJHUQLYZHO-UHFFFAOYSA-N 397.320 4.918 0 50 GJAA CSc1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 757904 ICPJRFZRDLJRQR-UHFFFAOYSA-N 392.362 4.655 0 50 GJAA Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)/C=C/c2ccc(C)o2)o1 1113168 HVABPSZETGVCBO-PHEQNACWSA-N 376.412 4.793 0 50 GJAA COc1cccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)c1 1118836 GVTRANRTWOQOST-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(Cl)(Cl)Cl 1128217 YDNQWVQHOZJNLQ-UHFFFAOYSA-N 377.054 4.880 0 50 GJAA COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 1128514 LAZVHAOWTQPBAK-DLBZAZTESA-N 375.259 4.740 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 2830792 MFQCQKOKMZSXLP-UHFFFAOYSA-N 389.908 4.596 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc2C)cc1 3983359 UHRGHZYRQGYUHQ-SJORKVTESA-N 386.517 4.901 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccs2)cc1 4487811 XEWUPYWEZGCBTI-UHFFFAOYSA-N 386.860 4.671 0 50 GJAA COc1ccc(/C=C/c2nn3c(-c4ccccc4Cl)nnc3s2)cc1OC 4839721 FTMAOQOUXAKUMM-CSKARUKUSA-N 398.875 4.694 0 50 GJAA COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 5018764 HJAORAGSGARQSV-GZTJUZNOSA-N 386.498 4.523 0 50 GJAA O=C(Nc1ccccc1)N[C@H](COC(=O)Nc1ccccc1)c1ccccc1 5684621 LXAVDPKDXQFTOC-HXUWFJFHSA-N 375.428 4.798 0 50 GJAA Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 6732346 SXBKMBINTQDFTQ-UHFFFAOYSA-N 397.500 4.811 0 50 GJAA Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC(Cc4ccc(F)cc4)=NO3)cc2)o1 11788323 KJOLPSOORHZXTE-OAQYLSRUSA-N 392.430 4.512 0 50 GJAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCCCC1 11879061 MHTPZNSLDRRDKM-IBGZPJMESA-N 376.972 4.633 0 50 GJAA CCn1ccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 12307273 XLBUQQXYYIGMPT-FQEVSTJZSA-N 381.907 4.737 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 12385199 OABYTIQETUETKC-ZWKOTPCHSA-N 378.859 4.683 0 50 GJAA COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1OC 12437019 MGNCWMZKPRYJJK-YKSBVNFPSA-N 386.451 4.946 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 12581152 ILSIJFJYPWRPBW-HXUWFJFHSA-N 389.543 4.503 0 50 GJAA O=C(Nc1cccc2c1CCC2)c1ccc([C@@H]2CCCN2C(=O)C2CC2)s1 19812572 WXOGTUNVVBZFMD-SFHVURJKSA-N 380.513 4.563 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)n1 64801257 ADUFQZLYLWXKBX-UHFFFAOYSA-N 376.464 4.913 0 50 GJAA COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN1CCC[C@H](CO)C1 72433514 VXFVSYZOKZXGSB-INIZCTEOSA-N 396.918 4.768 0 50 GJAA Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 72474968 SMMLKKAHBWQMTP-QHCPKHFHSA-N 395.543 4.520 0 50 GJAA O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cccc(Cl)c1Cl 114646133 IQORJMXSWADRDJ-UHFFFAOYSA-N 396.661 4.669 0 50 GJAA Cc1ccc(C)c(-n2ncc(NC(=O)c3ccccc3Br)c2C)c1 151841251 CPGAGSPLUVMCPY-UHFFFAOYSA-N 384.277 4.812 0 50 GJAA Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2S(=O)(=O)c2ccccc2)cc1 252497274 QCUNOVHPMGGZNB-QFIPXVFZSA-N 394.471 4.674 0 50 GJAA CCCOc1c(Cl)cc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1OCC 486901510 PPYUJMLHZHKJEZ-AZUAARDMSA-N 390.911 4.542 0 50 GJAA CC1CCN(c2ccc(C(=O)NCc3cn(C(F)F)c4ccccc34)cn2)CC1 1438258715 YETARMMYWFPZTO-UHFFFAOYSA-N 398.457 4.598 0 50 GJAA CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 1776003710 FLEBKLVKNFFUBY-JDYUOLIGSA-N 380.875 4.794 0 50 GJAA Cc1c([C@@H](C)NCc2ccc(-c3cc[nH]n3)o2)cnn1-c1ccc(Cl)cc1 1875264057 QRXWQABOBZEHFG-CYBMUJFWSA-N 381.867 4.668 0 50 GJAA COc1ccc(CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 674222 MKMYSENFQGJGPQ-QFIPXVFZSA-N 377.509 4.888 0 50 GJAA biogenic Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 1079846 WYCBTIGQRYXOCX-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 2151572 NENBDFQKXWUNCK-UHFFFAOYSA-N 386.831 4.659 0 50 GJAA biogenic CCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)cc1)Nc1ccccc1-2 2187939 UDPHARPPLOEEPT-LJQANCHMSA-N 394.500 4.943 0 50 GJAA CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 2842030 NHHIWLCZZPKCEN-KRWDZBQOSA-N 380.488 4.590 0 50 GJAA COc1cc(C=O)ccc1OCCCOc1ccc(Br)cc1Cl 2984240 LBCGCCIPBMDEKF-UHFFFAOYSA-N 399.668 4.772 0 50 GJAA Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1Cl 8619092 WRNMIDHDYYFAFR-OAQYLSRUSA-N 390.870 4.984 0 50 GJAA CN(Cc1ccccc1)C(=O)CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 12584461 PGSJJHMTACMWNC-UHFFFAOYSA-N 389.543 4.819 0 50 GJAA CSCCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 12754385 HYXQRRXIJWSXAY-SFHVURJKSA-N 383.513 4.653 0 50 GJAA c1ccc(-c2ncn(C[C@@H]3CCCO3)c2-c2cccc(Cn3cccn3)c2)cc1 65409480 KFVWTYASZCLGNN-QFIPXVFZSA-N 384.483 4.641 0 50 GJAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1CC1(Cn2cccn2)CC1 65463232 LZJRSVMHIKSXJS-UHFFFAOYSA-N 386.503 4.501 0 50 GJAA COc1ccc(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)cc1OC 102053552 JXXQJIMCNVSOLQ-DQMAVYJBSA-N 382.504 4.678 0 50 GJAA C[C@@]1(C(=O)O)CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 135550204 CCLBVWVASLVDGH-NFBKMPQASA-N 379.456 4.559 0 50 GJAA Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1ccccc1Cl 177722619 RIXCBOPZVOEDBQ-MRXNPFEDSA-N 397.866 4.689 0 50 GJAA CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(-c2cnc[nH]2)cc1 1303929071 HNZOOOUDHVGTIL-INIZCTEOSA-N 399.416 4.902 0 50 GJAA CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)CCC2 1435771177 UTIKQLPLMOUHEW-HSZRJFAPSA-N 387.527 4.942 0 50 GJAA Cc1ccc(NC(C)(C)C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)cc1 1506397214 JJKFJNQJYMSPQX-QFIPXVFZSA-N 379.548 4.529 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)cc1 1506431295 HIABFDJCGWDBMH-HSZRJFAPSA-N 392.522 4.800 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2ccccc2)C1 970525 VRGXSGOVPDSXOJ-CYBMUJFWSA-N 380.469 4.971 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccccc1 1108465 FBUDTOPLYIAHIB-HNNXBMFYSA-N 395.480 4.998 0 50 GJAA Cc1cc(C(=O)OC(C)C)c(NC(=O)Cc2ccc(Br)cc2)s1 1114379 ZUDYPXRINYLDNZ-UHFFFAOYSA-N 396.306 4.565 0 50 GJAA O=C1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)c3cccc1c23 1207339 IXSXERBFYRJOBY-UHFFFAOYSA-N 393.251 4.513 0 50 GJAA O=C(Nc1ccccc1I)c1ccc2c3c(cccc13)CC2 2861608 NWNRCVHXWRFFJS-UHFFFAOYSA-N 399.231 4.795 0 50 GJAA O=C1c2ccccc2C(=O)N1CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 3877674 OLKIRXUQSYOXAK-UHFFFAOYSA-N 386.495 4.820 0 50 GJAA Cc1cc(OCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc(C)c1Cl 10155661 IJOCXOGFSCTHNB-INIZCTEOSA-N 389.879 4.532 0 50 GJAA O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCN(C2CCCC2)CC1 12300070 ODMGXFKBZWELFQ-UHFFFAOYSA-N 395.547 4.966 0 50 GJAA c1ccc(-n2cc(CN3C[C@@H]4CCC[C@H]3C4)c(-c3ccc4c(c3)OCO4)n2)cc1 12597665 XOBQNVKPJZTOTF-UTKZUKDTSA-N 387.483 4.642 0 50 GJAA Cc1ccc2nccc(C(=O)N3CCC[C@@H](Nc4ccc(F)c(F)c4)C3)c2c1 14970884 IUKBQGIALVJWFH-MRXNPFEDSA-N 381.426 4.538 0 50 GJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2=O)cc1 15065353 YWFOBYPXCBXNGQ-HSZRJFAPSA-N 396.556 4.526 0 50 GJAA CCN1CCC(N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)CC1 15069782 ARUBPFUTFQHAML-VWLOTQADSA-N 383.624 4.582 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3ccc(C)c(C)c3n2)cn1 63848855 VYYSUZYNXHHIMQ-UHFFFAOYSA-N 376.504 4.607 0 50 GJAA Cc1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)c2c(C)noc2n1 169774018 ASZHZKWIHHRJTM-MRXNPFEDSA-N 394.862 4.782 0 50 GJAA Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(-c4cc(O)nc(C)n4)cc3)oc2c1 238901302 LFMNDSQVHXPPNR-UHFFFAOYSA-N 387.439 5.081 0 50 GJAA COc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@@H]1CCCO1 253427273 DVFQKHVJQUZDNR-SFHVURJKSA-N 377.440 4.659 0 50 GJAA COc1ccc(C2(NC(=O)c3cc4cc(Br)cc(C)c4[nH]3)CC2)cc1 1875310972 IDENOTJUVYFGSB-UHFFFAOYSA-N 399.288 4.667 0 50 GJAA Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)cc1 1182374 POYSPKBDRLZYEA-UHFFFAOYSA-N 378.435 4.547 0 50 GJAA CCOC(=O)[C@@H](Cc1cccc(C(F)(F)F)c1)Sc1nc2ccccc2[nH]1 1183672 FWBGFFRDECQNAW-MRXNPFEDSA-N 394.418 4.848 0 50 GJAA CCOc1ccc([C@@H](NC(=O)c2ccccc2OC)c2ccc(OC)cc2)cc1 1211455 QMCHWRKKSOPMIA-QHCPKHFHSA-N 391.467 4.622 0 50 GJAA C[C@@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CO)cc3)cc2F)cc1 1405412 MJYBOLOAOGAXNB-SJORKVTESA-N 396.458 4.679 0 50 GJAA CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 2762320 CIINLKLLCWRGCQ-UHFFFAOYSA-N 379.456 4.732 0 50 GJAA COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 2843108 AGMVEWYAVGTVSV-DLBZAZTESA-N 375.259 4.740 0 50 GJAA Fc1ccccc1CN1CCC[C@]2(CCN(Cc3cccc4cccnc34)C2)C1 11661813 YFPSQVCABJOEKJ-VWLOTQADSA-N 389.518 4.862 0 50 GJAA C[C@H](NC(=O)c1cn(Cc2cccc(Cl)c2)nn1)c1cccc2ccccc12 12004395 BSASLZDBSBDQHL-HNNXBMFYSA-N 390.874 4.624 0 50 GJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C2Cc3ccccc3C2)CC1 12076399 LRHCSHLAYIIHSV-UHFFFAOYSA-N 386.495 4.765 0 50 GJAA COCc1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1OC 12718689 XDKSISNSWMGLSK-SFHVURJKSA-N 387.907 4.590 0 50 GJAA O=C(CC[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1)NC1CC1 14966600 KVAYZWYYKXQVQH-FQEVSTJZSA-N 376.544 4.589 0 50 GJAA Cc1ccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)c(C)c1 20617295 HREWOCLEQWONHE-SFHVURJKSA-N 390.487 4.569 0 50 GJAA O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(F)(F)F 64858076 YKIRCSCMMMEEDI-YKUSVCGRSA-N 390.442 4.701 0 50 GJAA in-vitro Cc1ccc2nc(Cn3cnc(-c4ccccc4)c3-c3ccc(CO)o3)[nH]c2c1 67540849 ISERBCGNZDUDOV-UHFFFAOYSA-N 384.439 4.535 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@@H]4C[C@@H]4c4cccc(F)c4)CC3)oc12 170602646 INDROQYSDGIJCZ-RTBURBONSA-N 378.447 4.785 0 50 GJAA Cc1cccc(Oc2ncccc2NC(=O)N2CCC3(CCOCC3)C2)c1C 170643965 QTPSKWSJOORFBM-UHFFFAOYSA-N 381.476 4.525 0 50 GJAA CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(=O)CC)CC[C@H]12 239121287 JQIYNMYZKRGDFK-NQZVWWGESA-N 384.516 5.180 0 50 GJAA biogenic Cc1cnc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)s1 951727013 ULDYMEMIPUZQND-UHFFFAOYSA-N 399.419 4.655 0 50 GJAA COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1nc(C)cn1C 1875333880 OQLZSWCNUWOBEA-UHFFFAOYSA-N 390.512 4.882 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)OCc1ccc(Cl)nc1 2325729639 DFRCOCUTRBJTQJ-VMPITWQZSA-N 384.794 4.818 0 50 GJAA CN(C1CC(c2ccc(Cl)s2)C1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 2325828350 FDBSPQNKSSKTGK-ZVYVSMAVSA-N 392.927 4.738 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)Nc1ccccc1 675227 IAQYHGMZQYVUDS-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA Cn1c(SCc2nc3ccccc3c(=O)n2-c2ccccc2)nc2ccccc21 759045 JIBZQIJJVZDQRU-UHFFFAOYSA-N 398.491 4.565 0 50 GJAA CCCC(=O)N[C@H](c1ccc(OC)cc1)c1c(OC(C)=O)ccc2ccccc12 855816 QYBCNDKBYAUUBM-XMMPIXPASA-N 391.467 4.779 0 50 GJAA CCOc1cccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)c1 1187875 OMXKCYFBTUHVOZ-UHFFFAOYSA-N 390.468 4.713 0 50 GJAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCCC4)c3C)C2)cc1 1461195 IGBYVVRXPCOFFV-MRXNPFEDSA-N 381.472 4.734 0 50 GJAA O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)c1ccccc1 2860833 MGYKEGCCAYHPLV-UHFFFAOYSA-N 392.524 4.952 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC(C)(C)C)C3)s1 12279989 HKBUSQOXVDLMEG-OAHLLOKOSA-N 389.492 4.613 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(CCCn2cccn2)C1 14961525 LADTWMZCPNUIHS-NRFANRHFSA-N 389.499 4.660 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccccc1 15062193 LAMXZWNFHKLHNE-HSZRJFAPSA-N 387.483 4.867 0 50 GJAA Cc1csc([C@@H](C)N(C)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)n1 42442420 TXGAHFSQTLWBOF-CRAIPNDOSA-N 391.968 4.679 0 50 GJAA CCc1nc(C)cc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 67868451 MISXVSKRJVJNKS-UHFFFAOYSA-N 395.890 4.772 0 50 GJAA CCc1ncc(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 71738758 LZBGSSHFISJCSU-MRXNPFEDSA-N 391.437 4.543 0 50 GJAA O=C(c1n[nH]c2c1CCCC2)N1CCCC(c2ccccc2)(c2ccccc2)C1 95520358 PBJZDSUKKQGUNF-UHFFFAOYSA-N 385.511 4.511 0 50 GJAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC1(Cn2cccc2)CCCCC1 409415167 VVXABPNVOPRQHR-FCHUYYIVSA-N 385.596 4.552 0 50 GJAA biogenic O[C@@]1(c2ccccc2)CCN(Cc2c[nH]nc2-c2ccccc2)[C@@H]2CCCC[C@@H]21 952964163 MYBKNIANLQQSJH-JBRSBNLGSA-N 387.527 4.729 0 50 GJAA CC(=O)c1cccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 1875318690 LZGYRYDWARHYHS-UHFFFAOYSA-N 379.648 4.617 0 50 GJAA O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCC(c2ccccc2)CC1 1875390219 NVRDSDZIUUDQQF-VWLOTQADSA-N 384.523 4.924 0 50 GJAA Cc1nn(C)c(C)c1[C@H](C)NCc1csc2c(Br)cccc12 2325756202 KTRRUUMXJPDRGU-JTQLQIEISA-N 378.339 4.865 0 50 GJAA Clc1cccc(CC2(N=c3cnc4cc(Br)ccc4[nH]3)CC2)c1 2325829149 AKEOJDYOXJFAMK-UHFFFAOYSA-N 388.696 4.655 0 50 GJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 629876 BHPSJZGEMOMEAL-UHFFFAOYSA-N 383.488 4.949 0 50 GJAA O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cc(Br)c3ccccc3c2N1 861543 ZGCCZJLTGIIXKX-AWEZNQCLSA-N 396.240 4.805 0 50 GJAA COc1ccc(OC)c(NC(=O)c2cccnc2Oc2ccc(Cl)cc2)c1 970384 CFCCLPXTONRAOU-UHFFFAOYSA-N 384.819 4.797 0 50 GJAA Cc1ccc(NC(=O)c2cc(I)ccc2Cl)c(C)c1 1215291 GEDUUHGHVHERKN-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 2062115 NVTGNABQTQJELT-LJQANCHMSA-N 394.500 4.943 0 50 GJAA COc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1 2693087 PFZVAOKAPOCZBH-UHFFFAOYSA-N 381.439 4.565 0 50 GJAA CSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C 5092689 FXGDLAHQWNKXES-UHFFFAOYSA-N 380.517 4.754 0 50 GJAA Cc1cccc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1 15065118 QPAQODAQVGFXSC-FQEVSTJZSA-N 396.962 4.708 0 50 GJAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 55183087 OLGYMRUNUSMBEB-MRXNPFEDSA-N 399.947 4.991 0 50 GJAA CCCOC(=O)N1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 95498868 ZVIGWDSPTWLQCS-UHFFFAOYSA-N 384.451 4.690 0 50 GJAA COc1ccc(N(C)C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1F 122533189 UQPBNKDPZCBLFZ-UHFFFAOYSA-N 385.826 4.530 0 50 GJAA CCc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1 169760329 SLLRJGPWVXLIQY-FQEVSTJZSA-N 381.863 4.623 0 50 GJAA COC(=O)c1ccc(N(C(=O)c2cc(F)c(F)cc2Cl)C(C)C)c(C)c1 170623591 YMFFGLNXPBTQGI-UHFFFAOYSA-N 381.806 4.768 0 50 GJAA COc1ccccc1OCCCN(C)C(=O)c1ccc(-c2ccc(C)o2)cc1 215548721 HHJCZWBCBNIMPD-UHFFFAOYSA-N 379.456 4.805 0 50 GJAA Cc1cccc(C)c1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 225495971 RZOHUTNIHWJJDD-KRWDZBQOSA-N 379.485 4.748 0 50 GJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC[C@H](OCc2cccnc2)C1 826621362 MYPJJASEPVUGOA-QHCPKHFHSA-N 390.458 4.709 0 50 GJAA Cc1cccc2nc(C3CCN(C(=O)[C@@H](c4ccccn4)C(C)C)CC3)oc12 952846191 PKPXSSSTLSLFFN-HXUWFJFHSA-N 377.488 4.677 0 50 GJAA O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 1775975260 GFASLJVKSUADHM-GIDUJCDVSA-N 397.883 4.825 0 50 GJAA Cc1cc(=O)c(O)c(-c2[nH]c(-c3cccc4[nH]ccc34)nc2-c2ccccc2)o1 1776111643 JAAKODSYGCAWIQ-UHFFFAOYSA-N 383.407 4.859 0 50 GJAA COC(C)(C)c1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875331791 VUBWIWPCNVEGOJ-QMMMGPOBSA-N 375.650 4.507 0 50 GJAA CCOc1ccc([C@H](CO)Nc2ncnc3sc(-c4ccccc4)cc23)cc1 1875337117 UFEXGHMDBDAVEX-IBGZPJMESA-N 391.496 4.903 0 50 GJAA COc1cc(Cl)cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 1875365212 KMRXEBDFBWBWQQ-QGZVFWFLSA-N 399.796 4.581 0 50 GJAA O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2c(F)cccc2c1O 2325841914 JVELDRVLEURHSK-SFHVURJKSA-N 379.435 4.526 0 50 GJAA Cc1sc(C)c(C(=O)O)c1CNC(=O)c1ccc(-c2cccs2)s1 2325866201 DEACSXDOGGBUFI-UHFFFAOYSA-N 377.512 4.783 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1115682 COQVOHAELNLDTB-LBPRGKRZSA-N 395.286 4.994 0 50 GJAA O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)c1ccccc1 1147720 SZTGQZOGYPEUMM-UHFFFAOYSA-N 378.497 4.877 0 50 GJAA CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 6240196 JLZIHKNECAVRIM-UHFFFAOYSA-N 394.496 4.863 0 50 GJAA COCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1 12079054 GKBAYGQZTRAWTQ-INIZCTEOSA-N 385.895 4.849 0 50 GJAA Cc1ccc(CN2CCN(C(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 17080392 HVNLOSCAHJMRQP-UHFFFAOYSA-N 393.478 4.528 0 50 GJAA Cc1ncsc1CN(Cc1ccccc1)Cc1nc(Cc2ccccc2)no1 19791444 DKDHMNWOYLDTQG-UHFFFAOYSA-N 390.512 4.628 0 50 GJAA O=C(Nc1ccc(Br)cc1)[C@]1(c2ccccc2)CC1(Cl)Cl 35178303 AUDKPGBYOIKIMI-OAHLLOKOSA-N 385.088 4.903 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cnccn2)ccc1O 65508500 NAIPMXWVELGISZ-MRXNPFEDSA-N 386.455 4.525 0 50 GJAA CSc1ccc2cc(CN3CC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 72428888 FZUTVHGZFMIERS-GOSISDBHSA-N 384.932 4.844 0 50 GJAA Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3Cl)cc2C)c(Cl)n1 119267915 YDRBQPBECRPZEY-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1OC 197175142 ZDNWPEVWMMJZJR-YEFRBMSASA-N 379.456 4.699 0 50 GJAA CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239212570 SYMHCTPDXDKNHO-RNIPGJKVSA-N 398.528 4.694 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 239275131 BFNRBQXBRYDVKQ-UNMCSNQZSA-N 391.858 4.986 0 50 GJAA CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 250753418 GVIBMJZVMHMBKI-CZRCWOFFSA-N 384.516 4.733 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257356430 HZUUHCXBSGFHDC-SYWHOVOISA-N 376.537 4.750 0 50 GJAA O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(F)(c2ccccn2)CC1 408517328 GWQJHNXSVUXWDW-UHFFFAOYSA-N 390.458 4.762 0 50 GJAA Cc1coc(-c2cc(N[C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)ccc2C)n1 777702918 BXXNSTSTTQTQCR-WMZHIEFXSA-N 391.515 4.660 0 50 GJAA COc1ccc(CCNC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)cc1OC 954204914 HIORFBZGFBAVJO-ZXTYOHMPSA-N 383.532 4.691 0 50 GJAA CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(O)c1 645730 LZDINSYYLMXXHP-UHFFFAOYSA-N 376.334 4.880 0 50 GJAA COc1ccc2c(c1)c1c3n2CCN(C(=S)Nc2ccccc2)[C@@H]3CCC1 1205150 BGCNFPPAHZPTSV-HXUWFJFHSA-N 377.513 4.740 0 50 GJAA Cc1ccc2nsnc2c1NC(=O)c1cc(Br)ccc1Cl 4614674 XUQSKMSBMKWEDI-UHFFFAOYSA-N 382.670 4.668 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCC(F)(F)F 12507311 MABOLLKSUVXJBC-OAHLLOKOSA-N 379.426 4.653 0 50 GJAA CCN1CCC(N2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)CC1 15069780 ARUBPFUTFQHAML-RUZDIDTESA-N 383.624 4.582 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCOc2ccc(Cl)cc2C1 55042172 TUHLRMNBGXVTHN-UHFFFAOYSA-N 390.817 4.976 0 50 GJAA CC(C)=CCN1CC2(CCN(c3ccc4cccc(Cl)c4n3)CC2)CC1=O 92099524 KTJPEJKCQZBGHG-UHFFFAOYSA-N 383.923 4.673 0 50 GJAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)N(Cc1cccnc1)C1CCCCC1 96166528 XBOJDILYXXNVBJ-UHFFFAOYSA-N 375.476 4.839 0 50 GJAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(C2CC2)c(F)c1 252481638 CPUDPNJYLLVYQP-UHFFFAOYSA-N 395.478 4.651 0 50 GJAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc(-c2cccnc2)cs1 263587119 CITCKGIVAUAOSK-QGZVFWFLSA-N 380.498 4.686 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c(C)n1Cc1ccncc1 456855480 ZGUXGNGZDWLSHP-JOCHJYFZSA-N 395.453 4.804 0 50 GJAA O=C1OC2(CCC2)[C@H](C(=O)OCc2ccc(Cl)c(Cl)c2)c2ccccc21 1875354589 JYAKCNPLKBGJNQ-KRWDZBQOSA-N 391.250 4.914 0 50 GJAA CC1(C)CN(C(=O)NC2CCC3(CCCCO3)CC2)[C@H]1c1ccc(F)c(F)c1 2325826704 JYRGQCMLNDMUFD-UEUGHCDMSA-N 392.490 4.939 0 50 GJAA O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Br)cc1 1225920 QKCHIXVNLGVKSU-UHFFFAOYSA-N 377.241 4.815 0 50 GJAA biogenic CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 2760178 DUEWNQHYXCWBTO-IBGZPJMESA-N 383.879 4.689 0 50 GJAA Cc1cc(NC(=O)c2cc3ccccc3o2)c(C)cc1I 2852597 YRYNMVBZAPPOIA-UHFFFAOYSA-N 391.208 4.907 0 50 GJAA CN(C(=O)c1ccccc1Cl)c1ccccc1C(=O)NCCc1ccccc1 4839880 ZPNWHIRIIIQAAU-UHFFFAOYSA-N 392.886 4.589 0 50 GJAA O=C(CSc1ccc(Br)cc1)Nc1ccccc1OC(F)F 4842289 OYUYLMZMAGBFHW-UHFFFAOYSA-N 388.233 4.781 0 50 GJAA CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 6212885 SOFIZJSOCYSXNE-UHFFFAOYSA-N 380.513 4.906 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@H](C)c1ccccc1)O2 11782383 GGDFNPFSHAOVCZ-VGSWGCGISA-N 399.490 4.780 0 50 GJAA CCCc1nc2cccnc2n1C1CCN(Cc2ccc(SC)cc2)CC1 12246626 TVOUYANANQJYSX-UHFFFAOYSA-N 380.561 4.943 0 50 GJAA CSc1cccc(NC(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)c1 55393036 UTBOZOMHSMLENK-UHFFFAOYSA-N 393.516 4.536 0 50 GJAA COc1ccc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cc1 67758872 CKPSZUZIUNYYPP-UHFFFAOYSA-N 375.468 4.771 0 50 GJAA CCC[C@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67784395 ILQBWQBGVYDCGI-INIZCTEOSA-N 394.471 4.678 0 50 GJAA Cc1cc(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)ccc1O 71419479 UPOJUYICGQNKQF-UHFFFAOYSA-N 384.435 4.707 0 50 GJAA Cc1nc(C)c(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)s1 91505475 ZGQDQZCFLGVOMV-UHFFFAOYSA-N 376.525 4.869 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N(C)C4CCCCC4)csc3C2)nc1 426667623 RTFKZJJAVQXUHB-UHFFFAOYSA-N 397.588 4.669 0 50 GJAA CC(C)n1ccnc1-c1ccc(C(=O)N(Cc2cccc(O)c2)C2CC2)cc1 534657474 RUYKHUVQVATZBN-UHFFFAOYSA-N 375.472 4.641 0 50 GJAA Cc1ccc(-c2nc(C(=O)Nc3ccc4[nH]c(=O)c(C)cc4c3)cs2)c(C)c1 1875336568 HISPGZKRNRJBGD-UHFFFAOYSA-N 389.480 4.829 0 50 GJAA COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 1146116 ILONSRGBFKXDMD-UHFFFAOYSA-N 385.510 4.788 0 50 GJAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2ccc(F)cc2)c1 1193710 IWMRRWRZWMNADE-BKUYFWCQSA-N 391.373 4.888 0 50 GJAA CCCCOC(=O)c1ccc(OC(=O)Nc2ccc(OC)cc2Cl)cc1 1738521 MFKAZADQGHVLGH-UHFFFAOYSA-N 377.824 4.916 0 50 GJAA OCc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(Br)cc1 2541923 UTGMLEKEQPXUSB-UHFFFAOYSA-N 381.632 4.587 0 50 GJAA CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC 3861027 WTLBZVNBAKMVDP-UHFFFAOYSA-N 398.477 4.594 0 50 GJAA biogenic,in-vitro O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C12CC3CC(CC(C3)C1)C2 4881548 MHUFMFCBHQGKEV-UHFFFAOYSA-N 392.465 4.570 0 50 GJAA O=C([C@@H]1CC12CCCC2)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 11937548 DRPYEVNHIDVYKC-QHCPKHFHSA-N 395.591 4.645 0 50 GJAA Cc1ncsc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 12429669 BDZJFMQHKPFFGE-QHCPKHFHSA-N 397.588 4.703 0 50 GJAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c1 20201834 VOMPXUKUNDBHJG-FQEVSTJZSA-N 389.499 4.536 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2ccc(F)cc2)n[nH]1 22171330 SVAFPKVUPWXFNC-UHFFFAOYSA-N 380.206 4.540 0 50 GJAA NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)c2ccccc21 119626889 QFRRNXFUGOKDGO-MRXNPFEDSA-N 396.899 4.688 0 50 GJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1cccc2cccnc12 170615033 PHVBVGGDZPGEPZ-UHFFFAOYSA-N 385.485 4.833 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H]1c1ccccc1 170643667 UAMDNSIJCZJCRZ-BLLLJJGKSA-N 387.361 4.589 0 50 GJAA Cc1sc2nc([C@@H](C)Nc3ccc(OC4CCC4)c(F)c3)[nH]c(=O)c2c1C 170651606 XRSFOHRVTZHOGN-LLVKDONJSA-N 387.480 4.845 0 50 GJAA CC(C)N(C(=O)c1cc2ccccc2s1)c1ccc(CC(=O)N(C)C)cc1 225660782 KUQDRNWSIGXXIM-UHFFFAOYSA-N 380.513 4.587 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cccnc1)CC(=O)O2 253415104 ZQUNZEYNKQRJTF-SFHVURJKSA-N 383.403 4.604 0 50 GJAA biogenic CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1nc(C(F)(F)F)cs1 474770279 VMMMBYKVVLZIRU-NSHDSACASA-N 399.369 4.837 0 50 GJAA CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccn(-c3ccccc3)n2)cc1 1875362754 RDUQUDFKUJNSFY-KRWDZBQOSA-N 397.544 4.599 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 688764 OJMSZKDBPLFEIK-RZXPCSSPSA-N 382.529 4.650 0 50 GJAA COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1OC 916785 MUJFEBDHDMUXDH-HTAPYJJXSA-N 376.412 4.539 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 1168597 ZYWQZMWURLSVKM-UHFFFAOYSA-N 386.502 4.873 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 1207208 OOVFUWGDUCELHK-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA COC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2518275 OBCKJSMKDSHPPN-UHFFFAOYSA-N 387.435 4.512 0 50 GJAA CC(C)[C@@H]1C[C@](CCNCc2ccc3c(c2)OCO3)(c2ccccc2)CCO1 4037976 CNIGJORLWLOETQ-BJKOFHAPSA-N 381.516 4.668 0 50 GJAA biogenic O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(Cc1nc3ccccc3s1)CC2 12079567 LTBBEBZKZNGWFS-KRWDZBQOSA-N 395.503 4.676 0 50 GJAA CSc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 12303436 SALZZJTVPVHPNY-LJQANCHMSA-N 390.508 4.692 0 50 GJAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CC=C(C)C)CC2 12457091 BYSMYVPJTBNGTN-UHFFFAOYSA-N 378.516 4.591 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccc(OC3CCCC3)cc2)C1)N1CCCC1 15075954 XBMQUHXFGPMBFL-HXUWFJFHSA-N 384.564 4.623 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 19790144 XDKQBPGVSHBLEK-UHFFFAOYSA-N 390.914 4.965 0 50 GJAA Fc1cccc(Cl)c1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 19836799 ZXUVVYHMGGODJH-OAQYLSRUSA-N 380.854 4.831 0 50 GJAA COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc12 20616557 FVIVGRFPWZBYNC-UHFFFAOYSA-N 390.148 4.509 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H](OC)C2)cc1 72407265 RGHFPOIXVQMGBH-QFIPXVFZSA-N 376.500 4.830 0 50 GJAA C[C@H](c1ccc(C(=O)N(C)CCn2ccc3ccccc32)o1)N1CCCCC1 97288907 MIXPZKZDQVFXGF-GOSISDBHSA-N 379.504 4.553 0 50 GJAA O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ncoc1[C@@H]1CCCO1 170627200 IRQUWILXOLIBLR-KRWDZBQOSA-N 388.895 4.811 0 50 GJAA Cn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H]3CCCC[C@H]3C2)c1=S 252444026 SUUKMYRYSFDUBL-HOCLYGCPSA-N 376.957 4.741 0 50 GJAA Cc1cnc(C2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)s1 277443279 JJOFKCOZASJNGM-VQTJNVASSA-N 399.560 4.508 0 50 GJAA O=C(c1cccc(-c2cccc(C(F)(F)F)c2)c1)N1CCO[C@@H](C2CC2)C1 299755968 GQWHJHCJKUXEPI-LJQANCHMSA-N 375.390 4.623 0 50 GJAA CN1CCCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 426677479 NFHNZBULORZQIQ-QGZVFWFLSA-N 376.422 4.587 0 50 GJAA O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1F 497356575 BTPIIMXZMGIGRR-UHFFFAOYSA-N 394.393 4.941 0 50 GJAA CN1C[C@@H](Cn2ccnc2-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1=O 1857709192 KBAIDDPLOQUAFR-LBPRGKRZSA-N 390.270 4.595 0 50 GJAA Cc1cccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 1875334312 JJYFGARCSLYKCQ-DSKINZAPSA-N 388.914 4.700 0 50 GJAA COc1cncc(CCC(=O)OCc2ccc(Oc3ccc(Cl)cc3)nc2)c1 2325730657 UMWLUWXYXUSWGE-UHFFFAOYSA-N 398.846 4.607 0 50 GJAA COc1ccc(C(=O)N[C@@H](Sc2ccccc2)C(Cl)(Cl)Cl)cc1 725816 TUXXXYNQMRPODQ-HNNXBMFYSA-N 390.719 4.914 0 50 GJAA COC(=O)Cn1c2c(c3cc(C)ccc31)CCC[C@@H]2N[C@H](C)c1ccccc1 978479 IPVYABONDHEMAS-UTKZUKDTSA-N 376.500 4.851 0 50 GJAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 1113782 NUSHURBIDLPFEG-UHFFFAOYSA-N 382.504 4.973 0 50 GJAA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccccc2Cl)NC(=O)N1 1218553 ADVRNAZZJZCJNA-KRWDZBQOSA-N 390.270 4.568 0 50 GJAA CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 2838251 YQLYIIRTDYLBJA-UHFFFAOYSA-N 390.936 4.598 0 50 GJAA Cc1cc(OCc2ccc(Br)cc2F)c2c(C)cc(=O)oc2c1 2840713 LJHMQWAEPXKOEL-UHFFFAOYSA-N 377.209 4.890 0 50 GJAA CC1(C)C[C@@H](n2c(SCCc3ccccc3)nc3ccccc3c2=O)CCO1 4795364 OSXFKGDAGJBZAU-SFHVURJKSA-N 394.540 4.861 0 50 GJAA O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 4833581 GLVRWFPNMICOAU-FQEVSTJZSA-N 386.495 4.689 0 50 GJAA O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)n1)c1cccc(Cl)c1 13285108 IXJFBEMHXLHION-UHFFFAOYSA-N 386.238 4.893 0 50 GJAA Cc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4s3)C2=O)cc1Cl 18136529 QDBRMUZOZZBPNQ-OAHLLOKOSA-N 388.901 4.682 0 50 GJAA CC[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(C)cc3)cn12 67974292 NYINZTAWNNLSCD-LJQANCHMSA-N 390.512 4.990 0 50 GJAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)c3n[nH]cc3Cl)cc12 71764783 UWUBYLKVAAQSSX-UHFFFAOYSA-N 382.826 4.589 0 50 GJAA Cc1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 74934336 ARLXOZWDGQGERD-UHFFFAOYSA-N 387.274 4.829 0 50 GJAA in-vitro COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)OC(C)C)C2)cc1 95510375 FEVSXGFQIFVYMR-GOSISDBHSA-N 396.487 4.558 0 50 GJAA Fc1ccc(Br)c(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 134134564 BMNXDRBWUZDOKG-UHFFFAOYSA-N 382.620 4.904 0 50 GJAA CC(C)C[C@H]1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 174805213 IYELOIBNMLZPHR-GFCCVEGCSA-N 382.386 4.655 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 242273679 YEYLIJMICKWBDJ-KRWDZBQOSA-N 394.327 4.657 0 50 GJAA CO[C@@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@H]3c3ccccc3)cc2C1 752931647 FSDMERINJVFVSS-ILBGXUMGSA-N 398.506 4.980 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1Br 1775971450 SIRAAZPINKTTGT-UHFFFAOYSA-N 382.323 4.990 0 50 GJAA O=S(=O)(Nc1ccc2[nH]c(-c3cccs3)nc2c1)c1coc2ccccc12 1875328691 HSYBUWJTKRXOGE-UHFFFAOYSA-N 395.465 4.838 0 50 GJAA Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1 759032 ACCPBDSGHDRJJU-UHFFFAOYSA-N 392.505 4.731 0 50 GJAA CCCC(CCC)C(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 1065017 VKPPYWJWOHRBMQ-UHFFFAOYSA-N 382.460 4.792 0 50 GJAA CCN(CC)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 1181806 SNOHAXFNLZPVMR-UHFFFAOYSA-N 377.282 4.556 0 50 GJAA CC(C)COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 4037220 ZCXQEJFUNCONGT-UHFFFAOYSA-N 396.270 4.824 0 50 GJAA CCOc1ccc2nc(SCC(=O)Nc3nc4c(C)cccc4s3)[nH]c2c1 4643606 YIQNQGVVQFHDSB-UHFFFAOYSA-N 398.513 4.611 0 50 GJAA COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1OC 11665126 SHAIKGAYXMSDCZ-HXUWFJFHSA-N 382.504 4.544 0 50 GJAA CN(Cc1cccnc1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 13593098 HEGNOWZLCULZNR-UHFFFAOYSA-N 384.483 4.906 0 50 GJAA c1ccc(Cn2cc(CN3CCSCC3)c(-c3cc4ccccc4o3)n2)cc1 72433878 IGZQGCBLBTUSGK-UHFFFAOYSA-N 389.524 4.893 0 50 GJAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-c2ccccc2F)s1 116688884 LPJOFUMQXVUPMN-SANMLTNESA-N 387.501 4.993 0 50 GJAA CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 169772742 ARXGTLPPOIHYQA-QFIPXVFZSA-N 390.527 4.655 0 50 GJAA CCCOc1c(Cl)cc(CNc2cccc3c2OCC[C@H]3O)cc1OCC 184065100 OXUPVFXBBOHKED-GOSISDBHSA-N 391.895 4.956 0 50 GJAA Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 205761722 HSDSSIBCZOFIBG-ZDUSSCGKSA-N 377.271 4.602 0 50 GJAA COC(=O)Nc1cc(NC(=O)N2CCc3c(cccc3C(C)C)C2)ccc1F 239761641 CKBJRZUBOMEEFR-UHFFFAOYSA-N 385.439 4.718 0 50 GJAA Clc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)c1 263618911 WCKBUEONVNHGOS-GOSISDBHSA-N 378.819 4.525 0 50 GJAA Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2Br)c(C)c1 678978 RPOHHTQNJHNBMK-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA O=c1c2ccccc2nc(CSc2ccccn2)n1-c1ccccc1Cl 828946 UTCBHPYMGPZGFK-UHFFFAOYSA-N 379.872 4.726 0 50 GJAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cccc(Br)c1 957752 ICWGTRKGXPXUJK-UHFFFAOYSA-N 397.297 4.936 0 50 GJAA Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2c1 1072121 JIHYILUFJDFIEE-UHFFFAOYSA-N 384.545 4.603 0 50 GJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(Cl)c1C 1183533 ZUVAJBWIGBFILJ-UHFFFAOYSA-N 384.888 4.937 0 50 GJAA CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 1199936 WSODGFPKIJCUMS-NTCAYCPXSA-N 392.543 4.745 0 50 GJAA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C(F)(F)F)CC(=O)O3)cc1 4626310 VXQAUUYKPWBRPZ-CQSZACIVSA-N 388.345 4.545 0 50 GJAA Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1-c1ccccc1 6110491 RXIAHNMTDLOLFQ-UHFFFAOYSA-N 393.299 4.613 0 50 GJAA CCN(Cc1ccncc1)C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 12446557 STGLTUWWFYXRAQ-UHFFFAOYSA-N 396.903 4.774 0 50 GJAA O=C(CC1CC1)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 15007559 BYAUGWKCERXUIS-HNNXBMFYSA-N 375.390 4.592 0 50 GJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 42437767 NOGOREVPLIDFCL-INIZCTEOSA-N 383.442 4.743 0 50 GJAA Cc1nc2c(s1)CCC[C@@H]2n1cnc(-c2ccccc2)c1-c1[nH]cnc1C 67605412 ZNRNQVVQXQFNOM-INIZCTEOSA-N 375.501 4.939 0 50 GJAA C[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 67725571 DMEBUHOGKJMNIR-ZDUSSCGKSA-N 396.903 4.944 0 50 GJAA O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H](c1cccc(F)c1)C1CCCC1 120942339 VPNVOMJRFLZWIR-FQEVSTJZSA-N 397.450 4.835 0 50 GJAA c1ccc(CCCc2nnc(SCc3nc(Cc4ccccc4)no3)o2)cc1 172974717 NJDNWYITLCMASP-UHFFFAOYSA-N 392.484 4.511 0 50 GJAA CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@](C)(C3SCCS3)C[C@H]12 252427794 GEFRKHXTFACOQE-IFKFXWNZSA-N 398.634 4.718 0 50 GJAA CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccn(-c3ccccc3)n2)cc1 1875362755 RDUQUDFKUJNSFY-QGZVFWFLSA-N 397.544 4.599 0 50 GJAA O=C(O)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 1164603 WWPNUAMMGARHJE-UHFFFAOYSA-N 393.782 4.631 0 50 GJAA Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 1537619 KQOXLKOJHVFTRN-UHFFFAOYSA-N 381.354 4.680 0 50 GJAA biogenic,investigational COc1ccc2c(CCNC(=O)C(c3ccccc3)c3ccccc3)c[nH]c2c1 2332530 RDQHQUHBPUPILH-UHFFFAOYSA-N 384.479 4.667 0 50 GJAA O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@](CO)(CCc2ccccc2)C1 11873175 UENRYBYJAXXPBV-XMMPIXPASA-N 399.962 4.897 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@@H](C(=O)c2ccccc2SC)C1 11933506 VUPZYWWTUXURLT-MRXNPFEDSA-N 385.529 4.521 0 50 GJAA CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCN(CCc2ccccc2)C1 12093539 XTNPCHLTQKBELO-FQEVSTJZSA-N 378.541 4.680 0 50 GJAA Cc1cccc(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)n1 12387805 YCCMAICKBXQJEK-NRFANRHFSA-N 399.538 4.699 0 50 GJAA c1ccc(-c2ncn([C@@H]3CCCN(Cc4cccnc4)C3)c2-c2cccnc2)cc1 65436262 DISZDWNYTBSKGY-HSZRJFAPSA-N 395.510 4.844 0 50 GJAA O=C(c1ccn(C(F)F)n1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91625494 OLUFDIXOPRVDAA-UHFFFAOYSA-N 381.426 4.501 0 50 GJAA CCOC[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 115217097 VPIWDYAFEOWULH-CQSZACIVSA-N 397.441 4.525 0 50 GJAA Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 124658056 UBQRZWFCPQWLOW-HNNXBMFYSA-N 397.866 4.505 0 50 GJAA Cc1c(C(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)oc2c1ccc1ccccc12 170601778 INPHUEBCPJXGNS-FQEVSTJZSA-N 396.450 4.726 0 50 GJAA Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccccn1)C1CC1 177390579 CFCNKMLCSRHPFM-GOSISDBHSA-N 378.520 4.965 0 50 GJAA O=C1C[C@@H](C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c2ccccc21 475263403 YFCWAUYANDARLI-QHNXESLASA-N 393.486 4.770 0 50 GJAA COc1ccc(-c2cncc(C(=O)Nc3ccc(Oc4cnccn4)cc3)c2)cc1 1357175944 QHPNMSYHRZRVCR-UHFFFAOYSA-N 398.422 4.592 0 50 GJAA Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl 1072050 BSCHXDSDZVMCOJ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA COc1cc(C=O)ccc1OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1170400 OEMCHHSGKGIIPU-UHFFFAOYSA-N 398.418 4.580 0 50 GJAA CCOc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(OCC)c1OCC 1212270 IPDVPZVCMNCEIQ-UHFFFAOYSA-N 393.867 4.797 0 50 GJAA CCCOc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)cc1 2088216 URMGYZUGWZQGCS-IBGZPJMESA-N 390.483 4.599 0 50 GJAA Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c1CC(C)C 4625786 RHHJKUGUQMLJOE-UHFFFAOYSA-N 387.427 4.546 0 50 GJAA CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C 4717219 CJNLULVRNIRSID-CTNGQTDRSA-N 376.500 4.794 0 50 GJAA CC(C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 4873108 FLZFXHKBOLIPAL-UHFFFAOYSA-N 376.909 4.599 0 50 GJAA CN(Cc1nccs1)C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 11945083 LLYBEWHIZQGQQP-SFHVURJKSA-N 386.904 4.683 0 50 GJAA Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)c1ccoc1)C2 12048369 UQEIPXTYFHDQFY-MRXNPFEDSA-N 390.464 4.598 0 50 GJAA Cc1cnccc1CNC(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1 12448089 PSLDKNOBNUWLAO-OAQYLSRUSA-N 380.875 4.587 0 50 GJAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)Cc1coc2cc(C)cc(C)c12 952987266 MVAJOOUSWPTJKB-UHFFFAOYSA-N 391.427 4.598 0 50 GJAA CSc1ccc2c(C)cc(N3CCC([C@@H](O)c4ccccn4)CC3)nc2c1 1704350544 BQJSTZWYZVMCNT-JOCHJYFZSA-N 379.529 4.610 0 50 GJAA O=S(=O)(Nc1cccc(Cl)c1Br)c1sccc1C1CC1 2325866761 YZBVSBUERXXWNT-UHFFFAOYSA-N 392.727 4.842 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)c1 629953 SQDXESGTTJTEMK-SHZLTDHESA-N 379.459 4.782 0 50 GJAA O=C(Nc1c(Cl)cc(Br)cc1Br)c1ccco1 640051 RZMNRJPVPPAMIB-UHFFFAOYSA-N 379.435 4.710 0 50 GJAA COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(C)c3)n2)cc1 1158641 JJIVWKDPSSUNKR-UHFFFAOYSA-N 397.525 4.562 0 50 GJAA COC(Cn1c2c(c3cc(C)ccc31)CCC[C@H]2NCc1ccccc1)OC 1215825 PFXPDLRBEHXLIW-OAQYLSRUSA-N 378.516 4.736 0 50 GJAA CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@@H](C(=O)O)C1 2736123 NSTQVJHUSUXFQI-IRXDYDNUSA-N 384.501 4.813 0 50 GJAA COc1ccc(Oc2coc3cc(OC(=O)CC(C)(C)C)ccc3c2=O)cc1 4043289 TYKOGFDHPYUZLN-UHFFFAOYSA-N 382.412 4.936 0 50 GJAA Cc1ccn2c(CN[C@H](C)c3ccccc3)c(C(=O)N3CCCCCC3)nc2c1 12307341 YLMDXFWILQZWJR-LJQANCHMSA-N 390.531 4.510 0 50 GJAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)c1 15961854 INFSZTWDDDDSMS-LJQANCHMSA-N 381.520 4.561 0 50 GJAA Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccccc2)cc1 18093961 JEUJBGKXNYOBRO-OAQYLSRUSA-N 399.519 4.564 0 50 GJAA Cc1ccsc1CN(Cc1c(C)n(C)n(-c2ccccc2)c1=O)CC(C)C 55393455 OREDXCPOVSINJA-UHFFFAOYSA-N 383.561 4.513 0 50 GJAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1CCSc1nncn1C 65372319 BRDOPRVFYDEEEB-DTQAZKPQSA-N 391.500 4.624 0 50 GJAA Cc1cccc2nc(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cn12 177238562 JCBJQXPNBMNSMP-UHFFFAOYSA-N 397.544 4.502 0 50 GJAA COCc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 239882354 DBJIHCVWIVHZQZ-UHFFFAOYSA-N 389.455 5.038 0 50 GJAA CC(=O)c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)cs1 299791276 CFMLYJJONBFBCS-KSZLIROESA-N 379.485 4.694 0 50 GJAA CCn1cc(-c2cccc(C(=O)N(Cc3ccncc3)C3CCCCC3)c2)cn1 299791798 DKWVUXKNBCLWCI-UHFFFAOYSA-N 388.515 4.940 0 50 GJAA COc1ccccc1-c1ccc([C@H](C)NCc2nc(-c3ccncc3)no2)cc1 1875256793 XRQFJDPLTQNRFK-INIZCTEOSA-N 386.455 4.658 0 50 GJAA COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3)cc12 623953 IJJDQIWXMXOXIG-UHFFFAOYSA-N 389.201 4.510 0 50 GJAA biogenic CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(=O)OC(C)C 996047 QKHDJYSBRWZUOS-FMIVXFBMSA-N 387.501 4.845 0 50 GJAA CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 1773561 RPNGIPHTRVPECH-UHFFFAOYSA-N 396.531 4.618 0 50 GJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1c(-c2ccccc2)noc1C 2763579 GPXRVOGHVQSGIZ-UHFFFAOYSA-N 384.457 4.874 0 50 GJAA O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1cccc(F)c1 2970151 SWPFYEQTBIYLJH-UHFFFAOYSA-N 375.403 4.507 0 50 GJAA Cc1c(Cl)c(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 2982454 KZFDJJCVGREDMA-UHFFFAOYSA-N 377.223 4.978 0 50 GJAA O=C(NC1CCCC1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 4680151 CKJYSVSJDDCIEQ-UHFFFAOYSA-N 392.543 4.536 0 50 GJAA COc1cc2c(cc1NC(=O)c1ccc3c(c1)OCCO3)oc1ccccc12 4750354 XEVWQNXJACGHRI-UHFFFAOYSA-N 375.380 4.618 0 50 GJAA CCOC(=O)c1c(NC(=S)N2CCCC[C@H]2C)sc2c1CCCCC2 5979965 MGRNULQKFNSGOC-CYBMUJFWSA-N 380.579 4.765 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc1 6858595 LEUBKGVXBBQUGB-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C[C@@H]2CC=CCC2)CC1 12299442 ZBZVAZGIHMWMPJ-LJQANCHMSA-N 391.515 4.881 0 50 GJAA CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 13939766 JVIRMVXGMHIIKI-YQNUULROSA-N 384.863 4.610 0 50 GJAA FC(F)(F)c1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccnc3)C2)c1 19840957 DDFPPVUNLJWCSO-QGZVFWFLSA-N 386.421 4.870 0 50 GJAA Cc1ccc(-n2c(S[C@H](C)c3nnc(C)s3)nnc2-c2ccncc2)cc1 170594245 CNHFUVBEAYOLKI-CYBMUJFWSA-N 394.529 4.651 0 50 GJAA Cc1cc(C)cc(Oc2ccc(CNC(=O)N(C)Cc3cnccn3)cc2C)c1 170630724 IQOUVEFTFSQPPI-UHFFFAOYSA-N 390.487 4.536 0 50 GJAA Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 225416472 VUKRLHHGVGUXJL-SJORKVTESA-N 396.288 4.890 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 239347322 MSMNYVHIMRGVNV-NEWJYFPISA-N 395.458 4.635 0 50 GJAA Fc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)cc1F 299760173 OCBMGZHQUZFJIH-DBVUQKKJSA-N 381.426 4.632 0 50 GJAA Cc1ccc2[nH]nc(C(=O)Nc3ccc(Oc4nc(C)cs4)c(F)c3)c2c1 328591436 VCOSWSNGXLXJEH-UHFFFAOYSA-N 382.420 4.820 0 50 GJAA CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 334160732 LETXEFIBVVVPKP-SNRMKQJTSA-N 384.549 4.562 0 50 GJAA Cc1ccc(Cl)cc1-c1ccc(C(=O)N(Cc2cnn(C)c2)C2CC2)cc1 584893163 UUIBNJXDYNAADL-UHFFFAOYSA-N 379.891 4.854 0 50 GJAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 952981035 LURUNYUSYXEAEQ-LBPRGKRZSA-N 377.271 4.690 0 50 GJAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H]3c3ccc(CN(C)C)cc3)c2)n1 1506421510 QPUVVBKNQMURME-VWLOTQADSA-N 388.559 4.888 0 50 GJAA Cc1c([C@H](C)NCc2ccc(-c3cc[nH]n3)o2)cnn1-c1ccc(Cl)cc1 1875264058 QRXWQABOBZEHFG-ZDUSSCGKSA-N 381.867 4.668 0 50 GJAA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(N[C@H]2C[C@H]2C(F)(F)F)c1 1875335526 ROXLXWPALVCDCD-CABCVRRESA-N 383.801 4.587 0 50 GJAA CCOc1ccc([C@@H](CO)Nc2ncnc3sc(-c4ccccc4)cc23)cc1 1875337118 UFEXGHMDBDAVEX-LJQANCHMSA-N 391.496 4.903 0 50 GJAA Cc1ccc(-c2csc(NC(=O)NCc3ncc(-c4ccccc4)[nH]3)n2)cc1 1875390346 SZHRSRZIIJFQAB-UHFFFAOYSA-N 389.484 4.830 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3n2)cc1 815321 NVPUMSULWSYBAH-CQSZACIVSA-N 384.430 4.657 0 50 GJAA CCOC(=O)c1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 839153 SAHLEMYTDYOGLQ-UHFFFAOYSA-N 384.819 4.732 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1139682 HGPVUAVXJBGMSO-UHFFFAOYSA-N 384.819 4.511 0 50 GJAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2754732 KYLLGCLZUYTHTL-SJORKVTESA-N 378.453 4.569 0 50 GJAA CCCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 2997678 WPCGUPXKDCZWIC-LJQANCHMSA-N 394.515 4.728 0 50 GJAA Cc1ccc(C[C@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@@H](C)C(=O)O)cc1 4698214 DPGYGRXEBIESJS-KTGMGEISSA-N 397.559 4.597 0 50 GJAA CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=N)NC1=O 5102355 RBRWHLSOATUZHW-KWPCUBQOSA-N 396.512 4.797 0 50 GJAA CCOc1cc(Cl)c(Cl)c2cc(C(=O)NC3CCCCC3)c(=O)oc12 6668450 OMRDAOONBGVXEB-UHFFFAOYSA-N 384.259 4.561 0 50 GJAA CCn1cc(CNCc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cn1 12199228 WHFUQKSIZOMBRC-UHFFFAOYSA-N 385.515 4.662 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1Cl 35511352 DJOPJYUDBXUNND-OAHLLOKOSA-N 393.871 4.838 0 50 GJAA Cc1ccc(CN(Cc2ccncc2)Cc2cc3ccc(F)cc3[nH]c2=O)s1 55269815 WTYGNTPCXLJXGF-UHFFFAOYSA-N 393.487 4.635 0 50 GJAA CCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1 63845693 DUKCXCWGZIMOSW-KRWDZBQOSA-N 376.504 4.750 0 50 GJAA CC1(NC(=O)c2ccccc2)CCC(C(C)(C)NC(=O)c2ccccc2)CC1 71770301 LECHGPIPIWUFSA-UHFFFAOYSA-N 378.516 4.574 0 50 GJAA CCOC(=O)c1c(CC2CCCCC2)n(CCc2ccccc2)c(C)cc1=O 72446948 GYHGSQMBCWPGFL-UHFFFAOYSA-N 381.516 4.699 0 50 GJAA CC(C)(C)[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccc(F)c1 176874253 MEXNRSBSRJELTN-SFHVURJKSA-N 385.439 4.691 0 50 GJAA Cc1nc(CC(C)C)oc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 188667889 JRLSSEGUKBRIKN-HNNXBMFYSA-N 392.883 4.645 0 50 GJAA CCCc1c(NC2CCN(Cc3ccccn3)CC2)cnn1-c1ccc(C)cc1 225462608 JCPKGFIAAHNXJB-UHFFFAOYSA-N 389.547 4.605 0 50 GJAA O=C(N[C@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ccc[nH]1 2325736903 VWOBFGBPSLBGOH-LJQANCHMSA-N 387.266 4.776 0 50 GJAA COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3)ccc2c1=O 1124270 XUUCUYPKXFNBQU-UHFFFAOYSA-N 386.403 4.996 0 50 GJAA biogenic O=S(=O)(NCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 1128079 SLSPDWSXSGDMLY-UHFFFAOYSA-N 385.099 4.779 0 50 GJAA O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1cccc(Cl)c1 1201411 SNPXSWUPCMENSZ-XSFVSMFZSA-N 376.843 4.750 0 50 GJAA Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 2989868 YXMYWBMUCJOJAV-UHFFFAOYSA-N 379.239 4.691 0 50 GJAA CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12029766 WKBZHHDPMVUYAP-IBGZPJMESA-N 389.499 4.668 0 50 GJAA CCc1cc2c3c(c1)[C@]1(NCCc4c1[nH]c1ccccc41)C(=O)N3C(C)(C)C[C@H]2C 19890847 HEHNRBQRNGNKME-PVPMGCCUSA-N 399.538 4.752 0 50 GJAA biogenic O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 20366406 GLTVFVDWAOGDQF-UHFFFAOYSA-N 393.196 4.641 0 50 GJAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3oc(C)cc3c2)cc1 92027978 RERGHSMOOCSLMB-NRFANRHFSA-N 379.456 4.571 0 50 GJAA C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1cccs1)c1ccc(-c2ccncc2)cc1 129496159 FXRZBPNDXYPLJU-GQIGUUNPSA-N 395.528 4.683 0 50 GJAA Cc1c(COC(C)C)cccc1NC(=O)NC[C@H]1CCN(C)c2ccccc21 173851910 YOXUWRRYOHZEEX-GOSISDBHSA-N 381.520 4.665 0 50 GJAA COc1ccccc1COC1CCN(Cc2ncc(-c3ccccc3)o2)CC1 179755248 PLVPCXPWSCXGEA-UHFFFAOYSA-N 378.472 4.531 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 239433569 XZVSITAWEJANLD-GMAHTHKFSA-N 390.870 5.591 0 50 GJAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 252444236 XNNWXFLRPFDFMK-JXFKEZNVSA-N 391.540 4.801 0 50 GJAA C[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 958528062 SLJCYEDXGJJBDY-IGMOGCDKSA-N 393.483 4.755 0 50 GJAA CCC(=O)N(c1ccccc1)C1CCN(CCc2c[nH]c3ccccc23)CC1 1775953763 KZRCNDCSHLUGKI-UHFFFAOYSA-N 375.516 4.618 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2NC(C)C)cc1 1857800154 ABKIACMMLIRTFW-SDNWHVSQSA-N 382.485 4.807 0 50 GJAA Cc1cccc(Oc2ncccc2NC(=O)c2sc([C@H](C)N)nc2C)c1C 2325778622 GQHKVRNYQGSJOA-ZDUSSCGKSA-N 382.489 4.528 0 50 GJAA c1ccc(CCNc2ncnc3scc([C@H]4COc5ccccc5O4)c23)cc1 1109132 WTYPTWTYRSIYOG-LJQANCHMSA-N 389.480 4.858 0 50 GJAA COC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCC2 1112770 JTAPBKDSRVRVPL-CMDGGOBGSA-N 396.295 4.982 0 50 GJAA Cc1[nH]c2ccc(Cl)cc2c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O 1422391 QLLBAQSJHFWTCG-LJQANCHMSA-N 376.884 4.536 0 50 GJAA CC(C)(C)c1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccc(Cl)cc3)c2n1 2443975 HSTQLXGROISXQO-INIZCTEOSA-N 384.911 4.938 0 50 GJAA O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1 2843692 FVXSYGFMACEWJH-MSOLQXFVSA-N 399.940 4.861 0 50 GJAA O=C(CCC1CCCCC1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 4833797 OPTGITRTTQTYRB-UHFFFAOYSA-N 394.471 4.936 0 50 GJAA CCC(=O)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OC)cc2)c(C)s1 4978607 ZTIAKAMDPZCDAR-UHFFFAOYSA-N 396.468 4.900 0 50 GJAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1cc(C)oc1C 11844186 DNNKNRIHLFZBNQ-UHFFFAOYSA-N 382.548 4.622 0 50 GJAA CCn1nccc1C(=O)NCc1cc(Cl)cc2c(C)c(-c3ccccc3)[nH]c12 71747449 CEYWBQOTTLPUFB-UHFFFAOYSA-N 392.890 4.943 0 50 GJAA Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)c1 179913500 JHDWONKUVYELAB-NRFANRHFSA-N 392.499 4.792 0 50 GJAA O=C(c1csc(-c2ccoc2)n1)N(CCC(F)(F)F)Cc1ccccc1 191946967 NDFJGRWTYMHPGL-UHFFFAOYSA-N 380.391 4.998 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cn(C)nc3C)C[C@@H]12 245239776 MEPYNTVXLJQGPP-XAIRVXBLSA-N 392.543 4.648 0 50 GJAA Cc1ccc(Oc2ccccc2CNc2ccc3nnc(C(F)F)n3n2)cc1 301732410 TUEQJTVUKJNTTD-UHFFFAOYSA-N 381.386 4.775 0 50 GJAA CN1C[C@H](Cn2ccnc2-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1=O 1857709191 KBAIDDPLOQUAFR-GFCCVEGCSA-N 390.270 4.595 0 50 GJAA Cc1ccc(N[C@](C)(C(=O)NC[C@H]2CC[C@@H](N(C)C)CC2)c2ccccc2)cc1 2356145300 KMFQSNSQPMJJLF-ZWSUVBHBSA-N 393.575 4.559 0 50 GJAA Cc1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C 669082 HKUAMTFEOFWAMI-GOSISDBHSA-N 396.537 4.936 0 50 GJAA COc1cc(C=O)cc(Br)c1OC(=O)c1ccc(C(C)(C)C)cc1 1053153 ZHAIWJJYPWNPNU-UHFFFAOYSA-N 391.261 4.787 0 50 GJAA Cc1cc(Br)c(NC(=S)NC(=O)/C=C/c2ccccc2)cc1C 1123052 VCWBSEYZIWINRG-CMDGGOBGSA-N 389.318 4.592 0 50 GJAA O=C(CC[C@H]1CCCN(C(=O)C2=CCCC2)C1)Nc1ccc(C(F)(F)F)cc1 11842097 UGLFEHGWEBYBJK-OAHLLOKOSA-N 394.437 4.773 0 50 GJAA Cc1ccoc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67802943 QYIXYKQDYRFOTO-UHFFFAOYSA-N 383.831 4.649 0 50 GJAA Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O 95641932 FONSSTYHKIFEBM-UHFFFAOYSA-N 389.860 4.814 0 50 GJAA COc1cc(CNc2ncccc2O[C@@H](C)c2ccccc2)cc(OC)c1OC 170596933 DZHGNVCTQCLJLC-INIZCTEOSA-N 394.471 4.860 0 50 GJAA O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 225508389 CQSKGFBKFFRZCN-FQEVSTJZSA-N 384.464 4.683 0 50 GJAA COC(=O)[C@@H](C)Oc1ccc(-c2ncc3c(Cl)cc(C(F)(F)F)cn23)cc1 261495048 XLFBAKSRRSJFMT-SNVBAGLBSA-N 398.768 4.614 0 50 GJAA CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCO[C@H](c4cccnc4)C3)cc2s1 296548596 QRIPRHNUGFOZKK-AEFFLSMTSA-N 396.516 4.857 0 50 GJAA Cc1ccc(N2CCCC2=O)cc1NC(=O)N(C)[C@H]1CCCc2ccccc21 299779187 SUAKFUXXCDBEMX-NRFANRHFSA-N 377.488 4.663 0 50 GJAA C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@H]1C(=O)O 318576492 CJXLKGZDLUALHA-REWPJTCUSA-N 379.456 4.559 0 50 GJAA CN(C)c1ccc(-c2cncc(C(=O)Nc3cccc4c3CN(C3CC3)C4)c2)cc1 2325734831 PBLGDWCJGYGYOL-UHFFFAOYSA-N 398.510 4.545 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C 669811 OATXHOMUSPOYPO-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 943483 LDNFKGRACXOJOG-CEFACKQISA-N 399.512 4.710 0 50 GJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1ccccc1F 4676677 UPBHBKNZZPDLPJ-UHFFFAOYSA-N 386.492 4.644 0 50 GJAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1 4910597 KPXCJZXZXHTVCW-GOSISDBHSA-N 395.499 4.982 0 50 GJAA Cc1ccc(-c2cn3c(C(=O)N[C@H](C)c4csc(C)n4)csc3n2)cc1 11663384 XZBZPOYYSZRNTB-GFCCVEGCSA-N 382.514 4.627 0 50 GJAA O=C(Cc1ccc(F)cc1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 12282076 GCLUHCVUESWSHQ-QHCPKHFHSA-N 397.490 4.507 0 50 GJAA O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CC2=CCCCC2)s1 19840927 HIXNWAMQADCGIA-QGZVFWFLSA-N 395.528 4.949 0 50 GJAA CSc1cccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)c1 67834275 KBZJEMVHXYTDKA-IBGZPJMESA-N 396.556 4.938 0 50 GJAA CCCn1nccc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71738441 XLGXWTBYKUSXHK-KRWDZBQOSA-N 393.453 4.797 0 50 GJAA OCc1cccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)c1 72133033 YQJWUIIOHVMFSX-UHFFFAOYSA-N 377.831 4.535 0 50 GJAA CN1CCC(N(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 151019926 MGODORMMFVSBJN-UHFFFAOYSA-N 393.314 4.952 0 50 GJAA Cc1c(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)[nH]c2c(F)cccc12 215754364 HWZHIZJKFOEZRB-AWEZNQCLSA-N 376.435 4.839 0 50 GJAA CCOc1cccc2cc([C@@H](C)NC(=O)c3cnc(O)c4ccccc34)oc12 253536850 GJRXEHXCIDTAET-CYBMUJFWSA-N 376.412 4.576 0 50 GJAA COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccc(CN(C)C)cc2)c1OC 1506414188 WQDZSYNURFXGPV-HXUWFJFHSA-N 388.939 4.756 0 50 GJAA Cc1nsc(C)c1-c1noc(-c2cc(-c3ccco3)nc3onc(C)c23)n1 2325744770 IFXUSSKYRHWXSK-UHFFFAOYSA-N 379.401 4.582 0 50 GJAA CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1C 671891 BJVRMYAUTWDLKQ-LJQANCHMSA-N 394.500 4.861 0 50 GJAA O=C(OCc1ccccc1)Sc1nnc(-c2ccc(Br)cc2)o1 970481 DXFUSHBGVSFNHV-UHFFFAOYSA-N 391.246 4.928 0 50 GJAA CCOC(=O)COc1c(Cl)cc(-c2nc3ccccc3s2)cc1OC 1058763 GHTNBVMOFMYSJH-UHFFFAOYSA-N 377.849 4.567 0 50 GJAA CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1C 1120675 NPOGPUJOFMPCRF-UHFFFAOYSA-N 394.544 4.929 0 50 GJAA CCc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 1127398 LMPHCMIHHAOBTO-UHFFFAOYSA-N 397.500 4.559 0 50 GJAA COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 2736137 OWYVRUWHMOAZKH-CQSZACIVSA-N 395.480 4.947 0 50 GJAA COc1ccc(OC)c(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 4866857 GJWITRQPBIRDQM-UHFFFAOYSA-N 393.439 4.544 0 50 GJAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1C 11760337 NCVVSRNYOALEEL-IBGZPJMESA-N 390.483 4.528 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(C[C@H]2CC=CCC2)CC1 12589215 HCCVZGBVYBUKAP-KRWDZBQOSA-N 381.545 4.817 0 50 GJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1OC 20203058 GXJOACUBZRCGOH-DEOSSOPVSA-N 399.494 4.728 0 50 GJAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 21791114 VJDBPHQJABRXSK-GOSISDBHSA-N 396.441 4.830 0 50 GJAA CCO[C@H](C)c1nc(C(=O)Nc2cc(Br)c(F)cc2F)cs1 170604667 BQBQMVBGORQDFE-SSDOTTSWSA-N 391.237 4.534 0 50 GJAA Cc1noc(C)c1CCN[C@@H](CCCN1CCC(C)CC1)c1ccc(F)cc1 225509579 SOJZYXJPXMEQKU-QHCPKHFHSA-N 387.543 4.816 0 50 GJAA CC(C)N(C(=O)c1cccc(Oc2cnccn2)c1)[C@@H]1CCCc2cccnc21 374613078 QXOBXZJFDDBGFF-HXUWFJFHSA-N 388.471 4.592 0 50 GJAA C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(SC(F)F)cc1 2325743985 XMNIKCXCXBULIQ-ZDUSSCGKSA-N 379.476 4.946 0 50 GJAA O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 752212 ZBXWGZZDONHXLU-UHFFFAOYSA-N 378.419 4.931 0 50 GJAA Cc1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)CCCC3 1016462 YWRZAQVPMQXNSZ-UHFFFAOYSA-N 395.553 4.560 0 50 GJAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1 1098755 MDZMOBDNFOGMDZ-UHFFFAOYSA-N 391.246 4.608 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3cc(C)ccc3C)s2)cc1 2215368 PTCVFHQIWPSTHE-UHFFFAOYSA-N 398.488 4.777 0 50 GJAA Clc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCC5)cc1Cl 2785026 KXCOZVRSXFRDJA-UHFFFAOYSA-N 391.283 4.714 0 50 GJAA CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1 2878801 XJFZFDFEAZHSBF-UHFFFAOYSA-N 386.502 4.870 0 50 GJAA O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc(OC(F)F)cc1 4184298 LRVQOXYYSUQNPO-UHFFFAOYSA-N 392.452 4.756 0 50 GJAA COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5611818 ALTPZJDOUFZYFT-KNQAVFIVSA-N 391.858 4.986 0 50 GJAA O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 11788508 AASVMVMETAWPCN-OAQYLSRUSA-N 386.967 4.949 0 50 GJAA COC[C@H]1CCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 11816901 OQNJZVOSYROEHZ-KRWDZBQOSA-N 399.535 4.825 0 50 GJAA C[C@H](c1ccon1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 11818410 LPFDATRGAHMYHQ-LLVKDONJSA-N 386.864 4.537 0 50 GJAA COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)cc1 12434912 RGGOWBVBHZPPLO-HXUWFJFHSA-N 376.456 4.672 0 50 GJAA COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1 25583313 NWOGZKVGKUPAQP-QPPBQGQZSA-N 386.451 4.946 0 50 GJAA CCc1cc([C@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)on1 33086799 YRLYKKCAPYDLKG-MRXNPFEDSA-N 385.851 4.831 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cnccn2)ccc1O 65508498 NAIPMXWVELGISZ-INIZCTEOSA-N 386.455 4.525 0 50 GJAA COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O 227177382 SRHCHYQUCAFAHC-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA C[C@@H]1CN(c2ccccc2CN2CCCCC[C@H]2c2ccncc2)C[C@@H](C)O1 252477747 VAJSQJIBUOOABE-VIZSFHNOSA-N 379.548 4.813 0 50 GJAA Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 252498340 QZDXVMZISGLOQO-HNNXBMFYSA-N 394.397 4.772 0 50 GJAA CCc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(C)c(C(C)=O)c3c2)cc1 944066 DZMWRBQPYUMOEC-UHFFFAOYSA-N 391.876 4.960 0 50 GJAA C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1nccs1 1125079 XNUCRDQYQVTGBI-LLVKDONJSA-N 388.518 4.610 0 50 GJAA CCCCn1c(-c2ccco2)nc2c(sc3nc(C)cc(COC)c32)c1=O 4623952 QRBJFPWSEMWFGO-UHFFFAOYSA-N 383.473 4.521 0 50 GJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 11813576 ZLLRBLVVVWQFEP-HNNXBMFYSA-N 396.487 4.869 0 50 GJAA COc1cc(C)c(-c2nc(CN(C)C[C@@H]3Cc4ccccc4O3)c(C)o2)cc1C 12704892 BZWKFCPQXPIMGA-IBGZPJMESA-N 392.499 4.711 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1cccc(Cl)c1 22458438 UOQDDOHZXPSLRU-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA O=C(Nc1ccccc1F)c1ccc([C@H]2CCCN2Cc2cccnc2)s1 23145286 JGFPROYHWGDWCM-GOSISDBHSA-N 381.476 4.872 0 50 GJAA CC(C)(C)Oc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 115778716 ZNZCDJDQIYIJDI-LJQANCHMSA-N 390.430 4.748 0 50 GJAA Cc1sc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc1-c1ccc(F)cc1 153672674 HFMWPILMQOHMOW-UHFFFAOYSA-N 388.851 4.867 0 50 GJAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 170388794 CKDINTMCLAQRKH-GBXCKJPGSA-N 391.515 4.796 0 50 GJAA Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H]1CCCCc2ccccc21 170644058 MJCUSGJQKROARO-LJQANCHMSA-N 379.460 4.541 0 50 GJAA CC(C)CC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 591120340 PYBKJUKFGDTAIQ-UHFFFAOYSA-N 378.394 4.871 0 50 GJAA O=C([C@H]1CCOC2(CCC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 889852186 ITRSBTWIRGCGAP-KRWDZBQOSA-N 381.438 4.761 0 50 GJAA C(=C/c1ccccc1)\CN1CCC(C2CCN(Cc3cncs3)CC2)CC1 1857736348 PVOWVZVTNWDWSV-QPJJXVBHSA-N 381.589 4.781 0 50 GJAA Cc1nc(N[C@H]2CCOC3(CCCCC3)C2)c2cnn(-c3cccc(F)c3)c2n1 1875310923 HAUJFXQRYNYWOH-KRWDZBQOSA-N 395.482 4.557 0 50 GJAA CCN1CCN(c2ccc(NCc3cc4cc(Cl)cnc4o3)cc2C)CC1 2325750430 JYYJTTQXWVBWDG-UHFFFAOYSA-N 384.911 4.544 0 50 GJAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCCCc3cc(Cl)ccc32)CC1=O 2325820010 XWHLUBNIZOXGMO-QFBILLFUSA-N 396.918 4.619 0 50 GJAA Cc1noc(NC(=O)CCc2cccnc2)c1-c1cccc(C(F)(F)F)c1 2356170944 UIIVYVRGHSXLLN-UHFFFAOYSA-N 375.350 4.635 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1C 630034 NSXRYJLOQQRICO-MXXWWZHRSA-N 379.459 4.700 0 50 GJAA Cc1cc(C)n(C(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)n1 1073527 JCGQWUAETVQUJF-UHFFFAOYSA-N 376.847 4.760 0 50 GJAA Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 1204012 MHTBSWXRIIHADW-UHFFFAOYSA-N 376.387 4.960 0 50 GJAA CCOC(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)nc1C 1218004 BNTDFZOPFWKCAC-UHFFFAOYSA-N 394.496 4.789 0 50 GJAA Cc1ccsc1C(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12303862 WNRWZTBRMPTPSM-UHFFFAOYSA-N 397.588 4.749 0 50 GJAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 15080264 FHWBBKOVLMJYPM-GOSISDBHSA-N 394.906 4.581 0 50 GJAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H](NCCC1=CCCCC1)CC3 19743963 JVFPJRALXCXUFP-KRWDZBQOSA-N 397.588 4.911 0 50 GJAA N=C1S/C(=C\c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 19848105 XXCAZJSCFPKEHQ-KCBCAQTCSA-N 398.850 4.925 0 50 GJAA Cc1cc(C)c2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@@H]3C)c2c1 63869437 KDZMVPXINUCWRC-KRWDZBQOSA-N 376.504 4.921 0 50 GJAA CC(C)(C)c1ccnc2c1-c1nnnn1C2(Cc1ccccc1)Cc1ccccc1 72447033 HHQATINDBMTIDL-UHFFFAOYSA-N 395.510 4.575 0 50 GJAA CCCN(Cc1ccc(SC)cc1)C(=O)c1ccc([C@H]2CCCNC2)cc1 95375447 JCBVDDRWEZPLQL-NRFANRHFSA-N 382.573 4.928 0 50 GJAA O=C(c1ccnc(-c2cccc(OCc3ccc(F)cc3)c2)c1)N1CCCC1 97446918 YXIHHNJIQYOGRW-UHFFFAOYSA-N 376.431 4.703 0 50 GJAA O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1Cl 170646509 RWRMCWPQMVMVFN-OAQYLSRUSA-N 378.859 4.579 0 50 GJAA Cc1ccc(-c2noc([C@@H](C)Nc3ccc4c(c3)CCCC(=O)N4)n2)cc1F 171435527 ZKAJMKHWTLUFFF-CYBMUJFWSA-N 380.423 4.632 0 50 GJAA C[C@@H](c1ccco1)N(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1 225552449 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CCCOC(=O)c1c(NC(=O)COc2cccc(C)c2)sc(C)c1CC 2091397 HVUONBLWXSRODG-UHFFFAOYSA-N 375.490 4.512 0 50 GJAA Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 2437586 AWDVUPRBJALKDR-QPJJXVBHSA-N 377.300 4.771 0 50 GJAA CCCCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3)nc2cc1C 2852765 GEHHWPJBLVYBDJ-UHFFFAOYSA-N 379.508 4.704 0 50 GJAA COc1ccc(Cl)cc1Nc1nc(NC[C@H]2CCCO2)c2ccccc2n1 2876567 RTECYYUXOIJBGJ-CQSZACIVSA-N 384.867 4.626 0 50 GJAA COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4282028 WWODMUHSIJBPDI-RXVVDRJESA-N 390.464 4.777 0 50 GJAA O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CC4)cc3)nc2c1 5491386 RKCBFKAQHOFBCL-UHFFFAOYSA-N 381.435 4.809 0 50 GJAA CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 11096204 IIBFUFODIQUEFY-UHFFFAOYSA-N 378.944 4.523 0 50 GJAA Cc1cccc(NC(=O)CCC2CCN(C(=O)CSc3ccccc3)CC2)c1 12072524 YELVNKRNKNERFM-UHFFFAOYSA-N 396.556 4.745 0 50 GJAA Cc1cc(=O)oc2cc(CN(Cc3cccnc3)Cc3ccsc3)ccc12 55182688 CVXKGDPSHDFGQC-UHFFFAOYSA-N 376.481 4.760 0 50 GJAA 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4.695 0 50 GJAA CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C)OCCO3 4849581 WOPFGLSZCHHFIM-UHFFFAOYSA-N 394.496 4.608 0 50 GJAA CSCCCN1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12299966 XKNVNMPUVOGMHR-HNNXBMFYSA-N 388.499 4.889 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(Cc4ccccn4)C3)c2)c1 12431555 WPRVPLWIYMDIIC-JOCHJYFZSA-N 385.511 4.908 0 50 GJAA CC(C)n1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 12478955 LJCKXFCAMFISHW-KRWDZBQOSA-N 379.426 4.578 0 50 GJAA COc1cc(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)ccc1F 15077652 XTBFGXSJVZUIQC-UHFFFAOYSA-N 391.446 4.978 0 50 GJAA COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4cnn(C)c4)nc32)cc1 20602878 NWWNOAGAFXDEAR-UHFFFAOYSA-N 395.413 4.645 0 50 GJAA CCOc1ccccc1-c1nc(CN(C)Cc2ccc3nsnc3c2)c(C)o1 55344731 WRYHHFRJSRZLGJ-UHFFFAOYSA-N 394.500 4.685 0 50 GJAA O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(Cc2ccccc2)CC1 72113075 ATTQJMOSGZTEIE-UHFFFAOYSA-N 394.534 4.666 0 50 GJAA CCc1nc2cc(NC(=O)N3CCCC[C@@H]3c3cc(C)on3)ccc2n1CC 97098959 NDBVPZJVNYAUGX-GOSISDBHSA-N 381.480 4.674 0 50 GJAA Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@@H](C)[C@@H]1CCCNC1 151730810 LMUJVRORVQKMCU-QZTJIDSGSA-N 394.519 4.603 0 50 GJAA C[C@H](Oc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 238856329 VMZODJSVBNIWIK-ZDUSSCGKSA-N 392.293 5.936 0 50 GJAA CC(=O)Nc1ccccc1C1=NN(C(=O)c2ccsc2)[C@@H](c2cccs2)C1 239869359 CYTQNRKXNFWMOU-GOSISDBHSA-N 395.509 4.760 0 50 GJAA O[C@@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F 240551396 GTKZHJOIYCZNDS-IRXDYDNUSA-N 392.446 5.186 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 257347855 WMUMZOAFCDOTRW-QACFXDPSSA-N 390.564 4.686 0 50 GJAA CC[C@@H](c1ccccc1)N1CC(=O)N(c2cccc(C(F)(F)F)c2C)C1=O 328595244 OWPFQOGEIGSJGM-INIZCTEOSA-N 376.378 4.934 0 50 GJAA CCOc1ccc(N(CC2CC2)C(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 1875358304 QQYUFIWBCYWRGB-UHFFFAOYSA-N 393.462 4.682 0 50 GJAA COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)cc2O)cc1Cl 2325853676 YQTYAXJDOGSPMF-GFCCVEGCSA-N 376.836 4.606 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 686665 FSQZZVXASDXNGA-UHFFFAOYSA-N 394.283 4.698 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(N)c12 1074282 CRCMOQNQWQYZCV-UHFFFAOYSA-N 395.406 4.604 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 1200827 KYIGFWYFDRGGOC-MRVPVSSYSA-N 383.300 4.531 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccccc1-2 2918966 MHYRXDRRVNZTJZ-SFHVURJKSA-N 379.489 4.637 0 50 GJAA O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Br)o1 4512014 CCBPXNCVBZHDCW-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA O=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 4661322 PDIHCRDBIWOPNC-UHFFFAOYSA-N 393.358 4.858 0 50 GJAA COCCOc1ccc(Cl)cc1NC(=O)COc1cc(C)ccc1C(C)C 4867354 YNQSFWZIWCZFLF-UHFFFAOYSA-N 391.895 4.815 0 50 GJAA O=C(CSc1nc(-c2ccccc2)n[nH]1)n1c2c(c3ccccc31)CCCC2 5647836 HWRTWEQYWFNLRM-UHFFFAOYSA-N 388.496 4.738 0 50 GJAA C[C@H](CCN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 11913686 UOKLAXQCSHMGJM-KBMIEXCESA-N 388.511 4.552 0 50 GJAA Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2CCCC2)CC3)cc1 15063638 ULBILSRSIRQCMN-UHFFFAOYSA-N 390.527 4.641 0 50 GJAA CCOc1cc(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)ccc1O 15076733 DPXGRXSZWWBEEI-FQEVSTJZSA-N 391.515 4.761 0 50 GJAA CCOc1ccccc1N1CCN(Cc2nc(-c3ccc(C)s3)oc2C)CC1 20908813 CIEHDOIFGHRALV-UHFFFAOYSA-N 397.544 4.741 0 50 GJAA CSc1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 55244934 DPVAZHWWSGWJBA-GOSISDBHSA-N 383.561 4.591 0 50 GJAA Cc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)cs1 95364416 UJWNRDJPNDDALJ-FQEVSTJZSA-N 381.589 4.686 0 50 GJAA COC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 113569081 KNLBEIOOMMRGBU-CQSZACIVSA-N 399.491 4.993 0 50 GJAA O=C(Nc1cncc(Br)c1Cl)C1(c2cccc(Cl)c2)CC1 124692156 YDPNGNXIKVTJLU-UHFFFAOYSA-N 386.076 4.821 0 50 GJAA COc1ccc2cc([C@@H](C)NCc3cc(OC)c(OC)cc3OC)ccc2c1 170599380 CCHKOQONMQOZPW-OAHLLOKOSA-N 381.472 4.725 0 50 GJAA CC[C@H](CN(CC)C(=O)Nc1cccc(N2CCOC2=O)c1C)c1ccccc1 187417763 DNJAYLSCOJERIR-GOSISDBHSA-N 395.503 4.999 0 50 GJAA O=C(NC1CCCCCC1)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1 243112974 JFRAYTUBFWPLOD-UHFFFAOYSA-N 393.535 4.663 0 50 GJAA CC(C)[C@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)n1cccc1 263588783 YGUQQTRXBKWQGO-CQSZACIVSA-N 383.395 4.832 0 50 GJAA COC(=O)[C@@H](Sc1cc(Br)ccc1CN(C)C)c1ccccc1 498049310 JGZXGOZQWCUUJI-KRWDZBQOSA-N 394.334 4.517 0 50 GJAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)c1csc(-c2cccs2)n1 952967377 BAKWYQIZWGMWME-UHFFFAOYSA-N 396.541 4.761 0 50 GJAA O=C(O)[C@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1326503610 WDIRPPDBAOWXAD-SJORKVTESA-N 399.796 4.558 0 50 GJAA CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(Oc3cccc(C(C)C)c3)cc2)C1 1875310502 SFUJPOGKYVLWJX-LJQANCHMSA-N 394.515 4.543 0 50 GJAA Cc1cccc([C@H](CN(C)C)NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 1875334313 JJYFGARCSLYKCQ-LMNJBCLMSA-N 388.914 4.700 0 50 GJAA COc1ccc([C@H](CC(=O)N2C[C@@H]3C[C@]3(c3ccc(C)cc3)C2)C(F)F)cc1 2325782998 SEQIXFGATKNYRZ-GREBRCKQSA-N 385.454 4.543 0 50 GJAA CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C(=O)OC(C)C)cc1 668937 DSMWNMWUKUDDGO-KRWDZBQOSA-N 387.501 4.660 0 50 GJAA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc(Cl)s1 1134910 ORUSHQHWABQCQN-UHFFFAOYSA-N 395.263 4.912 0 50 GJAA O=C(NCc1ccccn1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 1144362 OGNLGCYGYYXCDZ-UHFFFAOYSA-N 387.266 4.897 0 50 GJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 1425131 KSINEUOJPAEPLZ-KRWDZBQOSA-N 394.515 4.791 0 50 GJAA CN(NC(=S)Nc1ccc(Cl)cc1)C(=S)Nc1ccc(Cl)cc1 1440899 UHYRJOBLCGHRAP-UHFFFAOYSA-N 385.345 4.524 0 50 GJAA Nc1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 2519717 GMCCAQCUFDMXGL-JGVFFNPUSA-N 385.889 4.785 0 50 GJAA O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccco1 2954491 QKOPCTUNZZZESK-UHFFFAOYSA-N 397.843 4.868 0 50 GJAA O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 2986773 PBPMWWJPXHCQIN-UHFFFAOYSA-N 377.399 4.871 0 50 GJAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2=O)cc1 4809623 LSDPOIXDPHLPDR-LJQANCHMSA-N 382.463 4.558 0 50 GJAA CCOc1ccccc1-c1noc(CCCC(=O)Nc2cccc(Cl)c2)n1 4839413 BDUUTNWVWIPHHS-UHFFFAOYSA-N 385.851 4.750 0 50 GJAA O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCc2sccc2C1 12595471 FMTFTXIKLYJMGH-LJQANCHMSA-N 391.492 4.584 0 50 GJAA O=C(c1ccc(Cl)s1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 14955963 WPZRCONBYRHPKA-HXUWFJFHSA-N 392.927 4.669 0 50 GJAA O=C(c1ccc([C@H]2CCCN2Cc2ccoc2)s1)N1CCCC(F)(F)C1 23367409 GXQOLOHGWCCZMW-OAHLLOKOSA-N 380.460 4.550 0 50 GJAA COc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 42489180 FHDUBMBAUPBRNH-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCCc2cccnc2)n1 65410707 SRPZJIITILUOOY-UHFFFAOYSA-N 385.515 4.634 0 50 GJAA CCc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100985184 KEKTUTWEECCLHT-GOSISDBHSA-N 381.277 4.659 0 50 GJAA O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CCN(C2CCCCC2)CC1 176283694 QYKDDDCBRDYZBC-UHFFFAOYSA-N 399.457 4.546 0 50 GJAA Cc1noc(-c2ccc(C(=O)N3CCCSc4ccc(Cl)cc43)cc2)n1 176768516 YROFLHVMCHJLIH-UHFFFAOYSA-N 385.876 4.841 0 50 GJAA CC(C)c1nc2ccc(NC(=O)N[C@H]3CCO[C@@H](c4cccnc4)C3)cc2s1 296548599 QRIPRHNUGFOZKK-FUHWJXTLSA-N 396.516 4.857 0 50 GJAA COc1ccc2c(c1)cc(C(=O)N1CCCC[C@H]1CCc1cccs1)n2C 952976855 UYQMXPUAPYOVKU-KRWDZBQOSA-N 382.529 4.876 0 50 GJAA CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2ccc(-c3ccccc3)cc2)n1 952982552 YGNGLNQQWCLZBW-FQEVSTJZSA-N 375.472 4.766 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CCCC[C@H]3c3ccc(Cl)nc3)ccc2N1 2325789856 SHSSUIQDRCMFDC-SFHVURJKSA-N 398.894 4.769 0 50 GJAA O=C1C[C@@H](c2ccccc2I)c2ccc3ccccc3c2N1 727820 RHMLSWBIYDCWOH-INIZCTEOSA-N 399.231 4.919 0 50 GJAA C[C@@H](C(=O)Nc1ccccc1Br)N1C(=O)c2cccc3cccc1c23 1061862 FQWREESEQIZLNA-LBPRGKRZSA-N 395.256 4.590 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 1218352 OZZCPYKIJZNVFX-UHFFFAOYSA-N 390.155 4.609 0 50 GJAA O=C(NCC(=O)c1cccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 3330708 ORFJTTUTTPQOTO-UHFFFAOYSA-N 380.252 4.928 0 50 GJAA Cc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 5065533 RAXVJGUVVBIPCH-UHFFFAOYSA-N 383.517 4.577 0 50 GJAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1CCCC[C@H]1C(=O)O 5094687 PWIGSLKLZDUOPX-DLBZAZTESA-N 380.469 4.793 0 50 GJAA CSCCCN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12054572 IPAONOFVFGIZLE-LJQANCHMSA-N 382.573 4.549 0 50 GJAA Cc1cc(CN(C)C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)on1 12575088 ACCWTIRPAIYMRC-UHFFFAOYSA-N 395.846 4.641 0 50 GJAA CCOC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 15021659 KXDKACKOPKUCBU-UHFFFAOYSA-N 382.463 4.900 0 50 GJAA in-vitro CC[C@H](C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3C)c2)cc1 17078356 WYQBSZUHYQDTME-INIZCTEOSA-N 383.517 4.554 0 50 GJAA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@@H]2C1 18241184 HQPNSBBYHKECIY-KBRIMQKVSA-N 396.874 4.518 0 50 GJAA CC(C)(C)c1ccc(Cn2c(=N)n(C[C@@H](O)c3ccco3)c3ccccc32)cc1 19707758 MOUMGPWYIUPMPW-OAQYLSRUSA-N 389.499 4.595 0 50 GJAA CCCc1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 21720007 MZNFJTPEOSUFSZ-NRFANRHFSA-N 380.492 4.753 0 50 GJAA Cc1ccc2nc(-c3cnc(-c4ccccc4)nc3)c(C)c(C(=O)N(C)C)c2c1 63847768 RHFZEYXPXZFLJP-UHFFFAOYSA-N 382.467 4.677 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n1 72116129 OIWGLJXHQSQNEE-UHFFFAOYSA-N 398.417 4.883 0 50 GJAA COCCOc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl 126461484 KVRCTZNYLDYBOO-CQSZACIVSA-N 387.867 4.897 0 50 GJAA Cc1cccn2c(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cnc12 132501063 IUWJOBGCBUPQGF-UHFFFAOYSA-N 397.544 4.502 0 50 GJAA Cc1nc(Cl)ccc1NC(=O)N1CCC[C@H](COc2ccccc2F)C1 299781947 RYBDZLFNBTXFKI-AWEZNQCLSA-N 377.847 4.505 0 50 GJAA O=C(Cc1c[nH]c2ccccc12)OCc1csc(CCc2ccccc2)n1 753437163 MXPMMYCGNLDDKV-UHFFFAOYSA-N 376.481 4.696 0 50 GJAA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc2ncsc2c1 952972593 UJHSUWDKBJPAFF-UHFFFAOYSA-N 379.510 4.904 0 50 GJAA COc1ccc(-c2oc3ccc(-c4nc(C(C)C)no4)cc3c2CC(=O)O)cc1 1776111588 SSZIARSIRRMESR-UHFFFAOYSA-N 392.411 4.909 0 50 GJAA Cc1cc(Br)c(O)c(NC(=O)[C@H]2C[C@@](F)(c3cccc(F)c3)C2)c1 2325840946 ZGJQBFSYCFUZHZ-CKSWESSHSA-N 396.231 4.816 0 50 GJAA CN1[C@@H](CC(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C 813348 YPVMVWFHOJLRSK-SFHVURJKSA-N 387.321 4.786 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 871592 LCQVRNLJPLTZRY-ZCOIRKDISA-N 393.486 4.643 0 50 GJAA biogenic COc1cccc(C(=O)Oc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)c1 1076445 KTIIWVIJLFSRRE-UHFFFAOYSA-N 390.366 4.827 0 50 GJAA Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)cc2oc1=O 1134381 XUMDDNVYEKYWQU-UHFFFAOYSA-N 377.209 4.890 0 50 GJAA O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1ccccc1F 1192382 GPALROKKUPQWGD-ATVHPVEESA-N 379.412 4.811 0 50 GJAA CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 2366892 WVCQBPYTXPAHKH-UHFFFAOYSA-N 397.287 4.596 0 50 GJAA O=C(c1cccc(Br)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 2585617 ADSONFOHTBOVIU-UHFFFAOYSA-N 395.467 4.561 0 50 GJAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2-c1ccccc1 2733631 DXANVJSJXQDAFN-UHFFFAOYSA-N 377.831 4.836 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 4175724 XYBGJMUFSNRMIX-QGZVFWFLSA-N 394.327 4.657 0 50 GJAA COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C 4841999 CRJJQLMCSSWUQM-OAHLLOKOSA-N 398.528 4.684 0 50 GJAA CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12297199 WCEPCTHBOMZXIV-OAQYLSRUSA-N 379.479 4.518 0 50 GJAA CC(=O)c1ccc(N2CCN(C(=O)c3oc4c(C)c(C)ccc4c3C)CC2)cc1 12320197 AISNMGNALGXLHN-UHFFFAOYSA-N 390.483 4.523 0 50 GJAA O=C(c1cn(C2CCCCCC2)nn1)N1CCCC[C@H]1CCc1ccccc1 12758161 DIBVWHJDOZKJPY-FQEVSTJZSA-N 380.536 4.801 0 50 GJAA C[C@@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1 18030537 BZKTYZWUZLSIMQ-WMPMRBLUSA-N 393.486 4.682 0 50 GJAA CC(C)c1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(Cl)cc3n2)cn1 63857069 IQVZNIBMLNOZBW-UHFFFAOYSA-N 380.879 4.705 0 50 GJAA C[C@@H](c1ccc(-c2c(-c3ccccc3)ncn2CCCN(C)C)cc1)N(C)C 65405068 OKFDFZFTRYMFMZ-IBGZPJMESA-N 376.548 4.791 0 50 GJAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCOCC2)cc1 72441996 QIVUKJDYRGWSLL-UHFFFAOYSA-N 386.451 4.671 0 50 GJAA CC(C)(C)Nc1ccccc1NCC(=O)Nc1ccccc1Br 170609035 YLSBDTGLKPBBFX-UHFFFAOYSA-N 376.298 4.710 0 50 GJAA Cc1[nH]c(=O)c(C(=O)N2CCCCC[C@H]2c2ccco2)cc1-c1ccccc1 170654047 BVAILFRNHWFTJO-FQEVSTJZSA-N 376.456 4.701 0 50 GJAA COc1ccccc1-c1nc(CN2CCCN(C(C)=O)c3ccccc32)cs1 174866516 ZTONEQMLSRCUIQ-UHFFFAOYSA-N 393.512 4.582 0 50 GJAA CCOc1ccc([C@@H]2CCCN2[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 248380688 QWVJZHKGDWWDDA-JKSBSHDWSA-N 384.495 4.627 0 50 GJAA C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@@H]1COc2ccccc21 755161075 WUPMRZBMNSIHIH-KKSFZXQISA-N 395.462 4.591 0 50 GJAA C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(C(F)F)nc3)cc2F)C[C@@H](C)O1 850450170 DPQSUQGKLIMIJS-MJBXVCDLSA-N 379.426 4.945 0 50 GJAA O=C(COC(=O)c1ccccc1SCc1cscn1)c1cccc(F)c1 928985286 AIMJAQGLDFGXNS-UHFFFAOYSA-N 387.457 4.614 0 50 GJAA CCC(=O)Nc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)c(C)c1 952962349 DWUAQOVSJZUTSC-QFIPXVFZSA-N 397.494 4.648 0 50 GJAA C[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 958528065 SLJCYEDXGJJBDY-YDGQEPMXSA-N 393.483 4.755 0 50 GJAA CCOc1cc(CNc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 679357 VCPBLASEFYZTCH-UHFFFAOYSA-N 377.440 4.975 0 50 GJAA FC(F)Oc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 1051502 QNJUYGJRLUZRPY-JKSUJKDBSA-N 376.794 4.679 0 50 GJAA COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 1128516 LAZVHAOWTQPBAK-IRXDYDNUSA-N 375.259 4.740 0 50 GJAA CC(=O)c1sc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)nc1C 2836861 SEBGUQKLFIKUAP-UHFFFAOYSA-N 390.848 4.732 0 50 GJAA O=C(c1ccccc1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 2847271 DTXYMQJLZWEPNY-UHFFFAOYSA-N 394.474 4.852 0 50 GJAA COc1ccc(OC)c2c(C)cc(N3CCN(c4cccc(C)c4C)CC3)nc12 4982185 JJXYNMAJSJGMTF-UHFFFAOYSA-N 391.515 4.504 0 50 GJAA Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Oc4ccccc4)cc3)ccc12 5013254 XKJPAKAIYRDYOM-UHFFFAOYSA-N 386.403 4.900 0 50 GJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSc2ccccc2)C1 11818180 NVALDYYMCUTBAO-OAQYLSRUSA-N 396.600 4.500 0 50 GJAA O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1ccc(C(F)(F)F)cc1 11880716 HAESREXGKIHRHP-SFHVURJKSA-N 394.412 4.515 0 50 GJAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 12380858 UTPBGABRDVWSIN-HNNXBMFYSA-N 394.858 4.998 0 50 GJAA Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F 13320323 BSABVWBLSFHXPP-UHFFFAOYSA-N 382.266 4.795 0 50 GJAA S=c1oc(-c2cccc(Br)c2)nn1CNc1ccc(Cl)cn1 19800778 WHWVGVSEDKURJU-UHFFFAOYSA-N 397.685 4.753 0 50 GJAA CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 20536092 CTMZIJYDQLYSAO-XMMPIXPASA-N 383.495 4.909 0 50 GJAA Fc1ccc2nc(CN3CCc4c([nH]c5ccccc45)[C@H]3c3ccccn3)[nH]c2c1 20600184 ZHWRMGUEVDORDH-XMMPIXPASA-N 397.457 4.726 0 50 GJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(OC)c1 42881838 PTZAOSRQMFCTFH-SFHVURJKSA-N 395.478 4.613 0 50 GJAA COc1ccc2cc([C@H]3CN(c4ccc(-c5ccccc5)nn4)CCO3)ccc2c1 71751293 BOXUAJQFAJWSKR-XMMPIXPASA-N 397.478 4.883 0 50 GJAA Cc1c[nH]c(CN(C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)n1 72423558 YHZYIMHWMPSAOW-UHFFFAOYSA-N 387.487 4.543 0 50 GJAA CC1(C)CC(=O)C2(Cc3ccccc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)C1 230108279 JEWFMOLKHLSBHQ-UGKGYDQZSA-N 387.523 4.940 0 50 GJAA NCCCc1noc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 1875335976 NWFFYGALPXCYCE-UHFFFAOYSA-N 388.427 4.608 0 50 GJAA Cc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(N)=O)c1C 690045 JXINKDFYEQYHAG-UHFFFAOYSA-N 392.480 4.825 0 50 GJAA CC(=O)c1cccc(NC(=O)CSCc2cccc(Br)c2)c1 763020 MJJYGSHHIRZKQK-UHFFFAOYSA-N 378.291 4.524 0 50 GJAA O=C(CSc1nccc(-c2ccco2)n1)Nc1c(Cl)cccc1Cl 2790116 OZXRGBHAEIJPBU-UHFFFAOYSA-N 380.256 4.774 0 50 GJAA COc1ccccc1-c1noc(CCC(=O)Nc2cc(Cl)ccc2Cl)n1 4785321 YLQHVMCMUWSLOD-UHFFFAOYSA-N 392.242 4.623 0 50 GJAA CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 4868187 AUQVHDVPCBLJQJ-UHFFFAOYSA-N 388.467 4.610 0 50 GJAA CCN(C(=O)CCCOc1cc(C)c(OC(C)=O)c(C)c1C)C1CCCCC1 5672086 AAPRLNKTNVHWTO-UHFFFAOYSA-N 389.536 4.877 0 50 GJAA O=C(Nc1ccc(-c2noc(-c3ccncc3)n2)cc1)c1cccc(Cl)c1 6703148 LRPGIPUBGRFXOW-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@@H](C)Cc3ccccc3F)CC2)c1 11709137 FZFJRRUYCKLWBD-SFHVURJKSA-N 398.522 4.896 0 50 GJAA Cc1ccc(C2(c3noc(CN(C)CC[C@@H]4CCCCO4)n3)CCCC2)cc1 12385598 DQHZWRJAAWYWKP-FQEVSTJZSA-N 383.536 4.629 0 50 GJAA O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccncc1 14959935 YMEKWKHDKMLMJB-INIZCTEOSA-N 398.384 4.501 0 50 GJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)CCc2ccccn2)o1 14981349 FXPXKKZPPUWYND-UHFFFAOYSA-N 390.462 4.649 0 50 GJAA O[C@@](c1ccc(F)cc1)(C1CCCCC1)[C@@H](CN1CCOCC1)c1ccccc1 19229377 KIELZMVDBJNNDM-LOSJGSFVSA-N 397.534 4.710 0 50 GJAA O=C(c1cccc(F)c1)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 20775433 IFRPPVDOBCLLTK-UHFFFAOYSA-N 395.522 4.518 0 50 GJAA CCOC(=O)N1CC=C([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 65743079 ZORGYPXITGWTSB-FQEVSTJZSA-N 382.891 4.754 0 50 GJAA in-vitro CCN(CC)CC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 71769352 PJFBFKAHPYYWKU-HSZRJFAPSA-N 378.560 4.571 0 50 GJAA CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3C[C@H]4CC[C@H]3C4)c2C)cn1 101749159 CVVVOMNSXWZMGM-HKUYNNGSSA-N 388.515 4.750 0 50 GJAA Cc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1ccccc1F 120096357 DMFHPVRKZPRKDT-UHFFFAOYSA-N 378.382 4.706 0 50 GJAA COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 170618958 PHKVIRMTMAZKOL-AVRDEDQJSA-N 378.403 4.978 0 50 GJAA Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)NC1[C@H]2CCCC[C@H]12 239637044 BILSWOJHKFDVQL-MUPNANLLSA-N 396.535 4.615 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccncc1)CC(=O)O2 253396414 BBYRAVVBSGDVAT-QGZVFWFLSA-N 383.403 4.604 0 50 GJAA biogenic Cc1cc(-n2cncn2)ccc1C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 464223807 OCSUIEOTRYZMNQ-DEOSSOPVSA-N 394.478 4.516 0 50 GJAA Cc1nc([C@H](C)N(C)C(=O)CCCc2nc(-c3ccccc3C)no2)c(C)s1 952864428 YVGYEXJXGWQFEF-AWEZNQCLSA-N 398.532 4.661 0 50 GJAA Cc1ccc(-c2nc([C@@H](C)Oc3ccc(Br)cc3Cl)no2)cn1 1875331723 VSJSMQOWELEWOI-SNVBAGLBSA-N 394.656 4.996 0 50 GJAA Cc1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C 669084 HKUAMTFEOFWAMI-SFHVURJKSA-N 396.537 4.936 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC(C)CC1)CCC2 722346 PFAVTPHAQWHJIJ-UHFFFAOYSA-N 382.529 4.670 0 50 GJAA O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccs1 1093084 BVSUXXFEEPVCAL-UHFFFAOYSA-N 397.456 4.822 0 50 GJAA O=C(CSC1c2ccccc2Oc2ccccc21)Nc1cccc(C(=O)O)c1 1110564 QDMHFSRJHRLOHW-UHFFFAOYSA-N 391.448 4.952 0 50 GJAA O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1 1153731 LBKUFSNMRRKETL-UHFFFAOYSA-N 398.246 4.913 0 50 GJAA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 4078496 KIJBHJXOGXTLGD-QGZVFWFLSA-N 375.241 4.676 0 50 GJAA CCOC(=O)c1c(NC(=S)N2CCCCCC2)sc2c1CCCCC2 5979962 HQFBEHFRCIKCHI-UHFFFAOYSA-N 380.579 4.767 0 50 GJAA CN(Cc1nccs1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1 11945075 LLYBEWHIZQGQQP-GOSISDBHSA-N 386.904 4.683 0 50 GJAA Cc1c([C@H](C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccc(F)cc1F 12753835 PCARLZZJTIKMPE-NSHDSACASA-N 377.822 4.669 0 50 GJAA O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2ccco2)CC1 15067602 UUODYGBZVDPNLQ-UHFFFAOYSA-N 378.447 4.936 0 50 GJAA O=C(O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 34884331 PVCTYSQBVIGZRU-KRWDZBQOSA-N 389.879 4.840 0 50 GJAA investigational COc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1O 82039453 FGNMRRVCHAEGFG-INIZCTEOSA-N 393.405 4.515 0 50 GJAA Cc1nccn1[C@H](C)Cc1nc(C2CC2)nn1-c1cc(Cl)ccc1Cl 96131069 QVLPPTUXEYCOMX-LLVKDONJSA-N 376.291 4.760 0 50 GJAA COc1ccc(CN(C(=O)Nc2cc(C3CCC3)nn2C)[C@H](C)C2CC2)cc1 153584571 LHJOSYBBAHQYIZ-OAHLLOKOSA-N 382.508 4.529 0 50 GJAA O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cc1OC(F)(F)F 170608652 QWQZBPWYGHZJFF-UHFFFAOYSA-N 392.146 4.668 0 50 GJAA Cc1ccc2c(C)c(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)oc2c1 238950235 XGTZWDXJIDJHJD-UHFFFAOYSA-N 391.854 6.748 0 50 GJAA Cc1nc(COc2ccc(/C=C/C(=O)N3C[C@H]4CCC[C@@H](C4)C3)cc2)cs1 253419330 MTIVYKQJJRGRMZ-RJHNKFTKSA-N 382.529 4.692 0 50 GJAA C=CC(=O)N(C1CCC2(CCCC2)CC1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 1875386989 IMWQXUYMXHLKRQ-NRFANRHFSA-N 397.563 4.555 0 50 GJAA CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC(C)C)C1 667510 CROXCYAFGVHAHP-ZDUSSCGKSA-N 375.490 4.982 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1 705167 ZRXUIRVZIKERPX-ZQFKLAOWSA-N 379.459 4.566 0 50 GJAA biogenic O=c1c2c([nH]c(=S)n1Cc1ccco1)-c1ccccc1CC21CCCCC1 1306110 RUPPYUHZANZJAI-UHFFFAOYSA-N 378.497 4.972 0 50 GJAA COC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CCCC2 1772508 VFEUVYDTKFVSDX-UHFFFAOYSA-N 387.501 4.520 0 50 GJAA COc1cc(CN2CCC(N3CCCCC3)CC2)ccc1OCc1ccccc1 4745796 BZQBUMOJECYNFP-UHFFFAOYSA-N 394.559 4.725 0 50 GJAA COC(=O)c1c(NC(=S)NC2CCCCCC2)sc2c1CC[C@@H](C)C2 6201429 MZNPZUHBUSLFBV-GFCCVEGCSA-N 380.579 4.669 0 50 GJAA N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)S1 7003265 CLPJXTAWONJBBA-NVNXTCNLSA-N 379.268 4.711 0 50 GJAA Cn1c(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc2ccccc21 11910601 KHQWMMFBZXGLKH-UHFFFAOYSA-N 384.483 4.588 0 50 GJAA CN(C(=O)c1cccc2ccccc12)[C@H]1CCCN(C2Cc3ccccc3C2)C1 11933860 JTCKNBQBLZQMFG-QFIPXVFZSA-N 384.523 4.544 0 50 GJAA CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12439604 UWCOPBVPRLUZSB-LJQANCHMSA-N 389.499 4.812 0 50 GJAA CCCn1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c(C)n1 39364602 CZEYBPGWQTZTHP-NRFANRHFSA-N 395.526 4.730 0 50 GJAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ncoc3C(C)C)CC2)c1 67739507 ULZLMRVVNJHKGH-UHFFFAOYSA-N 378.476 4.516 0 50 GJAA C[C@@H](CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149229984 WGYWHJPQFQGLOQ-ZDUSSCGKSA-N 378.497 4.781 0 50 GJAA C[C@H](N[C@H]1C[C@H]2CC[C@H]1C2)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 239274977 BAGQROZBNZFPGW-AEYNODFNSA-N 384.007 6.345 0 50 GJAA O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@H]1CCc1ccccn1 299799586 SMJGKTSYFKINKA-FQEVSTJZSA-N 376.460 4.756 0 50 GJAA CC1=C[C@H](C)[C@@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C 299872776 HNJMMPWWHNRBHV-CSTDLZQWSA-N 397.559 4.622 0 50 GJAA CC(C)COc1cccc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1 1459485904 QOHWRJQVUBJTBG-NRFANRHFSA-N 386.923 4.612 0 50 GJAA COc1ccc(C(=O)N[C@H](C)C2=CCCCC2)cc1Oc1cc(F)cc(CN)c1 1857694047 YBTOSHRNXCHOFN-OAHLLOKOSA-N 398.478 4.704 0 50 GJAA CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cc(OC4CCC4)ccn3)cc2c1 1875311179 PEXLJHBIQOSHCX-UHFFFAOYSA-N 377.488 4.722 0 50 GJAA Cc1cccc([C@H](CN(C)C)NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 1875334311 JJYFGARCSLYKCQ-CUWPLCDZSA-N 388.914 4.700 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 705168 ZRXUIRVZIKERPX-QQNJPBSNSA-N 379.459 4.566 0 50 GJAA biogenic Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@H](C)C3)c1 1064411 WTYUVFGJECPZLZ-HNNXBMFYSA-N 382.529 4.670 0 50 GJAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1128526 XJLRNMXHWGJGHQ-UHFFFAOYSA-N 379.787 4.558 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 1225942 YKHIQTJPFXHGRX-LQDNNDEMSA-N 399.877 4.911 0 50 GJAA biogenic FC(F)(F)c1cccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 1454303 JRGMEOMARWGMES-UHFFFAOYSA-N 399.869 4.878 0 50 GJAA CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(N4CCCC4)cc3)c12 2853927 OICPAXLHXDECLG-UHFFFAOYSA-N 391.467 4.526 0 50 GJAA C[C@H]1CC(=O)c2cnc(Nc3nc(-c4ccccc4)c4ccccc4n3)nc2C1 9111327 KRDMDJNKTFOOBC-CQSZACIVSA-N 381.439 4.595 0 50 GJAA O=C(CCC1CCN(C(=O)c2cccc(Cl)c2F)CC1)Nc1ccccc1 12053270 YISQXSRCYDDNRT-UHFFFAOYSA-N 388.870 4.750 0 50 GJAA Cc1ccc(Cn2c(CCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1 12637464 KXTBFWXEMSGYBT-UHFFFAOYSA-N 397.522 4.685 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 16602284 VJKJBJSNSYYODP-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA O=C(CC[C@@H]1CCCN(C/C=C/c2ccccc2)C1)NCc1ccccc1F 20540626 NZHMMETXQXTWFM-ISPXXFMDSA-N 380.507 4.648 0 50 GJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)C5N=N5)[C@@]4(C)CC[C@H]32)C1 253488297 AEBXALXJAASRTA-PKRXZDKWSA-N 384.520 4.858 0 50 GJAA O=C(Nc1ncc(C2CCNCC2)s1)[C@H]1C[C@H]1c1cccc2ccccc12 262326288 RBMFSSDMNPSYIT-OALUTQOASA-N 377.513 4.506 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H]1C[C@@]1(C)C(C)C)CC2 476411844 QDMJPKBOOBDSKQ-PBXXJUDPSA-N 393.527 4.860 0 50 GJAA O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(Cl)cc(C(F)(F)F)c1 1357618827 WSMGMSMSWSHCCJ-UHFFFAOYSA-N 393.796 4.517 0 50 GJAA Cc1ccc2c(C(=O)N3CCC4(CC3)OCCc3ccsc34)cc(C)nc2c1 1704298126 FOBHSEZOCLOZMP-UHFFFAOYSA-N 392.524 4.617 0 50 GJAA COc1ccc(-c2cc(CN3CCC[C@H](OC)C3)cc(Cl)c2OC)cc1F 2356168655 AAHQDFGCAZHQGS-INIZCTEOSA-N 393.886 4.774 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc3ccccc23)NC(=S)N1 799826 RYGFZJCKDSPOTL-OAQYLSRUSA-N 387.508 4.580 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cnc(Cl)s1 1394676 MJTBGOYOGLGTPX-UHFFFAOYSA-N 387.219 4.909 0 50 GJAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1 1944015 CAEQREDUPFVGEJ-UHFFFAOYSA-N 399.443 4.748 0 50 GJAA COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4282027 WWODMUHSIJBPDI-GHTZIAJQSA-N 390.464 4.777 0 50 GJAA CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 4833446 SVFQBMQBWSEPHF-UHFFFAOYSA-N 393.508 4.616 0 50 GJAA Cc1ccn2c(CN[C@@H](C)c3ccccc3)c(C(=O)N3CCCCCC3)nc2c1 12307342 YLMDXFWILQZWJR-IBGZPJMESA-N 390.531 4.510 0 50 GJAA COc1cccc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)c1 12373618 NKSPPJKAPHZRID-UHFFFAOYSA-N 399.494 4.890 0 50 GJAA COCc1ccc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)o1 12591784 AJFHDAVUQBQYOD-IBGZPJMESA-N 389.495 4.773 0 50 GJAA CC[C@@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 20119222 NBHULHBCONFEIP-ISKYKNHCSA-N 379.279 4.765 0 50 GJAA Cc1cccc(-c2cccc(-c3ccn([C@H](C)C(=O)Nc4nccs4)n3)c2)n1 20707041 WQMFFCBSXYLPLX-OAHLLOKOSA-N 389.484 4.577 0 50 GJAA COc1cccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)c1 22135306 MVNVYRWEGUYUQS-HSZRJFAPSA-N 381.435 4.835 0 50 GJAA COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)c2cn(C)c(C)n2)cc1OC 252482413 DETANKPSJQTBFQ-UWJYYQICSA-N 393.531 4.689 0 50 GJAA O=C(NC1CCN(C2CCSCC2)CC1)c1cccc(-c2cccc(F)c2)c1 952974851 BTNYSIPDDPVIAN-UHFFFAOYSA-N 398.547 4.583 0 50 GJAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(CC(F)(F)F)cc1 1857677962 GVVQTDNPHGETFU-BDTNDASRSA-N 389.461 4.750 0 50 GJAA O=C(Nc1cccc(-c2nnco2)c1)N1CCC(c2cccc3cnccc23)CC1 1875263916 FREOCDLSEYIHEK-UHFFFAOYSA-N 399.454 4.696 0 50 GJAA COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2Cl)sn1 1875355012 XFNAYAWODBDIMJ-KRWDZBQOSA-N 393.295 4.978 0 50 GJAA CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1CCCCC2 985711 ARRHGHKPVAWUFB-UHFFFAOYSA-N 380.579 4.813 0 50 GJAA Cc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccccc3)n2)cc1 1121284 ZNTRPSKBWVCPFP-FMIVXFBMSA-N 379.510 4.645 0 50 GJAA COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O 1131507 ZUHNSEPBGTTZQI-UHFFFAOYSA-N 376.364 4.589 0 50 GJAA biogenic CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 1171425 OISHHZAQEDHUAO-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA CCCCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 2910651 FFUMWSDMCXPEAJ-UHFFFAOYSA-N 398.553 4.722 0 50 GJAA Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 2955869 ZGCILWPDOZZFAJ-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA COC(=O)[C@@H](NC(=O)c1ccc2nc(C3CCCCC3)oc2c1)c1ccccc1 11839802 RHXOLDQLDAQJFC-FQEVSTJZSA-N 392.455 4.520 0 50 GJAA CCCCc1nc2cc(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)ccc2o1 11938468 AXGHBBCJYXYMJA-KRWDZBQOSA-N 377.366 4.599 0 50 GJAA Cc1cccc(NC(=O)N2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)c1C 12074369 PXPIJCUAPDUTRG-QGZVFWFLSA-N 399.922 4.631 0 50 GJAA Cc1nc(NCc2ccoc2)sc1-c1ccn(C2Cc3ccccc3C2)n1 12327383 LKQKMHUIBFQXPH-UHFFFAOYSA-N 376.485 4.860 0 50 GJAA COc1ccc(-c2nc(CN(CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1C 12714165 PWCDQOZEFNDQKH-FQEVSTJZSA-N 384.520 4.748 0 50 GJAA CN(C(=O)c1coc(COc2cccc(F)c2)n1)[C@H]1CCCc2ccccc21 15074486 KLWKYXDXSLHVPE-FQEVSTJZSA-N 380.419 4.542 0 50 GJAA Cc1ccc(-c2nc(N[C@H](C)c3ccncn3)ncc2-c2ccc(O)cc2)cc1 65493883 VSCGOLDLNXTAON-MRXNPFEDSA-N 383.455 4.788 0 50 GJAA Cc1ncnc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1C 67974944 WZZVEOYJJGSCOM-UHFFFAOYSA-N 381.863 4.518 0 50 GJAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccccc1-c1ccccc1 827879932 UZWCAJFRLZBPCG-SFHVURJKSA-N 391.515 4.608 0 50 GJAA COC1(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)CCC(F)(F)CC1 888101037 QIGUIWMSDHMIOT-UHFFFAOYSA-N 391.414 4.504 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C1)CC2 2356147122 IXOXYSBRGYSNKP-QHCPKHFHSA-N 389.524 4.634 0 50 GJAA O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 626426 HECRUWTZAMPQOS-XZOQPEGZSA-N 387.435 4.665 0 50 GJAA in-vitro O=C(Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl)c1ccccc1 992871 NZTKAFAIMWWQMF-UHFFFAOYSA-N 393.826 4.632 0 50 GJAA Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)nn12 1013661 RRGHXEASGNYJHG-UHFFFAOYSA-N 380.810 4.750 0 50 GJAA CC[C@@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)CCO1 1025956 CCJRNGSGDXZYOG-LOSJGSFVSA-N 391.511 4.898 0 50 GJAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1 1111517 VJJVEFVOFAJMGT-UHFFFAOYSA-N 394.315 4.978 0 50 GJAA CCOc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1 1175486 NBGKBNVSBFPUAP-UHFFFAOYSA-N 397.481 4.568 0 50 GJAA CCCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 2997677 WPCGUPXKDCZWIC-IBGZPJMESA-N 394.515 4.728 0 50 GJAA CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12029762 WKBZHHDPMVUYAP-LJQANCHMSA-N 389.499 4.668 0 50 GJAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCC[C@H]1c1ccccn1 12301507 XSBYRBXQMZBWRH-QFIPXVFZSA-N 397.478 4.985 0 50 GJAA CC(C)n1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cn1 14950481 YVLUVVBNBIQLFZ-OAQYLSRUSA-N 377.517 4.550 0 50 GJAA CCN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(C)cccc23)CC1 55057220 LMNGTAVTPSQACT-UHFFFAOYSA-N 387.527 4.605 0 50 GJAA Cc1c([C@H](C)NCc2cccc3nonc23)cnn1-c1cccc2ccccc12 55568648 FAGNAWBLFKNJFG-HNNXBMFYSA-N 383.455 4.721 0 50 GJAA Fc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57576165 DYJAZHBRHRTIQO-UHFFFAOYSA-N 375.491 4.760 0 50 GJAA O=C(c1cccc(O)c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71763263 DFKZXERZWGHROQ-OAHLLOKOSA-N 377.406 4.896 0 50 GJAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)Nc1cccc(-c2cccnc2)c1 96133264 RLZNYVJLUZKCHU-UHFFFAOYSA-N 377.492 4.807 0 50 GJAA O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 151292051 OMOSTMSWKNEBPB-JKSUJKDBSA-N 397.881 4.865 0 50 GJAA CC(C)n1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nc2ccccc2c1=O 170610411 IJAMAKDTKPYJAV-AWEZNQCLSA-N 392.484 4.881 0 50 GJAA Cc1nc(C)c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1 170647333 OBBLOZJUYNWCDU-QGZVFWFLSA-N 393.874 4.988 0 50 GJAA COCCc1noc([C@H]2CCCCN2Cc2ccc(C3CCCC3)s2)n1 215567752 QBPDNWNUDAYSHC-QGZVFWFLSA-N 375.538 4.705 0 50 GJAA CSc1ccc([C@@H](CC(=O)O)NC(=O)CCCc2c[nH]c3ccccc23)cc1 237406920 UTCNYGNMCPHASD-HXUWFJFHSA-N 396.512 4.545 0 50 GJAA C[C@@H]1[C@H](OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]2C[C@H]1C2(C)C 239761240 CJGSJLGOYGVJOU-JQERWDHBSA-N 384.520 4.544 0 50 GJAA COC(=O)[C@@]1(Cc2ccccc2)[C@H]2[C@@H]3[C@H]4[C@H]5C(=C6[C@@H]4[C@@H]4[C@H]3[C@H]1[C@@H]1CC[C@@H]6[C@@H]41)CC[C@H]52 257358263 SMXBRNWVWVAOTE-IBMIJNNGSA-N 398.546 4.749 0 50 GJAA c1cc2c(cc1[C@H]1CCCN1c1nn3cc(C4CCCC4)nc3s1)OCO2 302549916 PXNKSYRCEXKAHJ-MRXNPFEDSA-N 382.489 4.519 0 50 GJAA O=C(COC(=O)c1cnc2ccccc2c1C(F)(F)F)c1cccc(Cl)c1 826602659 KURGTHJWVQKCJR-UHFFFAOYSA-N 393.748 4.947 0 50 GJAA CCN(CC)CCCCN(C)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 1875263556 DXUYMECXQZSVKO-UHFFFAOYSA-N 392.547 4.528 0 50 GJAA Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1Cl 1072115 LXVJIUWAAGXCHK-GFCCVEGCSA-N 396.796 4.659 0 50 GJAA Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 1146034 HBSXCTKZSCBWPT-UHFFFAOYSA-N 380.469 4.635 0 50 GJAA Cc1cc(I)ccc1NC(=O)c1coc2ccccc12 1414018 KOGLEQFXUYBVLL-UHFFFAOYSA-N 377.181 4.598 0 50 GJAA Cc1ccc2nsnc2c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 2873705 IETJYUQURXUTLX-UHFFFAOYSA-N 387.530 4.848 0 50 GJAA O=C(O)C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 4580600 MJEFZJLSMDPVDN-CYBMUJFWSA-N 377.824 4.640 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)NC12CC3CC(CC(C3)C1)C2 4616829 WHNDBRKAQGVHSV-UHFFFAOYSA-N 398.728 4.566 0 50 GJAA O=C(c1cccnc1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 11880006 MPPVJZHUBQXSJS-UHFFFAOYSA-N 381.435 4.602 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1nc(-c2ccccc2)no1 20363503 LBFDPDANDBBFSQ-UHFFFAOYSA-N 394.862 4.985 0 50 GJAA Fc1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 55292419 XLADNKFVPXZLBX-UHFFFAOYSA-N 376.475 4.727 0 50 GJAA Cc1ccc(-n2cc(CN(CCCO)C(C)C)c(-c3ccc(F)cc3)n2)cc1 72428720 DFSKKMTUTXAYKN-UHFFFAOYSA-N 381.495 4.580 0 50 GJAA Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1 263619360 YJBXZDULPVIKLV-QGZVFWFLSA-N 385.826 4.815 0 50 GJAA CN(Cc1cc(CN2CCCC2)cs1)Cc1ccccc1CN1CCCC1 823712705 AEQLLYCSKDAOOW-UHFFFAOYSA-N 383.605 4.572 0 50 GJAA CCCc1c(O)c(C(C)=O)cc2c(CC(=O)O)c(-c3ccc(OC)cc3)oc12 1848443324 HMCQEPWDOBWMJS-UHFFFAOYSA-N 382.412 4.596 0 50 GJAA CCOc1ccc(Nc2nnc(-c3nc(-c4ccc(C)cc4)oc3N)s2)cc1 1857799242 SLSWSDUHZUZVAQ-UHFFFAOYSA-N 393.472 4.893 0 50 GJAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 722343 TVZONRQOEKXREY-UHFFFAOYSA-N 393.306 4.600 0 50 GJAA Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 758023 QCDANHKJUPAPSY-HSZRJFAPSA-N 381.560 4.813 0 50 GJAA Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)c(Br)c1 952666 WLCNWJHICKJJRX-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccccc2)on1 1126419 NMOUYCIYEOEMIO-UHFFFAOYSA-N 390.418 4.595 0 50 GJAA COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 2850694 RFUDWNMKPLEUNC-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA CC(C)=CCC[C@@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O 4168498 QWLMWFREGFLQJI-OILJTOFKSA-N 391.552 4.638 0 50 GJAA O=C(C(=O)N1CCCCC1)c1cn(Cc2ccccc2Cl)c2ccccc12 4187465 DMHUOHPXLARXRD-UHFFFAOYSA-N 380.875 4.538 0 50 GJAA C[C@@H](CC(=O)N[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1)c1ccccc1 4689317 HTIMCRZFXNWJNF-HTAPYJJXSA-N 395.499 4.834 0 50 GJAA COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)Nc2cc(C)cc(C)c2)cc1 12210537 WXVZQXNVCSNXBZ-JOCHJYFZSA-N 378.516 4.553 0 50 GJAA CCCC[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 12327456 RJHOQFTVYAZRKM-QGZVFWFLSA-N 398.532 4.513 0 50 GJAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 20212068 LEWIVBCGOMJWPB-CYBMUJFWSA-N 398.359 4.611 0 50 GJAA COc1ccc(-c2c(-c3ccccc3)ncn2[C@H](CO)CCSC)c(C)c1 65371859 FFKRIQNLPWHONB-SFHVURJKSA-N 382.529 4.821 0 50 GJAA Cc1ccc(NC(=O)N(C)CCC[C@@H]2CCCO2)cc1NC(=O)C1CCCC1 97797450 YDMOJWNKCZRTRF-LJQANCHMSA-N 387.524 4.547 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)nn1 1458213315 IVWUFPZABFLCKR-UHFFFAOYSA-N 378.432 4.762 0 50 GJAA O=C(c1ccc(-c2ccncc2)cc1)N1Cc2cccc(Br)c2C1 1875359090 UDWQAJXOHYRSAG-UHFFFAOYSA-N 379.257 4.667 0 50 GJAA O=C(NC1(Cc2ccc(Cl)cc2Cl)CCC1)c1cc2c(cn1)OCCC2 2325820284 MBYKSYNPJPLDCG-UHFFFAOYSA-N 391.298 4.609 0 50 GJAA CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 678295 SQEYWHBBXISCRK-GOSISDBHSA-N 380.473 4.552 0 50 GJAA O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCO2 809532 HASSGZSXJIMRBN-UHFFFAOYSA-N 393.786 4.524 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC(C)(C)OC2 866576 RMQSPYSCNGIWQY-UHFFFAOYSA-N 393.892 4.682 0 50 GJAA Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1C 1120308 FCCFIUNNOGWLEP-UHFFFAOYSA-N 379.241 4.777 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C)C2 1211771 PHCIOXNZDYMXSV-ZDUSSCGKSA-N 388.508 4.746 0 50 GJAA O=C1C[C@H](c2cccc(OCc3ccccc3)c2)c2cc3c(cc2N1)OCCO3 1460050 SWBHATCQGBMIEP-LJQANCHMSA-N 387.435 4.511 0 50 GJAA Cc1cc(Br)c(NC(=O)COc2ccc3c(c2)CCCC3)cc1C 3465666 SAJOGEMVSTVJFQ-UHFFFAOYSA-N 388.305 4.962 0 50 GJAA COc1ccc(OC)c([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1 5066553 WDXJLDANNRZOME-QFIPXVFZSA-N 386.451 4.788 0 50 GJAA Cc1c(C(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)oc2c(F)cccc12 12570596 KJCXVAJAHQDDHH-UHFFFAOYSA-N 385.479 4.531 0 50 GJAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1sccc1Cl 15066774 DDGVOYCNPHHRIG-UHFFFAOYSA-N 394.943 4.567 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1 15074488 RBQXTFHEZSZMPS-FQEVSTJZSA-N 391.540 4.689 0 50 GJAA c1cc(-c2cscn2)cc(N2CCC(NC3Cc4ccccc4C3)CC2)c1 23580961 WDVOVLVEJNSZHL-UHFFFAOYSA-N 375.541 4.536 0 50 GJAA CC(C)n1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3ccc(F)cc3n2)cn1 63848146 GNEGCQJVCLOVJX-UHFFFAOYSA-N 380.467 4.690 0 50 GJAA COc1ccc2cc(CN3CC[C@@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1 72411591 LCTOLHUJFOLQDW-HXUWFJFHSA-N 395.934 4.700 0 50 GJAA Cc1oc(-c2ccco2)nc1CC(=O)Nc1nc2ccccc2n1C1CCCC1 133883966 WBDKDOTXJSVQRN-UHFFFAOYSA-N 390.443 4.889 0 50 GJAA O=C(NN1Cc2ccccc2C1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 183871165 UPSXBGCIRIWTAO-UHFFFAOYSA-N 396.368 4.673 0 50 GJAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 239105236 ICEKADLMYDOOAN-FGDXXIHYSA-N 397.302 4.695 0 50 GJAA Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@H](c1ccccc1Cl)C2 299782598 VYBLLBQSWDTKCU-IBGZPJMESA-N 397.883 4.887 0 50 GJAA COc1ccc(NC(=O)[C@H](OC(=O)CCC2CCCC2)c2ccccc2)cc1 328592332 CUEBLILMAQDZAE-JOCHJYFZSA-N 381.472 4.889 0 50 GJAA CCCn1c(C)nc2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 952977392 MYFFTWUBFCFXDQ-UHFFFAOYSA-N 390.531 4.993 0 50 GJAA O=C(O)[C@@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OCC1c2ccccc2-c2ccccc21 1857783497 UAOYEOVKALCTLG-TUNNFDKTSA-N 391.467 4.511 0 50 GJAA C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(=O)ccoc2c1 2325701142 OSRXQKVVTJNSPH-NSHDSACASA-N 376.239 4.933 0 50 GJAA CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 784770 RNEDADJWCNPQEE-OAHLLOKOSA-N 390.405 4.820 0 50 GJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C)oc2c1 836894 CIKSNROKEYBJCU-UHFFFAOYSA-N 389.201 4.582 0 50 GJAA biogenic COc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 940502 NLTINAPNEBXCHE-UHFFFAOYSA-N 394.404 4.875 0 50 GJAA biogenic COc1ccc(-c2cn3c4ccccc4nc3n2CCCNC(C)(C)C)cc1 1830081 SIUTYMHCJLFCSM-UHFFFAOYSA-N 376.504 4.743 0 50 GJAA CCCCc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 2049796 KBHWXQIMSCDHEG-UHFFFAOYSA-N 376.909 4.818 0 50 GJAA COc1ccccc1-[n+]1c(-c2ccc(OC(F)F)cc2)cn2c1CCCCC2 2387580 HPHKJHJHFDWXIB-UHFFFAOYSA-N 385.434 4.768 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2c(c1)OCO2 4739340 VXHXHVJUASYKEO-UHFFFAOYSA-N 392.377 4.677 0 50 GJAA O=C(Cc1ccsc1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 12035410 KNXJKNWGMSYOBX-UHFFFAOYSA-N 399.899 4.738 0 50 GJAA O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(Cc1nc3ccccc3s1)CC2 12079568 LTBBEBZKZNGWFS-QGZVFWFLSA-N 395.503 4.676 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1 16606246 FMYYNZNXKMZLJN-UHFFFAOYSA-N 381.278 4.983 0 50 GJAA O=C(Cc1ccccc1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2 22309175 HVIAKQBMYMKWII-UHFFFAOYSA-N 393.490 4.979 0 50 GJAA in-vitro C[C@@H]1CO[P@@](=O)([C@H](NCc2ccccc2)c2ccc(Br)cc2)O1 42378181 MUZKRFLNJBGJNT-ZZKQDXLVSA-N 396.221 4.866 0 50 GJAA CCn1nc(C)c(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1C 42451713 QHNXDUIZOIXQEO-SFHVURJKSA-N 397.954 4.943 0 50 GJAA Fc1ccc(CC[C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)cc1 71614306 PFZLRLXPHSFXHE-NRFANRHFSA-N 381.539 4.530 0 50 GJAA Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc4[nH]ccc4c3)C3CC3)cc2)n1 77439416 ZDCAXZKYFRSXLR-UHFFFAOYSA-N 384.483 4.775 0 50 GJAA COC[C@@H](C)N(Cc1ccc(SC)cc1)C(=O)Nc1c(F)cccc1F 97675404 JQEYEDPSPGIIOE-CYBMUJFWSA-N 380.460 4.756 0 50 GJAA O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1Cl 170615065 UXWCQHPNIBUUHZ-UHFFFAOYSA-N 388.659 4.963 0 50 GJAA COc1ccc(C(=O)N2CCC(Cc3c(C)[nH]c4ccccc34)CC2)cc1OC 243315999 LKMOUALCSUKYIY-UHFFFAOYSA-N 392.499 4.588 0 50 GJAA Cc1nnc(C23CC(CN2C(=O)Nc2cccc(-c4cccc(Cl)c4)c2)C3)o1 888102197 GVRLWPBTLHRCKR-UHFFFAOYSA-N 394.862 4.851 0 50 GJAA Cc1cccc([C@H](C(=O)Nc2cccc(NC(=O)CC(C)C)c2C)N(C)C)c1 952970433 CFODYCIQQBUXQR-JOCHJYFZSA-N 381.520 4.529 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(-c2nccs2)n1 1875331635 QQVMPZFZJBYJTF-SSDOTTSWSA-N 386.658 4.749 0 50 GJAA CCOC(=O)c1cc(C(=O)Nc2ccccc2OC)n2ccc3ccccc3c12 624955 ZIIFAEBYFNVUQY-UHFFFAOYSA-N 388.423 4.530 0 50 GJAA CCC(=O)Nc1ccc(Oc2ccc(NC(=O)CC)c(NC(=O)CC)c2)cc1 1061480 FQANIFPPADGNBW-UHFFFAOYSA-N 383.448 4.524 0 50 GJAA O=C(NCc1cccs1)c1cc(-c2ccccn2)nc2ccc(Cl)cc12 1073364 PTTPKKUBGBEJSE-UHFFFAOYSA-N 379.872 4.942 0 50 GJAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 1156779 MERYWXSANZLWJT-UHFFFAOYSA-N 390.405 4.505 0 50 GJAA O=C(CSc1nc2ccccc2c(=O)[nH]1)N(C1CCCCC1)C1CCCCC1 1325658 BSRIELVKXNVSDD-UHFFFAOYSA-N 399.560 4.509 0 50 GJAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c1 2995799 QOFQBWGXAHSAFN-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA COc1cc(NC(=O)COc2ccccc2C(C)(C)C)c(OC)cc1Cl 3958586 BCEDLUUECIZBQO-UHFFFAOYSA-N 377.868 4.672 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc4sc(N)nc4c3)C2)cc1 11665196 PPXMXRUNGMAMGZ-SFHVURJKSA-N 394.544 4.719 0 50 GJAA CN(Cc1cccnc1)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 12299085 TXJAYSUMIGJDKV-FQEVSTJZSA-N 380.875 4.621 0 50 GJAA Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)s1 12597573 LDYJMFZKVPWHAU-KRWDZBQOSA-N 398.507 4.528 0 50 GJAA O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cccs1 16399868 GRYKLPHLMCOFIZ-UHFFFAOYSA-N 384.507 4.688 0 50 GJAA CCCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 95523265 OSDQODMBYDITMQ-LJQANCHMSA-N 396.487 4.559 0 50 GJAA CCCOC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 96165488 UWBBOPNCIDBDLM-QGZVFWFLSA-N 384.476 4.768 0 50 GJAA Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)oc2c(Cl)cccc12 155257997 HDGNDFICWFNOPH-HNNXBMFYSA-N 397.906 4.745 0 50 GJAA Cc1c(C(=O)Nc2cccc(Cl)c2SC(C)C)cnn1-c1ccccn1 157540389 QXVGTEDMTZSPBG-UHFFFAOYSA-N 386.908 4.982 0 50 GJAA CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)[C@H](O)[C@@H]3[C@@]12c1ccccc1 216356854 LXXURMUGPWKUQM-ZTCOWCNDSA-N 381.313 4.802 0 50 GJAA C[C@@H](c1ccccc1)N(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCC1 328595638 ZSVZZBFBROVBCM-IBGZPJMESA-N 390.527 4.955 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1 526056085 RIAFGVVBZWDYLI-IBGZPJMESA-N 384.451 4.831 0 50 GJAA O=C1CC[C@@H](C(=O)Nc2ccc(Oc3nccs3)c(Cl)c2)n2cccc21 886062975 JCMHGCJFLNNFFU-AWEZNQCLSA-N 387.848 4.547 0 50 GJAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCC[C@@H]1c1cccnc1 952968090 NVDWBGKKLVQTAQ-HXUWFJFHSA-N 375.497 4.746 0 50 GJAA Cc1sc2nc(SCCOc3ccc(F)c(Cl)c3)nc(N)c2c1C 1472975798 LNKFSPPQLDGATL-UHFFFAOYSA-N 383.901 4.854 0 50 GJAA O=C(N[C@@H]1CC12CCC(C(=O)O)CC2)OCC1c2ccccc2-c2ccccc21 1857778335 ZZKZKZCCTLUBKA-KGNSGPCRSA-N 391.467 4.559 0 50 GJAA Cc1ccccc1-n1nc([C@@H]2CC2(C)C)nc1-c1cccc2oc(N(C)C)nc12 1875349114 NABWPJOBAVLNMO-INIZCTEOSA-N 387.487 4.963 0 50 GJAA O=S(=O)(Nc1ccccc1OC(F)(F)C(F)F)c1ccc2ccccc2c1 645779 SVTMQJSIBRVWDM-UHFFFAOYSA-N 399.365 4.877 0 50 GJAA CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1 1215887 GWVXJTDIDQMXKZ-UHFFFAOYSA-N 387.435 4.712 0 50 GJAA COc1ccc(-c2cc3ccc(OC(=O)C4CCCCC4)cc3oc2=O)cc1 1317651 JSRDXBKFZHZQKA-UHFFFAOYSA-N 378.424 4.954 0 50 GJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@H](C)c2cc(C)ccc2C)s1 2858364 LTEFYOIMTMLUNN-CYBMUJFWSA-N 376.547 4.762 0 50 GJAA C[C@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ccccc2)cc1CN(C)C 11910605 UTBSHMJODOCXHD-GOSISDBHSA-N 392.499 4.607 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(Cc2ccccn2)C1 12300519 VTGKECSOVZGDFJ-HXUWFJFHSA-N 389.474 4.738 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 12575851 WHQDFQHNUPKJBW-QRUZDJRHSA-N 399.550 4.576 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)o1 15071152 OLSXSSWDGZSPSN-KRWDZBQOSA-N 386.467 4.615 0 50 GJAA CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 15836339 LVWWWCIOTIKXLZ-YVLHZVERSA-N 389.860 4.988 0 50 GJAA CN(C)c1nc(Cl)c(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)s1 20212072 LEWIVBCGOMJWPB-ZDUSSCGKSA-N 398.359 4.611 0 50 GJAA Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccn(C)n3)cc(C(F)F)c12 20604150 OPEHUPPBDOFWLB-UHFFFAOYSA-N 387.821 4.780 0 50 GJAA CC[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(OC)cc1 20616974 KMMJELRTIXINAW-ZDUSSCGKSA-N 397.422 4.543 0 50 GJAA Cc1ccc(-c2nc(N[C@@H](C)c3ccncn3)ncc2-c2ccc(O)cc2)cc1 65493880 VSCGOLDLNXTAON-INIZCTEOSA-N 383.455 4.788 0 50 GJAA O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@H]2c2nccs2)cc1 95530088 QBSNICKTOAHEBV-KRWDZBQOSA-N 385.489 4.612 0 50 GJAA Cc1nc(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cs1 170601904 GJSLYKPRIRGJDC-UHFFFAOYSA-N 396.537 4.804 0 50 GJAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 247735627 KPZBQPDPSFOFHY-YESZJQIVSA-N 394.544 4.635 0 50 GJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccccc1OCCc1ccccc1)C2 1704299854 LMGHOZDYZGPJIB-NOZRDPDXSA-N 393.527 4.729 0 50 GJAA Cc1ccoc1-c1nnc(Cn2ccc(=O)c3cc(Oc4ccccc4)ccc32)o1 1875259950 UKCKFOZGJKUKTI-UHFFFAOYSA-N 399.406 4.794 0 50 GJAA Cc1occ(-c2ccccc2)c1C(=O)OCc1nc(-c2ccc(F)cc2)no1 1875354369 FUFKCJOTLRYYHI-UHFFFAOYSA-N 378.359 4.801 0 50 GJAA CCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OCC)c1OCC 680138 CPWVLUQCXGYNII-UHFFFAOYSA-N 380.444 4.683 0 50 GJAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 882155 IUTOGNZKHRRABF-UHFFFAOYSA-N 387.936 4.766 0 50 GJAA CCCc1cc(=O)oc2c(C)c(OCc3cc(OC)c(OC)c(OC)c3)ccc12 1156114 ZNFKHNYFLZUXDC-UHFFFAOYSA-N 398.455 4.659 0 50 GJAA biogenic CN1CCN(C(=O)Nc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC1 2164510 KEIWSTZWYCKZTA-UHFFFAOYSA-N 391.513 4.733 0 50 GJAA Cc1ccc(C(c2ccc(C)o2)c2cc(I)ccc2O)o1 3846754 RIQILYVCSSYOQI-UHFFFAOYSA-N 394.208 4.980 0 50 GJAA biogenic O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc(F)cc1 6112330 NKTZYZIGUIPBOE-UHFFFAOYSA-N 390.366 4.566 0 50 GJAA biogenic Cc1ccccc1CN1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 11820658 XPMFLEGTJMYMKI-QFIPXVFZSA-N 387.483 4.785 0 50 GJAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2ccc(F)cc2Cl)c1C 12314036 HWWCGMHHWQUPAT-AWEZNQCLSA-N 385.870 4.702 0 50 GJAA Cc1cccc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c12 16474930 CREINSXFKKCUEY-UHFFFAOYSA-N 378.472 4.539 0 50 GJAA Cc1cc(-c2cccc(-c3ccn(Cc4nnc(C)o4)n3)c2)c2ccccc2n1 19147476 AHYNEHJEZCMHLQ-UHFFFAOYSA-N 381.439 4.813 0 50 GJAA Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4cn(C)nc4C)nc32)cc1 20603150 GXGZJNNYSXQSJB-UHFFFAOYSA-N 381.430 4.743 0 50 GJAA Fc1cccc(CN2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)c1F 55074360 CSMYDDSVSPXKTO-SFHVURJKSA-N 376.413 4.595 0 50 GJAA COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1snnc1C 65490173 KDAPRHNVBQEHRK-UHFFFAOYSA-N 380.448 4.573 0 50 GJAA Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1F 157340487 CRVRNNPANKXSLV-UHFFFAOYSA-N 384.411 4.552 0 50 GJAA Cc1c(CSC(C)C)cccc1NC(=O)c1cnn(-c2ccccn2)c1C 173369051 GOLRELLXNQJJHV-UHFFFAOYSA-N 380.517 4.778 0 50 GJAA Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccccn1)C1CC1 177390561 CFCNKMLCSRHPFM-SFHVURJKSA-N 378.520 4.965 0 50 GJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 188426373 MZUPSKKSKBMISU-INIZCTEOSA-N 398.454 4.905 0 50 GJAA CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 239338850 LHYBCPJSCUKICT-AHWVRZQESA-N 398.506 6.108 0 50 GJAA COc1ccc(CN(C(=O)c2c(C)cccc2OC)C2CCCC2)c(OC)c1 824637154 IVQJFKUKUAYXAV-UHFFFAOYSA-N 383.488 4.606 0 50 GJAA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 952978257 XHVWNYPKNJLQCO-SFHVURJKSA-N 395.459 4.651 0 50 GJAA C[C@@H](C(=O)N1CCC[C@@H]1c1cc(F)ccc1Cl)n1ccc(C(F)(F)F)n1 1875331582 OGIDKYSCMGSWJI-IINYFYTJSA-N 389.780 4.619 0 50 GJAA N[C@@H]1C[C@@H](NCC2(c3cccc(Br)c3)CCCC2)c2ccccc21 1875344412 KBOSETSSJLHRBA-WOJBJXKFSA-N 385.349 4.995 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@@H](C)C2 948407 ZBAMFCQKMLMPSD-YPUOHESYSA-N 375.515 4.763 0 50 GJAA CCOc1cc2c3c(c1)[C@@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@H]2C 1051268 NFWGQDGMLRQLPK-FATZIPQQSA-N 378.472 4.513 0 50 GJAA COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 1116830 PACKUEYOUHHCHU-UHFFFAOYSA-N 399.450 4.902 0 50 GJAA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc(Cl)c1 2278229 DQSNWTPXFQTVQS-GOSISDBHSA-N 379.843 4.751 0 50 GJAA CC(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130093 UNJKJHBOXAQJRQ-SECBINFHSA-N 384.905 4.891 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(CCCc2ccccc2)CC1 4681239 GMJGJOATEZIGKJ-UHFFFAOYSA-N 384.523 4.744 0 50 GJAA Cc1ccc(CCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)cc1 8610900 NRIASWOOXMYORZ-UHFFFAOYSA-N 389.524 4.985 0 50 GJAA Cc1cccc(C(=O)Nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2C)c1 12843515 SDQNWBGBTXBVES-UHFFFAOYSA-N 376.431 4.876 0 50 GJAA Cn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1ccccn1 13325559 MKHULIJIZSZFAQ-UHFFFAOYSA-N 399.932 4.946 0 50 GJAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 20395566 WXNRNJKOLYJTGH-UHFFFAOYSA-N 382.266 4.795 0 50 GJAA COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 25781795 YJSUDLJDICUKHV-AVRDEDQJSA-N 376.412 4.539 0 50 GJAA CC(=O)N[C@H]1C[C@@H](c2cccc3cnccc23)O[C@@H](c2ccc(Cl)cc2)C1 65494141 FNDPKBQJLLIPTG-QIJUGHKUSA-N 380.875 4.986 0 50 GJAA O=C(c1ccc(CO)cc1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71639552 KMOSUCPRKGRHLT-QGZVFWFLSA-N 391.433 4.683 0 50 GJAA O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 138959241 WHUDPPDRXAQMEK-ZCLUNYJNSA-N 396.870 4.611 0 50 GJAA Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 170598058 RPLKZRAULNIFAG-CQSZACIVSA-N 394.496 4.771 0 50 GJAA Cc1ccc2c(-c3ccccc3)nc(NNC(=S)NCc3ccccc3)nc2c1 170612596 KQAIFRAKQFJBAE-UHFFFAOYSA-N 399.523 4.596 0 50 GJAA C=CC(=O)Nc1cc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)ccc1F 751453003 PZTGTOMVJKKYJL-UHFFFAOYSA-N 392.386 4.665 0 50 GJAA COc1cc2sc(NC(=O)[C@H](CCSC)n3cccc3)nc2cc1Cl 888103552 MKXDEZOBSUWABM-ZDUSSCGKSA-N 395.937 4.693 0 50 GJAA Cc1c(-c2ccccc2)noc1NC(=O)c1ccc(CN2CCC(C)CC2)o1 1506419234 ZPYGRULQPXFGLV-UHFFFAOYSA-N 379.460 4.727 0 50 GJAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2s1 2325742621 QTEJOKTYPYYAHB-UHFFFAOYSA-N 396.903 4.935 0 50 GJAA CC(=O)c1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 1182882 LHGPSHSNVZUMOJ-UHFFFAOYSA-N 388.492 4.534 0 50 GJAA COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 1185973 PGRSYXJCNKZHOX-UHFFFAOYSA-N 382.243 4.612 0 50 GJAA Cc1c([C@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccccc1 11817521 ZUUGADIMSNTNEW-HNNXBMFYSA-N 390.512 4.600 0 50 GJAA COc1cccc(N2CCN(C(=S)Nc3cc(Cl)ccc3Cl)CC2)c1 17080959 PBRPJCRWMYGRHI-UHFFFAOYSA-N 396.343 4.521 0 50 GJAA Cc1ccc(-c2c(C(F)(F)F)nn3c(NC[C@H]4CCCO4)cc(C)nc23)cc1 21799449 JDZDFJPKFNSFPE-OAHLLOKOSA-N 390.409 4.623 0 50 GJAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(C2CCN(c3ccccc3)CC2)C1 39447931 URDWDNQXQXHJJX-DEOSSOPVSA-N 398.978 4.626 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3cnccn3)c(-c3cccc(C)c3)n2)cc1 55090248 GHTTYIHTDVBTLF-UHFFFAOYSA-N 383.499 4.578 0 50 GJAA O=C(Nc1cnc2ccccc2c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 170592816 KGSDFAMMCXITDI-UHFFFAOYSA-N 382.345 4.692 0 50 GJAA Cc1ccc(C2=NN3[C@H](C(=O)c4ccc(F)cc4)Oc4ccccc4[C@@H]3C2)cc1 248101197 PENMLYDAGXHMAS-URXFXBBRSA-N 386.426 4.887 0 50 GJAA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 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CCN(CC)CCOc1ccc([C@](O)(Cc2ccccc2)c2ccccc2)cc1 5311525 ZHLXWJSSVXYFJC-SANMLTNESA-N 389.539 4.886 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc3nonc3c2)cc1 11753958 CEPJOLLZNPGOCJ-OAQYLSRUSA-N 387.487 4.520 0 50 GJAA CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCOC1 12301320 FHBCDIDHFWNBDL-OAQYLSRUSA-N 387.483 4.565 0 50 GJAA Fc1ccc(-c2n[nH]cc2CNCc2ccc(OC(F)(F)F)cc2)c(F)c1 12433269 IUIXRGHASMTJAL-UHFFFAOYSA-N 383.320 4.543 0 50 GJAA COc1ccc(CN(C)C(=O)c2ccc3nc(C4CC4)oc3c2)c2cccnc12 12457446 JFBYCSNEUFKAKY-UHFFFAOYSA-N 387.439 4.534 0 50 GJAA Clc1cccc(N2CCN([C@H]3CCCN(C/C=C/c4ccccc4)C3)CC2)c1 20535623 KJELEYDJTVWVCT-LUAJHVPRSA-N 395.978 4.640 0 50 GJAA Cc1cccc(CN2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)n1 23128547 RYZNGFRURLUVCJ-UHFFFAOYSA-N 391.902 4.854 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cc(Cl)c1O 65529963 QFLFTNWZNNXIJW-MRXNPFEDSA-N 384.863 4.764 0 50 GJAA Cc1cc(C)nc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 95512341 LBPHCJRIZSBTLF-HXUWFJFHSA-N 379.891 4.585 0 50 GJAA COc1ccc(Br)c(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 133670695 VWPQGAYZAYTOCV-UHFFFAOYSA-N 394.656 4.773 0 50 GJAA O=C(NCC(=O)N1[C@H]2CC[C@H]1c1ccccc12)c1sc2ccccc2c1Cl 225407710 JLHBSTOUEAUQFM-HOTGVXAUSA-N 396.899 4.703 0 50 GJAA CCc1ccc2oc(C(=O)Nc3cccc(S(=O)(=O)C(F)F)c3)c(C)c2c1 334162148 KVIULJLUGDVXEB-UHFFFAOYSA-N 393.411 4.552 0 50 GJAA CCc1cn2c(n1)CC[C@H](C(=O)OCc1ccccc1Oc1ccccc1)C2 1875343563 NHVPJHGRGABCEN-KRWDZBQOSA-N 376.456 4.544 0 50 GJAA Cc1cc(C(=O)NCc2cccc(C)c2Br)c2c(c1)[C@H](C)CCN2 2325843162 XPCVJHQOZFWPIG-CYBMUJFWSA-N 387.321 4.915 0 50 GJAA C[C@H](CCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 757017 NIBHBPNJUYKZOD-QGZVFWFLSA-N 388.349 4.926 0 50 GJAA COc1ccc(C)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 799432 WMWSIYWJJUUADX-UHFFFAOYSA-N 377.469 4.965 0 50 GJAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccccc2Cl)c1 802339 YAPHTOBAWWGHDQ-UHFFFAOYSA-N 384.819 4.511 0 50 GJAA COc1cc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O 860753 QPOSHVSRJBAGDY-HSZRJFAPSA-N 397.434 4.541 0 50 GJAA COCCSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 2153601 WWBNXXMCDJROIC-UHFFFAOYSA-N 377.509 4.945 0 50 GJAA O=C(NCc1ccc(Cl)cc1)c1cccc(COCC(F)(F)C(F)F)c1 2753121 SOKPUGSBFXUGNO-UHFFFAOYSA-N 389.776 4.687 0 50 GJAA CSc1nc2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 3667012 XAZJTQGRZZATAC-UHFFFAOYSA-N 387.508 4.664 0 50 GJAA Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1 4119029 NDOUCZODARKCJE-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA COc1ccc(Nc2ncc(-c3cc4cc(OC)ccc4oc3=O)s2)cc1 4247210 CNZDBCRSYXZBQR-UHFFFAOYSA-N 380.425 4.677 0 50 GJAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 4899629 JBZXLQHJZHITMW-YDFBLROQSA-N 391.467 4.653 0 50 GJAA C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c12 5016770 BIBSBTCGHJYDMT-JLHYYAGUSA-N 386.411 4.588 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccnc2)CCCC3)c1 5046970 ROHUFOLVVDIRQL-UHFFFAOYSA-N 391.496 4.835 0 50 GJAA COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(CC(C)C)C2 12159183 QSPPAYIKBWWUQU-UHFFFAOYSA-N 375.896 4.875 0 50 GJAA CCc1nn2c(NCc3ccccn3)cc(C)nc2c1-c1ccc(Cl)cc1 13730718 KBIBHIJJAFFOIL-UHFFFAOYSA-N 377.879 4.928 0 50 GJAA CC[C@@H](C)CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 14954708 CMIYGWSJAQRXHW-WBMJQRKESA-N 389.492 4.613 0 50 GJAA Cc1ccc2nc(OCc3ccccc3Cl)c(CN3CCC(O)CC3)cc2c1 15005328 MCBFEPHTLHNBHP-UHFFFAOYSA-N 396.918 4.732 0 50 GJAA CCn1nc(C)c(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)c1C 20454796 HYJRRRTYAWUCRO-HSZRJFAPSA-N 379.479 4.795 0 50 GJAA Cc1ccc(CN(Cc2ccncc2)Cc2coc3ccccc3c2=O)s1 55153859 WBNAWEZECSSUEW-UHFFFAOYSA-N 376.481 4.760 0 50 GJAA CCCCn1ccnc1C1CCN(C(=O)c2cc(C)nc3ccccc23)CC1 91390848 HBPIZUMSOSAVQJ-UHFFFAOYSA-N 376.504 4.560 0 50 GJAA CCC(CC)N(CC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91440275 MARUYLUIDZDSDA-UHFFFAOYSA-N 387.505 4.822 0 50 GJAA CCOc1ccccc1OCCNCCCC(=O)c1cccc(C(F)(F)F)c1 96027308 WCKZEBIAUJRERU-UHFFFAOYSA-N 395.421 4.736 0 50 GJAA O=C1CCCN1c1cccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 96151642 DJZWYFDQLRPDBZ-FQEVSTJZSA-N 381.451 4.712 0 50 GJAA CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 170630995 PTLFHXHFVYZXCW-DYVFJYSZSA-N 376.497 4.520 0 50 GJAA Cc1sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 239347149 MEWDQCJFDVNYIZ-XLAORIBOSA-N 396.512 4.703 0 50 GJAA Cc1ccc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)c1 466631183 RYWYWXMCVSWTGB-UHFFFAOYSA-N 391.496 4.872 0 50 GJAA CC[C@H](NC(=O)Nc1ccnn1Cc1ccc(F)cc1)c1cc(F)ccc1F 1476470799 DGGHFDQUNVGATD-SFHVURJKSA-N 388.393 4.622 0 50 GJAA COc1ccc(COC[C@@H](O)CN2CC3(CCCCC3)[C@H]2c2ccccc2)cc1 1875344414 KDGRAKHXWRIJMC-LADGPHEKSA-N 395.543 4.580 0 50 GJAA CC[C@@H](C(=O)NCc1cccc2ncsc12)n1cc(C(C)=O)c2ccccc21 2356153391 DUXSOKBUWWTOGU-IBGZPJMESA-N 391.496 4.721 0 50 GJAA CCOC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 638617 SCAMSIHLYSBNDS-UHFFFAOYSA-N 382.485 4.684 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 1738286 OPLRJJRZJWVRMJ-UHFFFAOYSA-N 376.840 4.950 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccc(CC)cc2)sc(C)c1C 1773446 KKQPLVVMCXRGST-UHFFFAOYSA-N 389.517 4.902 0 50 GJAA CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 2827100 SSXZTEZNFIZHDX-UHFFFAOYSA-N 394.562 4.591 0 50 GJAA O=C(Nc1nnc(COc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 2845195 AEZDWGLVPUOHRA-UHFFFAOYSA-N 385.411 4.655 0 50 GJAA Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(-c3ccncc3)ccc12 5660108 UZBYAPRZHGAHJR-UHFFFAOYSA-N 380.860 4.846 0 50 GJAA CCOC(=O)C1(Cc2ccccc2)CCN(C/C=C/c2ccccc2OC)CC1 12386829 NXBCUQUOILHXJS-UKTHLTGXSA-N 393.527 4.596 0 50 GJAA Cc1ncccc1C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 14982299 AEVDKNUFZQEVLI-MRXNPFEDSA-N 384.888 4.505 0 50 GJAA S=C1NC(=S)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 16764369 NQVAQFINFUYDQN-KPKJPENVSA-N 382.329 4.999 0 50 GJAA Cc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4cnn(C)c4)nc32)cc1 20605424 DPXKZECCNSGHQT-UHFFFAOYSA-N 385.393 4.516 0 50 GJAA COc1ccc2sc(NC(=O)CSc3nc4ccccc4s3)nc2c1 45068059 IJQCGEGYPAFLJK-UHFFFAOYSA-N 387.511 4.645 0 50 GJAA c1ccc(-c2ncn(Cc3cn[nH]c3-c3cccs3)c2[C@@H]2CCOC2)cc1 67713108 QXLSOPXECNSSTC-MRXNPFEDSA-N 376.485 4.554 0 50 GJAA Cc1ccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)nn1 67946595 RESLHDOJEYGVRF-UHFFFAOYSA-N 382.467 4.516 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)on1 245557611 VDOOVNVPYFXCIP-UUOWRZLLSA-N 392.499 4.630 0 50 GJAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc2cnccc12 252670203 JVXCUWRIIVUXPU-WZONZLPQSA-N 388.515 4.609 0 50 GJAA Cc1cc(F)cc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1N 1464280086 NQRFWMXDRHKNBR-UHFFFAOYSA-N 396.372 4.790 0 50 GJAA COc1ccc(F)cc1CNC(=O)c1cc(-c2ccc(OC(C)C)c(C)c2)on1 1857799854 IEPJLSSHHATIIW-UHFFFAOYSA-N 398.434 4.515 0 50 GJAA C[C@H](NC(=O)c1ccc(Oc2ccncc2)cc1)c1ccc(-c2cncnc2)cc1 1875254689 JTBORNWAZZIOGK-KRWDZBQOSA-N 396.450 4.822 0 50 GJAA Cc1cnccc1-c1ccc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)s1 1875264164 HWSZURPGOQCUIF-MRXNPFEDSA-N 398.528 4.671 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC(C)(C)OC2 663107 ZAKMYPNPDZHEDM-UHFFFAOYSA-N 399.468 4.775 0 50 GJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1nc2ccccc2[nH]1 955020 UULXHIWNWMESIV-NTCAYCPXSA-N 397.478 4.514 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl 1207308 JQZVNQMQVAYNDA-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA Nc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(cc12)CCCC3 1228450 USJRVLYPGMAAMN-UHFFFAOYSA-N 387.302 4.751 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc(C)c1C 1772516 DTTUKRUKAFJWQJ-UHFFFAOYSA-N 375.490 4.648 0 50 GJAA Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2C)c1 2721415 YFQLSSZSSNZQFC-UHFFFAOYSA-N 383.495 4.674 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 2850331 IKIHJVJWZYYSGE-GOSISDBHSA-N 389.411 4.793 0 50 GJAA Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)o1 11754112 WOYYRIXCAUNXGW-IBGZPJMESA-N 377.488 4.834 0 50 GJAA CCCCN(Cc1ccccc1)C(=O)CCc1nnc(CCc2ccccc2)o1 11842441 FMKNNSJNNGKNEP-UHFFFAOYSA-N 391.515 4.616 0 50 GJAA CN(Cc1sc2ccccc2c1Cl)C(=O)c1cn(C2CCCCC2)nn1 11873827 DEITXNIRGCRIRC-UHFFFAOYSA-N 388.924 4.924 0 50 GJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C4CCN(C(C)C)CC4)C3)ccc2c1 12303125 KDONTFYQNFSTAT-JOCHJYFZSA-N 394.559 4.616 0 50 GJAA C=Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3cccc4ccccc34)C2)cc1 12432824 JNMFSBPLNTYLOP-FQEVSTJZSA-N 398.506 4.765 0 50 GJAA Cc1c([C@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc12 12577175 GCSHPDIMWPOOQH-HNNXBMFYSA-N 388.471 4.936 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(COc2ccccc2Cl)s1 17138449 YKAQOMCIKIAYGM-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(Cc2cccs2)CC1 19839478 WUSJSUVQHUXUCZ-UHFFFAOYSA-N 387.936 4.683 0 50 GJAA Cc1oc(-c2cccc3ccccc23)nc1CN(CCO)Cc1cccs1 19882750 MESSVQZCQVCJBQ-UHFFFAOYSA-N 378.497 4.859 0 50 GJAA CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 20598130 IGZVPNAJLMAGND-KGZPDETFSA-N 391.305 4.800 0 50 GJAA Cc1ccccc1-c1cccc(N2CCC(N[C@@H](C)Cc3cnccn3)CC2)c1 23581008 KQTOTZVZYDFRCT-FQEVSTJZSA-N 386.543 4.642 0 50 GJAA CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 67834274 KBZJEMVHXYTDKA-LJQANCHMSA-N 396.556 4.938 0 50 GJAA COCc1nn2c(-c3ccccc3OC)ccnc2c1-c1cccc(Cl)c1 72117799 UWBIGAPLDCTMEZ-UHFFFAOYSA-N 379.847 4.872 0 50 GJAA O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F 180226473 LUPWHESILYWAMJ-XADVXLBKSA-N 395.808 4.507 0 50 GJAA CCCCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 248138624 AVIUWNATFFWANG-VXKWHMMOSA-N 392.543 4.602 0 50 GJAA O=C(c1cccnc1-c1cccc(OCc2ccccc2F)c1)N1CCCC1 534656637 RDIODAVDLVSPND-UHFFFAOYSA-N 376.431 4.703 0 50 GJAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N(Cc1ccccn1)C[C@H]1CCCO1 1506414212 WRBNBYMGXZDTRB-JOCHJYFZSA-N 399.494 4.866 0 50 GJAA CC1=CC2(CCN(C(=O)c3oc(COc4ccccc4)cc3C)CC2)OCC1 1704344353 LOLLMHXONJQKKZ-UHFFFAOYSA-N 381.472 4.508 0 50 GJAA CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 637690 PQGYPPPTTGUXJJ-UHFFFAOYSA-N 386.904 4.681 0 50 GJAA CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C 779158 HWOJHVFEYJGDAX-UHFFFAOYSA-N 386.908 4.658 0 50 GJAA C[C@@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1cc(Cl)ccc1Cl 2085404 ATMBZNDIDAGMTF-ZCFIWIBFSA-N 382.140 4.956 0 50 GJAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1nc3ccc(OC(F)(F)F)cc3s1)C2=O 2827204 FIKPYXNULANZGC-DYZYQPBXSA-N 398.406 4.511 0 50 GJAA COc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 4710735 AQMWCJYKRVBHDD-AWEZNQCLSA-N 379.847 4.795 0 50 GJAA O=c1nc(/C=C/c2ccccc2OCc2ccccc2F)cc(C(F)(F)F)[nH]1 4810148 VNZUQJAVMARFTM-MDZDMXLPSA-N 390.336 4.677 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 12302178 YGGXUTOLZZTSSH-GOSISDBHSA-N 390.418 4.698 0 50 GJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 12589054 CNXOMKHQYYPQNL-AWEZNQCLSA-N 384.451 4.999 0 50 GJAA Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(Cl)cc2)C1 12596185 OHOFQXVKBFHREP-OAHLLOKOSA-N 390.936 4.981 0 50 GJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2=O)cc1 15065352 YWFOBYPXCBXNGQ-QHCPKHFHSA-N 396.556 4.526 0 50 GJAA O=C1CC[C@@H](N2CCC[C@H](c3ccccc3)C2)CCN1Cc1cccc(F)c1 39421274 LKCZNYXAOVYXCY-JTHBVZDNSA-N 380.507 4.586 0 50 GJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)cc1OC 193164179 ZUYGWKOHVHPLQA-IBGZPJMESA-N 377.444 4.621 0 50 GJAA CCOC(=O)c1c(SC)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12 196343119 XFHBGIBKVCRXNY-UHFFFAOYSA-N 389.480 4.962 0 50 GJAA O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239338712 LAIKUDSZHFFLBK-HSKKSDQVSA-N 376.686 5.274 0 50 GJAA CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCc3ccc(F)c(F)c3C2)n1 427352027 KIJASZJCDBTONO-UHFFFAOYSA-N 397.425 4.511 0 50 GJAA Cc1ccccc1C1CC(N(C(=O)c2ccc(C3OCCO3)cc2)C2CC2)C1 1857528120 KJROUPNKAZJQNF-UHFFFAOYSA-N 377.484 4.591 0 50 GJAA COC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1C 1875256265 UUVQUXBUNWZHLM-JTSKRJEESA-N 390.483 4.813 0 50 GJAA CC(C)c1ccc(Cl)cc1C(=O)N1CCC(O)(Cc2ccccc2F)CC1 1875304939 ACKORBFUTMNIJG-UHFFFAOYSA-N 389.898 4.812 0 50 GJAA CO[C@H](C)CCc1nc(-c2ccc(N(C)C)nc2)nn1C1CCC(C)(C)CC1 1875349046 KZOZBLMEWOQZGT-MRXNPFEDSA-N 385.556 4.515 0 50 GJAA Cc1cc(C)c(S(=O)(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)s1 2325828436 HDEPRLAUFQLCBL-UHFFFAOYSA-N 389.464 4.989 0 50 GJAA CCOc1ccc(-c2nccn2C[C@H](C)OC)cc1-c1ccc(OC)c(F)c1 2356161697 FXLGLQNXOBAXQP-HNNXBMFYSA-N 384.451 4.798 0 50 GJAA O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1nccs1 1603878 PEKOAGVRKDREMQ-UHFFFAOYSA-N 386.043 4.707 0 50 GJAA CC(C)[C@H]1Nc2c(C(=O)O)cccc2[C@H](Nc2ccccc2C(=O)O)C1(C)C 2484211 LAONMPGUGGBWNR-MOPGFXCFSA-N 382.460 4.713 0 50 GJAA O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl 2672675 MGDUDQQGPMMFBS-SIFUEBAJSA-N 387.669 4.764 0 50 GJAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1 4593103 DWTQMFCOCSEOBY-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(F)cc3)sc2n1 5020529 IWFKQTWYILKFGE-UHFFFAOYSA-N 376.412 4.899 0 50 GJAA in-vitro COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccoc3)C2)cc1 12716902 SBGZDTFANVPYAH-HXUWFJFHSA-N 390.483 4.806 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccccc3C)C2)n1 14881780 REIQUDSRBCMAHZ-IBGZPJMESA-N 389.474 4.919 0 50 GJAA Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)s1 15066278 VABAEDOLIMDCMX-GOSISDBHSA-N 376.525 4.798 0 50 GJAA COc1cc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)ccc1O 19325031 WUDLJKGNPMHXER-UHFFFAOYSA-N 388.511 4.808 0 50 GJAA CCc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(CC)CC3)c2C)cc1 55060304 FYBNUPKKEWZEPM-UHFFFAOYSA-N 387.527 4.550 0 50 GJAA COc1ccc2cc(CN3CCC[C@H]3CO)c(-c3ccc(Cl)cc3)nc2c1 72424150 VYODULNMRDNEGF-IBGZPJMESA-N 382.891 4.521 0 50 GJAA FC(F)(F)c1csc([C@H]2CCCN(Cc3cc(-c4ccco4)on3)C2)n1 134451677 QNOJTSYAUCQPRB-NSHDSACASA-N 383.395 4.790 0 50 GJAA COc1cccc2cc([C@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc12 170612620 FIOPKCKLIVGWQS-OAHLLOKOSA-N 385.876 4.656 0 50 GJAA COc1cnc(F)c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1 1353502908 CZZKAFNAYZLWHJ-UHFFFAOYSA-N 389.386 4.822 0 50 GJAA Cc1ccc(-c2nc(CN3CCC[C@]4(CCc5cnc(C)nc54)C3)c(C)o2)cc1 1704343784 YTVDBBFQUSFIGP-DEOSSOPVSA-N 388.515 4.537 0 50 GJAA COc1c(S(=O)(=O)Oc2cccc3ccccc23)ccc(Cl)c1Cl 1775971111 FVOGSMHNEVCOBB-UHFFFAOYSA-N 383.252 4.923 0 50 GJAA Cc1cc(F)ccc1-n1nc(Cc2ccncc2)nc1COC1(C)CCCC1 1875341233 LXUNEEVMMQAHIV-UHFFFAOYSA-N 380.467 4.550 0 50 GJAA Cc1ccc(OCc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 1076276 QVJFOMFVLBDDGK-UHFFFAOYSA-N 386.495 4.536 0 50 GJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 1143634 UNBQDEHUMOMZNM-UHFFFAOYSA-N 381.259 4.993 0 50 GJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccs1 1185908 DDLRNGPHWKYLDY-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA aggregator O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1c1ccc(Cl)cc1 1206515 RLWLPTSPAAAIPU-XFFZJAGNSA-N 384.638 4.936 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 1305609 PVPDFNMIMDGMQE-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA CC(C)(C)OC(=O)N[C@@H](CSCC1c2ccccc2-c2ccccc21)C(=O)O 2554996 AIZZGGDXFGAYMR-IBGZPJMESA-N 399.512 4.510 0 50 GJAA in-vitro C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2cccc3cccc1c23 2884957 FQDKQEKQTIIXKL-GFCCVEGCSA-N 395.256 4.590 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 5094568 NZDCKPOXGSYBSW-MDWZMJQESA-N 398.466 4.698 0 50 GJAA COc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccco2)C1 8682646 ZVUHIVNFXILDTP-GOSISDBHSA-N 377.469 4.836 0 50 GJAA aggregator COc1cccc(CNCC[C@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 14968236 YYCWZJZEKYTIEH-XJUOHMSHSA-N 396.575 4.548 0 50 GJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 91650602 UGHZWUNXNCNONI-FQEVSTJZSA-N 375.476 4.619 0 50 GJAA FC(F)(F)c1cc(/C=C/c2nc(-c3cnccn3)no2)cc(C(F)(F)F)c1 170657024 WEGQAVMBFQEJLK-OWOJBTEDSA-N 386.255 4.735 0 50 GJAA CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(C)O 239338856 LIBIPIXHWFBTLG-DKGSKVKPSA-N 392.370 6.182 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239433477 XTGLIVITYKYLTH-KHMAMNHCSA-N 392.248 5.500 0 50 GJAA CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)[C@H](O)[C@H]3[C@@]12c1ccccc1 254838683 LXXURMUGPWKUQM-XTYSOYBWSA-N 381.313 4.802 0 50 GJAA O=C(Nc1ccnn1-c1cccc(F)c1)c1c(F)cc(C(F)(F)F)cc1F 464461306 NXJQLMBXZKRSNK-UHFFFAOYSA-N 385.267 4.561 0 50 GJAA O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CC[C@H](c2ccccc2)C1 746798864 LIXWALYEZVVCMR-KRWDZBQOSA-N 385.389 4.521 0 50 GJAA COc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)C(C)=CC(C)(C)N4)c2c1 1857526060 DJXXYHAKRFHGLZ-UHFFFAOYSA-N 389.499 4.756 0 50 GJAA O=C(/C=C/c1cccc(OC2CCCC2)c1)Nc1ccccc1Cn1ccnc1 1875253876 NMCAUSMJXUYQSA-OUKQBFOZSA-N 387.483 4.905 0 50 GJAA COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c2c1 753787 JQVDELOYNFKZRT-KRWDZBQOSA-N 378.516 4.837 0 50 GJAA Cc1ccc(NC(=O)c2ccc(-n3nc(C)c4c3CC(C)(C)CC4=O)cc2)cc1 1076907 OQKSSBKWBLSMJK-UHFFFAOYSA-N 387.483 4.897 0 50 GJAA Clc1ccccc1[C@H]1C[C@@H](c2cccc(Br)c2)n2ncnc2N1 1129355 OFJYLVQCNQKRJP-CVEARBPZSA-N 389.684 4.840 0 50 GJAA CCOc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 1204196 WKDUVIYVLFKPHS-UHFFFAOYSA-N 398.422 4.818 0 50 GJAA Cc1nc(=O)c(-c2ccccc2)c(C)n1N(Cc1ccccc1)c1ccccc1 2269800 TWBOMZOAVPOZID-UHFFFAOYSA-N 381.479 4.997 0 50 GJAA CCOC(=O)C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 2669354 FXHOKFCRSVWIJF-UHFFFAOYSA-N 383.227 4.763 0 50 GJAA COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)cc1 4973292 ATYWEHXZCGJYNS-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1Cl 4998866 IGPBSZNOVPWGFQ-UHFFFAOYSA-N 385.678 4.736 0 50 GJAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCc3cnn(C)c3C)c2c1 6789035 KCKOVGUZBIWNRD-UHFFFAOYSA-N 398.510 4.799 0 50 GJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C/C=C/c2ccco2)CC1 11843643 WWNASHUQVUHXBQ-FARCUNLSSA-N 376.456 4.904 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)c(F)c1 11844178 STWUWHGLKIFYMZ-NRFANRHFSA-N 381.451 4.920 0 50 GJAA Cn1c([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)nc2ccccc21 11935959 SFMZUCBLEBSWCA-QHCPKHFHSA-N 382.467 4.795 0 50 GJAA Cc1c(C(=O)NC(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12 12218015 UQEBCICUXSCBMV-UHFFFAOYSA-N 396.541 4.965 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)(C)C)C3)s1 12279988 HKBUSQOXVDLMEG-HNNXBMFYSA-N 389.492 4.613 0 50 GJAA CCn1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)n1 15063657 IYZUFGKOIIEVFT-HXUWFJFHSA-N 377.536 4.509 0 50 GJAA O=C(CCC(F)(F)F)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67920292 CSKDZEWNBDPZMU-UHFFFAOYSA-N 399.796 4.776 0 50 GJAA Cc1nc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c2ccsc2n1 72447289 NNTMIMLIOLZQOT-HNNXBMFYSA-N 380.300 4.884 0 50 GJAA O=C(c1cc2c(s1)-c1ccccc1CC2)N(C[C@@H]1CCCO1)c1ccncc1 114135942 NKKMNJWGPRTFPM-IBGZPJMESA-N 390.508 4.735 0 50 GJAA COc1ccc(C(=O)CCCCCC(=O)Nc2ccc(C)cc2CN(C)C)cc1 170608373 XZHQIHHLGNDLDX-UHFFFAOYSA-N 396.531 4.837 0 50 GJAA O=C(Nc1c[nH]nc1-c1nccs1)c1csc(-c2ccc(Cl)s2)n1 225569043 VSLJUWJIZKGGGX-UHFFFAOYSA-N 393.906 4.624 0 50 GJAA Cc1ccc2nc(Nc3cc(Cl)ccc3Cl)nc(-c3ccccc3)c2c1 239367158 AHVGPRALMVJVNK-UHFFFAOYSA-N 380.278 6.656 0 50 GJAA O=C1O[C@@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 246498332 AVMRGZGIBIDZSR-UGKGYDQZSA-N 375.472 4.720 0 50 GJAA O=C(CCc1ccc(-c2cccs2)o1)N(Cc1ccccn1)C[C@@H]1CCCO1 952977833 JRFGILKVYUAFSW-IBGZPJMESA-N 396.512 4.544 0 50 GJAA COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 1776004132 KTOPFINQZZDHNG-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2ncccc2c1 2325822840 RHVMXLBAFOTESF-UHFFFAOYSA-N 380.875 4.880 0 50 GJAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 676875 DENOVYSWMHEDID-CYBMUJFWSA-N 387.501 4.554 0 50 GJAA O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 755291 ZTDVFYHZXMOGPE-UHFFFAOYSA-N 399.800 4.839 0 50 GJAA CC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 947673 PWKBOGCKSKQLDG-UHFFFAOYSA-N 398.534 4.857 0 50 GJAA C[C@H]1CCCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 4183072 UHSNXGHTSUFAOZ-BERWSQRFSA-N 383.576 4.626 0 50 GJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 4488955 TZIQOKGIHOUJET-CYBMUJFWSA-N 379.378 4.977 0 50 GJAA CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl 5908144 BUWZYNWNUYYWDY-RTHLEPHNSA-N 386.304 4.641 0 50 GJAA Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)o2)cc1 6751517 FJCNEUXGOTUCMM-KWMCUTETSA-N 395.524 4.570 0 50 GJAA CN(C)c1ccccc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 11660998 XFTGZOIRMLTALR-OAQYLSRUSA-N 386.495 4.641 0 50 GJAA Cc1ncsc1C(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 12429668 BDZJFMQHKPFFGE-HSZRJFAPSA-N 397.588 4.703 0 50 GJAA CCOc1ccc(C[C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OCC 20255279 VQAZFFDEYWLNPR-FQEVSTJZSA-N 399.531 4.711 0 50 GJAA O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21 37866146 KHJFBUUFMUBONL-UHFFFAOYSA-N 376.459 4.793 0 50 GJAA biogenic,in-vitro CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 95524341 ISZHILLZZXJQKP-OAHLLOKOSA-N 379.426 4.722 0 50 GJAA COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1 96940334 DMNOVGJWPASQDL-OAQYLSRUSA-N 386.561 4.693 0 50 GJAA in-man CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 245255872 MCTDXPDDZLFJHR-FVLCUVFVSA-N 382.500 4.941 0 50 GJAA Cc1cc(C)n(-c2ccc(C(=O)Nc3ncc(C)c(-c4ccccc4)n3)cc2)n1 253429353 SVLCHQFTHAGNAE-UHFFFAOYSA-N 383.455 4.507 0 50 GJAA Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 263588424 UBTQRRPEJHGNEL-NRFANRHFSA-N 378.520 4.905 0 50 GJAA COC(=O)c1ccc(COc2ccc3occ(C(=O)c4ccccc4)c3c2)o1 334160988 QEXBEEYBCXXDKQ-UHFFFAOYSA-N 376.364 4.622 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N(CC)C4CCCC4)csc3C2)nc1 426386238 ACASPEFYSBNVMQ-UHFFFAOYSA-N 397.588 4.669 0 50 GJAA O=C1C[C@H](C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c2ccccc21 475263402 YFCWAUYANDARLI-JTDLUNDZSA-N 393.486 4.770 0 50 GJAA COc1ccccc1N1CC[C@@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 482118495 IBAJPOZWUWYYTM-PMACEKPBSA-N 387.527 4.934 0 50 GJAA COc1ccc(NC(C)(C)C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 952967269 ZLGNVVMXPJXSFN-UHFFFAOYSA-N 380.410 4.563 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccc(Cl)cc1Cl 648260 BJJJQPIWYCUXKQ-UHFFFAOYSA-N 386.300 4.975 0 50 GJAA O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2)n1-c1cccc(Cl)c1 752752 WPYGRQTXWXUSEV-UHFFFAOYSA-N 398.853 4.892 0 50 GJAA Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21 1120938 YKJRIVBQANWRTI-SANMLTNESA-N 396.490 4.692 0 50 GJAA Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(Br)c1 1218569 MTUFRPKXWUPSRO-UHFFFAOYSA-N 395.105 4.865 0 50 GJAA O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1233143 KZJBLWOEGNLQQH-UHFFFAOYSA-N 388.044 4.796 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1)c1ccnn1S(=O)(=O)c1ccc(Cl)cc1 1399910 HMFRSZJRMIDRGJ-LBPRGKRZSA-N 397.283 4.567 0 50 GJAA O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NC1CCCCCC1 1422713 JLUHHVWHCQXMGL-UHFFFAOYSA-N 380.513 4.773 0 50 GJAA CC(=O)N(C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2132472 ZBODZLFVHWMJLR-UHFFFAOYSA-N 395.286 4.774 0 50 GJAA CCN(CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl 2954509 BJVKKGWBWFETGR-IBGZPJMESA-N 392.330 4.902 0 50 GJAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 2977905 AZHCLXPEJGYIFZ-UHFFFAOYSA-N 378.859 4.702 0 50 GJAA COc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1 4777229 ZITHJEQVXURXAU-UHFFFAOYSA-N 397.481 4.691 0 50 GJAA CCCCN(CCCC)C(=O)CSc1nnc(-c2ccccc2Cl)o1 4989819 YISSHIYXIFWXJP-UHFFFAOYSA-N 381.929 4.911 0 50 GJAA O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn12 8381345 OQPARRPBFWSFFU-UHFFFAOYSA-N 391.474 4.871 0 50 GJAA Cc1cnccc1CNC(=O)C[C@H](c1cccc(Cl)c1)c1ccccc1O 11665260 HHLUTTLVVWQYGV-HXUWFJFHSA-N 380.875 4.587 0 50 GJAA CC[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12000599 GQENRURTKVDFCI-RCZVLFRGSA-N 392.543 4.602 0 50 GJAA COc1ccc2[nH]c(CN[C@@H](C)c3cnn(-c4cccc(F)c4)c3C)c(C)c2c1 12076298 KBTMQVVTSKMOJW-HNNXBMFYSA-N 392.478 4.969 0 50 GJAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCC(c3ccccc3)CC2)no1 12748234 ZNHKEGXVWSDTFT-UHFFFAOYSA-N 390.483 4.890 0 50 GJAA Cc1c(C(=O)NCC2CCCCC2)sc2ncnc(NCc3ccco3)c12 14988273 BEOMHNPFNWEOMQ-UHFFFAOYSA-N 384.505 4.515 0 50 GJAA COc1cccc(NC(=O)CCC2CCN([C@H](C)COc3ccccc3)CC2)c1 15073652 ALIMHAMNWVOUJQ-LJQANCHMSA-N 396.531 4.593 0 50 GJAA Cc1cccc(C)c1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18246888 XHSRYWPZUVWILK-MYNGYRLFSA-N 379.459 4.700 0 50 GJAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 71311824 ATIGJKUHYVMHFE-NBQZKYEYSA-N 395.886 4.646 0 50 GJAA O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCCCC[C@H]1c1ccncc1 170607615 CZKMBGIIUMIBMW-NRFANRHFSA-N 381.495 4.969 0 50 GJAA O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1 170641989 LMEOZXBIOUKLAS-UHFFFAOYSA-N 395.459 4.726 0 50 GJAA C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)N[C@H](c2ccccc2)c2cccs2)o1 229675110 OWZMHOVTYYKDAE-BVZALQNUSA-N 394.540 4.802 0 50 GJAA FC(F)(F)c1cnc(CN2CCN(c3ccccc3Cl)CC2)c(Cl)c1 263639929 OWZQTJQDKDSDJJ-UHFFFAOYSA-N 390.236 4.729 0 50 GJAA O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(Cl)c(C(F)(F)F)c1 1340877086 LXYJUTJXQMLYRS-UHFFFAOYSA-N 394.780 4.986 0 50 GJAA CCN(CCC(=O)OC)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 1351134524 KNYQPJAZZZJPDK-UHFFFAOYSA-N 386.300 4.747 0 50 GJAA COc1ccc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)nc1 2325875844 DCMGWUJMMVXKFL-UHFFFAOYSA-N 394.496 4.502 0 50 GJAA CC1=CC2(CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)OCC1 2356135992 BPNVYDLJYMEEGA-UHFFFAOYSA-N 399.494 4.638 0 50 GJAA Cc1cc(C)n(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n1 626759 KBLGWOIMDAGJFS-INIZCTEOSA-N 388.298 4.976 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 636626 GLSIKRVADJSGFY-UHFFFAOYSA-N 391.286 4.991 0 50 GJAA Cc1cc(C)cc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 942590 JMZBFYMITBQZFM-UHFFFAOYSA-N 382.412 4.533 0 50 GJAA COc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 993067 XIZUHUFZTLLIHQ-UHFFFAOYSA-N 395.842 4.863 0 50 GJAA COc1cc(OC)c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 1110446 DSCHQLRKBXOXPC-UHFFFAOYSA-N 378.428 4.708 0 50 GJAA CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)c3cccc(C)c3C)c2)c1 1215394 WDTBMOFHHOFGHY-UHFFFAOYSA-N 387.435 4.712 0 50 GJAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 4488956 TZIQOKGIHOUJET-ZDUSSCGKSA-N 379.378 4.977 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2C)c1 12386470 DZPWZWITBPWAHA-DEOSSOPVSA-N 381.479 4.968 0 50 GJAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12611994 FAVIAMHFIKAJLU-OAQYLSRUSA-N 397.563 4.963 0 50 GJAA O=C(c1ccc(OC2CCN(CC3CCCCC3)CC2)cc1)N1CCCCC1 14965048 ZDDKCZHVSROBGY-UHFFFAOYSA-N 384.564 4.736 0 50 GJAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)c2ccoc2C)c1 55568786 JXOJDKUVUKBSKV-INIZCTEOSA-N 391.471 4.676 0 50 GJAA CC(C)CC(=O)Nc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)cc1F 186271874 RXNDJKIHSSKQMU-AWEZNQCLSA-N 384.451 4.670 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccco1 243932509 BWINNIQKHYHVGB-CWBXHPNXSA-N 383.447 4.518 0 50 GJAA CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500037 UORSHAGGYHADPG-GKBQXGCYSA-N 387.564 4.632 0 50 GJAA biogenic COC(=O)[C@H](c1ccccc1C(F)(F)F)N(C)Cc1cccc2[nH]ccc12 494081186 XPFPZKFUVYXJIK-SFHVURJKSA-N 376.378 4.533 0 50 GJAA Cc1nc(NC(=O)[C@H](C)c2nnc(O)c3ccccc23)cc(-c2ccccc2)c1C 1857721375 LXCFKZMSCYBOAQ-OAHLLOKOSA-N 398.466 4.756 0 50 GJAA Cc1ccc(NC(=O)C[C@H](C)n2nc(C)c(Br)c2C)cc1Cl 1070561 ZZBAIUQJIDWQME-JTQLQIEISA-N 384.705 4.814 0 50 GJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2463924 ONRXQJYDOVSGII-PHIMTYICSA-N 385.357 4.818 0 50 GJAA O=S(=O)(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1 2790860 YFTLJABQROLLQB-UHFFFAOYSA-N 397.887 4.539 0 50 GJAA O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccccc2)on1 2795404 GCOFETOEWKKAKM-UHFFFAOYSA-N 396.809 4.631 0 50 GJAA CCCCC1CCC(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1 2866573 SVAPNLHNCQOACB-UHFFFAOYSA-N 394.562 4.635 0 50 GJAA CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 2912735 CPSAQGBZBVJGGR-SFHVURJKSA-N 380.473 4.552 0 50 GJAA O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 2980943 DJHAQVWKCRVZDC-UHFFFAOYSA-N 391.880 4.729 0 50 GJAA Cc1ccc(CN(C)[C@H](c2ccccc2)c2nnnn2-c2ccccc2C)c(C)c1 5032347 VEMCWZUNGNLYDS-XMMPIXPASA-N 397.526 4.809 0 50 GJAA O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCCCC1)c1ccccc1 5059071 OCEJJKKSHFYPGS-SILNSSARSA-N 382.891 4.514 0 50 GJAA CCOc1cccc(C(=O)Nc2nnc(CSCc3ccccc3)s2)c1 5199566 KPJQGDXQDWYADJ-UHFFFAOYSA-N 385.514 4.623 0 50 GJAA COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC 12437020 MGNCWMZKPRYJJK-HYBUGGRVSA-N 386.451 4.946 0 50 GJAA COc1cccc(CNCC[C@@H]2CCC(=O)N2[C@@H](C)c2ccc(Cl)cc2)c1 14884097 MQNXLUZZVRFOQD-JXFKEZNVSA-N 386.923 4.581 0 50 GJAA O=C(c1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19597043 SNFJBJIFGXHDDT-UHFFFAOYSA-N 390.914 4.887 0 50 GJAA Cc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Nc1cccc2ccccc12 20606816 XCZOUTWEIYWKMJ-CYBMUJFWSA-N 390.409 4.821 0 50 GJAA COC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cccc4ccccc34)nc21 20615395 JSCBVFMHWLZLPX-UHFFFAOYSA-N 381.382 4.671 0 50 GJAA CN(Cc1csc(-c2ccccc2)n1)Cc1nc(CCc2ccccc2)no1 20780511 DZGLFHAOOHGREV-UHFFFAOYSA-N 390.512 4.610 0 50 GJAA Cc1ccccc1OCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 22135458 SCAYGXBISKTHDE-UHFFFAOYSA-N 390.464 4.995 0 50 GJAA O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 67884675 KGHUBMHYUIAUGK-UHFFFAOYSA-N 384.483 4.502 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)c1cccs1 76837363 UVQLGNKEHWNWTR-HNNXBMFYSA-N 399.947 4.592 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N(Cc1ccccc1)C[C@@H]1CCCO1 82108572 DLESQQXLVMRTQY-INIZCTEOSA-N 384.526 4.693 0 50 GJAA Cc1n[nH]c(-c2cccc(NC(=O)N(Cc3ccsc3)C3CCCC3)c2)n1 96149653 WQRVHYGVWSNAQF-UHFFFAOYSA-N 381.505 4.818 0 50 GJAA O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)C1CCN(C2CC2)CC1 192563428 FIJKOHRDXDHEPO-UHFFFAOYSA-N 395.450 4.642 0 50 GJAA Cc1cc(NC(=O)N2CCC[C@@]2(CO)CC(C)C)ccc1Oc1cccnc1 252503083 UYECCNSIFBYJQI-QFIPXVFZSA-N 383.492 4.587 0 50 GJAA C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 253630177 VIPVIVWYOPTEQP-LBPRGKRZSA-N 389.427 4.935 0 50 GJAA CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1ccc(N2CCCCC2)cc1 952989798 PJUPPQKPLWIWDG-UHFFFAOYSA-N 396.922 4.521 0 50 GJAA O=C(NCCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 1089561 NCRGMRNCZDGPKR-UHFFFAOYSA-N 387.302 4.545 0 50 GJAA Cc1cccc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c1 2796585 AJLNOMOCMFOLEY-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA O=C1NC2=Nc3ccccc3SC(c3ccccc3)=C2[C@@H](c2ccc(O)cc2)N1 5101769 ATFQGHUFGOMZSN-HXUWFJFHSA-N 399.475 4.993 0 50 GJAA Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 6718813 MPVGZUGXCQEXTM-UHFFFAOYSA-N 375.407 4.904 0 50 GJAA investigational COC[C@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 12093360 XXHJQUJABQDDKI-IBGZPJMESA-N 393.506 4.845 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCCc4ccccc4)C3)C2)c1 12586486 KUJXHNURYWYVPG-AREMUKBSSA-N 390.571 4.832 0 50 GJAA Cc1ccc(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c(C)c1 15069937 GEMWYBWOQVGDIH-NRFANRHFSA-N 397.538 4.861 0 50 GJAA O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(Cl)ccc1Cl 114647255 CEFUXRNVJMETKB-UHFFFAOYSA-N 396.661 4.669 0 50 GJAA Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)o1 226851972 KBVPLVCXWSYUCV-FQEVSTJZSA-N 391.423 4.643 0 50 GJAA Cc1ccnc2sc(C(=O)N[C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c(C)c12 252550586 SUKIEIYPQZBGKZ-IEBWSBKVSA-N 393.556 4.554 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)ccc2N1 292964789 PLGBMJRZJLUXLJ-OAQYLSRUSA-N 375.472 4.721 0 50 GJAA CC[C@@H]1C[C@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 328595387 TVLYCKCDXQFCLX-UKRRQHHQSA-N 380.326 4.669 0 50 GJAA Cc1ccc(F)cc1CNC(=O)c1oc2ccc(Br)cc2c1C 334161808 FWHCKBXGUPNQMU-UHFFFAOYSA-N 376.225 4.881 0 50 GJAA CN(C)CC(C)(C)NC(=O)c1cccc(-c2ccc3cccc(Cl)c3n2)c1 426544585 ZALYELNQGZOYCE-UHFFFAOYSA-N 381.907 4.625 0 50 GJAA C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 741658450 YNBRYQXUQILBHV-ZCYQVOJMSA-N 379.463 4.757 0 50 GJAA Cc1nc([C@H](C)N(C)C(=O)c2ccc(N3CCCC3)c(Cl)c2)c(C)s1 1506341800 STSVEGWPYNQEID-LBPRGKRZSA-N 377.941 4.847 0 50 GJAA O=C(c1cccc(-c2ccccc2F)c1)N1CCC[C@@H](OCc2ccccn2)C1 1506400003 LGDDSOGULQPEAJ-OAQYLSRUSA-N 390.458 4.709 0 50 GJAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NC1(C)CCCCC1 1704315568 KPMGYYVWIBFBHJ-UHFFFAOYSA-N 391.899 4.506 0 50 GJAA Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1Cl 753588 XNWDSBUGOCKABZ-YBFXNURJSA-N 392.867 4.679 0 50 GJAA Cc1ccc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 1056935 OZQSCHUKILLJML-UHFFFAOYSA-N 391.492 4.946 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(SCc3ccco3)sc2Cl)cc1 1122612 LKASYOKMTMKTAP-UHFFFAOYSA-N 385.919 4.823 0 50 GJAA O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)c2cc3c(cc2N1)OCCO3 1460051 SWBHATCQGBMIEP-IBGZPJMESA-N 387.435 4.511 0 50 GJAA COc1ccc(N2C(=O)/C(=C/Nc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1 2213901 WYIJNDYHDMUUGT-HZHRSRAPSA-N 398.462 4.952 0 50 GJAA O=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(Cl)cc2Cl)n1 2794684 PJMSKVCULFUUQP-UHFFFAOYSA-N 398.196 4.757 0 50 GJAA O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 2798233 RGRZXGNLHTZDOD-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC([C@@H](O)Cc2ccccc2)CC1 11703392 DCZQSSWQASELPJ-FQEVSTJZSA-N 382.529 4.527 0 50 GJAA Cc1ccc(-n2cccn2)c(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12583779 RKGGYACQQZAJDN-KRWDZBQOSA-N 389.478 4.665 0 50 GJAA COc1cccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1OC 15079324 RROSWBKVAQQGSR-NRFANRHFSA-N 391.515 4.674 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(CC=C(C)C)C2)cc1 15080618 UZGIRCKOGMWGPF-FQEVSTJZSA-N 378.516 4.979 0 50 GJAA CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=N)oc2c1 17081798 AEDRWKCHVMKLQJ-UHFFFAOYSA-N 399.878 4.673 0 50 GJAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(CC(C)C)on1 20294364 PSEBNOLZTGVQSB-UHFFFAOYSA-N 386.883 4.640 0 50 GJAA CCNCc1cccc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 123742870 ASNQMRQOEAJWMJ-UHFFFAOYSA-N 395.528 4.946 0 50 GJAA COc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2OC)c1 225496245 ARDAVOWZNFBNQA-LJQANCHMSA-N 392.480 4.757 0 50 GJAA CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCCC[C@H]12 230026028 ZHLGTXFDXWAOFS-UNMCSNQZSA-N 379.891 4.664 0 50 GJAA C[C@]12C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 239439301 ZSKAQNWUVBHSQO-WYZBGUQQSA-N 395.458 5.334 0 50 GJAA Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 442200939 NHBCHQCUSNZSMP-LJQANCHMSA-N 386.451 4.639 0 50 GJAA CCNC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(C)c1 489396208 VCAGGTUYLJLDPZ-CQSZACIVSA-N 389.499 4.603 0 50 GJAA O=C(NCc1coc2cc(Cl)ccc12)Nc1ncc(C(F)(F)F)s1 1875268876 YMMDXDCTDDRYSM-UHFFFAOYSA-N 375.759 4.883 0 50 GJAA COc1cc(C2CN(Cc3c(Cl)cccc3Br)C2)ccc1F 2325828099 YQFJWCZOONMKMT-UHFFFAOYSA-N 384.676 4.850 0 50 GJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1ccccc1 659310 WFUOGVLDAWRWGJ-UHFFFAOYSA-N 375.255 4.929 0 50 GJAA CCN(C1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 941298 ZHZLJALGRBAFHK-UHFFFAOYSA-N 395.673 4.844 0 50 GJAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Cl)cc1 1209078 RYMIHAYFDFIWMV-UHFFFAOYSA-N 376.799 4.761 0 50 GJAA Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 1209709 SJGSFYKARRMCQS-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA S=c1sc2c(N3CCc4ccccc4C3)ncnc2n1-c1ccccc1 1437224 WEBRFIGUFSRQEB-UHFFFAOYSA-N 376.510 4.774 0 50 GJAA CCOP(=O)(OCC)C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl 2674918 LLQXZNLVEOVESN-UHFFFAOYSA-N 386.599 4.940 0 50 GJAA CC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 3128523 XBGKQBBGYBSQGR-UHFFFAOYSA-N 378.664 4.650 0 50 GJAA O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1ccc(Br)cc1 5124356 JPKZHMVRSDJVDK-UHFFFAOYSA-N 383.270 4.886 0 50 GJAA CCn1c(CN2CCC(CO)(CCCc3ccccc3)CC2)nc2ccccc21 11663567 DIWNCYSIJCMLEP-UHFFFAOYSA-N 391.559 4.654 0 50 GJAA CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 11813026 TVBDSSQNKIUKHR-SFHVURJKSA-N 383.875 4.586 0 50 GJAA C[C@@H](c1ccccn1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 11820538 AKZMVEIFYOALHF-HNNXBMFYSA-N 389.430 4.786 0 50 GJAA COCCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C(C)C 12507330 DKWRCOKZHSAJJA-UHFFFAOYSA-N 379.504 4.736 0 50 GJAA CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3C)ccc21 15669137 NDWXSZDHONVXDP-UHFFFAOYSA-N 387.487 4.560 0 50 GJAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 16511640 WWHDFHRORGZPSL-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(Nc1ccncc1)c1ccc([C@H]2CCCN2C(=O)CC2=CCCCC2)s1 20909461 HOLAPSDWHGMASV-GOSISDBHSA-N 395.528 4.949 0 50 GJAA CCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 36619727 MJXNAPVQEJHTCE-RJYAGPCLSA-N 392.927 4.556 0 50 GJAA CCn1c(-c2c(-c3ccccc3)ncn2Cc2cc(C)n[nH]2)nc2ccccc21 67458426 DUHOAVMKSRZIFK-UHFFFAOYSA-N 382.471 4.667 0 50 GJAA O=C(c1ccncc1F)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71761491 QTYDQWNDPUFZMM-CQSZACIVSA-N 380.385 4.725 0 50 GJAA Cc1ccccc1-c1nc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cs1 175468610 DCEFJJGWVMFPRT-UHFFFAOYSA-N 393.468 4.636 0 50 GJAA C[C@H](NC(=O)NCc1cccc2c1OCCCO2)c1csc2ccccc12 769995337 LMMIVKGYTKSZRX-AWEZNQCLSA-N 382.485 4.623 0 50 GJAA O=C(C[C@H]1CCNC[C@H]1F)NCc1ccccc1-c1ccc(Cl)cc1Cl 952964408 ZNZVZPWDFTUUPE-BFUOFWGJSA-N 395.305 4.614 0 50 GJAA Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc(-n4ccnc4)cc3C)CCO2)cc1 2325742615 MKBBJKIPBRTBAD-IRLDBZIGSA-N 376.456 4.566 0 50 GJAA COc1cc(NCc2ccc(OC)c(OCc3ccccc3)c2)cc(OC)c1 1229392 NVIKECXEHOHLLJ-UHFFFAOYSA-N 379.456 4.904 0 50 GJAA Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 2198936 ZBGDDZZNEXOKPU-INIZCTEOSA-N 391.858 4.603 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 2858115 QCBNRLSGPDDNMC-UHFFFAOYSA-N 388.714 4.829 0 50 GJAA CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 2874186 UENUNPWAVWHKEH-GOSISDBHSA-N 380.473 4.552 0 50 GJAA CCc1cc2c(=O)c(-c3ccc(C(C)C)cc3)coc2cc1OCC(=O)OC 4833562 ZUCLVFYNOUFCCC-UHFFFAOYSA-N 380.440 4.698 0 50 GJAA O=P(Oc1ccc(Cl)cc1)(Oc1ccc(Cl)cc1)N1CCOCC1 5715466 FMAPRVFDMVPUSW-UHFFFAOYSA-N 388.187 4.892 0 50 GJAA CC(C)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 7595926 NELRFZDWGQYKQB-UHFFFAOYSA-N 397.478 4.826 0 50 GJAA CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1 11773745 BMTBVPMPNYZZID-LJQANCHMSA-N 384.520 4.876 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc4ccccc4o3)C2)cc1OC 14979345 PBTKZXAJBUGOMB-SFHVURJKSA-N 379.456 4.545 0 50 GJAA Fc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1Br 55543934 WXGJVHTXPKIJHV-UHFFFAOYSA-N 383.692 4.564 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c2cccc(C)c2n1 216496381 FHEWVBJNNGLKKT-SFHVURJKSA-N 376.504 4.649 0 50 GJAA Cc1sc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1-c1ccc(F)cc1 252537143 KKUPXABXGYGNJC-MRXNPFEDSA-N 394.471 4.718 0 50 GJAA CC(C)(O)CCc1ccc(C(=O)Nc2ccccc2CN2CCCCC2)cc1 828157164 GSNKJQAOCOTDHY-UHFFFAOYSA-N 380.532 4.628 0 50 GJAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cccc(OCc2c(F)cccc2Cl)c1 828869986 HITHMNMNNBNUEF-FVQHAEBGSA-N 375.871 4.546 0 50 GJAA Cc1ccc(-c2ccsc2C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 1301412006 KIVLNNGBCOHQSY-QGZVFWFLSA-N 391.414 4.604 0 50 GJAA COc1cc(N[C@@H]2CCCN([C@@H](C)c3ccc4c(c3)CCC4)C2)cc(OC)c1 1459694753 NPEFEFDIIZMUFA-LAUBAEHRSA-N 380.532 4.830 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 1875390495 CVNYHSDFZXHMMJ-UBULTCHHSA-N 390.564 4.686 0 50 GJAA CCOc1ccc(-c2nccn2C[C@@H](C)OC)cc1-c1ccc(OC)c(F)c1 2356161698 FXLGLQNXOBAXQP-OAHLLOKOSA-N 384.451 4.798 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n(C)c1C 653399 SAQVUZJVZVHAMT-UHFFFAOYSA-N 379.456 4.861 0 50 GJAA CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1cccnc1 937570 KLPZVNWGZVRTNQ-UHFFFAOYSA-N 380.469 4.802 0 50 GJAA COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1 1114142 UZNUUXOTNVDAQH-HXUWFJFHSA-N 396.284 4.977 0 50 GJAA Cc1ccc(-c2nn(CC(=O)Nc3cc(C)ccc3C)c(=O)c3ccccc23)cc1 1239749 HHIOHLNVNUXNCW-UHFFFAOYSA-N 397.478 4.627 0 50 GJAA CCOC(=O)[C@@H](Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)c1ccccc1 3201353 ONTAZNPFOLQSJF-QFIPXVFZSA-N 392.451 4.663 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc4sc(N)nc4c3)C2)cc1 11665195 PPXMXRUNGMAMGZ-GOSISDBHSA-N 394.544 4.719 0 50 GJAA COc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1OC 12058193 ZAZBLCOLOKQIOG-UHFFFAOYSA-N 386.879 4.953 0 50 GJAA c1ccc(N2CCN([C@@H]3CCCN(Cc4cc5ccccc5s4)C3)CC2)cc1 23374890 XSERZDCOXUIGCZ-JOCHJYFZSA-N 391.584 4.688 0 50 GJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@H](CO)Cc1ccc(Cl)cc1 67895836 MTTJIQWMCJNZDI-IBGZPJMESA-N 392.890 4.678 0 50 GJAA CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C=O)cccc2-c2ccccc2)C1 118862635 CBWPIAQEJKRGGB-LJQANCHMSA-N 380.488 4.660 0 50 GJAA CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(-c2ccccc2)no1 238937279 UXMBLGSAWABRQJ-IBGZPJMESA-N 388.427 4.519 0 50 GJAA CC1(C)CCc2ccccc2[C@@H](NC(=O)NCc2cc(O)nc3ccccc23)C1 442099173 RRVPIQWIQUQQSL-NRFANRHFSA-N 389.499 4.843 0 50 GJAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)c1 563830023 QIHJIGBVYWGMHK-HSZRJFAPSA-N 378.516 4.658 0 50 GJAA Cn1cc(CN(Cc2ccccc2OCc2c(F)cccc2Cl)C2CC2)cn1 825655273 KISYEEHXKWGQAL-UHFFFAOYSA-N 399.897 4.956 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cn1 952974668 WVHFUKLHDMNCJR-UHFFFAOYSA-N 387.395 4.790 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(CC(C)C)oc2NCc2ccccc2)cc1 626223 JYTDTPBDUHNGBA-UHFFFAOYSA-N 384.501 4.626 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(C)c1Cl 1151433 UAEQSVCNNSBWQU-UHFFFAOYSA-N 398.846 4.820 0 50 GJAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2754730 KYLLGCLZUYTHTL-IAGOWNOFSA-N 378.453 4.569 0 50 GJAA Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Br 4785005 HYMXJFYEZKFDPW-UHFFFAOYSA-N 392.337 4.530 0 50 GJAA Clc1cccc(-c2noc(CN3CCC(c4nc5ccccc5[nH]4)CC3)n2)c1 11664559 FBJYCXNCIVBNCH-UHFFFAOYSA-N 393.878 4.646 0 50 GJAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)cc1 12434913 RGGOWBVBHZPPLO-FQEVSTJZSA-N 376.456 4.672 0 50 GJAA C[C@H]1CCCCN1C(=O)c1cc(-c2cnn(C(C)(C)C)c2)nc2ccccc12 63881895 GPDBIUAINNKQBX-INIZCTEOSA-N 376.504 4.868 0 50 GJAA CC(C)(C)NC(=O)Nc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 96132246 XYDFGMMPDFDGRK-UHFFFAOYSA-N 379.504 4.900 0 50 GJAA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239339070 LQRFBQYOWQVTGJ-WIOUJZMWSA-N 398.300 5.444 0 50 GJAA Cc1ccc2c(C)nc(N3CCC[C@H](N[C@H](C)CCCC(C)(C)O)CC3)nc2c1 299770841 RVRGWACUIKBZQQ-QUCCMNQESA-N 398.595 4.525 0 50 GJAA CC(C)c1noc2ncc(C(=O)N3CCC[C@@H]3c3cn(C)c4ccccc34)cc12 1875347521 WMSLZXBHXJCDKV-HXUWFJFHSA-N 388.471 4.815 0 50 GJAA CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Cl 1110388 IBXHVHJYJKWHQJ-UHFFFAOYSA-N 382.685 4.991 0 50 GJAA COc1ccc2nc(NC(=O)c3cc(Br)ccc3Cl)sc2c1 1216541 WBNDPQLJIHEIQR-UHFFFAOYSA-N 397.681 4.973 0 50 GJAA CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 2050755 QRSLRXUVFQWVPM-UHFFFAOYSA-N 387.501 4.845 0 50 GJAA COCCCNC(=O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 2082549 XSWONZXNFCXOPK-UHFFFAOYSA-N 397.478 4.730 0 50 GJAA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccncc3)s2)cc1 2503275 AKDFTDWEOZBABP-IRXDYDNUSA-N 378.501 4.640 0 50 GJAA CCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 2911578 DUOOEYXUFNFIHQ-IBGZPJMESA-N 394.500 4.943 0 50 GJAA Cc1ccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 4176796 KPFUWROQPLANME-HXUWFJFHSA-N 396.537 4.905 0 50 GJAA aggregator CCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 4358679 DYAATLXOPBUXJE-UHFFFAOYSA-N 384.476 4.629 0 50 GJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1 4724797 FBGDQCIZFYVPOZ-KAMYIIQDSA-N 375.447 4.704 0 50 GJAA COc1c(Cl)cc(C(=O)Oc2cccc(Br)c2)cc1Cl 4810888 VMJDIDYNPPNSCB-UHFFFAOYSA-N 376.033 4.984 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc2cccnc12 5027985 SRHACADHLWAQSH-UHFFFAOYSA-N 379.529 4.654 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 12612582 KCYVVLAXGWXYOT-QGZVFWFLSA-N 395.890 4.793 0 50 GJAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@@H](C(=O)CC(C)C)C1 12758022 AUPFLBDMBWPGAU-OAHLLOKOSA-N 376.447 4.755 0 50 GJAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 17081216 LXULDCFXHOSSLS-MNOVXSKESA-N 397.283 4.722 0 50 GJAA COc1cc(OC)c(CN2CCCC[C@@H]2c2cccnc2)cc1Br 22023287 APWRCHCJBPFIFW-QGZVFWFLSA-N 391.309 4.589 0 50 GJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)cc1 36620862 ZUPGHKQZZGBRHD-KRWDZBQOSA-N 393.256 4.966 0 50 GJAA CCCCOc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95382016 AVIUWNATFFWANG-FGZHOGPDSA-N 392.543 4.602 0 50 GJAA Cc1ocnc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cc(F)ccc1F 95503945 MBGYHGPMZANDRC-NRFANRHFSA-N 393.393 4.530 0 50 GJAA CSc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 263619659 ZVDLUDIIBCPEQJ-LJQANCHMSA-N 390.468 4.594 0 50 GJAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccc(C(=O)N(C)C)s2)cc1 426620293 VFOJGKPFEUNBDV-GOSISDBHSA-N 382.529 4.688 0 50 GJAA CN(CC(=O)N[C@@H]1C[C@@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 2332239371 LICHQRAAHAXKSZ-OYRHQHFDSA-N 388.486 4.519 0 50 GJAA O=C(Nc1oncc1-c1ccc(Cl)cc1)[C@@H]1CCCN(C2CCCCC2)C1 2356167506 ZUTFRTMFXMDXKZ-MRXNPFEDSA-N 387.911 4.978 0 50 GJAA O=C(Cc1cccc2ccccc12)OCC(=O)c1ccc(Br)cc1 910533 AFQQHPRVCAFQNV-UHFFFAOYSA-N 383.241 4.571 0 50 GJAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CNc1cccc(Cl)c1Cl 990355 YLABCFBZJSCZAB-UHFFFAOYSA-N 390.053 4.966 0 50 GJAA CCOc1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc12 4577907 XSCGRRQEXIQVIO-UHFFFAOYSA-N 399.556 4.733 0 50 GJAA O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)CN(Cc1ccoc1)CC2 11998568 DRBHANURUCTHJX-UHFFFAOYSA-N 399.494 4.891 0 50 GJAA Cc1ccc(-n2cc(CNCCc3c(C)n[nH]c3C)c(-c3cccc(C)c3)n2)cc1 12196023 QONNOBKWNJMOTQ-UHFFFAOYSA-N 399.542 4.828 0 50 GJAA O=C(c1ccoc1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 12708690 JNOVRGLEURDBFP-UHFFFAOYSA-N 384.435 4.646 0 50 GJAA COc1cccc(CSc2nnc(-c3ccc(OCC(C)C)cc3)n2C)c1 13325580 QZWGGPOFIVSCEL-UHFFFAOYSA-N 383.517 4.818 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccccc1 13961578 ZFFVYYJVQXPLLU-JOCHJYFZSA-N 377.488 4.634 0 50 GJAA CC(=O)Nc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1 14958862 RUAGZOJGOMKHLB-XMMPIXPASA-N 390.458 4.920 0 50 GJAA Cc1ccccc1-c1nc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)c(C)o1 14973212 QWEWXSFBBZPKFA-MRXNPFEDSA-N 378.472 4.923 0 50 GJAA Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 16213868 TYFHRBFAHNBRSP-UHFFFAOYSA-N 390.508 4.656 0 50 GJAA O[C@](c1ccc(F)cc1)(C1CCCCC1)[C@@H](CN1CCOCC1)c1ccccc1 19229379 KIELZMVDBJNNDM-DQEYMECFSA-N 397.534 4.710 0 50 GJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)cc1 42453722 BHWAIPHVDDWOME-INIZCTEOSA-N 383.442 4.743 0 50 GJAA CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Nc1ccc(Cl)cc1 65364110 GYAMHIBKSNAKTA-UHFFFAOYSA-N 377.231 4.707 0 50 GJAA COc1cccc(C2=CCN(C(=O)Nc3cccc(-c4ncc(C)o4)c3)CC2)c1 170623356 XUFKVSCPUKOYMQ-UHFFFAOYSA-N 389.455 4.980 0 50 GJAA C[C@H](NCc1nc2c(F)cccc2[nH]1)c1cccc(OCc2ccccn2)c1 179689594 MIAMKOBFSKGLCD-HNNXBMFYSA-N 376.435 4.527 0 50 GJAA C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@H]1CCCC[C@H]1C 248625392 PETRTMUPNFJLGM-YCPHGPKFSA-N 375.563 4.522 0 50 GJAA CN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 329856249 UQEDNPDXQSHVTG-RXVVDRJESA-N 385.483 4.589 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C(C)C)[C@@H](c3ccco3)C2=C1O 409413753 HEPAUMLGVUSALM-FQEVSTJZSA-N 375.428 4.665 0 50 GJAA C[C@@H](N[C@H](C)c1nc(-c2ccncc2)cs1)c1ccc(N2CCCC2=O)cc1 1875256261 URVGMTGPBXOFND-HZPDHXFCSA-N 392.528 4.744 0 50 GJAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N(Cc1cccc(O)c1)CC1CC1 1875332253 PJFNVWIFRCXQGA-UHFFFAOYSA-N 397.478 4.988 0 50 GJAA O=C(N[C@@H]1CC[C@@H](C(=O)O)CCC1(F)F)c1csc(C2CCCCC2)c1 1875338996 SHRAYKUOLPVRAS-CZUORRHYSA-N 385.476 4.804 0 50 GJAA CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1cnc(C(=O)OC(C)(C)C)cn1 1875356121 GFJVFPKTKNORLW-TZIWHRDSSA-N 381.520 4.590 0 50 GJAA COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 677980 ZYKDMGIXHCJRIV-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA Cc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 707852 KYGBLMGIYKWMQM-UHFFFAOYSA-N 391.452 4.513 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(Cc2ccccc2)c1C 834001 RQTYFJBCAZSIRM-UHFFFAOYSA-N 383.444 4.825 0 50 GJAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 993980 ACFUBBJJETVQFH-ZDUSSCGKSA-N 387.501 4.699 0 50 GJAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 4698234 HLFOSOYWPOZMAE-GYVBGXKYSA-N 385.935 4.864 0 50 GJAA COc1ccc(-c2nc(CN(CC3CCC3)C[C@@H]3CCCO3)c(C)o2)c(F)c1 11761768 NYBMEPRQRJELTH-SFHVURJKSA-N 388.483 4.579 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 12448822 BNXUKBXEDPELLF-XMMPIXPASA-N 398.506 4.803 0 50 GJAA Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 19805575 SEIVTORZVHMTBH-UHFFFAOYSA-N 393.531 4.643 0 50 GJAA Cc1ccc(-n2cc(CN3CCC[C@@H](C(=O)c4sccc4C)C3)cn2)cc1 55368542 YGLIJFMTKOZJDB-LJQANCHMSA-N 379.529 4.646 0 50 GJAA O=C(NCCCNc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 110744936 MLHHEENIFLFSOR-UHFFFAOYSA-N 382.467 4.529 0 50 GJAA Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)ccc1Cl 169766500 GLVXDNVSFXLZLB-HXUWFJFHSA-N 397.906 4.693 0 50 GJAA O=C(O)CCCCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 170612886 YNYNYVXLMKICLL-UHFFFAOYSA-N 386.439 4.954 0 50 GJAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCCC2)CC1 176485054 SZPNCLITCCLBQW-KRWDZBQOSA-N 383.536 4.932 0 50 GJAA O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(Cl)c(F)cc2c1Cl 232314132 VZGJCGKFMOIBFG-UHFFFAOYSA-N 392.185 4.792 0 50 GJAA COc1ccccc1C(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 820640 NFTWXGFERUXIAW-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA CC(C)(C)c1ccc(OC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 978155 XTFFYHDWGUVGTQ-UHFFFAOYSA-N 381.350 4.760 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 1154422 OTCGOCHNYDRILY-OAQYLSRUSA-N 377.488 4.693 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl 1210721 DJJRDYPSZPODNS-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 1225921 UXVZGIQJMTUDIQ-FGEXJBCWSA-N 379.459 4.566 0 50 GJAA biogenic Cc1ccc(NC(=O)C[C@H](C(=O)O)[C@H](C)c2ccccc2)cc1Br 1427160 NSJSFJIQHVKZSR-CJNGLKHVSA-N 390.277 4.591 0 50 GJAA O=C(O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 1446230 DOHGOFAURHEKQT-UHFFFAOYSA-N 387.464 4.925 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@@H]4C)c3C)C2)cc1 4134283 WAMNGGJBOLUWGH-ZSOFBXJNSA-N 381.472 4.590 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(Cc4cc(C)n[nH]4)C3)c2)c1 12315921 LMCYEGSOYNQVMV-OAQYLSRUSA-N 388.515 4.544 0 50 GJAA CC[C@H](NC(=O)c1ccc2nc(-c3cccc(OC)c3)oc2c1)c1ccncc1 12319496 NLCKFPLFDHXTKA-IBGZPJMESA-N 387.439 4.780 0 50 GJAA CCCc1ccc2oc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)c(C)c2c1 12320696 SCJRWNWUOOHICR-FQEVSTJZSA-N 392.499 4.910 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1)NC1CC1 12754317 UQUCKPPCDFUNOY-HXUWFJFHSA-N 392.543 4.536 0 50 GJAA O=C(c1c(F)cccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20166353 BRPALXGSSFHSEU-UHFFFAOYSA-N 392.449 4.512 0 50 GJAA Cc1cc(CN(C)C(=O)c2cc(-c3cnn(C(C)C)c3)nc3ccccc23)ccn1 63868458 AFRHZTNBMUHCFW-UHFFFAOYSA-N 399.498 4.655 0 50 GJAA CC(C)c1cc(CN(C)C(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)on1 95496731 KIMDSHRHJQOIRD-UHFFFAOYSA-N 385.464 4.561 0 50 GJAA CCC(=O)Nc1ccc(Cl)c(NCc2nc(-c3ccc(C)c(F)c3)no2)c1 111188972 OILVTIJXXUGXOD-UHFFFAOYSA-N 388.830 4.798 0 50 GJAA CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1cccc(OC)c1 225781900 VUAYLRCHFONZFK-QGZVFWFLSA-N 394.327 4.657 0 50 GJAA COc1cc2c(cc1NC(=O)N1CCC[C@H]1c1ccn[nH]1)oc1ccccc12 225838118 JZPBLJLIGXAYGZ-KRWDZBQOSA-N 376.416 4.687 0 50 GJAA CC(=O)Oc1cc2c(cc1Br)[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 229809973 IGZVPNAJLMAGND-NKSTXHLWSA-N 391.305 4.800 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612309 HZUUHCXBSGFHDC-DNZRQFCJSA-N 376.537 4.750 0 50 GJAA CC[C@@]1(CO)CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3OC)cc2)C1 426479623 CIARLUQNXPSTIW-JOCHJYFZSA-N 387.907 4.640 0 50 GJAA Cc1cc(=O)c(O)c(-c2nc(-c3ccc(CC(C)C)[nH]3)[nH]c2-c2ccccc2)o1 1776111892 WDILNBSRHQLLAW-UHFFFAOYSA-N 389.455 4.905 0 50 GJAA C[C@H]1CN(C(=O)[C@H](c2ccccc2)n2cnc3ccccc32)Cc2ccccc21 1875259265 XIHYZUQGHZHKTC-UUOWRZLLSA-N 381.479 4.772 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1nc(-c2ccc(Cl)cc2)no1 1875332696 FOPFPSRMMWUEQN-UHFFFAOYSA-N 399.922 4.655 0 50 GJAA Cn1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)nc1-c1ccccc1 2325852591 LVOGIFUNJIXEAJ-UHFFFAOYSA-N 397.434 4.667 0 50 GJAA Cc1cc(C)n(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n1 626758 KBLGWOIMDAGJFS-MRXNPFEDSA-N 388.298 4.976 0 50 GJAA CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCCC3 731717 GSIHXVLDXSCEIM-UHFFFAOYSA-N 386.542 4.658 0 50 GJAA COc1ccc(N(C(=O)c2ccc(Cl)cc2)C2=C[C@H]3CC[C@@H](C2)N3C)cc1 848805 WANGWYYURVCAGD-MOPGFXCFSA-N 382.891 4.746 0 50 GJAA NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2 997691 BHIMTEIQCZPICX-UHFFFAOYSA-N 383.300 4.675 0 50 GJAA O=C(O)c1cccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)c1 1120690 LPPLXWYWWJADHU-UHFFFAOYSA-N 393.782 4.631 0 50 GJAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 1180050 HCVCPBQANMCXRD-AWEZNQCLSA-N 386.517 4.820 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 1808243 VYXPUIQWLSRETG-UHFFFAOYSA-N 383.488 4.959 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 2062116 NVTGNABQTQJELT-IBGZPJMESA-N 394.500 4.943 0 50 GJAA COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(C(C)C)cc2)cc1OC 4131064 HRHHBNDZGVKHKP-JOCHJYFZSA-N 385.529 4.644 0 50 GJAA CC(=O)Nc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 4190437 LSTQCMQSBHWXKZ-LJQANCHMSA-N 388.467 4.501 0 50 GJAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C1CCCC1)CC2 12478551 HSGVURSNVYRVOF-UHFFFAOYSA-N 378.516 4.567 0 50 GJAA C[C@@H](O)/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 13527467 BPHFBQJMFWCHGH-ZELGORGJSA-N 387.523 4.967 0 50 GJAA world O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(Cl)cc1F 20457465 RQUQKLIWRFRWSV-UHFFFAOYSA-N 375.831 4.749 0 50 GJAA Cc1cccc(-c2noc(CN(C)C(=O)CCCc3c[nH]c4ccccc34)n2)c1 55402035 UGDSLMVWTIVDGH-UHFFFAOYSA-N 388.471 4.508 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)Cc1cnccn1 72406928 VXQWGXVKRQCBDP-UHFFFAOYSA-N 386.455 4.864 0 50 GJAA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)c2C)c1 178811241 PRABKLOWUUEODF-HNNXBMFYSA-N 380.414 4.604 0 50 GJAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 252503738 VGJPZZQYGJLBKV-OAHLLOKOSA-N 396.434 4.803 0 50 GJAA C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 462269434 MCWADJXITWQXSQ-OYHNWAKOSA-N 377.488 4.797 0 50 GJAA CN(Cc1ccccc1NCc1ccnc2[nH]ccc12)C(=O)c1cccs1 2325728893 AOUOQHZCKGXXQM-UHFFFAOYSA-N 376.485 4.509 0 50 GJAA COc1ccc2c(N[C@H](C)c3ccc4nc(C5CC5)[nH]c4c3)ncnc2c1F 2325878599 VUALYFXHVYZNCV-LLVKDONJSA-N 377.423 4.704 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1 705169 ZRXUIRVZIKERPX-VUUXHMSQSA-N 379.459 4.566 0 50 GJAA biogenic COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 1116582 CHRDRFXJLCSXOX-UHFFFAOYSA-N 389.860 4.942 0 50 GJAA Cc1cccc(C)c1NC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1120985 SRMHDUJTZADGKX-UHFFFAOYSA-N 397.858 4.569 0 50 GJAA CC(C)(C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 2274322 VAGKEGGTJRARII-UHFFFAOYSA-N 396.800 4.597 0 50 GJAA Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCC3 2363506 CKFGLQPMRBFSES-UHFFFAOYSA-N 389.480 4.557 0 50 GJAA COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(F)cc1 4998080 FXFDGIDAGANIBV-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA O=C(N[C@H]1CCCc2ccccc21)c1cc(COc2ccc3ncccc3c2)on1 12436259 WCDQSSHBRHAGEY-QFIPXVFZSA-N 399.450 4.609 0 50 GJAA Cc1ccc(-c2nc(COc3ccccc3C(=O)N3CCCC3)c(C)o2)s1 67714794 UIXGJQNGGWEQPF-UHFFFAOYSA-N 382.485 4.835 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC(Cn2ccnc2C)CC1 72480206 MTAQFQUUISRAPM-UHFFFAOYSA-N 384.911 4.721 0 50 GJAA O=C(c1csc([C@H]2CCCO2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1 162872371 RPNLJEXMCQJELE-MRXNPFEDSA-N 396.434 4.818 0 50 GJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 239439115 ZLQKVQPQSXSLMN-RDPSFJRHSA-N 384.435 4.966 0 50 GJAA Cc1ccc2cc(CO)c(-c3ccccc3C(=O)N(C(C)C)C(C)C)nc2c1 426566890 LWXXOWWNUCUUMU-UHFFFAOYSA-N 376.500 4.962 0 50 GJAA CSc1cccc(NC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c1 824944208 KGQCILFQDISERV-IBGZPJMESA-N 386.517 4.500 0 50 GJAA COc1ccc(NC(=O)c2cccnc2-c2ccc([C@@H](C)OC)cc2)c(OC)c1 1506413657 KNXWBFAZVLYBFJ-OAHLLOKOSA-N 392.455 4.726 0 50 GJAA NC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 759470 IIQGXLWYYRBGOS-UHFFFAOYSA-N 390.917 4.846 0 50 GJAA CC(C)(C)[C@H]1CCc2c(sc3ncn(CCOc4ccccc4)c(=O)c23)C1 935974 DOINIWOWIZYNEP-HNNXBMFYSA-N 382.529 4.688 0 50 GJAA O=C(COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 991308 XXIXKSJCYOMGHY-UHFFFAOYSA-N 393.826 4.632 0 50 GJAA COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1 1142951 NIKFSQLFXPULQA-UHFFFAOYSA-N 386.329 4.673 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)nc2ccccc12 1160268 AKJFVHICZBZFAZ-UHFFFAOYSA-N 382.419 4.925 0 50 GJAA aggregator COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)COc1cccc(C)c1 2764340 BNEQDDMKDCZBFC-UHFFFAOYSA-N 395.480 4.836 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccccc1-2 5309549 XTVPBPWZYGPSCV-SFHVURJKSA-N 380.473 4.640 0 50 GJAA c1ccc2c(c1)CC[C@@H](N1CCC(n3c(C4CCC4)nc4cccnc43)CC1)C2 11913436 UBNCICROPNNJQJ-JOCHJYFZSA-N 386.543 4.893 0 50 GJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1C 11933515 QQOCDHUQMCACCP-GOSISDBHSA-N 385.529 4.671 0 50 GJAA CSc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 13737237 VGLAYNOIEXLFJF-UHFFFAOYSA-N 375.925 4.724 0 50 GJAA O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 14922392 ALQWNGCYQQTPAT-UCDDGIFISA-N 393.486 4.925 0 50 GJAA biogenic Cn1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2c(F)cccc2Cl)cn1 14960655 SHUIXIYOSNOBCN-JOCHJYFZSA-N 394.881 4.842 0 50 GJAA CC1CCN([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 28291561 IIRUIMGNTAVNDQ-LIPMQLJGSA-N 386.605 4.854 0 50 GJAA CCOP(=O)(OCC)Oc1cccc(OP(=O)(OCC)OCC)c1 34410083 YCCJHQAMLYCWDV-UHFFFAOYSA-N 382.286 4.806 0 50 GJAA Cc1ccc(-c2nn(CC(=O)Nc3ccnn3C3CCCCC3)cc2C)cc1 48101708 BCNGBKYXRXWCTR-UHFFFAOYSA-N 377.492 4.507 0 50 GJAA CN(C(=O)c1cccs1)c1ccccc1-c1nc(CCc2ccccc2)n[nH]1 65372495 PMEXSJSRUXZLHD-UHFFFAOYSA-N 388.496 4.595 0 50 GJAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 78037598 HHVOOJDLCVOLKI-VWLOTQADSA-N 398.506 4.954 0 50 GJAA CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)C[C@H]1CC2 100484234 CYJGIDCBUJBZAX-NHCUHLMSSA-N 380.919 4.775 0 50 GJAA O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 100641381 WHUDPPDRXAQMEK-PZBISTMVSA-N 396.870 4.611 0 50 GJAA CN(Cc1cc(Cl)cc2c1OCOC2)[C@@]1(c2ccccc2)CCCCC1=O 170607267 FHDDTPPVTSUDJU-JOCHJYFZSA-N 385.891 4.677 0 50 GJAA CCCC[Sn](CCCC)(CCCC)COCCCO 206552653 QFKREWSCUGEUCK-UHFFFAOYSA-N 379.173 4.774 0 50 GJAA COc1ccc(C2=NN3[C@H](C(C)C)Oc4ccc(Cl)cc4[C@H]3C2)cc1OC 248188297 ISHNYCZNSRAUQS-UTKZUKDTSA-N 386.879 4.883 0 50 GJAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 426593669 JPXFVCIXPCGXBA-QFIPXVFZSA-N 380.532 4.841 0 50 GJAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O 1875265785 CBGDCLQOJQYHAP-RLLQIKCJSA-N 392.524 4.729 0 50 GJAA CCOc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1Br 1875325430 XPMGYJMNAURSNI-UHFFFAOYSA-N 398.322 4.772 0 50 GJAA O=C(NCCC1CCC(c2ccccc2)CC1)N1CCC([C@H]2CCCO2)CC1 1875335387 GHNKMWRVKMXLBW-POOLCLQXSA-N 384.564 4.951 0 50 GJAA O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@H](C1)C2(F)F 2325751567 NMPMNFMALRCNHT-YUMQZZPRSA-N 387.160 4.714 0 50 GJAA N[C@H](CCNC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1)Cc1ccccc1 2325866413 JWFQMMMLCXOULC-NNWRFLSQSA-N 399.966 4.626 0 50 GJAA O=C(Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)c1cccc(Cl)c1 809584 VVWOQHONDALOPZ-UHFFFAOYSA-N 394.814 4.573 0 50 GJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc3cccnc13)C2=O 991780 UMISGPQVASGHBH-UHFFFAOYSA-N 396.402 4.836 0 50 GJAA COc1cccc(C(=O)NCC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)c1 1109406 RWCALBVMIFKSOO-DEOSSOPVSA-N 381.516 4.651 0 50 GJAA CC1(C)C[C@H]([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 1175603 VFBYROKFRKGQQU-MOPGFXCFSA-N 377.484 4.662 0 50 GJAA CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2Br)cc1 2812363 VKXUUDFKSIDEAH-UHFFFAOYSA-N 376.294 4.555 0 50 GJAA O=C(O)c1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 6220741 TXWJTQQVZSMAIR-UHFFFAOYSA-N 384.229 4.657 0 50 GJAA Cc1ccccc1C(=O)N[C@@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19800745 XQZVDHSTMZFEIM-KRWDZBQOSA-N 385.722 4.553 0 50 GJAA CN(C)[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1CCCO 91656388 BQAFNUKJJCJHAQ-GGAORHGYSA-N 386.967 4.532 0 50 GJAA CCOC[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 176552230 JAXDIIUSHZNKJR-AWEZNQCLSA-N 399.491 4.993 0 50 GJAA c1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2cnc(C3CCCCC3)nc2)cc1 253595639 GUOMBKXZHXMADB-QPPBQGQZSA-N 390.575 4.621 0 50 GJAA O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@](C(=O)O)(C2CCC2)C1 1772717203 GDOTXDCHVOTZLR-XMMPIXPASA-N 391.467 4.512 0 50 GJAA Cn1nc(-c2ccccc2)nc1COC(=O)Cc1cc2c(ccc3ccccc32)o1 2325852618 MQRFAQTYJATAHW-UHFFFAOYSA-N 397.434 4.667 0 50 GJAA Cc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)c1 727173 SPNJWITWCUQUAE-UHFFFAOYSA-N 391.496 4.835 0 50 GJAA O=C1C[C@H](c2ccccc2I)c2ccc3ccccc3c2N1 727821 RHMLSWBIYDCWOH-MRXNPFEDSA-N 399.231 4.919 0 50 GJAA Cc1cc(I)ccc1NC(=O)/C=C/c1ccccc1Cl 940156 SZXNUSHYZZMNCJ-RMKNXTFCSA-N 397.643 4.905 0 50 GJAA CC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12 955564 DJTGHZOFECCPTD-UHFFFAOYSA-N 379.304 4.802 0 50 GJAA O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 1205191 ZMBWJEZCPUQDRN-UHFFFAOYSA-N 397.843 4.868 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F 1413840 XWZALHBFOSHXIO-UHFFFAOYSA-N 391.427 4.761 0 50 GJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4903071 KXPUTNUJNQJNNC-QWRGUYRKSA-N 399.299 4.946 0 50 GJAA Cc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4csc(C)n4)csc3n2)cc1 11663383 XZBZPOYYSZRNTB-LBPRGKRZSA-N 382.514 4.627 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccsc2)CC1 12072485 SHVYXGVOGUERKP-UHFFFAOYSA-N 385.529 4.557 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc(SC)c3)C2)cc1OC 14962126 KJGHXEBKQLDFLQ-GOSISDBHSA-N 385.529 4.521 0 50 GJAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCc1cccnc1 15074123 GJSIVGAYCCRYSZ-UHFFFAOYSA-N 390.437 4.811 0 50 GJAA CCCOc1cccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)c1 17077032 JBMMSFDAXGTRTD-UHFFFAOYSA-N 376.485 4.775 0 50 GJAA c1ccc(OCCN(CCOc2ccccc2)CCOc2ccccc2)cc1 19865757 UXRIKOVSVCYPGQ-UHFFFAOYSA-N 377.484 4.525 0 50 GJAA COc1cc(CNc2ncccc2O[C@H](C)c2ccccc2)cc(OC)c1OC 170596934 DZHGNVCTQCLJLC-MRXNPFEDSA-N 394.471 4.860 0 50 GJAA C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@H]1CCCC[C@@H]1C 225385258 PETRTMUPNFJLGM-DZKIICNBSA-N 375.563 4.522 0 50 GJAA Cc1c(C(C)C)c(=O)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 225825041 WOQKLMGAJQEQDQ-HNNXBMFYSA-N 396.918 4.964 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)cn1 226440971 OYOBEWYVPOOXAW-ALRGKEJSSA-N 378.516 4.519 0 50 GJAA Fc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 263615227 BGORNZCVLLWAOB-GOSISDBHSA-N 396.809 4.664 0 50 GJAA CC[C@H]1C[C@@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 328595388 TVLYCKCDXQFCLX-ZFWWWQNUSA-N 380.326 4.669 0 50 GJAA Cc1nc(-c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3c3ccccc3)cc2)n[nH]1 469016823 SPROZXXKXMPETM-HSZRJFAPSA-N 394.478 4.720 0 50 GJAA C[C@@H](NC(=O)c1ccnnc1)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 825533942 HATNPMXIAOGNNX-IMOWGURISA-N 395.934 4.787 0 50 GJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC[C@@H](OCc2cccnc2)C1 826621361 MYPJJASEPVUGOA-HSZRJFAPSA-N 390.458 4.709 0 50 GJAA CC[C@H](C)Oc1ccc(-c2noc([C@H]3CCC(=O)N(c4ccccc4)C3)n2)cc1 2332239325 HIIGJLUWOTUBLQ-WMZOPIPTSA-N 391.471 4.825 0 50 GJAA Brc1cccc(-c2nnc(-c3cccc(Br)c3)o2)c1 1569759 OLBIUUBQSQBMDC-UHFFFAOYSA-N 380.039 4.929 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 2985856 SBVYGKXFTKROLM-UHFFFAOYSA-N 392.908 4.654 0 50 GJAA Cc1cc(C)c(C2=NN(c3ccccc3F)[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 4625711 RPQKBTARLIRQDD-FQEVSTJZSA-N 379.410 4.626 0 50 GJAA O=C(CSCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccccc1 4851292 CPDYAUSELXPWCJ-UHFFFAOYSA-N 390.464 4.896 0 50 GJAA Cc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)cc1 6214913 LJTHYFVJPWMUJX-NRFANRHFSA-N 389.441 4.664 0 50 GJAA CCN(CC)c1ccc2cc(C(=O)N[C@H](C)c3ccc(C)cc3)c(=N)oc2c1 6517587 PLTAVOJKAYYWLR-MRXNPFEDSA-N 377.488 4.558 0 50 GJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c(C)n1 20604240 RSCSUSXLAUTARX-UHFFFAOYSA-N 385.393 4.997 0 50 GJAA COc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 35476510 QWPXDYYZIOBZJS-QGZVFWFLSA-N 390.867 4.735 0 50 GJAA CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)Oc1ccccc1F 44606711 BTYYXSHZANWPEB-MSOLQXFVSA-N 381.488 4.554 0 50 GJAA in-vitro CC(C)c1nnc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)o1 67674235 VGIHLCABBQSOCB-UHFFFAOYSA-N 399.878 4.614 0 50 GJAA O=C1CCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CN1Cc1ccccc1 91781874 ZEQDGMWJWJLPOO-QPJJXVBHSA-N 392.518 4.744 0 50 GJAA Cc1ccc(-c2nnc([C@H](C)Nc3cccc(N4CCOC4=O)c3C)o2)cc1C 123575772 ZHORUSMIAIDMNW-INIZCTEOSA-N 392.459 4.792 0 50 GJAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 168092383 XCDXKNDGAJAXEA-CAMMJAKZSA-N 387.401 4.888 0 50 GJAA FC(F)(F)c1cnc(OCn2cc(-c3ccc(Cl)cc3)nn2)c(Cl)c1 261495036 SOSGSKUSHZPWIM-UHFFFAOYSA-N 389.164 4.702 0 50 GJAA CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2nc(C3CCCCC3)co2)o1 369978063 USTLEYYAYVCELV-QGZVFWFLSA-N 386.496 4.525 0 50 GJAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)c1conc1-c1ccccc1 952965309 RFDQXUKZLSNHOQ-IBGZPJMESA-N 378.428 4.542 0 50 GJAA Cc1c(C(=O)N[C@@H](C)c2ccccc2N2CCOCC2)sc2ccccc12 1875260264 DKQVOUCWLLGOQJ-INIZCTEOSA-N 380.513 4.537 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 1172173 JITZBSPUZUCNHO-UHFFFAOYSA-N 383.300 4.907 0 50 GJAA Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O 1391183 MDBWOWOHPPDZJM-UHFFFAOYSA-N 381.863 4.811 0 50 GJAA COc1cccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 2337183 DXWLFSZHUJUCOV-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA Cc1ccccc1-n1c(-c2ccccc2)nc2c(cnn2-c2ccccc2)c1=O 2970277 BUSHPLPJLFMRIS-UHFFFAOYSA-N 378.435 4.547 0 50 GJAA CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 3204546 SSMJXCGMOMMLTE-SNVBAGLBSA-N 386.300 4.623 0 50 GJAA Cc1ccc(S(=O)(=O)N=[S@](C)c2ccc(OCc3ccccc3)cc2)cc1 4321875 IMUPOWQOXOCVBN-SANMLTNESA-N 399.537 4.754 0 50 GJAA biogenic,in-vitro Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2)N(Cc2ccco2)C3=O)cc1C 4809733 PCKBZFHPYBOGQL-QHCPKHFHSA-N 399.450 4.738 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N(C)CCc4ccccc4)csc3n2)c1 12191806 PLYQRZBPVYSBSU-UHFFFAOYSA-N 389.524 4.994 0 50 GJAA Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc(N2CCOC2=O)c1C 170652845 BKHMBJTVLMIPSC-UHFFFAOYSA-N 396.878 4.711 0 50 GJAA CCCC[Sn](CCCC)(CCCC)CO[C@H](C)CN 230833168 MALMPZOIHFDDCK-KWRROICRSA-N 378.189 4.739 0 50 GJAA CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 239433411 XQIAPTDDLNFKGY-RZTYQLBFSA-N 389.495 5.312 0 50 GJAA COc1ccc([C@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)cc1 241401121 NBIBXNDEQIQEAH-LJQANCHMSA-N 377.469 4.836 0 50 GJAA CC(C)c1oc([C@@H]2CCCN2C(=O)NCc2cccnc2)nc1-c1ccccc1 266968485 ZBYHTBUVBPVOTC-IBGZPJMESA-N 390.487 4.907 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C 463544291 RCAARGAPNCNLMK-JKSUJKDBSA-N 376.884 4.625 0 50 GJAA CC(C)(C)c1nnc(SCc2ccc(Oc3ccccc3F)c(F)c2)n1N 735980483 WNGQUFGWNDLMHF-UHFFFAOYSA-N 390.459 4.652 0 50 GJAA OC1(c2ccccc2C(F)(F)F)CCN(Cc2cc3ccccc3o2)CC1 769833059 LSXAOMOIMYHNLN-UHFFFAOYSA-N 375.390 4.935 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cn1 1875248863 UAROOPKNRGMVDY-UHFFFAOYSA-N 386.810 4.856 0 50 GJAA CCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC 800334 BLQPXIARKNRUJJ-UHFFFAOYSA-N 384.432 4.608 0 50 GJAA COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 1064141 JLUXVWNZUSXHPB-QFIPXVFZSA-N 386.451 4.861 0 50 GJAA CCCCOc1ccccc1/C=C1/N=C(c2cc(Cl)ccc2OC)OC1=O 2173385 HXWMEAGBLDHVKC-SFQUDFHCSA-N 385.847 4.872 0 50 GJAA O=C(COc1ccccc1)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 2850541 ZQVBTDPWQYFWNS-UHFFFAOYSA-N 394.858 4.539 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)NC(C)C 2878185 SUQWNCKYUHXIMS-UHFFFAOYSA-N 397.862 4.694 0 50 GJAA Cc1ccc(S(=O)(=O)N=S(Cc2ccccc2)Cc2ccccc2)cc1 4127753 YDRMOPAGTSDCFH-UHFFFAOYSA-N 383.538 4.886 0 50 GJAA COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1cccc2ccccc12 5092807 SCGLGXDJFXVEAD-NDENLUEZSA-N 390.464 4.566 0 50 GJAA COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 5446365 YQROHCIWYBCIQX-UHFFFAOYSA-N 387.439 4.564 0 50 GJAA C[C@@H](CNC(=O)Nc1cccc2ccccc12)Cn1ccc(C(F)(F)F)n1 20606799 QEBMVFLCTIGDLF-ZDUSSCGKSA-N 376.382 4.513 0 50 GJAA Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)no2)cc1C 32622959 YVJYOVKMGLLYAP-HXUWFJFHSA-N 393.487 4.508 0 50 GJAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cc1 36620744 OKUYMKNQBIRTIJ-QGZVFWFLSA-N 375.266 4.827 0 50 GJAA CSCC[C@@H](CO)n1cnc(-c2ccccc2)c1COCc1ccccc1 65370036 FTJYYNSRRKMENG-FQEVSTJZSA-N 382.529 4.553 0 50 GJAA Cc1ccc(NC(=O)N(C)CCC[C@H]2CCCO2)cc1NC(=O)C1CCCC1 97797451 YDMOJWNKCZRTRF-IBGZPJMESA-N 387.524 4.547 0 50 GJAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc4ccccc4c3)cc1)[C@H]1C=C[C@H]2C1 100651888 ZJPUBPDRVNYLRK-PTRHGPIFSA-N 381.431 4.944 0 50 GJAA Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 263618983 WJIHBRXEQGIERE-QGZVFWFLSA-N 396.809 4.664 0 50 GJAA c1ccc2c(N3CCN(Cc4ccc([C@@H]5CCCO5)s4)CC3)nsc2c1 820420211 QEGJFOXIINWOFJ-KRWDZBQOSA-N 385.558 4.532 0 50 GJAA NC(=O)c1ccc(CNCC2(c3ccc(Cl)cc3Cl)CCCC2)cc1 1461418165 QOMNMPGMROIKMS-UHFFFAOYSA-N 377.315 4.694 0 50 GJAA CO[C@H](C(=O)N[C@H]1CC2(CCC2)Oc2ccc(F)cc21)c1ccccc1Cl 2325827690 NJQYNPUZGGITNO-HKUYNNGSSA-N 389.854 4.729 0 50 GJAA O=C(NCC1CCCCC1)c1cccc(SCc2cn3ccccc3n2)c1 2325895272 QEZJZYJXHIQUNM-UHFFFAOYSA-N 379.529 4.937 0 50 GJAA CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 648435 XVCPDFYGLBNUAP-UHFFFAOYSA-N 382.243 4.576 0 50 GJAA CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 664075 KGEZJPRHXHTVCG-UHFFFAOYSA-N 388.334 4.944 0 50 GJAA Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 939615 NWPIOZVKXIOTCR-UHFFFAOYSA-N 394.780 4.758 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 1092486 MRCIOTLSCARHFQ-AYIBLLACSA-N 393.486 4.956 0 50 GJAA biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1sc2cc(F)ccc2c1Cl 1112905 BLPALNWNGGHOPD-UHFFFAOYSA-N 390.867 4.783 0 50 GJAA CC[C@H](C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 1127758 UKQUTOIQDBEOMG-INIZCTEOSA-N 387.892 4.903 0 50 GJAA COCc1cc(C)nc2sc(-c3cc(-c4ccc(OC)cc4)no3)c(N)c12 6659364 YFOLUBHDCRKINL-UHFFFAOYSA-N 381.457 4.664 0 50 GJAA CCCCNC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 11912437 KJYXIEMZDFZRTQ-LJQANCHMSA-N 379.548 4.536 0 50 GJAA Cc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3cccc(C)c3)n2)cc1 13636833 GGKDRNDVXYRWJG-UHFFFAOYSA-N 385.515 4.554 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 39942670 XNTYYYINMGRBQW-LYVLWLHRSA-N 388.548 4.894 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2Cc2nc(C)cs2)ccc1O 65503551 VKDKLCUIHNSBLC-UHFFFAOYSA-N 377.469 4.745 0 50 GJAA Cc1nnc(-c2ccccc2-c2cc(NCc3cccnc3)nc3[nH]ccc23)o1 72429570 DPXIJYMYWBIIAQ-UHFFFAOYSA-N 382.427 4.595 0 50 GJAA C[C@@H]1O[C@H](C)Cc2c1sc(NC(=O)c1ccco1)c2C(=O)OC(C)(C)C 170607587 GJBPQJYMMVVBQJ-MNOVXSKESA-N 377.462 4.571 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1OC 238900019 HSSWVMXIGFZDAO-JTSKRJEESA-N 392.480 5.008 0 50 GJAA C[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(-c2ccncc2)cc1 473080444 XPJIFWXBJMEPPR-KRWDZBQOSA-N 383.455 4.817 0 50 GJAA COc1cc(Cl)c(S(=O)(=O)Oc2cccc3ccccc23)cc1Cl 1775970943 AHXPSGLLQNIZIW-UHFFFAOYSA-N 383.252 4.923 0 50 GJAA Cc1nc(N[C@@H]2CCOC3(CCCCC3)C2)c2cnn(-c3cccc(F)c3)c2n1 1875310924 HAUJFXQRYNYWOH-QGZVFWFLSA-N 395.482 4.557 0 50 GJAA C[C@H](C(=O)Nc1ccc(OCCn2ccnc2)cc1)c1ccc2ccccc2c1 2325748680 ISANJLBNNXOQNU-SFHVURJKSA-N 385.467 4.858 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 634065 HZXLBMFNLOLTMB-UHFFFAOYSA-N 384.431 4.954 0 50 GJAA COc1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 713710 YRBPKNYNJTYWFG-UHFFFAOYSA-N 380.425 4.677 0 50 GJAA COc1ccc2[nH]cc(CCNC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c2c1 753786 JQVDELOYNFKZRT-QGZVFWFLSA-N 378.516 4.837 0 50 GJAA CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(O)c1 951943 JDDAAQGYLSENRZ-UHFFFAOYSA-N 387.233 4.623 0 50 GJAA CCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 1068076 CGOOLVXUCMDUMC-NSHDSACASA-N 386.300 4.532 0 50 GJAA COc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCCC2)c(OC)c1 1126899 DRTGUFLSYCLRSH-UHFFFAOYSA-N 399.487 4.562 0 50 GJAA CCCc1ccc(OCc2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 1261115 DNALJFXBZKZYDE-UHFFFAOYSA-N 398.488 4.722 0 50 GJAA Fc1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 4980525 UHJSRURSDCLQGM-UHFFFAOYSA-N 376.475 4.727 0 50 GJAA Cc1ccc2nc(OCc3ccccc3C)c(CNCC3(C)COC3)cc2c1 12246782 VMZDDUPUTAKXIN-UHFFFAOYSA-N 376.500 4.557 0 50 GJAA Cc1ccc(CN2CCc3c(cc(-c4csc5ccccc45)c(=O)n3C)C2)o1 14753617 JMXBAUAZZMEBAC-UHFFFAOYSA-N 390.508 4.727 0 50 GJAA Cc1ccc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)s1 15067971 KJXGGYSDKSPOIX-GOSISDBHSA-N 398.601 4.857 0 50 GJAA CCOC(=O)c1c(NC(=S)N2C[C@@H](C)C[C@@H](C)C2)sc2c1CCCCC2 17750956 DJJDELITCURDFD-OKILXGFUSA-N 394.606 4.868 0 50 GJAA CCN(Cc1cccc(OC)c1)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82100215 MUSVANGSCTXFKM-UHFFFAOYSA-N 385.467 4.672 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Br)c(F)c1 121412608 XZKCFFFFCFXBOG-UHFFFAOYSA-N 388.240 4.643 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(C(F)(F)F)c1 122035968 YBEGLUXNAJOCFV-UHFFFAOYSA-N 387.361 4.707 0 50 GJAA C[C@H](C(=O)N1CCn2cccc2[C@H]1c1ccccc1)n1ccnc1-c1ccccc1 134196853 JBDVSPOSGPUKOI-AUSIDOKSSA-N 396.494 4.544 0 50 GJAA Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 134905128 SPFADBWUFKYFTN-CYBMUJFWSA-N 394.418 4.714 0 50 GJAA COCCN(Cc1c(C)nn(C)c1C)Cc1cccc2c1oc1ccccc12 824405484 RGAPNPUJFKDEJK-UHFFFAOYSA-N 377.488 4.585 0 50 GJAA O=C(c1cncs1)N1CCC[C@@H]1c1ncc(-c2ccccc2C(F)(F)F)[nH]1 888096686 IJLVNZCIVBTRKX-CQSZACIVSA-N 392.406 4.529 0 50 GJAA CCn1cc([C@@H]2OCC[C@H]2CN2CCc3c(Cl)cc(Cl)cc3[C@H]2C)cn1 1875333986 SPBUGNYQVHZRRK-LAPQFRIASA-N 394.346 4.907 0 50 GJAA C[C@H]1CN(C2CC2)CCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 2100537063 HIBFVEBKNQHKLB-INIZCTEOSA-N 388.914 4.727 0 50 GJAA Cc1c(NC(=O)c2sc3ccccc3c2Cl)c(=O)n(-c2ccccc2)n1C 625175 SINZCSXGLBEZBG-UHFFFAOYSA-N 397.887 4.605 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 682227 IEUOESPKOIJXAA-UHFFFAOYSA-N 395.842 4.841 0 50 GJAA O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 824910 LDIXXNUTMYZROJ-GFCCVEGCSA-N 384.115 4.940 0 50 GJAA Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c(C)c1 1121375 YEBJXSSXSBFPQY-UHFFFAOYSA-N 390.277 4.528 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(N)c12 2873111 KIMTZULVZAGRQT-UHFFFAOYSA-N 396.299 4.892 0 50 GJAA COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1F 4935198 XVGNMNFGHIDKOU-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 11813025 TVBDSSQNKIUKHR-GOSISDBHSA-N 383.875 4.586 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCOc3c(O)cc(-c4ccccn4)cc3C2)o1 12048255 UMPFJHLGVMDGDA-INIZCTEOSA-N 378.472 4.744 0 50 GJAA Cc1cc(C)c2c(CN3CCN(c4cc(Cl)ccc4C)CC3)cc(=O)oc2c1 12462367 HEWAZVWULPENQI-UHFFFAOYSA-N 396.918 4.694 0 50 GJAA biogenic,in-vitro O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C/C=C/c2ccco2)s1 19607377 BDTLSZCVDVIXKY-ZNNBYXKUSA-N 379.485 4.839 0 50 GJAA Cc1nc2ccc(C(=O)N(Cc3ccccc3)Cc3nccs3)cc2nc1C 95387104 VPPBFILFSNSBRV-UHFFFAOYSA-N 388.496 4.546 0 50 GJAA Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)n1 101480551 WOWFPNRGXLWOHZ-DHSIGJKJSA-N 387.936 4.502 0 50 GJAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2ccccc21 114537884 NUOJTTAZVSDNDX-JOCHJYFZSA-N 399.446 4.620 0 50 GJAA C[C@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1nccs1 754737208 KILFHAVMFPMNTR-CYBMUJFWSA-N 379.510 4.953 0 50 GJAA CO[C@H]1Cc2ccc(NC(=O)CCCOc3cccc4ccccc34)cc2C1 784234116 AVMVIOCJBDMSNN-NRFANRHFSA-N 375.468 4.751 0 50 GJAA Cc1sc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)cc1-c1ccc(F)cc1 1875338941 QSXYRXZYFUMCEP-GOEBONIOSA-N 375.465 4.626 0 50 GJAA COc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 671272 VYKWOVJNUGDHKB-UHFFFAOYSA-N 386.245 4.628 0 50 GJAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 681077 GJQPZHIZHLWUEJ-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 815253 PAKCJBSSORQCBF-OAHLLOKOSA-N 384.430 4.739 0 50 GJAA CCNc1ccccc1C(=O)O[C@H](C(=O)c1ccc(OC)cc1)c1ccccc1 993147 DAIPNISQRXNLOI-QHCPKHFHSA-N 389.451 4.908 0 50 GJAA CCOc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1182612 HYSXTRJDRLFMDE-UHFFFAOYSA-N 376.481 4.879 0 50 GJAA CSc1ccccc1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 1444532 MKXADKWNFKWNQP-UHFFFAOYSA-N 380.498 4.520 0 50 GJAA CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 2117685 QSRHXGNCDNBSDJ-UHFFFAOYSA-N 386.517 4.547 0 50 GJAA CCOc1cc(CNCC(C)C)c(Cl)cc1OCC(=O)Nc1ccccc1 2861822 WUDZSJPQQPDYJF-UHFFFAOYSA-N 390.911 4.502 0 50 GJAA Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C(=O)O2)cc1 2979318 PDUBMALWZXWPFG-RCCKNPSSSA-N 397.430 4.867 0 50 GJAA O=C(N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12 19315359 ODJOUOYZSGNMLC-QGZVFWFLSA-N 397.689 4.649 0 50 GJAA CCC(CC)n1ncc(C)c1NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 55413665 WHKYELOCNGNTFM-UHFFFAOYSA-N 379.464 4.732 0 50 GJAA Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(C(C)(C)C)nc3)nc12 63857250 RPSDWXVQGYFXDX-UHFFFAOYSA-N 376.504 4.778 0 50 GJAA O=C1[C@H]2[C@H]3C(=Cc4ccccc4)[C@@H](C4=C3[C@H]3CC[C@H]4C3)[C@H]2C(=O)N1c1ccccc1 101081002 YKBNKOXFMDINAJ-HEQGYRPESA-N 393.486 4.862 0 50 GJAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@H]21 101709788 ONPLRFHNPZGXQL-JOCBIADPSA-N 378.497 4.600 0 50 GJAA Cc1nc(C(=O)Nc2nnc(CC(C)C)s2)c(-c2ccc(F)cc2)s1 888103919 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1171713 UTUUKCHLTGVAEN-HKWRFOASSA-N 385.419 4.619 0 50 GJAA CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 1214461 MOSLYWDPYMZWHO-UHFFFAOYSA-N 396.468 4.733 0 50 GJAA Cc1cccc(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2COC3=O)c1 1427887 GSVSHKQSVHYBDD-OAHLLOKOSA-N 388.250 4.633 0 50 GJAA CCc1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@H](C)COC 1834842 USQDUVGJRDGLIA-MRXNPFEDSA-N 397.544 4.594 0 50 GJAA C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2463931 ONRXQJYDOVSGII-QWRGUYRKSA-N 385.357 4.818 0 50 GJAA O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 2877811 QYASBJTUNXZLEF-UHFFFAOYSA-N 387.888 4.861 0 50 GJAA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 4532897 UKIIXHVIHAJCMP-HUKRRQNXSA-N 388.548 4.735 0 50 GJAA CN(CCc1cn[nH]c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12315206 YWDWXDLPGWJZOQ-UHFFFAOYSA-N 377.536 4.532 0 50 GJAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)ccc1F)CCO2 14992252 KGOIZHGTVNKISJ-HSZRJFAPSA-N 395.449 4.636 0 50 GJAA O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1F 16623469 VFAYABUOXMVRTI-UHFFFAOYSA-N 375.875 4.513 0 50 GJAA CC/C=C/CC(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2cccc(O)c2)s1 20455367 IVUWMVGPKYDVIE-IDOMTICXSA-N 384.501 4.726 0 50 GJAA COC(=O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccccc1 20602609 COBOYDJNWAAZHP-UHFFFAOYSA-N 375.453 4.813 0 50 GJAA C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)[C@@H](O)CCC1OCCCO1 71786195 OMMSCPDCVWIERB-SIXWZSSISA-N 384.607 4.593 0 50 GJAA Cc1ccc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)c(F)c1F 91872094 ZLTFGXWGBAQSIP-UHFFFAOYSA-N 398.497 4.678 0 50 GJAA CCSCCC(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 239760985 CJAWABOAXZHFMF-QAPCUYQASA-N 389.483 4.775 0 50 GJAA CC1(C)C[C@H](NC(=O)c2ccc(-c3ccncc3)cc2)c2ccc(F)cc2O1 2325839884 HXAXUZZJPKDIOO-FQEVSTJZSA-N 376.431 4.920 0 50 GJAA O=C(Cc1ccc(Cl)cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 623813 MSHZOSMNUDFJOA-UHFFFAOYSA-N 397.265 4.909 0 50 GJAA COc1ccc(OC(=O)COc2ccc3ccccc3c2Br)cc1 676633 WUPWQNFZEHXUOD-UHFFFAOYSA-N 387.229 4.595 0 50 GJAA CC(C)[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1132019 CJJDWNKWOFYTNW-JOCHJYFZSA-N 398.462 4.613 0 50 GJAA CCCCOC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 1771910 BKCFGLXGVGGZFT-UHFFFAOYSA-N 376.250 4.658 0 50 GJAA O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2oc1=O 2879581 SMXYJLDAXYUXPW-UHFFFAOYSA-N 393.402 4.656 0 50 GJAA Cn1c2ccccc2n2c([C@@H](O)C(Cl)(Cl)Cl)c(-c3ccccc3)nc12 3876981 SCLGLQBKSIDLQE-MRXNPFEDSA-N 394.689 4.897 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1OC 4018830 TWCJXMRQOGDUSH-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl 5907650 BUWZYNWNUYYWDY-XLKFXECMSA-N 386.304 4.641 0 50 GJAA COc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc(Cl)c1O 11818134 HCZQCNAUSMEFRW-GFCCVEGCSA-N 389.858 4.538 0 50 GJAA O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 12499053 RMJXPVMXPGERMM-ONEGZZNKSA-N 375.664 4.766 0 50 GJAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c2ccccc12 14974954 CRTSXBMHQFDCCB-AWEZNQCLSA-N 377.444 4.993 0 50 GJAA Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCO3)c1 19794624 RMHXLUZUOQIXEZ-RUZDIDTESA-N 398.462 4.750 0 50 GJAA Cc1cccc(-n2cc(CN(C)CCC(C)(C)O)c(-c3cccc(F)c3)n2)c1 72432377 ZMMSLBWSJXGSFN-UHFFFAOYSA-N 381.495 4.580 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccn(C2CCCC2)n1 126369163 IPYIVWLWRIEFRJ-UHFFFAOYSA-N 384.867 4.545 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CCc1cccnc1 152222881 CRXFKALZGVVZIT-UHFFFAOYSA-N 388.446 4.654 0 50 GJAA CC[C@@H](C)n1ncc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1C1CC1 179438387 XCRAHTFFOXUXPD-CQSZACIVSA-N 377.492 4.598 0 50 GJAA Clc1ccc(-c2ccc(CN3CCN4CCC[C@H]4[C@H]3C3CCCCC3)o2)cc1 239432857 WQNYQIKLPXBRNE-LADGPHEKSA-N 398.978 5.829 0 50 GJAA Fc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 263617732 PJNIYWHJZLVEEV-GOSISDBHSA-N 396.809 4.664 0 50 GJAA Cc1nn(-c2ccccc2)cc1CNc1cccc(-c2ncc3n2CCCC3)c1 444012453 SBDXFHNPBZTDPA-UHFFFAOYSA-N 383.499 4.993 0 50 GJAA Oc1cccc(-c2nc([C@@H]3CC34CCCC4)n(Cc3ccc4ccccc4n3)n2)n1 1875331379 XNMHGBMKSURDLN-SFHVURJKSA-N 397.482 4.690 0 50 GJAA COc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3C)c2)cc1 993064 NFBCLXIGRXZRPA-UHFFFAOYSA-N 375.424 4.518 0 50 GJAA Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2cccs2)C3)cc1 1071073 ZOWUVIRVCJQEOV-MRXNPFEDSA-N 379.481 4.963 0 50 GJAA COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 1079305 UPLHYGLCXSMEBY-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)S2)cc1C 1107337 TYIVQHFVLBCSQK-IBGZPJMESA-N 395.528 4.866 0 50 GJAA CC(=O)Nc1cccc(NC(=S)Nc2ccc(Br)cc2Cl)c1 1121166 YKXPXNZBKMTTNT-UHFFFAOYSA-N 398.713 4.870 0 50 GJAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 1208799 CMNINMPGBXEBRN-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1cccnc1Cl 2761335 LOKWCGPBSSZFNQ-UHFFFAOYSA-N 386.860 4.811 0 50 GJAA O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 4713304 YNIBZSNKNOYVGX-LLVKDONJSA-N 386.662 4.919 0 50 GJAA Cc1cc(Cl)c2oc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c(C)c2c1 11935187 WICAJHHDIPBOEA-UHFFFAOYSA-N 385.895 4.967 0 50 GJAA Cc1oc(-c2ccccc2F)nc1CN1CCC(OCc2ccccc2)CC1 12442666 UORYPRVVZQOMMN-UHFFFAOYSA-N 380.463 4.970 0 50 GJAA Cc1nc[nH]c1CN1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67642653 POEKECHHHPTPOE-UHFFFAOYSA-N 391.496 4.700 0 50 GJAA CCc1oncc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71764665 QPSVXVZSNQRXKV-CQSZACIVSA-N 380.410 4.741 0 50 GJAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc(-c2ccccc2Cl)o1 91987295 CUDGEFWFMPARSR-UHFFFAOYSA-N 393.830 4.922 0 50 GJAA Cn1c(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)nc2ccccc21 110577387 ARQMRHIGFUMLLF-UHFFFAOYSA-N 380.451 4.903 0 50 GJAA COc1cccc(C)c1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 170614894 IIKSHPCXIHOMNB-UHFFFAOYSA-N 390.468 4.565 0 50 GJAA Cc1c(C(=O)N(CCc2ccccn2)Cc2ccncc2)oc2ccc(F)cc12 328591352 PAUFKVDZMCHPGE-UHFFFAOYSA-N 389.430 4.555 0 50 GJAA O=C(c1ccccc1SCc1cn2ccccc2n1)N1C[C@@H]2CCCC[C@H]2C1 427139908 LJIHRMOAOJFWPL-ROUUACIJSA-N 391.540 4.889 0 50 GJAA CN=c1ccc(-c2cccc(C(=O)N(Cc3ccsc3)CC(C)C)c2)c[nH]1 534660565 JSJGXCUVFVCKOZ-UHFFFAOYSA-N 379.529 4.572 0 50 GJAA Cc1noc2ncc(CNc3ccc(NC(=O)N4CCCCCC4)cc3)cc12 894122915 RNJAOMGHTXYUGK-UHFFFAOYSA-N 379.464 4.551 0 50 GJAA Cc1ccccc1-c1ccc(C(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)cc1 952968481 MWAXZTDKDIFUBQ-LJQANCHMSA-N 390.527 4.525 0 50 GJAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc12 721183 VDLKMBVSFAPMGS-UHFFFAOYSA-N 385.345 4.745 0 50 GJAA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc3ccccc23)NC(=O)N1 799830 HPTUNXJZJQHZRM-FQEVSTJZSA-N 391.858 4.760 0 50 GJAA CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccccc1 892299 UENMACWHWHCCQO-UHFFFAOYSA-N 394.427 4.582 0 50 GJAA Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 1110380 JNTRZKYBQWUSOL-UHFFFAOYSA-N 397.525 4.961 0 50 GJAA COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2972370 BEZZDDWBHSRQNG-UHFFFAOYSA-N 382.243 4.612 0 50 GJAA O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(Br)c1 4804184 WXSSQMYFHQGYDG-UHFFFAOYSA-N 385.217 4.547 0 50 GJAA Cc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)cc1Cl 6527729 TYQAQJVRGOWXEE-UHFFFAOYSA-N 377.937 4.600 0 50 GJAA C[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccccc1-c1ccco1 71765214 KYUQKWFZFRFZBP-HNNXBMFYSA-N 383.411 4.864 0 50 GJAA Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)oc2ccc(Cl)cc12 155518200 ZKKWEQUCNNCPDR-OAHLLOKOSA-N 397.906 4.745 0 50 GJAA CC(C)n1cc(CCCC(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c2ccccc21 170613484 GNZVPDSPCKPLRR-OFNKIYASSA-N 395.591 4.926 0 50 GJAA C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622921 DPRJDEIBJFCCER-GFCCVEGCSA-N 375.350 4.589 0 50 GJAA O=C(Nc1cccc(N[C@@H]2CCS(=O)(=O)c3ccccc32)c1)C1CCCCC1 186380051 CRDAXDHBDLXSQD-HXUWFJFHSA-N 398.528 4.536 0 50 GJAA CSc1ccc(-c2cccc(C(=O)N(C)CCCc3nccn3C)c2)cc1 299764753 KXYPDDAKHZDUTB-UHFFFAOYSA-N 379.529 4.514 0 50 GJAA O=C(NCc1c(F)cccc1Cl)N1CCCC[C@@H]1CCc1ccccn1 426674409 XHQRRZLHPJDTDE-MRXNPFEDSA-N 375.875 4.571 0 50 GJAA Cc1ccnc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)n1 471105589 VNYNENGKLZTEPD-UHFFFAOYSA-N 378.432 4.762 0 50 GJAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 1875256782 RIPYJDFQULTDMT-SECBINFHSA-N 379.769 4.638 0 50 GJAA COc1cccc2c(NCCN3CC(C)(C)Oc4ccccc43)c(C)cnc12 1875342043 VFDJVWYBZZYJKB-UHFFFAOYSA-N 377.488 4.641 0 50 GJAA Cc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)no1 821004 MXFBPXDJGCUTLF-UHFFFAOYSA-N 395.422 4.612 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H](C)C(=O)OC(C)C)cc1 953513 CLOVNDDDUCQJMC-AWEZNQCLSA-N 375.852 4.620 0 50 GJAA O=C(Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1)c1ccccc1 1131747 RONSRWCCLPNVLQ-UHFFFAOYSA-N 395.256 4.954 0 50 GJAA Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1C 1165319 QRFVQAQBVUKFLQ-CYBMUJFWSA-N 377.271 4.602 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1nnn(-c2cc(Cl)ccc2C)c1C 8021894 ZENGZDKWEVOVSS-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA COCCn1ccc(-c2sc(NC/C(Cl)=C/c3ccccc3)nc2C)n1 11814465 ZGXWWJDJPWRWIQ-VBKFSLOCSA-N 388.924 4.653 0 50 GJAA COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(C1CCCCC1)C2 12218604 BCSNLLJHYUBSCM-UHFFFAOYSA-N 397.515 4.907 0 50 GJAA CCS[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67878384 LUFRRVVFYYSKJH-ZDUSSCGKSA-N 391.920 4.575 0 50 GJAA CCCCN(C)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77538471 QRMGLDMSMRRESR-UHFFFAOYSA-N 383.536 4.590 0 50 GJAA O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](C1CCCCC1)Nc1ccccc1-2 170614807 PSLCUHUQSLPFRS-HXUWFJFHSA-N 376.435 4.616 0 50 GJAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 177703064 UJYLMRQLELGCRT-INIZCTEOSA-N 397.866 4.689 0 50 GJAA Cc1ccc(C)c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 220964747 GVTWLPZWOYBIAZ-UHFFFAOYSA-N 398.550 4.893 0 50 GJAA Cc1ccc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)cc1 239439116 ZLQKVQPQSXSLMN-YKSBVNFPSA-N 384.435 4.966 0 50 GJAA COc1cccc(C(=O)Cn2cc(-c3ccc(-c4ccccc4)cc3)n(C)c2=N)c1 334157630 WDHNMWLDDZOBEC-UHFFFAOYSA-N 397.478 4.532 0 50 GJAA CN(Cc1cnccn1)C(=O)c1ccc(-c2ccc(OC(C)(C)C)cc2)cc1 426397673 YTPSPLGUQXVTSJ-UHFFFAOYSA-N 375.472 4.593 0 50 GJAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 426726743 JGFOEKCNHUFAIK-OAHLLOKOSA-N 377.463 4.987 0 50 GJAA Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 442796131 FWUVJXRZTDKDIO-DNVCBOLYSA-N 393.405 4.563 0 50 GJAA Cc1cccc(C(=O)N[C@H](Nc2ccccc2F)C(Cl)(Cl)Cl)c1 824895 DNYZCXBCXDVVSD-HNNXBMFYSA-N 375.658 4.672 0 50 GJAA COc1ccc(OC)c(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 1073985 YWBZAPVFFGVXPV-UHFFFAOYSA-N 391.452 4.628 0 50 GJAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 1158118 CQQQSSJHAFYUDK-UHFFFAOYSA-N 397.327 4.561 0 50 GJAA COc1ccc2oc(=O)c(C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 1437133 FOXHNOXIBYIKLM-UHFFFAOYSA-N 387.391 4.846 0 50 GJAA Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C)cc1 2262597 VIESHXSFIHQWQM-UHFFFAOYSA-N 384.479 4.967 0 50 GJAA O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2ccccc2Cl)o1 2755087 SEFOZLUGDXSNAL-UHFFFAOYSA-N 380.831 4.923 0 50 GJAA Cc1ccc(NC(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)cc1Cl 11838733 CLHQESFBWVVXBA-JOCHJYFZSA-N 386.923 4.806 0 50 GJAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1ccccc1Cl 12577932 OTUDWEBBINQUDE-UHFFFAOYSA-N 388.914 4.506 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)C2CCOCC2)c(C)s1 15076233 LXLKZBZQRSPBFZ-UHFFFAOYSA-N 399.535 4.968 0 50 GJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1 15836495 QZDHENCRGDQQPQ-MSUUIHNZSA-N 379.463 4.869 0 50 GJAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1 67605988 LMECVLYJUBBLSD-IBGZPJMESA-N 390.483 4.962 0 50 GJAA Cc1c(CS(C)(=O)=O)cccc1NCc1ccc(-c2cccc(F)c2C)o1 116925054 UEWDNIBKIAWGSE-UHFFFAOYSA-N 387.476 4.859 0 50 GJAA Cc1ccc(NC(=O)c2csc(-c3ccccc3F)n2)c(Br)n1 128027181 XBWBUWREIVLUJJ-UHFFFAOYSA-N 392.253 4.667 0 50 GJAA Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 169754580 KWHYUEZLLJEMQR-SFHVURJKSA-N 381.863 4.605 0 50 GJAA O=C(c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F)N1CCOCC1 170616149 ZMUQJUNVKJPKHF-UHFFFAOYSA-N 390.458 4.577 0 50 GJAA CCNC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c(C)s1 889397888 UWODNPMBXWHJFU-SJKOYZFVSA-N 389.496 4.560 0 50 GJAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1cc4cc(Cl)ccc4[nH]1)(C3)C2 952967952 DBJFJCPHJWBQBV-MVMQPQNDSA-N 386.923 4.549 0 50 GJAA C[C@H](c1ccc(Cl)cc1)N(C1CC1)S(=O)(=O)c1cccc2ccncc12 1474879433 HGXGNKAMHSPSPW-CQSZACIVSA-N 386.904 4.803 0 50 GJAA O=C(Nc1ncc([C@@H]2CCCCO2)s1)N1CCC[C@H]1c1ccccc1F 2325789980 AKRDBHDROXQPLB-HOTGVXAUSA-N 375.469 4.893 0 50 GJAA NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCc4cc(-c5cccc(F)c5)ccc41)(C3)C2 2325853319 LIYRYVFVQSMLKZ-PHBHNISSSA-N 390.502 4.680 0 50 GJAA CCOc1ccc(NC(=O)CSCc2ccccc2Br)cc1 1194373 MDTVKGJOTJDTMC-UHFFFAOYSA-N 380.307 4.720 0 50 GJAA Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)c1 1213290 OOHRJNCZMNUMDF-UHFFFAOYSA-N 377.425 4.523 0 50 GJAA Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1 2452746 KTHCBEXAJBRABN-UHFFFAOYSA-N 377.256 4.739 0 50 GJAA aggregator Cc1ccc(-c2noc(CSc3nnc(C)n3-c3cccc(C)c3)n2)cc1 2873581 BEQWJUGPYZRSMV-UHFFFAOYSA-N 377.473 4.535 0 50 GJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)c1OC 11933585 BGGNMCIZPOXXLV-HSZRJFAPSA-N 388.467 4.926 0 50 GJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2=O)cc1 11955920 PLOHNZLCLCFBJV-QHCPKHFHSA-N 396.556 4.526 0 50 GJAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12581222 MFPIENBHWTWBOI-FQEVSTJZSA-N 392.499 4.644 0 50 GJAA O=C(O)c1cc(-c2cccc(OC(F)F)c2)nc2onc(-c3ccccc3)c12 20615930 MVYUEAJSPNSHLD-UHFFFAOYSA-N 382.322 4.856 0 50 GJAA Fc1ccc(CN(Cc2ccncc2)Cc2ccccc2Cn2cccn2)cc1 55197488 XBNBHKRHLULNIX-UHFFFAOYSA-N 386.474 4.668 0 50 GJAA Fc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 55510591 VJTZZMJRLADZRZ-QPJJXVBHSA-N 379.504 4.785 0 50 GJAA O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(F)(F)F 64858072 YKIRCSCMMMEEDI-WLMOLUCVSA-N 390.442 4.701 0 50 GJAA in-vitro CC(C)c1nccc(CN2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 67806001 LUDCSWNUCLPVTO-UHFFFAOYSA-N 379.483 4.509 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H](CN)C1 72411987 XXZUAEFGMGQDCC-GOSISDBHSA-N 377.488 4.613 0 50 GJAA Cc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4s3)C2=O)cc1Cl 100112541 QDBRMUZOZZBPNQ-HNNXBMFYSA-N 388.901 4.682 0 50 GJAA Cc1ccc(-c2ccc3c(N)c(C(=O)N4C[C@@H](C)C[C@H](C)C4)sc3n2)cc1 167255952 FFYWQIOZKCMNJI-GJZGRUSLSA-N 379.529 4.972 0 50 GJAA CSCc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 170623460 YDIVEALVFZBXSK-UHFFFAOYSA-N 393.390 4.871 0 50 GJAA CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 192046913 ACWBRMQZAGPMKV-AWEZNQCLSA-N 383.879 4.933 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(=O)c2cccs2)C1 215555028 RBKSONRVZKGBMO-SFHVURJKSA-N 390.508 4.854 0 50 GJAA CCOc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)C2)cc1 252493477 NDDPRAHTHYBIEN-IBGZPJMESA-N 387.277 4.545 0 50 GJAA Cc1nc2ccc(CNCc3cccc(NC(=O)c4ccncc4)c3)cc2s1 494342456 XUFSBPFJFPXWMJ-UHFFFAOYSA-N 388.496 4.542 0 50 GJAA O=C(CCCCCn1cccc1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 886025199 CFEYTIVZSPVBPX-HSZRJFAPSA-N 386.499 4.831 0 50 GJAA Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(-c2ccc3c(c2)CN(C)C3=O)cc1 1875250205 FURYOXIAUABVBR-UHFFFAOYSA-N 397.430 4.727 0 50 GJAA Cc1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1 1875340354 XEPQWAGFLLJHCF-UHFFFAOYSA-N 390.874 4.627 0 50 GJAA C[C@H](NC(=O)c1cc2sc(C(=O)O)cc2[nH]1)c1ccc(Cl)c(Cl)c1 2325877647 WHVAIKXITLFZJO-ZETCQYMHSA-N 383.256 4.725 0 50 GJAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3c(F)cccc3Cl)C2=O)cc1 2356166281 QREXMXGIHYEVBA-JOCHJYFZSA-N 386.898 4.949 0 50 GJAA CCCCN(CCCC)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 4834133 MOEUATCQTSNAIW-OAQYLSRUSA-N 398.547 4.581 0 50 GJAA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1CCCC[C@H]1C(=O)O 4903075 KXPUTNUJNQJNNC-WDEREUQCSA-N 399.299 4.946 0 50 GJAA Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)o1 11938015 SCYLVEJNGJVJHB-UHFFFAOYSA-N 391.471 4.626 0 50 GJAA Cc1ccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3ccc(C)cc3C)n2)c(C)c1 20617297 HREWOCLEQWONHE-GOSISDBHSA-N 390.487 4.569 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cc(C)ccc3C)cc2)n1 64800798 QIWSERZQTAGYLI-UHFFFAOYSA-N 375.476 4.830 0 50 GJAA CCCc1cncnc1N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67460068 NEZVLISCWLFEAI-UHFFFAOYSA-N 375.472 4.509 0 50 GJAA O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@H]1c1nccs1 151619860 RVPRHYKLBBCRBE-AWEZNQCLSA-N 391.345 4.507 0 50 GJAA CC(C)C[Sn](CC(C)C)(c1ccccc1)c1ccccc1 169817539 MQONBDSQZWDBOC-UHFFFAOYSA-N 387.155 4.562 0 50 GJAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc21 172194503 GPGFDVNPRPZXJZ-CYBMUJFWSA-N 390.409 4.655 0 50 GJAA CCOc1ccc2c(c1)CN(C(=O)Nc1ccc3cnn(C(C)C)c3c1)CC2 194800303 SUOUQKIVFALJHC-UHFFFAOYSA-N 378.476 4.606 0 50 GJAA CCN1CC[C@@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@@H](C)C1 229848062 PGEKTUCFYIHRFP-IFXJQAMLSA-N 377.985 4.772 0 50 GJAA COC(=O)[C@]1(Cc2ccccc2)[C@@H]2[C@H]3[C@H]4[C@H]5C(=C6CC[C@@H]7[C@H]6[C@@H]5[C@H]3[C@@H]71)[C@@H]1CC[C@@H]2[C@H]41 257358267 SMXBRNWVWVAOTE-XBXZVCHLSA-N 398.546 4.749 0 50 GJAA CCC[C@@]1(CO)CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 288894767 UCDFTHOAOKMLDD-JOCHJYFZSA-N 383.492 4.507 0 50 GJAA c1ccc2c(N3CCN(Cc4ccc([C@H]5CCCO5)s4)CC3)nsc2c1 820420212 QEGJFOXIINWOFJ-QGZVFWFLSA-N 385.558 4.532 0 50 GJAA CCCCn1ncc(C)c1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 1506417816 LNHRQFKCWZXMCC-UHFFFAOYSA-N 385.471 4.854 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)CCO3)on1)N1CCC[C@H]1c1cc(F)ccc1F 2325818791 ZLYZFRYEAVDJJQ-IBGZPJMESA-N 396.393 4.532 0 50 GJAA CCCCCCOc1cccc(NC(=O)Cn2c(=O)sc3ccccc32)c1 4694242 DHTFHICOXQUTRH-UHFFFAOYSA-N 384.501 4.661 0 50 GJAA COC(=O)/C(NC(=O)c1ccc(C)cc1)=C(\Cl)Sc1ccc(Cl)cc1 5682509 WSUMGFOGDBXUHD-NXVVXOECSA-N 396.295 4.751 0 50 GJAA CSc1ccc2cc(CN(Cc3ccco3)C(=O)C3CC3)c(N(C)C)nc2c1 14961364 AVWIJJSVHLIOOL-UHFFFAOYSA-N 395.528 4.555 0 50 GJAA Cc1ccc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1 21150709 SJCGVJAZVGPGRM-SFHVURJKSA-N 396.441 4.830 0 50 GJAA FC(F)(F)c1cc(NCc2csc(C3CC3)n2)nc(-c2ccncc2)n1 170642881 FIERRCNMJFVXHR-UHFFFAOYSA-N 377.395 4.503 0 50 GJAA CCN(C(=O)NC1CCN(C2CCCC2)CC1)[C@H](C)c1cc2ccccc2o1 176011562 RZPGMPNEIFTNJM-QGZVFWFLSA-N 383.536 4.932 0 50 GJAA Cc1coc(-c2cccc(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)c2)n1 186583985 NHMUNFBJJKUYJZ-OAQYLSRUSA-N 391.471 4.516 0 50 GJAA COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 1110559 SUWGOGPSXPRWLG-UHFFFAOYSA-N 385.423 4.593 0 50 GJAA CCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 1179940 YNLAXTYRAKQMEH-UHFFFAOYSA-N 375.906 4.840 0 50 GJAA COc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1OC 2178118 OFUNTRKJIIPZKL-UHFFFAOYSA-N 377.484 4.615 0 50 GJAA COc1ccccc1OCCOCCOc1c(C)cc(C)cc1Br 2985101 KHGYSAVEHKWRRE-UHFFFAOYSA-N 395.293 4.549 0 50 GJAA Cc1cc(C)cc(C[C@@H](CC(=O)O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5010073 LAUQDWZVZQQKMK-HNNXBMFYSA-N 379.378 4.594 0 50 GJAA O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1Cl 18249381 FMZZJFFGYDFZBG-UHFFFAOYSA-N 379.272 4.509 0 50 GJAA COCc1nc(C)c(Cn2cnc(-c3ccccc3)c2C[C@H](C)SC)s1 65386651 PNOCOIWXVNSVJP-AWEZNQCLSA-N 387.574 4.804 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)cc1 67884651 RJPWDUQJGGEJCB-KRWDZBQOSA-N 378.476 4.516 0 50 GJAA COc1ccc(CN(C)N2C(=O)[C@H](c3ccccc3)c3ccccc32)c(Cl)c1 71767392 WGDTXEHVFHTMDR-JOCHJYFZSA-N 392.886 4.874 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 82086642 AHAUMOAYFHPKPB-ZDUSSCGKSA-N 394.525 4.768 0 50 GJAA COCCC[C@H]1CCCCN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1 91426073 NJZMPXONNZBMMD-HXUWFJFHSA-N 379.500 4.647 0 50 GJAA CC1=NN(c2ccccc2)C(=O)[C@]12[C@H]1C=C[C@@H](C1)C2(C(F)(F)F)C(F)(F)F 100796774 VTHZQAOUAHETLH-SLEUVZQESA-N 388.311 4.712 0 50 GJAA COCc1cc(NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)ncn1 1472864973 BJTJCXHZZCCGDD-UHFFFAOYSA-N 391.805 4.959 0 50 GJAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1 858211 GUEMGRLMGSTJIN-UHFFFAOYSA-N 384.328 4.637 0 50 GJAA CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 1052752 FSYXLPROXCLANX-UHFFFAOYSA-N 376.865 4.568 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(C)c1 1108733 NUUXHKMGGIVUEF-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1205556 GWLGRAOSYOKFLG-UHFFFAOYSA-N 377.831 4.901 0 50 GJAA Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1Cl 2813799 UMJWOWMXDCBSCL-UHFFFAOYSA-N 394.780 4.987 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 2992933 QKWJAWUWFCLEGR-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA COc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1 4565224 DSKZQEOKGJWLNM-UHFFFAOYSA-N 382.272 4.609 0 50 GJAA CCN(C(=O)c1cc2cc(Br)ccc2oc1=O)c1cccc(C)c1 4821321 YKFNHKUNUDEBNL-UHFFFAOYSA-N 386.245 4.531 0 50 GJAA CN(C)c1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 8687578 DQQVRABDZANFQC-UHFFFAOYSA-N 395.462 4.560 0 50 GJAA COc1ccc(CNCC[C@H]2CCC(=O)N2CCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 12329883 ZRFJHOZQBLEODJ-XJUOHMSHSA-N 396.575 4.548 0 50 GJAA CC(=O)c1cccc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)c1 20586418 ZJYTWNRBIXYGQU-INIZCTEOSA-N 380.536 4.607 0 50 GJAA Clc1ccc2nc(Cn3cnc(-c4ccccc4)c3[C@@H]3CCOC3)[nH]c2c1 67909035 JAWMHFSKGWVZSV-OAHLLOKOSA-N 378.863 4.632 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 91425039 BZCFOPBGVDGEOP-UHFFFAOYSA-N 375.472 4.715 0 50 GJAA C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCOCC3)cc21 226075306 SFMZAWQIZZJKOB-GOSISDBHSA-N 394.584 4.987 0 50 GJAA CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@@](C)(C3SCCS3)C[C@@H]12 252427793 GEFRKHXTFACOQE-FIFVOOHXSA-N 398.634 4.718 0 50 GJAA C[C@@H](Cc1ccccn1)NC(=O)c1cc(-c2ccccc2)nc2onc(C3CC3)c12 2325755677 OJCPRCGLVPMUFG-HNNXBMFYSA-N 398.466 4.523 0 50 GJAA Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 633998 VYCJGBJBVBQXLR-HOTGVXAUSA-N 389.684 4.840 0 50 GJAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 1058634 RGLVUJZOFCNJGY-UHFFFAOYSA-N 390.508 4.633 0 50 GJAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCC(C)CC4)c3C)C2)cc1 1070557 IDXBKSICXFKTII-LTCLLZNKSA-N 395.499 4.980 0 50 GJAA NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1113706 XENJPOCZOWFNMK-SOFGYWHQSA-N 395.311 4.685 0 50 GJAA CC(C)c1ccc(O)c(NC(=S)NC(=O)Cc2cccc3ccccc23)c1 1126144 RQELGFQUPLNFGC-UHFFFAOYSA-N 378.497 4.725 0 50 GJAA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1F 1169867 MAJIMLQKRNXWML-UHFFFAOYSA-N 391.427 4.761 0 50 GJAA COc1ccccc1-c1cc(-c2ccc(OC(F)F)cc2)n2[n+]1CCCCC2 5671297 NEYAHBLMPQSVMP-UHFFFAOYSA-N 385.434 4.904 0 50 GJAA CCN(Cc1ccncc1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 11664367 YYDUJDRMBGWODP-UHFFFAOYSA-N 396.903 4.774 0 50 GJAA O=C1NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 13551648 XQTSESLEAASMKJ-CHHVJCJISA-N 380.252 4.896 0 50 GJAA c1ccc2c(CN(CC3CCN(C4CCCC4)CC3)C[C@H]3CCCO3)c[nH]c2c1 14960635 NWLSVGJXIGMMPL-HSZRJFAPSA-N 395.591 4.804 0 50 GJAA CC(=O)c1cccc(NC(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)c1 15077260 SGLMZRKITOFGFI-DEOSSOPVSA-N 394.515 4.519 0 50 GJAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 69377001 GXDRYRBDMQAHDG-MRXNPFEDSA-N 378.476 4.618 0 50 GJAA Cc1nc(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)c(C)o1 71614818 ALGNTFCZRLGFLH-MRXNPFEDSA-N 380.410 4.795 0 50 GJAA O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 77377785 NFHQNFSYWWQMQK-HXUWFJFHSA-N 384.483 4.502 0 50 GJAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C)cc3F)CC2)c1 77425127 ZSGQQOZBXYCRPZ-UHFFFAOYSA-N 377.463 4.852 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 225757644 QINCDKSPGRBOJD-UHFFFAOYSA-N 392.396 4.512 0 50 GJAA O[C@H]1CC[C@H](NCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 244594123 DGTNXFPSNPEQOL-UAPYVXQJSA-N 399.897 4.725 0 50 GJAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@]2(C)CC1 257358148 RXOKKASEHMRJLZ-DLFLOYDBSA-N 386.532 4.980 0 50 GJAA Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccs5)no4)cc3CO2)cc1 263617769 PNKYLIFVNFCQNB-HNNXBMFYSA-N 384.848 4.587 0 50 GJAA CN(CC1(CO)CCC1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 299785313 XWTUNMRYTFDCFB-UHFFFAOYSA-N 377.406 4.607 0 50 GJAA COc1cc2c(cc1OC)[C@@H](NC(=O)c1sc(C)nc1-c1ccccc1)CC2 888088821 SHQYJBPIJYXFCF-KRWDZBQOSA-N 394.496 4.553 0 50 GJAA O=C(NCCc1c[nH]c2ccccc12)c1cc2c(OC(F)(F)F)cccc2[nH]1 1317976534 LZZAVCDISDWKQG-UHFFFAOYSA-N 387.361 4.520 0 50 GJAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1 1185417 WVXWEHRDFJLKND-UHFFFAOYSA-N 396.874 4.997 0 50 GJAA COc1ccccc1C(=O)OCCSc1nc(C)c2cc(C)c(C)cc2n1 1822932 CZOALJCEEOIGHW-UHFFFAOYSA-N 382.485 4.513 0 50 GJAA CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 2998227 MMWIOJIIBXLLNN-INIZCTEOSA-N 393.512 4.631 0 50 GJAA Nc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc3ccccc23)n1 5739948 UXQALNWSEYJMNO-UHFFFAOYSA-N 398.510 4.578 0 50 GJAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 55270256 ZWWSIANKEYCQGC-HSZRJFAPSA-N 386.499 4.620 0 50 GJAA Cc1ccc(F)cc1-c1c(-c2ccccc2)ncn1C[C@H]1CC(=O)N(C2CC2)C1 65531306 PZAWQWTZIZQCHM-QGZVFWFLSA-N 389.474 4.676 0 50 GJAA Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cc1NC(=O)N1C[C@@H]2CCC[C@H]2C1 150820865 CQQHWAUJOALCHP-RDGPPVDQSA-N 396.535 4.523 0 50 GJAA O=c1[nH]c([C@@H]2CSc3ccccc3O2)nc2scc(-c3ccccc3)c12 225517455 IVNJAEBNUCMRBA-HNNXBMFYSA-N 378.478 4.877 0 50 GJAA COc1cccc(COc2cccc(NC(=O)N3CCC[C@@H](OC)CC3)c2C)c1 378625060 OSCFYVOXWDGYJO-LJQANCHMSA-N 398.503 4.615 0 50 GJAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC[C@@H]1CCO 828743383 SSKBVGMGONCOGO-LJQANCHMSA-N 393.483 4.697 0 50 GJAA c1ccc2sc(N3CCCN(Cc4cncn4C4CCCCC4)CC3)nc2c1 1529111458 YUUFXFDCNPPEPJ-UHFFFAOYSA-N 395.576 4.710 0 50 GJAA Cc1cccc(-c2nc([C@H](C)Oc3ccc(Br)cc3Cl)no2)n1 1875331916 ZOHUQSYMLCPWLW-JTQLQIEISA-N 394.656 4.996 0 50 GJAA Cc1nc(C(=O)NCCCOc2ccc(F)cc2)c(-c2ccc(F)cc2)s1 1875334855 ICBZTQBSGGOHFE-UHFFFAOYSA-N 388.439 4.596 0 50 GJAA O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)c1ccccc1 640286 NPPKNSHRAVHLHD-XMMPIXPASA-N 395.458 4.787 0 50 GJAA in-vitro Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl 848489 VWICLYVCHJXHJT-UHFFFAOYSA-N 386.588 4.809 0 50 GJAA COc1ccc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)c(OC)n2)cc1 1119958 GOFFCUAEKUQOLI-UHFFFAOYSA-N 377.375 4.622 0 50 GJAA COc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(OC)cc2)cc1 4523722 UDTOEGLUGAXBLG-UHFFFAOYSA-N 386.407 4.679 0 50 GJAA biogenic CCOC(=O)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 4622284 QJKNBPROOYWWBN-QGZVFWFLSA-N 380.271 4.726 0 50 GJAA COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1O 5090849 UIESNEAFIDJNHL-FQEVSTJZSA-N 380.831 4.825 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)o1 5441836 FJUCQYUXJZEVIC-LJQANCHMSA-N 379.437 4.717 0 50 GJAA biogenic CC[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12000618 GQENRURTKVDFCI-DHLKQENFSA-N 392.543 4.602 0 50 GJAA O=C(/C=C/c1ccccc1)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl 13227842 ASUUWJZQXZZQMW-BOLDSZDNSA-N 387.719 4.700 0 50 GJAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2ccccc2OC)c(F)c1 20515246 QRQCJGLKYYSVLA-HXUWFJFHSA-N 381.451 4.570 0 50 GJAA Cc1sc2ccccc2c1-c1c[nH]c([C@H]2CC(=O)N(Cc3ccccn3)C2)n1 20613887 OPPXRFHFJXFTPF-HNNXBMFYSA-N 388.496 4.511 0 50 GJAA CCc1cccc(NC(=O)c2ccc3c(c2)N(CC)[C@H]2CCCCCN2C3=O)c1 169765996 PTYVXGQXAJYPMR-JOCHJYFZSA-N 391.515 4.684 0 50 GJAA COc1ccc2cc([C@H](C)NCc3cc(OC)c(OC)cc3OC)ccc2c1 170599378 CCHKOQONMQOZPW-HNNXBMFYSA-N 381.472 4.725 0 50 GJAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC[C@H]3Cc4ccccc43)ccc21 170627190 OLNCYCYULSNKKF-OAHLLOKOSA-N 387.405 4.706 0 50 GJAA Cc1ccc(NC(=O)NC2[C@@H]3CCCC[C@@H]23)cc1NC(=O)N[C@@H]1[C@H]2CCCC[C@H]21 239637045 BILSWOJHKFDVQL-NLJKLAEJSA-N 396.535 4.615 0 50 GJAA Cc1nc2ccc(NC(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)cc2s1 299787343 QEHRFYMPIZSKEX-GFCCVEGCSA-N 383.473 4.601 0 50 GJAA CC(C)CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 408514425 SPIYLKJNKQBWFJ-UHFFFAOYSA-N 396.922 4.990 0 50 GJAA Cc1n[nH]cc1CNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 728190303 FGDVDPHEDIIIQX-UHFFFAOYSA-N 388.443 4.706 0 50 GJAA O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1c[nH]c(C(F)(F)F)c1 1343588257 PSUZULCHACEGGJ-UHFFFAOYSA-N 393.601 4.795 0 50 GJAA Cc1ccc([C@H](NC2CCN(Cc3ccco3)CC2)c2cccnc2)c(C)c1 1506429068 UGYDUQGQMGNKFS-XMMPIXPASA-N 375.516 4.635 0 50 GJAA C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 1875349908 SEHAUVLCVZSARQ-NSHDSACASA-N 376.243 4.790 0 50 GJAA CCOC(=O)c1sc2ncnc(Nc3cc(Cl)ccc3OC)c2c1C 756822 YCGBQTSFQMMMTP-UHFFFAOYSA-N 377.853 4.582 0 50 GJAA O=C(Nc1nccs1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 780588 QVYAGVDOGXNJSC-UHFFFAOYSA-N 388.408 4.859 0 50 GJAA Cc1ccccc1Cn1nc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C 1002207 FZJCSGYVCDORSZ-KRWDZBQOSA-N 397.906 4.916 0 50 GJAA CC(C)(C)NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1060132 OGLUEEQWZYBUPY-UHFFFAOYSA-N 386.495 4.986 0 50 GJAA CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 1193723 WKTDRYOJYQPVHO-UHFFFAOYSA-N 375.262 4.786 0 50 GJAA COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)C[C@@H]21 1202561 LASWRNMHUGGQMD-FQEVSTJZSA-N 384.435 4.676 0 50 GJAA O=C(OCc1ccc2ccccc2c1)c1ccccc1I 2844479 PKZKXQHGOYURRC-UHFFFAOYSA-N 388.204 4.801 0 50 GJAA COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1OC 6248774 FBYIKUMEQCOBSP-RDPSFJRHSA-N 386.451 4.946 0 50 GJAA COc1ccc(-n2cc(CNCCOC(C)C)c(-c3ccccc3Cl)n2)cc1 12594600 YJKOBXLQLGLUHI-UHFFFAOYSA-N 399.922 4.716 0 50 GJAA C[C@@H](c1nccs1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 14959320 COHLDLYMRNLHIM-ZDUSSCGKSA-N 395.459 4.847 0 50 GJAA Cc1oc(-c2cccc3ccccc23)nc1CN1CCN(C2CCCC2)CC1 19739548 YZAUPDHEQVQNBZ-UHFFFAOYSA-N 375.516 4.863 0 50 GJAA COc1ccccc1Nc1nnc(SCc2noc(-c3ccccc3)n2)s1 130795581 GPDOOAMFTKTMIE-UHFFFAOYSA-N 397.485 4.633 0 50 GJAA COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)c1 225514760 MSOKSFHKTAXRGE-IBGZPJMESA-N 377.469 4.836 0 50 GJAA CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3CCOc4c(C)cccc43)c2)n1 240407377 FLSYOILXENCPAN-QGZVFWFLSA-N 392.459 4.561 0 50 GJAA C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 248118997 MNVZAXASRIFKJS-ZHRRBRCNSA-N 396.581 4.977 0 50 GJAA CN(C(=O)c1ccc(CN2CCCC2=O)cc1)[C@H]1CCCC[C@H]1c1ccccc1 415983429 NSLMHVJAUGDTCX-GOTSBHOMSA-N 390.527 4.607 0 50 GJAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc21 746797550 CCNSKGXJSQYAKF-URXFXBBRSA-N 397.474 4.771 0 50 GJAA CC(C)(C)[C@H]1CN(Cc2cc(-c3ccncc3)no2)C[C@@H](c2ccccc2)O1 1857715971 PWJUPWBAFCLCHU-FCHUYYIVSA-N 377.488 4.725 0 50 GJAA Cc1sc2nc([C@H](C)OC(=O)c3ccc(O)c4ccccc34)nc(O)c2c1C 1875264478 MIZWJAUNIRHEPS-NSHDSACASA-N 394.452 4.791 0 50 GJAA C[C@H](C1CCOCC1)n1nc(-c2ccoc2)nc1Cc1ccc2cccnc2c1 1875330990 KONKLTSDPYSBBI-MRXNPFEDSA-N 388.471 4.665 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 669586 WLNOHGYPHCFZEX-LLVKDONJSA-N 390.936 4.904 0 50 GJAA O=C(O)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 689897 QLINFGQSAXACLV-UHFFFAOYSA-N 398.426 4.801 0 50 GJAA O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1 695647 JWYIVJUJWDLXNP-GFULKKFKSA-N 381.482 4.508 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@@H](C(C)(C)C)C2 995174 YKJJGJIVGZADAN-GFCCVEGCSA-N 375.490 4.839 0 50 GJAA COc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1C 1077052 BFQIXYFMERRJDJ-UHFFFAOYSA-N 390.306 4.546 0 50 GJAA O=C(CSc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 1143074 PIMQMAZJVZIKKJ-UHFFFAOYSA-N 377.425 4.727 0 50 GJAA CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)c1 1217330 XGHXLHJXPOXIFE-UHFFFAOYSA-N 386.455 4.688 0 50 GJAA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc2ccccc12 1231145 CFQASHQPKQEKFK-PDGQHHTCSA-N 378.225 4.947 0 50 GJAA CCN(CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl 2954510 BJVKKGWBWFETGR-LJQANCHMSA-N 392.330 4.902 0 50 GJAA O=C(/C=C/c1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2993273 NXLRXVYSTZWTJS-CMDGGOBGSA-N 394.824 4.721 0 50 GJAA O=c1c2ccccc2nc(-c2ccccc2Br)n1-c1ccc(O)cc1 4802416 NBFRDVCZNRAKCS-UHFFFAOYSA-N 393.240 4.521 0 50 GJAA CCOC(=O)c1c(NC(=S)N2C[C@@H](C)C[C@H](C)C2)sc2c1CCCCC2 5979977 DJJDELITCURDFD-KBPBESRZSA-N 394.606 4.868 0 50 GJAA CN(C1=C(Cl)C(=O)N(c2ccc(Cl)cc2Cl)C1=O)C1CCCCC1 6162610 YWNZPECMBGOYAP-UHFFFAOYSA-N 387.694 4.582 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12597856 DATPJPPILXRQGU-SFHVURJKSA-N 392.430 4.577 0 50 GJAA CCCCc1ccc(-c2csc(NC(=O)c3cccnc3)c2C(N)=O)cc1 13328662 OAXBHHWBEAJAAP-UHFFFAOYSA-N 379.485 4.504 0 50 GJAA Cc1ccc(NC(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c(C)c1 15069939 GEMWYBWOQVGDIH-OAQYLSRUSA-N 397.538 4.861 0 50 GJAA O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc2cccnc12 40566646 OHQJLFLDUIDPNE-UHFFFAOYSA-N 388.659 4.963 0 50 GJAA in-vitro CCOC(=O)N1CCN([C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 96027786 OXYVHNMJZXALAB-LJQANCHMSA-N 392.421 4.569 0 50 GJAA CCCN(CCc1cccc(F)c1)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 253417652 CVKBDUBMAHYMPI-NRFANRHFSA-N 379.479 4.552 0 50 GJAA CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](C=C(Br)[C@@H]3O)[C@@]12c1ccccc1 254838681 LXXURMUGPWKUQM-GKCFXGPNSA-N 381.313 4.802 0 50 GJAA Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccccc4Cl)no3)c2CO1 263615394 CEVXAHQLWWXAOS-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA COc1ccc(-c2noc(-c3cccn3Cc3cc(F)cc(F)c3)n2)cc1OC 263619366 YJUKMLYWTCPJAY-UHFFFAOYSA-N 397.381 4.549 0 50 GJAA O=C(c1cccc(-c2ccc(O)cc2)c1)N(Cc1ccccn1)Cc1ccco1 426574774 DIFNFYFXQFJARW-UHFFFAOYSA-N 384.435 4.890 0 50 GJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 952970973 XKSVPOHKEXYPNM-UHFFFAOYSA-N 379.504 4.582 0 50 GJAA Brc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1 641952 PYMBATDYUCQLBC-UHFFFAOYSA-N 391.066 4.731 0 50 GJAA CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1206823 UBDOIXKMXCICLP-UHFFFAOYSA-N 392.842 4.782 0 50 GJAA CC[C@H]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(=O)OC)C1 2764015 CAQPUJYCRNPLIP-ZDUSSCGKSA-N 389.542 4.780 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c(=O)o1 5441710 IFTOLFFKMKSNOE-IBGZPJMESA-N 379.437 4.717 0 50 GJAA biogenic O=C(CC[C@H]1CCCN(C2Cc3ccccc3C2)C1)NCc1ccccc1Cl 11716362 CQXNNEQYAVAUGX-GOSISDBHSA-N 396.962 4.616 0 50 GJAA Fc1ccc(Cn2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)n2)cc1 13330890 PTISJPWEULTYOH-UHFFFAOYSA-N 378.835 4.672 0 50 GJAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(CC2CCCCC2)CC1 15079315 CEGNFWMSUFTTCH-UHFFFAOYSA-N 394.563 4.672 0 50 GJAA CCOc1ccccc1N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 19721029 DNAQZRXRNKREPI-UHFFFAOYSA-N 381.907 4.922 0 50 GJAA O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(F)(F)F 64858075 YKIRCSCMMMEEDI-AVHJZUJCSA-N 390.442 4.701 0 50 GJAA in-vitro O=C(c1cccc(O)c1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71708061 VPCLLDAYNBVMRP-MRXNPFEDSA-N 377.406 4.896 0 50 GJAA COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(c2c[nH]cn2)CC1 253393741 HTIXOLSAZHOODZ-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA CC[C@@H](NC(=O)c1cccc(-c2cn(C(F)F)nc2C)c1)c1ncccc1C 299795930 NATUVKRMVZEPBH-GOSISDBHSA-N 384.430 4.838 0 50 GJAA CCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(-c2ccccc2)cc1 1775964818 FPYQSFNOHVZAQG-UHFFFAOYSA-N 399.446 4.885 0 50 GJAA CCOc1c(Cl)cc(CNCc2c[nH]nc2-c2cccc(F)c2)cc1OC 1875318157 NZUHCOPDYLSVBI-UHFFFAOYSA-N 389.858 4.566 0 50 GJAA CC[C@H](NC(=O)c1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(OC)cc1 2325805075 NMPDZIGVCYXWFI-INIZCTEOSA-N 387.386 4.564 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(I)cc1 723580 KYNOAOMVHBXTDA-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(Cl)c3)cc2)cc1 957959 NBNJMDYTGMFMFV-UHFFFAOYSA-N 395.842 4.885 0 50 GJAA CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc12 998234 POVXICOIUWEXOO-UHFFFAOYSA-N 386.245 4.671 0 50 GJAA O=P1([C@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OCCCO1 2810177 FFMJOCZXAWBDCB-INIZCTEOSA-N 398.193 4.895 0 50 GJAA CCOc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1OC(C)=O 4144832 LIHQIUBCTGBQFU-DHZHZOJOSA-N 391.423 4.655 0 50 GJAA Clc1ccc(C2=Nn3c(Cc4cccc5c4CCCC5)nnc3SC2)cc1 45068371 FELMJQISKXGZKA-UHFFFAOYSA-N 394.931 4.759 0 50 GJAA c1cnc(Oc2cccc(CN(Cc3ccsc3)C[C@@H]3CCCO3)c2)nc1 55133852 SMUWVLLSMLXXJI-FQEVSTJZSA-N 381.501 4.512 0 50 GJAA CCCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12 63855639 LWXVEYXWCWDFBN-UHFFFAOYSA-N 376.504 4.914 0 50 GJAA Cc1[nH]c2c(C)cccc2c(=O)c1CN(C(=O)c1ccccc1)c1ccccc1 67630194 TZPAGFRYPRJNDS-UHFFFAOYSA-N 382.463 4.992 0 50 GJAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)nn1 72437823 IXQIVSQVZRMLJI-UHFFFAOYSA-N 389.333 4.728 0 50 GJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 225793432 JMJXZVUNVBQREH-WZBLMQSHSA-N 397.858 4.984 0 50 GJAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 736116011 DMFFXBAXDGTVKS-UKTRLQBQSA-N 389.495 4.934 0 50 GJAA Cc1cccc2nc([C@@H]3CCCN(C(=O)c4cc(-c5ccccc5)no4)C3)[nH]c12 1506407925 MIFNKGOCJFEUFK-QGZVFWFLSA-N 386.455 4.546 0 50 GJAA COc1cccc2c1[C@H](NC[C@H](O)Cc1ccc3ccccc3c1)C[C@@H](C)C2 1875345095 RYQJPCUMQHGXJV-JJEOQYAHSA-N 375.512 4.665 0 50 GJAA CC[C@@H](C)Oc1ccc(-c2noc([C@@H]3CCC(=O)N(c4ccccc4)C3)n2)cc1 2332239324 HIIGJLUWOTUBLQ-SJLPKXTDSA-N 391.471 4.825 0 50 GJAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 754975 UJLFYDISOKCPGY-LIKPIUCQSA-N 385.850 4.737 0 50 GJAA biogenic Cc1ccc2oc(C(=O)Nc3cccc(I)c3)c(C)c2c1 1128214 BGGRJAQPTLHIGY-UHFFFAOYSA-N 391.208 4.907 0 50 GJAA Cc1nnc(SCc2ccc(F)cc2)n1NCc1c(F)cccc1Cl 2177945 PRVFCZHQCVPFFC-UHFFFAOYSA-N 380.851 4.554 0 50 GJAA O=C(OCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 2812130 FSDGTYAXLWTVMU-IBGZPJMESA-N 382.460 4.661 0 50 GJAA biogenic,in-vitro COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3259578 SBRDJWYJEUAXCB-UHFFFAOYSA-N 387.414 4.939 0 50 GJAA CCOc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1 3998841 ARYWEMRNQGDEIT-UHFFFAOYSA-N 391.519 4.949 0 50 GJAA COc1ccc(CN[C@@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)O)cc1 5359827 VTYYKGBUENXXGF-QFIPXVFZSA-N 395.499 4.559 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cscn2)C1 11773942 DGOUPMUSNCQBCV-QGZVFWFLSA-N 392.480 4.671 0 50 GJAA COc1ccc(N[C@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)cc1 11937364 HHQLCTGXFOEVIO-FQEVSTJZSA-N 386.923 4.774 0 50 GJAA O=C(NCc1nc(NC2CCCC2)c2cc(Cl)ccc2n1)[C@@H]1CC=CCC1 12028671 WTEHUWBFUOLUFI-CQSZACIVSA-N 384.911 4.610 0 50 GJAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)O3)cc1 12279634 GDWUAEWYQHOXPI-NITZCXFCSA-N 391.536 4.707 0 50 GJAA COc1cc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cc(Cl)c1O 12385816 JGCURWMSQCMXSV-AWEZNQCLSA-N 379.909 4.519 0 50 GJAA O=C(c1ccc(OC2CCN(C[C@@H]3CC=CCC3)CC2)cc1)N1CCCCC1 12836833 CLIWUZHUQOVCNN-HXUWFJFHSA-N 382.548 4.512 0 50 GJAA CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 16650702 WVGXKSZVTUKOGC-UHFFFAOYSA-N 398.934 4.956 0 50 GJAA COc1ccccc1[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN21 25581854 HXFKBUGOAVGLTR-HYBUGGRVSA-N 386.451 4.946 0 50 GJAA CCN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)CC1 55057228 HBDLZUCDPNTHOO-UHFFFAOYSA-N 387.527 4.605 0 50 GJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(C)cc3)cn12 67974291 NYINZTAWNNLSCD-IBGZPJMESA-N 390.512 4.990 0 50 GJAA CN(C[C@H]1CC[C@H](C(=O)O)CC1)C(=O)OCC1c2ccccc2-c2ccccc21 100048239 RUPNBZQCCALWQZ-CALCHBBNSA-N 393.483 4.758 0 50 GJAA Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 154236885 KBXNRXDKABNVQR-SFHVURJKSA-N 397.519 4.725 0 50 GJAA Cc1c(Nc2ncc(Br)cc2C(=O)O)cccc1C(F)(F)F 219130843 DPVZCCDJNSXPLA-UHFFFAOYSA-N 375.144 4.613 0 50 GJAA Cc1cc(COC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c2ccccc2n1 242305013 YUBCKYZVNQAZLV-UHFFFAOYSA-N 395.365 4.888 0 50 GJAA Cc1ccc2cc(-c3ocnc3Cc3ccccc3)c(N3CCOCC3)nc2c1 2356143009 QOVREZCJOLDKGY-UHFFFAOYSA-N 385.467 4.626 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3cccc(O)c3Cl)C2=O)cc1 2356149469 BPJOBEDKDFWQOO-QFIPXVFZSA-N 384.907 4.516 0 50 GJAA C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 758826 QTORIVMCWNSTKP-ZDUSSCGKSA-N 388.558 4.813 0 50 GJAA CCOC(=O)c1cnn2c1N[C@@H](c1ccc(C(C)C)cc1)C[C@H]2C(F)(F)F 1071562 YTHKWYQPULVTLD-CVEARBPZSA-N 381.398 4.844 0 50 GJAA CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 1143018 OTRUTFMQQWPWFI-UHFFFAOYSA-N 384.907 4.702 0 50 GJAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(I)cc1 1219722 PRZALAFRXDICKL-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl 1425197 UMIVFEPGKJAAJG-UHFFFAOYSA-N 380.300 4.732 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 2052348 GRHZVNQRHWPPAN-UHFFFAOYSA-N 376.909 4.954 0 50 GJAA CN(C)CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 2438956 DRIZMJQNTPKFOD-UHFFFAOYSA-N 385.943 4.711 0 50 GJAA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)(C)C)oc2cc1O 5799774 IFRBLXNOFIEPOF-UHFFFAOYSA-N 376.456 4.912 0 50 GJAA biogenic COc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3)sc2c1 9009733 YMLKSDCCILBLAX-UHFFFAOYSA-N 376.865 4.756 0 50 GJAA CCCn1cc(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(C)n1 15074046 PAYLPTMHEDGZMV-OAQYLSRUSA-N 377.536 4.571 0 50 GJAA Cc1nn(C)c(Cl)c1CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 19745479 QUVQMBANTBUZLB-HXUWFJFHSA-N 385.870 4.657 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(C)s4)ns3)no2)cc1 28291187 WJGYIGFSZMZXJF-UHFFFAOYSA-N 382.470 4.791 0 50 GJAA C[C@@H](c1ccccc1)c1cc2c(=O)n(Cc3nc4ccccc4[nH]3)cnc2s1 32561052 ODYQHBOPDBZYOW-AWEZNQCLSA-N 386.480 4.534 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 39942669 XWJTYEGVQBFZHI-KCOXYSBZSA-N 390.564 4.542 0 50 GJAA biogenic Cc1cc(C(=O)NCc2cc(-c3cccc(F)c3)no2)c2ccc(C)c(C)c2n1 77298455 YDJHCCWHHJYYFM-UHFFFAOYSA-N 389.430 4.884 0 50 GJAA O=C(Nc1ccccc1-c1ccccc1)c1c(O)c2cccc3c2n(c1=O)CCC3 252497290 QCYRRBBVSQVASP-UHFFFAOYSA-N 396.446 4.573 0 50 GJAA COC(=O)c1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc2[nH]ccc12 425984279 HETMBCJUUOIJDM-INIZCTEOSA-N 390.361 4.629 0 50 GJAA O=C(Nc1ccccc1N1CCCCC1=O)N1CCC(c2ccsc2)CC1 888102442 ZHOQGAWOWMBMCM-UHFFFAOYSA-N 383.517 4.677 0 50 GJAA Cc1cc(N2CCC[C@@H](c3nc(C(C)C)no3)C2)nc2cc3c(cc12)CCC3 1529191991 MIFNLTJHEJZSGX-GOSISDBHSA-N 376.504 4.922 0 50 GJAA O=C1C[C@H](c2ccc(-c3ccc(-c4ncc(-c5ccc(O)cc5)o4)cc3)cc2)CN1 1875249535 ZSFKSMFPOWRDJY-NRFANRHFSA-N 396.446 4.985 0 50 GJAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OC(C)C 630465 UDBVJKCWLNBJFH-UHFFFAOYSA-N 380.440 4.889 0 50 GJAA biogenic CN(C(=O)Oc1ccccc1OC(=O)N(C)c1ccccc1)c1ccccc1 938390 VWMGIFWVPDENFW-UHFFFAOYSA-N 376.412 4.957 0 50 GJAA CC(C)(C)c1ccc([C@]23OC(=O)C4(CCCC4)[C@H]2OC(=O)C32CCCC2)cc1 1080885 IKFFIXROKMWUGO-KOSHJBKYSA-N 382.500 4.782 0 50 GJAA biogenic Cc1ccc(C(=O)OCc2ccc(Br)cc2)cc1NC(=O)C(C)C 1141207 LGYSYPRMBZKMDS-UHFFFAOYSA-N 390.277 4.709 0 50 GJAA CC(C)C(=O)N[C@@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl 1231026 DTJNDQYIFJHIGL-LLVKDONJSA-N 377.621 4.586 0 50 GJAA O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 2809748 FMWDZWJBACLEKI-UHFFFAOYSA-N 397.521 4.640 0 50 GJAA Cc1ccc(C)c(NC(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 3016785 SOSSHJALJQWKBS-UHFFFAOYSA-N 388.467 4.882 0 50 GJAA COc1cc2c(cc1NC(=O)c1cccc(OC(C)=O)c1)oc1ccccc12 4843007 MLLFJZNWKIXKLZ-UHFFFAOYSA-N 375.380 4.772 0 50 GJAA COCC[C@@H]1CCCCN1Cc1nc(NCc2cccs2)c2ccccc2n1 11909579 WTHGYCRGGYXCJP-KRWDZBQOSA-N 396.560 4.694 0 50 GJAA O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C/C=C/c1ccccc1)CC2 12052343 YTBRIKZWLCUMPU-QMZDIEEXSA-N 378.560 4.809 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cn1 55253229 SQHQGXUBNHZFHN-LJQANCHMSA-N 391.540 4.917 0 50 GJAA Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cnc(C4CCCC4)nc3)nc2c1 63846360 JMNBTLJUXCAWFR-UHFFFAOYSA-N 386.499 4.894 0 50 GJAA O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71763262 DFKZXERZWGHROQ-HNNXBMFYSA-N 377.406 4.896 0 50 GJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(c3ccncc3)CC2)c1 96166751 OBYMIQHHKDVVHJ-UHFFFAOYSA-N 387.483 4.612 0 50 GJAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCC[C@@H]1c1cccc(OC)c1 299782017 PDAUJMDGZULBRW-HXUWFJFHSA-N 382.460 4.666 0 50 GJAA CC[C@@H]1C[C@@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 328595385 TVLYCKCDXQFCLX-DZGCQCFKSA-N 380.326 4.669 0 50 GJAA O=C1CCc2ccccc2N1CC(=O)N1CC[C@H](c2ccccc2)c2ccccc21 1353531167 IVJYDRKMLZKGQL-OAQYLSRUSA-N 396.490 4.535 0 50 GJAA COc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c1O 1775954043 STGGTAKNGHQNCT-PFONDFGASA-N 398.462 4.887 0 50 GJAA O=C1C[C@H](n2ccnc2-c2ccc(CC(F)(F)F)cc2)CN1Cc1ccccc1 1857689143 GYXJLOHNBNADCH-IBGZPJMESA-N 399.416 4.629 0 50 GJAA Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 947711 FJFICUVNGPITJP-UHFFFAOYSA-N 386.524 4.993 0 50 GJAA COc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1C(C)C 1061134 KSIIIUZIHIVZCR-UHFFFAOYSA-N 390.530 4.846 0 50 GJAA CCOc1ccc(Br)cc1C(=O)N[C@H](C)CCc1ccccc1 1130950 WUEKTNFHHJSSMR-CQSZACIVSA-N 376.294 4.599 0 50 GJAA CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C)oc2c1 1155509 MUHKAMSHBVPWAH-UHFFFAOYSA-N 396.439 4.959 0 50 GJAA CCOC(=O)c1c(C)oc2ccc(O[C@@H](C(=O)OCC)c3ccccc3)cc12 1155757 AFMSVNRTDPELSQ-HXUWFJFHSA-N 382.412 4.601 0 50 GJAA biogenic CCc1ccccc1NC(=O)c1cc(I)ccc1Cl 1158060 PKZKTRQZRDQIKA-UHFFFAOYSA-N 385.632 4.759 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCSCc1ccco1 2380520 SBBGXCLWBYVDPQ-UHFFFAOYSA-N 394.855 4.699 0 50 GJAA CCCc1ccc2oc(C(=O)N3CCC(OCc4ccccn4)CC3)c(C)c2c1 11661089 RZPCJFUCJYBQDD-UHFFFAOYSA-N 392.499 4.910 0 50 GJAA Cc1ccc(-c2n[nH]cc2CNCc2cccc(OC(F)(F)F)c2)cc1C 12301891 DKBGTHOAIFXMNB-UHFFFAOYSA-N 375.394 4.882 0 50 GJAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)on1 13595399 DESBTUBMEUDODU-IBGZPJMESA-N 376.456 4.686 0 50 GJAA COc1cccc(CN2CCC[C@@H](NCc3nc(-c4ccccc4)cs3)C2)c1 22929162 NGGHOEYMVAYDES-HXUWFJFHSA-N 393.556 4.573 0 50 GJAA CCCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 33269799 CJLQCWLZZILBDY-SFHVURJKSA-N 385.851 4.913 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)no2)cc1OC 36620529 PRVOKYRPIYYABM-IBGZPJMESA-N 392.455 4.645 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=O)C4(Cn5ccnc5)CC4)c(C)c3)nc2c1 55211109 IHUIUEFZFMSAPY-UHFFFAOYSA-N 386.455 4.727 0 50 GJAA C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]cn1 67772635 BWDLJCGMEFGYRR-SFHVURJKSA-N 380.536 4.636 0 50 GJAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 124062365 JIXRTDIJXFIAQE-SQNIBIBYSA-N 396.556 4.954 0 50 GJAA O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c(C2CC2)nc2sccn12 1875263294 JLRYCPFGPNCVCU-UHFFFAOYSA-N 383.439 4.658 0 50 GJAA Fc1ccc([C@@H]2CN(c3nc4cc(F)c(F)cc4s3)CCO2)c(Cl)c1 1875306690 CIMVLVAWJOXTKW-HNNXBMFYSA-N 384.810 4.945 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@@H](C)C(F)(F)C3)cccc2c1=O 2325745024 RVRURZPGUKLXES-CQSZACIVSA-N 397.421 4.886 0 50 GJAA COc1ccccc1CCNC(=O)c1cc(-c2cccs2)nc2ccccc12 1074115 JNRZYPBOHKIEMH-UHFFFAOYSA-N 388.492 4.944 0 50 GJAA CCOC(=O)C(=O)N1c2c(C)cccc2-c2c(ssc2=S)C1(C)C 2290585 REEUNPUFWUWSEP-UHFFFAOYSA-N 379.528 4.659 0 50 GJAA O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1 3797383 WZBNEZWCNKUOSM-VOTSOKGWSA-N 375.211 4.825 0 50 GJAA investigational Fc1ccc(N[C@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)cc1F 11718194 SGVPCPOFTUZMGR-SFHVURJKSA-N 396.441 4.624 0 50 GJAA CCOc1ccccc1-c1nc(CN(CC2CCC2)C[C@H]2CCCO2)c(C)o1 11997422 LLTKNXXQDZBPHH-LJQANCHMSA-N 384.520 4.830 0 50 GJAA O[C@H](Cn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1)c1cccnc1 65371424 TZCMMPHFGDIUEI-UQNNOOFXSA-N 385.442 4.988 0 50 GJAA CC(C)n1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cn1 67755388 LVFCBTVZVJDYRL-UHFFFAOYSA-N 397.906 4.885 0 50 GJAA Clc1ccc(-c2nnc(SCc3ncccn3)n2-c2ccccc2)cc1 170610946 XCZYAQLVDYPKQV-UHFFFAOYSA-N 379.876 4.670 0 50 GJAA Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 239309809 HWHYSSATNZEECJ-WNRNVDISSA-N 398.528 4.927 0 50 GJAA CC(=O)Nc1ccc(C)c(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1 252480186 BXOZAVUZJZGAGO-UHFFFAOYSA-N 396.878 4.662 0 50 GJAA Cc1cc(C)n(-c2cccc(NC(=O)NCc3csc(-c4ccco4)n3)c2)n1 478229309 NSYITLQCTHAEQT-UHFFFAOYSA-N 393.472 4.527 0 50 GJAA Cc1nc([C@@H](C)N(C)Cc2cccc(OCCCn3ccnc3)c2)c(C)s1 952975359 PQDGTEFJAZZMBW-MRXNPFEDSA-N 384.549 4.619 0 50 GJAA CC[C@@H](NC(=O)Nc1ccnn1Cc1ccc(F)cc1)c1cc(F)ccc1F 1476470797 DGGHFDQUNVGATD-GOSISDBHSA-N 388.393 4.622 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C1)CC2 1704315500 HLPJECILNSVOOG-SANMLTNESA-N 381.523 4.836 0 50 GJAA Cc1nc(-c2nccn2CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cn1C 1857701131 QFUYIPIWQIPLDD-HSZRJFAPSA-N 378.520 4.509 0 50 GJAA CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCCC2 751998 GGKSXYJKVWZCHB-UHFFFAOYSA-N 375.515 4.534 0 50 GJAA CCOc1cc(C(=O)N[C@H](C)CCc2ccccc2)cc(OCC)c1OCC 1151217 QYMHJJGFZPDQFJ-QGZVFWFLSA-N 385.504 4.634 0 50 GJAA CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccc(Cl)cc1 1167608 RCZWDYJXLUSDGK-UHFFFAOYSA-N 383.625 4.533 0 50 GJAA COC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 2523611 QERMKFBRNOSQEO-UHFFFAOYSA-N 394.283 4.506 0 50 GJAA CCOCc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 2848496 IONGOJIGQDVXRC-QGZVFWFLSA-N 385.514 4.547 0 50 GJAA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1CC=CC[C@H]1C(=O)O 5631360 DBKJUQTWUYLUEB-WDEREUQCSA-N 397.283 4.722 0 50 GJAA O=C(NCCC(c1ccccc1)c1ccccc1)c1cn(C2CCCCC2)nn1 12314237 OIXXCPJFLZUWMG-UHFFFAOYSA-N 388.515 4.735 0 50 GJAA COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 25583318 NWOGZKVGKUPAQP-ZJSXRUAMSA-N 386.451 4.946 0 50 GJAA CSc1ccccc1-c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 67774393 PWGAMZDXDMNSDV-GOSISDBHSA-N 396.556 4.938 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@]3(C)CCCO3)cc(Cl)cc12 71751013 LMRSBVQIOVXCGN-QFIPXVFZSA-N 382.891 4.982 0 50 GJAA COc1ccc(NC(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)c(C)c1 96167193 ZMLBSJGULMENLL-VMLCMGRWSA-N 380.488 4.730 0 50 GJAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 110046377 RMQSGXKESXUHTE-FOIQADDNSA-N 386.499 4.560 0 50 GJAA CC(=O)OCCN(C[C@H]1[C@@H](C)CC(C)=C[C@H]1C)C[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 239025465 BRHVDTJVVBPNCJ-AHHHIPPOSA-N 375.597 5.328 0 50 GJAA C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303651917 BHSJEDGCHMFENA-QFUCXCTJSA-N 386.499 4.728 0 50 GJAA CCc1c(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)[nH]c2ccccc12 1506408908 NIDKWEOHOFZXAN-IBGZPJMESA-N 388.511 4.784 0 50 GJAA COc1ccccc1-c1ccc([C@@H](C)NCc2nc(-c3ccncc3)no2)cc1 1875256794 XRQFJDPLTQNRFK-MRXNPFEDSA-N 386.455 4.658 0 50 GJAA Cc1ccc(Br)c2c1CC[C@@H]2NCCCN1CCc2ccccc2C1 1875345474 YSNLVGHPTISDSQ-NRFANRHFSA-N 399.376 4.783 0 50 GJAA CN(CCOc1ccc(Cl)cc1)c1nccc(SCc2ccccc2)n1 1875362585 KYUOOBGVTGVDGC-UHFFFAOYSA-N 385.920 4.938 0 50 GJAA FC(F)(F)c1ccnc(Nc2ccc(CN[C@H]3CCCn4nccc43)cc2)c1 2325756265 QHRAOIGGKXBGON-KRWDZBQOSA-N 387.409 4.665 0 50 GJAA O=C(O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2 714972 XURMCMFXDBAMAT-UHFFFAOYSA-N 377.465 4.706 0 50 GJAA Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc3c(cc12)CCC3 803774 RDZJGYYTQZFKSA-UHFFFAOYSA-N 378.284 4.926 0 50 GJAA O=C(NC(=S)Nc1ccc(Br)c2ccccc12)c1cccs1 1177935 MOFZMLOYMMZUOY-UHFFFAOYSA-N 391.315 4.791 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC 2837078 DXGJAXLZXHNGJZ-UHFFFAOYSA-N 380.517 4.567 0 50 GJAA CC[C@@H](C)Nc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(F)cc1 2866632 GYZSFCVSSVZCMW-CQSZACIVSA-N 388.464 4.832 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 2872333 WLFMXYKIYMFZFJ-UHFFFAOYSA-N 381.856 4.528 0 50 GJAA COc1cc2c(cc1NC(=S)NC(=O)c1ccc(F)cc1)oc1ccccc12 3225479 ZMOHSSMAEOASLB-UHFFFAOYSA-N 394.427 4.861 0 50 GJAA O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN1Cc1ccccc1 4342453 IPSABLMEYFYEHS-HSZRJFAPSA-N 384.479 4.521 0 50 GJAA in-vitro CCOc1ccccc1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 4992420 CFDHNYJIJLPSDW-UHFFFAOYSA-N 378.472 4.626 0 50 GJAA Cc1ccc(-n2cc(CN[C@@H](C)c3cnn(C)c3)c(-c3cccc(C)c3)n2)cc1 11816673 YRXWMSOASXJRRO-IBGZPJMESA-N 385.515 4.740 0 50 GJAA CSc1cccc(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 13320031 FQUYAQSDCPUFNL-UHFFFAOYSA-N 383.561 4.882 0 50 GJAA CCN(CC)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 19228430 WWKIAZNUHAAVRD-INIZCTEOSA-N 390.936 4.861 0 50 GJAA CSc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 19781934 VQUVQFHJWMFVNQ-UHFFFAOYSA-N 380.479 4.745 0 50 GJAA CCCc1cc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCCN(CC)C2)on1 65408246 LYPNVFXGPQEHLD-LJQANCHMSA-N 378.520 4.738 0 50 GJAA Cc1nc(COc2cccc(/C=C/C(=O)OCCCc3cccnc3)c2)cs1 119767508 CUXGKHKUUHIOTP-MDZDMXLPSA-N 394.496 4.615 0 50 GJAA CCOC1CCN(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 171600069 OIJJDJYVRODRLX-CQSZACIVSA-N 391.512 4.529 0 50 GJAA COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1F 189690087 HSOVBADBSKLYQP-HXUWFJFHSA-N 393.462 4.521 0 50 GJAA CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Br)cc3O2)CC1 217039277 PBXPWRSSBXSKPZ-UHFFFAOYSA-N 382.298 4.544 0 50 GJAA C[C@]12CCC3(C[C@@H]1CC[C@H]1[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]12)OCCO3 253501605 MNFVYVHTLBDTIR-XUDSTZEESA-N 376.537 4.515 0 50 GJAA O=C(NC[C@@H](O)c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 302001036 XXIHOXLWYXDKND-HXUWFJFHSA-N 385.385 4.836 0 50 GJAA CC1(C)CCc2cc(CNc3ccccc3CN3CCC(CO)CC3)ccc21 1875345156 UASFDFATRXSVND-UHFFFAOYSA-N 378.560 4.727 0 50 GJAA COc1cc([C@@H](C)NC(=O)[C@@H](N)c2ccc(F)c(Cl)c2)cc2ccccc12 2325860522 KNWFWYUIJCHQLI-ODXCJYRJSA-N 386.854 4.518 0 50 GJAA CC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3CCC(C)C)cc1 2356146295 ZRFFJDAKAUWZQI-SBFWRKJZSA-N 396.575 4.640 0 50 GJAA O=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Cl)cc1 709134 JXVSMMMWQPBMDI-UHFFFAOYSA-N 392.871 4.949 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@H](c2ccncc2)Nc2ccccc2-3)cc1 713096 NNISDZVCHHWZOC-HXUWFJFHSA-N 399.479 4.729 0 50 GJAA COC(=O)c1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 1116908 ZWIWYRHLFVZRTG-UHFFFAOYSA-N 392.636 4.532 0 50 GJAA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)[C@@H]1C[C@H]1c1ccccc1 2761513 NEOSFJBKQOZFLS-JKSUJKDBSA-N 386.282 4.980 0 50 GJAA O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 2955447 JNLADQBGUSGWRI-QHCPKHFHSA-N 384.435 4.615 0 50 GJAA COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C(C)C)CC1 3003512 WSYFBGXSTPZZNF-UHFFFAOYSA-N 382.548 4.718 0 50 GJAA Cn1c(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc2ccccc21 4709654 ZAKRRNVAOIGYBC-UHFFFAOYSA-N 387.414 4.822 0 50 GJAA CSCCCN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 14964920 WQPVJHADHKJMAE-UHFFFAOYSA-N 386.536 4.896 0 50 GJAA CCC(CC)C(=O)N1CCOc2c(cc(-c3cccc(OC)c3)cc2OC)C1 14992115 WQNHPFNERJYJEL-UHFFFAOYSA-N 383.488 4.528 0 50 GJAA O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1C[C@@H]2C=C[C@H]1C2 15067723 FBKHDHFXFPTYQU-OBQMCUGOSA-N 385.916 4.700 0 50 GJAA CC(C)N1CCC(N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1 20454233 QJNQAEIFGNPZTH-OAQYLSRUSA-N 390.571 4.706 0 50 GJAA COc1cc2c(cc1OC)CN([C@@H](C)Cc1cccc(C(F)(F)F)c1)CC2 23280879 ZKNMBUQQBPNZNS-AWEZNQCLSA-N 379.422 4.712 0 50 GJAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCCC[C@H]1c1ccc(F)cc1 92076877 DTVKNGSNKLJABP-FQEVSTJZSA-N 376.435 4.727 0 50 GJAA COC(=O)c1cccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)c1 170622191 KAMBZVBMIFMSMS-UHFFFAOYSA-N 376.364 4.622 0 50 GJAA COc1ccc2c(C)cc3nn(CN4CCC[C@H]5CCCC[C@H]54)c(=S)n3c2c1 229996131 VEAGFMGVFNJHKI-VQIMIIECSA-N 396.560 4.948 0 50 GJAA Cc1nccc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3cc(C)on3)c2)n1 299782713 DTJVOBWROTZJAP-HXUWFJFHSA-N 377.448 4.508 0 50 GJAA Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 442796112 FWUVJXRZTDKDIO-BEFAXECRSA-N 393.405 4.563 0 50 GJAA COc1cccc(-c2cc(CNC(=O)N3CCCCC[C@H]3c3ccco3)on2)c1 584899874 MIDRFSRAXQUYSY-FQEVSTJZSA-N 395.459 4.770 0 50 GJAA O=C(NC[C@@H]1OCCc2ccccc21)c1cc(-c2ccco2)nc2ccccc12 733116219 DYFKXCOGYPUPJZ-QHCPKHFHSA-N 384.435 4.539 0 50 GJAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC([C@H](O)c2cccs2)CC1 1506396261 QOZJQJFVVZTQJI-QFIPXVFZSA-N 393.508 4.707 0 50 GJAA Cc1ccc(-c2cc(C(=O)NCC3(c4ccc(C(C)(C)C)cc4)CC3)n[nH]2)o1 1875341689 CRVLNASRLGDMOM-UHFFFAOYSA-N 377.488 4.737 0 50 GJAA Cc1ccc(C(C)C)c(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 643513 MNRIHKRJSMHOJT-UHFFFAOYSA-N 375.877 4.754 0 50 GJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1Br 837250 NYOXVGIPFNUMKI-UHFFFAOYSA-N 382.279 4.502 0 50 GJAA CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc(OC)cc1)Nc1ccccc1-2 1211709 ZOQZFEYCPULKDH-HGZMWJMZSA-N 392.484 4.503 0 50 GJAA S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Nc2ccccc2)cc1 2841506 DXYZRMJFKRTOQH-UHFFFAOYSA-N 377.469 4.646 0 50 GJAA Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 5090915 AQXQEOSETSGSFZ-UHFFFAOYSA-N 395.480 4.632 0 50 GJAA COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1Cl 6302570 YMIHLKAEPKQFRK-UHFFFAOYSA-N 386.835 4.785 0 50 GJAA COc1cc(-c2csc3ccccc23)cc2c1OCCN(C(=O)C(C)C)C2 14988897 PXICRLRKYYOJRQ-UHFFFAOYSA-N 381.497 4.954 0 50 GJAA CCOc1ccc(Cc2nnc(S)n2-c2ccccc2C(F)(F)F)cc1 17077535 BMPJMSVYWYKHND-UHFFFAOYSA-N 379.407 4.564 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 42437768 NOGOREVPLIDFCL-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA COc1ccc(F)c(F)c1-c1c(-c2ccccc2)ncn1CC[C@H]1CCCN1C 65383757 HOEOGEKOAZIBPU-QGZVFWFLSA-N 397.469 4.988 0 50 GJAA Cc1ccccc1Cn1c(NC(=O)CCc2c(C)noc2C)nc2ccccc21 180813114 VIWCNWNZXOOHIQ-UHFFFAOYSA-N 388.471 4.569 0 50 GJAA CN(C)[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](OC(=O)C(c1ccccc1)c1ccccc1)(C3)C2 245253571 HXYCLZCFMFFDOM-APGUENIRSA-N 389.539 4.871 0 50 GJAA Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(-c3ccccn3)c2C)no1 329579008 WLUKFVWSVLPQRM-HXUWFJFHSA-N 376.460 4.506 0 50 GJAA COc1cc(CN(Cc2cc(CN3CCCCC3)cs2)C2CC2)ccc1O 824597580 GQERPUUODGMBSZ-UHFFFAOYSA-N 386.561 4.613 0 50 GJAA O=C(NCCC1CCC(c2ccccc2)CC1)N1CCC([C@@H]2CCCO2)CC1 1875335386 GHNKMWRVKMXLBW-IRSIHTCSSA-N 384.564 4.951 0 50 GJAA CC(C)[C@@H](C)Cc1nc(-c2ccc(N(C)C)nc2)nn1Cc1ccc(F)c(F)c1 1875348195 IVZSTRIJRRDMJG-HNNXBMFYSA-N 399.489 4.567 0 50 GJAA O=C(C1CC1)N1CCC[C@@H](c2nc(-c3ccoc3)nn2CCC2CCCCC2)C1 1875348515 UDFRWBQTHPSRRN-LJQANCHMSA-N 396.535 4.625 0 50 GJAA Fc1cccc(-c2nnc([C@H]3CC34CCN(c3nccc5occc35)CC4)o2)c1 2325737359 NELOMVVFTAJUIL-QGZVFWFLSA-N 390.418 4.791 0 50 GJAA O=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)Nc1ccc(F)cc1 625943 PTBOEFVVLIOGTN-UHFFFAOYSA-N 390.458 4.773 0 50 GJAA O=C(COc1ccccc1Br)Nc1ccc(Cl)c(Cl)c1 942883 JFSGHXDCQRBQHE-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA COc1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1OC 1041891 ZRCVXKFNEWGPCQ-UHFFFAOYSA-N 385.316 4.540 0 50 GJAA CCc1cc(Br)ccc1NC(=S)Nc1ccc(OC)cc1OC 1120378 QOHLXFAQHALRIT-UHFFFAOYSA-N 395.322 4.838 0 50 GJAA Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1152484 KSJVAFBNSCPSMT-UHFFFAOYSA-N 378.468 4.995 0 50 GJAA O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccco1 1158162 DONALKZZPAMZRV-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 1165046 WQDGHCOODMDFQK-HSZRJFAPSA-N 387.435 4.734 0 50 GJAA CC(C)CNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 1216168 JAUGEEAFWVPZQA-UHFFFAOYSA-N 386.495 4.843 0 50 GJAA O=C(Nc1nccs1)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 2463936 BQKDPGHUCAYHOX-UHFFFAOYSA-N 382.338 4.531 0 50 GJAA Cc1cccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccccc4)on3)c2C)c1 2795649 LXZYYBRRDHJTJB-UHFFFAOYSA-N 386.455 4.764 0 50 GJAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1Cl 4031471 VVHUHMLFWCCURM-UHFFFAOYSA-N 392.842 4.508 0 50 GJAA Clc1cccc(CN2CCC(n3c([C@@H]4CCCO4)nc4cccnc43)CC2)c1 12243907 KENHVOOPWVAKHZ-FQEVSTJZSA-N 396.922 4.773 0 50 GJAA O=C(O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 19926131 WNXZFOIQAKDEDS-WUKNDPDISA-N 380.447 4.821 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)c(C)n1 20606659 CCDFNZRIXBXVSZ-MLJPVRMGSA-N 392.543 4.828 0 50 GJAA C[C@H](c1ccccc1)c1cc2c(=O)n(Cc3nc4ccccc4[nH]3)cnc2s1 32561053 ODYQHBOPDBZYOW-CQSZACIVSA-N 386.480 4.534 0 50 GJAA Cc1ccc2nc(CN3CCc4onc(-c5ccc(Cl)cc5)c4C3)[nH]c2c1 67713063 CIWAOBGLDGXLML-UHFFFAOYSA-N 378.863 4.738 0 50 GJAA Cc1ccc(C2(c3noc(COc4cccc5cnoc45)n3)CCCC2)cc1 72133775 IPWOFPBLJOMDEQ-UHFFFAOYSA-N 375.428 4.958 0 50 GJAA Cc1cnn(C2CCCC2)c1NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 97474893 BYEFODQJWQWTNU-UHFFFAOYSA-N 377.492 4.984 0 50 GJAA C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)NCc1ccc([C@@H](C)O)cc1 377905999 NYBREAJYTPDBGJ-ZWKOTPCHSA-N 389.499 4.705 0 50 GJAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1 426510149 LOSAAZZCBYRQQO-OAQYLSRUSA-N 377.484 4.514 0 50 GJAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1conc1-c1ccccc1 952965326 RFDQXUKZLSNHOQ-LJQANCHMSA-N 378.428 4.542 0 50 GJAA C[C@H](CNC(=O)N1CCC(c2cccc3cnccc23)CC1)c1ccsc1 1875264041 BYCPWZVQXPEBRP-MRXNPFEDSA-N 379.529 4.989 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C(C)(C)C)C2 643966 VSPRRNUTXXTSGD-GFCCVEGCSA-N 375.490 4.921 0 50 GJAA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC[C@@H]2C)cc1 644174 UOEPXTBCYDKLIR-AWEZNQCLSA-N 386.879 4.616 0 50 GJAA Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 712748 BQLFOWLRZVWJEZ-UHFFFAOYSA-N 399.541 4.647 0 50 GJAA Cc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 728163 VRZIINSFBMSBQT-UHFFFAOYSA-N 376.026 4.804 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1 1015535 FZWIRCCRRKSIQA-ZPGVXSSASA-N 385.463 4.940 0 50 GJAA Cc1cccc(S[C@H](CC(=O)c2ccc(Br)cc2)C(=O)O)c1 1057755 XVMCTOTWOAZALL-MRXNPFEDSA-N 379.275 4.576 0 50 GJAA O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1158531 QNDGYPLCGUUYTL-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 1206185 GCKANNMTSRSJSJ-UHFFFAOYSA-N 390.464 4.989 0 50 GJAA Clc1cccc(-c2nnc3sc(-c4ccccc4Br)nn23)c1 4734900 OIFABBXMSRHYLS-UHFFFAOYSA-N 391.681 4.936 0 50 GJAA COc1ccc(/C=C2\CCCC3=C2NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 6404145 LWRQTWWJJNMEKW-PVGBUVFQSA-N 392.524 4.744 0 50 GJAA CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)C1CCCCC1 12202757 GPRDDMJZKPTNPH-UHFFFAOYSA-N 382.382 4.677 0 50 GJAA Cc1oc(-c2ccc(F)cc2)nc1CN1CCC([C@@H](O)c2cccs2)CC1 12439438 ARVXMRTXLDMDES-HXUWFJFHSA-N 386.492 4.796 0 50 GJAA CCc1nc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c(C)[nH]1 15078274 UJHJSHHWBXHPPQ-UHFFFAOYSA-N 388.943 4.565 0 50 GJAA CCNC(=O)c1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)s1 20541092 XVWRMPCNCNFTAM-FQEVSTJZSA-N 391.540 4.897 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@@H](CCc2ccccc2F)C1 71752155 ASSOEBDSZUQOQL-INIZCTEOSA-N 378.447 4.565 0 50 GJAA CC(C)c1ccc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cc1 91876922 FVDAZAYJJRLZPC-XMMPIXPASA-N 382.548 4.597 0 50 GJAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cccc2c(-c3ccccc3)ccnc12 100082109 BCTYQXILTCOHBZ-RBUKOAKNSA-N 388.854 4.924 0 50 GJAA Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC(c2ccncc2)CC1 192267190 MOTVMJHCPZUSFL-UHFFFAOYSA-N 399.466 4.812 0 50 GJAA C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 470192315 FYYQCWLIRQCDCJ-HXUWFJFHSA-N 399.538 4.838 0 50 GJAA Clc1ccc(-c2cc3nc[nH]c(=N[C@@H]4CC[C@H]5CNCC[C@H]5C4)c3s2)cc1 1875337397 YUVJCERLOKBWFY-YQQAZPJKSA-N 398.963 4.624 0 50 GJAA CC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 812302 PXCIPRHZCPWGKH-UHFFFAOYSA-N 376.890 4.883 0 50 GJAA COc1ccc2oc(=O)c(-c3csc(Nc4ccc(C(C)=O)cc4)n3)cc2c1 1184385 AJMVIZTUUMRDSY-UHFFFAOYSA-N 392.436 4.871 0 50 GJAA CC(=O)Nc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 2850482 YQIFMMNPIOQPSL-UHFFFAOYSA-N 387.650 4.623 0 50 GJAA C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)c2cccc3cccc1c23 3612626 BETSPDZGAGTDGB-GFCCVEGCSA-N 384.357 4.846 0 50 GJAA CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 3875139 IBQMHBGFMLHHLE-UHFFFAOYSA-N 395.540 4.552 0 50 GJAA biogenic,in-vitro Cc1cc(NC(=O)CSc2ccccc2)ccc1NC(=O)Cc1cccs1 4487592 QTPKZUJRZFBSRC-UHFFFAOYSA-N 396.537 4.969 0 50 GJAA Cc1ccccc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 8991257 MZFDCSZBVFPXNH-UHFFFAOYSA-N 391.862 4.622 0 50 GJAA COc1ccc(-c2noc(CN(C)C(=O)Nc3cccc4ccccc34)n2)cc1 9227083 RLVXJVUIEPCCRX-UHFFFAOYSA-N 388.427 4.562 0 50 GJAA O=C(CCc1ccccn1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 11664899 YYKGTFUWCUIEMV-VWLOTQADSA-N 399.469 4.809 0 50 GJAA CCOc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC 12474217 RVPSMWQNQIJFME-OAHLLOKOSA-N 383.467 4.578 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 14996264 GEVNNBAZGUVRKN-KRWDZBQOSA-N 395.503 4.601 0 50 GJAA COc1cc2c(cc1OC)CN([C@H](C)Cc1cccc(C(F)(F)F)c1)CC2 23280882 ZKNMBUQQBPNZNS-CQSZACIVSA-N 379.422 4.712 0 50 GJAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C(=O)O 27644848 FQUVPTVNRMUOPO-UPQKDGGNSA-N 391.552 4.694 0 50 GJAA in-vitro CCn1cc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3ccc(C)c(C)c3n2)cn1 63856673 DLDMMGKNCDYFNX-OAHLLOKOSA-N 376.504 4.607 0 50 GJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 67934699 FWKLCKJZVGHDKF-SFHVURJKSA-N 394.475 4.820 0 50 GJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 71575468 RRTSDXBIKARFRL-SFHVURJKSA-N 389.499 4.576 0 50 GJAA Cc1ccn2c(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cnc2c1 132503039 OSZILQFQXDJOEH-UHFFFAOYSA-N 397.544 4.502 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 194337696 TWIGTZZQQOVRAI-GOSISDBHSA-N 389.377 4.792 0 50 GJAA CSCC[C@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 263588008 NWMAPYDQJZGYLO-RBUKOAKNSA-N 384.549 4.562 0 50 GJAA Clc1ccc(NCC2(c3cccc(Br)c3)CCOCC2)nc1 463056597 QKKUBBRGWKFTFU-UHFFFAOYSA-N 381.701 4.658 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-c4ccccc4C)cc3)C1)CC2 1704337790 DMXNNLGHNVSWSX-SANMLTNESA-N 397.522 4.881 0 50 GJAA C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCC45CCC(CC4)C5(C)C)cn1c23 1875356485 LZKKMNPUFDVWGU-RSOQWMNZSA-N 396.506 4.594 0 50 GJAA CCCN1CCC[C@@]2(CCCN2C(=O)Nc2ccccc2-c2ccccc2)C1=O 2356138319 IYXRTFRQNXENOM-XMMPIXPASA-N 391.515 4.753 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 677428 NTJSGVFQTAEXER-UHFFFAOYSA-N 392.386 4.903 0 50 GJAA Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 687466 YXWPEHMWXISUGH-UHFFFAOYSA-N 389.274 4.783 0 50 GJAA CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 1022953 JMHHNIGZRMZBKH-QFIPXVFZSA-N 386.451 4.943 0 50 GJAA COc1ccc(/C=C(/C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2)cc1 1106958 NKNQKDQHBOSOFU-LKUDQCMESA-N 398.506 4.585 0 50 GJAA CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 2852609 CACZXDAIZDKPKU-GOSISDBHSA-N 396.712 4.995 0 50 GJAA O=C(COc1ccc2ccccc2c1Br)NCCCc1ccccc1 2862572 GAGOKSOLZGTDRP-UHFFFAOYSA-N 398.300 4.730 0 50 GJAA NC(=O)COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 4865829 LXRSLRMDOSCQJS-UHFFFAOYSA-N 382.847 4.609 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3nc(C)c[nH]3)c(-c3ccccc3)n2)c1 12446132 DOBQIDLPDILRLR-UHFFFAOYSA-N 385.515 4.820 0 50 GJAA CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 13331650 WZTWPORVJRGIJI-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA CCN(C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)c1ccccc1F 13520268 NMPZOURWDKOAAI-UHFFFAOYSA-N 380.444 4.857 0 50 GJAA OCC1(CCCc2ccccc2)CCN(Cc2nc3c(s2)CCCC3)CC1 14975787 SXMSPATTYQSUNT-UHFFFAOYSA-N 384.589 4.619 0 50 GJAA CC[C@H](C)N(Cc1ccc(C)cc1)Cc1c(C)n(C)n(-c2ccccc2)c1=O 55108880 YBTRLDLFFTWJMV-IBGZPJMESA-N 377.532 4.594 0 50 GJAA Nc1ncccc1CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67821316 YUVWUEIVTOMAPN-UHFFFAOYSA-N 382.467 4.544 0 50 GJAA Cc1ncc(C(=O)NCc2cc(Cl)cc3c(C)c(-c4ccccc4)[nH]c23)cn1 71752466 NPJICGBMXUPVGY-UHFFFAOYSA-N 390.874 4.825 0 50 GJAA O=C1NC2(CCN(Cc3ccccc3-c3ccco3)CC2)C[C@@H]1c1ccccc1 95374484 WYIJPVHFRGTZEW-JOCHJYFZSA-N 386.495 4.585 0 50 GJAA CCc1cccc(N(C#N)Cc2nnc(-c3cccc(Br)c3)o2)c1 156046632 DHXNJZWPFUXVQP-UHFFFAOYSA-N 383.249 4.549 0 50 GJAA CC(C)(C)CN(CC(F)(F)F)C(=O)c1cnc(Cl)c(Br)c1 253432233 XIDAKXFYWBTPCF-UHFFFAOYSA-N 387.627 4.548 0 50 GJAA O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[C@@H](c2cc3ccccc3[nH]2)C1 1875332309 VYTQPURZGYINCU-MRXNPFEDSA-N 390.874 4.841 0 50 GJAA CC(C)(C)CC[C@@H]1CCN(c2nnc([C@@H]3CC34CCOCC4)n2CC2CC2)C1 2325839839 GUJWFXRUJUNCMQ-MOPGFXCFSA-N 386.584 4.625 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1056405 FGWXPSADKKPZTH-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc12 1132503 YQSNJIYVZKJZJU-QHCPKHFHSA-N 388.854 4.604 0 50 GJAA Cc1[nH]c2ccc(Cl)cc2c1CCN1C(=O)OC2(CCCCC2)[C@]1(C)O 1422390 QLLBAQSJHFWTCG-IBGZPJMESA-N 376.884 4.536 0 50 GJAA COc1ccccc1/C=C/CN1CCN(c2cccc(C(F)(F)F)c2)CC1 3682048 KQUFEOVXTXCHFF-FNORWQNLSA-N 376.422 4.549 0 50 GJAA COc1cc(C=O)ccc1OCCOCCOc1ccc(C)cc1C(C)(C)C 4702051 GKKZUGFAIYEABS-UHFFFAOYSA-N 386.488 4.588 0 50 GJAA CC(C)Oc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 7389833 HXSUKHKHJSEMQS-UHFFFAOYSA-N 387.439 4.607 0 50 GJAA Cc1cc(C(=O)NCc2ccccc2Cl)c2c(C)nn(-c3ccccc3)c2n1 8598943 VTHABIMIMZBULV-UHFFFAOYSA-N 390.874 4.621 0 50 GJAA CC(C)c1nc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)ccc2o1 11839302 HVWMANQHPVTZMU-OAHLLOKOSA-N 382.485 4.748 0 50 GJAA CSCCCN1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12299967 XKNVNMPUVOGMHR-OAHLLOKOSA-N 388.499 4.889 0 50 GJAA CSc1ccccc1OCc1cc(C(=O)NC[C@@H]2CC23CCCCC3)no1 12466075 GIOSSMMQXHZMDO-HNNXBMFYSA-N 386.517 4.676 0 50 GJAA CCCn1ncc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c1C 12590980 CRKZXFJXYDUYBW-UHFFFAOYSA-N 396.623 4.687 0 50 GJAA CCc1c(C)sc2nc(S)n(-c3cc(Cl)c(O)c(Cl)c3)c(=O)c12 17079050 BRWKOCCUWHMMJJ-UHFFFAOYSA-N 387.313 4.619 0 50 GJAA Cc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 67621014 BMKWXTOUZXMZSO-UHFFFAOYSA-N 383.249 4.543 0 50 GJAA COc1ccc2ncc(-c3cc(NCc4ccccn4)nc4[nH]ccc34)cc2c1 72422158 INYHTPMSMNUEQN-UHFFFAOYSA-N 381.439 4.794 0 50 GJAA O=C1CCCc2ccc(NCc3nnc(-c4cccc(Br)c4)o3)cc21 134081767 OGRZXYDJCXXXOJ-UHFFFAOYSA-N 398.260 4.630 0 50 GJAA CCc1ccc([C@@H]2CCCCN2Cc2nnc(C(=O)Nc3ccccc3)s2)o1 182504057 BAGFABKVEAPVMN-KRWDZBQOSA-N 396.516 4.673 0 50 GJAA COc1cc([C@H](C)NC2CCN(CCC(F)(F)F)CC2)ccc1OC(C)C 463117073 SRMGNGXYBDZIMD-HNNXBMFYSA-N 388.474 4.550 0 50 GJAA CN(C[C@H]1CCCCN1C)C(=O)c1cccc(-c2ccc3scnc3c2)c1 584890164 JSJUKRWYQIIHOI-LJQANCHMSA-N 379.529 4.520 0 50 GJAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)n1 952987712 JEUIVJACHAVYJA-FQEVSTJZSA-N 378.476 4.504 0 50 GJAA c1cc2cc(c1)OCCN(Cc1cscn1)CCCCN1CCCC[C@@H]1CC2 1857702770 CECYMBLYHWRPBE-JOCHJYFZSA-N 399.604 4.605 0 50 GJAA O=C(CSc1nc2ccccc2s1)Nc1ccccc1Br 811265 HBKPXJMIDFBPKR-UHFFFAOYSA-N 379.304 4.790 0 50 GJAA CN1[C@H](CC(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C 813346 YPVMVWFHOJLRSK-GOSISDBHSA-N 387.321 4.786 0 50 GJAA COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 942784 VKOAAJSDVIPIJD-UHFFFAOYSA-N 395.842 4.597 0 50 GJAA COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC 1147865 MGKGEERTQBKSHI-UHFFFAOYSA-N 388.423 4.693 0 50 GJAA CC1(C)CC(=O)c2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc2C1 2543573 SLKWYZJFTFLCDQ-UHFFFAOYSA-N 399.299 4.623 0 50 GJAA CCCC(=O)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 2701990 SAOOBNDBUGRMBS-NSHDSACASA-N 379.498 4.985 0 50 GJAA O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 4262084 IPSABLMEYFYEHS-QHCPKHFHSA-N 384.479 4.521 0 50 GJAA O=C(OCc1nnc(-c2ccccc2)o1)C1c2ccccc2Oc2ccccc21 4868907 OBTPDCAHCPYPJN-UHFFFAOYSA-N 384.391 4.718 0 50 GJAA Cc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1cccc(C)c1C 4869799 XAPTYYGXWPEZGN-UHFFFAOYSA-N 388.467 4.882 0 50 GJAA O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(F)c(Cl)c1 5038544 WEGRKPRCRMEADB-UHFFFAOYSA-N 385.716 4.905 0 50 GJAA Cc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12 13476548 ICKWPPYMDARCKJ-UHFFFAOYSA-N 398.506 4.666 0 50 GJAA in-vitro CCn1c(COc2ccc(OC)cc2)nnc1SCc1cccc(Cl)c1 17079569 FRCKMDLKROKBTQ-UHFFFAOYSA-N 389.908 4.831 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1Cl 35511458 LDCPLNGMNIDDJW-OAHLLOKOSA-N 393.871 4.838 0 50 GJAA Cc1c(NC(=O)N2CCCCC[C@H]2c2ccco2)cccc1-c1nncn1C 96152777 HETVNVHNZQBFOV-SFHVURJKSA-N 379.464 4.533 0 50 GJAA Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@@H]2C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]23)c1 239305881 GDRAUJABWXLFGX-MBOWVQHQSA-N 379.887 4.886 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 257356429 HZUUHCXBSGFHDC-NSQMDGPXSA-N 376.537 4.750 0 50 GJAA CC(C)n1ccc2cc(C(=O)NCc3cc(Cl)cc4c3OCOC4)ccc21 952964074 QQJGTRXHIHGIKL-UHFFFAOYSA-N 384.863 4.672 0 50 GJAA COc1ccc(NC2(C(=O)N(C)[C@@H](C)c3ccccc3OC)CCCC2)cc1 1506396782 JFTRWLWZAWPNMK-KRWDZBQOSA-N 382.504 4.648 0 50 GJAA Cn1cc([C@@H]2CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)c2ccccc21 1875261458 KRGBZBLWSHMNPP-CQSZACIVSA-N 377.875 4.943 0 50 GJAA Cc1csc2cc(C(=O)NCC[C@@H](O)c3ccc(Cl)c(Cl)c3)[nH]c12 2325852762 RRTCJTFEGQAUHD-CQSZACIVSA-N 383.300 4.698 0 50 GJAA CN(c1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1)C1CC1 2325852922 YERKALVKKIMUDV-UHFFFAOYSA-N 392.480 4.927 0 50 GJAA CC(C)N1CCC[C@@]2(CCCN2C(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 2356168760 MKMOYGHNIGQFED-XMMPIXPASA-N 391.515 4.751 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(CC(C)C)s1 947778 XLOLKDANBLNHKH-UHFFFAOYSA-N 376.869 4.606 0 50 GJAA COc1ccc(NC(=O)NC2c3ccccc3Oc3ccccc32)cc1OC 1088835 NLTIABUNOSLYPY-UHFFFAOYSA-N 376.412 4.721 0 50 GJAA CCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1OCC 2844488 QRVSRJQXEWNNOH-UHFFFAOYSA-N 389.249 4.964 0 50 GJAA CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1(C)C 4686563 TVEOZJWCZLSVEY-YADHBBJMSA-N 390.527 4.836 0 50 GJAA Cc1cc(C)cc(C[C@H](CC(=O)O)C(=O)Nc2ccccc2C(F)(F)F)c1 4755718 DQSHIIYYJQHIQM-OAHLLOKOSA-N 379.378 4.594 0 50 GJAA O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(F)c1 8583892 ZYIOFMNUWDTTNG-GOSISDBHSA-N 398.434 4.752 0 50 GJAA CC(C)[C@H](O)c1ccc2c(c1)CN(C(=O)c1cccc3ccccc13)CCO2 11882251 XIESXMVCJNAZOI-QHCPKHFHSA-N 375.468 4.564 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2ccsc2)C1 14971322 PIBNODVJOREMJW-SFHVURJKSA-N 384.574 4.549 0 50 GJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 17080661 VIGRJFNSOYZCGW-SOIKWTOOSA-N 394.515 4.647 0 50 GJAA CCOc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C3CC3)nc21 20603238 SHDLZDFWWBHKAM-UHFFFAOYSA-N 389.427 4.657 0 50 GJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3nccc(N(C)C)n3)cc12 71440354 AYUNSHXBVZZSLP-UHFFFAOYSA-N 375.451 4.751 0 50 GJAA COc1cccc([C@H]2CCCN2C(=O)c2csc(Cc3ccccc3)n2)c1 77355290 RQVIEJFCEDNLMR-HXUWFJFHSA-N 378.497 4.720 0 50 GJAA Cc1cccc2cc(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)n(C)c12 95382318 QYSMTRCXLGUFLK-SFHVURJKSA-N 386.455 4.514 0 50 GJAA CC(C)c1noc([C@@H]2CCCN2C(=O)Nc2cccc(-c3cscn3)c2)n1 96138913 BKUDQTDMEKMCEY-INIZCTEOSA-N 383.477 4.686 0 50 GJAA O=C(Nc1nc(-c2ccccc2)cs1)c1c(F)cccc1Br 175213486 QUEYFAZTRHPFQK-UHFFFAOYSA-N 377.238 4.964 0 50 GJAA C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 220607676 MSORXWUMWOFHDU-SFHVURJKSA-N 382.467 4.768 0 50 GJAA Cc1nc(-c2cccc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)c2)sc1C 299789804 AAIMDSVYMFUVNV-LJQANCHMSA-N 378.497 4.503 0 50 GJAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)cc(C(F)(F)F)c1 446161835 LEDAGZFGWOVQAL-UHFFFAOYSA-N 396.315 4.611 0 50 GJAA CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 643877 IMXSJZKJLVRUIX-GFCCVEGCSA-N 390.574 4.963 0 50 GJAA O=C(CCc1ccccc1)NC(=S)Nc1ccc(Nc2ccccc2)cc1 675640 RODARYWYNMWFNH-UHFFFAOYSA-N 375.497 4.876 0 50 GJAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(Cl)c1 949595 CZQKDEQZZGMNRL-UHFFFAOYSA-N 384.819 4.595 0 50 GJAA O=C(Nc1ccccc1N1CCCC1)c1cc(Br)ccc1Cl 1132759 DPONDEKRYSTTTL-UHFFFAOYSA-N 379.685 4.955 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 1154421 OTCGOCHNYDRILY-NRFANRHFSA-N 377.488 4.693 0 50 GJAA CC[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 1217473 RHYLOQFANKFQPP-SECBINFHSA-N 397.327 4.921 0 50 GJAA CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Br)cc1 2358100 GEVDZUJGTLWDTI-HNNXBMFYSA-N 390.306 4.835 0 50 GJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1c(F)c(F)c(F)c(F)c1F 2845754 KZJHDJKAEBIOGU-UHFFFAOYSA-N 384.348 4.620 0 50 GJAA Cc1cccc2c(C(=O)Nc3nncs3)cc(-c3ccccc3Cl)nc12 2867776 QPKISMZCYBYODY-UHFFFAOYSA-N 380.860 4.967 0 50 GJAA COc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3611992 GGJTWUAZBRROEN-UHFFFAOYSA-N 377.396 4.621 0 50 GJAA CCOc1ccc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OCC 4126422 JVNMHOOOQPYSNK-QHCPKHFHSA-N 385.504 4.517 0 50 GJAA biogenic COc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1OC 5031609 BGLVBUIRHGENRI-UHFFFAOYSA-N 385.467 4.969 0 50 GJAA CSc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 22031971 VQGMMBSQKWAIIZ-UHFFFAOYSA-N 380.479 4.745 0 50 GJAA C[C@H](N[C@H](C)Cc1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 96028138 XYALBGQTXQJAKV-RNHFSVANSA-N 375.512 4.908 0 50 GJAA COc1ccc2cc(C(=O)NCCCSCc3ccccc3C)n(C)c2c1 97528044 HCPXSQALGOQYPZ-UHFFFAOYSA-N 382.529 4.549 0 50 GJAA O=C(Nc1cccc(OCCF)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 122735178 YIUQYJAWAJVBDT-UHFFFAOYSA-N 379.435 4.837 0 50 GJAA C[C@@H](NCCc1ccccc1OC(F)F)c1ccc2c(c1)COC(C)(C)O2 225412367 HXJNQSMBVBXYDB-CQSZACIVSA-N 377.431 4.826 0 50 GJAA C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 229750284 MTLCJTGEUVTNQR-BFUOFWGJSA-N 390.405 4.719 0 50 GJAA COc1cccc([C@H]2CCCCN2Cc2ccc(OC)c(Cn3cccn3)c2)c1 670462904 JXHYGMWRDGBZLN-HSZRJFAPSA-N 391.515 4.676 0 50 GJAA Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c2[nH]ncc12 746002669 GDHXBYWJQYNACZ-OAQYLSRUSA-N 397.434 4.578 0 50 GJAA C[C@@H](CN1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1)c1ccccc1 2100480670 OGYIZZAMAWFMFX-KRWDZBQOSA-N 379.548 4.563 0 50 GJAA Cc1cccc(C)c1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 630026 XHSRYWPZUVWILK-BWWMBTDCSA-N 379.459 4.700 0 50 GJAA O=C1C[C@@H](c2ccc(I)cc2)c2ccc3ccccc3c2N1 728202 KZCYLCQHPYCJIY-KRWDZBQOSA-N 399.231 4.919 0 50 GJAA O=C1NCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc21 843953 OIBXIYPEWLZWDB-UHFFFAOYSA-N 386.842 4.789 0 50 GJAA C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OCc1ccccc1 951370 CHJDGGGZIRDJNJ-ZDUSSCGKSA-N 384.526 4.794 0 50 GJAA CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)C(C)C)ccc2c1=O 1131275 MMBTUPNFFGVZQN-UHFFFAOYSA-N 382.412 4.854 0 50 GJAA biogenic CCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 1167010 NDSZOFDZKCKQEX-UHFFFAOYSA-N 382.423 4.981 0 50 GJAA CCCCCCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O 1886794 HQCCPLGRISORFH-UHFFFAOYSA-N 378.472 4.832 0 50 GJAA CCCCc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 2978472 NYUJPOUTFYTJMJ-UHFFFAOYSA-N 391.334 4.919 0 50 GJAA O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1cccc(Cl)c1 6057818 BXBCDLIYDFAVQH-UHFFFAOYSA-N 378.230 4.639 0 50 GJAA Cc1cnccc1CN(C)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1 12309058 ONMHYZXHABKDOG-JOCHJYFZSA-N 394.902 4.930 0 50 GJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1C 14964107 HCDYMNOYVMRZBI-OAQYLSRUSA-N 379.500 4.610 0 50 GJAA CCOc1ccc(N[C@H](c2ccccc2)c2nnnn2-c2c(C)cccc2C)cc1 22203780 SHVIXURVUZHCIS-JOCHJYFZSA-N 399.498 4.879 0 50 GJAA O=C(Nc1ccccc1N1CCOC1=O)c1ccc(-c2ccccc2Cl)o1 119764961 NVXJDKWEDSXJBT-UHFFFAOYSA-N 382.803 4.809 0 50 GJAA CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 169754581 MAYJYGGQELZEGM-SFHVURJKSA-N 397.862 4.766 0 50 GJAA Fc1cc(CNCc2nc(-c3ccccc3F)cs2)ccc1OC(F)F 225637028 MCGNSTFWGSGWFW-UHFFFAOYSA-N 382.382 4.980 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 245226503 ZPRFWGVOJIMMSJ-HAGYDGCBSA-N 381.431 4.657 0 50 GJAA COc1ccc([C@@H](C(C)C)N2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)cc1 252537457 LFNZFQWJEJADRW-HXUWFJFHSA-N 376.460 4.531 0 50 GJAA CO[C@@H]1Cc2ccc(NC(=O)CCCOc3cccc4ccccc34)cc2C1 784234118 AVMVIOCJBDMSNN-OAQYLSRUSA-N 375.468 4.751 0 50 GJAA O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(F)c(C(F)(F)F)cc1F 804284897 AWTZNORUGNEAKF-UHFFFAOYSA-N 385.336 4.621 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2ccc3scnc3c2)cn1 824827549 IIQUXXFUDOCCDM-UHFFFAOYSA-N 377.425 4.745 0 50 GJAA CC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C 893519961 PHXCIRBMDJPOKI-UHFFFAOYSA-N 383.835 4.823 0 50 GJAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(OC)cc2)cc1 952991501 SVSRUZXBVORGOR-IBGZPJMESA-N 383.488 4.909 0 50 GJAA O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@H](Cc2ccc(F)cc2)C1 1456519770 SQWUUMKLGWXNSP-QGZVFWFLSA-N 394.421 4.857 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@@H](OCc3cccnc3)C2)s1 1506414735 RMTPXWTZAKFVHZ-LJQANCHMSA-N 379.529 4.695 0 50 GJAA O=C(Cc1ccccc1)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 832360 JLIYFMFCJPPLLS-OAHLLOKOSA-N 393.097 4.774 0 50 GJAA COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1ccco1 917704 MDTKUXMNGMPETR-UHFFFAOYSA-N 394.427 4.580 0 50 GJAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Br)c(C)n1 1110900 DPSCZMJJUUOCNX-UHFFFAOYSA-N 390.064 4.720 0 50 GJAA O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2c1CCCC2 2976527 BLDKKSUFHPCNAW-UHFFFAOYSA-N 396.311 4.946 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(c3ncccc3Cl)C2)c(C)c1 15071825 HYDZYMGHCXIWPK-MRXNPFEDSA-N 387.911 4.687 0 50 GJAA COc1ccc(OC)c(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 19359672 VYPLEUZLVCHMCD-UHFFFAOYSA-N 394.559 4.548 0 50 GJAA Cc1nc(-c2cccc(N3CCC(NCc4ccncc4C)CC3)c2)cs1 23214350 WHVKALMQRGMBLN-UHFFFAOYSA-N 378.545 4.581 0 50 GJAA CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 33270377 NKMSEIZJSFEBBO-SFHVURJKSA-N 376.522 4.621 0 50 GJAA CN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1cccc2cnccc12 67641898 AWIURTUUTGDFKQ-UHFFFAOYSA-N 379.467 4.577 0 50 GJAA O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccncc1Cl 170646508 RWRMCWPQMVMVFN-NRFANRHFSA-N 378.859 4.579 0 50 GJAA Cc1cccc(-c2ccc(CN3CCCn4nc([C@H](O)C5CC5)cc4C3)cc2)c1 219864508 PEKVGBZOOLOKIE-RUZDIDTESA-N 387.527 4.708 0 50 GJAA O=C(NCc1cccc(CN2CCCC2)c1)[C@@H](c1ccccc1)C1CCCC1 223598068 YJFCKYYGQRCDPI-DEOSSOPVSA-N 376.544 4.873 0 50 GJAA COc1ccc2nc(NC(=O)c3ccc([C@H](N)c4ccccc4)cc3)sc2c1 230509593 BHOBUXPHKZSABC-HXUWFJFHSA-N 389.480 4.605 0 50 GJAA in-vitro Cc1ccccc1-n1nccc1NC(=O)c1c(F)cc(C(F)(F)F)cc1F 463811432 MYYBWYUFYLJKGN-UHFFFAOYSA-N 381.304 4.730 0 50 GJAA O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 1068961 ABLOVDMMKCRDNE-UHFFFAOYSA-N 388.536 4.941 0 50 GJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 1116140 YJHROOQDVLOIPY-CYBMUJFWSA-N 379.287 5.000 0 50 GJAA CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc(F)cc2)cc1 1125256 OIFLEDQBHIIPQZ-RTWAWAEBSA-N 383.463 4.876 0 50 GJAA CCc1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(Br)c1 1144779 RQHMZVJYVMKJOB-UHFFFAOYSA-N 398.684 4.691 0 50 GJAA CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 2062736 WFQZNTCCFZFARB-UHFFFAOYSA-N 391.261 4.668 0 50 GJAA CCN(CC)CCn1c(NC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 4005683 SLANZJWAHVOZFP-UHFFFAOYSA-N 394.563 4.533 0 50 GJAA COc1cccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)c1 8844037 WCHPHIVBXZPEQI-UHFFFAOYSA-N 397.434 4.777 0 50 GJAA COc1ccc(CC2(CO)CCN(Cc3cc4ccccc4s3)CC2)cc1 11813807 CUPICAXGNRUUCS-UHFFFAOYSA-N 381.541 4.727 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 20905924 NGLBSWQDFOVDGS-NRFANRHFSA-N 397.526 4.950 0 50 GJAA O[C@@H](Cn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1)c1cccnc1 65371423 TZCMMPHFGDIUEI-YYVWFHOOSA-N 385.442 4.988 0 50 GJAA O=C(O)c1ccc(OCCCCCCCCOc2ccc(C(=O)O)cc2)cc1 71621654 GYWGAJIWZHWZLW-UHFFFAOYSA-N 386.444 4.881 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71754735 AIRRGXKFMUKZLQ-MRXNPFEDSA-N 395.453 4.840 0 50 GJAA C[C@@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101886534 UVNVIINRUYTRNB-DHJMFYJESA-N 379.843 4.834 0 50 GJAA O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H](c1ccccc1F)C1CCCC1 132253278 GNAZCWYMJOMEMO-HXUWFJFHSA-N 397.450 4.835 0 50 GJAA C[C@@H](NCc1c[nH]nc1-c1ccccc1F)c1nc(-c2ccncc2)cs1 152216805 COLNMGQEGQKJRH-CYBMUJFWSA-N 379.464 4.585 0 50 GJAA Nc1nc(-c2ccccc2)c2cc3c(nn12)C[C@@H](c1cccc(Cl)c1)CC3=O 169681371 OTEIHVQLIWDEMC-OAHLLOKOSA-N 388.858 4.545 0 50 GJAA CCC[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(F)cc1 227154643 FGIOBGPHDJJGJC-AWEZNQCLSA-N 387.838 4.899 0 50 GJAA Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 252020885 YHMKCBDMHLARDL-QHAWAJNXSA-N 396.531 4.888 0 50 GJAA CCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccc(F)cc2Cl)c1 584884678 WKCCMGOFCAPGJM-CYBMUJFWSA-N 386.858 4.639 0 50 GJAA CC(=O)c1ccc(OC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)cc1 1875325010 FZOQGEGRXNLJCC-LJQANCHMSA-N 378.424 4.500 0 50 GJAA Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CO)[nH]c2cc(Cl)cc(Cl)c12 1875343532 MJDZLZDNQUHFGY-LBPRGKRZSA-N 391.298 4.806 0 50 GJAA CC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 1057064 ZGDRUKVBOWRELE-UHFFFAOYSA-N 378.291 4.524 0 50 GJAA COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 1107300 LXDSXVWDPTVORI-DHZHZOJOSA-N 375.877 4.719 0 50 GJAA O=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1 2735078 HCXDMPQALHNSEM-UHFFFAOYSA-N 391.905 4.501 0 50 GJAA Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O 4393963 VRDJTYBMWYXACS-UHFFFAOYSA-N 384.888 4.652 0 50 GJAA Cc1ccc(C(=O)N2CCC(n3c([C@@H]4CCCO4)nc4ccccc43)CC2)s1 14995725 ZHNXOZQCBQUULT-IBGZPJMESA-N 395.528 4.735 0 50 GJAA CCc1cc2c3c(c1)[C@@]1(NCCc4c1[nH]c1ccccc41)C(=O)N3C(C)(C)C[C@@H]2C 19890849 HEHNRBQRNGNKME-HAWMADMCSA-N 399.538 4.752 0 50 GJAA biogenic CCC(=O)N(CCOC)Cc1cc2ccc(OC)cc2nc1-c1cccc(C)c1 20863990 WNKUAQNQPHPJIM-UHFFFAOYSA-N 392.499 4.604 0 50 GJAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@@H]3c1cccc(Oc2ccccc2)c1 65394304 CBGICWLTQQKCTB-HXUWFJFHSA-N 383.451 4.587 0 50 GJAA Clc1ccc([C@@H]2CN(Cc3cc(-c4ccccn4)no3)CCO2)cc1Cl 71575216 JJSPFYLTKVJKAG-IBGZPJMESA-N 390.270 4.617 0 50 GJAA CC[C@@H]1CN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 72411687 KEMWOKLUGFSQGX-JOCHJYFZSA-N 379.479 4.598 0 50 GJAA CN[C@H](c1ccc(C(F)(F)F)cc1)[C@H](NC)c1ccc(C(F)(F)F)cc1 139616254 QQPBPDDAIKYJNS-HZPDHXFCSA-N 376.344 4.945 0 50 GJAA CN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1cccc(Br)c1 167934833 OOAOBUFTHJCSHJ-MRXNPFEDSA-N 389.120 4.921 0 50 GJAA CCN(CC)C(=O)c1ccc(NCc2cnn(-c3ccc(Cl)cc3)c2)cc1 170615589 BUYWRKAAFTUPBD-UHFFFAOYSA-N 382.895 4.620 0 50 GJAA COc1ccc(-c2ccc(C)c(NC(=O)c3ccncc3OC(C)C)c2)cn1 2325702496 YAVOTYQHEOAQCE-UHFFFAOYSA-N 377.444 4.500 0 50 GJAA C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccc(-n2ccnc2)cc1 2325706443 SKXXBCFUFPBNEO-OAHLLOKOSA-N 380.879 4.575 0 50 GJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1 1173631 QAYWRGBAKOBVFM-UHFFFAOYSA-N 390.508 4.852 0 50 GJAA aggregator COc1ccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 1183626 YZHGATSAZCKJOS-UHFFFAOYSA-N 398.842 4.596 0 50 GJAA O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccc1Br 2304298 ANVZGGCJHDGLLI-UHFFFAOYSA-N 377.241 4.815 0 50 GJAA CCOC(=O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 4653378 UQAPDJQRANMMJD-NAVXVDNBSA-N 389.923 4.667 0 50 GJAA COc1ccc(N[C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 11817512 CTVAEPIHLBWWKD-HNNXBMFYSA-N 393.409 4.822 0 50 GJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(CC=C(C)C)C3)cc1OC 12122546 QZAQKXXKHNKPIO-UHFFFAOYSA-N 383.488 4.540 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 18250123 ZVURCOQESIYDHP-FQEVSTJZSA-N 393.556 4.724 0 50 GJAA COc1c(F)cccc1C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 71746224 HMJMGDPLMDVACZ-HNNXBMFYSA-N 377.406 4.598 0 50 GJAA O=C(O)C1CC(c2ccc(OCc3nc(-c4cccc(Cl)c4)no3)cc2)C1 170091412 BVCUKNRYFHITJD-UHFFFAOYSA-N 384.819 4.547 0 50 GJAA CC(C)(C)c1ncc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cn1 170640194 RDQBYPIRQRLHNY-UHFFFAOYSA-N 377.410 4.853 0 50 GJAA O=C(O)CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 229196605 CPZAAQIZPWFUCI-MXRWMUJRSA-N 388.467 4.674 0 50 GJAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]2C1 239038743 DVKDIXUNHPLEDU-XGRCMKMKSA-N 391.511 5.702 0 50 GJAA CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 239402538 QTRIGFJYNKGEIO-XPGKHFPBSA-N 389.514 5.761 0 50 GJAA O=C(CCn1ccc2ccccc21)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253410341 NFLOOEZCGAFMFT-DEOSSOPVSA-N 394.478 4.814 0 50 GJAA CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 253619003 GVIBMJZVMHMBKI-ZORPKWTQSA-N 384.516 4.733 0 50 GJAA Cc1nn(C(C)C)cc1C(=O)Nc1cccc([C@@H](C)Sc2nccn2C)c1 2325802977 IFIFHOSQUJXHNR-OAHLLOKOSA-N 383.521 4.612 0 50 GJAA CCc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C(=O)OC(C)C)cc1 668935 DSMWNMWUKUDDGO-QGZVFWFLSA-N 387.501 4.660 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 679612 OLAKOPSVOCXJLA-UHFFFAOYSA-N 395.684 4.949 0 50 GJAA O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1 837533 DOPBWKJRSRCVAB-UHFFFAOYSA-N 380.256 4.774 0 50 GJAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)C 848473 MGSMZVJNONDGLN-UHFFFAOYSA-N 396.800 4.515 0 50 GJAA COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1C(C)C 1139766 AZIQHDHJGGWCKJ-UYRXBGFRSA-N 380.513 4.731 0 50 GJAA COc1cc(OC)c(NC(=O)OCCOc2cc(C)c(C)c(C)c2)cc1Cl 2173808 JAEPCRPZSVKVRR-UHFFFAOYSA-N 393.867 4.910 0 50 GJAA COC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 4703253 ZFZJMVMQWCKNTQ-UHFFFAOYSA-N 384.284 4.652 0 50 GJAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 4834373 JMIGQAQGROKGBZ-NSHDSACASA-N 398.684 4.826 0 50 GJAA CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1nccn1C 11820194 XSNGQIBWVMYWRJ-UHFFFAOYSA-N 377.536 4.500 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 64800731 QXDBQTFTUSHZAM-UHFFFAOYSA-N 375.476 4.830 0 50 GJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95496751 FJUBETPPFOJTPD-KRWDZBQOSA-N 386.565 4.591 0 50 GJAA O=C1[C@H](c2ccccc2)c2ccccc2N1Nc1ccc(Br)cc1 100359283 LISWPIPYZJZIIA-LJQANCHMSA-N 379.257 4.955 0 50 GJAA Cc1ccc(C)c(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)c1 100658343 MIGULWCKVZTZDX-UHFFFAOYSA-N 378.472 4.622 0 50 GJAA O=C1C[C@@H](Cn2ccnc2-c2ccc3cccc(Cl)c3n2)CN1C1CCCC1 1857690234 XOCKATAFNDODIY-HNNXBMFYSA-N 394.906 4.543 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@H](c2ccco2)Nc2ccccc2-3)cc1 683322 HFHPROZOMGSVJC-LJQANCHMSA-N 388.452 4.927 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CC[C@H](C)C2 715716 UAZVEPLHXAFYAZ-JTQLQIEISA-N 379.428 4.580 0 50 GJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1N1CCOCC1 5027976 CUTBNHBFAYYNCA-UHFFFAOYSA-N 388.939 4.722 0 50 GJAA COc1ccc(N[C@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)cc1 12304545 IDFYCVBXVHDPGY-KRWDZBQOSA-N 383.517 4.797 0 50 GJAA Cc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)s1 12477792 ZPNCAVUIJDBOGL-NRFANRHFSA-N 376.610 4.692 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc4ccccc4o3)C2)cc1OC 14979342 PBTKZXAJBUGOMB-GOSISDBHSA-N 379.456 4.545 0 50 GJAA CCOc1cc(CN2CCN(Cc3cccc4ccccc34)CC2)ccc1OC 19359459 OBCUMUOYZNHACF-UHFFFAOYSA-N 390.527 4.565 0 50 GJAA Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 20166600 NERCFTGVSGFCKL-UHFFFAOYSA-N 384.523 4.851 0 50 GJAA CC[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1nc(C(F)(F)F)cs1 174861656 MHEXKKYDPADZJP-LLVKDONJSA-N 381.379 4.698 0 50 GJAA c1ccc2c(c1)C[C@@H]1OC(C3(C4=N[C@@H]5c6ccccc6C[C@@H]5O4)CCCC3)=N[C@H]21 209712184 IUZHBHBWSAWDRX-FNAHDJPLSA-N 384.479 4.736 0 50 GJAA COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 225496334 QKSOBSGVVPKBBM-MRXNPFEDSA-N 377.444 4.573 0 50 GJAA O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1Oc1ccccc1 1875336688 JXKNYJJVUQXPJB-UHFFFAOYSA-N 398.462 4.957 0 50 GJAA Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1 633929 IRCGBXNMCPLAFL-UHFFFAOYSA-N 378.906 4.542 0 50 GJAA CC[C@@]1(C)Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 1068215 PEXQWFALWLFQCF-FQEVSTJZSA-N 385.558 4.850 0 50 GJAA CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 1125272 JEQHNEQDCAVHHO-UHFFFAOYSA-N 380.517 4.567 0 50 GJAA COc1ccc(/C=C(/C(=O)Nc2ccc(OC)cc2OC)c2ccccc2)cc1 1145889 ZCDIROGTCPRWCI-RCCKNPSSSA-N 389.451 4.892 0 50 GJAA CC(C)(c1ccccc1)c1ccc(OCCn2cnc3ccccc3c2=O)cc1 1160369 FCICHPDZGDJMPU-UHFFFAOYSA-N 384.479 4.801 0 50 GJAA Fc1ccc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1F 2806595 ZAKFECQRFSYNNR-UHFFFAOYSA-N 378.835 4.672 0 50 GJAA CCC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cc1 3105252 QGVZZGZTWKXUDV-UHFFFAOYSA-N 387.435 4.623 0 50 GJAA Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 4688072 NCSHZXNGQYSKLR-UNOMPAQXSA-N 375.453 4.730 0 50 GJAA in-vitro Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 11753550 AVRJCDQEFCLXRB-LJQANCHMSA-N 385.939 4.819 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCC(N2CCCC2)CC1 15068074 RVSIZOPNYSEJKE-QFIPXVFZSA-N 396.962 4.949 0 50 GJAA Cc1nn(Cc2ccccc2Cl)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 20603912 KLQKDNKRHUDAGV-UHFFFAOYSA-N 387.821 4.780 0 50 GJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccccc1O 67692767 FLKTZXBIGCCXMV-UHFFFAOYSA-N 388.345 4.528 0 50 GJAA Cc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1-c1ccc(F)cc1 151833929 LZHVJKDMKZMSLN-NSHDSACASA-N 396.443 4.834 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccccc1 193883409 ZVSMVHGRSNVTGT-UHFFFAOYSA-N 398.462 4.574 0 50 GJAA FC(F)(F)c1cnc(N(CCc2ccccn2)Cc2cccnc2)c(Cl)c1 225479298 MXDCPRACULHQLM-UHFFFAOYSA-N 392.812 4.793 0 50 GJAA O=C(c1cc(O)nc2cc(F)ccc12)N1C[C@@H](c2ccccc2)c2ccccc21 436276332 SKQWUZCYFDRBCX-FQEVSTJZSA-N 384.410 4.872 0 50 GJAA C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 741658444 YNBRYQXUQILBHV-ILBGXUMGSA-N 379.463 4.757 0 50 GJAA COc1ccc(Nc2nc(C(=O)N3CCc4ccc(F)cc4[C@H]3C)cs2)cc1 2325738948 VQOMHSSCISOLCZ-CYBMUJFWSA-N 397.475 4.794 0 50 GJAA CN1C(N2CCC[C@@H](CCCc3ccccc3)C2)=NC[C@@H]1c1ccc(F)cc1 2325841945 KRRASSJWRCJBRM-NFBKMPQASA-N 379.523 4.903 0 50 GJAA COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC3)cc1 1081037 CLGXZMGJXKJEBD-UHFFFAOYSA-N 398.509 4.812 0 50 GJAA CCNC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 1160026 SMILNFQMMUULRM-FMIVXFBMSA-N 388.920 4.682 0 50 GJAA Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)N2CCCC2)cc1 1212170 WGIHSSKICUPYSU-HAVVHWLPSA-N 384.479 4.542 0 50 GJAA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1F 2979023 JDCBPKDOPMPTRV-UHFFFAOYSA-N 377.655 4.913 0 50 GJAA CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1(C)C 4686558 TVEOZJWCZLSVEY-FGZHOGPDSA-N 390.527 4.836 0 50 GJAA CCO[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 13458979 OXEZOWCIRUNPIN-HSZRJFAPSA-N 393.439 4.738 0 50 GJAA biogenic Cc1oc(-c2ccccc2Cl)nc1CN1CCC(OCc2ccccn2)CC1 20598809 XAZQRZNYNDKWTR-UHFFFAOYSA-N 397.906 4.880 0 50 GJAA CC(=O)c1cccc(CN2CC[C@]3(CCCN(Cc4cccc(C)c4)C3)C2)c1 55099897 YHVLAWWYNOCQEZ-VWLOTQADSA-N 376.544 4.686 0 50 GJAA COc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@H]1CCCO1 253427271 DVFQKHVJQUZDNR-GOSISDBHSA-N 377.440 4.659 0 50 GJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)C4N=N4)CC[C@H]32)C1 253612133 AEBXALXJAASRTA-DIEMPHHISA-N 384.520 4.858 0 50 GJAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)C1(C)C 303852317 OMCRFIJYBFRHSZ-HZPDHXFCSA-N 376.884 4.579 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@H](c2nc(CC(C)C)no2)C1 1529152193 PVYALPBHAUPIJC-HNNXBMFYSA-N 386.521 4.673 0 50 GJAA C[C@H]1c2ccc(O)cc2CCN1C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 1875332055 AVAYPJDPONJRNM-JTQLQIEISA-N 375.255 4.940 0 50 GJAA c1cncc(Cc2nc(-c3cccc([C@H]4CCCOC4)c3)n(C3CCCC3)n2)c1 1875349018 KGLXPOSWMZPVDD-NRFANRHFSA-N 388.515 4.940 0 50 GJAA C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)c1ccc(Oc2cccnc2)cc1 2325722020 JFNBVLWQKQVTQF-HNNXBMFYSA-N 382.410 4.903 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cc4ccccc4o3)C2=O)cc1 2356152165 RSTROUYESGDWRV-XMMPIXPASA-N 388.467 4.543 0 50 GJAA CC1=CC(C)(C)N(C(=O)c2ccco2)c2ccc(OC(=O)c3ccco3)cc21 874203 MEOLKIBVLYZQHS-UHFFFAOYSA-N 377.396 4.934 0 50 GJAA O=C(O)c1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 955639 JUGOTTYAOJSZGG-UHFFFAOYSA-N 396.855 4.525 0 50 GJAA CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 1119542 DAXANEKTLYAJAJ-UHFFFAOYSA-N 380.517 4.621 0 50 GJAA CSc1cccc(NC(=O)OCCOc2ccc(Br)cc2)c1 1753730 QXUQMUBOAWYRQC-UHFFFAOYSA-N 382.279 4.799 0 50 GJAA C[C@H]1CCCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)C1 2688972 DLCNVGUSMPKBGX-AWEZNQCLSA-N 377.879 4.834 0 50 GJAA COc1ccc(C2=NN(c3nc(C)c(C(C)=O)s3)[C@H](c3ccco3)C2)cc1 4189263 NTEYEASRBZNLKB-KRWDZBQOSA-N 381.457 4.611 0 50 GJAA COc1ccccc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 4664949 IIKJNDOHWFMXMP-UHFFFAOYSA-N 377.256 4.835 0 50 GJAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1C(F)(F)F 4727596 WGXKXIFEDYFDBJ-UHFFFAOYSA-N 376.378 4.584 0 50 GJAA CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794579 XFCXFYZMWWZMQD-SFHVURJKSA-N 396.531 4.895 0 50 GJAA O=c1[nH]c(O)nc2c1sc1nc(-c3cccs3)cc(-c3ccc(F)cc3)c12 4973645 DFQGDGUCLHOKMG-UHFFFAOYSA-N 395.440 4.773 0 50 GJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c1 20201831 VOMPXUKUNDBHJG-HXUWFJFHSA-N 389.499 4.536 0 50 GJAA CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2ccc(F)cc12)C(C)C 63883566 OPDWWFLJGZWEMA-UHFFFAOYSA-N 380.467 4.825 0 50 GJAA NCC[C@@H]1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1 96135673 MJMUSLKTGRSPSC-INIZCTEOSA-N 387.524 4.711 0 50 GJAA O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1C[C@@H]1c1c(F)cccc1F 170628974 IXJQBDOWBMYQSL-QWHCGFSZSA-N 390.773 4.515 0 50 GJAA COC(=O)c1cccc(NCc2ncc(-c3ccccc3Br)o2)c1 172866303 RQXCYMWBTHFMBU-UHFFFAOYSA-N 387.233 4.503 0 50 GJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 209804765 OABYTIQETUETKC-MSOLQXFVSA-N 378.859 4.683 0 50 GJAA Cc1ccc(C2=NN3[C@H](C(=O)c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 248101187 PENMLYDAGXHMAS-QPPBQGQZSA-N 386.426 4.887 0 50 GJAA O=C(Nc1ccccc1SC(F)F)N[C@@H](CCO)c1ccc(Cl)cc1 806151050 HFXUKPCNRKNQDQ-ZDUSSCGKSA-N 386.851 4.900 0 50 GJAA CN(Cc1ccccc1)[C@H](c1nnc(COc2ccccc2)o1)c1cccs1 888095867 JBELYDBZHSYCFM-NRFANRHFSA-N 391.496 4.932 0 50 GJAA CC(C)Cc1nc2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2[nH]1 888103894 IMZSRXYVRCSIFM-UHFFFAOYSA-N 377.469 4.589 0 50 GJAA C[C@H](C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1)N1CCCC1 1506407798 UNJMTUHWPAEOAU-HXUWFJFHSA-N 392.543 4.602 0 50 GJAA Cc1csc2nc(SCc3ccccc3SC(F)F)n(C)c(=O)c12 1875253388 WZKXCZCPTHFRGL-UHFFFAOYSA-N 384.498 4.910 0 50 GJAA c1cn2c(-c3nc(-c4ccc(CN5CCCC5)cc4)no3)c(C3CC3)nc2s1 2325735992 VAUHHKVHGJGUGJ-UHFFFAOYSA-N 391.500 4.586 0 50 GJAA CC(C)c1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 980870 SKBVISWSFWOMSM-HNNXBMFYSA-N 390.405 4.820 0 50 GJAA Cc1ccccc1C(=O)Nc1ccc(I)cc1C(C)C 1161110 JYYDWVYPCYHKCW-UHFFFAOYSA-N 379.241 4.975 0 50 GJAA O=C1O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)N1CCc1c[nH]c2ccccc12 1422802 DNBUWXULNGLMCJ-NOZRDPDXSA-N 398.462 4.749 0 50 GJAA COCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 2368879 VGIAYKWUIRZUJY-UHFFFAOYSA-N 385.558 4.921 0 50 GJAA CCCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@H](C)C2 2741796 LBDSJYSLKHGHRE-ZDUSSCGKSA-N 387.501 4.701 0 50 GJAA Cc1ccc(CSCCC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 2943811 FVOKEUIHEIALDA-UHFFFAOYSA-N 382.573 4.584 0 50 GJAA CCCc1ccc2oc(C(=O)NCc3nnc(-c4ccccc4)o3)c(C)c2c1 11699971 ZQARXPZUSXNYEQ-UHFFFAOYSA-N 375.428 4.674 0 50 GJAA Fc1ccc(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)cc1F 15078280 HUWLHXSDVNBFHB-GOSISDBHSA-N 376.413 4.595 0 50 GJAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@H]3c1cccc(Oc2ccccc2)c1 65394303 CBGICWLTQQKCTB-FQEVSTJZSA-N 383.451 4.587 0 50 GJAA O=C(c1cccnc1N1CCC[C@H](CCc2ccccc2)C1)N1CCCCC1 72432830 ZZSPISZJWQOOMC-OAQYLSRUSA-N 377.532 4.557 0 50 GJAA CC(C)(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2)C[C@H](C(C)(C)C)C1 239038454 DFGGEBQYBYXKIC-PHZGNYQRSA-N 394.397 6.512 0 50 GJAA CCc1c(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)cnn1C(CC)CC 485128858 OQIXOXSZCYHUGZ-UHFFFAOYSA-N 392.463 4.590 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCCN(C(=O)c3c(F)cccc3Cl)CC2)o1 1529159140 PDQANKYGTBGGJB-HNNXBMFYSA-N 392.902 4.722 0 50 GJAA CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2c1ccc1cc(C)ccc12 638946 YFWJGBHJSYGDPD-UHFFFAOYSA-N 387.435 4.817 0 50 GJAA O=C(Nc1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1059268 IJELPRBWZGAHTL-UHFFFAOYSA-N 386.495 4.867 0 50 GJAA COc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1 1061820 MJDXDSSVRBNUMW-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA Cc1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1C 1075813 JKCHTJAGABRZAG-UHFFFAOYSA-N 384.523 4.784 0 50 GJAA Cc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 1127237 AWAJJQPCLPXRDT-UHFFFAOYSA-N 375.266 4.604 0 50 GJAA O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 1540415 LPWVUDLZUVBQGP-DHZHZOJOSA-N 376.195 4.798 0 50 GJAA in-vivo CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 2100824 YRTOZHWKQSHYIO-UHFFFAOYSA-N 377.440 4.925 0 50 GJAA COc1cccc(C(=O)COc2cccc(NC(=O)c3ccccc3C)c2)c1 2845600 FJBHJPFPYJJSMK-UHFFFAOYSA-N 375.424 4.518 0 50 GJAA Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(C(=O)CCc2cccs2)C1 12246151 JXNDIIRPBXMMDW-KRWDZBQOSA-N 379.529 4.785 0 50 GJAA O=C(O)C1(C[C@@H]2CCCCO2)CCN(c2ccc3cccc(Cl)c3n2)CC1 71763195 VCHJKPQWUDDZTK-INIZCTEOSA-N 388.895 4.519 0 50 GJAA CC(C)c1nc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)ccc2o1 95508361 NETWLXANFHIECM-CQSZACIVSA-N 380.444 4.604 0 50 GJAA Cc1c(Cl)cccc1N1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O 100576034 VABBIMDZOLSXEA-CYBMUJFWSA-N 392.680 4.533 0 50 GJAA CC(=O)N(C)c1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1 133914556 QQYBMZUJFVKIJH-UHFFFAOYSA-N 391.258 4.638 0 50 GJAA c1ccc(C[Si]2(Cc3ccccc3)c3ccccc3Oc3ccccc32)cc1 169818324 WMAWYDTYVPPKQV-UHFFFAOYSA-N 378.547 4.919 0 50 GJAA CC(C)(C)C(=O)N1CCC(Nc2cc(Cl)ccc2OCC2CCC2)CC1 170604722 RLHLXWZJXZCPQN-UHFFFAOYSA-N 378.944 4.968 0 50 GJAA C[C@H](C(=O)N(C)Cc1ccccc1C(F)(F)F)[C@H]1OCCc2sccc21 429914893 VTPMILVWGJPRBA-YVEFUNNKSA-N 383.435 4.675 0 50 GJAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCC([C@H](O)c2ccccc2)CC1 846233893 BKEAATOSBKLILH-RTBURBONSA-N 394.298 4.565 0 50 GJAA CO[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)c1ccc(F)cc1 1437897322 VZVPNYUVUOAUCW-AWEZNQCLSA-N 377.721 4.704 0 50 GJAA CC(=O)N1c2ccccc2C(COc2ccc3oc(=O)cc(C)c3c2)=CC1(C)C 1857526212 ZNNLEKPAWHYRQJ-UHFFFAOYSA-N 389.451 4.709 0 50 GJAA CN(Cc1cc(O)ccc1Cl)[C@@H]1CCCN(C(=O)c2coc3ccccc23)C1 1875342458 SCGNXHASYYCQHQ-MRXNPFEDSA-N 398.890 4.528 0 50 GJAA Fc1ccc2nc(CN[C@H](c3cncc(Br)c3)C3CC3)ccc2c1 2325805130 QRYHIPIZQQGNNK-IBGZPJMESA-N 386.268 4.772 0 50 GJAA Cc1cc(I)ccc1NC(=O)Nc1cccc(Cl)c1 639131 METXRCURPXBAMR-UHFFFAOYSA-N 386.620 4.897 0 50 GJAA O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccccc1 828938 PZPKFQQVYURFJA-UHFFFAOYSA-N 376.481 4.664 0 50 GJAA C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 2057707 NWFQPWPPOUZDJU-OAHLLOKOSA-N 394.858 4.998 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)NCCSc1ccc(Cl)cc1 2978788 ZLELNHSWZLCSIM-UHFFFAOYSA-N 390.719 4.934 0 50 GJAA Nc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 6392446 GMCCAQCUFDMXGL-SFYZADRCSA-N 385.889 4.785 0 50 GJAA Sc1nnc(-c2cc(-c3ccsc3)n[nH]2)n1-c1cccc2ccccc12 9013368 PLDAVGVWKICYIF-UHFFFAOYSA-N 375.482 4.828 0 50 GJAA CCOc1ccc(-c2nc(CN3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)cc1 11773743 BMTBVPMPNYZZID-IBGZPJMESA-N 384.520 4.876 0 50 GJAA COc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)ccc1F 11841876 KIKMDGPMXIGEQT-OAQYLSRUSA-N 379.479 4.804 0 50 GJAA CCCN1CCC(N2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 12706239 UDWOYAXVCGRDPW-JOCHJYFZSA-N 394.559 4.618 0 50 GJAA COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 13331429 VHPULOIALKLFOA-UHFFFAOYSA-N 378.476 4.818 0 50 GJAA CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCN(CCCc2ccccc2)C1 14980676 JPTNHYGOHHZOFL-NRFANRHFSA-N 376.500 4.602 0 50 GJAA COc1ccc(OC)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1 15010973 VFHNLCBIZLVVHC-YBEGLDIGSA-N 375.833 4.598 0 50 GJAA CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1 15685726 KNCGLJXGCXUPGM-HEHNFIMWSA-N 394.540 4.582 0 50 GJAA O=C(Cn1ccc(-c2cccc(-c3ncccn3)c2)n1)Nc1ccccc1C1CC1 19226538 WMIWUGXRSMAWHW-UHFFFAOYSA-N 395.466 4.523 0 50 GJAA CCc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)cn1 95357095 RTQUIUKJCIPHHM-UHFFFAOYSA-N 376.504 4.538 0 50 GJAA O=C(NCCCC[C@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 96141653 MWHRDPBWCAHDAQ-SFHVURJKSA-N 378.476 4.701 0 50 GJAA Cc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4s3)C2=O)c(Cl)c1 100122374 JTRXJKOMHSAEPL-OAHLLOKOSA-N 388.901 4.682 0 50 GJAA C[C@]1(C(=O)O)CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 135550147 CCLBVWVASLVDGH-REWPJTCUSA-N 379.456 4.559 0 50 GJAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 239412547 SVBDUOMXSTZOEP-XVAAYUMESA-N 399.446 4.768 0 50 GJAA Cc1ccnc2sc(C(=O)N[C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c(C)c12 252550592 SUKIEIYPQZBGKZ-PKOBYXMFSA-N 393.556 4.554 0 50 GJAA Oc1ccc(Cc2ccccc2)cc1-c1nc(CCc2ccc3c(c2)CCO3)no1 1875343055 OPOWFVAVQQLZET-UHFFFAOYSA-N 398.462 4.753 0 50 GJAA Fc1ccc2nc(CN[C@@H](c3cncc(Br)c3)C3CC3)ccc2c1 2325805131 QRYHIPIZQQGNNK-LJQANCHMSA-N 386.268 4.772 0 50 GJAA O=C(c1cc(-c2cc[nH]n2)ccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822786 PGCBMXVCHKAERQ-UHFFFAOYSA-N 399.853 4.553 0 50 GJAA CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1c(OC(C)=O)ccc2ccccc12 855815 QYBCNDKBYAUUBM-DEOSSOPVSA-N 391.467 4.779 0 50 GJAA CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c(Br)c1 1148375 KXEBJJDETVOASD-UHFFFAOYSA-N 382.685 4.991 0 50 GJAA Cc1cc(Br)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 1158965 IPNNJDVSQZGEMW-UHFFFAOYSA-N 388.183 4.794 0 50 GJAA COc1cc(NC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 1159353 SQVZIRIMVITYJS-UHFFFAOYSA-N 393.439 4.544 0 50 GJAA Cc1ccc(C(=O)Oc2cccc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)c2)cc1 2968032 YUSBHLFCGPMXST-PXLXIMEGSA-N 397.430 4.867 0 50 GJAA C[C@@H]1CCCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 4183071 UHSNXGHTSUFAOZ-LOTWAOFLSA-N 383.576 4.626 0 50 GJAA N=C1NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)S1 5101599 QKQDJPLBDNAQPH-ZSOIEALJSA-N 379.268 4.711 0 50 GJAA COc1ccccc1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 11950700 JWSSWLJSXKMGEW-FQEVSTJZSA-N 379.479 4.823 0 50 GJAA CCN(Cc1cnn(C(C)C)c1)CC1CCN(CCc2ccccc2C)CC1 12459748 AUUKYLCLIDQLCA-UHFFFAOYSA-N 382.596 4.549 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 14951743 GETIMNYTIRVFJY-LJQANCHMSA-N 386.451 4.609 0 50 GJAA FC(F)(F)c1ccc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)cn1 65380532 ZKDGRMLVWYVTAW-UHFFFAOYSA-N 395.388 4.664 0 50 GJAA CCOC(=O)[C@H](C)n1cnc(-c2ccccc2)c1-c1c(C)nn(C(C)C)c1C 65381642 QVMMANXPZNVFQR-KRWDZBQOSA-N 380.492 4.735 0 50 GJAA CCC[C@H]1CCCN1C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 67774423 STOMIZRMTZDVTE-SFHVURJKSA-N 394.471 4.820 0 50 GJAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 91678902 SPOZTATVZGXHHA-LJQANCHMSA-N 377.492 4.701 0 50 GJAA Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1F 100716247 HIRLMQGJSFKEIZ-INIZCTEOSA-N 379.197 4.919 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]21 101397233 RHKPIYXWINNWJU-XYPYXGAPSA-N 381.781 4.617 0 50 GJAA CC(C)CC(=O)Nc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc1F 186271854 RXNDJKIHSSKQMU-CQSZACIVSA-N 384.451 4.670 0 50 GJAA CC[C@@H](NC(=O)N1CCCC2(CCCCCC2)C1)c1nnc2n1CCCCC2 408360912 AMHOHEWRFBYLNV-GOSISDBHSA-N 387.572 4.602 0 50 GJAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)c1ccc(-n2ccnc2)cc1 828161165 JTQHQBXCFCSALC-UHFFFAOYSA-N 388.471 4.562 0 50 GJAA CC(C)Oc1cccc(/C=C/C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 2325707197 GSLCNJVRUYQHNX-IZZDOVSWSA-N 375.428 4.708 0 50 GJAA COc1ccc(Br)c(CNCc2cc(O)c3ccsc3c2)c1 2325739027 USYDIHARKFKYCU-UHFFFAOYSA-N 378.291 4.668 0 50 GJAA O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N(Cc1ccccc1)c1ccccc1 869840 HWNKURPUTXLELK-UHFFFAOYSA-N 399.416 4.624 0 50 GJAA CC(C)c1ccc(OCC(=O)N2CCCc3ccccc32)c(Br)c1 1139439 ZMRCNFRKBCFTPB-UHFFFAOYSA-N 388.305 4.931 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)ccc1Cl 1206195 YWWDVZCHNYJNTD-UHFFFAOYSA-N 384.819 4.511 0 50 GJAA Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1 1218491 IEVVYTRTUMDCHQ-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2)sc2c1CCCC2 2091821 AVPRQJPAOKWVKM-INIZCTEOSA-N 387.501 4.600 0 50 GJAA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccncc3)s2)cc1 2503274 AKDFTDWEOZBABP-SJORKVTESA-N 378.501 4.640 0 50 GJAA COc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 2582966 RHASRZZYFQOPAC-UHFFFAOYSA-N 389.407 4.754 0 50 GJAA in-vitro O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 4192335 RCVQVWMKUCHALV-UHFFFAOYSA-N 393.358 4.858 0 50 GJAA CCC(CC)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12835997 KRKJVCCDOQHGKQ-JOCHJYFZSA-N 394.515 4.728 0 50 GJAA COc1cc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)ccc1F 15003284 HAOOTSPRPSNEAH-QGZVFWFLSA-N 383.442 4.743 0 50 GJAA CC(=O)c1cccc(CN[C@H](C)c2cnc(N(C)C3CCCCC3)nc2C)c1 20586416 ZJYTWNRBIXYGQU-MRXNPFEDSA-N 380.536 4.607 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)on2)cc1 21790780 OQPCAVGLEDZOPW-IBGZPJMESA-N 382.847 4.981 0 50 GJAA Cc1c([C@@H](C)NC2CCN(CCc3ccccc3)CC2)cnn1-c1ccccc1 23339200 UVGVVSUHKUUZQE-HXUWFJFHSA-N 388.559 4.538 0 50 GJAA CC(C)n1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3cc(F)ccc3n2)cn1 63833347 KHLHVZVBOKDFOG-UHFFFAOYSA-N 380.467 4.690 0 50 GJAA Cc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nc1 67605511 YOLRJOYRPBIOTD-UHFFFAOYSA-N 382.891 4.787 0 50 GJAA O=C(O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl 72409041 QYXKHMRGWKMIIP-UHFFFAOYSA-N 378.819 4.589 0 50 GJAA Cc1ncc(C(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c(C)n1 77322111 IRHMHNQPUKYAPJ-UHFFFAOYSA-N 388.446 4.619 0 50 GJAA CC1=NN(c2ccc(C(=O)Nc3cnn(-c4cccc(Cl)c4)c3C)cc2)CC1 154272575 AGIMLSFPYIQUSQ-UHFFFAOYSA-N 393.878 4.672 0 50 GJAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 187491361 MFJVVCCKQYQTAD-ZDUSSCGKSA-N 393.409 4.544 0 50 GJAA Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]3CCCC[C@H]32)o1 229994614 SRBPYMQORSDGOK-SJLPKXTDSA-N 378.476 4.855 0 50 GJAA C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 239248059 XYXSWNLJRUZOJN-SXSRJDHOSA-N 385.551 5.660 0 50 GJAA C[C@@H](NC(=O)N1CCC(O)(C2CC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 1776000287 OAUXEZWPRNCORU-MRXNPFEDSA-N 382.479 4.500 0 50 GJAA O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1-c1ccccc1 714505 UWHLGHRKAZDSAJ-UHFFFAOYSA-N 380.419 4.956 0 50 GJAA O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3ncccc3o2)c1 1218028 SYTDYOCKTNUAFX-UHFFFAOYSA-N 379.803 4.561 0 50 GJAA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)[C@H]1C[C@@H]1c1ccccc1 2761514 NEOSFJBKQOZFLS-CVEARBPZSA-N 386.282 4.980 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1nc2ccccc2s1 2874193 IKJSGWPOTJOSKM-UHFFFAOYSA-N 397.681 4.730 0 50 GJAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1CCCCC1 4828426 ZZSZPLRHPLEWMO-RUZDIDTESA-N 376.544 4.994 0 50 GJAA Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cccn2-c2ccccn2)cc1C 11817460 HCFJCFZWWODZPU-HSZRJFAPSA-N 397.526 4.842 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)c(C)c1 11873154 GQZWUMCBRFWDQE-HXUWFJFHSA-N 398.547 4.851 0 50 GJAA O=C(c1cn(C2CCCCCC2)nn1)N1CCCC[C@@H]1CCc1ccccc1 12758157 DIBVWHJDOZKJPY-HXUWFJFHSA-N 380.536 4.801 0 50 GJAA O=C(CCC(F)(F)F)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 14967425 PHMJARJGAVYBEL-CYBMUJFWSA-N 389.826 4.831 0 50 GJAA O=C(c1cccnc1-c1cc(NC2CCCC2)nc2[nH]ccc12)N1CCCCC1 72447968 CSBSDTWBULGYHV-UHFFFAOYSA-N 389.503 4.606 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N4CC[C@@H](CC(C)C)C4)co3)ccc2s1 91645054 XYSWTGTZGLUXSD-HNNXBMFYSA-N 399.516 4.680 0 50 GJAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@H]21 229867573 WQWMXOPYXJXDLU-OHDICMOHSA-N 378.497 4.600 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239433478 XTGLIVITYKYLTH-OYQDBORRSA-N 392.248 5.500 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2OC)cn1 824557988 UFQYNKVPQXZILZ-UHFFFAOYSA-N 384.819 4.797 0 50 GJAA C[C@H](Cn1nc(-c2ccc(Cl)nc2)nc1[C@@H]1CCOC2(CCC2)C1)C1CC1 1875331396 YJWKQXPTKHKWNF-GDBMZVCRSA-N 386.927 4.856 0 50 GJAA O=C(Nc1cccc(Oc2ccnc3ccccc23)c1)c1cnc(F)c(F)c1 1875387904 DTPCRLRESPTTRL-UHFFFAOYSA-N 377.350 4.953 0 50 GJAA Cc1cccc(-n2nc(-c3nc(C)cs3)nc2-c2cccc3oc(O)nc23)c1 2325824137 QNSHCDPBEIUYTJ-UHFFFAOYSA-N 389.440 4.521 0 50 GJAA c1ccc(CN=c2[nH]c(N3CCSc4ccccc4C3)nc3ccccc23)cc1 2325866246 FNNKFMZHYGNLPU-UHFFFAOYSA-N 398.535 4.776 0 50 GJAA O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cc(F)c(F)cc1Cl 645796 PREHQYPAZODNKO-UHFFFAOYSA-N 387.773 4.518 0 50 GJAA Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 687415 STKXOYIAFUXVPI-UHFFFAOYSA-N 380.517 4.645 0 50 GJAA COc1ccc(-n2cnc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)cc1 1131613 XFPJBRNDBUGRQH-UHFFFAOYSA-N 377.831 4.940 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O 1181241 SJTNYVNCLCTKKN-YVLHZVERSA-N 389.860 4.681 0 50 GJAA Cc1sc(NC(=O)c2cccc(Br)c2)c(C(=O)OC(C)C)c1C 1200000 HNITULIMXKGSAL-UHFFFAOYSA-N 396.306 4.945 0 50 GJAA O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Br)cc1 1288728 WJUFEXFXXHBEOL-UHFFFAOYSA-N 385.286 4.924 0 50 GJAA Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 2218704 PYOKVKXNEDBWRF-UHFFFAOYSA-N 377.425 4.523 0 50 GJAA CCc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 2843741 KTBPQQYECIRJLK-QZTJIDSGSA-N 383.293 4.749 0 50 GJAA COc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2)cc1 2857856 HSWCOQQYNKFKDM-JOCHJYFZSA-N 381.859 4.633 0 50 GJAA CCn1nc(C)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1C 2867736 NSYIMFCBDXSWIH-UHFFFAOYSA-N 385.471 4.691 0 50 GJAA COc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)c(OC)c1 4756096 MNPXVYVTGJDJBD-UHFFFAOYSA-N 387.439 4.579 0 50 GJAA Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)nn1C 6400242 FODXPCHKYVCPHE-UHFFFAOYSA-N 376.847 4.849 0 50 GJAA Cc1ccc(-c2cccc(CN3CCC[C@@H](CCC(=O)N4CCCC4)C3)c2)o1 12459842 ADAPXOAPBFVTHD-FQEVSTJZSA-N 380.532 4.870 0 50 GJAA Cc1ccc(C)c(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 20617311 AVHYUYIDRIOXSR-SFHVURJKSA-N 390.487 4.569 0 50 GJAA CC[C@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C)c(N2CCNC2=O)c1 20821148 FCFLHZONZJACGZ-INIZCTEOSA-N 399.922 4.619 0 50 GJAA CCC(CC)(C1=N[C@@H](Cc2ccccc2)CO1)C1=N[C@@H](Cc2ccccc2)CO1 72099164 ZIDQHNROIGAKIB-VXKWHMMOSA-N 390.527 4.873 0 50 GJAA in-vitro CN1C(=O)[C@](C)(CCC2CCN(CCc3ccccc3)CC2)c2ccccc21 96027141 QZXYESIHHFZZEC-RUZDIDTESA-N 376.544 4.656 0 50 GJAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 169690648 XNVKQUIGVYDPJL-XYPYXGAPSA-N 381.781 4.617 0 50 GJAA CC(C)(c1ccccc1)c1nnc(NC(=O)Cc2c[nH]c3ccc(F)cc23)s1 170627087 YSHDAVKPDWHOQQ-UHFFFAOYSA-N 394.475 4.666 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Br)c1C 173179427 QVPJTBOQDGJBCW-UHFFFAOYSA-N 384.277 4.812 0 50 GJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 238936964 SQFALPKIUAOVMZ-IKOPJOCTSA-N 394.359 4.851 0 50 GJAA FC(F)(F)c1cc(Oc2ccc(-n3cccn3)cc2)nc(-c2cccnc2)n1 301336065 CCXGUEDIBKGXFI-UHFFFAOYSA-N 383.333 4.535 0 50 GJAA Cc1ccc(Br)c2c1CC[C@H]2NCCCN1CCc2ccccc2C1 1875345475 YSNLVGHPTISDSQ-OAQYLSRUSA-N 399.376 4.783 0 50 GJAA O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccc(Cl)cc1 668980 YWNGLAYYWCADFI-UHFFFAOYSA-N 379.070 4.995 0 50 GJAA O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1 703873 ZDQAMGBZVJEZID-GOSISDBHSA-N 385.442 4.744 0 50 GJAA CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 793396 LAEUBKALTCQPAM-UHFFFAOYSA-N 385.466 4.959 0 50 GJAA O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1ccc(F)cc1 954934 VFNLGLXZDFECBS-UHFFFAOYSA-N 389.382 4.617 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1Br 1143886 KXLLTPLMHUITRQ-UHFFFAOYSA-N 389.293 4.700 0 50 GJAA CCCCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 2349749 NFOHHKRQFUXXCS-UHFFFAOYSA-N 384.457 4.516 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)c(C)c3)c(N)c12 2871379 XOCBBEUVEAXWOO-UHFFFAOYSA-N 375.881 4.547 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)CCCc2ccccc2)cc1 2875882 QLPMLLUPNOKMIW-UHFFFAOYSA-N 388.467 4.909 0 50 GJAA COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)c2ccccc2)cc1 5013329 HLWJMNNGVHUTSC-MRXNPFEDSA-N 375.424 4.866 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)n1 11937972 SCENLSBYZHHLJK-AREMUKBSSA-N 395.506 4.978 0 50 GJAA Cc1cccc(CN2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 12448463 DUEPRNKXJLMUCC-JOCHJYFZSA-N 387.483 4.785 0 50 GJAA CC[C@@H]1CCCCN1C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 63883670 FIYAYVLPLMJYOQ-GOSISDBHSA-N 376.504 4.657 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(c3ccncc3)C2)cc1 96130674 WUDNBKNXZQYHQV-IBGZPJMESA-N 387.483 4.612 0 50 GJAA O=C(Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1Br 110382016 FZNYKHAQTXCVMQ-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA CC(C)CN1CC(O)=C(c2nc(-c3ccc(Br)cc3)cs2)C1=N 252523205 CBIYEZRPMWEDQG-UHFFFAOYSA-N 392.322 4.791 0 50 GJAA COC(=O)c1c(NC(=O)c2cnc(Cl)c(Cl)c2)sc2c1CCCCC2 327753184 MYIUAWJSBHBRKO-UHFFFAOYSA-N 399.299 4.758 0 50 GJAA CO[C@H](C)c1cccc(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1 432069768 QKKKQZRCMBGTNP-MRXNPFEDSA-N 392.503 4.921 0 50 GJAA CNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 643900 ZBLSFTRBWQRAFZ-LLVKDONJSA-N 376.547 4.573 0 50 GJAA COc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1244089 INKUVBMAPRSNKE-QHCPKHFHSA-N 386.451 4.788 0 50 GJAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@@H](C(=O)CC(C)C)C1 12431232 JXNOILKXETYPOI-OAHLLOKOSA-N 376.447 4.755 0 50 GJAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 12588911 HTDIVYGQDLLFRX-INIZCTEOSA-N 391.389 4.529 0 50 GJAA COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 14256404 IQBYREANEDEVRF-UHFFFAOYSA-N 375.534 4.992 0 50 GJAA COc1cccc(-c2nc3ccc(C(=O)N[C@@H](C)CCCC(C)(C)O)cc3o2)c1 14953814 IIPNCQYTYBTENN-HNNXBMFYSA-N 396.487 4.563 0 50 GJAA Cc1ccc2c(c1)N(c1c(-c3ccccc3)c3ccccc3[nH]c1=O)C(=O)CO2 15019442 QENVZIGYNVHBPM-UHFFFAOYSA-N 382.419 4.561 0 50 GJAA CNC(=O)c1ccc([C@H]2CCCN2Cc2cnc(-c3ccccc3)s2)s1 23380109 VBCQMGOFTSTGKT-MRXNPFEDSA-N 383.542 4.568 0 50 GJAA c1ccc(C(c2ccccc2)c2n[nH]c3c2CN(Cc2ccccn2)CC3)cc1 67884233 PRQKXCURJOWLQV-UHFFFAOYSA-N 380.495 4.543 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)n1 72442345 GWELUYKVQCKENZ-UHFFFAOYSA-N 375.476 4.532 0 50 GJAA COc1ccc(-c2noc([C@H](C)Nc3cnn(-c4ccccc4F)c3C)n2)cc1 126749401 YBPCNJOUQULFOZ-ZDUSSCGKSA-N 393.422 4.552 0 50 GJAA COc1ccc(CN(Cc2nc3ccccc3o2)[C@@H](CCO)c2ccco2)cc1 225424730 FGUXQAZDKWOFJB-FQEVSTJZSA-N 392.455 4.555 0 50 GJAA NC1CCC(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 237924644 BRUHRPZJBJQRIK-UHFFFAOYSA-N 386.561 4.998 0 50 GJAA CCN1CCCC[C@@H]1Cn1ccnc1-c1cnc(-c2ccccc2OC)s1 1857702412 AHVLOMSKTJPSOU-MRXNPFEDSA-N 382.533 4.557 0 50 GJAA CN(C(=O)c1cc2ccccc2cc1OC[C@@H]1C[N@]1CC1CC1)c1ccccc1 1875382235 VQHNGURECRZOEN-CUNXSJBXSA-N 386.495 4.589 0 50 GJAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1SC(F)(F)F 916963 PDFCYYUARWPSJM-CQSZACIVSA-N 398.431 4.740 0 50 GJAA O=C(Nc1ccccc1)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl 1085192 WMZRRXZKVKUQSA-STQMWFEESA-N 388.678 4.636 0 50 GJAA O=C(c1ccccc1F)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 1116747 YYAOIOOIOCOIHU-UHFFFAOYSA-N 398.437 4.601 0 50 GJAA Cc1cc(OCc2nc(Cc3ccc(Cl)cc3)no2)ccc1Br 1185589 RDDIBHXNWOHPBV-UHFFFAOYSA-N 393.668 4.964 0 50 GJAA O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 2876723 UHDPMOACOOUFLS-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA Cc1ccc(-c2noc(CN(C(=O)Cc3ccc(Cl)cc3)C(C)C)n2)cc1 4834495 HXLISFICOXNZCD-UHFFFAOYSA-N 383.879 4.678 0 50 GJAA Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 6143756 CBAOUTPPVRPOFC-UHFFFAOYSA-N 375.664 4.542 0 50 GJAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(SC)cc3)C2)cc1OC 11873800 RHBJNZVSWBGUGI-SFHVURJKSA-N 385.529 4.521 0 50 GJAA CC1(COc2cccc(CN(C(=O)C3CCCCC3)C3CCCC3)c2)COC1 12158144 LWLMAGPAFULZKE-UHFFFAOYSA-N 385.548 4.953 0 50 GJAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2c(F)cccc2F)cc1C 12198108 YDDNBJVOKFDBGL-LJQANCHMSA-N 381.426 4.575 0 50 GJAA Cc1ccc(-n2cc(CN(C)Cc3cn(C)nc3C)c(-c3cccc(C)c3)n2)cc1 12716537 QOSLZWMTQNAALN-UHFFFAOYSA-N 399.542 4.830 0 50 GJAA CCCCN(C)C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 14982632 CVBMRNVJPGJCLV-HXUWFJFHSA-N 393.575 4.878 0 50 GJAA CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1C 20603248 PADMCTIZLOEORP-UHFFFAOYSA-N 385.393 4.997 0 50 GJAA OCC1CCN(C2CCN(c3cccc(-c4ccc(Cl)cc4)c3)CC2)CC1 23380346 GHMJWGGLERAUEW-UHFFFAOYSA-N 384.951 4.680 0 50 GJAA CCN(CC)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12 63857725 ZQZNODJIZNUTLM-UHFFFAOYSA-N 376.504 4.914 0 50 GJAA CCc1nn2c(-c3cccnc3)ccnc2c1-c1ccc(Br)cc1 71385278 QISGIRVQZUCEDU-UHFFFAOYSA-N 379.261 4.783 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)Cc1ccncn1 71681351 INOSEUSZBXYTDX-UHFFFAOYSA-N 386.455 4.864 0 50 GJAA CCc1c(C(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)[nH]c2ccccc12 97776229 CKNGBBYANHNRHW-UHFFFAOYSA-N 376.435 4.532 0 50 GJAA Fc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 97922816 QYHBYHLILDBRAT-UHFFFAOYSA-N 398.485 4.758 0 50 GJAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 129216471 NPEYPASVYAONLM-TZIWHRDSSA-N 392.524 4.558 0 50 GJAA CN(C(=O)c1ccccc1NC(=O)c1coc(C2CCC2)n1)C1CCCCC1 194096584 WAYKTBSQNKLQDA-UHFFFAOYSA-N 381.476 4.599 0 50 GJAA CC(C)n1cc(CCC(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 252482620 DLHIPCUOYGSRKE-UHFFFAOYSA-N 388.515 4.780 0 50 GJAA COc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1 409413732 LDWWUJIVBPUGPV-FQEVSTJZSA-N 378.476 4.995 0 50 GJAA COC(=O)[C@@H](c1ccccc1C(F)(F)F)N(C)Cc1cccc2[nH]ccc12 494081183 XPFPZKFUVYXJIK-GOSISDBHSA-N 376.378 4.533 0 50 GJAA Cn1c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc2cccc(Cl)c21 952990041 UCORHERNZRPDOO-QGZVFWFLSA-N 384.863 4.642 0 50 GJAA Cc1cc(Br)sc1-c1nnc(NC(=O)c2cccs2)s1 1857800405 ADXVGPSHLFZJIN-UHFFFAOYSA-N 386.321 4.651 0 50 GJAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(-c3cccc(C)c3)c2)C1=O 2356150375 ZAQGRZIGSGHLEI-RUZDIDTESA-N 390.527 4.669 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccccc1C 637791 XUPFAJUPRLLHMG-UHFFFAOYSA-N 395.480 4.918 0 50 GJAA CCn1ncc(Br)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1144708 KVXFDDHBBFFADK-UHFFFAOYSA-N 396.594 4.590 0 50 GJAA Cc1ccc(OCCCCN2CCCCCC2)c(I)c1 2839041 SPIKGLGUJMNRTF-UHFFFAOYSA-N 387.305 4.635 0 50 GJAA Clc1cc(Br)ccc1OCCOCCn1cnc2ccccc21 2868210 CYIZBKKORXBHSP-UHFFFAOYSA-N 395.684 4.548 0 50 GJAA CCCCOc1cccc(C(=O)Nc2ccccc2I)c1 2929847 KYUGHRRSFOOKRM-UHFFFAOYSA-N 395.240 4.722 0 50 GJAA CCOc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 5102601 DFSZGKBKTSFQPG-UHFFFAOYSA-N 380.307 4.720 0 50 GJAA COc1cccc(OC)c1C(=O)NCCc1ccc2oc3ccccc3c2c1 6668563 YDGUYNNDIHUKBW-UHFFFAOYSA-N 375.424 4.576 0 50 GJAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)ccc1F)CCO2 14992249 KGOIZHGTVNKISJ-QHCPKHFHSA-N 395.449 4.636 0 50 GJAA Cc1ccc(F)cc1NC(=O)c1ccc([C@H]2CCCN2Cc2c[nH]cn2)s1 23506064 AXKCEQDECMYKTQ-QGZVFWFLSA-N 384.480 4.508 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 71758268 XWJTYEGVQBFZHI-ACMZAHGXSA-N 390.564 4.542 0 50 GJAA COc1cccc(-c2nc(C(=O)N3CC[C@H]3c3ccccc3F)cs2)c1OC 170652120 AXHUADZWJWYFTL-KRWDZBQOSA-N 398.459 4.554 0 50 GJAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1 193499339 CKCWSOHDMSVTPU-UHFFFAOYSA-N 385.332 4.667 0 50 GJAA COc1ccccc1-c1nc(C(=O)N2c3ccccc3SC[C@H]2C)cs1 225457759 JFFBUNSIPAXKFX-CYBMUJFWSA-N 382.510 4.960 0 50 GJAA COc1ccc(-c2csc3nc(=S)n(-c4ccccc4)c(O)c23)cc1OC 239306132 GLSRHRASEYSETD-UHFFFAOYSA-N 396.493 5.206 0 50 GJAA CCCN(Cc1ccccn1)C(=O)c1ccc(-c2cnc(OC)cc2C)cc1 584902485 RGSOERAHKGABPD-UHFFFAOYSA-N 375.472 4.513 0 50 GJAA O=C(Cc1ccc(O)c(Cl)c1)NCC[C@@H](c1ccc(F)cc1)c1ccco1 1772702429 KCDQYUPMDBTYQM-KRWDZBQOSA-N 387.838 4.659 0 50 GJAA CCOc1ccc(CC(=O)Nc2c(C(C)=O)oc3ccccc23)cc1OCC 720763 ROUFVGILSMZFJP-UHFFFAOYSA-N 381.428 4.614 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@H](C)C(=O)OC(C)C)cc1 953514 CLOVNDDDUCQJMC-CQSZACIVSA-N 375.852 4.620 0 50 GJAA CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 967735 TVLSRXXIMLFWEO-UHFFFAOYSA-N 376.671 4.602 0 50 GJAA biogenic,in-vitro CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OC2CCCCC2)=C1C 970933 IFLGLMVDKFNWCR-GOSISDBHSA-N 376.884 4.576 0 50 GJAA Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 1114994 WMKHFSUZWHEKSL-CABCVRRESA-N 394.693 4.967 0 50 GJAA CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@@H](C(=O)O)C1 2736124 NSTQVJHUSUXFQI-SJORKVTESA-N 384.501 4.813 0 50 GJAA O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 2873168 OBQMQKDEZKCNJO-UHFFFAOYSA-N 388.854 4.987 0 50 GJAA CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 4556336 TUYUUMSGLSTZHF-OAHLLOKOSA-N 382.316 4.862 0 50 GJAA CC(C)(C)c1cc(CN2CCN(c3ccccn3)CC2)cc(C(C)(C)C)c1O 4977536 VTEIFVOGERJZEJ-UHFFFAOYSA-N 381.564 4.704 0 50 GJAA CCc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 5579107 OJGLWRPSPCXLEG-UHFFFAOYSA-N 378.453 4.858 0 50 GJAA CCCCCOc1ccc(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)cc1 6398553 MUNAVHNEVWJIAT-JXMROGBWSA-N 385.411 4.778 0 50 GJAA Cc1cc(CN(C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)n[nH]1 11935949 NTXSSIQJBAGJMM-UHFFFAOYSA-N 387.487 4.543 0 50 GJAA COc1cc2c(cc1NC(=O)CC(C)C)[C@@H](c1cccc3[nH]ccc13)CC(=O)N2 67817070 BGDNIPPZGQLVPM-MRXNPFEDSA-N 391.471 4.635 0 50 GJAA CC(C)Nc1ncc(CN2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cn1 71754059 FQHLLTTVHXGJIL-QFIPXVFZSA-N 388.515 4.545 0 50 GJAA COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1 97532229 DENGDLVZAOWXNX-UHFFFAOYSA-N 381.476 4.622 0 50 GJAA Cc1cc([C@H]2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1 97636674 TZCHODLGVBBWSP-GOSISDBHSA-N 379.464 4.661 0 50 GJAA O=C(Nc1ccc(Cn2ccnc2)cc1)N1CCC[C@H](c2cc(F)ccc2F)C1 239653714 BKWMNFMQZWNLAE-KRWDZBQOSA-N 396.441 4.621 0 50 GJAA Cc1c(-c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)c(C(F)(F)F)nn1C 534649444 YINRKIKGMSSWPF-ZDUSSCGKSA-N 379.426 4.677 0 50 GJAA CC(C)N(CC1CCC1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 1875264339 IEZLEHSDMKGBNC-UHFFFAOYSA-N 398.572 4.902 0 50 GJAA CCN(Cc1ccc(F)cc1)C(=O)c1cc2c(nc1O)CC[C@@H](C(C)(C)C)C2 2325853497 REIHZINFPVUYQG-QGZVFWFLSA-N 384.495 4.740 0 50 GJAA O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)S1 1128347 USZOYQBMRBURFO-OVCLIPMQSA-N 380.252 4.896 0 50 GJAA Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 1186778 KESVKSLMBOQZIM-UHFFFAOYSA-N 384.819 4.511 0 50 GJAA O=C(NCc1ccc(F)cc1)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1 1406371 DUTWXTMIOUQKDZ-UHFFFAOYSA-N 391.229 4.622 0 50 GJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1F)c1nc3ccccc3nc12 1432764 RGRFTQAEEOJLCI-PKTZIBPZSA-N 375.447 4.737 0 50 GJAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2 2855481 GZGQEEBZWHJLRO-UHFFFAOYSA-N 391.814 4.864 0 50 GJAA aggregator COc1ccc(N2C(=O)/C(=C\Nc3ccccc3C)c3ccccc3C2=O)cc1 2869725 ZVGJVTAPXCAXBB-QNGOZBTKSA-N 384.435 4.644 0 50 GJAA Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)c1 4196045 UVNNUJCQEXQJHV-UHFFFAOYSA-N 393.531 4.998 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)Nc3ccccc3C)c2)cc1 4858739 OCUAIBXITVXYHC-UHFFFAOYSA-N 379.481 4.530 0 50 GJAA CCc1c(C)sc2nc(S)n(-c3ccc(Cc4ccncc4)cc3)c(=O)c12 6394626 IBYZDPQQVNLISN-UHFFFAOYSA-N 393.537 4.593 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(CCCc2ccccc2)CC3)c1 14878941 VEEIXCOSTNYSIH-QHCPKHFHSA-N 376.544 4.977 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2cccs2)C3)c1 14883174 YGFPPWMODVQGGG-UHFFFAOYSA-N 381.497 4.827 0 50 GJAA Cc1ccc(C)c(N2CCN(Cc3ccc(F)c(Br)c3)CC2)c1 55292120 FHFXLTACXPBRHZ-UHFFFAOYSA-N 377.301 4.527 0 50 GJAA COc1ccc(CCCNC(=O)c2ccc(-c3cccc4cccnc34)nc2)cc1 67726111 HZXYKZYKUPXVAY-UHFFFAOYSA-N 397.478 4.668 0 50 GJAA Cc1ccccc1SC1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 77437972 UHIDZYGZQXTKND-UHFFFAOYSA-N 377.513 4.782 0 50 GJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3ccncc3)C2)cc1 96130673 WUDNBKNXZQYHQV-LJQANCHMSA-N 387.483 4.612 0 50 GJAA Cc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 263618027 QXDIHNHHGRVBMG-LJQANCHMSA-N 392.846 4.833 0 50 GJAA Cc1c(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)oc2ccc(Cl)cc12 334162426 NVEJOJSSCRFHPW-UHFFFAOYSA-N 399.802 4.643 0 50 GJAA c1ccc(CNc2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)cc1 2325706938 CGQINOVJQJVVNY-UHFFFAOYSA-N 378.545 4.778 0 50 GJAA CN1C(N2CCC[C@H](CCCc3ccccc3)C2)=NC[C@H]1c1ccc(F)cc1 2325841948 KRRASSJWRCJBRM-REWPJTCUSA-N 379.523 4.903 0 50 GJAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 720921 OCNAVQNENHFYCE-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA CCn1c(SCC(=O)O)nnc1-c1sc2cc(Cl)ccc2c1Cl 952714 MKFYKMVUXBFHCE-UHFFFAOYSA-N 388.301 4.663 0 50 GJAA COc1ccc(-c2cc(=O)c3cc(OC(=O)c4ccc(F)cc4)ccc3o2)cc1 955669 BXSGXJGULZNTRA-UHFFFAOYSA-N 390.366 4.827 0 50 GJAA c1ccc(OCc2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)cc1 1076995 LOWNFZYCIHHVKT-LJQANCHMSA-N 381.501 4.508 0 50 GJAA COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)c(Cl)c1Cl 1128572 KJZHDZQWWAWTEW-UHFFFAOYSA-N 378.302 4.525 0 50 GJAA O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1151561 VQKNUSSWOSOLBV-UHFFFAOYSA-N 388.044 4.796 0 50 GJAA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2C)cc1 1185314 KHQFWFNKBTUYAM-HXUWFJFHSA-N 382.847 4.601 0 50 GJAA CCCN1C(=O)Oc2ccccc2[C@@H]1O[C@H]1c2ccccc2OC(=O)N1CCC 1431519 YJWNGCLKYXDQRE-PMACEKPBSA-N 396.443 4.849 0 50 GJAA Cc1cc(Cl)c(OCCOCCN2CCC(C)CC2)c(Br)c1 3003871 XROYHKODSHBIJX-UHFFFAOYSA-N 390.749 4.538 0 50 GJAA COC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc(C)c1-c1ccccc1 6824921 RKEPLJBLYORBIT-ZDUSSCGKSA-N 388.558 4.939 0 50 GJAA Cc1ccc(C)c(N2CCN(C(=O)CSCc3ccccc3Cl)CC2)c1 6920059 LKCBHLWPAJLDPC-UHFFFAOYSA-N 388.964 4.539 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 11934108 AFTMKDADSXRGPO-GOSISDBHSA-N 390.439 4.510 0 50 GJAA O=C(Cc1ccsc1)N1CCC(n2c(C3CCC3)nc3cc(F)ccc32)CC1 14968844 WFRKQVYSARPNGA-UHFFFAOYSA-N 397.519 4.911 0 50 GJAA Cc1cccc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1 15065119 QPAQODAQVGFXSC-HXUWFJFHSA-N 396.962 4.708 0 50 GJAA O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc2nc(C3CC3)oc2c1 176617218 CMYMNSYBDJZJAU-UHFFFAOYSA-N 389.480 4.934 0 50 GJAA COc1cccc(-c2nc(C(=O)N(CC3CC3)c3ccccc3)cs2)c1OC 253393723 BCRKNLWRLGPGHC-UHFFFAOYSA-N 394.496 4.884 0 50 GJAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)cc1OC 299759969 RVDYUYMFQARBNH-SFHVURJKSA-N 395.478 4.613 0 50 GJAA CC(C)([C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1)N1CCCC1 1458836259 MXQFBAIAADOJES-LJQANCHMSA-N 392.877 4.964 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 1092485 MRCIOTLSCARHFQ-ZOVQAKDCSA-N 393.486 4.956 0 50 GJAA biogenic CC(C)(C)c1ccccc1NC(=O)c1cccc(I)c1 1117994 HSQWJSGFXWEQIC-UHFFFAOYSA-N 379.241 4.841 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccccc1F 1161964 IOTGIGIZDRVJQD-UHFFFAOYSA-N 389.839 4.569 0 50 GJAA CCc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 1214306 HMHRHJAJQARIQZ-UHFFFAOYSA-N 380.469 4.897 0 50 GJAA Cc1ccccc1C(=O)Nc1cccc(-c2nnc3c4ccccc4c(C)nn23)c1 2233187 BRTNEFYLIVAFCI-UHFFFAOYSA-N 393.450 4.814 0 50 GJAA S=C(NNC(=S)Nc1cccc2ccccc12)Nc1ccc(Cl)cc1 2858355 MWOROGQLTNMJLO-UHFFFAOYSA-N 386.933 4.681 0 50 GJAA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc(Cl)cc1 4387717 KWYXKSBXXCRKIY-UHFFFAOYSA-N 389.234 4.850 0 50 GJAA CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 4657484 XLHNXCABZJCWMU-IBGZPJMESA-N 375.896 4.586 0 50 GJAA O=C(O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 4718144 OOFDSNXJASCZBR-SUZAXQQNSA-N 396.314 4.842 0 50 GJAA Cc1cccc(-c2nnc(-c3cccc(NC(=O)COc4ccccc4)c3)o2)c1 4841114 WDZIBXLIJCFMQC-UHFFFAOYSA-N 385.423 4.730 0 50 GJAA CCc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 9764025 MCEQJYOFHGMUGK-UHFFFAOYSA-N 375.259 4.697 0 50 GJAA Cc1cc(OCc2cc(C(=O)N3CCCCCCC3)no2)cc(C)c1Cl 11949954 GHXDOHZKDKELME-UHFFFAOYSA-N 376.884 4.930 0 50 GJAA COc1ccc(C)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12075910 JEQAKKKLCPYPIS-MRXNPFEDSA-N 386.879 4.784 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCc1ccco1 14965236 PHALATYYVNJVSZ-IBGZPJMESA-N 377.488 4.536 0 50 GJAA C[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1 170615102 SLHDQKBHRWBDJM-CYBMUJFWSA-N 390.302 4.642 0 50 GJAA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(Cl)cn1 252549684 RRMPBFKPCBHFOX-OAHLLOKOSA-N 381.307 4.527 0 50 GJAA FC(F)Oc1cc(Br)c(Br)cc1OC(F)(F)F 263622778 AWIIVCPTAKLSLS-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA CSC[C@@H](C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 390832861 GZXJBBXFVZOULG-JTHBVZDNSA-N 396.600 4.552 0 50 GJAA CN(Cc1ccccc1)[C@@H](c1nnc(COc2ccccc2)o1)c1cccs1 888095876 JBELYDBZHSYCFM-OAQYLSRUSA-N 391.496 4.932 0 50 GJAA c1cc2cc(c1)OCCN(Cc1ccncc1)CCCCN1CCCC[C@H]1CC2 1857698529 WOEZKPUWCNCFHW-DEOSSOPVSA-N 393.575 4.544 0 50 GJAA C[C@@H](CCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 757016 NIBHBPNJUYKZOD-KRWDZBQOSA-N 388.349 4.926 0 50 GJAA COc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 4687463 WWBIVDAPTKYFBS-UHFFFAOYSA-N 378.428 4.708 0 50 GJAA C[C@]12CCC[C@@H]1[C@@H]1[C@@H](CC2)[C@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 5276541 MPIRFQZGXWCVJD-UCGFNCKJSA-N 376.537 4.515 0 50 GJAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc3ccccc3[nH]2)CC1 12073860 YWODAATWGLEJGY-UHFFFAOYSA-N 376.500 4.556 0 50 GJAA COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)Nc2cc(C)cc(C)c2)cc1 12210543 WXVZQXNVCSNXBZ-QFIPXVFZSA-N 378.516 4.553 0 50 GJAA CSCCCN(C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12470691 ZQDOIYLXFJTPPZ-GOSISDBHSA-N 388.543 4.645 0 50 GJAA COc1cccc(C[C@@]2(CO)CCCN(Cc3c(C)[nH]c4ccc(C)cc34)C2)c1 20454207 YIGNJQRTZMPWHA-VWLOTQADSA-N 392.543 4.611 0 50 GJAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(OC(F)F)c(OC)c3)nc21 20616029 YABKPCHNMGFWNX-UHFFFAOYSA-N 387.308 4.747 0 50 GJAA Cc1nc([C@H](C)N2CCN(CC(F)(F)F)CC2)oc1-c1ccc(Cl)cc1 178292608 XSBMIHXLXQSGNM-ZDUSSCGKSA-N 387.833 4.544 0 50 GJAA Cc1oc(-c2cccs2)nc1CC(=O)N1CC=C(c2ccc(F)cc2)CC1 225499387 MYXUNOJFAVYUBE-UHFFFAOYSA-N 382.460 4.709 0 50 GJAA Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2CO1 263617500 OBWPQEVREOOIJN-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA CCCCSCc1cc(C(=O)N2CCC(c3ncncc3C)CC2)oc1C 426383126 KTIRXLMXJXGQCD-UHFFFAOYSA-N 387.549 4.740 0 50 GJAA CC(C)c1nccn1Cc1cccc(NC(=O)c2ccccc2OC2CC2)c1 483699350 QWUGDBGKSOVNOU-UHFFFAOYSA-N 375.472 4.848 0 50 GJAA Cc1cc(CN2CCCC2)cc(-c2ccc(C(=O)N3CCC(F)CC3)cc2)c1 534644164 XTVUZTJAWIUYHK-UHFFFAOYSA-N 380.507 4.832 0 50 GJAA COc1cccc([C@@H]2CCCCN2Cc2ccc(OC)c(Cn3cccn3)c2)c1 670462905 JXHYGMWRDGBZLN-QHCPKHFHSA-N 391.515 4.676 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)N3CC[C@]4(C3)CC4(F)F)cccc2c1=O 845017958 XYNQDPWCVGCJQW-JOCHJYFZSA-N 395.405 4.640 0 50 GJAA CC(C)c1nccc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704302688 AHPHOQHTKOWXAP-VWLOTQADSA-N 399.542 4.537 0 50 GJAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2ccc(OC3CCCC3)nc2)no1 1875259515 XZJCVUXYAWEUDQ-LBPRGKRZSA-N 386.839 4.641 0 50 GJAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)c2ccccc2n3CC)C1 755679 SLDGLVDRWSLZIW-FQEVSTJZSA-N 391.559 4.895 0 50 GJAA CCC(=O)Oc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 804893 XEIGLCLYMYRBMY-KRWDZBQOSA-N 375.424 4.638 0 50 GJAA CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C)cc1 1128781 GHNIUTIBAPTIJX-UHFFFAOYSA-N 380.517 4.621 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 1207145 ZTXIJCZGZHIMCB-UHFFFAOYSA-N 397.272 4.696 0 50 GJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794573 VIGRJFNSOYZCGW-XXHMAFKTSA-N 394.515 4.647 0 50 GJAA COc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 4810662 CYXWBYNYBVSNBZ-UHFFFAOYSA-N 377.284 4.914 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)o1 5441746 DRHQHZPGHGUKBE-LJQANCHMSA-N 379.437 4.717 0 50 GJAA biogenic COc1cc(-c2nc(CN3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)ccc1F 12431546 MXJUYFGJKRZTTI-KRWDZBQOSA-N 388.483 4.625 0 50 GJAA CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 19792391 GFSZMHMXMMNFLL-UHFFFAOYSA-N 391.563 4.543 0 50 GJAA O=C(c1ccc2cccnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67446547 DVEDESPLKZUHOM-LJQANCHMSA-N 387.266 4.755 0 50 GJAA O=C(c1ccc2[nH]ccc2c1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 77354736 PGMUQEUDEIKNPF-UHFFFAOYSA-N 388.446 4.717 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1C[C@H]2CCCCCC[C@H]21 1875262347 SEXRRWRBNXAMEN-SJLPKXTDSA-N 392.528 4.791 0 50 GJAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 1875395956 QVUKIDXWSAQQDR-CUNXSJBXSA-N 388.577 4.601 0 50 GJAA Cc1cc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cnc1N1CCCCC1 2325730262 AEWOQWKQNQHADF-HXUWFJFHSA-N 379.504 4.527 0 50 GJAA O=C(NC(=S)NC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 650490 VSFKUYCXNBXFMT-UHFFFAOYSA-N 389.524 4.839 0 50 GJAA Clc1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 1107350 FQIFHHCFBDKBBY-UHFFFAOYSA-N 377.879 4.694 0 50 GJAA CC(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c1C 1158986 GTWDRHBJOMEOJT-UHFFFAOYSA-N 380.293 4.852 0 50 GJAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(I)cc1 1178933 GEKRVKQLQVRDBK-GFCCVEGCSA-N 397.281 4.552 0 50 GJAA O=P1([C@@H](Nc2ccc(O)cc2)c2ccc(Br)cc2)OCCCO1 2810171 NNCJCLOFCUEUJV-MRXNPFEDSA-N 398.193 4.895 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 2891225 CNQWQVVAYOEEPJ-DHIUTWEWSA-N 375.468 4.758 0 50 GJAA CC(C)=CCN1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 11879413 BFKFFOHMCICRQA-UHFFFAOYSA-N 390.955 4.822 0 50 GJAA COC1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 12207406 PVGLKSMOZUMSNS-UHFFFAOYSA-N 375.516 4.767 0 50 GJAA O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCCCC1 12209907 SXHIONGZWMFJOZ-UHFFFAOYSA-N 379.407 4.708 0 50 GJAA CC(C)c1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1 12433606 AJNDVDDHLSLTTB-HNNXBMFYSA-N 379.426 4.647 0 50 GJAA COc1cccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1OC 15011257 UNTDHJFRCRWERT-GDNBJRDFSA-N 375.833 4.598 0 50 GJAA Cc1nc(C)c(C(=O)Nc2ccccc2/C=C/c2ccc3cccc(O)c3n2)o1 55061004 QUIWUCWNDFHDQM-ZRDIBKRKSA-N 385.423 4.968 0 50 GJAA COc1ccc(-n2ccnc2CN(Cc2cccnc2)Cc2ccsc2)cc1 55072928 VVMYOIHZRZJAFO-UHFFFAOYSA-N 390.512 4.540 0 50 GJAA CCc1[nH]c2c(CNc3ccc(C(=O)N4CCCCC4)cn3)cc(C)cc2c1C 71721590 PKSNKZOVIZCQHW-UHFFFAOYSA-N 390.531 4.980 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC(F)CC2)cc1 72438721 FAEAGGIYTNJZFX-UHFFFAOYSA-N 383.442 4.621 0 50 GJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 139355920 SQFALPKIUAOVMZ-SAUGFPQOSA-N 394.359 4.851 0 50 GJAA Cc1cccc([C@@H]2CCCN2C(=O)NCc2nnc(-c3ccccc3)s2)c1 153265743 IRBPOKLBOGXDFS-SFHVURJKSA-N 378.501 4.560 0 50 GJAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1O 177406878 LUFOSBWIWVSZLD-FQEVSTJZSA-N 391.471 4.512 0 50 GJAA CC(C)CO[C@@H](C)c1noc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 225428874 YAQOACOIMOMLOP-JTQLQIEISA-N 382.342 4.539 0 50 GJAA COc1ccc(CNC(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1 263587173 CZGXHNJECNLYJW-SFHVURJKSA-N 383.879 4.707 0 50 GJAA Cc1noc([C@@H](NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)C)n1 334161733 DWKGMJMVZHCRIA-IBGZPJMESA-N 399.878 4.738 0 50 GJAA Cc1nnc(SCC(=O)N(CCC2=CCCCC2)Cc2ccc(F)cc2)o1 952962238 CPFUUNDJVQZDDH-UHFFFAOYSA-N 389.496 4.529 0 50 GJAA C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc(OCCn2ccnc2)c1 2325725427 DZSODMPVGLJZCQ-IBGZPJMESA-N 377.488 4.560 0 50 GJAA CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc(-c3ccc(C)c(C)c3)s2)C12CCC2 2325826487 CFSUTWWVKPRZIP-MOPGFXCFSA-N 384.545 4.847 0 50 GJAA C[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc(F)cc1 636180 PRMUOPPQXHQEHR-HNNXBMFYSA-N 391.421 4.854 0 50 GJAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccccc2Cl)cc1 1050159 MYWGCNSGTANONV-IAGOWNOFSA-N 384.863 4.508 0 50 GJAA COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OCc1ccccc1 4867330 CNCGUHMIZVXHAU-UHFFFAOYSA-N 397.858 4.945 0 50 GJAA COC(=O)c1c(NC(=S)NC2CCCCCC2)sc2c1CC[C@H](C)C2 6202337 MZNPZUHBUSLFBV-LBPRGKRZSA-N 380.579 4.669 0 50 GJAA O=C(NCc1ccco1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 20616914 IGSBFNJGCJWSKT-UHFFFAOYSA-N 391.374 4.629 0 50 GJAA Cc1cc(C)cc(NC(=O)c2ccn([C@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)c1 20617001 PONRPLUELRQACS-GOSISDBHSA-N 390.487 4.569 0 50 GJAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N(c1ccccn1)C1CCCC1 124962190 KFMOTYXOVAMBNC-UHFFFAOYSA-N 380.879 4.819 0 50 GJAA Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1-c1ncco1 151969886 CTNWIUXSIRAYTB-MRXNPFEDSA-N 397.862 4.989 0 50 GJAA O=C(c1ncoc1-c1ccccc1Cl)N1CCC(Nc2ccccc2F)CC1 170640958 YZWSLIFRKFOYOL-UHFFFAOYSA-N 399.853 4.851 0 50 GJAA O=C(c1cc2ccccc2o1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 176757032 YTUGPGRDWBTNFG-GOSISDBHSA-N 375.346 4.665 0 50 GJAA CN(Cc1cc(C2CC2)on1)C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 426545473 UFUITBUGGLEZBR-UHFFFAOYSA-N 375.472 4.557 0 50 GJAA O=C(Nc1cccc(CN2CC[C@@]3(CCCOC3)C2)c1)c1ccc(Cl)cc1 793621513 XFQOBWUWTXPQNM-QFIPXVFZSA-N 384.907 4.595 0 50 GJAA O=C(c1ccccc1)N1CCC(NCC[C@H](c2ccccc2)c2ccco2)CC1 828177805 AFJXOHQFHTUALV-HSZRJFAPSA-N 388.511 4.696 0 50 GJAA O=C(O)c1sc2ccccc2c1CN1CCC([C@@H](O)c2ccccc2)CC1 846235137 SWWRSCLAUORDHC-FQEVSTJZSA-N 381.497 4.545 0 50 GJAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2C(F)(F)F)c1 952968046 AIZNQECBAKCFMS-IBGZPJMESA-N 391.433 4.764 0 50 GJAA CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc3ccccc23)cc1 1460184537 NUTKHILBIYTESD-UHFFFAOYSA-N 381.497 4.974 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)[C@H](Sc1ccccc1)c1ccccc1 689346 QYCATRKWLZNVGZ-OAQYLSRUSA-N 377.465 4.930 0 50 GJAA CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC 1065461 FZFLDJHBSWIHBL-UHFFFAOYSA-N 378.266 4.807 0 50 GJAA CCOc1ccc2nc(SCCC(=O)Nc3ccc(OC)cc3)sc2c1 1175945 NWHYXQONVRSHIE-UHFFFAOYSA-N 388.514 4.825 0 50 GJAA COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCCCC2 4628667 IANBCBGMGLMSSI-SDNWHVSQSA-N 399.512 4.854 0 50 GJAA C[C@@H](CCN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1)c1ccccc1 11913685 UOKLAXQCSHMGJM-UQBPGWFLSA-N 388.511 4.552 0 50 GJAA Cc1ccccc1-c1cn2c(C(=O)N(C)[C@H](C)c3ccccn3)csc2n1 12316983 YVXKZCGNEBZEGZ-OAHLLOKOSA-N 376.485 4.599 0 50 GJAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 17081215 LXULDCFXHOSSLS-GHMZBOCLSA-N 397.283 4.722 0 50 GJAA c1ccc(C2=C(CN3CCOCC3)[C@H](c3ccccc3)c3ccccc3O2)cc1 22343298 VCCOGMNFGVUCRB-RUZDIDTESA-N 383.491 4.954 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1nccn1C(C)C)CCO2 67713267 JQDLTIMQAFQSKB-UHFFFAOYSA-N 377.488 4.540 0 50 GJAA Cc1ccc2cc(C3(O)CCN(Cc4ccc(C)c(F)c4F)CC3)ccc2n1 67847067 FQHJTQSICATOSD-UHFFFAOYSA-N 382.454 4.613 0 50 GJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2c(C)[nH]c3c2C(=O)CCC3)C1 71753863 QGANFCQANYGWPP-SFHVURJKSA-N 378.516 4.636 0 50 GJAA O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCCn2cncc2C1 72473258 CNRCYQSTWOGJLV-UHFFFAOYSA-N 390.874 4.731 0 50 GJAA CCc1cccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)c1 91943435 XGKXJLXYICZCKX-QHCPKHFHSA-N 385.552 4.532 0 50 GJAA Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 122145536 BSZGSOCUJQWOSC-UHFFFAOYSA-N 382.395 4.618 0 50 GJAA Cc1ccc(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1-c1ncco1 151969802 CTNWIUXSIRAYTB-INIZCTEOSA-N 397.862 4.989 0 50 GJAA Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4nc(C)c(C)o4)c3)CC2)nc1 194185056 BLIJPGLENXEDTH-UHFFFAOYSA-N 390.487 4.517 0 50 GJAA O=C(Nc1nncs1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 225500500 CSOOPMCWGGZTSP-QBFSEMIESA-N 388.452 4.809 0 50 GJAA CC(C)C[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cccc1 888104955 SCEYKNBMAZNFNJ-IBGZPJMESA-N 383.467 4.762 0 50 GJAA Cc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)n1 641135 YCCLSUGMKZHUHP-UHFFFAOYSA-N 394.041 4.954 0 50 GJAA COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 2189046 MNGCYDLCKBXSBD-OAQYLSRUSA-N 377.469 4.685 0 50 GJAA aggregator O=C(Nc1ccc(-c2noc(COc3ccccc3)n2)cc1)c1ccc(F)cc1 6701926 BFOBVAYZMAACGO-UHFFFAOYSA-N 389.386 4.707 0 50 GJAA CCc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 8688115 JHYVTHYQWGTUHI-UHFFFAOYSA-N 378.303 4.910 0 50 GJAA Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncnc(NCc3cccc(F)c3)c12 11839271 YRLHCQHHNIPDJX-ZDUSSCGKSA-N 398.507 4.766 0 50 GJAA Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3csc(C)n3)C2)c1 12163160 VGYMLWZRCDFUMK-SFHVURJKSA-N 392.528 4.545 0 50 GJAA CC(C)CN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 20668534 KBEYVLUSKJCJHA-UHFFFAOYSA-N 376.504 4.536 0 50 GJAA c1ccc2c(c1)C[C@H]1OC(C3(C4=N[C@H]5c6ccccc6C[C@H]5O4)CCCC3)=N[C@@H]21 59112141 IUZHBHBWSAWDRX-CZYKHXBRSA-N 384.479 4.736 0 50 GJAA CCOC(=O)c1c(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c(C)cc1=O 72446965 AGKLJYRULSSWNK-UHFFFAOYSA-N 395.886 4.626 0 50 GJAA Cc1c(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)n(C)c2c(C)cccc12 95370116 CPEKURPTNGFBKO-GOSISDBHSA-N 378.520 4.592 0 50 GJAA Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc2)c1 183063621 JNBNCCNZJHOUEQ-IBGZPJMESA-N 377.448 4.665 0 50 GJAA CCC(=O)c1cccc(-c2cccc(C(=O)N(C)[C@H]3CCOC(C)(C)C3)c2)c1 426628737 INUYRSHTHOLBGP-NRFANRHFSA-N 379.500 4.976 0 50 GJAA C[C@H](NC(=O)N[C@H]1COc2cccc(F)c21)c1ccc(Oc2cccnc2)cc1 1875258265 XCNDRFMHLJAHLN-LIRRHRJNSA-N 393.418 4.507 0 50 GJAA CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1nccn1Cc1ccccc1 2325748273 WPWJFSSRKIRFDC-HSZRJFAPSA-N 399.494 4.731 0 50 GJAA O=C(Cn1c(=O)sc2ccccc21)OCc1ccc(Oc2ccccc2)cc1 632900 DLUONDRYWUSMOH-UHFFFAOYSA-N 391.448 4.599 0 50 GJAA Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 860964 PBTRTLZZZRBTSX-UHFFFAOYSA-N 378.284 4.976 0 50 GJAA O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1115377 HCYBZCNHUBJKLP-BQYQJAHWSA-N 394.824 4.721 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1ccc2c3c(cccc13)CC2 1167536 GNFMUBQPWYENHH-UHFFFAOYSA-N 382.257 4.718 0 50 GJAA COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 1180285 YTLLSUBGPURCRB-UHFFFAOYSA-N 392.846 4.643 0 50 GJAA CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1 3000174 QZELWQXXIXSDCQ-UHFFFAOYSA-N 376.294 4.555 0 50 GJAA COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1OC 4365118 NPCBRHWKTKGKNJ-FYWRMAATSA-N 399.450 4.828 0 50 GJAA Brc1ccccc1-c1nnc2sc(/C=C/c3ccccc3)nn12 4664999 RJNBWOCZLQCUHV-ZHACJKMWSA-N 383.274 4.786 0 50 GJAA CCOc1cc(-c2n[nH]c(=S)n2CCc2ccccc2)ccc1OC(F)F 8477916 BUZZBMXUVSXCAH-UHFFFAOYSA-N 391.443 4.850 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N4CCc5ccccc5C4)csc3n2)c1 12316491 OZSQUPFZERMDCV-UHFFFAOYSA-N 387.508 4.878 0 50 GJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccon4)CC3)cc2)c1 12440053 JUIGHAHOAAJXAL-UHFFFAOYSA-N 375.472 4.501 0 50 GJAA CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cs1 12757163 LLTIHWFBDPVCSI-LJQANCHMSA-N 385.529 4.833 0 50 GJAA COc1cccc(C[C@]2(CO)CCCN(Cc3[nH]c4ccc(C)cc4c3C)C2)c1 13593411 FLBXKEKDPVBZPV-RUZDIDTESA-N 392.543 4.611 0 50 GJAA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 21487224 HSKDHXQMROJTBD-HNNXBMFYSA-N 392.113 4.556 0 50 GJAA C[C@H](CCc1ccc(O)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23283191 QJGIXBOFVQTVOA-MRXNPFEDSA-N 378.438 4.554 0 50 GJAA Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c1 55254522 XIVYSLHGKXUJTD-GOSISDBHSA-N 379.529 4.646 0 50 GJAA Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(N2CCCC2)n1 64800841 HXZHRKCNLIBZPB-UHFFFAOYSA-N 391.450 4.520 0 50 GJAA O=C(Nc1ccccc1OCc1ccccc1)N1CCCC2(CCOCC2)C1 95517379 KFGISOFZDXRKCG-UHFFFAOYSA-N 380.488 4.690 0 50 GJAA CN(C(=O)c1ccncc1Cl)[C@@H]1CCSc2ccc(Br)cc21 170646500 YELYIFXETCGQOJ-CQSZACIVSA-N 397.725 4.807 0 50 GJAA CC(C)(O)c1cccc(NC(=O)Nc2ccc(SCCN3CCCC3)cc2)c1 844795633 QYHHYDXRMVXVTP-UHFFFAOYSA-N 399.560 4.746 0 50 GJAA CC(C)(CO)N(Cc1ccncc1)C(=O)Nc1ccccc1Oc1ccccc1 1506398840 GPJUWFSRYYRPOU-UHFFFAOYSA-N 391.471 4.679 0 50 GJAA O=C(C1CC1)N1CCC[C@H](c2nc(-c3ccoc3)nn2CCC2CCCCC2)C1 1875348514 UDFRWBQTHPSRRN-IBGZPJMESA-N 396.535 4.625 0 50 GJAA O=C1CCc2cc(NCc3c[nH]nc3-c3cccs3)ccc2N1CC1CCC1 2325744568 RUSDLCANZKFARA-UHFFFAOYSA-N 392.528 4.830 0 50 GJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 1186256 JJLJNIPLXXBHGX-UHFFFAOYSA-N 388.448 4.987 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)Nc1ccccc1-2 2916015 JVMYDJVUXPAKGS-LJQANCHMSA-N 394.500 4.943 0 50 GJAA O=C(NC1CCCCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 13786364 VDEGLBPHGBMXDW-HKWRFOASSA-N 382.891 4.560 0 50 GJAA O=c1cc(-c2ccc(F)cc2)nc(-c2ccccc2CN2CCCCCC2)[nH]1 23506538 QKKXEMIVTBXMBS-UHFFFAOYSA-N 377.463 4.619 0 50 GJAA Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216743 FMUSOTATNVSDQU-UHFFFAOYSA-N 391.862 4.509 0 50 GJAA CCc1cc([C@@H](C)n2cnc(-c3ccccc3)c2-c2[nH]c(CC)nc2C)on1 67472819 ZWTMPCBMQMWFDA-OAHLLOKOSA-N 375.476 4.971 0 50 GJAA CC(C)C[C@@H](C)N(C(=O)c1cccc2c1oc(=O)n2C)c1ccc2[nH]ccc2c1 130772147 NJNIXHGFHQIKOM-OAHLLOKOSA-N 391.471 4.694 0 50 GJAA CCc1noc(CC)c1CNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 132995936 UYDAPCLZHMETPX-UHFFFAOYSA-N 395.425 4.692 0 50 GJAA O=C(CC/C(=C/c1ccco1)c1nc2ccccc2s1)N[C@H]1CCC[C@@H](O)C1 2325722195 OUVODXQYRZWLRI-LSLWIEAESA-N 396.512 4.630 0 50 GJAA COc1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 1020370 ZCIYDIOIEKRGJT-BJKOFHAPSA-N 387.483 4.606 0 50 GJAA biogenic O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccco1 1104848 UHESUDGAWUULJW-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA Cc1cccc(OCCn2c(NC(=O)c3cccc(F)c3)nc3ccccc32)c1 1112161 LYWWGQKUNVICGT-UHFFFAOYSA-N 389.430 4.815 0 50 GJAA CCC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 1141617 PCWKUDYGXVJIFD-UHFFFAOYSA-N 385.423 4.798 0 50 GJAA CCCCOc1cccc(C(=O)Nc2ccc(I)cc2)c1 2052401 MYTJPYLTRAMCLQ-UHFFFAOYSA-N 395.240 4.722 0 50 GJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 4113409 DMYQVDLOVKDOSO-UHFFFAOYSA-N 379.456 4.841 0 50 GJAA CC[C@@H](NC(=O)CSc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 4171372 DIVWWXLTYOBLAJ-FRXJQHJJSA-N 383.561 4.766 0 50 GJAA COc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)O)cc1 4844299 GNVGVQKXDRKVIJ-UHFFFAOYSA-N 381.453 4.693 0 50 GJAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)N(C1CCCCC1)C1CCCCC1 6660637 RFDXZPGZGWHWPC-JOCHJYFZSA-N 385.548 4.902 0 50 GJAA O=C(Nc1ccnn1C1CCN(C[C@@H]2CC=CCC2)CC1)c1ccccc1Cl 11842916 PMXJASGICOGFEV-QGZVFWFLSA-N 398.938 4.782 0 50 GJAA COC1CCN(Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 12111878 GPRVAYVCKIJZMF-UHFFFAOYSA-N 399.535 4.968 0 50 GJAA CN(Cc1cccc2cccnc12)CC1CCN(CCc2ccccc2F)CC1 14950893 PXEKTHSAAQRWBC-UHFFFAOYSA-N 391.534 4.760 0 50 GJAA COc1cccc(NC(=O)CCC2CCN(CCCc3ccccc3)CC2)c1 14977460 PJXBWSBPFQWABH-UHFFFAOYSA-N 380.532 4.759 0 50 GJAA O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(F)c(Cl)c1 18180707 NSHLBLOFOJXXOT-UHFFFAOYSA-N 397.262 4.648 0 50 GJAA Cc1nn2c(NC[C@H]3CCCO3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799310 WGSWPDBZGXKXGT-QGZVFWFLSA-N 382.483 4.732 0 50 GJAA O=c1c(Cc2ccccc2)nc2c(-c3ccccc3)[nH]c(-c3ccccc3)cn1-2 33369600 HYQVAZNNCBIZSK-UHFFFAOYSA-N 377.447 4.923 0 50 GJAA CC(=O)N1CCc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c21 151475406 QHELNVPGRXGIEQ-UHFFFAOYSA-N 380.444 4.716 0 50 GJAA CN(C(=O)c1ccncc1Cl)[C@H]1CCSc2ccc(Br)cc21 170646502 YELYIFXETCGQOJ-AWEZNQCLSA-N 397.725 4.807 0 50 GJAA CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)n1 226441589 AGPNLNWYOUSSOT-YBCDCHDQSA-N 378.516 4.519 0 50 GJAA CC1(C)[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2CCO[C@H]21 230274714 LNXHTOWHCPROHB-JHJVBQTASA-N 396.331 4.659 0 50 GJAA CC(C)C(=O)Nc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 726441097 QIQJVEZXAXMUPM-UHFFFAOYSA-N 395.450 4.787 0 50 GJAA CC(C)c1ncncc1C(=O)OCc1ccc(OCc2ccc(F)cc2)cc1 920529915 UIHUIIWPSNZJIM-UHFFFAOYSA-N 380.419 4.675 0 50 GJAA Cc1cc(C(=O)N2CCC(C)(c3nc4ccccc4s3)CC2)c2n[nH]cc2c1 1875256468 VBZMQCDIQOXSBI-UHFFFAOYSA-N 390.512 4.675 0 50 GJAA O=C(N[C@H](CC1CCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 621924 HIJAUEZBPWTKIV-JOCHJYFZSA-N 393.483 4.949 0 50 GJAA biogenic CCn1c([C@@H](O)c2ccc(OCc3ccccc3)c(OC)c2)nc2ccccc21 860982 ATEKTYMXBNZHIN-QHCPKHFHSA-N 388.467 4.726 0 50 GJAA CC[C@@H](Oc1cccc(NC(=O)c2cccc(OC)c2)c1)C(=O)c1ccccc1 993001 AUJAYJRNZMQXQN-JOCHJYFZSA-N 389.451 4.988 0 50 GJAA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccc(C)c(Cl)c2)cc1 1019195 UDDWVBSEDUPELZ-FQEVSTJZSA-N 382.847 4.601 0 50 GJAA O=C(Nc1ccc(I)cc1)/C(Cl)=C/c1ccccc1 1087143 KKLNCCUHMSQIFH-UVTDQMKNSA-N 383.616 4.510 0 50 GJAA Clc1cccc(OCc2nc(-c3ccc(Br)o3)no2)c1Cl 4686670 KGXHFNKOPVTCEJ-UHFFFAOYSA-N 390.020 4.978 0 50 GJAA Cc1cccc(-c2noc(CN(C(=O)Cc3ccc(Cl)cc3)C(C)C)n2)c1 6736955 OFZKHXVDAFFSJW-UHFFFAOYSA-N 383.879 4.678 0 50 GJAA COc1ccc(-c2noc(CN3CCC(Sc4ccc(C)cc4)CC3)n2)cc1 12467906 IVPTXPVFLKSGOL-UHFFFAOYSA-N 395.528 4.810 0 50 GJAA CC(C)N(CCO)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 14972947 CWIKYFDPBQOFMN-UHFFFAOYSA-N 389.499 4.547 0 50 GJAA CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 15822412 PGEHCTQVPUQBQP-PJYWLYPCSA-N 397.449 4.571 0 50 GJAA COc1ccc(-c2nc(CN3CCC([C@@H](O)CC(C)C)CC3)c(C)o2)cc1C 19799983 MDVJNRMXFNGERI-NRFANRHFSA-N 386.536 4.586 0 50 GJAA COc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)c2ccccc12 22109450 MISMDCMGDFVKGF-UHFFFAOYSA-N 380.919 4.820 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(c2cnc4ccccc4n2)CCO3)s1 67490570 NWEMIGVNCFBCIY-UHFFFAOYSA-N 389.480 4.771 0 50 GJAA C[C@@H](c1ccncn1)n1cnc(-c2ccccc2)c1-c1cccn1-c1nccs1 67642506 OQDMVVHKHOGXJB-INIZCTEOSA-N 398.495 4.864 0 50 GJAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 95374686 ADBXLJBPJOTGOT-SFHVURJKSA-N 375.516 4.987 0 50 GJAA COc1ccc([C@@H](NC(=O)N(C)Cc2ccccc2Cl)C(F)F)cc1F 252507453 WMDSYXWWUKKSTA-MRXNPFEDSA-N 386.801 4.636 0 50 GJAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 736116012 DMFFXBAXDGTVKS-XRGWJIAJSA-N 389.495 4.934 0 50 GJAA Cc1sc(NC(=O)c2nnc3c(F)cccc3c2O)nc1C1CCCCC1 2325842835 JWDOMYFAKHNZNG-UHFFFAOYSA-N 386.452 4.539 0 50 GJAA CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc2ccccc12 625045 KCOOFYQJMMSUIZ-UHFFFAOYSA-N 377.440 4.872 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 823525 AGRPSXWHMDRNFP-KRWDZBQOSA-N 397.302 4.887 0 50 GJAA COc1ccc(OC)c(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1 1002391 OXYPOQKHRJIKDZ-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA CC(C)Cc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 1795908 DDLUOKQQYABEFO-UHFFFAOYSA-N 388.320 4.841 0 50 GJAA C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CC1(Br)Br 2322849 HPWXIQNJBDNUCU-AWEZNQCLSA-N 383.083 4.674 0 50 GJAA CC[C@]1(C)Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2867408 PEXQWFALWLFQCF-HXUWFJFHSA-N 385.558 4.850 0 50 GJAA O=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21 6231088 XPKGPGSOCOZATR-UHFFFAOYSA-N 388.496 4.627 0 50 GJAA O=C(NCc1cccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 6403067 GVEJHFSZOYGCRF-UHFFFAOYSA-N 379.872 4.942 0 50 GJAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cccc2c(-c3ccccc3)ccnc12 8323659 BCTYQXILTCOHBZ-OALUTQOASA-N 388.854 4.924 0 50 GJAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2)n1 11937857 NXBUMAUHKVHGEJ-QHCPKHFHSA-N 385.442 4.798 0 50 GJAA COc1ccccc1NC(=O)[C@@H]1CC12CCN(CC[C@@H](C)c1ccc(C)o1)CC2 12133386 NHAWIMIHFZOBHP-MJGOQNOKSA-N 396.531 4.831 0 50 GJAA COc1ccc(-n2ccc(-c3sc(NCc4cccs4)nc3C)n2)cc1 12279848 DIIAPGXPBZXXET-UHFFFAOYSA-N 382.514 4.986 0 50 GJAA CSc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)cc1 12439089 HMXGHYPMLPTBOS-UHFFFAOYSA-N 375.965 4.879 0 50 GJAA COc1ccccc1/C=C/CN1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 12571691 KXVILSQYWCNIOH-QPGLYAHGSA-N 396.506 4.978 0 50 GJAA O=C(Nc1ccccc1)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 13788096 QECCCMSZUYHTIT-UHFFFAOYSA-N 397.482 4.696 0 50 GJAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(CCc2ccccc2)no1 14995348 OLNQLASZATWHMU-UHFFFAOYSA-N 378.516 4.748 0 50 GJAA CCOC(=O)c1cnc2c(Br)cc(Br)cc2c1Cl 49183969 LWSQWKWOGDFWDY-UHFFFAOYSA-N 393.462 4.590 0 50 GJAA CCC[C@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1 63883894 GGPTWGWAGVHYJI-KRWDZBQOSA-N 376.504 4.514 0 50 GJAA COc1cccc(F)c1-c1c(-c2ccccc2)ncn1[C@@H](C)c1cnn(C)c1 65455044 ONLRVEZRKCHVLO-HNNXBMFYSA-N 376.435 4.708 0 50 GJAA CC(=O)N[C@H]1C[C@@H](c2cnc(-c3cccc(C)c3)nc2)O[C@@H](c2ccccc2)C1 65491360 LREYADDCOKJHNW-ZLNRFVROSA-N 387.483 4.550 0 50 GJAA COc1ccccc1CC(=O)c1cn(C[C@@H]2CCCCN2C)c2ccccc12 199842699 AJSBNWAHEDVQJT-IBGZPJMESA-N 376.500 4.560 0 50 GJAA in-vitro Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1ccc(OC(F)F)cc1 261490541 FZHMAJRAQLBKTO-UHFFFAOYSA-N 386.402 4.553 0 50 GJAA O=C(Nc1ccccc1SC(F)F)N[C@H](CCO)c1ccc(Cl)cc1 806151049 HFXUKPCNRKNQDQ-CYBMUJFWSA-N 386.851 4.900 0 50 GJAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 1857730869 ASZFRLFIHMRIKO-KRWDZBQOSA-N 396.491 4.669 0 50 GJAA O=C(NCCC1=CCCCC1)c1cccc(C(=O)NCCC2=CCCCC2)c1 695684 NWWTTXCMEVQJOM-UHFFFAOYSA-N 380.532 4.927 0 50 GJAA O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1 940065 PEUPPUMBLKHHFX-UHFFFAOYSA-N 390.464 4.787 0 50 GJAA COc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1OC 998851 DEGVEGIKCMPYJW-UHFFFAOYSA-N 376.456 4.591 0 50 GJAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1Br 1004603 VYUJFYLSIIOMOJ-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA CC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1 1068726 XWSIGLCYJMCRDI-UHFFFAOYSA-N 396.494 4.935 0 50 GJAA CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc(F)cc2)cc1 1125254 OIFLEDQBHIIPQZ-SFTDATJTSA-N 383.463 4.876 0 50 GJAA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1 1140092 NSKMQWXPFLICJF-UHFFFAOYSA-N 384.273 4.994 0 50 GJAA Cc1cc(C)cc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 1161077 CESVFIDHJYDIMH-SNDHGLFQSA-N 379.459 4.700 0 50 GJAA O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc(Cl)cc1 1164196 RJTGVSQSZXMAQT-UHFFFAOYSA-N 382.721 4.727 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 1185951 WJKADHDTDRUOAM-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA biogenic COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1cccs1 1191813 HNXPMVVYKMKDJT-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA CCCCSc1nnc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1C 2185522 OFJKSUROKYKIJE-UHFFFAOYSA-N 394.544 4.946 0 50 GJAA aggregator CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881873 PSGAAPLEWMOORI-XNDWCRNRSA-N 386.532 4.655 0 50 GJAA O=C(Nc1ccc2nc(NC(=O)c3cccs3)sc2c1)c1cccs1 4866377 QVBNJIQESRTXTM-UHFFFAOYSA-N 385.495 4.924 0 50 GJAA CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21 4901054 JUXSRXVPINDANM-UHFFFAOYSA-N 394.540 4.756 0 50 GJAA aggregator COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1OC 12049466 NKQHOMVFEXOFCG-HXUWFJFHSA-N 397.515 4.586 0 50 GJAA O=C(CCC1CCN(C(=O)[C@H]2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1 12475135 YNLJRPWGUIEAGS-MRXNPFEDSA-N 392.902 4.627 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cn1 20323451 TVQVVMBBDRTXGV-QHCPKHFHSA-N 386.543 4.548 0 50 GJAA O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 33255234 USVJMZQRZOSQNA-UHFFFAOYSA-N 382.851 4.802 0 50 GJAA CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl 34229401 WPALTCMYPARVNV-UHFFFAOYSA-N 383.879 4.667 0 50 GJAA biogenic,in-vitro CCC[C@H](C)N1CC2(CCN(Cc3ccc(C)c4ncccc34)CC2)OC1=O 72407980 HOLATZHTQDNCLW-SFHVURJKSA-N 381.520 4.519 0 50 GJAA CSc1cccc(CN(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2C)c1 96163892 CVHQXZUXUONQFZ-UHFFFAOYSA-N 385.533 4.519 0 50 GJAA Cc1ccc([C@H]2CCCCN2C(=O)NCc2nnc(-c3ccccc3)s2)o1 153238315 AQDGCZIHWTUUQD-MRXNPFEDSA-N 382.489 4.543 0 50 GJAA COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O 217945633 WDEHJJXEMLVMMB-QGZVFWFLSA-N 392.451 4.804 0 50 GJAA biogenic Clc1ccc([C@@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 263617657 OWPQIJVUBCJDOC-SFHVURJKSA-N 384.867 4.906 0 50 GJAA COc1ccc(NC2(C(=O)N[C@H](c3ccccc3)c3ccco3)CCCC2)cc1 824678508 DSYBCYSOLPKKGJ-JOCHJYFZSA-N 390.483 4.919 0 50 GJAA Cc1cccc([C@@H](C)NC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1C 1311945766 PFGDNDFSZXXHLU-LJQANCHMSA-N 394.515 4.518 0 50 GJAA CCc1c(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)[nH]c2ccccc12 1506408914 NIDKWEOHOFZXAN-LJQANCHMSA-N 388.511 4.784 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C(C)(C)C)C2 643964 VSPRRNUTXXTSGD-LBPRGKRZSA-N 375.490 4.921 0 50 GJAA COC(=O)c1ccc(COc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 957162 ABLFGCIXEPBQBR-UHFFFAOYSA-N 386.403 4.826 0 50 GJAA biogenic O=C(COc1ccc(Cl)cc1Br)Nc1nc2ccccc2s1 1110442 PVGYIGZWQXMDKK-UHFFFAOYSA-N 397.681 4.730 0 50 GJAA COc1ccccc1OCCCCOc1ccc(I)cc1 2904874 PCSTVIOQQRMDFB-UHFFFAOYSA-N 398.240 4.538 0 50 GJAA Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccc(Cl)cc4)sc3c2c1 4939633 KJMNBOUSSYXAFS-UHFFFAOYSA-N 383.856 4.900 0 50 GJAA CC(=O)Oc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 5059435 QOXNAJZYVSCGHT-DTQAZKPQSA-N 397.434 4.736 0 50 GJAA Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)c(Cl)c1 5064117 RVVFLLXPMSYIOX-QGZVFWFLSA-N 388.817 4.682 0 50 GJAA CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc2ccccc12 7720697 HPRXIJWSWMFWLU-UHFFFAOYSA-N 387.439 4.561 0 50 GJAA Cc1ccccc1C[C@]1(CO)CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 11753991 ANZPQGUDKSMGEM-JOCHJYFZSA-N 386.923 4.806 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@H]1CO 11948552 ZTFPGSSIUBRTAC-IBGZPJMESA-N 378.472 4.789 0 50 GJAA COc1cccc(C[C@@]2(CO)CCCN(Cc3ccccc3-c3ccco3)C2)c1 12298929 BIYPQECYHGGIJC-VWLOTQADSA-N 391.511 4.772 0 50 GJAA O=C(O)c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1Cl 25763557 BJNIGJLNKCHXGG-UHFFFAOYSA-N 377.625 4.653 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1COc1ccc(N2CCOC2=O)cc1 67867058 GTMOOAOJJGVQLR-UHFFFAOYSA-N 384.819 4.839 0 50 GJAA CCOC(=O)C(=CNc1cc(Cl)c(-c2ccco2)c(Cl)c1)C(=O)OCC 100645284 NNVFXRGZDQRDBI-UHFFFAOYSA-N 398.242 4.675 0 50 GJAA Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c1 117559116 REPJOTWQCSHRBG-UHFFFAOYSA-N 388.240 4.643 0 50 GJAA C[C@H](NC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 1311523287 HAGBZPYPFIESKR-ZRGWGRIASA-N 386.540 4.546 0 50 GJAA C[C@@H](NC(=O)Nc1ccc(Nc2ccccc2)cn1)c1cccc(-n2ccnc2)c1 1875309308 GPSZLEALKKOBEY-QGZVFWFLSA-N 398.470 4.894 0 50 GJAA COc1cccc(-c2nc(CC(=O)N[C@@H]3CCCc4ccccc43)cs2)c1 2325724242 HJALXHGBMFPTBG-HXUWFJFHSA-N 378.497 4.555 0 50 GJAA O=C(N[C@H](CC1CCCC1)c1ccccc1)c1nnc2c(F)cccc2c1O 2325842822 JNRVAWKVRZJKKG-GOSISDBHSA-N 379.435 4.526 0 50 GJAA CC[C@@H](C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 1127761 UKQUTOIQDBEOMG-MRXNPFEDSA-N 387.892 4.903 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 1158852 RAMRHFGTWHMGPU-QGZVFWFLSA-N 390.270 4.568 0 50 GJAA CCc1ccc(Nc2nnc(-c3cc4cc(OC)ccc4oc3=O)s2)cc1 1167727 JDEXQKGDDPCIDN-UHFFFAOYSA-N 379.441 4.626 0 50 GJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2 1207103 OEQSNOBFDNFXRX-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3914814 DXOCDBGWDZAYRQ-AURDAFMXSA-N 390.564 4.686 0 50 GJAA in-vitro CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Br)cc1 5063210 BBCVTRDVGUNPQH-KRWDZBQOSA-N 377.669 4.800 0 50 GJAA CCn1nc(C)c(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)c1C 12167313 QHNXDUIZOIXQEO-GOSISDBHSA-N 397.954 4.943 0 50 GJAA CN(C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)C(C1CC1)C1CC1 12715160 FSXRQFSEYMSZOM-FQEVSTJZSA-N 377.484 4.584 0 50 GJAA Cc1ncc(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)s1 71757014 SKYOONJZGCGQEU-CQSZACIVSA-N 382.451 4.955 0 50 GJAA Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl 170646503 MDEDSOFFSLPNNH-SNVBAGLBSA-N 375.856 4.797 0 50 GJAA CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 328592424 FEAIVFFTPIUDPU-NRFANRHFSA-N 391.442 4.918 0 50 GJAA O=C1CCCc2cc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)ccc2N1 758243415 ZBZVKLWLUARDHH-LJQANCHMSA-N 391.471 4.529 0 50 GJAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc3ccccc23)NC(=O)N1 706475 ZWTIHMWHBJYSPJ-NRFANRHFSA-N 378.472 4.734 0 50 GJAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 758024 QCDANHKJUPAPSY-QHCPKHFHSA-N 381.560 4.813 0 50 GJAA COc1ccccc1N[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 971151 BWLAWKJBJUWTRM-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA COc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5s4)cc3C2=O)cc1 1117452 UPHSRIFUKVILQR-UHFFFAOYSA-N 386.432 4.773 0 50 GJAA COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 1424226 WWODMUHSIJBPDI-NQIIRXRSSA-N 390.464 4.777 0 50 GJAA COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl 4842254 RCYKISKQAAQNHH-NSHDSACASA-N 384.259 4.725 0 50 GJAA Cc1nc2sccn2c1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 12433507 TVULBWFUCXRMIZ-GOSISDBHSA-N 382.533 4.544 0 50 GJAA c1ccc(N2CCC3(CCCN3Cc3ccc([C@@H]4CCCCO4)o3)CC2)nc1 72421292 JIPAPGYFJHAABU-FQEVSTJZSA-N 381.520 4.551 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 92028619 KFLZEWQIPHJMNE-UHFFFAOYSA-N 377.463 4.729 0 50 GJAA CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl 170612696 AEEZDIWKMDZAAN-GOSISDBHSA-N 393.874 4.985 0 50 GJAA CCc1ccc([C@H](CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)N(C)C)cc1 221970566 HKICEHQDALVCMI-MERSPSMRSA-N 388.983 4.546 0 50 GJAA O=C(NCc1cc(C(F)(F)F)ccc1F)N1CCCC[C@@H]1c1cccnc1 426379715 LVKSCLJDPYMSKB-QGZVFWFLSA-N 381.373 4.676 0 50 GJAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1cc(CN2CCCC2)cs1 822275532 AZCTVXWMESWCOM-KRWDZBQOSA-N 380.561 4.927 0 50 GJAA CN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)C1CCCCC1 815258 LZPHXKVYQABXEK-UHFFFAOYSA-N 384.430 4.739 0 50 GJAA O=C(Nc1cccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 1070961 IHSRXQWBINZWEW-UHFFFAOYSA-N 391.434 4.711 0 50 GJAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 2269062 DNMHXQFGAMZPRE-UHFFFAOYSA-N 385.695 4.521 0 50 GJAA Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)c1ccccc1F 2760950 TZVMSRKJZGGNKY-UHFFFAOYSA-N 375.806 4.732 0 50 GJAA CCCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 2844864 BCNZMDHUECDYJZ-ATVHPVEESA-N 386.245 4.582 0 50 GJAA CCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)s1 6710267 HEFHYLWMJZCZLN-UHFFFAOYSA-N 386.904 4.652 0 50 GJAA O=C(NCCc1ccccc1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 6829474 DUZREYOXKJXCHB-UHFFFAOYSA-N 387.870 4.923 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1 11821862 IBKNCLHXLJMFNE-QFIPXVFZSA-N 381.564 4.944 0 50 GJAA Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c2ccccc2n1 14582776 KALPZBIJEKOVTC-UHFFFAOYSA-N 392.509 4.939 0 50 GJAA CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 43020375 WATNXVHKRRTUFK-UHFFFAOYSA-N 379.504 4.867 0 50 GJAA in-vivo O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67884253 HSAGSNQDGQUPAF-IBGZPJMESA-N 387.266 4.755 0 50 GJAA CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 239331302 KLOBRRLODJPCDR-JVYGEBFASA-N 385.551 5.708 0 50 GJAA COC(=O)c1ccc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)cc1 242649012 RRDRXWGBAPJIMR-NBCNXNJRSA-N 382.456 4.636 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 253499258 DPBGWNOQXKBDCB-HKHBUPFLSA-N 376.537 4.704 0 50 GJAA biogenic Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)c(C)c1 676416 WIVOGBLUSYOGJZ-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA CCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F 1084430 UDXRCULMWYBXQF-UHFFFAOYSA-N 397.194 4.729 0 50 GJAA O=S(=O)(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl 1135154 VUDLGKMUOKOMQN-UHFFFAOYSA-N 399.068 4.696 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)oc2c1 2979532 WZWIRYURYCQKJL-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA CN(Cc1ccsc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 11815303 XAIHRGRIASGPBB-UHFFFAOYSA-N 375.497 4.943 0 50 GJAA COc1cc(-c2cccs2)cc2c1OCCN(C(=O)c1ccccc1F)C2 12181857 JMPWSFFEAXVDGM-UHFFFAOYSA-N 383.444 4.598 0 50 GJAA Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NCc3ccco3)c12 12245462 HCMUJOBWYNDBJA-UHFFFAOYSA-N 396.516 4.825 0 50 GJAA CCOc1ccccc1CN1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 12710448 KTVWWAPCFKYYJK-UHFFFAOYSA-N 398.522 4.533 0 50 GJAA O=C(Cc1ccc(-c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 15564729 SLAFBAGJEVMCMT-UHFFFAOYSA-N 384.523 4.677 0 50 GJAA O=c1[nH]c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12 18087975 RCTGWXBNCKSHOO-UHFFFAOYSA-N 398.491 4.613 0 50 GJAA Fc1ccc(C2=C[C@@H](c3ccccc3C(F)(F)F)n3ncnc3N2)cc1F 19891530 ZQXUAUWDKBEQCS-INIZCTEOSA-N 378.304 4.631 0 50 GJAA O=C(Nc1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22196325 HPBWDOHCNFJAHL-UHFFFAOYSA-N 389.474 4.765 0 50 GJAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3c[nH]c4ccccc34)nc2)C1 67674941 QFWNRODQQBFGCE-GOSISDBHSA-N 389.499 4.697 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(c4cc(C)c5ccccc5n4)C3)C2=O)c1 72407101 ZMRXLSSYVANMKO-AREMUKBSSA-N 399.538 4.871 0 50 GJAA C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112971388 YNELJETWNMPEEH-UZLBHIALSA-N 383.488 4.900 0 50 GJAA in-vitro CC[C@H](C)[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)O 252540076 ORXOWLQQKRYEGW-YHJVDBJQSA-N 391.870 4.617 0 50 GJAA CC[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)c2cccc(Cl)c2O1 253393756 OKEGWFWEEFZVAE-GFCCVEGCSA-N 385.876 4.676 0 50 GJAA Cc1nc(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccc(OC(F)F)cc1 261490530 DUENMQPBHKCRAK-UHFFFAOYSA-N 394.381 4.583 0 50 GJAA Cc1cc(C(F)(F)F)c2c(OCc3cccc(OC(C)C)c3)nn(C)c2n1 888096517 ZKYWRLIRGKGYFB-UHFFFAOYSA-N 379.382 4.662 0 50 GJAA Cc1ncc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)o1 1857531543 PYDHGOZFUXXZFE-INIZCTEOSA-N 379.847 4.680 0 50 GJAA COc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3)nc2)CC1 1875309246 ANKMGPZLKOOPAM-GOSISDBHSA-N 387.483 4.562 0 50 GJAA C[C@@H](Cn1nc(-c2ccc(Cl)nc2)nc1[C@@H]1CCOC2(CCC2)C1)C1CC1 1875331397 YJWKQXPTKHKWNF-GOEBONIOSA-N 386.927 4.856 0 50 GJAA Cc1ccc(OCCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1C 2325705115 WATXJGAPJJAXMO-UHFFFAOYSA-N 376.456 4.685 0 50 GJAA O=C(CC/C(=C/c1ccco1)c1nc2ccccc2s1)N[C@@H]1CCC[C@@H](O)C1 2325722194 OUVODXQYRZWLRI-HELSQHDTSA-N 396.512 4.630 0 50 GJAA O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)cc1 711062 ZKVAANVQUKOPQC-UHFFFAOYSA-N 381.225 4.899 0 50 GJAA O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1Cc1ccco1 872122 CVFUDRFYLJIBLX-GOSISDBHSA-N 383.245 4.809 0 50 GJAA CC(C)[C@H]1Nc2c(C(=O)O)cccc2[C@@H](Nc2ccccc2C(=O)O)C1(C)C 2484214 LAONMPGUGGBWNR-RTBURBONSA-N 382.460 4.713 0 50 GJAA Cc1cc(C)nc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1 4172061 ZWIZPIZIPTUUKW-UHFFFAOYSA-N 388.496 4.949 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)cc1OC 4611811 PUERRDXTUCPOCV-INIZCTEOSA-N 390.483 4.791 0 50 GJAA COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2cccs2)C4)cc1 9341673 CFSUOQZYJUAYBQ-HNNXBMFYSA-N 389.480 4.688 0 50 GJAA Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1 9526048 XDXFKLSILRXSNG-UHFFFAOYSA-N 397.887 4.993 0 50 GJAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC[C@H]1c1cccnc1 12447132 QHNGBIDGNRPLPU-IBGZPJMESA-N 388.496 4.825 0 50 GJAA O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 13961058 CWYCLSCOGMRKRA-CQSZACIVSA-N 387.625 4.918 0 50 GJAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)Cc1ccsc1)C2 14881047 CUATWIGJLKNXGV-UHFFFAOYSA-N 393.508 4.696 0 50 GJAA CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)Cc1cccs1 15075566 OKVQNLDXXRQFAM-UHFFFAOYSA-N 375.497 4.943 0 50 GJAA O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1CN1CCCC1 41970441 JIRWQNAWGMPBAN-UHFFFAOYSA-N 377.513 4.587 0 50 GJAA O=C(c1ccc(NCc2ccco2)nc1)N1CCC[C@@H](c2ccccc2)CC1 67755576 AHJOYUZYYWNNDP-LJQANCHMSA-N 375.472 4.697 0 50 GJAA COc1ccc2cc(-c3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc2c1 111370395 GQVZMEVQWUKIFA-UHFFFAOYSA-N 378.453 4.868 0 50 GJAA O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1scnc1C1CCCC1 184013497 IEIMJRSYQDXAFY-UHFFFAOYSA-N 389.908 4.833 0 50 GJAA COc1cccc(C[C@@H](C)C(=O)Nc2ccc3nc(-c4cscn4)[nH]c3c2)c1 209810670 BRHVBJUDTWQELF-CYBMUJFWSA-N 392.484 4.512 0 50 GJAA in-vitro O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 239274624 ALQWNGCYQQTPAT-CXSMSNRLSA-N 393.486 4.925 0 50 GJAA CN(C(=O)c1ccc(CN2CCCC2=O)cc1)[C@@H]1CCCC[C@H]1c1ccccc1 415983439 NSLMHVJAUGDTCX-XZOQPEGZSA-N 390.527 4.607 0 50 GJAA Cc1c([C@H](C)NC(=O)COc2ccc3ccccc3c2)cnn1-c1ccccc1 2325728779 XLXGISBDABYKQI-KRWDZBQOSA-N 385.467 4.590 0 50 GJAA C[C@H](Cc1ccccn1)NC(=O)c1cc(-c2ccccc2)nc2onc(C3CC3)c12 2325755678 OJCPRCGLVPMUFG-OAHLLOKOSA-N 398.466 4.523 0 50 GJAA CC[C@H](C)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 679620 BEMAKSZPAHLZRK-AWEZNQCLSA-N 395.532 4.523 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccncc2)Nc2ccccc2-3)cc1 713100 NNISDZVCHHWZOC-FQEVSTJZSA-N 399.479 4.729 0 50 GJAA Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1C 804475 YHORGLRGDXYWQE-INIZCTEOSA-N 394.418 4.764 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1Br 943931 WXBYMEOMUFNHAL-VQHVLOKHSA-N 389.274 4.719 0 50 GJAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Br)cc1 1094949 SCUQIZAUMDOTTC-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 2857271 UBBCYKNFIFABMX-UHFFFAOYSA-N 386.430 4.579 0 50 GJAA Cc1ccccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 4710059 CQZYRLAGPWOCFQ-UHFFFAOYSA-N 386.426 4.959 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NCc3cccnc3)cc(-c3ccccn3)nc12 6275636 DASRVQKYNYUDAL-UHFFFAOYSA-N 388.858 4.584 0 50 GJAA CC(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 12453074 VOOPQPNNRTXNBF-ZDUSSCGKSA-N 392.956 4.790 0 50 GJAA COCc1ccc(CN2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)o1 12703935 RBPVMQCCLIBKBK-FQEVSTJZSA-N 393.483 4.683 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(c2ccccc2)C[C@H]1C 15064314 SLQLHSGZLAVRNB-OAHLLOKOSA-N 383.442 4.639 0 50 GJAA CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CC)c3n2)s1 20605664 IOAMHDDHXIBWLY-UHFFFAOYSA-N 385.436 4.784 0 50 GJAA COc1cc(OC)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc2c1 23550142 AEEZGZIFUUYOGQ-UHFFFAOYSA-N 397.906 4.540 0 50 GJAA Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)ccn1 119243004 UFTBZSQXTBOTNV-HNNXBMFYSA-N 397.866 4.505 0 50 GJAA O=C(N[C@@H](c1nccs1)C1CC1)N1CCC(Oc2ccccc2Cl)CC1 159115025 NPUIOHGCHUVLFE-QGZVFWFLSA-N 391.924 4.501 0 50 GJAA O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccn(Cc2ccccc2)n1 476024166 QMRPGLXNZIIQGE-UHFFFAOYSA-N 393.450 4.727 0 50 GJAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1ccc(-c2ccc(C)o2)cc1 952872215 KTNYMPTVPWCKCI-UHFFFAOYSA-N 389.411 4.874 0 50 GJAA CC(C)(C)c1ccc(CCNC(=O)c2cnc(Oc3ccccc3)cn2)cc1 1353479236 DDTAGMCREZCSMS-UHFFFAOYSA-N 375.472 4.539 0 50 GJAA COc1cc(Cl)cc(CN2CCC[C@H]2c2ccc(CN(C)C)cc2)c1OC 1506414178 WQDZSYNURFXGPV-FQEVSTJZSA-N 388.939 4.756 0 50 GJAA CC(=O)c1cn([C@@H](C)C(=O)Nc2c(C)cnn2C2CCCC2)c2ccccc12 1529105041 VTOOYHDTHSXSPN-HNNXBMFYSA-N 378.476 4.664 0 50 GJAA CC(C)(C)c1ccc(C(=O)CCCN2CCC(c3ccnc(O)c3)CC2)cc1 1772812872 QTNBLQUANLIOSJ-UHFFFAOYSA-N 380.532 4.927 0 50 GJAA O=C(CCC1CCOCC1)Nc1ccc2c(Oc3ccccc3)ncnc2c1 2325709964 TUTANDFTNHMJEX-UHFFFAOYSA-N 377.444 4.567 0 50 GJAA Cc1ccc(C)c(NC(=O)c2cc(I)ccc2Cl)c1 993875 GHHINWKZYQBAJX-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1Br 1133152 IALRQLISIUISIU-UHFFFAOYSA-N 389.293 4.700 0 50 GJAA Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1 1180451 JXNGNGVTEGRTPT-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 1181160 WNEZFPVNLLGLNL-VAWYXSNFSA-N 389.436 4.614 0 50 GJAA Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 4122471 HXIWFPVFMDPEQJ-UHFFFAOYSA-N 387.439 4.833 0 50 GJAA O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 4551348 IIDXTANDCIHAPJ-MRXNPFEDSA-N 397.809 4.815 0 50 GJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C)n2)c1 4983445 YVLVIQVQPGWMEM-UHFFFAOYSA-N 377.282 4.602 0 50 GJAA Cc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)cc1 11937717 FCHKOVFMUXUOPN-UHFFFAOYSA-N 377.488 4.535 0 50 GJAA Cc1cccc(OC2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 12429476 KFFIHVXVUWAPMM-UHFFFAOYSA-N 383.879 4.742 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2c(C)nn(C)c2Cl)cc1 12438914 DQFUZMYTDYOVQB-IBGZPJMESA-N 397.954 4.679 0 50 GJAA CN(Cc1ccco1)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12715327 YROHGKAOEWGSDX-SFHVURJKSA-N 380.454 4.685 0 50 GJAA C[C@@H](c1cccs1)N(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 15074889 YICRYEHIHWNLMJ-LBPRGKRZSA-N 381.423 4.934 0 50 GJAA COc1cc(OC)c(OC)cc1CN[C@H](Cc1ccccc1)c1ccccc1 19720388 HZXKYGUBHYKRLX-OAQYLSRUSA-N 377.484 4.786 0 50 GJAA COc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCCO2)cc1OC 65468953 NMGFYQIQIYMUDC-LJQANCHMSA-N 378.472 4.803 0 50 GJAA C[C@H](Nc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1)c1ccco1 67774559 ZAGYODJYDKMWJR-INIZCTEOSA-N 386.455 4.668 0 50 GJAA Cc1cc(NC(=O)N(Cc2ccccc2)Cc2scnc2C)n(C(C)C)n1 96138809 LTBMTHLMSYQEJJ-UHFFFAOYSA-N 383.521 4.772 0 50 GJAA CC(=O)c1c[nH]c(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 170617296 CVDJOKXOAQNYIT-CYBMUJFWSA-N 379.256 4.697 0 50 GJAA CC(C)OC(=O)c1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)o1 170622127 BLNXSWGQBPVWPL-UHFFFAOYSA-N 394.379 4.994 0 50 GJAA Cc1ccc(-c2ocnc2C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 173529586 KNUMGSYEVSKUHU-GOSISDBHSA-N 382.847 4.517 0 50 GJAA O=Cc1cc(F)c(OCc2ncc(-c3ccccc3Br)o2)c(F)c1 175100061 KDXHPAWYDLGKFF-UHFFFAOYSA-N 394.171 4.774 0 50 GJAA Cc1csc(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 464412810 AIYGQXVFHCFORG-CYBMUJFWSA-N 388.493 4.913 0 50 GJAA O=C(NCCc1csc(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1F 497347576 NJHTZDDHNAGDGL-UHFFFAOYSA-N 394.393 4.941 0 50 GJAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N(Cc1ccccn1)C[C@@H]1CCCO1 1506414222 WRBNBYMGXZDTRB-QFIPXVFZSA-N 399.494 4.866 0 50 GJAA COc1c(Cl)cc(Cl)cc1-c1nccn1[C@H]1CCOC2(CCOCC2)C1 1857710891 WEKXIUPYASLXLV-AWEZNQCLSA-N 397.302 4.766 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1C[C@@H]2CCCCCC[C@@H]21 1875262348 SEXRRWRBNXAMEN-WMZOPIPTSA-N 392.528 4.791 0 50 GJAA Cc1cc(C)cc(-n2ncc3c(N[C@H]4CCOC5(CCCCC5)C4)ncnc32)c1 1875335148 UJAZMFVXAKWLAH-SFHVURJKSA-N 391.519 4.726 0 50 GJAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Nc3c(C)cccc3CC)C2)[C@@H]2CCCC(=O)N12 2356158155 YLQSXHJKIIKCDR-WOZUAGRISA-N 397.563 4.591 0 50 GJAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(c2ccc(Cl)c(Cl)c2)CCCC1 2356169496 CWGMYRSEMVATJI-XBXGTLAGSA-N 384.303 4.565 0 50 GJAA O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1F 945124 FIZHQEFNFLFBEW-UHFFFAOYSA-N 377.238 4.964 0 50 GJAA Cc1nc(SCC(=O)N2CCCCC2)c2cc(-c3ccccc3)sc2n1 947715 DDFZBVWOSSPPAZ-UHFFFAOYSA-N 383.542 4.771 0 50 GJAA O=C(COc1ccccc1)Nc1nnc(SCc2cccc(Cl)c2)s1 1129344 HLLDHRLGRYHITA-UHFFFAOYSA-N 391.905 4.501 0 50 GJAA Cc1ccc(OC[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 1140289 WZGABRAYAVOTEF-JOCHJYFZSA-N 384.479 4.965 0 50 GJAA COc1ccccc1-c1n[nH]c(SCc2cccc(Br)c2)n1 2504076 JFURBZXOYHBSEG-UHFFFAOYSA-N 376.279 4.535 0 50 GJAA CCCCOc1ccc(-c2nnc(S[C@H](C)C(=O)O)n2-c2ccccc2)cc1 2877006 HSZYCOMQYSOBDR-OAHLLOKOSA-N 397.500 4.678 0 50 GJAA Cc1ccccc1OCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2991062 CBMMYHTWNHELCM-XLNRJJMWSA-N 399.446 4.797 0 50 GJAA COc1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 5697752 XDUJEZZMDWPRNE-UHFFFAOYSA-N 376.865 4.593 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 13323911 WKMWBZKTDDZZLH-UHFFFAOYSA-N 376.378 4.584 0 50 GJAA CCCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3occc3c2)s1 20572443 ROBBHUOWEOQFDY-MRXNPFEDSA-N 382.485 4.611 0 50 GJAA COc1ccccc1N1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1 55054005 HBZAPJRWKDDHDV-UHFFFAOYSA-N 399.947 4.794 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3cc(C)cc(C)c3n2)cn1 63882077 UZUNOUNWRQYIPL-UHFFFAOYSA-N 376.504 4.607 0 50 GJAA COc1ccc2cc(CN3CCC[C@@H](OC)C3)c(-c3cccc(C)c3)nc2c1 72408576 XPLSHYBTFIYQQQ-JOCHJYFZSA-N 376.500 4.830 0 50 GJAA Cc1cccc(N2C[C@@H](C)N(C(=O)c3cccc(-c4ccccc4)c3)CC2=O)c1 82096262 MIFIOVJNFHYVJR-LJQANCHMSA-N 384.479 4.540 0 50 GJAA CC(=O)Nc1cccc([C@@H](C)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 163584045 JLTRKFWVZFORNE-MRXNPFEDSA-N 385.939 4.614 0 50 GJAA C[C@@H](C1CC1)n1cc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cn1 189669840 ZIIIOYDXIDTVGP-AWEZNQCLSA-N 395.438 4.502 0 50 GJAA O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)N1CCC(c2nnc[nH]2)CC1 225461066 UNSPKOLLHGSDRL-UHFFFAOYSA-N 397.866 4.662 0 50 GJAA Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 299785454 REKQZLZAIXIIRQ-LJQANCHMSA-N 399.418 4.512 0 50 GJAA Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1coc(C2CCOCC2)n1 328785976 IVOSSPPHQGNQSP-INIZCTEOSA-N 383.492 4.508 0 50 GJAA COc1ccccc1N1CC[C@H](CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)C1 749865791 YKMSSOWTHWMOMN-QGZVFWFLSA-N 391.515 4.556 0 50 GJAA Cn1cc([C@@H]2CCCCN2C(=O)c2cccc(Oc3ccc(Cl)cc3)n2)cn1 952845236 IFYHKTWHZNFVLO-IBGZPJMESA-N 396.878 4.628 0 50 GJAA COc1ccc(OC)c(CN(C(=O)c2cccc3c2ccn3C)C2CCCC2)c1 1506420500 GEXBOUYBNMZDQC-UHFFFAOYSA-N 392.499 4.781 0 50 GJAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3nccc4ccccc34)C1)CC2 1857692735 RJAYSRMZWGVANK-XMMPIXPASA-N 388.515 4.512 0 50 GJAA COc1cccc2cccc(C(=O)NC[C@](C)(O)C3CCC(C(C)C)CC3)c12 2325842318 UPUPWYYSCUAQOD-FJDUUPPCSA-N 383.532 4.792 0 50 GJAA CCOC(=O)c1ccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)cc1 945177 PDWFCUYZKHIILH-UHFFFAOYSA-N 389.451 4.856 0 50 GJAA Cn1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl 1076973 IBUJJKVMPAZIOT-UHFFFAOYSA-N 380.300 4.993 0 50 GJAA O=C(CSc1nc2ccc(C(F)(F)F)cc2s1)Nc1nccs1 1084477 RRSMTHLKTWYFNG-UHFFFAOYSA-N 375.422 4.502 0 50 GJAA CC(C)CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC(C)C 1144342 RSLVASAAILDDLE-UHFFFAOYSA-N 380.488 4.887 0 50 GJAA O=C(Nc1ccc(F)cc1F)c1cccc(C(=O)Nc2ccc(F)cc2F)c1 1197858 XNVYBTAXKUBWSS-UHFFFAOYSA-N 388.320 4.748 0 50 GJAA CC[C@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 1200344 FYTRCDWXMXPEAU-JTQLQIEISA-N 377.897 4.659 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 1212480 ORMZEFLKTWGZBG-YLJYHZDGSA-N 388.389 4.607 0 50 GJAA Fc1ccc(-c2csc(Nc3ccc(I)cn3)n2)cc1 1389487 MJHIAZFYYHMWRL-UHFFFAOYSA-N 397.216 4.692 0 50 GJAA O=C(NCc1ccco1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 2979383 KYKSTIYTYOKEOJ-UHFFFAOYSA-N 388.511 4.664 0 50 GJAA COc1ccc(OCCOCCOc2cccc(Oc3ccccc3)c2)cc1 2985876 JBCVYEMPFXPVFN-UHFFFAOYSA-N 380.440 4.962 0 50 GJAA CCCSc1nc2ccc(Br)cc2c(=O)n1-c1ccc(C)cc1 4820745 QDTMVRZCDQNCPW-UHFFFAOYSA-N 389.318 4.959 0 50 GJAA Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1C 6715994 QSIWOWFDSVDCNG-UHFFFAOYSA-N 387.439 4.833 0 50 GJAA Cc1cc2nc(N3CCC(N[C@H](C)Cc4ccsc4)CC3)nc(C)c2cc1C 20256421 SXLGMCLVRGSNHB-QGZVFWFLSA-N 394.588 4.806 0 50 GJAA CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 124232156 UBDVWVLBZUHKQR-GOSISDBHSA-N 387.568 4.650 0 50 GJAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1N1CCCC1=O 170633809 PIOSIDQSDGCFKO-KRWDZBQOSA-N 397.475 4.564 0 50 GJAA CC(C)n1cc(CCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 253411557 OUFWWWIAUDFIJZ-JTHBVZDNSA-N 395.591 4.878 0 50 GJAA biogenic Cc1nc(-c2cccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)c2)sc1C 299790649 BDSSVVKKAIBMHN-HXUWFJFHSA-N 380.513 4.623 0 50 GJAA O=C(O)[C@@H]1CCO[C@H]1c1cncc(-c2ccc([C@H]3CC(F)(F)C3(F)F)cc2)c1 901102800 YEEZXJOTWLGLQR-ZACQAIPSSA-N 395.352 4.669 0 50 GJAA CO[C@](C)(CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c1ccccc1 1470221352 KBIXNTWZBPPHNG-IFMALSPDSA-N 388.458 4.763 0 50 GJAA O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1F 678981 JZISMKUUNMDLDN-UHFFFAOYSA-N 377.655 4.913 0 50 GJAA Cc1cc(O)c(C2=NCCS[C@H](c3cccc(Cl)c3Cl)C2)c(=O)o1 754266 SFSCAGQRMBODQY-AWEZNQCLSA-N 384.284 4.628 0 50 GJAA CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCC)c(OC)c2)cc1OC 1113535 FRODKOLNJBHYAW-UHFFFAOYSA-N 388.420 4.508 0 50 GJAA CCOc1ccc(CSc2nc(C)cc(C)n2)cc1-n1nc2ccccc2n1 1428803 GJUQHCUSTMJPAI-UHFFFAOYSA-N 391.500 4.518 0 50 GJAA Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1 1530455 JJDHAOLOHQTGMG-UHFFFAOYSA-N 383.275 4.858 0 50 GJAA biogenic,in-vivo COc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 2978805 YFVDJKDPFXOAAP-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC 4019637 NLKKHCJNRCVFBB-XSFVSMFZSA-N 399.450 4.508 0 50 GJAA CCN(Cc1ccccc1)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 4725503 MBIIIFSRYUUYMB-DYTRJAOYSA-N 376.544 4.851 0 50 GJAA CCOC(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 4977568 DBEWWPHYNOKFKC-QGZVFWFLSA-N 375.553 4.762 0 50 GJAA Cc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1 6428895 HTZQTFJZCQZKBO-UHFFFAOYSA-N 386.524 4.993 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@H](C)c1ccccc1)O2 11782385 GGDFNPFSHAOVCZ-VGOFRKELSA-N 399.490 4.780 0 50 GJAA COCc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)s1 12090253 ODTRAAZBYREFHF-IBGZPJMESA-N 395.528 4.504 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)o1 15071155 OLSXSSWDGZSPSN-QGZVFWFLSA-N 386.467 4.615 0 50 GJAA OCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(F)cc2)o1 20600949 AMPXKAQAWOPXBQ-HSZRJFAPSA-N 376.431 4.540 0 50 GJAA C[C@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 55041951 KNTBVBLCKMVMES-GOSISDBHSA-N 399.498 4.862 0 50 GJAA CC[C@@H](C)N(Cc1ccccn1)C(=O)c1cccc(NCc2cccnc2)c1C 55154764 JHGKMXXHGCMHOD-GOSISDBHSA-N 388.515 4.838 0 50 GJAA Cc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c(C)c1 101070094 XLFBFVCNJNLAPH-GOSISDBHSA-N 381.277 4.713 0 50 GJAA C[C@H](CC(=O)N[C@@H](CCCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 152947338 MFPFPOPEOVVUEV-BEFAXECRSA-N 379.422 4.829 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)ccc2N1 292964782 PLGBMJRZJLUXLJ-NRFANRHFSA-N 375.472 4.721 0 50 GJAA Cc1c(NC(=O)Nc2cccc(-c3cccs3)c2)cnn1C1CCOCC1 296610221 YMEGHXVWEWWFON-UHFFFAOYSA-N 382.489 4.916 0 50 GJAA O=C(O)c1ncc(C(F)(F)F)cc1Sc1ccc(Br)cc1 390822253 HGXGIIYFSCDNCZ-UHFFFAOYSA-N 378.169 4.712 0 50 GJAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N(C)CC1CCOCC1 823633990 OKSPERMMBCNWAW-UHFFFAOYSA-N 393.483 4.819 0 50 GJAA CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C5=CC(=O)OC5)=CC=C4[C@H]3CC[C@@H]2C1 1772492359 SVPNYAGEEKDKCQ-HTXINUOUSA-N 396.527 4.900 0 50 GJAA CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(Br)cc2)s1 681633 PKADMKUFTLRONT-UHFFFAOYSA-N 382.279 4.502 0 50 GJAA O=C(Oc1cc2ccccc2cc1OC(=O)N1CCCCC1)N1CCCCC1 795456 ILKZPULLHNTFMW-UHFFFAOYSA-N 382.460 4.809 0 50 GJAA FC(F)Oc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 1051507 QNJUYGJRLUZRPY-CVEARBPZSA-N 376.794 4.679 0 50 GJAA O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccs1 1185905 HWKVMOJSIGUJRR-UHFFFAOYSA-N 397.456 4.822 0 50 GJAA O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 1202252 NCLCUGHROSCRQT-UHFFFAOYSA-N 383.447 4.745 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 2965592 DCDICZZIEUTBGQ-UHFFFAOYSA-N 393.892 4.718 0 50 GJAA COc1ccc([C@@H](CC(=O)O)NC(=O)c2sc3ccccc3c2Cl)cc1 4580564 DTHUYRKJCWKLQM-CQSZACIVSA-N 389.860 4.509 0 50 GJAA CC(C)[C@@H](O)c1ccc2c(c1)CN(C(=O)c1cccc3ccccc13)CCO2 11882250 XIESXMVCJNAZOI-HSZRJFAPSA-N 375.468 4.564 0 50 GJAA O=C(N[C@@H]1CCCc2ccccc21)c1cc(COc2ccc3ncccc3c2)on1 12436258 WCDQSSHBRHAGEY-JOCHJYFZSA-N 399.450 4.609 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccccc1 15062191 LAMXZWNFHKLHNE-QHCPKHFHSA-N 387.483 4.867 0 50 GJAA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19800785 MYGZLQGSPWOHPU-OAHLLOKOSA-N 392.113 4.556 0 50 GJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)no1 36620393 IOERMMHUFQEXGN-SFHVURJKSA-N 382.847 4.981 0 50 GJAA C[C@@]1(C(=O)O)CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 135550165 CCLBVWVASLVDGH-NZQKXSOJSA-N 379.456 4.559 0 50 GJAA O=C(O)CC[C@@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 217020506 WBEPFERYCYWNOI-KSFYIVLOSA-N 393.483 4.949 0 50 GJAA Cc1ccc(-c2ncco2)cc1NC(=O)Nc1nc(C2CCOCC2)cs1 376775246 BQDCXWUBZBDLJB-UHFFFAOYSA-N 384.461 4.645 0 50 GJAA CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 464781802 ZGJMRFILRKBGRE-QWHCGFSZSA-N 394.890 4.903 0 50 GJAA O=C(NCc1ccc(OCc2ccccc2F)cc1)C1(c2ccccc2)CC1 826626711 NYAMTRZDBRQZNQ-UHFFFAOYSA-N 375.443 4.753 0 50 GJAA Cc1cc(CNC(=O)Cc2ccc(-n3cccn3)cc2)ccc1-c1ccccc1 1436004423 LPMVHJNSWSZWJV-UHFFFAOYSA-N 381.479 4.707 0 50 GJAA CC1(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CCCC1 1704298531 IRSMQCCLIRHGNZ-XMMPIXPASA-N 375.516 4.530 0 50 GJAA Cc1cc(Oc2ccc(C(=O)NCCCCn3ccnc3)cn2)ccc1C(C)C 2325736406 DUHGGGQKJYNSFD-UHFFFAOYSA-N 392.503 4.712 0 50 GJAA O=C(/C=C/c1cccc(CO)c1)Nc1ccc(SCc2cccnc2)cc1 2325740312 RQCWBMADXZMHKK-IZZDOVSWSA-N 376.481 4.518 0 50 GJAA O[C@@H](CNC1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2836638 HPNLFFSWIDMBOZ-INIZCTEOSA-N 377.315 4.994 0 50 GJAA COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 2878985 LHDDPMDJDDYWME-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA CCCCc1ccc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4821093 WWPFGWPMNFIADV-SGGRRFJASA-N 382.548 4.689 0 50 GJAA C[C@@H](NC(=O)c1cn(Cc2cccc(Cl)c2)nn1)c1cccc2ccccc12 12004392 BSASLZDBSBDQHL-OAHLLOKOSA-N 390.874 4.624 0 50 GJAA CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[C@H]1CCOC1 12301322 FHBCDIDHFWNBDL-NRFANRHFSA-N 387.483 4.565 0 50 GJAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)Nc3ccccc3)CC2)C1 91493067 MDLIDVMRGHBXSQ-OAQYLSRUSA-N 377.532 4.810 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(c2nccs2)C1 95503388 JMXQTYWNAYERBI-KRWDZBQOSA-N 381.476 4.804 0 50 GJAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Nc1ccc(SC(F)(F)F)cc1 96138327 VGKXVQVZRRROSZ-UHFFFAOYSA-N 386.443 4.735 0 50 GJAA Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@H](C)[C@@H]1CCCNC1 151730900 LMUJVRORVQKMCU-ZWKOTPCHSA-N 394.519 4.603 0 50 GJAA Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1c(F)cccc1F)C1CC1 189983524 LEHAIWBOECIEJY-UHFFFAOYSA-N 388.439 4.723 0 50 GJAA C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1c[nH]nc1-c1nccs1 446383338 UENXNIJALSBRCW-SNVBAGLBSA-N 395.410 4.777 0 50 GJAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3nc4cccc(C)c4[nH]3)n[nH]2)cc1 825180612 GFQYGJOPYQMWBW-HXUWFJFHSA-N 385.471 4.547 0 50 GJAA COc1cccc(OC[C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 952980050 CDNCICCSMYAPKB-GOSISDBHSA-N 392.499 4.543 0 50 GJAA O=C(Cc1ccc2oc3ccccc3c2c1)NC[C@@H](O)c1c(F)cccc1Cl 2325862379 RRUBLNMKKWKOEK-GOSISDBHSA-N 397.833 4.771 0 50 GJAA Cc1ccc2ccccc2c1CN1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356141699 LZQFORYLKZDOOM-AREMUKBSSA-N 399.538 4.700 0 50 GJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O 861627 BAIOCYFSKWYSGU-UHFFFAOYSA-N 398.374 4.559 0 50 GJAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 1079550 FCWUGJFPSQPLOV-UHFFFAOYSA-N 376.481 4.591 0 50 GJAA CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1160825 AZHTWUIMZAUHFZ-UHFFFAOYSA-N 386.407 4.981 0 50 GJAA CCOC(=O)[C@H](C(=O)C(F)(F)F)C1c2ccccc2Sc2ccccc21 1890848 DJWMQPPXGBEJKS-INIZCTEOSA-N 380.387 4.594 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 4612035 XBAQWDFQVMWKEY-XOKHGSTOSA-N 383.513 4.792 0 50 GJAA Clc1ccc(CCNC2CCN(CCc3ccccc3)CC2)c(Cl)c1 4989405 MCFTZNSPLMXQPE-UHFFFAOYSA-N 377.359 4.833 0 50 GJAA COc1ccc(C(=O)C[C@@H](c2ccc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 5929819 VVWBBJCGBNFTHS-QFIPXVFZSA-N 398.480 4.693 0 50 GJAA CCc1cc2c3c(c1)[C@@]1(NCCc4c1[nH]c1ccccc41)C(=O)N3C(C)(C)C[C@H]2C 19890851 HEHNRBQRNGNKME-WZQKQDCOSA-N 399.538 4.752 0 50 GJAA biogenic COc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O 28949000 UHIUYPXOUFFNNS-JMQWPVDRSA-N 375.424 4.851 0 50 GJAA COc1cc(-c2c(-c3ccccc3)ncn2[C@H](C)c2cnn(C)c2)ccc1F 65422068 WSJXMNYAKATXFO-OAHLLOKOSA-N 376.435 4.708 0 50 GJAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)nc2)C1 67965694 VJEYXCFQADPZEH-HXUWFJFHSA-N 389.499 4.697 0 50 GJAA O=C(N[C@H]1CCCc2nc(O)ccc21)c1cc(C2CC2)nc2ccc(Cl)cc12 333026784 KZXJVXJFJMPWLJ-SFHVURJKSA-N 393.874 4.674 0 50 GJAA CC[C@@H]1COCCN1C(=O)c1cccc(-c2ccnc3ccc(Cl)cc23)c1 534662673 NSQUAUSRXJDBKS-GOSISDBHSA-N 380.875 4.806 0 50 GJAA O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc21 746797552 CCNSKGXJSQYAKF-XUZZJYLKSA-N 397.474 4.771 0 50 GJAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1 822409865 NTQRFTXRANFTBA-INIZCTEOSA-N 380.463 4.511 0 50 GJAA C[C@H](NC(=O)CC1(n2cccc2)CCSCC1)C12CC3CC(CC(C3)C1)C2 888105525 KRFHJJIMJNHKAF-WEWRAIFCSA-N 386.605 4.822 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@H](C)[C@H]5[C@@]4(C)CC[C@@H]32)C1 1857526139 OWDSQNAIMXYQHD-NPLFAMQHSA-N 386.532 4.669 0 50 GJAA CC(C)=CCN1CCOC2(CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 1857694197 DRDHCIMGXYEEEI-UHFFFAOYSA-N 391.968 4.587 0 50 GJAA Cc1nc(C(F)(F)F)ncc1CN1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1875244098 MEMBQFOCVPMFTO-ZWKOTPCHSA-N 393.453 4.792 0 50 GJAA COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2 672722 IMBHSPNBCJMAOM-IRXDYDNUSA-N 383.513 4.936 0 50 GJAA Cc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4s3)C2=O)c(Cl)c1 1076923 JTRXJKOMHSAEPL-HNNXBMFYSA-N 388.901 4.682 0 50 GJAA c1ccc(OCc2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)cc1 1076996 LOWNFZYCIHHVKT-IBGZPJMESA-N 381.501 4.508 0 50 GJAA O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1 1158866 KBBGOLVRPMQFLX-UHFFFAOYSA-N 388.492 4.821 0 50 GJAA COc1ccc2[nH]c(C)c(CCn3c(C)nc(=O)c(-c4ccccc4)c3C)c2c1 1421876 NHSLLXPVMKRXMD-UHFFFAOYSA-N 387.483 4.568 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1)CC2 1443354 KHTLMGXARAKWGT-HSZRJFAPSA-N 388.467 4.883 0 50 GJAA COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 2880051 XDOONLGEUOGHSY-UHFFFAOYSA-N 384.284 4.652 0 50 GJAA Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5ccccc5n4)nc3C2)cc1 4487076 FIVFRQSTZHYZFW-QGZVFWFLSA-N 395.466 4.693 0 50 GJAA Cc1cc(NC(=O)c2ccc(F)cc2)n(Cc2ccc(Cl)cc2Cl)n1 4760957 MQEKOCRXJYSGFL-UHFFFAOYSA-N 378.234 4.938 0 50 GJAA COC(=O)c1sc2cc(NC(=S)N3CCCCCC3)ccc2c1Cl 6397323 QILGWKUFXUMUMH-UHFFFAOYSA-N 382.938 4.914 0 50 GJAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCC1CCOCC1 12201245 KRTGQQHCKZTFMN-UHFFFAOYSA-N 397.469 4.642 0 50 GJAA Cc1c[nH]c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)n1 12246149 FEFDJFSUNDZWBG-HNNXBMFYSA-N 389.425 4.507 0 50 GJAA 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O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(I)cc1 1179125 ZFITVQSTJATYPW-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccsc2)CC1 12748418 HSYNTNSUHFEKPJ-UHFFFAOYSA-N 383.542 4.722 0 50 GJAA O=C(CC1CC1)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 15007561 BYAUGWKCERXUIS-OAHLLOKOSA-N 375.390 4.592 0 50 GJAA CCc1ccc(-c2cc(C(=O)N3CCN(CC)CC3)c3cc(C)ccc3n2)cc1 17079157 IYBLKASEIDSNIY-UHFFFAOYSA-N 387.527 4.550 0 50 GJAA N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1CCc1ccccc1 20512369 LQMGCKVXDDVZON-UHFFFAOYSA-N 389.474 4.773 0 50 GJAA CN1CCC[C@@H]1CCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67895587 LPECZXYVYYKVCQ-JOCHJYFZSA-N 387.527 4.851 0 50 GJAA Cc1cccnc1CN1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 67896253 ORPFEXFBZYHJBG-UHFFFAOYSA-N 394.522 4.852 0 50 GJAA C[C@H](C1CC1)n1nccc1NC(=O)N(Cc1cccnc1)Cc1ccsc1 95520052 WPGLTRSUAGIGRD-OAHLLOKOSA-N 381.505 4.545 0 50 GJAA CC(C)COc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1Cl 134494057 HQHNMRJBQXUJQT-OAHLLOKOSA-N 380.897 4.935 0 50 GJAA O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccncc1Cl 170646480 WGHSVFXHCKDKLO-UHFFFAOYSA-N 399.705 4.520 0 50 GJAA CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCCc1ccc(C(F)(F)F)cc1 225567117 RXUMSQYLTBHWPB-UHFFFAOYSA-N 389.421 4.509 0 50 GJAA Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@H]3CCCC[C@H]3C2)o1 252444087 GHEZEQSOIUMALB-AEFFLSMTSA-N 378.476 4.712 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N=c1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 439345070 KZWOOVVHBLPTKE-YDHLFZDLSA-N 396.878 4.604 0 50 GJAA C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@@H]1COc2ccccc21 755161072 WUPMRZBMNSIHIH-IERDGZPVSA-N 395.462 4.591 0 50 GJAA C[C@H](N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(C(F)F)nc1 888101143 IJNCAUYOHIHFHK-NJSLBKSFSA-N 391.437 4.561 0 50 GJAA Cc1cnccc1-c1cc2c(s1)C1(CCN(c3nccs3)CC1)OCC2 1857724234 QROGXYPMDYDMBH-UHFFFAOYSA-N 383.542 4.643 0 50 GJAA CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 643876 IMXSJZKJLVRUIX-LBPRGKRZSA-N 390.574 4.963 0 50 GJAA COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1OC 647307 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ZMRZJDBBOPPKPP-UHFFFAOYSA-N 396.874 4.648 0 50 GJAA Cc1cc(N(C)Cc2c(C)nn(-c3ccccc3C)c2C)nc(-c2ccncc2)n1 170625608 YRODLQKRTFRWNI-UHFFFAOYSA-N 398.514 4.594 0 50 GJAA C[C@H](N[C@H]1CCCc2c(O)cccc21)c1nc(Cc2ccc(Cl)cc2)no1 192347433 NDMJVGFGWSOIRE-UGSOOPFHSA-N 383.879 4.748 0 50 GJAA O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 299799589 SMJGKTSYFKINKA-HXUWFJFHSA-N 376.460 4.756 0 50 GJAA C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 741658448 YNBRYQXUQILBHV-UKILVPOCSA-N 379.463 4.757 0 50 GJAA O=C(O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1 1775956374 TZXXQBCSEALGNW-MRXNPFEDSA-N 391.467 4.655 0 50 GJAA O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cc(-c2ccc(F)c(F)c2)on1 1775976236 PQIKBVNKWHUPFO-UHFFFAOYSA-N 385.301 4.666 0 50 GJAA CCOc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C 1776003789 BMZMBZKUVKXPQG-UHFFFAOYSA-N 391.876 4.671 0 50 GJAA O=C(O)c1cc(/C=C/c2ccccc2-n2nnc3ccccc32)nc2ccccc12 2325877659 WQSMPPKXLIROEC-BUHFOSPRSA-N 392.418 4.837 0 50 GJAA Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 1114990 WMKHFSUZWHEKSL-LSDHHAIUSA-N 394.693 4.967 0 50 GJAA CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(OC)cc1 1120131 AGFIAFWHSKRXNM-UHFFFAOYSA-N 384.867 4.660 0 50 GJAA O=C(Nc1cccc(I)c1)c1ccc2c3c(cccc13)CC2 1160222 UZPXSRMPGNCQSB-UHFFFAOYSA-N 399.231 4.795 0 50 GJAA O=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)c(Cl)c1 2874202 YXIAGPBHUNFCIV-UHFFFAOYSA-N 393.039 4.913 0 50 GJAA COc1ccc(Br)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 2982124 MENCYSQAPNMNKY-UHFFFAOYSA-N 399.306 4.657 0 50 GJAA COc1cc(C=O)ccc1OCCCOc1c(C)cc(Br)cc1C 2983594 MSVSODYDSYZMQO-UHFFFAOYSA-N 393.277 4.735 0 50 GJAA O=C(Nc1ccc(F)cc1)c1nc(SCc2ccccc2F)ncc1Cl 6748049 KKZPKPAUXZWMFV-UHFFFAOYSA-N 391.830 4.953 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 11839869 HRSMNNWEZIOGMD-GOSISDBHSA-N 375.424 4.807 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)cc1 12836126 IDYWNODKAQVUCR-NRFANRHFSA-N 386.495 4.893 0 50 GJAA Cc1ccc(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 17161366 DOBCZUQBBDVADJ-UHFFFAOYSA-N 389.278 4.920 0 50 GJAA CC[C@H](c1nc(C)no1)n1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1 65384105 RJQSADOJZHJUIR-GOSISDBHSA-N 376.464 4.685 0 50 GJAA CCCc1ncc(CN2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cn1 82109384 GMKPUYKKUVFKDN-UHFFFAOYSA-N 375.520 4.507 0 50 GJAA CCO[C@H](C)c1nc(C(=O)Nc2ccc(CN3CCCCCC3)cc2)cs1 170635352 CSFBCKVMJDIRGZ-MRXNPFEDSA-N 387.549 4.869 0 50 GJAA CCC[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(F)cc1 227154648 FGIOBGPHDJJGJC-CQSZACIVSA-N 387.838 4.899 0 50 GJAA Cc1ccccc1-n1cc(CN(C)C(=O)N[C@@H](CC(C)C)c2cccnc2)cn1 534581284 QQPSEHBDAYYRNK-NRFANRHFSA-N 391.519 4.505 0 50 GJAA c1ccc2oc([C@@H]3CCCN(Cc4cc(CN5CCCC5)cs4)C3)nc2c1 952868957 JGYBNWPLIZIJMZ-GOSISDBHSA-N 381.545 4.865 0 50 GJAA Cc1nnc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)s1 937453 XGVMGRUJKDZTTM-UHFFFAOYSA-N 398.538 4.854 0 50 GJAA CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 1114852 CXSYFYVLPDKUFU-UHFFFAOYSA-N 398.462 4.910 0 50 GJAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Cl)c1 1124520 DZJSVWPGWCRATJ-LBPRGKRZSA-N 376.909 4.989 0 50 GJAA CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1180893 URWGBZHGEGZWRE-ONNFQVAWSA-N 394.327 4.586 0 50 GJAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)Oc1cccc(C(F)(F)F)c1 1394809 FHSADRSAANPXEL-UHFFFAOYSA-N 388.267 4.680 0 50 GJAA CN(Cc1ccccc1)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2485403 ZZONLFDNGMDGTJ-UHFFFAOYSA-N 392.409 4.606 0 50 GJAA Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1Cl 5107015 CMMZGCMLPASKPJ-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA Cc1c(CN2CCC(CO)(Cc3ccccc3)CC2)[nH]c2ccc(Cl)cc12 14968671 KPIACLYALRCBCH-UHFFFAOYSA-N 382.935 4.947 0 50 GJAA Sc1nnc(CCCOc2ccc(Cl)cc2Cl)n1Cc1ccccc1 15020927 MAMRLWISHWTTAO-UHFFFAOYSA-N 394.327 4.934 0 50 GJAA O=C(Nc1ccnn1Cc1ccccc1)c1cc(-c2ccc3c(c2)CCCC3)on1 28293684 QWPACISQMPKXBT-UHFFFAOYSA-N 398.466 4.718 0 50 GJAA C[C@@]12CC3CC(C(=O)N4CCC(OCc5ccccn5)CC4)(C1)C[C@](C)(C3)C2 55568936 UJFSNSXNBUERCQ-SYQRVOMBSA-N 382.548 4.586 0 50 GJAA O=C(C[C@H]1C=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67851914 AWFCGXKVNMJXRJ-HNNXBMFYSA-N 383.875 4.790 0 50 GJAA O=C(c1ccc(N2CCC[C@@H](CCc3cccc(F)c3)C2)nc1)N1CCCCC1 72421068 SFZNALSVIDZOCV-FQEVSTJZSA-N 395.522 4.696 0 50 GJAA COc1ccc(F)cc1CN1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 77386282 SOZHSWLIMUBJIH-UHFFFAOYSA-N 379.479 4.912 0 50 GJAA CC(C)N(CCNC(=O)[C@@H](Oc1ccccc1)c1cccc(Cl)c1)C(C)C 96027310 XVXJIJUOIAGRBV-NRFANRHFSA-N 388.939 4.695 0 50 GJAA Cc1ccc(-c2ccsc2C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 135382035 WTOCKLNCCWLEIK-HXUWFJFHSA-N 379.481 4.643 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc2CC1 170629032 SVINEOIHMWPFIN-UHFFFAOYSA-N 384.838 4.684 0 50 GJAA CCCc1ncc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)s1 172877999 AACXHDHTFSRVES-ZDUSSCGKSA-N 380.897 4.559 0 50 GJAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC[C@H]1c1nccs1 827939474 DCLBXLCYTDSWCJ-KRWDZBQOSA-N 375.925 4.764 0 50 GJAA O=C(O)c1cccc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1Cl 846246677 QBXXVQREZJRTPS-LJQANCHMSA-N 394.298 4.637 0 50 GJAA Cc1cc(F)ccc1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 926221807 SDQXIZIQSJMZLI-RDTXWAMCSA-N 386.471 4.782 0 50 GJAA COc1ccc(-c2cnn(C3(C(=O)O)CC(c4ccc(Cl)cc4)C3)c2)cc1 1875323849 BKZYKUYWZSKVEQ-UHFFFAOYSA-N 382.847 4.570 0 50 GJAA Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1-c1ccccc1 1875362835 VRBYVBORZMHJAW-DEOSSOPVSA-N 398.506 4.535 0 50 GJAA CCc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)c2ccccc2)cc1 1125072 AWRJMYPMBAKOEY-UHFFFAOYSA-N 389.451 4.506 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1 1134550 YUMOFPHHHWYEAQ-UHFFFAOYSA-N 394.858 4.782 0 50 GJAA CCc1ccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)cc1 1165109 QSPUIXGDFJEAPJ-UHFFFAOYSA-N 378.435 4.897 0 50 GJAA CCCOc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)c1 2089051 WCOIUDHLNQMMIL-LJQANCHMSA-N 390.483 4.599 0 50 GJAA O[C@H](CNC1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2836637 HPNLFFSWIDMBOZ-MRXNPFEDSA-N 377.315 4.994 0 50 GJAA COC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1C 2843210 BBXHQPPCZXHDTP-UHFFFAOYSA-N 398.311 4.960 0 50 GJAA Cc1cc(C)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 2856970 VOLDHMNHUDEGAH-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA CCOc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)cc2C)n1 4868319 KDVDYWGDCPUESY-UHFFFAOYSA-N 379.460 4.714 0 50 GJAA C[C@@H](NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2)CC1)c1ccccc1 6700652 HMNTUKOICIYDGZ-NFAVZRQZSA-N 378.516 4.548 0 50 GJAA c1ccc2c(c1)CC[C@H](N1CCC(n3c(C4CCC4)nc4cccnc43)CC1)C2 11913437 UBNCICROPNNJQJ-QFIPXVFZSA-N 386.543 4.893 0 50 GJAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 12315150 CSUYDZJVQLGZMY-UHFFFAOYSA-N 394.425 4.746 0 50 GJAA CC(=O)c1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cs1 12595045 ZMXGEYDUSYNBFU-LLVKDONJSA-N 375.444 4.574 0 50 GJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)no1 35511360 FBBFRSBLVSTTHD-MRXNPFEDSA-N 378.270 4.759 0 50 GJAA Cc1cc(N2CCN(C(=O)Nc3ccccc3SC(C)C)CC2)cc(C)n1 96160087 KBCSTTSCBVSEAT-UHFFFAOYSA-N 384.549 4.553 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1ccsc1 124015443 MSPNVEFLGYLJJM-OAHLLOKOSA-N 383.300 4.688 0 50 GJAA O=C(O)CC[C@H]1CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 199240890 WBEPFERYCYWNOI-ZHRRBRCNSA-N 393.483 4.949 0 50 GJAA CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(C)O 239338857 LIBIPIXHWFBTLG-FSTATDAESA-N 392.370 6.182 0 50 GJAA Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2)n1 252488411 IRKDYHDVNFBDTF-HNNXBMFYSA-N 394.397 4.772 0 50 GJAA Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCOC2(CCCC2)C1 408171503 KGYOPQDOADZSNA-UHFFFAOYSA-N 395.286 4.742 0 50 GJAA O=C(O)[C@H](c1cccc2ccccc12)N1CC[C@@H](COCc2ccccc2)C1 1875282826 UEMYUHARJACAIQ-XXBNENTESA-N 375.468 4.504 0 50 GJAA CN(C)c1ccc(C2(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)CC2)cc1 1875333796 LYNLVQZSUZTDGN-NRFANRHFSA-N 390.527 4.737 0 50 GJAA Fc1ccc2sc(C3CCN(Cc4nc5cccnc5s4)CC3)nc2c1 2325709965 VWWVJUHMMWAANX-UHFFFAOYSA-N 384.505 4.820 0 50 GJAA COc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1Br 724153 WQTAFNBXTNHQJL-UHFFFAOYSA-N 391.290 4.937 0 50 GJAA CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1C[C@H](C)CC2 985770 XOXORYWDPAORNU-CYBMUJFWSA-N 388.558 4.536 0 50 GJAA COc1ccc(NC(=S)Nc2ccc(C)cc2Br)cc1OC 1120054 MJVIPYFWASMJBK-UHFFFAOYSA-N 381.295 4.584 0 50 GJAA O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2243709 PTSLRPMRTOVHAB-JOCHJYFZSA-N 387.435 4.741 0 50 GJAA in-vitro O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C(=O)c1c[nH]c2ccccc12 2503949 UKTXYRSHQXYJAF-UHFFFAOYSA-N 386.455 4.844 0 50 GJAA c1ccc(CCN(Cc2ccccc2)C2CCN(Cc3ccccn3)CC2)cc1 2735051 HMXUCYYHIRYOIA-UHFFFAOYSA-N 385.555 4.791 0 50 GJAA O=C(NCc1ccccc1)c1cccc(COc2ccccc2Br)c1 2750708 IOYGEACAQOPRDH-UHFFFAOYSA-N 396.284 4.958 0 50 GJAA CCCOc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 2844635 FDGSUUUYWDOTRU-VBKFSLOCSA-N 386.245 4.582 0 50 GJAA COCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2c(C)c(Cl)ccc12 2867786 FLBAGLGUIZOXLQ-UHFFFAOYSA-N 382.891 4.857 0 50 GJAA CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3252466 NLXCXSWNPKTSMY-UHFFFAOYSA-N 381.435 4.994 0 50 GJAA COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)CC(C)C)c12 4709893 ZYFZNFNSOJJMPR-UHFFFAOYSA-N 396.512 4.967 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 4911679 OYOSHGSYBNARND-GOSISDBHSA-N 375.424 4.970 0 50 GJAA O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccccc1Cl 9037164 IMRLJAZEIANKCI-UHFFFAOYSA-N 396.899 4.852 0 50 GJAA CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1OC 11903334 UTEREVBHLKKDTL-LJQANCHMSA-N 379.485 4.662 0 50 GJAA CSc1ccc(NC(=O)[C@H]2CC23CCN(Cc2cccc(C)c2)CC3)cc1 12184986 YSFWUWDLZRXXHB-OAQYLSRUSA-N 380.557 4.958 0 50 GJAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCC(C)C)C3)s1 12329149 XRAXCGGNYAJMJX-INIZCTEOSA-N 389.492 4.613 0 50 GJAA CCCO[C@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 12702675 GRKGKRSLNPKADM-FQEVSTJZSA-N 383.536 4.629 0 50 GJAA CCCc1ccc(OCc2ccc(-c3nnc(S)n3C[C@@H]3CCCO3)o2)cc1 17081749 NWKXZYPWRKIIMA-KRWDZBQOSA-N 399.516 4.537 0 50 GJAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1snnc1C(C)C 55575884 URZVPUIYCLWMHJ-UHFFFAOYSA-N 394.500 4.783 0 50 GJAA CCCc1nnc(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)o1 121979251 VSXZDGNMGLWMSQ-UHFFFAOYSA-N 392.481 4.595 0 50 GJAA Cc1c(NC(=O)c2occc2-c2ccc(F)cc2)cnn1-c1ccccc1F 152066417 VJSVIVGSLHMWEW-UHFFFAOYSA-N 379.366 4.971 0 50 GJAA Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 184415617 UQDIVOGMLRBESP-QHCPKHFHSA-N 380.488 4.583 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]cn3)CC2)cc1 242339070 ZERSWYVXFMUDRB-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA COc1ccc(-c2noc(-c3cccn3Cc3ccccc3C)n2)cc1OC 263619498 YXMQHPFUFXYVOS-UHFFFAOYSA-N 375.428 4.579 0 50 GJAA O=C(c1cccc(F)c1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 299767028 AVOXWFTYVNQEIR-QFIPXVFZSA-N 383.463 4.578 0 50 GJAA O=C(NCc1ccc(-c2ccccc2Cl)o1)c1ccc(CN2CCCC2)o1 952982492 MIZJEMJTNNBTMZ-UHFFFAOYSA-N 384.863 4.719 0 50 GJAA CCCOc1cc(Cl)c(-c2nccn2C[C@H]2CC[C@H](CO)CC2)cc1OC 1857730864 ANTXCPMGKHPVFE-WKILWMFISA-N 392.927 4.800 0 50 GJAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cccnc2OC2CCCC2)no1 1875259349 JUECTUAOTFPMKN-LBPRGKRZSA-N 386.839 4.641 0 50 GJAA Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cnc1N1CCCCC1 2325730261 AEWOQWKQNQHADF-FQEVSTJZSA-N 379.504 4.527 0 50 GJAA Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2ccccc2c1 716749 GHVVLJZDIXUHAD-UHFFFAOYSA-N 378.497 4.767 0 50 GJAA COc1ccc(C(=O)C[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 976103 UQDRPFASTDSHHS-FQEVSTJZSA-N 386.494 4.545 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc12 1175963 YMYXOCPZUGNESO-UHFFFAOYSA-N 389.524 4.957 0 50 GJAA Cc1cc(O)c(C2=NCCS[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 5441446 HDLLOYWQXGAMOA-HNNXBMFYSA-N 384.284 4.628 0 50 GJAA Cc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)s1 12313782 WYSQRJXQAMIILB-OAHLLOKOSA-N 396.478 4.717 0 50 GJAA Cc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)s1 15065964 PNGCEGWYTWVFPB-GOSISDBHSA-N 390.980 4.737 0 50 GJAA CC(C)c1ccccc1NC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1 55327643 HLOHISHZUAQRBH-UHFFFAOYSA-N 381.524 4.928 0 50 GJAA Cc1ccc2[nH]c(C(=O)N(C)Cc3c[nH]nc3-c3ccc(F)cc3)c(C)c2c1 91651102 DZWKDMYGUAUYRN-UHFFFAOYSA-N 376.435 4.586 0 50 GJAA CCCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 96165489 UWBBOPNCIDBDLM-KRWDZBQOSA-N 384.476 4.768 0 50 GJAA CO[C@@H]1CCN(C(=O)Nc2ccccc2SCc2cccc(Cl)c2)C1 97679919 WHVWWDWLWLHYJW-MRXNPFEDSA-N 376.909 4.885 0 50 GJAA CC(=O)N1CCC(NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 236632117 VJGYHRZQAIKQRI-HXUWFJFHSA-N 395.934 4.554 0 50 GJAA C[C@@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1nccs1 754737209 KILFHAVMFPMNTR-ZDUSSCGKSA-N 379.510 4.953 0 50 GJAA CCC(=O)Nc1cc(NC(=O)c2ccc([C@H](C)N3CCCCC3)o2)ccc1C 952972353 URERKQHTKNMARD-INIZCTEOSA-N 383.492 4.736 0 50 GJAA COC[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 1468712118 QPWHPZJDXAAUSP-KRWDZBQOSA-N 396.796 4.958 0 50 GJAA C[C@H]1C(C(=O)N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)=Cc2ccccc21 1875263001 PCKDFWKSHDJAMD-GOSISDBHSA-N 396.490 4.515 0 50 GJAA Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 635798 NAWVBLZNAIAHLQ-FCHUYYIVSA-N 398.491 4.861 0 50 GJAA O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3c21 950312 VNYNFCCPJRJAKB-UHFFFAOYSA-N 391.448 4.906 0 50 GJAA CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950697 JYQZZQFEACSKKI-LBPRGKRZSA-N 388.803 4.569 0 50 GJAA O=C(c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12)C1CCCCC1 1072962 SOVCVJUVHLGDKL-UHFFFAOYSA-N 386.495 4.994 0 50 GJAA COc1ccc(C(=O)N[C@@H](Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1446727 FQYKRNZMYTYPMX-MRXNPFEDSA-N 387.694 4.542 0 50 GJAA biogenic COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CCCC2 1773374 AKMZUPUHCDSOEP-UHFFFAOYSA-N 387.501 4.520 0 50 GJAA COc1ccc(C(=O)CSc2nnc(-c3cccc4ccccc34)o2)cc1 4834808 NCWOIBXRQDLYFN-UHFFFAOYSA-N 376.437 4.873 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 6700778 MDJDENWTVRSQLN-UHFFFAOYSA-N 399.899 4.875 0 50 GJAA Cc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 9331305 JYWLODPQKSJMCV-UHFFFAOYSA-N 388.290 4.837 0 50 GJAA COc1ccc(N[C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 11817511 CTVAEPIHLBWWKD-OAHLLOKOSA-N 393.409 4.822 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 12004409 PGZXIUZHHXSDOG-AWEZNQCLSA-N 394.368 4.971 0 50 GJAA Cc1[nH]c2c(C)cccc2c1CN1CCC[C@](CO)(Cc2ccccc2F)C1 12192267 MCUWRUALBFOZFG-DEOSSOPVSA-N 380.507 4.741 0 50 GJAA CC(C)=CC(=O)N(Cc1cccnc1)CC1CCN(Cc2ccccc2C)CC1 12304644 IDKVLKBPIXUTAZ-UHFFFAOYSA-N 391.559 4.597 0 50 GJAA COC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 12585866 JZZMMVOGYIZJKR-IBGZPJMESA-N 381.564 4.993 0 50 GJAA COc1cc(CN(Cc2ccccn2)C(C)=O)ccc1OC1CCCCCC1 14971740 CMFRVBKIBRCZOR-UHFFFAOYSA-N 382.504 4.741 0 50 GJAA O=C(O)CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 32098752 RVUHFAQCWRGTJH-UHFFFAOYSA-N 382.463 4.741 0 50 GJAA C[C@@H](Oc1ccccc1Cc1ccccc1)c1nc(-c2ccnc3ccnn23)no1 813346604 SFJNABNSENPCQF-MRXNPFEDSA-N 397.438 4.510 0 50 GJAA C[C@@H]1CN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)Cc2ccccc21 2325866606 RJCOONAUPABXMF-GOSISDBHSA-N 380.495 4.788 0 50 GJAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nncc(C)c3C)cc2)c1 2356163797 RHKKGHAYSVTWBY-QFIPXVFZSA-N 387.483 4.746 0 50 GJAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(SC(F)(F)F)cc1 856521 FLUJXWHYRTYBQM-AWEZNQCLSA-N 398.431 4.740 0 50 GJAA COc1ccc([C@@H](CC(=O)Nc2ccc(OC)cc2OC)c2ccccc2)cc1 1135402 APKPZMOPHYBJEU-NRFANRHFSA-N 391.467 4.873 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 1199920 HZTDQMWTXQQCAA-GFCCVEGCSA-N 375.465 4.830 0 50 GJAA CC1(C)[C@H]2CC[C@]1(C)CN(C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 1318684 DNUFRGCCNUMJNP-XHNVNVPESA-N 376.544 4.914 0 50 GJAA CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(N)cc1 2835441 DRZBLKRRCHRJTI-UHFFFAOYSA-N 389.322 4.602 0 50 GJAA COC(=O)c1ccc(C)c(NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 2872719 DVCQGFBZHBTTRN-UHFFFAOYSA-N 389.860 4.911 0 50 GJAA Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)c1 7720390 UEFFCPISVVJMIM-UHFFFAOYSA-N 376.243 4.624 0 50 GJAA Cc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1C 8022067 QEHXCWCEILRUEV-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA CN(C(=O)c1cc2ccccc2s1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11702763 YBYYSOCIAMNCAB-HXUWFJFHSA-N 390.552 4.605 0 50 GJAA Cc1ccccc1CCN1CCC(CN(C[C@@H]2CCOC2)C2CCCC2)CC1 12202954 YKJSUMWQHATYCQ-QHCPKHFHSA-N 384.608 4.531 0 50 GJAA COC[C@@H]1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 12837011 CHPSXJUYWBSKJZ-LJQANCHMSA-N 393.506 4.845 0 50 GJAA Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1Cl 15723897 VQOOXTSRBWCNST-UHFFFAOYSA-N 396.874 4.997 0 50 GJAA COc1ccc(Cl)cc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767387 PNZLQHBZRCNPBX-JOCHJYFZSA-N 392.886 4.874 0 50 GJAA O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)s1 126186209 MFHMGAOHUGWPSR-UHFFFAOYSA-N 394.471 4.929 0 50 GJAA Cc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1 170610879 VGRMHOWIOHAGFC-OAHLLOKOSA-N 387.505 4.776 0 50 GJAA O=C(N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1)C1(c2ccccc2)CC1 263619666 ZXOQMCGGLKGWRE-GOSISDBHSA-N 393.874 4.785 0 50 GJAA CC[C@]1(c2ccc(NCc3cccc4ccsc34)cc2)CCC(=O)NC1=O 1875329716 FKQSYLWZRNEIAW-JOCHJYFZSA-N 378.497 4.598 0 50 GJAA CSc1ccc(Cl)c(C(=O)Nc2ccc(OCCn3ccnc3)cc2)c1 2325723483 KTVAMAFXYCVIGD-UHFFFAOYSA-N 387.892 4.590 0 50 GJAA C[C@H](NC(=O)Nc1cnn(C)c1Cc1ccccc1)c1ccc2ncsc2c1 2325825669 YVGCIMFIMCBDLW-AWEZNQCLSA-N 391.500 4.503 0 50 GJAA O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2ncccc2F)CC1 2325875860 DGKWSYGRCNIZHG-UHFFFAOYSA-N 382.460 4.633 0 50 GJAA CCOC(=O)[C@H](Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3)c1ccccc1 622714 IPNYTKGRGODNKH-JOCHJYFZSA-N 392.451 4.663 0 50 GJAA CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 1217384 PABXRMISEJNBIW-UHFFFAOYSA-N 386.455 4.688 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCC2 2103351 FQNBTAUEZXHAJO-MRXNPFEDSA-N 390.332 4.715 0 50 GJAA Clc1ccc(Cl)c(-c2nn3c(COc4ccccc4)nnc3s2)c1 2860398 DXJXXVHVCIHABU-UHFFFAOYSA-N 377.256 4.739 0 50 GJAA COc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 4543185 MYGZQPIVYKQPSD-UHFFFAOYSA-N 390.650 4.682 0 50 GJAA CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCC)cc1 4653323 VKJAPTSWOSWCLQ-NRFANRHFSA-N 397.515 4.807 0 50 GJAA Cc1ccc(CN(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1 11662424 TYRVHMZWASFQOA-UHFFFAOYSA-N 379.460 4.783 0 50 GJAA O=C(NC1CCCC1)c1ccc(N2CCC(NCCC3=CCCCC3)CC2)cc1 12054262 HWXMJCRTHQLDLL-UHFFFAOYSA-N 395.591 4.808 0 50 GJAA O=C(c1csc2nc(-c3ccccc3Cl)cn12)N1CCc2ccccc2C1 12437489 SGFONEIBUIFWMW-UHFFFAOYSA-N 393.899 4.915 0 50 GJAA CSCCCN1CCc2ccc(NC(=O)CCc3ccc(C)cc3)cc2C1 15068165 KOLWVSQGTKGJMU-UHFFFAOYSA-N 382.573 4.678 0 50 GJAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 19867495 NUFRHQUOJBDQHD-QGZVFWFLSA-N 395.453 4.669 0 50 GJAA CCn1cc(-c2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c3cc(C)ccc3n2)cn1 63844998 ZEDQTQRPKAWTJA-CALCHBBNSA-N 376.504 4.830 0 50 GJAA CN(CCCn1cccn1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 95512833 HNXAATMSCJYTRK-NRFANRHFSA-N 381.907 4.607 0 50 GJAA Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c(Br)n1 128169041 CPGQFKTXBYRWSY-UHFFFAOYSA-N 376.641 4.606 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)cn1 245253772 OYOBEWYVPOOXAW-IAWJWOTRSA-N 378.516 4.519 0 50 GJAA COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)c2cn(C)c(C)n2)cc1OC 252482412 DETANKPSJQTBFQ-UTKZUKDTSA-N 393.531 4.689 0 50 GJAA CC(=O)c1ccc(-c2ccc(C(=O)NCc3c(F)cc(F)c(F)c3F)o2)cc1 430834581 DIAORWYQMISYMN-UHFFFAOYSA-N 391.320 4.636 0 50 GJAA Cc1nn(-c2ccccc2)c(N)c1-c1ccccc1C(=O)N(C(C)C)C(C)C 534651659 BJXYUFSXTOHRSN-UHFFFAOYSA-N 376.504 4.689 0 50 GJAA CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(C)C1=S 661323 KBBTVOGOFRAXMR-ZROIWOOFSA-N 381.284 4.673 0 50 GJAA Cc1cccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 941347 UAUVEDHZUAZOST-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA CCCn1c2ccccc2c2nnc(SCC(=O)c3ccc(C)cc3)nc21 2751075 VGMUDKUYIMFLTD-UHFFFAOYSA-N 376.485 4.673 0 50 GJAA CC(C)(C)NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O 3615993 CPFUEANGYZBIQQ-OAHLLOKOSA-N 376.294 4.591 0 50 GJAA CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2ccc(OC)cc12 4708148 KFCPFIIASLIJSB-UHFFFAOYSA-N 388.261 4.887 0 50 GJAA COc1ccc(Br)cc1C(=O)NCC1(c2ccccc2)CCCC1 4803422 SAXCZROTHMEMSY-UHFFFAOYSA-N 388.305 4.700 0 50 GJAA CCc1sc(C(=O)Nc2cccc(Cn3cccn3)c2)cc1Br 4803529 KTGUKMSSEMIHPG-UHFFFAOYSA-N 390.306 4.570 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)cc3)cn2)c1 7383657 RXUXFACBDQAMCB-UHFFFAOYSA-N 389.455 4.735 0 50 GJAA C[C@H](c1ccon1)N(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 11844449 ZVLIPCZVIOHLSQ-CYBMUJFWSA-N 395.846 4.893 0 50 GJAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c2ccccc2n1 95518899 HQYGNSWMCRMVFJ-LJQANCHMSA-N 383.499 4.567 0 50 GJAA CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 170599579 STHRWXTXQHQYEQ-LRDDRELGSA-N 376.909 4.914 0 50 GJAA CCc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)o2)cc1 173419544 KLYRBHYRNGHXFV-UHFFFAOYSA-N 396.830 4.746 0 50 GJAA C[C@H]1CCCN(C(=O)c2cccc(-c3cccc4c(C(N)=O)cccc34)c2)CC1 534645383 IZMYHTIKLQRFHL-KRWDZBQOSA-N 386.495 4.868 0 50 GJAA Cc1ccc(Cc2ccccc2C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529186548 HUGGQLCDNVUZQT-WAPCQROESA-N 390.571 4.777 0 50 GJAA C=CC(=O)N[C@H](CNC(=O)c1cccc2sccc12)c1ccc(C(C)C)cc1 1875385877 DHLPUSKDWHZAMY-HXUWFJFHSA-N 392.524 4.798 0 50 GJAA Cc1cc(Br)cc(C)c1NC(=O)COc1ccc2c(c1)CCCC2 1161706 WGFYWLYAEYSZFP-UHFFFAOYSA-N 388.305 4.962 0 50 GJAA O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1 1205540 UGMDLFKCBWFZOK-UHFFFAOYSA-N 375.251 4.612 0 50 GJAA CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1OC 1799568 GTALKWVVNVJTOC-WYMLVPIESA-N 397.471 4.703 0 50 GJAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2Cl)cc1 3623787 OPCIPTMOZIXPGV-KRWDZBQOSA-N 396.270 4.728 0 50 GJAA CCn1c(SCCOc2ccccc2F)nnc1-c1c[nH]c2ccccc12 4823240 QFKAINCHGQBWOG-UHFFFAOYSA-N 382.464 4.757 0 50 GJAA C[C@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl 11874192 GEEACDKBCJLWAR-NSHDSACASA-N 392.789 4.676 0 50 GJAA CC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CCCC4)CC3)[C@@H]1C2 11951818 DJKZSCNOKOITFY-FPOVZHCZSA-N 396.579 4.641 0 50 GJAA CC[C@@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)cc1 20385870 SNMTVSOFDHGHER-QGZVFWFLSA-N 385.552 4.854 0 50 GJAA Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(C(F)F)n1 35076028 SXSGXWCSHSVPGB-UHFFFAOYSA-N 381.304 4.694 0 50 GJAA in-vitro Cc1c(NCc2cccnc2)cccc1-c1nc(C(C)C)nn1-c1ccccn1 65409325 MGQWOQPYNPKYRY-UHFFFAOYSA-N 384.487 4.768 0 50 GJAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc(CSc3ccccn3)cc2)c1 65432519 YBFAIEBCYGDONZ-SFHVURJKSA-N 391.540 4.781 0 50 GJAA CSc1ccccc1-c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 67774396 PWGAMZDXDMNSDV-SFHVURJKSA-N 396.556 4.938 0 50 GJAA C[C@H]1CC[C@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 170608149 LEKUIOBLMBPCSS-FUHWJXTLSA-N 399.585 4.833 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCN2Cc2cnc(-c3cccs3)nc2)cc1 215134698 MRQWPEJVKALUFH-HXUWFJFHSA-N 378.545 4.604 0 50 GJAA CC(C)c1sc(Cl)nc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 252504789 VLHMIPHLRLGLJO-CYBMUJFWSA-N 376.913 4.923 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC([C@H](O)c2cccs2)CC1 827908316 DNUPJLSOZATWMA-INIZCTEOSA-N 384.423 4.744 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2Cc2cn(C)nc2-c2ccccc2)cc1 1506423328 FCSOBWJLOBIDTE-XMMPIXPASA-N 388.559 4.876 0 50 GJAA CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c2ccccc12 1775994054 RBQOXEKFMLHMPP-UHFFFAOYSA-N 391.876 4.701 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N[C@H]1C[C@@H]1Cc1ccccc1 1875260406 XOEPOWWKUAOOSU-BOBXNGDZSA-N 388.442 4.774 0 50 GJAA CO[C@H](C)Cn1ccnc1-c1ccc(-c2ccc(C)cc2-c2cnn(C)c2)o1 2356145274 JAZHAGOGGYKFEX-MRXNPFEDSA-N 376.460 4.554 0 50 GJAA Cc1cccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1C 887675 JYPYKZZCZSBAJV-MRXNPFEDSA-N 394.418 4.764 0 50 GJAA O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 1144913 OREHBBJEAOZOQJ-UHFFFAOYSA-N 378.859 4.565 0 50 GJAA CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 1146576 WEJVVYWGPONBOF-ZDUSSCGKSA-N 376.909 4.598 0 50 GJAA Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NC1CCCCCC1 2829407 XLXKKOFHPWQJGC-UHFFFAOYSA-N 380.410 4.534 0 50 GJAA Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)sc2c1 2954737 ZOGPLQDUZLYUPK-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA Cc1ccccc1[C@H](CC(=O)N1CCC(N2CCCC2)CC1)c1ccccc1 12387324 UDAYYRFRFJATPB-XMMPIXPASA-N 376.544 4.604 0 50 GJAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 12588903 HTDIVYGQDLLFRX-MRXNPFEDSA-N 391.389 4.529 0 50 GJAA COc1ccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)c(OC)c1 15070654 BUQCVLNXPNLUGH-UHFFFAOYSA-N 395.499 4.688 0 50 GJAA COc1ccc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1 23280259 KOLZYGIJASISQM-UHFFFAOYSA-N 376.269 4.886 0 50 GJAA Cc1ccc(C)c(-n2cc(CN[C@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 55154791 VQHHTBWGIRLLGR-LJQANCHMSA-N 383.499 4.797 0 50 GJAA Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccc(SCc3ccco3)cc2)n1 96154098 JZBWBPDAXRCEQL-OAHLLOKOSA-N 384.505 4.595 0 50 GJAA CCN(C(=O)[C@H](C)OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 221952480 WJHPPSCGTRECCL-ZSVPXSECSA-N 389.923 4.549 0 50 GJAA CCOC(=O)c1cc(Br)cc(CC)c1NC(=O)c1ccccc1F 225474876 SEGJAINTWHQIGM-UHFFFAOYSA-N 394.240 4.580 0 50 GJAA C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1nc(C2CCCCC2)no1 465442487 XYBBAWKAVRHMAE-LBPRGKRZSA-N 396.413 4.697 0 50 GJAA C[C@H](NC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1ccc(-c2ccncc2)cc1 487311590 PZYIUDBGUJQYNK-AGCMCZDNSA-N 383.495 4.695 0 50 GJAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 1875265786 CBGDCLQOJQYHAP-SXLOBPIMSA-N 392.524 4.729 0 50 GJAA C[C@H](NC(=O)NCc1cccc2ccc(Cl)cc12)c1ccc2c(c1)CC(=O)N2 1875320248 MLIHAVQALMAUSJ-ZDUSSCGKSA-N 393.874 4.548 0 50 GJAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 991954 DAXQMIOUFDEJGR-UHFFFAOYSA-N 396.468 4.547 0 50 GJAA Cc1c(Br)ccc(NC(=O)CSc2nc3ccccc3[nH]2)c1C 1143955 GSGZIZOQTULWRQ-UHFFFAOYSA-N 390.306 4.673 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC[C@H](C)C1)CCC2 1155640 ACMOMDKFBYHODP-AWEZNQCLSA-N 382.529 4.670 0 50 GJAA CCOC(=O)CC1(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CCCCC1 36620488 RWXAJYXRPKZPJS-SFHVURJKSA-N 392.927 4.843 0 50 GJAA Fc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl 54263426 UBNVYAJIDLREMW-QPJJXVBHSA-N 389.927 4.507 0 50 GJAA CCCSCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67741684 QNUVYYLCUAJOPY-UHFFFAOYSA-N 391.920 4.577 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccccc21 169774037 KJBXLBDSFWUAHB-QHCPKHFHSA-N 398.510 4.707 0 50 GJAA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)c2C)c1 178811250 PRABKLOWUUEODF-OAHLLOKOSA-N 380.414 4.604 0 50 GJAA Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@H]2C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 239305883 GDRAUJABWXLFGX-YRJNGXSBSA-N 379.887 4.886 0 50 GJAA CN(Cc1ccccc1CN1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 426690751 UTDCMPWYRBRFOF-QHCPKHFHSA-N 377.532 4.501 0 50 GJAA Cc1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)n(-c2ccccc2)n1 463251923 HIXDANBHVQHKPC-UHFFFAOYSA-N 381.304 4.730 0 50 GJAA O=C1CC[C@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c2ccccc21 1436908039 AQJXYBJYBGFXNP-HNNXBMFYSA-N 399.372 4.590 0 50 GJAA CCOc1ccc2nc(N3CCC(Oc4cncc(Cl)c4)CC3)sc2c1 1875298923 SAPKKIYDPCOUNV-UHFFFAOYSA-N 389.908 4.791 0 50 GJAA COc1cnccc1-c1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1 2356140194 YIWFOZJXXOJCQP-RUZDIDTESA-N 386.495 4.951 0 50 GJAA C[C@H](C[C@@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 1022327 AMSBUBOVKJWMOA-UZUQRXQVSA-N 398.470 4.543 0 50 GJAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2 1157508 PURLFPZUROPVKC-UHFFFAOYSA-N 393.826 4.595 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 1205105 JNKOHQBZAOTSRN-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA Cc1ccc(NC(=O)Nc2nnc(Sc3ccc(N(C)C)cc3)s2)cc1 2978129 RRGWXFKFLWYJJF-UHFFFAOYSA-N 385.518 4.708 0 50 GJAA COc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 2980865 DFZPEFUDPKIHKC-UHFFFAOYSA-N 381.859 4.858 0 50 GJAA COc1ccc(-c2nnn3c2nc(NCc2ccc(C)cc2)c2ccccc23)cc1 6738872 GZMKREADQFCOQV-UHFFFAOYSA-N 395.466 4.874 0 50 GJAA O=C(NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1 12243330 LFJKIRZVFUKJHP-FQEVSTJZSA-N 388.442 4.571 0 50 GJAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2ccsc2)C1 12586318 KPGHCQHOJYCFEA-QFIPXVFZSA-N 385.529 4.557 0 50 GJAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1 14948071 QYXPDXICGGEYPI-GOSISDBHSA-N 391.467 4.793 0 50 GJAA Cc1ccc(C)c(-n2cc(CN[C@@H](C)c3ccncn3)c(-c3ccccc3)n2)c1 55154790 VQHHTBWGIRLLGR-IBGZPJMESA-N 383.499 4.797 0 50 GJAA C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(F)cc1F 222002873 DLLDGVJKTUQXEH-MKIWLTPFSA-N 398.291 4.876 0 50 GJAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc2cnccc12 252670202 JVXCUWRIIVUXPU-FDDCHVKYSA-N 388.515 4.609 0 50 GJAA COc1ccccc1-c1cc2c(c(OC)c1)OCCN(Cc1cccs1)C2 299771547 TXUZLCIRFYPVSB-UHFFFAOYSA-N 381.497 4.827 0 50 GJAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3ccc4cccnc4c3)C2=O)cc1 2356165827 PUUCIHHMPUDJIT-VWLOTQADSA-N 385.511 4.705 0 50 GJAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1 674340 NACPLEODXAOLAY-UHFFFAOYSA-N 386.517 4.623 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 727049 RWJRANODJDQJIA-KRWDZBQOSA-N 390.270 4.568 0 50 GJAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C1(c3ccccc3)CCCC1)CC2 820018 BEFNZMLFQVKDCS-QGZVFWFLSA-N 379.500 4.662 0 50 GJAA biogenic COc1ccc(NC[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1 947996 PJFYFRZNPSENRP-KRWDZBQOSA-N 378.497 4.771 0 50 GJAA COC(=O)c1c(NC(=O)c2oc3cc(C)c(C)cc3c2C)sc(C(C)=O)c1C 1130626 USJHDYNGQUTJTF-UHFFFAOYSA-N 399.468 4.969 0 50 GJAA COc1ccc(O[C@@H]2C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 2796849 GKPLVSYLGAWFIO-VXKWHMMOSA-N 377.415 4.678 0 50 GJAA COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5611813 ALTPZJDOUFZYFT-DENIHFKCSA-N 391.858 4.986 0 50 GJAA COc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 11842472 SWJCBQXEIDBXBI-OAHLLOKOSA-N 396.487 4.869 0 50 GJAA CC(=O)c1cccc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)c1 12049156 ZJQFJWANBUBFEM-VWLOTQADSA-N 398.591 4.525 0 50 GJAA CC(C)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 96141310 BNSWLCFPGPSTEZ-HXUWFJFHSA-N 385.533 4.560 0 50 GJAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 169774036 KJBXLBDSFWUAHB-HSZRJFAPSA-N 398.510 4.707 0 50 GJAA Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 263616063 GTZIECXDBWPYFI-SFHVURJKSA-N 396.809 4.664 0 50 GJAA Cc1ccc([C@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)s1 299755660 BKIVFTYCAYOMCT-GOSISDBHSA-N 383.494 4.604 0 50 GJAA O=C(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)N1CCC2(CCO2)CC1 299756490 FZENPHACKKJROW-UHFFFAOYSA-N 375.390 4.768 0 50 GJAA CCOC1CCN(C(=O)c2cccc(-c3ccc(OC(F)F)cc3)c2)CC1 426436853 ZTJBAMMZXDVDBC-UHFFFAOYSA-N 375.415 4.596 0 50 GJAA O=C(Cc1cc(F)ccc1F)Nc1ccc(Oc2cccc(F)c2F)nc1 487155996 RNTGCDGKHKPBHR-UHFFFAOYSA-N 376.309 4.612 0 50 GJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1Cl 827848433 MAHXPPYGXKDDMP-UHFFFAOYSA-N 380.822 4.784 0 50 GJAA CCc1nc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)co1 1438315371 JOTYIYFQKYGRQP-UHFFFAOYSA-N 390.365 4.571 0 50 GJAA C[C@@H]1CSc2ccccc2[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 1875256632 KIHNLUBBPMQPEL-ZHRRBRCNSA-N 389.524 4.907 0 50 GJAA CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)c(Br)cc1C 1875319272 VSCYYKKXIJXPOU-UHFFFAOYSA-N 396.350 4.992 0 50 GJAA COc1cc(Br)c(CNCc2ccc3ccoc3c2)c(OC)c1 2325725424 CUINMTUCAUJDJI-UHFFFAOYSA-N 376.250 4.502 0 50 GJAA COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 701893 PAOGGZSGIWSFFK-UHFFFAOYSA-N 379.412 4.757 0 50 GJAA Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C 1145763 LSNNSVORQRSJBO-UHFFFAOYSA-N 380.469 4.635 0 50 GJAA CC1(C)C[C@H](n2c(SCCc3ccccc3)nc3ccccc3c2=O)CCO1 4795362 OSXFKGDAGJBZAU-GOSISDBHSA-N 394.540 4.861 0 50 GJAA Cn1c([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)nc2ccccc21 11935958 SFMZUCBLEBSWCA-HSZRJFAPSA-N 382.467 4.795 0 50 GJAA O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)Nc1ccc(F)c(Cl)c1 12763533 QVAZNSUZHHTLMQ-UHFFFAOYSA-N 378.875 4.547 0 50 GJAA COCc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 14964313 DVFRNSDRCFYOAD-HNNXBMFYSA-N 381.394 4.540 0 50 GJAA Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n[nH]1 15079832 JXHFTMLODFSDGA-LJQANCHMSA-N 377.463 4.619 0 50 GJAA Cc1nc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cs1 20994785 WQJOEFYEUNRQGC-UHFFFAOYSA-N 390.512 4.647 0 50 GJAA CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1 71415835 HJRFWSKUDREGTB-HNNXBMFYSA-N 385.817 4.850 0 50 GJAA Cc1ccccc1COc1ccccc1C(=O)N(CCCN)Cc1cccs1 86012688 ZSPIWBDDJFZIBI-UHFFFAOYSA-N 394.540 4.627 0 50 GJAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 91737036 OFSXYMRZYOHMLQ-LJQANCHMSA-N 377.463 4.729 0 50 GJAA C[C@H](NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 169620366 NEOBKRYJEBKVCY-INIZCTEOSA-N 392.886 4.860 0 50 GJAA O=C(O)CC[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 217020458 WBEPFERYCYWNOI-OPAMFIHVSA-N 393.483 4.949 0 50 GJAA COc1cccc([C@H]2CC(c3ccsc3)=NN2C(=O)c2ccccc2C)c1 241515595 OGKMYXRJMPQAMA-OAQYLSRUSA-N 376.481 5.057 0 50 GJAA CC[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)CCO1 1875258654 NWDLCGOFEMASRS-SOLBZPMBSA-N 386.467 4.786 0 50 GJAA CC1(C)Cc2nc(O)c(-c3noc(CCCCN4CCCC4)n3)cc2C(C)(C)C1 1875357279 ZJOAKNQBMGECRI-UHFFFAOYSA-N 398.551 4.506 0 50 GJAA O=C(Oc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccccc1 829898 NQIPWKPOKFIRIQ-UHFFFAOYSA-N 397.224 4.888 0 50 GJAA Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 939232 BTFINGUMPLHWMU-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1Cl 941270 YYRDQERBQFLGQV-UHFFFAOYSA-N 375.255 4.701 0 50 GJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCC2)c1ccccc1Cl 1104462 HYRMZPJQQGMXOQ-UHFFFAOYSA-N 388.920 4.769 0 50 GJAA Cc1ccc(Oc2ccc(C(F)(F)F)cn2)c(I)c1 1141199 VZCSALRQRZJQJN-UHFFFAOYSA-N 379.119 4.806 0 50 GJAA CC1(C)C[C@H]([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 1175605 VFBYROKFRKGQQU-RTBURBONSA-N 377.484 4.662 0 50 GJAA Cc1c(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)oc2ccccc12 1178827 BXVAMFBFTSNODK-UHFFFAOYSA-N 378.375 4.887 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1 1180694 WTIUHYNXOBBQJM-XCVCLJGOSA-N 395.709 4.629 0 50 GJAA COc1ccc(NC[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 4139210 PJFYFRZNPSENRP-QGZVFWFLSA-N 378.497 4.771 0 50 GJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cc1 12073980 DHILJFHDRJSJFX-HSZRJFAPSA-N 382.573 5.000 0 50 GJAA O=C(Cc1ccc(F)cc1)N(Cc1cccc(OC[C@H]2CCCCO2)c1)C1CC1 12282078 GCLUHCVUESWSHQ-HSZRJFAPSA-N 397.490 4.507 0 50 GJAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CCCCC2)C3)c1 14998204 MTYXJLIHZMGPTJ-UHFFFAOYSA-N 395.499 4.672 0 50 GJAA O=C(CCC(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1)c1ccccc1 15068579 RILWNLLVVXOTBL-VWLOTQADSA-N 396.575 4.544 0 50 GJAA Cc1ccc(C(=O)N(Cc2cccc(OCCN3CCCCC3)c2)C2CC2)cc1 15071992 VJBWFGKXQYTFKO-UHFFFAOYSA-N 392.543 4.665 0 50 GJAA O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1O 18143040 DOACPULUEQQBJN-UWXQAFAOSA-N 395.458 4.635 0 50 GJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)n1 64801262 GUSAXMKXZWKHSS-UHFFFAOYSA-N 376.464 4.913 0 50 GJAA Cc1cc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)nc2ccccc12 77438047 YQVVEIRLTIXYAT-UHFFFAOYSA-N 385.511 4.562 0 50 GJAA O=C(Nc1cccc(CN2CCC[C@H](c3ccn[nH]3)C2)c1)c1ccccc1Cl 121182443 WGJGAMODOIICPH-KRWDZBQOSA-N 394.906 4.695 0 50 GJAA CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2CCC(C)C)cc1 239309378 HMFLCOGHDAOZKE-YHBROIRLSA-N 384.564 5.708 0 50 GJAA CC[C@H](C)[C@H](NC(=O)[C@@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 263587787 LETXEFIBVVVPKP-IPELMVKDSA-N 384.549 4.562 0 50 GJAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N(C)C[C@@H]1CCCO1 823633928 FMONAYSOQJVFFD-IBGZPJMESA-N 379.456 4.571 0 50 GJAA O=C(NCc1ccco1)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952963574 AWPBUXMMHVTCDI-UHFFFAOYSA-N 383.860 4.777 0 50 GJAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3c2cc(C(=O)N3CCCC3)ccn2)ccc1F 1704302319 HTMRMICJUGEEQE-WKCHPHFGSA-N 393.506 4.680 0 50 GJAA CCn1cnc2c1CCN(Cc1ccc(-c3cccs3)cc1)C21CCOCC1 1775962892 SRCCIUQFEWOAOS-UHFFFAOYSA-N 393.556 4.696 0 50 GJAA O=C(NC12CCC(F)(CC1)CC2)c1cc(-c2cccnc2)nc2ccccc12 1875265907 VHQIHUXYSGAZGD-UHFFFAOYSA-N 375.447 4.842 0 50 GJAA CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](c1cccc(F)c1)C1CC1 1875389523 RCMUPNAAAVPQOX-SFHVURJKSA-N 381.900 4.514 0 50 GJAA Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cn1 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KIHNLUBBPMQPEL-AOMKIAJQSA-N 389.524 4.907 0 50 GJAA Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1 600761 UOEJSOXEHKCNAE-UHFFFAOYSA-N 381.439 4.843 0 50 GJAA Cc1c(OCC(=O)Nc2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 950203 JPKOEJKAQDTTHC-UHFFFAOYSA-N 385.419 4.786 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1 1115317 SUUXYGWXVTZNFE-PKNBQFBNSA-N 396.830 4.846 0 50 GJAA CC(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1181458 ZNHGJJAHDPIYGW-UHFFFAOYSA-N 388.492 4.534 0 50 GJAA CCOC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(C)=O 1393785 FAHXSJXOBJPUOP-UHFFFAOYSA-N 379.283 4.917 0 50 GJAA COc1ccc(CNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1 2760814 UWMGHDMTHUAJRX-UHFFFAOYSA-N 385.847 4.759 0 50 GJAA c1nc(SCc2csc(C34CC5CC(CC(C5)C3)C4)n2)c2nc[nH]c2n1 4626322 KZQFMYRJFAJTME-UHFFFAOYSA-N 383.546 4.570 0 50 GJAA Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)c(Cl)c1 5064118 RVVFLLXPMSYIOX-KRWDZBQOSA-N 388.817 4.682 0 50 GJAA Cc1cccc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)n1 12208236 QWECBNVSYCSLQX-QHCPKHFHSA-N 392.591 4.832 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 12710073 AULVGJITDZDFMO-GOSISDBHSA-N 385.577 4.898 0 50 GJAA O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2snnc2c1 15828429 FNYDVWCSLYFVJR-UHFFFAOYSA-N 386.889 4.644 0 50 GJAA COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)c1 25781799 YJSUDLJDICUKHV-GCJKJVERSA-N 376.412 4.539 0 50 GJAA Cc1ncc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)s1 55271989 HAEGXCXFVVAFAT-NRFANRHFSA-N 398.620 4.893 0 50 GJAA CCCc1cc(Cn2cnc(-c3ccccc3)c2[C@H]2CCCN(CC)C2)on1 65408248 LYPNVFXGPQEHLD-IBGZPJMESA-N 378.520 4.738 0 50 GJAA CSc1cccc(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 72425785 BYRCRYDYEXPHQI-UHFFFAOYSA-N 379.529 4.542 0 50 GJAA O=C(N/C(=C/c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 74921887 QYKJHRNYJRVXQS-HYARGMPZSA-N 385.419 4.651 0 50 GJAA in-vitro Cc1c(CN2CCC3(CC2)CC(=O)N(CC(C)C)C3)[nH]c2ccc(Cl)cc12 95359082 HMYGHHNVMLYUGI-UHFFFAOYSA-N 387.955 4.600 0 50 GJAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 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1109745 SRENHPQUQFDUOU-FQEVSTJZSA-N 384.483 4.987 0 50 GJAA O=C(C1CCCCC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1457111 OTQOZAKAXWBPIV-UHFFFAOYSA-N 377.528 4.741 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1ccccc1OCc1ccccc1)CC(=O)N2 1460053 FUMANVHRUZPSFN-GOSISDBHSA-N 389.451 4.757 0 50 GJAA Cc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)c(Cl)c1 9875212 VTNGWAPOXVMBFX-UHFFFAOYSA-N 386.908 4.612 0 50 GJAA CN(Cc1ccon1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 11873700 IJTIWXBIFBMZSI-UHFFFAOYSA-N 398.466 4.965 0 50 GJAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 17208968 IWSPRGXXCVWVJM-UHFFFAOYSA-N 395.867 4.681 0 50 GJAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 21791941 CTCRVSDYIFMUTC-IBGZPJMESA-N 386.879 4.815 0 50 GJAA CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H]3C)c2C)cn1 63847796 IVCPEXJDFQMRCA-MRXNPFEDSA-N 376.504 4.750 0 50 GJAA Cc1ccc2c(C(=O)N3CCC(C)CC3)cc(-c3cnn(C(C)C)c3)nc2c1 63857677 NEJKJROKFPIFGA-UHFFFAOYSA-N 376.504 4.860 0 50 GJAA COC[C@H]1CCN(Cc2cc3ccc(OC)cc3nc2-c2cccc(C)c2)C1 72435525 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O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1ccco1 959581 FOVCLSNJVDVHKL-UHFFFAOYSA-N 389.480 4.745 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1 1169235 QIDCBGJYIITCEQ-UHFFFAOYSA-N 391.899 4.596 0 50 GJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nccs1 4724531 NSWQAOWDOBCLIO-FLIBITNWSA-N 390.443 4.787 0 50 GJAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2c(F)cccc2F)cc1C 12198102 YDDNBJVOKFDBGL-IBGZPJMESA-N 381.426 4.575 0 50 GJAA Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 12407706 BMTZXFLTDQSVFB-GOSISDBHSA-N 398.915 4.986 0 50 GJAA CSCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 15069576 JYAVVUBGTQEIJU-HXUWFJFHSA-N 396.556 4.592 0 50 GJAA Cc1cccc(-c2nc(CN3CCN(c4cccc(C)c4C)CC3)c(C)o2)c1 19148657 CGYCWZVSFMGPNX-UHFFFAOYSA-N 375.516 4.897 0 50 GJAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccccc2)on1 32593955 FRSYHUKQCZXNDL-FQEVSTJZSA-N 395.890 4.562 0 50 GJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 35476509 QWPXDYYZIOBZJS-KRWDZBQOSA-N 390.867 4.735 0 50 GJAA CNC(=O)c1ccc(CN2CCCC(c3ccccc3)(c3ccccc3)C2)cc1 95509409 MQVWMWJLUIFHTH-UHFFFAOYSA-N 384.523 4.628 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H]1CCO[C@@H](C)C1)CC2 170592987 VIBMWMUNMXVJMU-WJONJSRFSA-N 387.545 4.528 0 50 GJAA O=C(NC[C@H]1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1)C1CC1 952985944 CARNQSLBBVZIPA-GOSISDBHSA-N 385.511 4.644 0 50 GJAA Cc1ccc(CN(C)CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cc1 952988391 IEFTYFWOXLGEMD-UHFFFAOYSA-N 393.531 4.503 0 50 GJAA O[C@H](c1ccccc1)c1nnc(SCc2cccc(F)c2)n1-c1ccccc1 643313 YRBBICNLUIYJCA-HXUWFJFHSA-N 391.471 4.780 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc(C)c1C 715626 JLHBQSXNFYQFLN-UHFFFAOYSA-N 375.490 4.683 0 50 GJAA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 872729 ZSVCYSWIMFTESD-CQSZACIVSA-N 382.287 4.747 0 50 GJAA Cc1sc2ncnc(SCC(=O)c3ccc(OC(F)F)cc3)c2c1C 952970 KUPAAIHKJLLRAK-UHFFFAOYSA-N 380.441 4.885 0 50 GJAA CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1Cl 1208558 DZIOGCAWDBOEFC-UHFFFAOYSA-N 384.819 4.836 0 50 GJAA O=C(CCSc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 2879534 KHWVELHSKGHXQU-UHFFFAOYSA-N 389.933 4.903 0 50 GJAA COc1cc(OC)c(C(O)(c2ccccc2)c2ccccc2)cc1Br 4764971 MONHRFTZLBCCOA-UHFFFAOYSA-N 399.284 4.751 0 50 GJAA Cc1oc(-c2cccc(F)c2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 12072729 JNSOOXHDLZWEFU-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1Cc1ccccc1F 12074954 SOJGWHVTDHYVAX-OAQYLSRUSA-N 391.446 4.616 0 50 GJAA COc1ccc(OC)c(C(=O)N(Cc2cccc(OCC(C)C)c2)C2CC2)c1 14969780 LHXABCYZNKPACY-UHFFFAOYSA-N 383.488 4.543 0 50 GJAA O=C(Nc1cccc(CN2CCOCC2)c1)/C(=C/c1ccccc1)c1ccccc1 19850283 ZIZKRLGQUKHJJE-NCELDCMTSA-N 398.506 4.698 0 50 GJAA Cn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 65462948 YBJASUVWKFUGCF-UHFFFAOYSA-N 398.297 4.895 0 50 GJAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 96135680 VEUXRBZPQSRDBY-NRFANRHFSA-N 384.476 4.910 0 50 GJAA CC(C)CC(=O)Nc1ccc(C(=O)N2CCCc3c(F)ccc(F)c32)cc1F 119178581 DNWBDWXXLOEFPZ-UHFFFAOYSA-N 390.405 4.682 0 50 GJAA COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1OC 244898897 ZDNWPEVWMMJZJR-TVUZHURISA-N 379.456 4.699 0 50 GJAA Cc1cc(-c2cccc(C(=O)NCC3(N4CCCC4)CCCCC3)c2)ccn1 299756007 AJGMZBKJBBSYFF-UHFFFAOYSA-N 377.532 4.586 0 50 GJAA O=C(NCC1=CCCCC1)c1cccc(-c2ccc(CN3CCCC3)cn2)c1 534671759 CDPLNGOVARLBPP-UHFFFAOYSA-N 375.516 4.575 0 50 GJAA O[C@@H]1CCC[C@]12CCCN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)C2 1704300605 XULATHDOZLJSBD-IEBWSBKVSA-N 396.478 4.956 0 50 GJAA CC1(C)CC[C@@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1775954847 PWMDKHITLJNSPC-INIZCTEOSA-N 393.483 4.901 0 50 GJAA COc1ccccc1Oc1ccc(-n2ccnc2-c2coc(C(C)C)n2)cn1 1857685045 AVPKAGYZTSBWJJ-UHFFFAOYSA-N 376.416 4.847 0 50 GJAA CC(C)(C)c1ccc(OCc2nc(-c3cccnc3)no2)c(Br)c1 1113635 STLOMPPYWRUXTI-UHFFFAOYSA-N 388.265 4.771 0 50 GJAA C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccccc1)c1ccccc1 1141962 KUFZKUBBNWKECX-KRWDZBQOSA-N 390.508 4.908 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nc2cccc(I)c2)cc1 1179308 PBHRDEYMGXQBQM-UHFFFAOYSA-N 379.241 4.841 0 50 GJAA O=C(Nc1cccc2nc(C(F)(F)F)[nH]c12)c1cccc(Br)c1 4625433 WQNHMMLYQUYVNF-UHFFFAOYSA-N 384.155 4.597 0 50 GJAA Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)CCc3ccccc3)n2)cc1 4831867 IFGFYIWQFHHFNE-UHFFFAOYSA-N 386.455 4.732 0 50 GJAA Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cc2ccccc2o1 4841438 OOJSXAHISYEYCU-UHFFFAOYSA-N 389.440 4.571 0 50 GJAA COc1ccc([C@H]2NC(=O)NC3=Nc4ccccc4NC(c4ccccc4)=C32)cc1 6405468 VEBNNVRVGQHAKT-JOCHJYFZSA-N 396.450 4.616 0 50 GJAA COc1ccc(-c2nc(CN(C)[C@H](C)c3nc(C)cs3)c(C)o2)cc1OC 12302816 RFOMUIJTYDCKBD-CYBMUJFWSA-N 387.505 4.625 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(Cc2ccc3ccccc3n2)CC1 12435464 UKZONYUGKGTOJZ-UHFFFAOYSA-N 380.919 4.705 0 50 GJAA Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCc3cccc(F)c3)c12 20256723 RTJKNYXNVJMZGQ-CYBMUJFWSA-N 398.507 4.623 0 50 GJAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cc(-c2ccncc2)n[nH]1 82087041 KJZHNBDVFOQMMW-UHFFFAOYSA-N 384.439 4.536 0 50 GJAA CCn1c(S[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cnccn1 124366166 LFGMWQKHTHQTIA-SNVBAGLBSA-N 380.304 4.915 0 50 GJAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 135736510 ZZMDCGIDRVEUOO-MBZVMHRFSA-N 385.847 4.818 0 50 GJAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C)ccc1Oc1ccccc1 151094620 ROUJIDLXDQFEDK-KRWDZBQOSA-N 391.475 4.598 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1C[C@@H]31 245227342 CYEABNJSCNPBIF-HXIANDDZSA-N 391.854 4.690 0 50 GJAA CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253619001 GVIBMJZVMHMBKI-QEGBBKHESA-N 384.516 4.733 0 50 GJAA COc1cc(Br)cc(-c2nc(CC3CC3)nn2-c2cccc(C)c2)c1 1875347981 DNOQGLFOAIDLPB-UHFFFAOYSA-N 398.304 4.966 0 50 GJAA CCOC(=O)c1c(-c2cc(C)c(C)c(C)c2)csc1NC(=O)[C@@H]1CCCO1 952969 MXDRAXHXVZEEQF-KRWDZBQOSA-N 387.501 4.635 0 50 GJAA CCOc1cc(C(=O)N[C@@H](C)CCc2ccccc2)cc(OCC)c1OCC 1151216 QYMHJJGFZPDQFJ-KRWDZBQOSA-N 385.504 4.634 0 50 GJAA Cc1ccc(C)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 1180730 MFJBZILIUWIYKQ-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(I)cc1F 1231739 LDROZPKNHLDWOI-UHFFFAOYSA-N 390.583 4.728 0 50 GJAA CCOCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1745273 KBAOSKNSLYJDEZ-UHFFFAOYSA-N 389.451 4.799 0 50 GJAA COc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl 4122569 NLHBZNVKYJCKRV-UHFFFAOYSA-N 390.064 4.720 0 50 GJAA Cc1noc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c1C 4489125 RFAXWVGNSRROSL-UHFFFAOYSA-N 398.029 4.856 0 50 GJAA CCCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1 6700674 KJFGASFSGBSSNY-UHFFFAOYSA-N 389.318 4.709 0 50 GJAA COc1ccc(-c2cc(-c3nnc(S)n3-c3cccc4ccccc34)n[nH]2)cc1 8567420 JKMKHPDQLYERTO-UHFFFAOYSA-N 399.479 4.775 0 50 GJAA Cc1oc(-c2ccc(F)cc2)nc1CN1CCC([C@H](O)c2cccs2)CC1 12439439 ARVXMRTXLDMDES-FQEVSTJZSA-N 386.492 4.796 0 50 GJAA C/C(=C\C(=O)NC1CCCCC1)OP(=O)(OCC(C)C)OCC(C)C 22014741 SBMHOCAVDXRHOU-LFIBNONCSA-N 375.446 4.809 0 50 GJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)no1 35476316 JHGVGPNPZOVHFF-SFHVURJKSA-N 382.847 4.981 0 50 GJAA CCS[C@H](C)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67878387 LUFRRVVFYYSKJH-CYBMUJFWSA-N 391.920 4.575 0 50 GJAA Fc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1F 128737094 ABANXBDEOKZGIT-ZDUSSCGKSA-N 393.484 4.756 0 50 GJAA COc1cccc(-c2nsc(NC(=O)c3cc(C)c(F)cc3Cl)n2)c1 129626148 VVLHASKYPJWQPR-UHFFFAOYSA-N 377.828 4.567 0 50 GJAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCCC2)CC1 176485069 SZPNCLITCCLBQW-QGZVFWFLSA-N 383.536 4.932 0 50 GJAA COc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)Cc3ccccc3C)o2)cc1 225564036 YUUUZKMJJNPEOR-GOSISDBHSA-N 392.499 4.681 0 50 GJAA O=C(NCc1cccs1)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 263639819 KJGBLJJIVOYHKM-UHFFFAOYSA-N 378.375 4.884 0 50 GJAA O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cnc(-c2ccncc2)s1 432718174 OFGALZHWSTZJPJ-UHFFFAOYSA-N 397.463 4.796 0 50 GJAA C[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(-c2ccncc2)cc1 473080446 XPJIFWXBJMEPPR-QGZVFWFLSA-N 383.455 4.817 0 50 GJAA C[C@H](NC(=O)N[C@H]1CCC(C)(C)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 1311523285 HAGBZPYPFIESKR-VCBZYWHSSA-N 386.540 4.546 0 50 GJAA COc1ccc(OC)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 640525 IYXIKYXLEDBNMC-UHFFFAOYSA-N 376.456 4.938 0 50 GJAA COc1ccc(OC)c(NC(=O)Nc2c(C)cc(Br)cc2C)c1 640907 GHQRJQMSQDBWDI-UHFFFAOYSA-N 379.254 4.727 0 50 GJAA CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 851915 YBTIQMOFMPWMIG-UHFFFAOYSA-N 378.428 4.819 0 50 GJAA Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 939233 APACGUDWMWRWIH-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccccc3)nc12 993239 PPFOBOODJVZGFF-MRXNPFEDSA-N 380.875 4.772 0 50 GJAA C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 1017543 JTUSTXAYPJQERE-MRXNPFEDSA-N 392.886 4.615 0 50 GJAA COC(=O)c1c(-c2ccncc2)csc1NC(=O)c1oc2ccccc2c1C 1055026 ZDJFKEUVFDRREO-UHFFFAOYSA-N 392.436 4.904 0 50 GJAA Cc1c(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)oc2ccccc12 1178228 JXSGGKILXIKSEP-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA O=C(NC(=S)NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 2726809 UKOKSHQURDITRO-UHFFFAOYSA-N 397.503 4.706 0 50 GJAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 4247384 VCYNYDDQIALWTR-UHFFFAOYSA-N 389.201 4.510 0 50 GJAA biogenic COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1OC 4281938 XBDHREMDDJXHEO-GBXCKJPGSA-N 386.451 4.946 0 50 GJAA CC(=O)c1cccc(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)c1 12718627 XKUPIRNRBUHQIQ-DEOSSOPVSA-N 380.507 4.516 0 50 GJAA Cc1sc(NC(=O)c2ccncc2)c(C(N)=O)c1-c1ccc(C(C)C)cc1 13327788 CRTRZECBPKFWJA-UHFFFAOYSA-N 379.485 4.593 0 50 GJAA CCn1cc(-c2cc(C(=O)N(C)C3CCCCCC3)c3ccccc3n2)cn1 63856938 WURWMHKJTCZOPT-UHFFFAOYSA-N 376.504 4.913 0 50 GJAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4cc[nH]c4c3)nc2)C1 67955801 MOHZCWODXCSAGM-FQEVSTJZSA-N 389.499 4.697 0 50 GJAA Cc1noc(C)c1CC(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1 71730374 PTEIWTLVFZVKNB-UHFFFAOYSA-N 391.446 4.746 0 50 GJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3[nH]c4c(F)cccc4c3C)[nH]c2c1 82109746 URCHSSINFUYMGH-GOSISDBHSA-N 376.435 4.777 0 50 GJAA COc1ccc(NCc2nnc(-c3cccc(Br)c3)o2)c(Cl)c1 133628359 XDXMHSPAJYOOFU-UHFFFAOYSA-N 394.656 4.773 0 50 GJAA C[S@@](=O)Cc1ccc(Cl)c(NC(=O)c2ccc(Nc3ccncc3)cc2)c1 170647682 CYOUCJCAJMHLOE-HHHXNRCGSA-N 399.903 4.609 0 50 GJAA CC[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)c2cccc(Cl)c2O1 253393757 OKEGWFWEEFZVAE-LBPRGKRZSA-N 385.876 4.676 0 50 GJAA O=C(Nc1ccc(-c2nncs2)cc1)N1CC2(CCC2)[C@H]1c1ccccc1 298027855 FMPSHIQWLZVRKL-GOSISDBHSA-N 376.485 4.964 0 50 GJAA COC[C@H]1CCCN(C(=O)c2ccc(-c3c(O)ccc4ccccc34)cc2)C1 426652181 ZUNBKNSOSJTCOI-KRWDZBQOSA-N 375.468 4.711 0 50 GJAA Cc1cnccc1C(=O)NCC1CCN(Cc2ccc(C3CCCC3)s2)CC1 828193906 AXRHAOWMNKLKSG-UHFFFAOYSA-N 397.588 4.751 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 1092488 OACNFLTXWBKKIS-ZCOIRKDISA-N 393.486 4.956 0 50 GJAA biogenic COc1ccc(Cl)cc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1138437 KLOLQAALCKIEIE-UHFFFAOYSA-N 394.283 4.697 0 50 GJAA COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 1140491 YFAMWPSJJTVMFM-UHFFFAOYSA-N 379.412 4.757 0 50 GJAA O=C1O[C@](Nc2cccc(Br)c2)(c2ccccc2)c2ccccc21 2771318 BZWMDZUEXRAVSL-HXUWFJFHSA-N 380.241 4.933 0 50 GJAA Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(C)c3Cl)c2n1 6485579 POLOIRJWVKKNSC-UHFFFAOYSA-N 382.268 4.926 0 50 GJAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CCC2(C)CC2)CC1 11816536 RXVQKGLDEYFQEB-UHFFFAOYSA-N 391.939 4.635 0 50 GJAA CC(=O)c1ccc(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)cc1 12093374 WSIHLWMZRITVSC-RUZDIDTESA-N 396.575 4.788 0 50 GJAA Cc1c(C(=O)Nc2nnc(C(C)C)s2)sc2nc(-c3ccccc3)cn12 13689851 LHUHOIUTSIGXIJ-UHFFFAOYSA-N 383.502 4.598 0 50 GJAA CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCO)[C@@H]2[C@@H]1O 141847474 HYCMOIGNYNCMRH-APIYUPOTSA-N 392.624 4.632 0 50 GJAA CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 239425966 VOBPLYTZZFXTBP-ZCYQVOJMSA-N 384.479 5.716 0 50 GJAA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccc(Cl)c1Cl 253426948 JKKOXPWQMKZOBN-INIZCTEOSA-N 394.327 4.657 0 50 GJAA O=C(c1ccccc1C(F)(F)F)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857722695 NZUCHQPDGMOGMH-RBUKOAKNSA-N 375.390 4.698 0 50 GJAA O=C(Nc1nnc(SCc2ccccc2F)s1)[C@H]1C[C@@H]1c1cccs1 1857798906 FZBRLFTXSZGTNN-RYUDHWBXSA-N 391.518 4.773 0 50 GJAA Cc1nc(C2CC2)sc1C(=O)OCc1ccc(OCc2cccnc2)cc1 2325738235 ICWZSVINBGBCEN-UHFFFAOYSA-N 380.469 4.660 0 50 GJAA Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 1063389 XMRMBLLRVOEHCU-HOTGVXAUSA-N 390.821 4.988 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12 1182110 LTGYLRAGPGGNJC-UHFFFAOYSA-N 382.419 4.561 0 50 GJAA O=C(Cc1ccccc1)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 1446748 HSPCTYWVZVPZHV-HNNXBMFYSA-N 392.113 4.807 0 50 GJAA CC(=O)n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nc2ccccc21 4741817 SIPWMOLQEWEKGW-AWEZNQCLSA-N 389.480 4.969 0 50 GJAA O=C(NCc1ccco1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 4806270 RGTPRORXSOADTG-UHFFFAOYSA-N 393.826 4.560 0 50 GJAA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2Cl)CC(=O)N1 4913272 VVZPCTNPSNKGMV-QGZVFWFLSA-N 375.896 4.874 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1 12434783 OJGPOHOXFKPODP-LJQANCHMSA-N 391.540 4.689 0 50 GJAA CCCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(OC(F)F)c3)nc21 13961169 LYYUVVMBXRLNRC-UHFFFAOYSA-N 389.402 4.595 0 50 GJAA COc1ccccc1CCC(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14996783 ZCYWTQFKFZTOIU-UHFFFAOYSA-N 393.527 4.998 0 50 GJAA O=C(c1ccc2cccnc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67446546 DVEDESPLKZUHOM-IBGZPJMESA-N 387.266 4.755 0 50 GJAA O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 100641382 WHUDPPDRXAQMEK-USNOLKROSA-N 396.870 4.611 0 50 GJAA C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc2cc(Cl)ccc2o1 123104661 HZGHBAKTEXEBFR-BMIGLBTASA-N 386.810 4.529 0 50 GJAA CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(OC)cc1 225504939 YMBLJQIKZGOSHD-KRWDZBQOSA-N 394.327 4.657 0 50 GJAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1ccc(-c2ccc(OC)nc2)cc1 426656979 QFCSVHHAEBMOKC-KRWDZBQOSA-N 375.472 4.593 0 50 GJAA COc1cccc([C@H]2CCCN2Cc2ccc3cc(NC(C)=O)ccc3n2)c1 670445275 DOGVTMSFLOBGRT-HSZRJFAPSA-N 375.472 4.539 0 50 GJAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3cccc3)cc2)c1 1506402773 LCMLCORFLJPKSX-DEOSSOPVSA-N 388.511 4.666 0 50 GJAA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c(F)ccc(OC(F)F)c2F)cc1C 1875263369 DEMCSMSKNVOZKL-LLVKDONJSA-N 384.325 4.611 0 50 GJAA CN(Cc1cccc(O)c1)Cc1c(Br)cccc1OC(F)(F)F 1875346203 WPZPHTLVDZWFCJ-UHFFFAOYSA-N 390.199 4.685 0 50 GJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)cc1 2356140642 NFYKOAMMHXHZPD-FQEVSTJZSA-N 379.529 4.725 0 50 GJAA O=C(Cn1nc(-c2ccc(Br)cc2)oc1=S)c1ccccc1 622814 OIAMJBIQHLXYIO-UHFFFAOYSA-N 375.247 4.518 0 50 GJAA Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1 1073748 SJBFKBQILMSIGJ-UHFFFAOYSA-N 383.407 4.586 0 50 GJAA C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1nccs1 1125078 XNUCRDQYQVTGBI-NSHDSACASA-N 388.518 4.610 0 50 GJAA O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Oc2ccccc2)cc1 1125763 NSLHCDUIHNYPKC-UHFFFAOYSA-N 393.283 4.663 0 50 GJAA CN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1 1251149 HBNHQYPUZKZKNT-UHFFFAOYSA-N 382.467 4.611 0 50 GJAA aggregator O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1CCc1c[nH]c2ccccc12 1422804 DNBUWXULNGLMCJ-ILBGXUMGSA-N 398.462 4.749 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c3C)C2)cc1 4134284 WAMNGGJBOLUWGH-RISOHXOYSA-N 381.472 4.590 0 50 GJAA CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 4510536 ZLBCCIXLEPFSES-SFHVURJKSA-N 375.896 4.586 0 50 GJAA COc1ccc(C(=O)NCCc2ccc3oc4ccccc4c3c2)cc1OC 6668151 FOWKVIXUXOBAFR-UHFFFAOYSA-N 375.424 4.576 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)c1cc2ccccc2[nH]1 12706181 APAXEUULDNLOHI-QGZVFWFLSA-N 387.483 4.556 0 50 GJAA COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)ccc1OC(F)F 20616842 LAILWABHCQOYGS-UHFFFAOYSA-N 387.308 4.573 0 50 GJAA C[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 67725574 DMEBUHOGKJMNIR-CYBMUJFWSA-N 396.903 4.944 0 50 GJAA CC(C)c1ccc2cc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4C3)[nH]c2c1 67981881 KRRZQXAXPWQKAB-UHFFFAOYSA-N 384.483 4.880 0 50 GJAA CCCc1c(NCc2nc(Cc3ccccc3)no2)cnn1-c1cccc(F)c1 170603580 QXRINJXRNHLEMX-UHFFFAOYSA-N 391.450 4.550 0 50 GJAA Cc1nc([C@@H](C)N2CCN(CC(F)(F)F)CC2)oc1-c1ccc(Cl)cc1 178292596 XSBMIHXLXQSGNM-CYBMUJFWSA-N 387.833 4.544 0 50 GJAA CN(C(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 253454742 AWPIQIYQLIIQOS-VQTJNVASSA-N 386.451 4.717 0 50 GJAA C[Si](C)(C)[C@@]12C=C3[C@H]4CC[C@@H](C4)[C@@]3(C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 257358646 VPXSYYLHICRJTC-RXXFGVJLSA-N 377.560 4.631 0 50 GJAA COC(=O)[C@@H]1CC12CCN(c1nc(-c3ccccc3C(F)(F)F)cs1)CC2 465048223 COINSTLLPHALPG-AWEZNQCLSA-N 396.434 4.608 0 50 GJAA Cc1cccc(-c2nc(COc3cccc(F)c3)nn2[C@H]2CCOC2)c1Cl 1772817459 PXOQXKJIHNFUTJ-HNNXBMFYSA-N 387.842 4.586 0 50 GJAA Cc1ccc2[nH]c(-c3nc(COc4ccc(Cl)nc4)no3)c(Cl)c2c1 1775987001 OTGHTIQSVPAOKR-UHFFFAOYSA-N 375.215 4.807 0 50 GJAA COC(=O)c1ccc2nc(N3C[C@@H](C)CC[C@H]3c3ccccc3OC)oc2c1 1875306838 DGXPJZXEBLGGBS-KSSFIOAISA-N 380.444 4.601 0 50 GJAA O=C(NCCc1cc(Cl)cc(Br)c1)N1CCCC2(CCC2)C1 1875342160 APYSIBRUZCKDJI-UHFFFAOYSA-N 385.733 4.621 0 50 GJAA CCc1ccccc1-n1nc(CC2CCCCC2)nc1C[C@@H](C)n1ccnc1 1875348361 OMNNLMZHNUTBLW-GOSISDBHSA-N 377.536 4.953 0 50 GJAA CC(=O)NCc1ccc(C(=O)N[C@H](Cc2ccccc2)CC2CCCCC2)s1 2325704964 NHASDODAIMCBEK-HXUWFJFHSA-N 398.572 4.696 0 50 GJAA O=C(OCc1nnc(-c2ccccc2)o1)c1c2c(nc3ccccc13)CCCC2 2618678 YQNNYEPRLDKKAN-UHFFFAOYSA-N 385.423 4.521 0 50 GJAA COc1cccc(OC)c1OCCOc1ccc(Br)cc1Cl 2986868 GASAHYXDKJEIOC-UHFFFAOYSA-N 387.657 4.578 0 50 GJAA CC(C)=CCC[C@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O 4168499 QWLMWFREGFLQJI-MNQFQUIISA-N 391.552 4.638 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 5064864 MBYZOTYFXODJSA-HCVBEMKVSA-N 386.561 4.517 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NCc3ccccn3)cc(-c3ccccn3)nc12 6275635 PBOSMRVFVKCEPS-UHFFFAOYSA-N 388.858 4.584 0 50 GJAA O=C(c1ccccc1)c1ccc2[nH]c(-c3cccc(NC(=O)C4CC4)c3)nc2c1 8310880 RDIGPINIEKFBGC-UHFFFAOYSA-N 381.435 4.809 0 50 GJAA COc1ccc2cc(C(=O)[C@H]3CCCN(C4CCN(C(C)C)CC4)C3)ccc2c1 12303127 KDONTFYQNFSTAT-QFIPXVFZSA-N 394.559 4.616 0 50 GJAA O=C(NCc1ccccc1)c1cccc(OC2CCN(C3CCCCC3)CC2)c1 23311593 GRAIKBKCLWFYHA-UHFFFAOYSA-N 392.543 4.793 0 50 GJAA Cc1ccc(-c2cc(CN3CCC[C@H](c4ccc(C(=O)O)cc4)C3)on2)cc1 95375127 FIDNLZYKFGMDEH-FQEVSTJZSA-N 376.456 4.728 0 50 GJAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 157691559 KCYNQZFCMJEOJR-FQEVSTJZSA-N 385.419 4.624 0 50 GJAA CC(C)(C)OC(=O)N1CC[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](C(=O)O)C1 166635725 SQXYWBRSKPBHEI-UXHICEINSA-N 381.472 4.779 0 50 GJAA CC[C@H](NCc1cc2ccc(C)cc2nc1N1CCOCC1)c1cccs1 952976050 HPSUQXQWEYDAEY-IBGZPJMESA-N 381.545 4.682 0 50 GJAA O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@@H](Cc2ccc(F)cc2)C1 1456519765 SQWUUMKLGWXNSP-KRWDZBQOSA-N 394.421 4.857 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 1857526140 OWDSQNAIMXYQHD-QWOUHOPLSA-N 386.532 4.669 0 50 GJAA O=C(Nc1nnc(SCc2ccccc2F)s1)[C@@H]1C[C@@H]1c1cccs1 1857798905 FZBRLFTXSZGTNN-NWDGAFQWSA-N 391.518 4.773 0 50 GJAA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccs1 1176656 AKNCYVKXABJZHH-UHFFFAOYSA-N 379.938 4.519 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1 3656371 UFDZACYACAMOFS-KRWDZBQOSA-N 388.305 4.689 0 50 GJAA Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O 3834020 APYYTEJNOZQZNA-MOSHPQCFSA-N 386.451 4.808 0 50 GJAA in-vitro COc1ccc(OC)c(NC(=O)Nc2ccc(Br)c(Cl)c2)c1 5041564 PYXIKVMFQOHFAG-UHFFFAOYSA-N 385.645 4.764 0 50 GJAA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCO5)c23)C1 5063779 ZSXYDWRGNXIGQC-LLVKDONJSA-N 398.509 4.520 0 50 GJAA O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(C/C=C/c1ccccc1)CC2 12052340 YTBRIKZWLCUMPU-LZMFZKJZSA-N 378.560 4.809 0 50 GJAA COc1ccccc1O[C@H](C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 20997442 WUHRIZJUDXQXRJ-GFCCVEGCSA-N 378.350 4.828 0 50 GJAA Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCC3)cc1)CC(C)(C)O2 44855267 YCUOVKVXWIQVCE-OAQYLSRUSA-N 378.516 4.623 0 50 GJAA COc1cccc(OC)c1-c1c(-c2ccccc2)ncn1[C@H]1CCCC[C@@H]1O 65387248 MCIXAGJEKZDWHY-ROUUACIJSA-N 378.472 4.710 0 50 GJAA Cc1cccc(Oc2ccccc2NC(=O)N2CCC(c3ccnn3C)CC2)c1 151550550 ZCYJURVZAPNQSJ-UHFFFAOYSA-N 390.487 4.932 0 50 GJAA O=C(Nc1ccccc1NCC(F)(F)F)c1cc(=O)c2cc(Cl)ccc2o1 170597599 OXGWDZOJJOEJIS-UHFFFAOYSA-N 396.752 4.673 0 50 GJAA COc1cccc(CC2CCN(C(=O)Nc3ccc4nc(C)oc4c3)CC2)c1 225576730 PNMJYAMSHCRGOH-UHFFFAOYSA-N 379.460 4.631 0 50 GJAA COc1ccc(-c2noc([C@H](NC(=O)c3cccc(Cl)c3)C(C)C)n2)cc1 238937070 TVASQUDFVFUVPA-QGZVFWFLSA-N 385.851 4.526 0 50 GJAA CC[C@H](NC(=O)c1cccc(-c2cn(C(F)F)nc2C)c1)c1ncccc1C 299795944 NATUVKRMVZEPBH-SFHVURJKSA-N 384.430 4.838 0 50 GJAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccccc1OCCn1ccnc1)CC3 495216404 CRRIBJXHDGWITR-SFHVURJKSA-N 386.499 4.721 0 50 GJAA COc1ccc(C(=O)N[C@@H](C)C2=CCCCC2)cc1Oc1cc(F)cc(CN)c1 1857694046 YBTOSHRNXCHOFN-HNNXBMFYSA-N 398.478 4.704 0 50 GJAA O=C1N(Cc2ccccc2)CCC[C@@]12CCCN2Cc1ccc(Cl)cc1F 2100534623 QEPJLLSIDQMTNF-JOCHJYFZSA-N 386.898 4.636 0 50 GJAA CC(C)c1nc(CS(=O)(=O)[C@H](C)c2cccc(OC(F)(F)F)c2)cs1 2325829776 SFMFTAXPJXADGD-LLVKDONJSA-N 393.452 4.841 0 50 GJAA COc1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CCc3cnc(C)nc32)C1 2356140786 PUENYLIILANSOY-FQEVSTJZSA-N 392.330 4.580 0 50 GJAA CN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccccc1 588938 XRYWENHMOJRTPP-UHFFFAOYSA-N 397.283 4.547 0 50 GJAA O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 786361 UYXGHMPRWWMUID-DEOSSOPVSA-N 394.474 4.820 0 50 GJAA in-vitro O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1 1092933 WOMRTXORNZLNNK-UHFFFAOYSA-N 379.485 4.550 0 50 GJAA CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)c(Cl)cc12 1159013 KGLMANXWOQGJMR-UHFFFAOYSA-N 377.223 4.924 0 50 GJAA Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 1204166 NNDJPFOMSHQINO-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA O=C(NC1CCCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 1219056 BJQKFQVXXVYLBT-UHFFFAOYSA-N 382.467 4.736 0 50 GJAA O=C1[C@@H]2CS[C@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc12 2268094 OTPTYRJAUBCJOA-AZUAARDMSA-N 378.428 4.562 0 50 GJAA O=C1O[C@@](Nc2cccc(Br)c2)(c2ccccc2)c2ccccc21 2771317 BZWMDZUEXRAVSL-FQEVSTJZSA-N 380.241 4.933 0 50 GJAA CCOc1cccc(-c2cc(C(=O)N(C)C)c3cc(Br)ccc3n2)c1 6657235 MKJSNWOHSZFIIE-UHFFFAOYSA-N 399.288 4.765 0 50 GJAA COC(OC)[C@H](C)NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 6825075 YAWICBSKZZVTGR-AWEZNQCLSA-N 398.890 4.601 0 50 GJAA CC(C)(C)CN1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 12314355 JLFOXJORPGWKNM-UHFFFAOYSA-N 380.532 4.506 0 50 GJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)c(F)c(F)c(F)c1F 13281407 HSZFELPGBXBMGI-UHFFFAOYSA-N 378.300 4.620 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 14974058 WDHRUFJWEVUITB-OAQYLSRUSA-N 394.515 4.527 0 50 GJAA C(=C/c1ccccc1)\CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 22780797 WECGEIOCLMBKEM-JXMROGBWSA-N 375.541 4.641 0 50 GJAA Cc1nc(CN(C)C2CCN(c3ccc(-c4cscn4)cc3)CC2)cs1 23250899 ZIPDFGBCOSPGRP-UHFFFAOYSA-N 384.574 4.676 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)C[C@H]1COc2ccccc2O1 55072322 WZCHKZDURDGTAY-KRWDZBQOSA-N 384.863 4.575 0 50 GJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1ccc(F)cc1)C2 67841485 AEOSYYMHDNFWHI-UHFFFAOYSA-N 384.838 4.641 0 50 GJAA CCc1cc(/C(O)=C/c2nc3ccccc3n2C)c(O)cc1OC(=O)C(C)(C)C 100597935 BUYDWMBIMWBQGN-UYRXBGFRSA-N 394.471 4.849 0 50 GJAA CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1cccc(C)c1 129768621 YVIOIDXOMGYBOS-GOSISDBHSA-N 391.475 4.598 0 50 GJAA O=C(Nc1cc(F)ccc1OC(F)F)c1cnn(-c2cccc(Cl)c2)c1 159132632 NISVYVXLXMEPRB-UHFFFAOYSA-N 381.741 4.519 0 50 GJAA CSc1cccc(NC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 169772000 CKKVEDXNWRHQID-UHFFFAOYSA-N 379.489 4.647 0 50 GJAA Fc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1Br 244866498 VXCVNBYMELAWRG-VQTJNVASSA-N 395.360 4.817 0 50 GJAA O=C(Nc1nnc(SCc2ccccc2F)s1)[C@@H]1C[C@H]1c1cccs1 1857798907 FZBRLFTXSZGTNN-VXGBXAGGSA-N 391.518 4.773 0 50 GJAA Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)sc2c1 1114073 HVJLAUCKFFTWOU-UHFFFAOYSA-N 384.313 4.916 0 50 GJAA O=C(COc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 1180339 FTQCQJUGFCYATE-UHFFFAOYSA-N 396.284 4.734 0 50 GJAA CCOc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 2622382 QRYKEOQLZUGMJT-UHFFFAOYSA-N 384.657 4.519 0 50 GJAA O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccs1 2678219 MXHXEDFBKLLCIS-GFCCVEGCSA-N 384.115 4.940 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 8831048 DCFICSLLDKCZOG-QHCPKHFHSA-N 384.479 4.509 0 50 GJAA O=C(Nc1nnc(-c2ccccc2Br)s1)Nc1ccccc1F 9300682 BDXIZWRDAOPUNX-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)c1cccs1 12442560 QJEWDVFNQUEAJK-LJQANCHMSA-N 398.572 4.712 0 50 GJAA COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)o1 12591778 AJFHDAVUQBQYOD-LJQANCHMSA-N 389.495 4.773 0 50 GJAA COc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1OC 23114661 CZLKJCYLOQGCIL-UHFFFAOYSA-N 386.455 4.630 0 50 GJAA O=C(COc1ccc(F)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292146 FEAPFEZUKCHJPN-UHFFFAOYSA-N 388.801 4.625 0 50 GJAA Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)NC2CCCCC2)n1 55556845 ZLYOVIZMMWGZGY-UHFFFAOYSA-N 375.925 4.646 0 50 GJAA O=C(c1ccccc1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67840879 ZCNKYOMZMOOELK-UHFFFAOYSA-N 379.843 4.747 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@H](CCc2ccccc2F)C1 71752156 ASSOEBDSZUQOQL-MRXNPFEDSA-N 378.447 4.565 0 50 GJAA CCc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 72117367 JTACUDRCZOPUER-UHFFFAOYSA-N 399.458 4.612 0 50 GJAA CC(C)(C)Oc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 115778713 ZNZCDJDQIYIJDI-IBGZPJMESA-N 390.430 4.748 0 50 GJAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C 239433387 XPNCKFMJHYMAMG-JORZUPCSSA-N 391.511 5.841 0 50 GJAA O=C(CCc1cnccn1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 475613975 WOKOZMCAAMVBFF-UHFFFAOYSA-N 388.402 4.528 0 50 GJAA CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCc3cc(OC)ccc32)cc1 766238768 WBNCMCBALDKBSK-MRXNPFEDSA-N 397.475 4.505 0 50 GJAA O[C@H](COc1ccccc1F)COC(c1ccc(F)cc1)c1ccc(F)cc1 1875306760 OMBGRZXHTDNEPE-LJQANCHMSA-N 388.385 4.650 0 50 GJAA O=C(N[C@H]1C[C@H](c2cccc(Br)c2)C1)N1C2CC3CC(C2)CC1C3 2325828337 DYALUJOOUGTRJQ-CWGPIVAFSA-N 389.337 4.668 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 631280 LYIRWNJCSNEABT-UHFFFAOYSA-N 379.241 4.841 0 50 GJAA O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 671527 VQVKSFQLRPTEDX-QHCPKHFHSA-N 388.536 4.869 0 50 GJAA O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1ccccc1 823314 LAKCKAIWLZKUHH-UHFFFAOYSA-N 395.256 4.954 0 50 GJAA C[C@@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 951871 IJDDBUKNLOHKCU-SNVBAGLBSA-N 379.312 4.938 0 50 GJAA COc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Br)c(C)c1 1160273 UVLNAUZDWULPCV-UHFFFAOYSA-N 398.684 4.745 0 50 GJAA O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 2375058 MYKPOOHLDSZHSY-PDGQHHTCSA-N 391.404 4.886 0 50 GJAA CCCCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 2433185 AQPFEJJNSVELTQ-UHFFFAOYSA-N 382.412 4.616 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1Br 2886675 CMQRCLYHQBOIIO-UHFFFAOYSA-N 377.307 4.501 0 50 GJAA CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@@H]4C)c3C)C2)cc1 4912615 GKRYCEUTIPCYTN-XXHMAFKTSA-N 395.499 4.980 0 50 GJAA COc1ccc(C)cc1NC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12075913 JEQAKKKLCPYPIS-INIZCTEOSA-N 386.879 4.784 0 50 GJAA CCC(=O)N(CCCOC)Cc1cc2ccc(C)cc2nc1N1CCCCCC1 12279543 DICQGCAXUJIQBV-UHFFFAOYSA-N 397.563 4.699 0 50 GJAA CCn1cc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c2ccccc21 12439365 BFWFUAFDOXUGHC-DEOSSOPVSA-N 380.507 4.618 0 50 GJAA COc1cccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1OC 12574605 JRPJPQUPKCQJGL-IBGZPJMESA-N 397.515 4.586 0 50 GJAA COc1ccc(C2(CNC(=O)/C=C(\C)c3ccccc3)CCCC2)cc1OC 13562068 XEUUCAZMWGXOIR-OBGWFSINSA-N 379.500 4.735 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1 63833706 JXAYYTGWXFTYQG-KRWDZBQOSA-N 376.504 4.750 0 50 GJAA O=[S@@](Cc1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1)c1ccccc1 170600332 RBIGXUNXYQFHTJ-NDEPHWFRSA-N 387.508 4.997 0 50 GJAA O=C(O)c1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(F)(F)F 261494773 FMBAOWIZKYJAQE-UHFFFAOYSA-N 376.665 4.594 0 50 GJAA CC(C)(C)OC(=O)n1cc(I)c2cc(Cl)ccc21 261507418 IFXSVMIDWRADFG-UHFFFAOYSA-N 377.609 4.683 0 50 GJAA O=C(O)c1ccccc1OCCN1CCC[C@H]1c1nc(C2CCCCC2)co1 364233982 CMLGBOJNLWGEEX-IBGZPJMESA-N 384.476 4.636 0 50 GJAA CC(C)(C)C(=O)c1cc(Br)ccc1OCc1nnc(C2CC2)o1 888096684 IAIFKGRGUHLIIK-UHFFFAOYSA-N 379.254 4.517 0 50 GJAA O[C@H](COc1ccccc1Cl)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 1875343969 AJACQQLDUBDZPU-GPQLQYNLSA-N 385.935 4.738 0 50 GJAA CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc(C(=O)OC(C)(C)C)cn1 1875356119 GFJVFPKTKNORLW-FPOVZHCZSA-N 381.520 4.590 0 50 GJAA Cc1ccc(Cc2cnc(NC(=O)c3ccccc3CCC(=O)O)s2)cc1C 2325876885 DERSKMGISJPZDF-UHFFFAOYSA-N 394.496 4.620 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](C)C2 643626 ZBJWODRKZZGOBU-CYBMUJFWSA-N 387.501 4.701 0 50 GJAA Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc24)CC3)cc1 855046 IWQFVVUFLZSCCZ-QFIPXVFZSA-N 395.549 4.683 0 50 GJAA Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1 940096 XNLVCNUZHVACPF-UHFFFAOYSA-N 387.391 4.816 0 50 GJAA CCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(Br)c1 951600 WILPMFWPXQSPFD-PKNBQFBNSA-N 376.250 4.508 0 50 GJAA COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 1049376 KHPPYUSZDBJPIJ-UHFFFAOYSA-N 385.510 4.956 0 50 GJAA Fc1ccccc1COc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1 1444384 SGSOXPNZAABWIC-UHFFFAOYSA-N 394.837 4.760 0 50 GJAA Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)nc2c1CCCC2 2866517 FLGYGWCUORUVRG-UHFFFAOYSA-N 382.316 4.701 0 50 GJAA FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 2919721 SMJNKOAUOJTHOP-CABCVRRESA-N 376.794 4.679 0 50 GJAA COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(C)c3)C2)cc1OC 4813495 CFNPVSBYOGZSSJ-LJQANCHMSA-N 390.439 4.597 0 50 GJAA CCOc1ccccc1-c1noc(CCCC(=O)Nc2ccc(Cl)cc2)n1 4867331 ZDSAFYFXBCBCNO-UHFFFAOYSA-N 385.851 4.750 0 50 GJAA O=C(NC1CCCCCC1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12 6659325 TVAYWTZVWUBDHP-UHFFFAOYSA-N 392.474 4.850 0 50 GJAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 6703561 PSAPEANDFMJJGB-UHFFFAOYSA-N 388.920 4.697 0 50 GJAA Clc1ccc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)cc1 11841609 PGNBAKCHVRSGSM-UHFFFAOYSA-N 383.879 4.571 0 50 GJAA CN(CCC1CCOCC1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 11880083 BVFJLMAACQSRQX-UHFFFAOYSA-N 382.435 4.523 0 50 GJAA CCN(Cc1ccc(COC)o1)CC1CCN(CCc2ccccc2C)CC1 12072396 BJVYRGPZFSWPNR-UHFFFAOYSA-N 384.564 4.511 0 50 GJAA Cc1cc(-c2cc(O)c3c(c2)CN(CC(C)C)CCO3)nc2cc(F)ccc12 12150563 KIBNSWGOONYYLC-UHFFFAOYSA-N 380.463 4.905 0 50 GJAA COc1ccc(CCN(Cc2c[nH]c3ccccc23)CC2CCN(C)CC2)cc1 15064001 SANFSFYTDNUBJE-UHFFFAOYSA-N 391.559 4.563 0 50 GJAA CN(Cc1cnc(-c2ccc3ccccc3c2)nc1)Cc1n[nH]c2c1CCCC2 67871662 MEZCSTFKAHYDHA-UHFFFAOYSA-N 383.499 4.531 0 50 GJAA Cn1cc(CN(C(=O)Nc2ccc(SCc3ccco3)cc2)C2CC2)cn1 96166663 ANTLSWKOVRYVMT-UHFFFAOYSA-N 382.489 4.502 0 50 GJAA Cc1cc(CSc2ncccc2C(=O)NCc2cccc3ccccc23)no1 121447230 BXIVVAJAORRLHS-UHFFFAOYSA-N 389.480 4.754 0 50 GJAA CCO[C@@H](C)c1nc(C(=O)Nc2cc(Br)c(F)cc2F)cs1 170604666 BQBQMVBGORQDFE-ZETCQYMHSA-N 391.237 4.534 0 50 GJAA O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(-c2cccc(Cl)c2)on1 170623568 DMBBTXPDRLXFTL-HXUWFJFHSA-N 392.842 4.612 0 50 GJAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC[C@@H]3Cc4ccccc43)ccc21 170627189 OLNCYCYULSNKKF-HNNXBMFYSA-N 387.405 4.706 0 50 GJAA Cc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1 198837070 HKRNFEFMNVXBOP-UHFFFAOYSA-N 397.891 4.631 0 50 GJAA C[C@@H](NCCSCc1ccccc1F)c1nc(Br)ccc1F 252510950 ZSJQETWFEKQERC-LLVKDONJSA-N 387.293 4.706 0 50 GJAA O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1 253408284 KOSIEDCADVRVOJ-GOSISDBHSA-N 384.387 4.607 0 50 GJAA biogenic C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 303651914 BHSJEDGCHMFENA-LMNJBCLMSA-N 386.499 4.728 0 50 GJAA CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 328592425 FEAIVFFTPIUDPU-OAQYLSRUSA-N 391.442 4.918 0 50 GJAA O=C(NCc1c(F)cccc1Cl)N(Cc1cccnc1)C1CCCCC1 426435321 GXIYLHYPAKSOCI-UHFFFAOYSA-N 375.875 4.919 0 50 GJAA O=C(Cn1nc(-c2cccc(Br)c2)oc1=S)c1ccccc1 622833 XVTPXBQESKGEMX-UHFFFAOYSA-N 375.247 4.518 0 50 GJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 1180049 HCVCPBQANMCXRD-CQSZACIVSA-N 386.517 4.820 0 50 GJAA Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1C 2836654 LXTRLLMJKABULH-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1OC 2993529 BWOPPJMQJQVCGD-CYBMUJFWSA-N 398.528 4.820 0 50 GJAA CSc1ccccc1C(=O)N(C)[C@H]1CCCN(CCCc2ccccc2)C1 12570255 LDNYKKMZIQRADR-FQEVSTJZSA-N 382.573 4.578 0 50 GJAA COc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O 12760694 WUHQSRGZTJGPOX-GFCCVEGCSA-N 389.858 4.538 0 50 GJAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 19867498 NUFRHQUOJBDQHD-KRWDZBQOSA-N 395.453 4.669 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)no2)cc1 36620937 LYPLUBQEHQDVHO-LJQANCHMSA-N 382.847 4.981 0 50 GJAA Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCCN2CCCC2=O)c1 65370116 FXGMTCGGVRLBOW-UHFFFAOYSA-N 377.463 4.677 0 50 GJAA COc1ccc2cc(CN(C)Cc3ncc[nH]3)c(-c3ccc(Cl)cc3)nc2c1 72407486 BSXDWMPXDWRTPC-UHFFFAOYSA-N 392.890 4.919 0 50 GJAA CC1(C)CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@]1(C)O 91770420 FOKZZPCMPDBMIU-QFIPXVFZSA-N 382.891 4.721 0 50 GJAA Cc1c(Cl)cccc1N1C(=O)C[C@@H](Sc2nc3ccccc3s2)C1=O 100112792 YFECCSZCAFMGJW-OAHLLOKOSA-N 388.901 4.682 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1 151761447 RNSYETKUUFPRAN-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c(C)c1 169755240 CBBBOYPRWOYJTG-CYBMUJFWSA-N 385.826 4.666 0 50 GJAA O=C(Nc1cccc(Cl)c1O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 225404432 WVIMUFSOTVQEDO-UHFFFAOYSA-N 399.731 4.642 0 50 GJAA CC(=O)c1ccc(-c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)nc1 534651050 CANYGIXMNGFDNA-HYBUGGRVSA-N 376.500 4.992 0 50 GJAA Cc1cc(C)cc(-n2ncc3c(N[C@@H]4CCOC5(CCCCC5)C4)ncnc32)c1 1875335147 UJAZMFVXAKWLAH-GOSISDBHSA-N 391.519 4.726 0 50 GJAA CCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1 668965 NGBPZCCTLZETLB-UHFFFAOYSA-N 381.453 4.853 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCCC1)CCC2 722347 LDTIULWXEDSYSD-UHFFFAOYSA-N 382.529 4.814 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 771828 ZYSWBDASMRTCDG-ZKKFKWFVSA-N 399.877 4.911 0 50 GJAA biogenic COc1ccc(C(=O)N[C@H](Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 787680 QMHLSTUDRCXMAA-INIZCTEOSA-N 387.694 4.542 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc3ccccc23)NC(=S)N1 799825 RYGFZJCKDSPOTL-NRFANRHFSA-N 387.508 4.580 0 50 GJAA CN(C(=O)Oc1cccc(OC(=O)N(C)c2ccccc2)c1)c1ccccc1 938391 XXIUULLYXYCSDZ-UHFFFAOYSA-N 376.412 4.957 0 50 GJAA CC1(C)CCC(C)(C)c2cc([C@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21 2046792 AANFHDFOMFRLLR-IBGZPJMESA-N 399.462 4.545 0 50 GJAA in-vivo CCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2367359 UQGNLMCQRJLRHW-UHFFFAOYSA-N 388.471 4.730 0 50 GJAA CCCCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041714 WACZMRUPDJQXPS-UHFFFAOYSA-N 388.678 4.814 0 50 GJAA COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C 4892690 BSQMHEDTDATIHV-DHDCSXOGSA-N 393.295 4.606 0 50 GJAA Cc1ccc2[nH]c(S[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 9096239 ZOMBUEIITZWVPE-SFHVURJKSA-N 378.457 4.640 0 50 GJAA O=C(CCC1CCN(C/C=C/c2ccccc2)CC1)N1CCc2ccccc2C1 12210610 PANDBIXPZJWPJB-RMKNXTFCSA-N 388.555 4.777 0 50 GJAA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(C)s2)CC1 13595602 KTCKKCPJMYCGME-UHFFFAOYSA-N 387.545 4.671 0 50 GJAA CC(C)C(=O)NCCOc1ccc(CN(C)Cc2cccc3ccccc23)cc1 14955549 GWYMAZSBVFOZTH-UHFFFAOYSA-N 390.527 4.623 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2c(C)nc3sccn23)C1 19222732 ITNBDHGXKRXJGV-OAHLLOKOSA-N 387.936 4.761 0 50 GJAA COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1OCc1ccccc1 19362924 RTTVCUUXIZRETF-UHFFFAOYSA-N 394.559 4.725 0 50 GJAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20604532 GNZFZBKDRMACLV-UHFFFAOYSA-N 389.377 4.558 0 50 GJAA COc1ccc([C@H](CC(=O)N(C)CCc2scnc2C)c2ccccc2)cc1 95497527 RPENOKYDZCFADE-OAQYLSRUSA-N 394.540 4.683 0 50 GJAA CCO[C@@H](CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1)C1CCCC1 176509205 GPGPZRBSLNCUSU-FQEVSTJZSA-N 399.535 4.702 0 50 GJAA Cc1[nH]c2c(F)cccc2c1CC(=O)N(Cc1cccnc1)C1CCCCC1 215315980 QZGWBXHRSMVLRN-UHFFFAOYSA-N 379.479 4.914 0 50 GJAA COCCn1ccc2c(NC(=O)C[C@H](c3ccsc3)n3cccc3)cccc21 263587816 LONGCCJWUFWZDF-OAQYLSRUSA-N 393.512 4.769 0 50 GJAA Cc1noc([C@H](NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)C)n1 334161734 DWKGMJMVZHCRIA-LJQANCHMSA-N 399.878 4.738 0 50 GJAA Cc1ccc(-c2ccc(CCC(=O)N(C)Cc3noc4c3CCCC4)o2)cc1 426413016 SWRFAUVSOILICN-UHFFFAOYSA-N 378.472 4.713 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@H](C)CC4)csc3C2)nc1 426661389 UWSQKJHLIFWRIW-KRWDZBQOSA-N 397.588 4.526 0 50 GJAA CN(C[C@@H]1CCCCN1C)C(=O)c1cccc(-c2ccc3scnc3c2)c1 584890163 JSJUKRWYQIIHOI-IBGZPJMESA-N 379.529 4.520 0 50 GJAA C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COc2ccccc21 755161069 WUPMRZBMNSIHIH-HRAATJIYSA-N 395.462 4.591 0 50 GJAA CCOc1cc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC(=O)CC 840940118 UTDNZQDZCZDCNC-LJQANCHMSA-N 393.487 4.614 0 50 GJAA O=C(Nc1ccccc1)c1ccc(NCC2(Cc3cccc(Cl)c3)CC2)nn1 1307137564 OKZPJMSUDAQHMX-UHFFFAOYSA-N 392.890 4.817 0 50 GJAA O=C(Nc1cc2c[nH]nc2cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 1772715932 AUIYIJBIFSXXAR-UHFFFAOYSA-N 399.406 4.622 0 50 GJAA CCOC(=O)c1sc(NC(=O)c2ccc(F)c(F)c2)nc1-c1ccccc1 1138814 GLTQWFNFXOFQIA-UHFFFAOYSA-N 388.395 4.517 0 50 GJAA CCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1770176 VHTIHZSOVKGKTF-UHFFFAOYSA-N 382.412 4.534 0 50 GJAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC[C@@H](C)C4)c3n2)cc1 2769477 RQRBUSCZUJCZIA-CQSZACIVSA-N 384.430 4.514 0 50 GJAA c1ccc(OCCSc2nnc3n(-c4ccccc4)c4ccccc4n23)cc1 2871975 DKCSBXAKGNILAD-UHFFFAOYSA-N 386.480 4.844 0 50 GJAA CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1 11661008 NQKJJRGKVFUPAO-GOSISDBHSA-N 382.479 4.659 0 50 GJAA O=C(CCC1CCN(Cc2ccncc2)CC1)Nc1ccc(F)c(Cl)c1 12308148 IWUSXWPOXRXVKA-UHFFFAOYSA-N 375.875 4.505 0 50 GJAA OCC1(Cc2ccccc2Cl)CCN(C2CCN(c3ccccc3)CC2)CC1 39405376 HNVUXRHNJFQZNK-UHFFFAOYSA-N 398.978 4.626 0 50 GJAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ncccc1Br 170618864 XWVRIXWNOORQTO-UHFFFAOYSA-N 383.245 4.675 0 50 GJAA Cc1nc(-c2cccc(C(=O)N(CCCO)Cc3cccs3)c2)sc1C 299783890 VIXXWDQHNNBOHP-UHFFFAOYSA-N 386.542 4.513 0 50 GJAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1 426510148 LOSAAZZCBYRQQO-NRFANRHFSA-N 377.484 4.514 0 50 GJAA Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](c2ccccc2)c2ccccc21 470216257 QIEJAHQPIBKQIK-GOSISDBHSA-N 398.491 4.701 0 50 GJAA CC(C)c1noc(C2CCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)n1 952962271 AACGGTMRUQUVSQ-UHFFFAOYSA-N 392.503 4.573 0 50 GJAA CC[C@@H](NC(=O)c1cc(-c2ccccc2F)no1)c1nc(C(F)(F)F)cs1 1875320418 CHLBLIZMVVAODZ-LLVKDONJSA-N 399.369 4.837 0 50 GJAA COC1(c2nc([C@H](C)Oc3ccc(Br)cc3Cl)no2)CCC1 1875331337 FUNQIKKEKNYYHA-VIFPVBQESA-N 387.661 4.651 0 50 GJAA Cc1cc(Br)c(O)c(NC(=O)C2CC(c3cccc(F)c3)C2)c1 2325840801 RBGAPUXEXRLIHG-UHFFFAOYSA-N 378.241 4.735 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C)C2 1219039 FZAOBKBFOFAWKZ-OAHLLOKOSA-N 384.545 4.916 0 50 GJAA CCOc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OCC)n1 2296267 GZVLZBJJCRCRBQ-UHFFFAOYSA-N 385.855 4.810 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)nc2ccccc12 2736524 XQUVBYYGPPTUJK-UHFFFAOYSA-N 388.448 4.987 0 50 GJAA CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 2761072 JNTWTXIPQLVFOQ-UHFFFAOYSA-N 383.879 4.853 0 50 GJAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 4706681 WZFGAVNXLMOCME-UHFFFAOYSA-N 389.524 4.923 0 50 GJAA COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OC)cc1Cl 4868602 OCHWLVIJCPEKPZ-NSHDSACASA-N 384.259 4.725 0 50 GJAA COc1ccccc1[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN21 6249148 HXFKBUGOAVGLTR-GBXCKJPGSA-N 386.451 4.946 0 50 GJAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2ccc(F)cc2Cl)CC1 11839949 AZZUVOVXHNWUPW-SFHVURJKSA-N 397.918 4.584 0 50 GJAA COc1ccc([C@H](NC(=O)c2oc3c(F)cccc3c2C)c2ccncc2)cc1 11873457 MTFPAXBCHLZYCR-FQEVSTJZSA-N 390.414 4.803 0 50 GJAA Cc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 11933058 QLZJVVROGIOVES-IBGZPJMESA-N 380.488 4.909 0 50 GJAA Cc1ccccc1-c1cn2c(C(=O)NCc3ccc4ncccc4c3)csc2n1 11936519 VYZLCGHVRJJFFB-UHFFFAOYSA-N 398.491 4.849 0 50 GJAA O=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1 12243331 LFJKIRZVFUKJHP-HXUWFJFHSA-N 388.442 4.571 0 50 GJAA CCc1ccc(CN(C)C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)nc1 12319706 DPCOHTIQFHERSL-UHFFFAOYSA-N 389.430 4.864 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cccnc2)C1 12756145 DIAXTJJTTRGABW-FQEVSTJZSA-N 386.451 4.609 0 50 GJAA Clc1ccccc1Cc1noc(CN2CCCC[C@@H]2CCc2ccccn2)n1 13595575 BBGMVTDKNUNVNS-LJQANCHMSA-N 396.922 4.696 0 50 GJAA CN[C@H](c1cccc(C(F)(F)F)c1)[C@H](NC)c1cccc(C(F)(F)F)c1 22028555 SBGOGHODWUZHIY-HZPDHXFCSA-N 376.344 4.945 0 50 GJAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71754732 XJDQLIYDFPDMAH-GOSISDBHSA-N 385.527 4.726 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 95361266 NLKWFIDCGBCCMW-HNNXBMFYSA-N 377.891 4.804 0 50 GJAA Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[C@H](C)[C@H]1CCCNC1 151731044 LMUJVRORVQKMCU-ROUUACIJSA-N 394.519 4.603 0 50 GJAA CCN(C(=O)c1ccn(-c2ccccc2F)n1)c1ccc(C(F)(F)F)cc1 253392145 YTDURGJDIUSWOE-UHFFFAOYSA-N 377.341 4.697 0 50 GJAA COC(=O)[C@H](C)Oc1ccc(-c2ncc3c(Cl)cc(C(F)(F)F)cn23)cc1 261495047 XLFBAKSRRSJFMT-JTQLQIEISA-N 398.768 4.614 0 50 GJAA CCCc1nc(C)c(COC(=O)c2cc(-c3ccncc3)nc3ccccc23)o1 814073925 WHYIZXGAQREOCQ-UHFFFAOYSA-N 387.439 4.903 0 50 GJAA CC(=O)c1cc(CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cs1 952980085 UIHLRCYFNVRQMD-UHFFFAOYSA-N 384.501 4.569 0 50 GJAA O=C(O)[C@@H](c1ccccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1326503606 WDIRPPDBAOWXAD-DLBZAZTESA-N 399.796 4.558 0 50 GJAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nncc(C)c3C)cc2)c1 2356163796 RHKKGHAYSVTWBY-JOCHJYFZSA-N 387.483 4.746 0 50 GJAA CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 1205964 RFEJCQWEZIDWQM-UHFFFAOYSA-N 383.469 4.876 0 50 GJAA CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 2906486 VNHVAMUJNSCTRL-OAHLLOKOSA-N 386.879 4.511 0 50 GJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)CCn1ccnc1C 12304668 UFKOJYPBAZALQT-UHFFFAOYSA-N 386.499 4.954 0 50 GJAA COc1cc(Cl)c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1OC 12707610 CMQBXUASCUJYIM-AWEZNQCLSA-N 385.895 4.702 0 50 GJAA CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(C)c(C(=O)OCC)s1 13961245 OIXXAHCIVUZPOD-UHFFFAOYSA-N 388.533 4.983 0 50 GJAA COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(OC)c1C 15010971 DGUVDFRTMOZXRC-YBEGLDIGSA-N 389.860 4.907 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)cc1 20455277 DMSYFKSAHZNHEC-XMMPIXPASA-N 392.591 4.746 0 50 GJAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 20602565 FLRQJBQEQQIVDQ-UHFFFAOYSA-N 379.794 4.561 0 50 GJAA Clc1c(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)sc2ccccc12 20906713 PLFFGNHVQXOGHJ-UHFFFAOYSA-N 397.887 4.963 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2cc(C)[nH]n2)cc1 72420495 UNOOLNZTWGJRAE-UHFFFAOYSA-N 386.499 4.882 0 50 GJAA COc1ccc(-c2c/c(=N/N)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 85389363 BWURYVCZWQILJZ-RWEWTDSWSA-N 390.483 4.911 0 50 GJAA CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 170611128 XRJQKDNITJHFRC-UHFFFAOYSA-N 398.894 4.567 0 50 GJAA NC(=O)c1ccc(NCc2ccc(-c3ccccc3Br)cc2)cc1F 252501279 UDHOEKRWPXBHLL-UHFFFAOYSA-N 399.263 4.966 0 50 GJAA CC1=C[C@H](C)[C@@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@@H]2C 299872777 HNJMMPWWHNRBHV-RSAWAZGESA-N 397.559 4.622 0 50 GJAA CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1cccc(F)c1 324833126 GPVDYRRQKRBQME-VOTSOKGWSA-N 395.224 4.664 0 50 GJAA COc1ccc2cc(COC(=O)[C@@H]3CC(c4cc(C)ccc4C)=NO3)ccc2c1 1352284647 IFYVPBZACKIVST-QHCPKHFHSA-N 389.451 4.702 0 50 GJAA COc1cccc(-c2nc(CC(=O)N[C@H]3CCCc4ccccc43)cs2)c1 2325724241 HJALXHGBMFPTBG-FQEVSTJZSA-N 378.497 4.555 0 50 GJAA Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c3c(c(=O)oc12)CCCC3 634064 OUHRMABICFZRKO-UHFFFAOYSA-N 382.843 4.895 0 50 GJAA CCN1C(=O)c2cccc3c(NC(=O)c4cc(F)c(F)c(F)c4F)ccc1c23 947133 PRGGUNAULIQBLZ-UHFFFAOYSA-N 388.320 4.629 0 50 GJAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC1CCCCC1 956602 LHWJRJMDWOASLF-UHFFFAOYSA-N 383.542 4.899 0 50 GJAA COc1ccc([C@H](NC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1131456 ROEZAEYGTHWKSI-HXUWFJFHSA-N 396.284 4.977 0 50 GJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1ccc(OC)cc1 2762357 NXFUGRUMHLNHKC-UHFFFAOYSA-N 395.480 4.782 0 50 GJAA C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2886819 QKTVILYRHZYFMF-HOTGVXAUSA-N 384.907 4.924 0 50 GJAA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 2897712 DATOXDMOTHACME-UHFFFAOYSA-N 390.505 4.843 0 50 GJAA O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCCCC1 4113046 XUWWTBOSQWKYOL-UHFFFAOYSA-N 397.316 4.944 0 50 GJAA O=C(CSc1nc(-c2ccccc2)cs1)c1cc2ccccc2oc1=O 4516960 OMUPTPJDIINSEB-UHFFFAOYSA-N 379.462 4.892 0 50 GJAA Cc1ccc(N[C@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)cc1C 11820911 KYVIQYVUBMTTKK-NRFANRHFSA-N 382.479 4.509 0 50 GJAA CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 13939764 JVIRMVXGMHIIKI-VCRXTVNUSA-N 384.863 4.610 0 50 GJAA CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5Cl)nc4c23)C(C)(C)N1 19593622 OURKWCFJWHTGFM-UHFFFAOYSA-N 397.935 4.819 0 50 GJAA Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4)ccc3O)oc2cc1C 22145899 YLRMRQUBZQUCLG-UHFFFAOYSA-N 388.423 4.835 0 50 GJAA c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](N3CCCC3)C2)cc1 23375283 FDFJAEIZKKSXJX-XMMPIXPASA-N 386.543 4.600 0 50 GJAA Cc1c(Cl)cccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 54254180 FVAPZIJIBMZGAG-RMKNXTFCSA-N 385.964 4.676 0 50 GJAA CCc1[nH]c2c(CNc3ccc(C(=O)N4CCCC4)cn3)cc(C)cc2c1C 71735841 YHOHDXOJASYWDR-UHFFFAOYSA-N 376.504 4.590 0 50 GJAA O=C(Nc1ccccc1CCC(F)(F)F)NC1CCN(C2CCCC2)CC1 125871984 WFHXCQWGPIAJBM-UHFFFAOYSA-N 383.458 4.710 0 50 GJAA CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F 170603733 YRBKZQFNGXPTPX-CTNGQTDRSA-N 393.449 4.912 0 50 GJAA CC(C)[C@H]1CN(C)CCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 215404683 UJJUOXNPBJCHNF-JOCHJYFZSA-N 390.930 4.830 0 50 GJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H]1CC3c4ccccc4C1c1ccccc13)C2 239412377 SPUVSTRSHLYWPN-GJMOUGPWSA-N 385.551 5.615 0 50 GJAA c1cc2c(cc1[C@@H]1CCCN1c1nn3cc(C4CCCC4)nc3s1)OCO2 302549911 PXNKSYRCEXKAHJ-INIZCTEOSA-N 382.489 4.519 0 50 GJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc2c(Cl)cccc2[nH]1 952991225 UWJPLVIVWQWJGB-UHFFFAOYSA-N 381.863 4.618 0 50 GJAA O=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1ccc(F)cc1)c1ccccn1 1857798415 FSBJANBDXJWFIE-UHFFFAOYSA-N 391.377 4.862 0 50 GJAA O=C(c1ccc(OCc2ccccc2)cn1)N1CCC[C@H]1c1cc(F)ccc1F 2325818554 JZXKWOJOYSZOKK-QFIPXVFZSA-N 394.421 4.916 0 50 GJAA Cc1ccccc1C(=O)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl 1230988 HDUFOEGJRYWJSQ-HNNXBMFYSA-N 375.658 4.672 0 50 GJAA CCCCc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 2030421 GIRYWYFGJLAOGL-UHFFFAOYSA-N 375.262 4.831 0 50 GJAA CCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 2052175 SXQHCGAAOHMNKA-UHFFFAOYSA-N 385.514 4.672 0 50 GJAA CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2F)CC1 4575389 UOFDTRXBXCFPAL-UHFFFAOYSA-N 382.523 4.867 0 50 GJAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C[C@H]4CC=CCC4)CC3)c2)s1 12704937 STKZNTYBLJTDFG-KRWDZBQOSA-N 396.560 4.520 0 50 GJAA O=C(c1ccc2cccc(F)c2n1)N1CCC[C@H](c2nc3ccccc3o2)C1 91535660 ILFYLJJFFHDRJA-HNNXBMFYSA-N 375.403 4.535 0 50 GJAA CCCCn1ccnc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 91657148 IBWXRIDAAMGSSF-UHFFFAOYSA-N 379.426 4.722 0 50 GJAA CC[C@@H](C)[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1 252536453 IPTFGFMMVMYEEP-DYESRHJHSA-N 391.515 4.515 0 50 GJAA CC1(C)CC(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)CC(C)(C)N1 253395960 ARSOVFYJXMHHKV-LJQANCHMSA-N 387.955 4.546 0 50 GJAA CSc1ccc2nc(N3CCC[C@H](OCc4ccccn4)C3)cc(C)c2c1 1506401905 OKOHQWXQTAORLO-SFHVURJKSA-N 379.529 4.846 0 50 GJAA Cc1ccc(-c2cccc(CN3C[C@@H]4CC[C@H]3CN(Cc3ccccn3)C4)c2)o1 1565511267 XVMINHRAIJJUGI-QPPBQGQZSA-N 387.527 4.746 0 50 GJAA Cc1ccc(NCc2cccc(-c3ccncc3)c2)cc1N1CC[C@H](N(C)C)C1 1875260640 JGAYTSMIMVXBDT-DEOSSOPVSA-N 386.543 4.809 0 50 GJAA COc1cccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)c1 713869 QJLPVHZHKYAWHT-UHFFFAOYSA-N 380.517 4.522 0 50 GJAA CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 803526 PQXJTUXHWHJQBX-UHFFFAOYSA-N 385.920 4.559 0 50 GJAA O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Br)cc1 1101155 WOFAKAXFFDIMAM-UHFFFAOYSA-N 394.228 4.905 0 50 GJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(=O)ccc2c1 1115634 VILDWQQVVYNGKA-JTQLQIEISA-N 378.211 4.506 0 50 GJAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2c(c1)OCCO2 1185989 HGPMESQEDNQXHA-UHFFFAOYSA-N 390.370 4.657 0 50 GJAA COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 5930566 NRHSLASWKBQKOJ-IFMALSPDSA-N 391.858 4.986 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(CCCc2ccccc2)CC3)c1 14878942 VEEIXCOSTNYSIH-HSZRJFAPSA-N 376.544 4.977 0 50 GJAA O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)C1CCC1 14986673 BXNRSYNQKVTMIG-HNNXBMFYSA-N 375.390 4.592 0 50 GJAA CN(Cc1cc2ccccc2s1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 14992443 HIHZINYMCCFNEJ-FQEVSTJZSA-N 378.541 4.914 0 50 GJAA Cc1cc(C)cc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)c1 20617000 PONRPLUELRQACS-SFHVURJKSA-N 390.487 4.569 0 50 GJAA O=C(c1cnc(-c2ccccc2)s1)N(c1cccc(F)c1)C1CCOCC1 150946686 GHFBIPIALQLDMV-UHFFFAOYSA-N 382.460 4.775 0 50 GJAA Cc1oc2ncnc(NC(=O)CCc3ccc(-c4ccccc4F)o3)c2c1C 170630845 PEIYRMFPLQGZOX-UHFFFAOYSA-N 379.391 4.810 0 50 GJAA COc1ccccc1-c1nc(C(=O)N2c3ccccc3SC[C@@H]2C)cs1 225457740 JFFBUNSIPAXKFX-ZDUSSCGKSA-N 382.510 4.960 0 50 GJAA COC(=O)[C@]1(Cc2ccccc2)[C@H]2[C@@H]3[C@H]4[C@H]5C(=C6[C@@H]4[C@@H]4[C@@H]3[C@H]1[C@@H]1CC[C@@H]6[C@@H]41)CC[C@H]52 257358268 SMXBRNWVWVAOTE-ZSQZLIJJSA-N 398.546 4.749 0 50 GJAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529184561 AVPANIMCLJTBBE-RTWAWAEBSA-N 390.483 4.888 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(-c2ccc(F)cn2)n1 1875331623 QIZRVMXSCQAKRS-MRVPVSSYSA-N 398.619 4.827 0 50 GJAA CSCCc1nc(-c2cccc3cnsc23)n([C@H]2CCOC(C)(C)C2)n1 1875340960 AORKLFNTEYPVHX-AWEZNQCLSA-N 388.562 4.590 0 50 GJAA CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)sc2c1 872281 QKQJUNMXJYVQAP-UHFFFAOYSA-N 386.498 4.628 0 50 GJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2ccco2)c1 1111943 DCIDBEUHALKCFH-AWEZNQCLSA-N 398.846 4.900 0 50 GJAA COc1ccc([C@H](O)[C@@H](Nc2ccc(C)cc2)c2nc3ccccc3n2C)cc1 1185716 KZLKEGZICQIGRC-PKTZIBPZSA-N 387.483 4.777 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3cccc(C)c3C)s2)cc1 1307028 JHIJTDKSEQSKCT-UHFFFAOYSA-N 398.488 4.777 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(F)cc1 4043282 IFCAFRKWNCSKFI-UHFFFAOYSA-N 399.443 4.992 0 50 GJAA Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 4622045 CKZWAKFMBLJCHI-UHFFFAOYSA-N 383.289 4.713 0 50 GJAA O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCc2sccc2C1 12595467 FMTFTXIKLYJMGH-IBGZPJMESA-N 391.492 4.584 0 50 GJAA O=C(OCc1ccccc1)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 22050599 LWZWKAWTHAMCLH-HSZRJFAPSA-N 377.459 4.770 0 50 GJAA in-vitro Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2 44855219 WHYIGYGHYHAOQG-JOCHJYFZSA-N 392.543 4.626 0 50 GJAA CCCN(Cc1ccccn1)C(=O)c1ccc(CSc2ccccn2)cc1 55393159 ZSZNVHXTHDNYLU-UHFFFAOYSA-N 377.513 4.821 0 50 GJAA O=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(F)cccc1F 114445157 AUBGZAJDHUHMAE-UHFFFAOYSA-N 399.294 4.620 0 50 GJAA CCCN(C(=O)c1cccc(Cl)c1C)C1CCN(C(=O)c2ccccc2)CC1 195436243 QBGCGIQBKRRSRX-UHFFFAOYSA-N 398.934 4.805 0 50 GJAA CCOc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 238899571 GRSXKDRCOBANSZ-SIXWZSSISA-N 390.549 5.058 0 50 GJAA O=C(NCc1cn(C(F)F)c2ccccc12)Nc1csc(-c2ccccn2)n1 2325770991 HQIZHFUDLSRIBA-UHFFFAOYSA-N 399.426 4.877 0 50 GJAA Cc1cc2c(C[C@H](O)C(Cl)(Cl)Cl)nc(-c3ccccc3)nc2s1 824037 VRACCCATEMJPMC-ZDUSSCGKSA-N 387.719 4.940 0 50 GJAA COC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCC2 1200829 GXGZFOQSDVZANT-UHFFFAOYSA-N 384.284 4.973 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(COc3cc(C)cc(C)c3)s2)cc1 2213184 REMRIHFJYVPJNY-UHFFFAOYSA-N 398.488 4.777 0 50 GJAA O=C(/C=C/c1ccccc1)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl 2672673 MGDUDQQGPMMFBS-OFAQMXQXSA-N 387.669 4.764 0 50 GJAA Cc1ccc(CSCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 2994795 OMMMKJAYZOEKNI-UHFFFAOYSA-N 384.328 4.730 0 50 GJAA CC(C)[C@H]1C[C@@](CCNCc2ccc3c(c2)OCO3)(c2ccccc2)CCO1 4037972 CNIGJORLWLOETQ-RPWUZVMVSA-N 381.516 4.668 0 50 GJAA biogenic O=C(NCc1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5101635 JTRZIXWYKLMRLR-UHFFFAOYSA-N 386.278 4.546 0 50 GJAA Cc1ccc(-n2cc(CNCCCn3ccnc3)c(-c3cccc(C)c3)n2)cc1 11820249 RLEAOZYUQHGJPP-UHFFFAOYSA-N 385.515 4.533 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl 13326958 CYUREUFLCVHZBQ-UHFFFAOYSA-N 377.271 4.872 0 50 GJAA CCOc1ccc(N2CCc3c2nc2ccc(Br)cc2c3N)cc1 18847067 SAFXXMCKPAGZHZ-UHFFFAOYSA-N 384.277 4.672 0 50 GJAA Fc1cccc2ccc(CN[C@@H]3CCCN(CCCc4ccccc4)C3)nc12 20598363 JDJKPTIYBHLXOM-JOCHJYFZSA-N 377.507 4.561 0 50 GJAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1c1ccccc1 36360279 MVGPDFOCUGGZGI-XZOQPEGZSA-N 395.462 4.717 0 50 GJAA CCc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100985182 KEKTUTWEECCLHT-SFHVURJKSA-N 381.277 4.659 0 50 GJAA CC1(C)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 232844647 NABBJODXDVWFDY-FQEVSTJZSA-N 379.456 4.511 0 50 GJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1sc2ccccc2c1Cl 239539189 AVSLSDOZPVTVDT-SJLPKXTDSA-N 396.943 5.311 0 50 GJAA CCCN(C(=O)c1csc(Cl)n1)[C@@H](C)c1ccccc1Br 241447069 NQXDDIIQWXWVHB-JTQLQIEISA-N 387.730 5.172 0 50 GJAA CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 263617093 MAYJYGGQELZEGM-GOSISDBHSA-N 397.862 4.766 0 50 GJAA Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1coc(C2CCOCC2)n1 328785977 IVOSSPPHQGNQSP-MRXNPFEDSA-N 383.492 4.508 0 50 GJAA O=C(O)c1ccccc1OCCN1CCC[C@@H]1c1nc(C2CCCCC2)co1 364233987 CMLGBOJNLWGEEX-LJQANCHMSA-N 384.476 4.636 0 50 GJAA COCC[S@](=O)Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1 952845106 HPITYXSJWAAUCP-YKLWYRCFSA-N 377.937 4.593 0 50 GJAA C(=C/c1ccccc1)\CN1CCC(C2CCN(Cc3ccncc3)CC2)CC1 1857737488 OMQMQABDLRWMJL-QPJJXVBHSA-N 375.560 4.719 0 50 GJAA O=S(=O)(CC1Cc2ccccc2C1)Nc1cccc(Oc2ccccc2)c1 1875322909 NAGKJSNHGIRYFY-UHFFFAOYSA-N 379.481 4.636 0 50 GJAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)n(Cc2cccnc2)n1 2332237379 YIICYRGNQHICGC-UHFFFAOYSA-N 383.883 4.921 0 50 GJAA COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 849425 FMLHQNYQAGCIEJ-UHFFFAOYSA-N 396.874 4.591 0 50 GJAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(SC(F)(F)F)cc1 856520 FLUJXWHYRTYBQM-CQSZACIVSA-N 398.431 4.740 0 50 GJAA CC(C)c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951135 BLMUYFSZGPJTAB-UHFFFAOYSA-N 384.435 4.863 0 50 GJAA O=C(NCCSCc1cccc(Cl)c1)c1ccc(Br)cc1 2984158 OQYACRYZXQJMDD-UHFFFAOYSA-N 384.726 4.766 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)cc1 4611132 PPLDCVQNLICLGC-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C 4743788 DTQMGIBSMKECAI-UHFFFAOYSA-N 381.472 4.718 0 50 GJAA COc1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c(Cl)c1OC 11762324 OTNLDWARHDEPAZ-QGZVFWFLSA-N 378.875 4.573 0 50 GJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccn2-c2ccccn2)C1 12307047 YZSCVGMHSCGXIL-GOSISDBHSA-N 379.891 4.621 0 50 GJAA c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccccc2OC2CCCC2)nc1 15072028 NJYAENTWYGNIBC-OAQYLSRUSA-N 388.515 4.756 0 50 GJAA CC(C)(C)N[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 19315928 GRNHCOSBGGDGMJ-CQSZACIVSA-N 379.759 4.798 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 20600806 DWSRMPLEIHDLHE-INIZCTEOSA-N 381.907 4.630 0 50 GJAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2F)C1 42942891 KIPXOPCJRPAGOM-INIZCTEOSA-N 383.442 4.743 0 50 GJAA c1ccc(-c2ccc(-c3n[nH]c4c3CN(CCc3cscn3)CC4)cc2)cc1 67756309 GHZAXMBJFGADSV-UHFFFAOYSA-N 386.524 4.801 0 50 GJAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71774596 ULXWEQFGOSUSAN-IBGZPJMESA-N 385.527 4.726 0 50 GJAA CC(C)c1nnc([C@@H](C)NC(=O)Nc2ccc(OCc3cccs3)cc2)o1 95529808 NFMLYNQLBJNFAE-CYBMUJFWSA-N 386.477 4.716 0 50 GJAA COc1ccccc1C(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1OC 170618112 LICZRWYHYROUCX-LJQANCHMSA-N 392.480 4.757 0 50 GJAA Cc1c([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cnn1C 171998889 QGUUOGYCQWADMG-CYBMUJFWSA-N 387.405 4.905 0 50 GJAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cnn(-c2ccccc2Cl)c1 225404631 SLNAJKRLAXVLIK-KXBFYZLASA-N 392.890 4.767 0 50 GJAA OCc1ccccc1CN1CCN(Cc2ccc(C3CCCCC3)s2)CC1 828831877 GXWHMUPGCDGSBE-UHFFFAOYSA-N 384.589 4.606 0 50 GJAA Cc1ccc(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 808656 OHONZWIZKDSTOH-KRWDZBQOSA-N 385.722 4.771 0 50 GJAA Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 2738082 IGDJMRCASYCMPR-DLBZAZTESA-N 384.501 4.847 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1OC 4281939 XBDHREMDDJXHEO-HYBUGGRVSA-N 386.451 4.946 0 50 GJAA CCc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccc(C)cc3)c2)cc1 4840577 PXKWZRIFHRZXLB-UHFFFAOYSA-N 393.508 4.784 0 50 GJAA Cc1ccc(-c2nc(CN3CCC(OCc4cccnc4)CC3)c(C)o2)s1 12318182 JVDSQDNUCJDJAW-UHFFFAOYSA-N 383.517 4.596 0 50 GJAA O=C(CCC(F)(F)F)N1CCC[C@H](c2ncncc2-c2ccccc2Cl)C1 14989377 LSOPGXHMGQSLQB-ZDUSSCGKSA-N 397.828 4.846 0 50 GJAA Cc1cc(C)cc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 16193514 CESVFIDHJYDIMH-ULBZPVTCSA-N 379.459 4.700 0 50 GJAA O=C(c1ccccc1F)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19841717 SMXZLDPUYPWMKW-UHFFFAOYSA-N 390.458 4.576 0 50 GJAA CCn1ncc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1C 20605329 MGHPJRNMBSSGAE-UHFFFAOYSA-N 389.356 4.770 0 50 GJAA O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccccc2Cl)CC1 44932998 VLLIPBNVPBVEMJ-QFIPXVFZSA-N 382.935 4.746 0 50 GJAA CCCCn1cc(-c2cc(C(=O)N3CCCC3)c3cc(C)cc(C)c3n2)cn1 63847648 LLTWKCSUTCLSTB-UHFFFAOYSA-N 376.504 4.751 0 50 GJAA COC[C@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)nc2)C1 67688708 ZGXQJBPANXMIRJ-ZDUSSCGKSA-N 379.287 4.554 0 50 GJAA Cc1ccsc1[C@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C 67909708 HBOLUIVFUNCACN-KRWDZBQOSA-N 377.517 4.613 0 50 GJAA Cc1c(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)n(C)c2c(C)cccc12 95370115 CPEKURPTNGFBKO-SFHVURJKSA-N 378.520 4.592 0 50 GJAA CC(=O)NCC[C@H]1CCCCN1C(=O)Nc1cccc(-c2cccc(C)c2)c1 95519634 AHJQUKUPWLEKNY-JOCHJYFZSA-N 379.504 4.575 0 50 GJAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Sc3ccc(Cl)cc3)cc1)[C@H]1C=C[C@H]2C1 100964055 XWVARADXLLMZLV-OYUDYFSCSA-N 381.884 4.803 0 50 GJAA Cc1ccc(C)c(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1 169759752 BVVHIVTZLUXNAO-FQEVSTJZSA-N 381.863 4.677 0 50 GJAA Cc1nc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 188426397 MZUPSKKSKBMISU-MRXNPFEDSA-N 398.454 4.905 0 50 GJAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O 1875265784 CBGDCLQOJQYHAP-MISYRCLQSA-N 392.524 4.729 0 50 GJAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 853822 TVYZIKGAJRDPJC-OAHLLOKOSA-N 390.266 4.614 0 50 GJAA O=C(Cc1c(F)cccc1Cl)Nc1nnc(Cc2ccc(Cl)cc2)s1 1049075 AIOUVIBMFKBBOU-UHFFFAOYSA-N 396.274 4.756 0 50 GJAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 1066347 QMMSVXBVHFZFLQ-UHFFFAOYSA-N 393.874 4.957 0 50 GJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 1110291 JMOVPHBWQHPCSA-LBPRGKRZSA-N 391.368 4.562 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccco2)cc1 1218808 BGGVMMMLSLQIMC-UHFFFAOYSA-N 394.452 4.688 0 50 GJAA CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@H](C(=O)O)C1 2736122 NSTQVJHUSUXFQI-IAGOWNOFSA-N 384.501 4.813 0 50 GJAA Cc1ccccc1-c1cc(C(=O)NC2=NCCS2)c2cc(Cl)ccc2n1 2867571 DOTGQADKAHZWLU-UHFFFAOYSA-N 381.888 4.696 0 50 GJAA COc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc(Cl)cc2)c1 4811191 SYMXLGOLNQSVFZ-MOPGFXCFSA-N 384.863 4.508 0 50 GJAA CCCc1ccc2oc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)c(C)c2c1 12320698 SCJRWNWUOOHICR-HXUWFJFHSA-N 392.499 4.910 0 50 GJAA Cc1cccc(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)n1 19742530 WQURREVFRARJSU-LJQANCHMSA-N 376.479 4.674 0 50 GJAA Cc1noc(C)c1N(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 130011097 OKYOJJXEUHBEQH-UHFFFAOYSA-N 382.386 4.579 0 50 GJAA CC(=O)O[C@H](C)C(=O)C[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCc1ccoc1 238760072 KMEPKEFHJNCARE-MPHOGZCYSA-N 376.493 4.525 0 50 GJAA biogenic Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)c1 239433523 XVJHDDGBRLQPNR-OJJQZRKESA-N 395.502 5.462 0 50 GJAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 253498904 CVNYHSDFZXHMMJ-RUHYDZRQSA-N 390.564 4.686 0 50 GJAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257356427 HZUUHCXBSGFHDC-FEUTXHOWSA-N 376.537 4.750 0 50 GJAA CC[C@H](C)C(=O)Nc1cccc(C(=O)N(C)Cc2cc(Cl)ccc2OC)c1 952985539 CGYXYFXAALDAJP-AWEZNQCLSA-N 388.895 4.605 0 50 GJAA CC(C)(C)[C@@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1775956150 WMAITKNAVDCEQY-DEOSSOPVSA-N 393.483 4.758 0 50 GJAA O=C(Nc1nnc(-c2ccc(OC(F)F)cc2)s1)c1ccc2ncccc2c1 1775976443 MLEPIEBSYWUZTR-UHFFFAOYSA-N 398.394 4.607 0 50 GJAA FC(F)(F)c1nc(CNCc2ccc(-c3ccsc3)nc2)c2n1CCCC2 2325774260 XVEPPRRDKIRNPR-UHFFFAOYSA-N 392.450 4.652 0 50 GJAA Oc1nc2ccc(-c3noc([C@@H]4C[C@H]4c4ccc(Br)cc4)n3)cc2o1 2325819528 HSPVVGLLDYKGNL-QWHCGFSZSA-N 398.216 4.617 0 50 GJAA COc1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 727285 PAKGUAHMFYICHS-OAQYLSRUSA-N 378.859 4.828 0 50 GJAA CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1Br 817489 NCTJDSOEMSPYKN-UHFFFAOYSA-N 384.657 4.762 0 50 GJAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2 1518010 ZFRKAZIFJQTJSC-UHFFFAOYSA-N 390.370 4.657 0 50 GJAA CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCCc3ccccc3)ccc21 2337661 FJZWYJJZISDDKZ-UHFFFAOYSA-N 399.494 4.502 0 50 GJAA c1ccc(CSc2nnc3c(n2)O[C@@H](c2cccnc2)Nc2ccccc2-3)cc1 3002034 ANDJTOAKLHGVET-FQEVSTJZSA-N 399.479 4.729 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 12448624 DREAPRPOQXHUAR-LJQANCHMSA-N 381.476 4.647 0 50 GJAA Cc1c(C)n(Cc2ccco2)c2ncnc(SCC(=O)c3cccs3)c12 16622110 SDTJFBMNNGTVNP-UHFFFAOYSA-N 383.498 4.726 0 50 GJAA Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CC[C@@H]1CCCN1C 65375672 HAIBSWOAFVAONZ-SFHVURJKSA-N 391.544 4.719 0 50 GJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 71422371 XHCTWYPJVGSJFK-GOSISDBHSA-N 389.499 4.576 0 50 GJAA CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@H]1CCCO1 72479028 NVXSOWGBQKEOCW-LJQANCHMSA-N 399.897 4.943 0 50 GJAA COc1cccc(CN(C)Cc2c(C)noc2C)c1OCc1cccc(F)c1 97572196 VXTWVRDQQADKIQ-UHFFFAOYSA-N 384.451 4.650 0 50 GJAA CC(C)OCc1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 171259350 XHLPFYPBWBBJCM-FQEVSTJZSA-N 396.487 4.752 0 50 GJAA Cc1c(C(=O)Nc2ccccc2-n2cccn2)oc2ccc(Br)cc12 334161685 DMHDEPALVZLORO-UHFFFAOYSA-N 396.244 4.942 0 50 GJAA C[C@H]1C[C@@H](C)[C@@H](C(=O)O)[C@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 958528064 SLJCYEDXGJJBDY-TWJGEFDFSA-N 393.483 4.755 0 50 GJAA O=C(NCCc1cc(Cl)ccc1Cl)Nc1ccc(-c2cn[nH]c2)cc1 1875305050 DSBGELIWAARFKK-UHFFFAOYSA-N 375.259 4.748 0 50 GJAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)N[C@H]1CC[C@H](C(=O)O)CC1 2356151038 NRAYMMZBBTVLCN-NSISKUIASA-N 385.891 4.622 0 50 GJAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 832895 FHKLUTDTYBZNKL-INIZCTEOSA-N 385.423 4.810 0 50 GJAA CC(C)c1ccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 920293 LMWWTOUCLRXKRK-OAHLLOKOSA-N 378.394 4.618 0 50 GJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccco1 1119117 FNXWGLQWBZZNFX-UHFFFAOYSA-N 386.498 4.671 0 50 GJAA COc1ccc2cc(Br)ccc2c1CC(=O)N1CCc2ccccc21 1123382 JOSBOEAURUOVFR-UHFFFAOYSA-N 396.284 4.743 0 50 GJAA CCCc1cc(=O)oc2cc(OCC(=O)OCc3ccccc3)c(Cl)cc12 1210682 NIMLDIUAXFZTBP-UHFFFAOYSA-N 386.831 4.521 0 50 GJAA O=C(Nc1nnc(COc2ccccc2Cl)s1)Nc1ccccc1F 1288700 GLRCDWAYAIJIRH-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c1 2049798 ZDOCZQXKOSBONL-UHFFFAOYSA-N 376.909 4.954 0 50 GJAA Cc1ccc(OCCSc2nnc(NC(=O)C3CCCCC3)s2)cc1 2845310 YZGWNOPFTPQUPK-UHFFFAOYSA-N 377.535 4.536 0 50 GJAA C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2cccc3cccc1c23 2884956 FQDKQEKQTIIXKL-LBPRGKRZSA-N 395.256 4.590 0 50 GJAA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1 2980740 LPRPIOHKPMRQSS-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 4833318 ZCPCQUJSVHQIRF-GFCCVEGCSA-N 388.533 4.751 0 50 GJAA CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(NC(=O)OC)cc21 5007275 VOTHKEXFMIFQLK-UHFFFAOYSA-N 399.516 4.726 0 50 GJAA Cc1cccc(CNC(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)n1 11821883 FSXQQIPRHGLQLS-HXUWFJFHSA-N 380.875 4.587 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)cc1 67884649 RJPWDUQJGGEJCB-QGZVFWFLSA-N 378.476 4.516 0 50 GJAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1F 169759780 BRJLWSPNFBOJBL-IBGZPJMESA-N 385.826 4.508 0 50 GJAA Cc1cc(C(=O)COc2ccccc2-c2nccs2)c(C)n1-c1nccs1 170603023 CYHSZCSWBVENKW-UHFFFAOYSA-N 395.509 4.936 0 50 GJAA C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccc(F)cc1 239302880 FTGMSKYZJVDEFA-NLVYQNSPSA-N 389.514 5.714 0 50 GJAA C[C@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 239338708 KZUDQFQQDYTJBX-CYFREDJKSA-N 387.527 4.706 0 50 GJAA O=C(NCc1ccc(Cl)cc1)c1c(C(F)(F)F)cnc(Cl)c1Cl 263640006 SMLFQVGIFSJSJE-UHFFFAOYSA-N 383.584 4.991 0 50 GJAA C[C@H](NC(=O)N1CCC(O)(C2CC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 1776000286 OAUXEZWPRNCORU-INIZCTEOSA-N 382.479 4.500 0 50 GJAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCCCO[C@@H]3CCOC3)c2c1 1875259850 LHZFCSPWNLKPFX-LJQANCHMSA-N 391.467 4.563 0 50 GJAA O=C(OCc1ccc2cccnc2c1)c1cnc(Cc2ccccc2F)s1 1875337903 ITOKEGCVDDRNJN-UHFFFAOYSA-N 378.428 4.778 0 50 GJAA CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848717 BEJWZWWMCRMQNA-JTQLQIEISA-N 396.800 4.597 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC 1122323 GRAIFBJRTUJHCB-UHFFFAOYSA-N 394.544 4.875 0 50 GJAA CCc1cc2c(SCC(=O)c3ccc(Br)cc3)ncnc2s1 1143108 PEBFZBANGHUMKL-UHFFFAOYSA-N 393.331 4.991 0 50 GJAA O[C@H](CNc1ccc(Cl)cc1)COc1ccc(OCc2ccccc2)cc1 1145416 CVWXVENXFLQGQN-HXUWFJFHSA-N 383.875 4.771 0 50 GJAA COC(=O)c1ccccc1NC(=O)c1cccc2c(Br)cccc12 4503105 WBQCQBRXHLNRQR-UHFFFAOYSA-N 384.229 4.641 0 50 GJAA Nc1ccccc1SCC(=O)Nc1ccc(Br)c2ccccc12 4866002 PPAAYSHGSRTOHX-UHFFFAOYSA-N 387.302 4.915 0 50 GJAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 12302756 DFIWKMJATIYCEI-IBGZPJMESA-N 380.423 4.986 0 50 GJAA Fc1ccc(C2=C[C@H](c3ccccc3C(F)(F)F)n3ncnc3N2)cc1F 19891532 ZQXUAUWDKBEQCS-MRXNPFEDSA-N 378.304 4.631 0 50 GJAA C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1c[nH]nc1-c1cc2ccccc2o1 20452531 DQOKJQILRLFNAO-OAHLLOKOSA-N 389.455 4.787 0 50 GJAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC([C@H](O)c2ccccn2)CC1 20707172 WDEVPXJRKQHSOB-NRFANRHFSA-N 396.874 4.581 0 50 GJAA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccc(Cl)n1 122660574 BCOODCRNIWQYFB-AWEZNQCLSA-N 381.307 4.527 0 50 GJAA O=C(Nc1ccc(Cl)cc1Br)c1cnc(-c2ccccn2)s1 158182413 LGGMSSLFRNILDP-UHFFFAOYSA-N 394.681 4.873 0 50 GJAA CCCN(CCc1cccc(F)c1)C(=O)Nc1cccc(N2CCOC2=O)c1C 174560239 ASGOYCSRLMCALT-UHFFFAOYSA-N 399.466 4.577 0 50 GJAA CCOC[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 176552217 JAXDIIUSHZNKJR-CQSZACIVSA-N 399.491 4.993 0 50 GJAA O=C(NCC1(N2CCCCC2)CCCC1)c1ccc(-c2ccc(O)cc2)cc1 828916647 ZOXJSQMEEIVHNO-UHFFFAOYSA-N 378.516 4.588 0 50 GJAA Cc1ccc(-c2nc([C@H](C)Oc3ccc(Br)cc3Cl)no2)cn1 1875331722 VSJSMQOWELEWOI-JTQLQIEISA-N 394.656 4.996 0 50 GJAA COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)cc1Cl 668829 GGMVOTQJBUXCGV-NSHDSACASA-N 384.259 4.725 0 50 GJAA COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)cc1 1093176 IDQRZPRKUAXDQE-AVRDEDQJSA-N 390.464 4.509 0 50 GJAA CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 2735808 PZYGZLGABCCKHF-UHFFFAOYSA-N 392.286 4.550 0 50 GJAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc2c1Cl 2786445 ZLVVSYMOTXTSIQ-UHFFFAOYSA-N 377.700 4.978 0 50 GJAA Cc1cccnc1C[C@H](C)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 12307882 PUEDQWBVAOBKGJ-HNNXBMFYSA-N 389.430 4.698 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cccn2-c2cccnc2)c1C 12318568 XDYDWVRZKWWNCV-QHCPKHFHSA-N 397.526 4.842 0 50 GJAA COc1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)on2)c1 12849191 HNIUORNVOBGEOR-UHFFFAOYSA-N 378.306 4.501 0 50 GJAA O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCc2ccccc21 13644437 SPZIPWPSVIHMDX-UHFFFAOYSA-N 390.446 4.752 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)N(C)C[C@H]3CCCO3)cc(-c3ccco3)nc12 20209619 SJNFWOMFVUSWOJ-CQSZACIVSA-N 384.863 4.708 0 50 GJAA CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1 33086974 ZGQBPVBKJHKKSE-SFHVURJKSA-N 376.522 4.621 0 50 GJAA COCc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1 34633339 GKBAYGQZTRAWTQ-MRXNPFEDSA-N 385.895 4.849 0 50 GJAA COc1ccc([C@@H](CC(=O)N(C)CCc2scnc2C)c2ccccc2)cc1 95497526 RPENOKYDZCFADE-NRFANRHFSA-N 394.540 4.683 0 50 GJAA C/C(=C\[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112973008 JXTNUXJSXXIIFE-KETLNSEPSA-N 381.472 4.820 0 50 GJAA Cn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H]3CCCC[C@H]3C2)c1=S 252444027 SUUKMYRYSFDUBL-ZBFHGGJFSA-N 376.957 4.741 0 50 GJAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 263639856 MHMNAZUDCJCDFH-UHFFFAOYSA-N 383.584 4.991 0 50 GJAA C[C@H](CC(=O)NC[C@@]1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 731366712 BDYZDVOLLODNDE-VFNWGFHPSA-N 391.433 4.539 0 50 GJAA CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c(C)c1 888094373 QDRZADIISJRLHO-PXNSSMCTSA-N 383.536 4.732 0 50 GJAA COC(=O)c1ccc(CCCCCCCCCc2ccc(C(=O)OC)nc2)cn1 1775953770 QZEIGUCIWCNWEF-UHFFFAOYSA-N 398.503 4.566 0 50 GJAA Fc1ccc(CNC2CC(Nc3nc(C(F)(F)F)nc4ccccc34)C2)cc1 1775988471 GXOGWELTNHRNPC-UHFFFAOYSA-N 390.384 4.520 0 50 GJAA O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccccc1F 722693 DJTZLBOEGVWNQP-UHFFFAOYSA-N 382.398 4.965 0 50 GJAA COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1114023 PWYVCIPNEJLUKT-HXUWFJFHSA-N 396.284 4.977 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@@H](C)C(=O)OCC)cc12 1168205 WSSZCYCBAKWOFG-AWEZNQCLSA-N 382.412 4.607 0 50 GJAA biogenic CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(OCC)cc1 4884451 BENPWSNDZUFHQU-UHFFFAOYSA-N 378.472 4.569 0 50 GJAA Cc1ccccc1[C@@H](NC(=O)c1cc(CCc2ccccc2)no1)c1ccncc1 11909256 GVMVKYDXMSGZKI-DEOSSOPVSA-N 397.478 4.683 0 50 GJAA CCCCNC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 11912436 KJYXIEMZDFZRTQ-IBGZPJMESA-N 379.548 4.536 0 50 GJAA COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c(F)c1 15070443 YYMRTEGCGFUWFL-UHFFFAOYSA-N 385.460 4.663 0 50 GJAA Cc1ncc2c(c1-c1noc(-c3ccccc3-c3ccccc3F)n1)CCNC2 19788707 JLUNZTUBQPFQQL-UHFFFAOYSA-N 386.430 4.559 0 50 GJAA Cc1nn2c(ncc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1ccccc1 19818795 RVSSPUCISZTLCO-UHFFFAOYSA-N 386.842 4.662 0 50 GJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 55243421 KYWNUPQZAQQQJD-INIZCTEOSA-N 383.492 4.681 0 50 GJAA Cc1ccc(C(=O)Nc2cc(NC(=O)c3cnoc3C3CC3)ccc2C)cc1 55361033 LGUVBRSUHBHOGE-UHFFFAOYSA-N 375.428 4.673 0 50 GJAA CCCO[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2OC)C1 96151622 GRYRKONDDNZWGB-KRWDZBQOSA-N 384.476 4.910 0 50 GJAA CC[C@H](C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)C1CCC(C)CC1 1438856383 MPDYWYCTXUQRJP-ZNIKRAEXSA-N 394.563 4.690 0 50 GJAA Cc1ccc(F)c(C(=O)N2CCC3(CC2)OCCc2sccc23)c1Cl 1704312235 GRXKSKDHWABBNE-UHFFFAOYSA-N 379.884 4.553 0 50 GJAA O=C(CC1CCCC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704343274 VQGIKVAGTDRYIW-DEOSSOPVSA-N 375.516 4.530 0 50 GJAA C[C@H](N[C@H](C)[C@H]1C[C@H]1c1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 1875258705 YFMDTOVBKROXQV-ATLSCFEFSA-N 388.914 4.608 0 50 GJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N[C@H]1C[C@H]1Cc1ccccc1 1875260407 XOEPOWWKUAOOSU-KCCBKOOLSA-N 388.442 4.774 0 50 GJAA O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc(Br)c3ccccc3c2N1 861544 ZGCCZJLTGIIXKX-CQSZACIVSA-N 396.240 4.805 0 50 GJAA Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3cccc4ccccc34)S2)cc1 1294967 AEKJRCSYXSJEIB-LJQANCHMSA-N 389.480 4.587 0 50 GJAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(F)cc3)ccc12 2826477 QVULDUJFRJEVBR-UHFFFAOYSA-N 383.419 4.601 0 50 GJAA O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 2849366 GXVORLSDTRPBNA-UHFFFAOYSA-N 392.565 4.550 0 50 GJAA Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 3660398 DKQBULUTZALYTI-QFIPXVFZSA-N 390.870 4.832 0 50 GJAA Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccccc4C)cn23)cs1 11935661 LJQVQILIRVQVHO-LBPRGKRZSA-N 382.514 4.627 0 50 GJAA CCc1ncc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 71738714 QNLLHELYKPZGGF-INIZCTEOSA-N 377.454 4.903 0 50 GJAA CCn1nc(C)c(CCC(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)c1C 169773999 AWYJZONXDRKLQI-IBGZPJMESA-N 398.938 4.781 0 50 GJAA CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1cccc(N3CCOC3=O)c1)CC2 180815428 GYJXEVLKXUVCPT-UHFFFAOYSA-N 393.487 4.531 0 50 GJAA Cc1nc(S[C@H](C(N)=O)c2ccccc2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 241383168 MSZQWYFHIPGFAE-QVHQYWGISA-N 383.561 4.816 0 50 GJAA COc1ccc(F)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1OC 241837508 SKSRBRRJWYXUSS-UHFFFAOYSA-N 392.839 4.872 0 50 GJAA CCCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 299738275 QDUMWYDYNSFEJG-UHFFFAOYSA-N 382.435 4.679 0 50 GJAA C[C@@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828916627 FNGXFVWGKGMHBI-BNUTXVDOSA-N 391.511 4.509 0 50 GJAA CC(=O)Nc1sc(NC(=O)c2ccc3ncccc3c2)nc1-c1cccs1 1775976070 OAVBYGJDEJLJCN-UHFFFAOYSA-N 394.481 4.631 0 50 GJAA O=C1CC[C@@H](c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)cc2)N1 1857533412 STAZMKZYSASHIM-KRWDZBQOSA-N 390.464 4.511 0 50 GJAA Cn1nc(-c2ccccc2F)c(CNc2ccc3c(c2)CCCC(=O)N3)c1Cl 1875336316 CLQSOOSVCUCRIG-UHFFFAOYSA-N 398.869 4.767 0 50 GJAA CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1COc1ccccc1Cl 2325809483 AJYXYBRLBHXJPL-YVLHZVERSA-N 389.860 4.642 0 50 GJAA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC(C)C)C1 667512 CROXCYAFGVHAHP-CYBMUJFWSA-N 375.490 4.982 0 50 GJAA CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(OC)c1 1058095 TURDQBUSFMTYJF-UHFFFAOYSA-N 389.908 4.831 0 50 GJAA COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 1142451 LCFZPNIUSOPLMA-UHFFFAOYSA-N 388.492 4.702 0 50 GJAA O=C(Nc1ccc(Br)c2ccccc12)C(=O)c1c[nH]c2ccccc12 2543467 SIKLOOUWZMEOOA-UHFFFAOYSA-N 393.240 4.905 0 50 GJAA CCc1ccc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)cc1 2744122 SSXWNRLRWMWYKH-UHFFFAOYSA-N 390.409 4.860 0 50 GJAA CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 2836745 KKJFGHHPZYNQIZ-LLVKDONJSA-N 380.872 4.783 0 50 GJAA CCOC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)c1ccccc1 3201351 ONTAZNPFOLQSJF-JOCHJYFZSA-N 392.451 4.663 0 50 GJAA CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 5050440 JNELQFYIJZHTMH-UHFFFAOYSA-N 395.890 4.604 0 50 GJAA C/C(=C\c1ccccc1)CN1CCC(C(=O)NCc2ccccc2Cl)CC1 5826238 FJMBGMWJJFTVMA-OBGWFSINSA-N 382.935 4.772 0 50 GJAA Cc1ccc([C@H](C)CCN2CCOc3c(O)cc(-c4ccccn4)cc3C2)o1 12048257 UMPFJHLGVMDGDA-MRXNPFEDSA-N 378.472 4.744 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2)CC1 12076464 GZFJCXDNJRYWCE-UHFFFAOYSA-N 387.483 4.725 0 50 GJAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 12138889 KXPQLZNEYQKYFU-UHFFFAOYSA-N 384.479 4.693 0 50 GJAA COc1ccc2ccc(OCc3nc(C(=O)N4CCCCCCC4)co3)cc2c1 14953413 AYRWGGLUUHEDSU-UHFFFAOYSA-N 394.471 4.822 0 50 GJAA CC[C@@H](C)CC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 14954716 CMIYGWSJAQRXHW-MLGOLLRUSA-N 389.492 4.613 0 50 GJAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 20455974 LVBUWHOLIRFXAW-INIZCTEOSA-N 381.426 4.683 0 50 GJAA CC[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(OC)cc1 20616972 KMMJELRTIXINAW-CYBMUJFWSA-N 397.422 4.543 0 50 GJAA Cn1cc(Cl)c(-c2c(-c3ccccc3)ncn2Cc2nc3ccccc3[nH]2)n1 67868575 CZIJBTJETDUALQ-UHFFFAOYSA-N 388.862 4.529 0 50 GJAA Cc1c(CN2CCc3[nH]nc(-c4cccc(F)c4)c3C2)[nH]c2ccc(F)cc12 71315617 CLJIRQRFWZARMR-UHFFFAOYSA-N 378.426 4.703 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2C(=O)N2CCCCC[C@@H]21 169766160 XPCPYEWLAXNZQM-OAQYLSRUSA-N 395.478 4.569 0 50 GJAA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 225508554 JOQCTQWWRQUXAF-KRWDZBQOSA-N 390.493 4.744 0 50 GJAA Cc1nc2ccc(NC(=O)N(C)[C@@H](C)c3ccc4c(c3)OCCO4)cc2s1 299787350 QEHRFYMPIZSKEX-LBPRGKRZSA-N 383.473 4.601 0 50 GJAA c1ccc(CN=c2[nH]c(N3CCCc4sccc4C3)nc3ccccc23)cc1 2325866429 KPEXNELKNANYFW-UHFFFAOYSA-N 386.524 4.678 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc(C)c1C 622544 WXDRZCJOHRWFQC-UHFFFAOYSA-N 389.517 4.857 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2c1ccc1cc(C)ccc12 637499 UVKHAKIUGKSXPC-UHFFFAOYSA-N 387.435 4.817 0 50 GJAA C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OCc1ccccc1 951371 CHJDGGGZIRDJNJ-CYBMUJFWSA-N 384.526 4.794 0 50 GJAA CCc1nc(OCc2ccco2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1071160 OLNQFOYMYUKHET-UHFFFAOYSA-N 395.484 4.825 0 50 GJAA CC(=O)Nc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1 2362910 JPWMNUMPNSONNM-UHFFFAOYSA-N 397.482 4.895 0 50 GJAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@H]1CC=CC[C@H]1C(=O)O 2754729 KYLLGCLZUYTHTL-DLBZAZTESA-N 378.453 4.569 0 50 GJAA CCN(Cc1ccccc1)C1CCN(Cc2ccccc2Br)CC1 2782620 LARAUHCHGYXQSZ-UHFFFAOYSA-N 387.365 4.936 0 50 GJAA Cc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O 2830033 HRWMDSQVERALTH-KRWDZBQOSA-N 398.462 4.533 0 50 GJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2)c(C)c1 2857050 QMDAKSIAQDHDLJ-UHFFFAOYSA-N 391.309 4.621 0 50 GJAA CCCCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 2874829 OHKDVTARYHUZRS-UHFFFAOYSA-N 376.869 4.750 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 4551558 PKUHOXJENXEMMM-ZJSXRUAMSA-N 386.451 4.946 0 50 GJAA Cc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(N)n3n2)cc1 4832007 LHNPEHXHXPQMFY-UHFFFAOYSA-N 379.261 4.716 0 50 GJAA COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 4853945 MGNCWMZKPRYJJK-GBXCKJPGSA-N 386.451 4.946 0 50 GJAA COc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1F 4942818 UZXRUWQGYGMTKY-UHFFFAOYSA-N 375.827 4.950 0 50 GJAA COc1ccc(-c2c(C)nn3c(NC4CCCCC4)cc(C)nc23)cc1OC 7636182 UXTCUWPLWOZTCW-UHFFFAOYSA-N 380.492 4.775 0 50 GJAA CCn1c(CN[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc2ccccc21 11664487 DMBLXRMPLCVMAP-GOSISDBHSA-N 389.478 4.548 0 50 GJAA OC[C@]1(CCc2ccccc2)CCCN(Cc2c[nH]nc2C2CCCCC2)C1 12200512 RCAPBGSXOBRFMC-DEOSSOPVSA-N 381.564 4.665 0 50 GJAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cn(C2CCCCCC2)nn1 14965606 LXDLBCXUBVFBTC-UHFFFAOYSA-N 399.926 4.589 0 50 GJAA Cc1nc2c(s1)CCC[C@H]2n1cnc(-c2ccccc2)c1-c1[nH]cnc1C 67605410 ZNRNQVVQXQFNOM-MRXNPFEDSA-N 375.501 4.939 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 101895504 UGQLSXAXRJZOBG-YXUGBTPSSA-N 387.401 4.888 0 50 GJAA Cc1cn(-c2ccccc2)nc1NC(=O)c1cc(Cl)ccc1OC(F)F 241644725 PSYBIZFWEIHCPX-UHFFFAOYSA-N 377.778 4.688 0 50 GJAA COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC(C)C)cc1 253409540 LZBRQXCJSGRQRV-NRFANRHFSA-N 377.488 4.678 0 50 GJAA O=C(CCCc1ccc2nc(O)[nH]c2c1)N1CCCC[C@H]1c1ccc(F)cc1F 432845025 BLFWVSXNDJDQOG-FQEVSTJZSA-N 399.441 4.623 0 50 GJAA FC(F)(F)c1cccc([C@H](NCc2noc(-c3ccoc3)n2)C2CCC2)c1 952845201 FMOQHSCNYGVMRT-QGZVFWFLSA-N 377.366 4.979 0 50 GJAA COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 693016 RIFPAPXGKRZUGF-UHFFFAOYSA-N 399.450 4.902 0 50 GJAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@@H](C)C3)cc1 708178 ZDMHPWRPFKPADV-OAHLLOKOSA-N 382.529 4.670 0 50 GJAA CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12 882703 NDWUIZBWDDNPSM-UHFFFAOYSA-N 397.438 4.636 0 50 GJAA aggregator Cc1cc(C)cc(NC(=O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1 1118708 BNSZJFHRJPHVAV-UHFFFAOYSA-N 385.847 4.698 0 50 GJAA O=C(COC(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 1164208 HUNVQINENZHTKB-UHFFFAOYSA-N 388.044 4.796 0 50 GJAA biogenic COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 1207525 QAKBWGAKTNVDCY-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(Cc2ccccc2)c1C 1893818 MRYGCAHCJOMHFJ-UHFFFAOYSA-N 379.481 4.995 0 50 GJAA CCCCCOc1ccc(NS(=O)(=O)c2cccc3ncsc23)cc1 2879355 BOXYHPPRBRNNQS-UHFFFAOYSA-N 376.503 4.666 0 50 GJAA N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)S1 5034950 HKESPCUAVYIEGD-CHHVJCJISA-N 397.258 4.850 0 50 GJAA c1ccc(-c2ccc(-c3n[nH]cc3CNCc3cnc4ccccn34)cc2)cc1 12305325 IFDCYYBAFBAPCF-UHFFFAOYSA-N 379.467 4.681 0 50 GJAA CCOc1ccccc1-c1nc(CN(C)Cc2ccc3nccnc3c2)c(C)o1 14968901 SWYOWLUWSMPPAL-UHFFFAOYSA-N 388.471 4.624 0 50 GJAA COc1ccc(F)c(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)c1 14974308 MJDNIAQYXOMEKF-UHFFFAOYSA-N 391.446 4.978 0 50 GJAA O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 37866151 SOLIIYNRSAWTSQ-UHFFFAOYSA-N 389.842 4.559 0 50 GJAA investigational O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2cccs2)CC1 57530823 ZANKYZVOLPXOLP-UHFFFAOYSA-N 384.332 4.841 0 50 GJAA CC[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12 67846756 YUIISIHWWZBZKQ-GOSISDBHSA-N 394.475 4.820 0 50 GJAA Cc1noc(-c2ccc(N[C@@H]3CC(C)(C)Cc4nc(C(C)(C)C)ncc43)nc2)n1 91997111 JWBGADYWGJOGJZ-MRXNPFEDSA-N 392.507 4.653 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccc(Cl)o2)C1)NCc1ccc(F)c(F)c1 95529231 ATVJEHDOJMSLTE-CQSZACIVSA-N 396.865 4.520 0 50 GJAA COc1cccc(C)c1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 195055577 OPOUBIVOSOCXPC-HNNXBMFYSA-N 385.533 4.750 0 50 GJAA C[C@@H](Oc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 238856328 VMZODJSVBNIWIK-CYBMUJFWSA-N 392.293 5.936 0 50 GJAA CCN1CCN(Cc2cc(C)cc(CN(C)[C@H](C)c3cccs3)c2C)CC1 952864697 LCARMMZZIWXNOT-HXUWFJFHSA-N 385.621 4.695 0 50 GJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cccc(Oc4ccccc4)c3)C[C@H]2C1 1529191883 HWURZYQPARAGJW-FXELSEDVSA-N 378.516 4.670 0 50 GJAA O[C@@H](CNC1CC2(CC(COCc3ccccc3)C2)C1)Cc1cccc(Cl)c1 1875320663 UKQWBFRVDPKCDP-WFQORGDCSA-N 399.962 4.609 0 50 GJAA COc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 685734 QXPWJRKJJSIODT-UHFFFAOYSA-N 393.283 4.994 0 50 GJAA CCOc1ccc(NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)cc1 1069239 JHHLRATUJZMSBY-UHFFFAOYSA-N 383.879 4.853 0 50 GJAA COc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3c3ccccc23)cc1 2356034 GHJAVZKBOJMEHR-UHFFFAOYSA-N 382.423 4.629 0 50 GJAA CC(C)=CCN1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1 12453948 PDOXDKNXCBQQSC-UHFFFAOYSA-N 378.495 4.764 0 50 GJAA CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O 43152620 JFUAWXPBHXKZGA-IBGZPJMESA-N 396.384 4.611 0 50 GJAA O=C(Nc1ccc(-c2ccccc2)cn1)C1(c2ccc(F)cc2F)CCOCC1 123908632 JCWJSMMFNWQVHR-UHFFFAOYSA-N 394.421 4.714 0 50 GJAA CCc1cccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 169759745 SEDHTPLWVVICMW-HXUWFJFHSA-N 381.863 4.623 0 50 GJAA COc1ccc(C)nc1-c1cccc(C(=O)N2CCCC[C@H]2c2cccnc2)c1 299800282 XMXFUZWZZQOFQZ-NRFANRHFSA-N 387.483 4.828 0 50 GJAA O[C@@H]1CCC[C@@]12CCCN(Cc1cn(-c3ccccc3)nc1-c1cccs1)C2 1704339800 OIBAXQMECUHARO-GGAORHGYSA-N 393.556 4.728 0 50 GJAA FC(F)(F)c1ccnc(Nc2ccc(CN[C@@H]3CCCn4nccc43)cc2)c1 2325756266 QHRAOIGGKXBGON-QGZVFWFLSA-N 387.409 4.665 0 50 GJAA N[C@H]1CCCc2cc(-c3nc(-c4cc(F)cc(Br)c4)no3)ccc21 2325822005 WAZQXURUPFZUSR-INIZCTEOSA-N 388.240 4.641 0 50 GJAA Cc1cccc([C@H](C)NC[C@@H](CO)Cc2cccc(Br)c2C)c1C 2325842274 SVZZYJOXUSBEGA-ROUUACIJSA-N 390.365 4.876 0 50 GJAA CCC(=O)n1nc(NCc2ccc(CC)cc2)nc1NCc1ccc(CC)cc1 1070653 OPCJSGGUOZPRQB-UHFFFAOYSA-N 391.519 4.677 0 50 GJAA O=C(CCSc1nc2ccccc2o1)Nc1ccc(Br)cc1 1174992 XKZACQHNEQHTNG-UHFFFAOYSA-N 377.263 4.711 0 50 GJAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cncc(Br)c1 2655835 GXWPWMQQYLWQDV-UHFFFAOYSA-N 379.563 4.769 0 50 GJAA CC(=O)Nc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2983297 AJVASYKZPGNRRV-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA CSc1ccccc1C(=O)N(C)[C@@H]1CCCN(CCCc2ccccc2)C1 12570251 LDNYKKMZIQRADR-HXUWFJFHSA-N 382.573 4.578 0 50 GJAA O=C(c1ccc2oc(-c3cccc(F)c3)nc2c1)N1CCOc2ccccc2C1 14976315 SZCFDROFCWACDX-UHFFFAOYSA-N 388.398 4.669 0 50 GJAA COc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 14986010 NWZSXSZTXQKWJY-SFHVURJKSA-N 379.479 4.912 0 50 GJAA Cc1ccc(-n2cc(CN3CCC(CCO)CC3)c(-c3cccc(C)c3)n2)cc1 72463151 UUJVBINTWBUKFO-UHFFFAOYSA-N 389.543 4.751 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc23)on1 95358834 ZYWLQFGVMCNLAB-NRFANRHFSA-N 384.439 4.571 0 50 GJAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1cccc2c(-c3ccccc3)ccnc12 100082102 BCTYQXILTCOHBZ-MOPGFXCFSA-N 388.854 4.924 0 50 GJAA Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1c(C)cccc1C 177794910 RUSPQHBHDXGEAW-GOSISDBHSA-N 391.475 4.652 0 50 GJAA O=C(O)CCCOc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 238024095 JAYQWYPRDSQEDV-UHFFFAOYSA-N 389.451 4.773 0 50 GJAA CCn1cc(-c2cccc(C(=O)N(C)Cc3cccc(SC)c3)c2)c(C)n1 534646514 VUBWMRXKDIQVPG-UHFFFAOYSA-N 379.529 4.873 0 50 GJAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 736116013 DMFFXBAXDGTVKS-YAPKBZITSA-N 389.495 4.934 0 50 GJAA Cc1ccc2[nH]c(-c3nc(-c4nc[nH]n4)nn3C3CCC(C)(C)CC3)c(C)c2c1 1875347991 DXCGPIPHBUTTDK-UHFFFAOYSA-N 389.507 4.970 0 50 GJAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 2100483207 AJXDUTOTCPZPLL-AWEZNQCLSA-N 381.501 4.540 0 50 GJAA COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O 860752 QPOSHVSRJBAGDY-QHCPKHFHSA-N 397.434 4.541 0 50 GJAA O=C(Nc1nnc(CCc2ccccc2)s1)c1cc(Cl)ccc1Cl 1114753 RZNPVNRTROZHFB-UHFFFAOYSA-N 378.284 4.882 0 50 GJAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 1215901 ZHZCYMVYGBNZHE-UHFFFAOYSA-N 392.455 4.847 0 50 GJAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 4512668 CJFFNROSJOJWEK-UHFFFAOYSA-N 379.504 4.690 0 50 GJAA Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccc(C(C)C)cc1 8022433 WCTGLNUPQLYZFK-UHFFFAOYSA-N 388.393 4.970 0 50 GJAA COc1cccc(CC2(CO)CCN(C/C(Cl)=C/c3ccccc3)CC2)c1 15074286 DLGINWKPUKKXRL-STZFKDTASA-N 385.935 4.592 0 50 GJAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C1CCOCC1 15074537 SEFKAVVHQHPJLH-UHFFFAOYSA-N 397.469 4.737 0 50 GJAA COc1ccc(CN(C)Cc2nc(-c3ccc(C)o3)oc2C)c2cccnc12 15077891 UFPVDJFGIUUSGH-UHFFFAOYSA-N 377.444 4.740 0 50 GJAA Cc1ccc2c(C)c(C(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)oc2c1 15080734 ZUXVFAKOEJPTIR-SFHVURJKSA-N 380.463 4.583 0 50 GJAA Cc1ccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc2c1 19848305 ULKFHUCKRINUEZ-JWGURIENSA-N 397.478 4.878 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 19907555 FVIOPIYHDSQBJN-UHFFFAOYSA-N 384.523 4.553 0 50 GJAA CN(C)[C@H](Cn1cnc(-c2ccccc2)c1-c1ccc(O)cc1)c1ccccn1 65395081 GCGBTTIDUDBXHG-JOCHJYFZSA-N 384.483 4.621 0 50 GJAA Cc1ncsc1CCCNC(=O)c1ccc2oc(Cc3ccccc3)nc2c1 67880828 QZACLQXUVFXZPH-UHFFFAOYSA-N 391.496 4.546 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71754736 AIRRGXKFMUKZLQ-INIZCTEOSA-N 395.453 4.840 0 50 GJAA Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCCCCCCC(=O)O 170593220 MQWKLNDATNYMEK-UHFFFAOYSA-N 384.307 4.612 0 50 GJAA CCc1ccc(CN2CCc3c(C(=O)N4CCC(C)(C)[C@H]4C)csc3C2)nc1 426711323 MSYVAKLXVWRHAE-MRXNPFEDSA-N 397.588 4.524 0 50 GJAA Cc1cccc([C@H](C)NC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1C 1311945756 PFGDNDFSZXXHLU-IBGZPJMESA-N 394.515 4.518 0 50 GJAA c1ccc2c(OCCCc3noc(C[C@@H]4CCC5(CCC5)O4)n3)cccc2c1 1776003531 VYBGCSPXWKSSBF-SFHVURJKSA-N 378.472 4.879 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@H](C)[C@@H]5[C@@]4(C)CC[C@H]32)C1 1857526137 OWDSQNAIMXYQHD-FYMICBELSA-N 386.532 4.669 0 50 GJAA COc1ccnc(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c1F 1875342893 MCDUKVVNVYXGCM-UHFFFAOYSA-N 389.386 4.822 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1cccs1 1023642 VOZXUJODHSDQIZ-UHFFFAOYSA-N 391.521 4.895 0 50 GJAA O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2C12OCCCCO2 1060398 NVCWEIYMYWQUDD-UHFFFAOYSA-N 378.255 4.520 0 50 GJAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 1163740 SCKRBSLWIBSSII-UHFFFAOYSA-N 391.298 4.793 0 50 GJAA CCC[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 1200898 QTVOHGXLOBFTTJ-LBPRGKRZSA-N 390.936 4.587 0 50 GJAA Cc1nc(N2CCC(N[C@H]3CCCc4ccccc43)CC2)nc2ccc(F)cc12 11967950 FKBOBWNHVKBYLI-QFIPXVFZSA-N 390.506 4.713 0 50 GJAA Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1 12386205 XPPNRGQFMOVHDO-FQEVSTJZSA-N 391.540 4.969 0 50 GJAA Cc1cccc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1 20899914 UMWREGRLYIXAFZ-SFHVURJKSA-N 396.441 4.830 0 50 GJAA Cc1sc2nc(-c3cncn3C)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl 119816847 CNFXCVZXYBYGGB-UHFFFAOYSA-N 391.283 4.667 0 50 GJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CC)Cc1ccccc1 231424687 BXLBYIMZPNZMCM-UHFFFAOYSA-N 375.534 4.728 0 50 GJAA C[C@H](O)c1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(-c3ccncc3)c2)cc1 377905993 NYBREAJYTPDBGJ-ROUUACIJSA-N 389.499 4.705 0 50 GJAA CCc1c(NC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)cnn1C1CCCC1 1875396125 WFLAFCRWERWCCL-YTJPUZGESA-N 395.551 4.644 0 50 GJAA Cc1nc(CNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)c2ccccn12 2325749075 AJVBCPOIONRHIR-UHFFFAOYSA-N 399.281 4.875 0 50 GJAA Cc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 626090 FQPQBSSHISFOLT-UHFFFAOYSA-N 399.082 4.538 0 50 GJAA Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1=NCCS1 2762422 LBIUTMZVHPVWSN-UHFFFAOYSA-N 381.888 4.696 0 50 GJAA O=c1oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc2c2c1CCCC2 4755013 JXNWDPJVYGQLFP-UHFFFAOYSA-N 384.815 4.633 0 50 GJAA Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3C)c3cccc(C)c3n2)cc1C 6789525 MUNSWQMXAVYHIF-UHFFFAOYSA-N 398.510 4.799 0 50 GJAA O=C(c1ccncc1)N(Cc1ccc(OCCc2ccc(F)cc2)cc1)C1CC1 11786430 LJZADPQTZYPBMV-UHFFFAOYSA-N 390.458 4.647 0 50 GJAA COc1ccc2ccccc2c1CN1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11934677 UOBFREPWEUFOEV-VWLOTQADSA-N 393.502 4.805 0 50 GJAA COCc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1 12079797 CNNSXPHFMYEGRD-UHFFFAOYSA-N 387.479 4.917 0 50 GJAA O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 20603409 DYHCRAWYMKGPCS-UHFFFAOYSA-N 381.379 4.848 0 50 GJAA CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cn1 20604835 KGTMTTOSVQQRBX-UHFFFAOYSA-N 389.356 4.770 0 50 GJAA Cc1nn2c(ncc3c(=O)n(C4CCCC4)ccc32)c1-c1ccc(Cl)cc1 40397615 PXZNEGDHQBGOCP-UHFFFAOYSA-N 378.863 4.788 0 50 GJAA Nc1cc(C2(c3ccc(O)c(N)c3)c3ccccc3-c3ccccc32)ccc1O 44069236 NLGOBIIKXFNGQR-UHFFFAOYSA-N 380.447 4.625 0 50 GJAA in-vitro CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC(C)(C)C3)c2C)cn1 63856463 AVDXQPURGWXDBD-UHFFFAOYSA-N 376.504 4.607 0 50 GJAA COc1cc(C)ccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67773937 ZFOIAAQVHAWHTO-GOSISDBHSA-N 380.271 4.524 0 50 GJAA C[C@H](NCc1c[nH]nc1-c1ccccc1F)c1nc(-c2ccncc2)cs1 152216715 COLNMGQEGQKJRH-ZDUSSCGKSA-N 379.464 4.585 0 50 GJAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c2cccc(C)c2n1 216496430 FHEWVBJNNGLKKT-GOSISDBHSA-N 376.504 4.649 0 50 GJAA COc1cccc([C@H](C)N(C)C(=O)c2cccc(-c3nccn3C(C)C)c2)c1 299793703 IGKBKQGYBAHQNV-KRWDZBQOSA-N 377.488 4.973 0 50 GJAA CCc1nsc(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)n1 301957773 NUTPYHIQCAGPCH-UHFFFAOYSA-N 377.473 4.757 0 50 GJAA Brc1cccc(C2(CN[C@@H](c3ccccc3)c3ncc[nH]3)CC2)c1 446822282 VXJCNELTKXBHFY-SFHVURJKSA-N 382.305 4.583 0 50 GJAA CCCOc1ccc(CN[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)c1 494975667 OTBCYQRQWBJACO-HSZRJFAPSA-N 394.559 4.862 0 50 GJAA COc1ccc(-c2nsc(NC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)n2)cc1 1775974990 AMVHZZCJMOXLJM-WCQYABFASA-N 398.315 4.743 0 50 GJAA Cc1c(C(=O)NCc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1 651019 KEHQSGVDLMQFOR-UHFFFAOYSA-N 385.442 4.917 0 50 GJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1 1073810 QLCWGMZXIKYQFR-UHFFFAOYSA-N 385.442 4.717 0 50 GJAA CC(C)(C)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(Br)c1 1114101 DXTBJQINKSXDQG-UHFFFAOYSA-N 394.284 4.581 0 50 GJAA Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1C 1139902 PMICLFDUMRDEHE-UHFFFAOYSA-N 380.517 4.540 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Br 1159479 NQQPSNKOXDFKHT-UHFFFAOYSA-N 386.648 4.876 0 50 GJAA Cc1cc(Cl)c(OCCOCCN2CCC[C@H](C)C2)c(Br)c1 2824083 FERNBCFSUGMRRK-ZDUSSCGKSA-N 390.749 4.538 0 50 GJAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2848281 IHJBPIAYFWKQNI-QGZVFWFLSA-N 377.440 4.680 0 50 GJAA COc1ccc(N2C(=O)C[C@@H](c3c(-c4ccccc4)cc4ccccn34)C2=O)cc1 4838115 XSUNDQJWOQVRIH-QFIPXVFZSA-N 396.446 4.662 0 50 GJAA Cc1ccc(Nc2c3c(nc4nc(-c5cccs5)nn24)CCCC3)cc1F 8611313 YEVQHDKZPMYNEH-UHFFFAOYSA-N 379.464 4.923 0 50 GJAA Cc1ccoc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 11844165 YPYXDFZIZODHKB-DEOSSOPVSA-N 380.532 4.840 0 50 GJAA O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12)N1CCCC1 13641354 SGZZMJLYVRBFDY-UHFFFAOYSA-N 375.453 4.854 0 50 GJAA COc1ccc(CC2(CO)CCN(Cc3c(C)[nH]c4ccc(C)cc34)CC2)cc1 20995928 CEZKRYPUYODFLJ-UHFFFAOYSA-N 392.543 4.611 0 50 GJAA CC(C)n1cnnc1[C@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 136057080 XUNCILUTABRLGH-INIZCTEOSA-N 385.899 4.547 0 50 GJAA COc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)cc2)c1 252570849 XKOAZCZVZOPDJU-UHFFFAOYSA-N 392.459 4.622 0 50 GJAA CCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 408512959 NNWNXLHNWCUKMW-UHFFFAOYSA-N 382.895 4.744 0 50 GJAA CCC[C@H]1CCCN1C(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 426497336 YKLYVZTVHKDXAB-IBGZPJMESA-N 397.588 4.669 0 50 GJAA CC(=O)c1ccc(F)cc1-c1ccc(C(=O)NCCCOC2CCCC2)cc1 426523523 ORDMCVFMONRXLU-UHFFFAOYSA-N 383.463 4.774 0 50 GJAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2c(O)cccc21 469217150 DWMBQKIXYKIXEH-DAXOMENPSA-N 391.389 4.935 0 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COc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 20604315 AMSBPYNHCFSKIR-UHFFFAOYSA-N 395.406 4.729 0 50 GJAA CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ncc[nH]2)c1 65406833 DNHUYOUGMRHPAC-UHFFFAOYSA-N 383.835 4.548 0 50 GJAA CC[C@H](C)CCCNc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 248246078 GYPJYMHDVRVNNV-ZJIFWQFVSA-N 398.642 4.809 0 50 GJAA O=C1CCc2cc(F)c(NC(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)cc2N1 481622569 GDEIONSFXDEYKH-CQSZACIVSA-N 399.441 4.651 0 50 GJAA O=C(c1cncs1)N1CCC[C@H]1c1ncc(-c2ccccc2C(F)(F)F)[nH]1 888096685 IJLVNZCIVBTRKX-AWEZNQCLSA-N 392.406 4.529 0 50 GJAA CSc1ccc2c(C)cc(N3CCC[C@@H](CNC(=O)c4ccoc4)C3)nc2c1 952977063 WPTHHPOYRMNCFW-INIZCTEOSA-N 395.528 4.505 0 50 GJAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccs1 939372 SHHAEKNLWVAXKE-UHFFFAOYSA-N 387.482 4.914 0 50 GJAA O=S(=O)(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 1163283 NFKWKQXJSFIYNN-UHFFFAOYSA-N 384.844 4.949 0 50 GJAA O=C(Nc1ccc(I)cc1Cl)c1cccc(Cl)c1 1217826 SAFVKIKIGHBUAT-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA O=C(CSc1nccc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl 2730928 XVGCYWOOKIGNNV-UHFFFAOYSA-N 382.194 4.533 0 50 GJAA Cc1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1-c1ccccc1 2761827 RTXCEUHHGQXYIC-UHFFFAOYSA-N 380.469 4.936 0 50 GJAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 2979868 AUWPZZJFYKXWIV-UHFFFAOYSA-N 391.334 4.919 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3cnn(C)c3)c(-c3ccccc3)n2)c1 11759568 ULMWZECYUYJDHF-UHFFFAOYSA-N 385.515 4.522 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cscn2)C1 12430793 HIMFRIDNGSVVAR-IBGZPJMESA-N 376.481 4.545 0 50 GJAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 12442808 BLEBOXITSNUPCJ-KRWDZBQOSA-N 384.451 4.740 0 50 GJAA COCc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)s1 14956356 PYQSIVFRZAZMRX-IBGZPJMESA-N 393.508 4.783 0 50 GJAA Cc1cc(C)cc(CCC(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)c1 14965557 IZMYMKUBVMNCRB-AREMUKBSSA-N 393.571 4.860 0 50 GJAA COc1cccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)c1 22135305 MVNVYRWEGUYUQS-QHCPKHFHSA-N 381.435 4.835 0 50 GJAA CN1CCC[C@H]1CCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67895589 LPECZXYVYYKVCQ-QFIPXVFZSA-N 387.527 4.851 0 50 GJAA Cc1cccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1C 169759750 ZMGAAAKGJSYENB-FQEVSTJZSA-N 381.863 4.677 0 50 GJAA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@H]2C1 239309532 HQPNSBBYHKECIY-COXVUDFISA-N 396.874 4.518 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)NCCSC(C)(C)C)cn1 299786801 PPRLLKZICUHAFJ-UHFFFAOYSA-N 375.494 4.536 0 50 GJAA CCc1c(C)nc(C)nc1-c1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 584898763 RQKMROAJEAIFKC-UHFFFAOYSA-N 377.463 4.734 0 50 GJAA Cc1sc(C(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)cc1-c1ccc(F)cc1 1875338942 QSXYRXZYFUMCEP-HOCLYGCPSA-N 375.465 4.626 0 50 GJAA CCOc1cccc2sc(NC(=O)c3ccc(Br)cc3)nc12 1195112 MKFGYBLHTOHTAI-UHFFFAOYSA-N 377.263 4.710 0 50 GJAA Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 2198935 ZBGDDZZNEXOKPU-MRXNPFEDSA-N 391.858 4.603 0 50 GJAA CCOc1ccc(OCc2ccc(C(=O)NCc3ccc(Cl)cc3)o2)cc1 2750564 PWPRAOQJHIMCGZ-UHFFFAOYSA-N 385.847 4.841 0 50 GJAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@H](C(=O)CC(C)C)C1 12431233 JXNOILKXETYPOI-HNNXBMFYSA-N 376.447 4.755 0 50 GJAA CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3C)nnc2c1-c1ccccc1 13610802 HIHJWUIRCPJPPZ-UHFFFAOYSA-N 385.471 4.531 0 50 GJAA CCc1ccc2nc(-c3cnn(CC)c3)cc(C(=O)N3CCC(C)(C)C3)c2c1 63835714 ULDQVZLSPTWCOV-UHFFFAOYSA-N 376.504 4.553 0 50 GJAA CCCn1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3ccc(C)c(C)c3n2)cn1 63871641 JFRDWYMBFVPCTR-MRXNPFEDSA-N 376.504 4.750 0 50 GJAA CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 67712709 FEFCBSRMPSCWIS-UHFFFAOYSA-N 396.903 4.774 0 50 GJAA O=C(OCCOC(c1ccccc1)c1ccccc1)c1c(F)cc(O)cc1F 746987369 QJGBIPHGQQKYCF-UHFFFAOYSA-N 384.378 4.633 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)c2)o1 1506414705 STYHSWZYWQAWQB-OAQYLSRUSA-N 381.497 4.902 0 50 GJAA c1cncc(CN2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)c1 1857695796 YISBIMSWVLVFIN-DEOSSOPVSA-N 393.575 4.544 0 50 GJAA Cc1cccc(-c2ccc(NS(=O)(=O)c3cc(C)c(C(=O)O)s3)cc2)c1 1875323454 JFOIQIJRCUNVQB-UHFFFAOYSA-N 387.482 4.531 0 50 GJAA c1ccc(-c2nc(NCc3ccccc3-c3ncc[nH]3)c3ccsc3n2)nc1 1875339487 LWUVGMIHUDJQPQ-UHFFFAOYSA-N 384.468 4.756 0 50 GJAA CCOc1cc(CNCc2ccc3ccoc3c2)cc(Br)c1OC 2325725426 DNDAIYWCHCYMAQ-UHFFFAOYSA-N 390.277 4.892 0 50 GJAA Cc1ccc(NC(=O)NCc2ccccc2)cc1NC(=O)NCc1ccccc1 640617 XJWHXWLCSJCVPT-UHFFFAOYSA-N 388.471 4.638 0 50 GJAA Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 1146368 YWVLAEYHFRLVLV-RCCKNPSSSA-N 384.435 4.671 0 50 GJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(F)cc1 2919723 KIABBAIXJWSOCM-UHFFFAOYSA-N 382.247 4.827 0 50 GJAA COc1ccc(/C=C/CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1 12019881 KETQGNPDHAUPMQ-YVRWJWEHSA-N 385.935 4.679 0 50 GJAA Cc1cc(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)on1 12431959 XDKNZYRLYYFKCO-IBGZPJMESA-N 384.863 4.523 0 50 GJAA O=C(CCC(F)(F)F)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 14967421 PHMJARJGAVYBEL-ZDUSSCGKSA-N 389.826 4.831 0 50 GJAA CCCc1ccc([C@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C(C)C)cc1 140215964 CELBCKMNKKTKQK-HXUWFJFHSA-N 384.524 4.617 0 50 GJAA CCOc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 248380689 QWVJZHKGDWWDDA-JLHGSKIFSA-N 384.495 4.627 0 50 GJAA Cc1cc(F)ccc1CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 485886243 AGLQWSBUBASWSG-IRXDYDNUSA-N 381.369 4.795 0 50 GJAA CC(C)c1ncc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704307487 HNCJYZSXSMWEBB-VWLOTQADSA-N 399.542 4.537 0 50 GJAA CC(C)Cc1noc([C@H]2CCCN(c3nc(-c4ccc(F)cc4)cs3)C2)n1 1704315984 HUKDAUFBPWUXDW-HNNXBMFYSA-N 386.496 4.915 0 50 GJAA CCOc1cccc(-c2nc(-c3cnc4cc(C)ccn34)n(CC3CCC3)n2)c1 1875347589 QLCDJQHFBHPNIG-UHFFFAOYSA-N 387.487 4.767 0 50 GJAA CC(C)c1ccc(C(=O)N2CCCc3sc(Br)cc3C2)c(O)c1 2325853154 FRLLGFKGYNEKHK-UHFFFAOYSA-N 394.334 4.928 0 50 GJAA CCOc1ccccc1C(=O)Nc1scc(-c2cccs2)c1C(=O)OC 669103 ZXTXFUOFVZMDGH-UHFFFAOYSA-N 387.482 4.914 0 50 GJAA Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919431 RGJIBVUOHKDOLN-CZUORRHYSA-N 390.365 4.697 0 50 GJAA C[C@H]1CCc2c(sc3ncnc(SCC(=O)OC4CCCCC4)c23)C1 952365 UGIBVPWNHXWULD-LBPRGKRZSA-N 376.547 4.784 0 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Cc1nc(C(C)C)sc1C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1 91412503 UYUDUFUFSUPBKF-UHFFFAOYSA-N 382.533 4.779 0 50 GJAA CCn1ccnc1C1CCN(C(=O)c2ccc(-c3ccccc3OC)cc2)CC1 95515320 LQDMYVSHOJCOBY-UHFFFAOYSA-N 389.499 4.598 0 50 GJAA Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c(C)c1 169755241 CBBBOYPRWOYJTG-ZDUSSCGKSA-N 385.826 4.666 0 50 GJAA COc1ccc2c(ccn2CCC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c1 409414023 ZUIGJLRQNWMZAY-NRFANRHFSA-N 387.483 4.715 0 50 GJAA Cc1cc(F)ccc1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 485886244 AGLQWSBUBASWSG-SJORKVTESA-N 381.369 4.795 0 50 GJAA C[C@H](CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nccs1 754736961 VVMSVGBMAHNYMC-MRXNPFEDSA-N 388.496 4.529 0 50 GJAA COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1506400055 SOMLIZCUVZHCPR-OAHLLOKOSA-N 387.789 4.605 0 50 GJAA c1ccc(-c2nccn2C2CCOCC2)c(OCCCCN2CCCCC2)c1 1857710584 FTNLQKSAWNLWCF-UHFFFAOYSA-N 383.536 4.547 0 50 GJAA CCC(CC)(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1 1857775549 OQLUHXFWGUDHNB-CZYKHXBRSA-N 386.495 4.982 0 50 GJAA COc1ccc(-c2cc(=O)oc3cc(OC(=O)C4CCCCC4)ccc23)cc1 1144406 IHGUUKZJLMPTSU-UHFFFAOYSA-N 378.424 4.954 0 50 GJAA biogenic O=C(COc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 1215715 AQIBHYGBVGTLHJ-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccco1 2387673 QPQKIKXUOHRYIF-UHFFFAOYSA-N 390.896 4.559 0 50 GJAA O=C(NCCOc1c(F)c(F)c(F)c(F)c1F)Nc1cccc2ccccc12 4694594 ANKOVPUACIWSDJ-UHFFFAOYSA-N 396.315 4.736 0 50 GJAA O=C(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 5750285 ZZHAINUKVRVYIQ-UHFFFAOYSA-N 389.898 4.816 0 50 GJAA Cc1ccc(N[C@@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)cc1C 11820910 KYVIQYVUBMTTKK-OAQYLSRUSA-N 382.479 4.509 0 50 GJAA O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)Nc1ccccc1Cl 12053856 XSNMNLNELSFZEX-UHFFFAOYSA-N 382.935 4.938 0 50 GJAA CN(Cc1cccnc1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12305886 JSBQNCGXBIBOFZ-UHFFFAOYSA-N 391.858 4.739 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(Cc4ccccn4)C3)c2)c1 12431556 WPRVPLWIYMDIIC-QFIPXVFZSA-N 385.511 4.908 0 50 GJAA O=C(Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2)c1ccccc1Cl 12710215 LNVZDKFFNMCJAE-UHFFFAOYSA-N 380.875 4.587 0 50 GJAA Fc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)cc1F 12713635 WBSWKRWKBYZAIO-NRFANRHFSA-N 392.534 4.600 0 50 GJAA COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)c1ccco1)C2 15003192 MAOCCHCIHLQVKD-UHFFFAOYSA-N 395.480 4.712 0 50 GJAA CC(=O)Nc1ccnn1C1CCN(Cc2ccc(C3CCCCC3)s2)CC1 15064881 SSBAVKRHIHOYPB-UHFFFAOYSA-N 386.565 4.788 0 50 GJAA O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 28296181 LVNQTQMMTAURPE-FQEVSTJZSA-N 395.890 4.562 0 50 GJAA Cc1nc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cs1 76949858 KYAOIPZRQZBXJK-UHFFFAOYSA-N 395.459 4.595 0 50 GJAA O=C1CCC2(CCN(Cc3cc(F)ccc3Cl)CC2)CN1C1CCCC1 91656212 RDAHHRDKCDCXCI-UHFFFAOYSA-N 378.919 4.626 0 50 GJAA CCc1ccc(CN(C)C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)nc1 96162168 QZMOSYMAGIUXGA-SFHVURJKSA-N 380.536 4.682 0 50 GJAA Cc1c(NC(=O)c2sccc2Br)cnn1-c1cccc(Cl)c1 151961289 KCIHRYKUHSNSQA-UHFFFAOYSA-N 396.697 4.910 0 50 GJAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170638227 LNXHTOWHCPROHB-UPJWGTAASA-N 396.331 4.659 0 50 GJAA CC1(C)CC(NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)CC(C)(C)N1 253395958 ARSOVFYJXMHHKV-IBGZPJMESA-N 387.955 4.546 0 50 GJAA CCC[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 426505652 FLUSPGMYQSZYRX-GOSISDBHSA-N 375.415 4.596 0 50 GJAA CC(C)(c1ccc(NC(=O)N2CCc3c(N)cccc3C2)cc1)C(F)(F)F 2325773134 WGVMBSZDZMYAQZ-UHFFFAOYSA-N 377.410 4.699 0 50 GJAA Cc1ccc(Cn2cc(C(=O)N3CCc4cc(Cl)ccc4[C@@H]3C)cn2)cc1 2325827326 BWQOKECTSFDWSC-INIZCTEOSA-N 379.891 4.653 0 50 GJAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2ccccc2c1 802443 XTTBDRVILKZRIU-UHFFFAOYSA-N 375.453 4.544 0 50 GJAA CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)CSc3ccccc3)cc12 1107104 ALQSVSOEKSVXKT-UHFFFAOYSA-N 397.496 4.844 0 50 GJAA CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 1160748 HQKNYPDUWNTHGE-UHFFFAOYSA-N 384.435 4.610 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@@H](C(C)(C)C)C2 1173644 UKNJKRGPPDGDRR-CQSZACIVSA-N 386.517 4.723 0 50 GJAA Cc1ccc(NC(=O)C[C@@H](C(=O)O)[C@H](C)c2ccccc2)cc1Br 1427161 NSJSFJIQHVKZSR-CZUORRHYSA-N 390.277 4.591 0 50 GJAA O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1C(F)(F)F 2241282 JIGAIZYKMSARGZ-UHFFFAOYSA-N 395.768 4.980 0 50 GJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2886817 QKTVILYRHZYFMF-HZPDHXFCSA-N 384.907 4.924 0 50 GJAA O=[S@](Cc1ccccc1)/C(=C/NC(=S)Nc1ccccc1)c1ccccc1 5582176 XKXNSSGXGWFECQ-BHAFLUAZSA-N 392.549 4.921 0 50 GJAA Cc1ccc(NC(=O)Nc2nnc(COc3cccc(C)c3C)s2)cc1C 9300380 VXMIMXVKGRLJAC-UHFFFAOYSA-N 382.489 4.995 0 50 GJAA Cc1cc(C)cc(NC(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1 12753046 LLIDFAGAXHPHHU-OAQYLSRUSA-N 397.538 4.861 0 50 GJAA CCOc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1O 15074383 XKVRYXGQUJQGQB-QGZVFWFLSA-N 385.529 4.608 0 50 GJAA CCOC(=O)c1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 15442871 BPPNSALLNZWKDR-UHFFFAOYSA-N 385.261 4.538 0 50 GJAA CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(Br)cn1 119705090 DGGUGKCMWSHRNC-UHFFFAOYSA-N 389.224 4.910 0 50 GJAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]12C 257348583 HDLRFHJYLSKLMU-BASDZHIWSA-N 376.537 4.545 0 50 GJAA Cc1ccc2c(C)c(C(=O)Nc3cccc(Cl)c3N3CCOCC3)oc2c1 334161874 GQRMCWXDEQXWKK-UHFFFAOYSA-N 384.863 4.792 0 50 GJAA COc1ccc(Cc2c(Cl)nc(SC)[nH]c2=Nc2ccccc2C)cc1 1875391031 HSSKKEUOPSOKDJ-UHFFFAOYSA-N 385.920 4.925 0 50 GJAA C[C@H](Cc1ccc(Cl)s1)N=c1[nH]c(-c2ccccn2)nc2ccccc12 2325852766 RXINQGPXTSHMQM-CYBMUJFWSA-N 380.904 4.872 0 50 GJAA CCCc1cc(C(=O)OCC)c(NC(=O)c2ccc(OC(C)C)cc2)s1 680051 HAUSPWPHDGJDDH-UHFFFAOYSA-N 375.490 4.917 0 50 GJAA O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)n1nnc2ccccc21 1100058 RBEZZLHZZFRSKL-UHFFFAOYSA-N 384.826 4.988 0 50 GJAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 1145796 NKKCAVQIXNROOF-UHFFFAOYSA-N 378.859 4.702 0 50 GJAA CCn1c(SCc2ccccc2Br)nnc1-c1ccc(N)cc1 2836144 SYPUKUOVIXTWME-UHFFFAOYSA-N 389.322 4.602 0 50 GJAA COc1ccccc1NC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 4826161 UALRITMGZXYBPS-UHFFFAOYSA-N 399.903 4.845 0 50 GJAA COc1ccc(N2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 5019175 ZMJXVKVYSRESLY-XNTDXEJSSA-N 390.258 4.699 0 50 GJAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccco2)C1 8914836 XFJJLYUAPRNUJS-KRWDZBQOSA-N 389.842 4.880 0 50 GJAA COc1ccc([C@@H](CC(=O)N(C)Cc2csc(C)n2)c2ccccc2)cc1 11841421 UXNSECMLLQRPEX-NRFANRHFSA-N 380.513 4.641 0 50 GJAA O=C(CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 12195021 ZKWVHUDJPUOCQD-NRFANRHFSA-N 376.544 4.968 0 50 GJAA Cc1ccc(C(=O)N2CCC(n3c([C@H]4CCCO4)nc4ccccc43)CC2)s1 14995727 ZHNXOZQCBQUULT-LJQANCHMSA-N 395.528 4.735 0 50 GJAA COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 15224461 IDQRZPRKUAXDQE-XMSQKQJNSA-N 390.464 4.509 0 50 GJAA COc1cc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)ccc1F 20781959 BTDDYHATGLCJBW-LJQANCHMSA-N 379.479 4.912 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc2sc(N)nc12 71752652 PSVOGWQFINFUIA-MRXNPFEDSA-N 397.519 4.811 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1 97636673 TZCHODLGVBBWSP-SFHVURJKSA-N 379.464 4.661 0 50 GJAA O=C(NCc1ccc(Cl)cc1Cl)N1CCC([C@H](O)c2cccs2)CC1 825520476 XALDIRMRZVXHTN-KRWDZBQOSA-N 399.343 4.710 0 50 GJAA C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(c2ncco2)CC1 931444966 NHLCCPNBNUPNQH-QGZVFWFLSA-N 375.472 4.868 0 50 GJAA O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@](C(=O)O)(C2CCC2)C1 1772717202 GDOTXDCHVOTZLR-DEOSSOPVSA-N 391.467 4.512 0 50 GJAA Cc1cc(F)c(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1 1875268647 XLVSKIKCRMKZND-UHFFFAOYSA-N 386.858 4.623 0 50 GJAA Cc1cc(/C=C/C(=O)NCCCCc2nc(-c3cccnc3)cs2)ccc1F 2325706652 OJCRCGZYOBVRQT-CSKARUKUSA-N 395.503 4.805 0 50 GJAA CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc(C)c1C 622560 YONGGHGDZFTBGO-UHFFFAOYSA-N 389.517 4.991 0 50 GJAA O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1ccco1 631505 DMGCEEBVNYJJJK-GOSISDBHSA-N 389.238 4.637 0 50 GJAA COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 681075 ATAHDIDFSGXVHM-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 830385 MWTMYLNMSBEAMV-GFCCVEGCSA-N 385.769 4.631 0 50 GJAA Cc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1 937517 OLQIMALEUMNICN-UHFFFAOYSA-N 381.482 4.787 0 50 GJAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 939245 MVEAPWNCGYHJNI-UHFFFAOYSA-N 395.673 4.992 0 50 GJAA CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(O)cc1 951944 OENJXCLGTOOGLF-UHFFFAOYSA-N 387.233 4.623 0 50 GJAA COC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 1109034 WWLZBSKZMBNWMW-UHFFFAOYSA-N 384.284 4.652 0 50 GJAA COc1ccc(CCNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 1111944 CGPPSUYSUXPXJD-UHFFFAOYSA-N 386.451 4.784 0 50 GJAA biogenic COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1132373 JZGYWFOHGGIMIF-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 1166595 RXDUKNPOPWCDOU-UHFFFAOYSA-N 380.469 4.580 0 50 GJAA COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 1301049 PMCVYRDIHJGJAR-QFIPXVFZSA-N 386.451 4.788 0 50 GJAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)C1 2736121 NSTQVJHUSUXFQI-DLBZAZTESA-N 384.501 4.813 0 50 GJAA CCc1c(C)sc(NC(=O)COc2ccccc2C)c1C(=O)OC(C)C 2764477 OQAYBVFFVANIJC-UHFFFAOYSA-N 375.490 4.510 0 50 GJAA O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)s1 4788932 CDAQGUXGMDECFV-UHFFFAOYSA-N 377.874 4.575 0 50 GJAA CC(C)c1ccc(-c2noc(SCC(=O)N(C)c3ccc(F)cc3)n2)cc1 8600028 CUBZFEJWCZIFHI-UHFFFAOYSA-N 385.464 4.754 0 50 GJAA CCN(Cc1ccccc1)Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C 11879990 MPXGWJWHTARJBD-UHFFFAOYSA-N 380.488 4.998 0 50 GJAA CC(=O)[C@H]1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1 12385398 SKAQCDRFNBJJAW-KRWDZBQOSA-N 396.874 4.513 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@H](c2[nH]ncc2-c2cccc(C)c2)C1 19840180 YTNBLCJKFIARRJ-IBGZPJMESA-N 391.515 4.782 0 50 GJAA CCC[C@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nccn1C 95525135 WQJJWLYUYFXDCV-SFHVURJKSA-N 384.505 4.968 0 50 GJAA O=C(NCc1ccccc1Oc1ccccc1)c1cnc([C@H]2CCCO2)s1 119987782 OXBSMRYVDCIVHO-GOSISDBHSA-N 380.469 4.717 0 50 GJAA C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc2cc(Cl)ccc2o1 123104471 HZGHBAKTEXEBFR-BONVTDFDSA-N 386.810 4.529 0 50 GJAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)c12 169774022 VJDAHAQUJNQPCI-GOSISDBHSA-N 388.471 4.943 0 50 GJAA Cc1ncc(Cl)c(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)n1 170640120 QQAVNUOJWBUJLL-LJQANCHMSA-N 377.831 4.704 0 50 GJAA Cc1ccc(NC(=O)Nc2cnn(C3CCOCC3)c2C)cc1C(F)(F)F 296458530 VKLZEPMXCPBFOJ-UHFFFAOYSA-N 382.386 4.514 0 50 GJAA COC[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 1468712119 QPWHPZJDXAAUSP-QGZVFWFLSA-N 396.796 4.958 0 50 GJAA CC1CCC(Oc2nccc(Oc3cccc(Oc4cnccn4)c3)n2)CC1 1875334095 XSAPKOBPLHQECF-UHFFFAOYSA-N 378.432 4.809 0 50 GJAA Cc1ccncc1CN(CC1CC1)C(=O)COc1ccc(Cl)cc1Cl 2325822566 BWIKGDBMZBSXEV-UHFFFAOYSA-N 379.287 4.514 0 50 GJAA COC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CC[C@H](C)C2 655667 PSPFCBMCMKMFEL-JTQLQIEISA-N 395.427 4.513 0 50 GJAA CCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)cc(OCC)c1OCC 917712 UFACLJRESPPGHI-UHFFFAOYSA-N 398.503 4.735 0 50 GJAA CCc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O 939631 CNIMTFJWELVLIQ-UHFFFAOYSA-N 394.780 4.704 0 50 GJAA C[C@@H](NC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 1084518 FABYJJXWDNRPJA-CYBMUJFWSA-N 387.555 4.633 0 50 GJAA CCOC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)Sc1nc2ccccc2[nH]1 1183673 FWBGFFRDECQNAW-INIZCTEOSA-N 394.418 4.848 0 50 GJAA O=C1C[C@H](c2ccccc2)c2cccc(N3CCN(c4ccc(F)cc4)CC3)c21 1388208 SGVCBQYTDKLCKT-JOCHJYFZSA-N 386.470 4.871 0 50 GJAA Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4)nc3C2)cc1 2425406 AQQAWODQALHEEF-INIZCTEOSA-N 391.858 4.603 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1nc2ccc(Cl)cc2s1 2835276 CLAVHULSEAYHON-UHFFFAOYSA-N 397.681 4.730 0 50 GJAA O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1ccc2ccccc2c1 4872242 CMLCTQXYJNXCEP-UHFFFAOYSA-N 376.437 4.828 0 50 GJAA Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 5956916 HDLLOYWQXGAMOA-OAHLLOKOSA-N 384.284 4.628 0 50 GJAA CCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1 6721206 AOWSBEDLCDHGLN-UHFFFAOYSA-N 392.528 4.523 0 50 GJAA Cc1nccn1CCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67742196 PAJKLBVZWKWOQF-UHFFFAOYSA-N 397.906 4.502 0 50 GJAA O=C(c1ccc2cccnc2c1O)N1CCC[C@H](CCc2c(F)cccc2F)C1 71765146 ZWYHOEOGNQUMLN-OAHLLOKOSA-N 396.437 4.704 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(c2nccs2)C1 95503387 JMXQTYWNAYERBI-QGZVFWFLSA-N 381.476 4.804 0 50 GJAA C[C@@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 239338709 KZUDQFQQDYTJBX-DVECYGJZSA-N 387.527 4.706 0 50 GJAA Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 263618982 WJIHBRXEQGIERE-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA Cc1nc(CC2CC2)sc1C(=O)N1CCC([C@@H]2C(O)=Nc3ccccc32)CC1 330014071 MSIURRNUEMXWHP-IBGZPJMESA-N 395.528 4.642 0 50 GJAA Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@@]3(C)CC3(F)F)cccc2c1=O 855801735 WCCPUHCDGVPMTP-OAQYLSRUSA-N 383.394 4.544 0 50 GJAA C[C@@H](C1CCOCC1)n1nc(-c2ccoc2)nc1Cc1ccc2cccnc2c1 1875330989 KONKLTSDPYSBBI-INIZCTEOSA-N 388.471 4.665 0 50 GJAA O=C(N[C@H]1CCC2(CC2)C[C@H]1C(=O)O)c1ccc(Oc2cccc(Cl)c2)cc1 1875344949 PNKFEWWFRDDURG-MOPGFXCFSA-N 399.874 4.896 0 50 GJAA c1ccc([C@@H](OCC2CCCC2)c2nc(Cc3cnc(C4CC4)o3)no2)cc1 2325789724 JEJUMZYUECZNAQ-HXUWFJFHSA-N 379.460 4.822 0 50 GJAA c1ccc(CNc2nc(N3CCN(c4ccccc4)CC3)nc3ccccc23)cc1 1162602 RNYAMUCWYNJGMN-UHFFFAOYSA-N 395.510 4.569 0 50 GJAA Cc1ccccc1OCC(=O)NCCSCc1c(Cl)cccc1Cl 2815445 BCCNSTYGSNIZTN-UHFFFAOYSA-N 384.328 4.730 0 50 GJAA CCc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1 2857224 NXNYMXKCTABXPC-UHFFFAOYSA-N 379.241 4.723 0 50 GJAA CCOc1ccc(CC(=O)Nc2scc3c2c(=O)oc2ccccc23)cc1 6656796 BKXYVJWCTASWTM-UHFFFAOYSA-N 379.437 4.588 0 50 GJAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc4oc(C(C)C)nc4c3)C2)c1 11879646 VZGOFLTYSYNDAL-INIZCTEOSA-N 394.471 4.598 0 50 GJAA O=C(NC[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)c1cccs1 12442557 QJEWDVFNQUEAJK-IBGZPJMESA-N 398.572 4.712 0 50 GJAA C[C@H](Cc1ccccc1F)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 12585902 DAGPAPRJWAKRNM-HXUWFJFHSA-N 396.550 4.908 0 50 GJAA O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 20026991 KDAABDYJDGTGCT-UHFFFAOYSA-N 378.422 4.775 0 50 GJAA COc1cc(-c2cccnc2)cc2c1OCCN([C@@H]1CCc3ccccc3C1)C2 20451134 ULAVTHLPGUYXSB-HSZRJFAPSA-N 386.495 4.509 0 50 GJAA CCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)OC(C)(C)C 40564468 MBRIJPVDNOEXMN-UHFFFAOYSA-N 384.226 4.719 0 50 GJAA Cc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)c1 65398644 XETUZFKOQXHGGL-NRFANRHFSA-N 384.483 4.890 0 50 GJAA Cc1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)c2ccc(F)cc2n1 82161967 IXMWYBCWGCXPRB-JOCHJYFZSA-N 389.405 4.736 0 50 GJAA CC(=O)N(c1nc(CN(Cc2ccc(C(C)C)cc2)C2CC2)cs1)C1CC1 114713068 ATTIRHOMDQWOAS-UHFFFAOYSA-N 383.561 4.946 0 50 GJAA O=C(CCCOc1cccc(Cl)c1Cl)N[C@H]1CCCC12CCOCC2 225715866 XVYPHLDBZZVNJT-INIZCTEOSA-N 386.319 4.618 0 50 GJAA CCCCCC[C@@]1(O)[C@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 239297076 DRYQTNXMKBICIH-YWFGMZBWSA-N 393.615 6.826 0 50 GJAA Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1CCC(C)C 263588652 WSBHPJUPQQTXQP-UHFFFAOYSA-N 397.302 4.527 0 50 GJAA COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccccc1C 1875256267 UUVQUXBUNWZHLM-VGSWGCGISA-N 390.483 4.813 0 50 GJAA C[C@H](Cc1ccc(-c2ccccc2)cc1)NCc1cnc(-c2cnccn2)s1 1875256974 DODMSHVPURTOGU-QGZVFWFLSA-N 386.524 4.988 0 50 GJAA Cc1ccc(OCc2cc(C(=O)Nc3nccc(C(F)(F)F)n3)oc2C)cc1 2100540580 MCMBAZNKVZDKMI-UHFFFAOYSA-N 391.349 4.537 0 50 GJAA C[C@@H](C(=O)Nc1ccc(OCCn2ccnc2)cc1)c1ccc2ccccc2c1 2325748679 ISANJLBNNXOQNU-GOSISDBHSA-N 385.467 4.858 0 50 GJAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCCCc3cc(Cl)ccc32)CC1=O 2325820011 XWHLUBNIZOXGMO-VQIMIIECSA-N 396.918 4.619 0 50 GJAA CCc1noc(CCCC(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)n1 2325820210 GNLYXKVDUVQQTN-UHFFFAOYSA-N 396.318 4.543 0 50 GJAA COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 678509 ZTVXKPGIXWHXSF-UHFFFAOYSA-N 376.909 4.773 0 50 GJAA CC[C@H]1CCCCN1C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 815252 PAKCJBSSORQCBF-HNNXBMFYSA-N 384.430 4.739 0 50 GJAA Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccc(Cl)cc1 1156353 ASBDZDXMFAPQRS-UHFFFAOYSA-N 384.935 4.603 0 50 GJAA O=C(COC(=O)c1ccccc1Br)c1ccc(Cl)cc1Cl 1174112 NNSVNHITTYHXKW-UHFFFAOYSA-N 388.044 4.796 0 50 GJAA O=C1C[C@@H](c2cccc(I)c2)c2ccc3ccccc3c2N1 2796115 XCVVUYLDLWXNCR-KRWDZBQOSA-N 399.231 4.919 0 50 GJAA Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1-c1cc2ccccc2oc1=O 2856039 JAJAWCZLUHNFRP-UHFFFAOYSA-N 399.402 4.749 0 50 GJAA COc1ccc(C2(C(=O)NCc3ccc(OC(C)C)cc3)CCCC2)cc1OC 2861896 AEXZEZCZWRJUDN-UHFFFAOYSA-N 397.515 4.619 0 50 GJAA Cc1c(NC(=O)Nc2ccccc2-c2ccccc2)n(C)c(=O)n1-c1ccccc1 4858121 FAPQECQJYFOUMV-UHFFFAOYSA-N 398.466 4.795 0 50 GJAA O=C(CCC(F)(F)F)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 11842719 HVISBMREAKBQES-LJQANCHMSA-N 391.433 4.779 0 50 GJAA OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cc(F)cc(F)c2)CC1 12208505 FHCZAQUNTSLAQY-UHFFFAOYSA-N 399.403 4.801 0 50 GJAA Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 13730441 RXBSUTDVEAKCHS-UHFFFAOYSA-N 392.846 4.801 0 50 GJAA O=C(c1cc2ccccc2o1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 14976737 KFLXYIMUGOJHOW-DEOSSOPVSA-N 392.474 4.700 0 50 GJAA CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1c(F)cccc1Cl 21787131 HCQGDMYRSYTJCW-IBGZPJMESA-N 385.870 4.951 0 50 GJAA COc1ccc2[nH]c(CN3CCC[C@H](N4CCc5ccccc5C4)C3)c(C)c2c1 23360285 RWBHOBODSVVHJW-NRFANRHFSA-N 389.543 4.508 0 50 GJAA Cc1ccc(F)cc1-c1c(-c2ccccc2)ncn1C[C@@H]1CC(=O)N(C2CC2)C1 65531304 PZAWQWTZIZQCHM-KRWDZBQOSA-N 389.474 4.676 0 50 GJAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@@H]1c1ccccc1 67954980 YFRMXGKJRUNOIF-QGZVFWFLSA-N 386.810 4.633 0 50 GJAA Cc1ccc(CN(C(=O)Nc2ccccc2OC[C@H]2CCCO2)C2CC2)s1 96162861 CTDUDGSZKKDOIX-QGZVFWFLSA-N 386.517 4.811 0 50 GJAA COc1cccc(C[C@H](C)C(=O)Nc2ccc3nc(-c4cscn4)[nH]c3c2)c1 209810634 BRHVBJUDTWQELF-ZDUSSCGKSA-N 392.484 4.512 0 50 GJAA in-vitro CN(CC1CCOCC1)C(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1 299772802 CEDKIZZSVUAFGT-UHFFFAOYSA-N 377.406 4.871 0 50 GJAA Brc1ccc([C@@H]2C[C@H]2c2nc(Cc3cnc(C4CC4)o3)no2)cc1 2325789707 HFYOMZXPAYCYQZ-LSDHHAIUSA-N 386.249 4.559 0 50 GJAA CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 1117346 BXOLRTWPAGFYIU-UHFFFAOYSA-N 381.497 4.789 0 50 GJAA CCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 1130969 BBMPYAFXCAMBRB-UHFFFAOYSA-N 385.920 4.712 0 50 GJAA O=C(Nc1cccc(F)c1)c1ccn(COc2c(Cl)cccc2Cl)n1 2795652 PRYHOQASKIMGFJ-UHFFFAOYSA-N 380.206 4.618 0 50 GJAA COc1cc2sc(NC(=O)COc3cc(C)cc(C)c3)nc2cc1Cl 2859417 IPKFEWCFIVZUAM-UHFFFAOYSA-N 376.865 4.593 0 50 GJAA CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Br 4950727 YCPIUTGMZJUYBZ-UHFFFAOYSA-N 378.310 4.546 0 50 GJAA C[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)Cc2cc(Cl)ccc2O1 14981884 QDZOCTMRQKLPNM-HNNXBMFYSA-N 381.863 4.705 0 50 GJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1OC 20203061 GXJOACUBZRCGOH-XMMPIXPASA-N 399.494 4.728 0 50 GJAA CN(Cc1cc(-c2ccccc2)on1)Cc1cn(C)nc1-c1ccccc1F 20661381 OWZOHESHBFZIBB-UHFFFAOYSA-N 376.435 4.513 0 50 GJAA Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccccc4)ccc3Cl)cc12 110190916 KTGCCGIAQGKGPQ-UHFFFAOYSA-N 376.847 4.849 0 50 GJAA FC(F)(F)c1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1 169349281 JOYJBDOUGWZXJT-UHFFFAOYSA-N 375.316 4.898 0 50 GJAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 229740826 BASNASACFHDNLR-MNEFBYGVSA-N 377.960 4.528 0 50 GJAA CCc1oc2c(NC(=O)N3CCC(CCn4cccn4)CC3)cccc2c1C 426470981 XWUJBZSXEIKHEI-UHFFFAOYSA-N 380.492 4.834 0 50 GJAA Cc1cccc([C@H](NC(=O)N2CCC(COC(C)C)CC2)c2ccccc2)c1 584897601 PEGPUEUMVZPQLQ-HSZRJFAPSA-N 380.532 4.931 0 50 GJAA COc1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1OCc1ccccc1F 1704342663 PNDRGLILJVOEQU-DNQXCXABSA-N 399.506 4.540 0 50 GJAA CSc1cccc(Nc2ccc(NC(=O)c3nccc4[nH]ccc34)nc2)c1 1875309469 WHXZBOZRQHDGEC-UHFFFAOYSA-N 375.457 4.676 0 50 GJAA COc1ccc([C@H](CC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 949660 MYPSECYPRNTVMA-QFIPXVFZSA-N 398.455 4.622 0 50 GJAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1 994607 KSRMPPFXYZHMNZ-UHFFFAOYSA-N 381.435 4.561 0 50 GJAA Cc1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C(N)=O)c1C 1200786 ACEVUZNOYPJVBE-UHFFFAOYSA-N 378.497 4.625 0 50 GJAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 2877537 GJXVOVBADSBQJM-UHFFFAOYSA-N 386.373 4.892 0 50 GJAA O=C(C[C@H]1Nc2cccc3cccc(c23)NC1=O)Nc1cccc(C(F)(F)F)c1 2889952 XBMNHCBYPLLHTB-QGZVFWFLSA-N 399.372 4.620 0 50 GJAA COCc1cc(C)nc2sc(C(=O)Nc3c(Cl)cccc3Cl)c(N)c12 4932013 PWLCJPKBGJGNCR-UHFFFAOYSA-N 396.299 4.892 0 50 GJAA CCOc1ccc2ccccc2c1CNc1c(C)n(C)n(-c2ccccc2)c1=O 6754579 DDSSTYXGANSKJL-UHFFFAOYSA-N 387.483 4.648 0 50 GJAA Cn1cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c2ccccc21 8991277 QXCOECUYRFAQLC-UHFFFAOYSA-N 383.860 4.857 0 50 GJAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN([C@H](C)CC2(C)CC2)CC1 12572514 WWPPVGZZKLWLHY-GOSISDBHSA-N 380.536 4.659 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 12710077 AULVGJITDZDFMO-SFHVURJKSA-N 385.577 4.898 0 50 GJAA O=C(CCC1CCN(Cc2ccoc2)CC1)N1CCC(Cc2ccccc2)CC1 12751199 CNTNAEYDEJSZKE-UHFFFAOYSA-N 394.559 4.753 0 50 GJAA CCn1cc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)c(C)n1 14990834 OSEJPZYMTUIEGG-KRWDZBQOSA-N 383.927 4.635 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1cc(-c2cnn(C(C)(C)C)c2)nc2ccccc12 63881893 GPDBIUAINNKQBX-MRXNPFEDSA-N 376.504 4.868 0 50 GJAA O=C(c1csc([C@@H]2CCCO2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1 162872287 RPNLJEXMCQJELE-INIZCTEOSA-N 396.434 4.818 0 50 GJAA CC(C)(N)C(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 236798142 GASCRTCVPGDQSF-OAQYLSRUSA-N 397.522 4.820 0 50 GJAA O=C1CCCc2cc(NC(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)ccc2N1 252480851 CFDNTCBMMQKTQV-OAHLLOKOSA-N 399.441 4.651 0 50 GJAA COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1NC(C)=O 299800417 WGAWSEINCVJXPP-RBUKOAKNSA-N 381.476 4.502 0 50 GJAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2[nH]1 952970099 HRBDSHAFUPUVJG-CYBMUJFWSA-N 393.468 4.754 0 50 GJAA Cc1c(C(=O)N[C@H](C)c2ccccc2N2CCOCC2)sc2ccccc12 1875260265 DKQVOUCWLLGOQJ-MRXNPFEDSA-N 380.513 4.537 0 50 GJAA CCOc1cc(CN[C@@H](C)c2ccncc2OC)ccc1OCc1cccs1 1875264572 IGKURAYSWYXTPG-INIZCTEOSA-N 398.528 4.980 0 50 GJAA CC1(C)C[C@H](NC(=O)C2CCCCC2)C[C@@](C)(CNC(=O)C2CCCCC2)C1 669169 FGHZXDKIKAURBN-GBXCKJPGSA-N 390.612 4.964 0 50 GJAA Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc(C)c1Br 1105370 SEGZRDJISRSIAJ-UHFFFAOYSA-N 391.290 4.693 0 50 GJAA COc1cccc(C(=O)Nc2ccc(C)cc2NC(=O)c2cccc(OC)c2)c1 1117208 XEDSYUPKEHGFQE-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA COc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)cc1 2834274 DNMSRJSJUWSWKM-UHFFFAOYSA-N 389.451 4.747 0 50 GJAA Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 2982669 RGZCKYAPSATWTR-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CN2CCCCC2)cc1 4991007 KHNVQJDWUHRVDK-UHFFFAOYSA-N 393.314 4.997 0 50 GJAA in-vitro Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCN(C)C)c1Cc1ccccc1 5574914 YVDFKOGMFKMGER-UHFFFAOYSA-N 399.542 4.577 0 50 GJAA CSC1=NC(C(O)(c2ccccc2)c2ccccc2)=C[C@@H](c2ccccc2)N1 6408249 GPAXSHYGCADKMB-NRFANRHFSA-N 386.520 4.870 0 50 GJAA CCOc1ccc(-c2cc(NC(=O)c3ccccc3)c(C(=O)OC)s2)cc1 6808131 DPNJXIJSBLKWAV-UHFFFAOYSA-N 381.453 4.853 0 50 GJAA Cc1ccccc1Cn1c(C)c(CNCCCc2ccccc2)c(C(=O)O)c1C 8610814 QODBJUYNBZXQFL-UHFFFAOYSA-N 390.527 4.882 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc3nonc3c2)cc1 11753957 CEPJOLLZNPGOCJ-NRFANRHFSA-N 387.487 4.520 0 50 GJAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)on1 64985177 LNVDXPILENPZCA-OAHLLOKOSA-N 378.270 4.677 0 50 GJAA O=C1NC2(CCN(Cc3ccccc3-c3ccco3)CC2)C[C@H]1c1ccccc1 95374483 WYIJPVHFRGTZEW-QFIPXVFZSA-N 386.495 4.585 0 50 GJAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 187501006 PHLILVPXAFYDBB-CYBMUJFWSA-N 393.409 4.544 0 50 GJAA CCOc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc2c1 238899572 GRSXKDRCOBANSZ-URLQWDBASA-N 390.549 5.058 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccccc4OC)Oc4ccccc4[C@H]3C2)cc1 239174176 PKUHOXJENXEMMM-QPPBQGQZSA-N 386.451 4.946 0 50 GJAA Clc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)c1 263618912 WCKBUEONVNHGOS-SFHVURJKSA-N 378.819 4.525 0 50 GJAA C[C@H](C(=O)NCc1ccc(OC(F)F)cc1F)c1ccccc1C(F)(F)F 1462207359 HARJXBWCVPBLKZ-JTQLQIEISA-N 391.311 4.866 0 50 GJAA CC(=O)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 1170380 VCJCSZQXEAZXTG-UHFFFAOYSA-N 385.423 4.716 0 50 GJAA Cc1ccc(C)c(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1 2850321 OBYHXLAIIFGGCT-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA COc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1Cl 4661018 FFCZPGGNEWRBCO-LZYBPNLTSA-N 392.839 4.594 0 50 GJAA Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 11753551 AVRJCDQEFCLXRB-IBGZPJMESA-N 385.939 4.819 0 50 GJAA Cc1[nH]c2c(C)cccc2c1CN1CCC[C@@](CO)(Cc2ccccc2F)C1 12192261 MCUWRUALBFOZFG-XMMPIXPASA-N 380.507 4.741 0 50 GJAA CCn1cc(CN2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 12468482 XCJAMFWAOITVTG-NRFANRHFSA-N 389.499 4.790 0 50 GJAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2ccsc2)C1 12586325 KPGHCQHOJYCFEA-JOCHJYFZSA-N 385.529 4.557 0 50 GJAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3c[nH]c4ccccc34)C2)cc1 12757895 HKXCWBAEABWSOQ-NRFANRHFSA-N 391.559 4.563 0 50 GJAA Cc1ccccc1CN1CCC(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 44918334 RACOGJRRRUMTTI-QFIPXVFZSA-N 392.543 4.626 0 50 GJAA Oc1ccc(CN2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)cc1Cl 55060980 GJLAZQAEEUJCCI-JOCHJYFZSA-N 388.914 4.673 0 50 GJAA CCN(CC1CCOCC1)C(=O)c1cccnc1SC/C=C/c1ccccc1 55383504 XIPGMKVSUQPDMS-JXMROGBWSA-N 396.556 4.776 0 50 GJAA O=C(Nc1cccc(O)c1F)c1csc(-c2ccc(Br)s2)n1 128670175 DUUVEWOIZDQGOB-UHFFFAOYSA-N 399.266 4.731 0 50 GJAA COc1cc(Br)cc(C)c1NC(=O)c1ccc2nc(C)ccc2c1 129662264 FNUHOKUWCIVZKV-UHFFFAOYSA-N 385.261 4.875 0 50 GJAA CCN(C(=O)NC1CCN(C2CCCC2)CC1)[C@@H](C)c1cc2ccccc2o1 176011548 RZPGMPNEIFTNJM-KRWDZBQOSA-N 383.536 4.932 0 50 GJAA CCN1CC[C@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@@H](C)C1 229848068 PGEKTUCFYIHRFP-LIRRHRJNSA-N 377.985 4.772 0 50 GJAA C[C@@H](NC[C@@H](O)c1cccc2ccccc12)c1ccc(NC(=O)NC2CC2)cc1 850517521 VYCSQNDZBKCDIT-WAIKUNEKSA-N 389.499 4.508 0 50 GJAA COc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1 888103652 RKWQFQIGOZTTMR-OAQYLSRUSA-N 392.503 4.673 0 50 GJAA O=C(NCCc1ccc(F)c(F)c1F)N1CCCC[C@H]1c1ccc(F)cc1F 1312362078 XRAMUCFFKOEHSU-KRWDZBQOSA-N 398.375 4.861 0 50 GJAA COc1c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc(Cl)c1Cl 1775971548 UBKNIRLJRDWKDY-UHFFFAOYSA-N 380.680 4.765 0 50 GJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cccc3ccccc23)c1 1140627 WOBVZOBNENMWMJ-UHFFFAOYSA-N 382.847 4.859 0 50 GJAA COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 1209117 IJYVOPJLYKIFKN-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA C[C@H]1N=C(c2cccc(C3=N[C@H](C)[C@@H](c4ccccc4)O3)n2)O[C@@H]1c1ccccc1 2387282 WAQJMWVRZVOTCH-AFXFGAOOSA-N 397.478 4.895 0 50 GJAA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C 5094691 PLIQLVFVFPWMHC-UHFFFAOYSA-N 395.502 4.501 0 50 GJAA O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 11933678 LNUSMWFELDJYEE-NRFANRHFSA-N 380.419 4.760 0 50 GJAA COCCCn1c(S)nnc1-c1cc(-c2ccc(C)s2)nc2ccccc12 17081122 SBZKPJCVQRTMRB-UHFFFAOYSA-N 396.541 4.855 0 50 GJAA Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccccc2)cc1 18093962 JEUJBGKXNYOBRO-NRFANRHFSA-N 399.519 4.564 0 50 GJAA Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2cccs2)c1 35076019 LCQJRANJHOEQFG-UHFFFAOYSA-N 394.540 4.627 0 50 GJAA in-vitro O=C(Cc1c[nH]c2ccccc12)N(C(=O)NC1CCCCC1)C1CCCCC1 71767019 DUZIVIVLSXBVPA-UHFFFAOYSA-N 381.520 4.914 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)NCCCC(C)(C)C)co3)ccc2s1 91757330 NRLOQZCMTJKNCD-UHFFFAOYSA-N 387.505 4.728 0 50 GJAA Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2C3CC4CC(C3)CC2C4)c1 107044610 RNEOHPXZDNSDSS-PQPIVTEOSA-N 399.534 4.978 0 50 GJAA N#Cc1cc(Cl)cc(Oc2c(Br)ccc(CC(=O)O)c2F)c1 115918843 VEPZSBUSOHVSRO-UHFFFAOYSA-N 384.588 4.533 0 50 GJAA Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-c2ccccc2F)s1 116688883 LPJOFUMQXVUPMN-AREMUKBSSA-N 387.501 4.993 0 50 GJAA CCN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(Br)cn1 119703320 BRHDBFSODDNCHZ-UHFFFAOYSA-N 388.290 4.634 0 50 GJAA CC1(C)C[C@@H](NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CCO1 151126687 QIAVMWIGYBEGQH-HNNXBMFYSA-N 375.856 4.606 0 50 GJAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 187500987 PHLILVPXAFYDBB-ZDUSSCGKSA-N 393.409 4.544 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](c2nc(CC(C)C)no2)C1 1529152196 PVYALPBHAUPIJC-OAHLLOKOSA-N 386.521 4.673 0 50 GJAA O=C(O)C1CC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 1772716795 XHMRSMWKZRLGIV-UHFFFAOYSA-N 391.467 4.512 0 50 GJAA O=C(Nc1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1c[nH]nc1-c1ccncc1 1875336996 MYULVWHBSLHTLI-UHFFFAOYSA-N 394.356 4.808 0 50 GJAA COC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CCCC2 648914 MLUMCZMQTMERNU-UHFFFAOYSA-N 375.515 4.606 0 50 GJAA Cn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 1058015 YMVHNEUSTLKXCA-UHFFFAOYSA-N 384.313 4.825 0 50 GJAA FC(F)(F)c1ccccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 1058205 MGFUQBVISMSHRK-UHFFFAOYSA-N 399.869 4.878 0 50 GJAA COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 2353187 OVFNFEFRYUOFOU-UHFFFAOYSA-N 378.259 4.848 0 50 GJAA O=C(OCC(=O)c1ccccc1Cl)c1ccc2c(c1)-c1ccccc1C2=O 2751300 PDMJGOHKCOTOBH-UHFFFAOYSA-N 376.795 4.591 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCC2 2765914 LTSFNISZXGJZCS-MDZDMXLPSA-N 393.867 4.858 0 50 GJAA Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3n2CC(=O)O)c1 2857372 YRGBZKCGENOLPV-UHFFFAOYSA-N 384.501 4.724 0 50 GJAA O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc2ccccc2c1 3612665 RPZUSTILCGJDPP-UHFFFAOYSA-N 377.918 4.564 0 50 GJAA CC(C)=CCC[C@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@@]1(C)O 4168503 QWLMWFREGFLQJI-RDXHMCKPSA-N 391.552 4.638 0 50 GJAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NCc1cccc2cnccc12 12437428 UXMPYWCGZCLHCQ-KRWDZBQOSA-N 389.547 4.953 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4ccccc4C)C3)C2)c1 12579136 YHLOEUYAKYSEII-AREMUKBSSA-N 390.571 4.751 0 50 GJAA Cn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2c(F)cccc2Cl)cn1 14960651 SHUIXIYOSNOBCN-QFIPXVFZSA-N 394.881 4.842 0 50 GJAA O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC(OC2CCCC2)CC1 121119917 YYTULPJWTSPOSI-QHCPKHFHSA-N 378.516 4.790 0 50 GJAA CSc1nccn1-c1cccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1 129760000 QHGXDMGFENZAAV-UHFFFAOYSA-N 380.517 4.529 0 50 GJAA CC(=O)N1CCC(CNc2ccnc3ccc(Oc4ccccc4)cc23)CC1 192304842 OKJNSPFAEFRRMP-UHFFFAOYSA-N 375.472 4.698 0 50 GJAA C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(F)c(Cl)c1 252504188 VHZYDPXIVGQJAA-CQSZACIVSA-N 388.870 4.818 0 50 GJAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 426593666 JPXFVCIXPCGXBA-JOCHJYFZSA-N 380.532 4.841 0 50 GJAA Cc1ccccc1-c1ncc(CN2CCC[C@H](OCc3cccnc3)C2)s1 1506414733 RMTPXWTZAKFVHZ-IBGZPJMESA-N 379.529 4.695 0 50 GJAA Cc1ncsc1CN(Cc1ccccc1)Cc1cc(C(N)=O)oc1C(C)(C)C 1529095704 UDEKDNACULSVRM-UHFFFAOYSA-N 397.544 4.643 0 50 GJAA CCCOc1ccc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)cc1Cl 1857732245 ISCSUFMZFNYUHC-QGZVFWFLSA-N 390.911 4.893 0 50 GJAA O=C(NCc1ccnc(Cl)c1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 2325860794 UMXXGOSSOCROIA-WVKNIADZSA-N 380.919 4.889 0 50 GJAA CCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1 753703 PKKMYDAKWTWALG-UHFFFAOYSA-N 378.505 4.751 0 50 GJAA O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCOCC1 996993 BZZGKQHGDGJBAG-UHFFFAOYSA-N 387.266 4.681 0 50 GJAA COc1ccccc1NC(=O)Nc1nnc(SCc2ccccc2F)s1 2977670 IQIQSQVWUULURV-UHFFFAOYSA-N 390.465 4.622 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N(C)CCC4CCOCC4)csc3n2)c1 11663772 WLSASECEHXPXAH-UHFFFAOYSA-N 397.544 4.568 0 50 GJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](OCc2cccnc2)C1 11667816 LTCMWJFACHABQC-FQEVSTJZSA-N 397.906 4.880 0 50 GJAA C/C=C(\C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 12716936 OXEPFEZFCJAMBX-IJUHEHPCSA-N 390.955 4.776 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H]3CCCN(C)C3)cc(Cl)cc12 71712099 LEWRXTVAADVVGB-QGZVFWFLSA-N 395.934 4.755 0 50 GJAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 77357981 AUUOWSGYRRSNFT-UHFFFAOYSA-N 384.483 4.886 0 50 GJAA Cc1cc(C(=O)N2CCC[C@H]2c2nc3c(C)cccc3[nH]2)c2ccc(F)cc2n1 82108269 YUKQLFLDCOPTNQ-FQEVSTJZSA-N 388.446 4.844 0 50 GJAA Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 155312642 ZXDQNQJPVJMBBO-QHCPKHFHSA-N 397.478 4.758 0 50 GJAA Cc1c(C2CCCCC2)noc1NC(=O)c1cc(Br)cnc1Cl 241884867 SYKXBPULHIWYLC-UHFFFAOYSA-N 398.688 5.094 0 50 GJAA c1ccc(-c2cc(-c3nc(-c4cnc5cnccn45)no3)c3ccccc3n2)cc1 445526036 ZSBTXVQTRINAJZ-UHFFFAOYSA-N 390.406 4.662 0 50 GJAA CCOCc1ccc(NC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 490464618 PMVCGFPMWGDCMO-UHFFFAOYSA-N 388.374 4.855 0 50 GJAA CC(C)(C)C[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cccnc1 828000461 KNZRSQBDDMNCPN-JOCHJYFZSA-N 379.548 4.555 0 50 GJAA CCC(=O)Nc1cc(NC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)ccc1C 952972389 URERKQHTKNMARD-MRXNPFEDSA-N 383.492 4.736 0 50 GJAA Cc1ccccc1-c1ncc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)s1 1857713696 DEUJRUMLUWRZNB-QGZVFWFLSA-N 395.528 4.883 0 50 GJAA CC(C)c1cc(O)cc(CNC[C@](O)(c2ccccc2Cl)C(F)(F)F)c1 1875346224 XAAFBDANDUTSJY-SFHVURJKSA-N 387.829 4.709 0 50 GJAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)cc3C)cc2)nc1 2325741782 POUSWZYFIPONIZ-UHFFFAOYSA-N 384.439 4.929 0 50 GJAA COc1ccc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 868786 PTYGROSWVBZXOC-QHCPKHFHSA-N 394.492 4.792 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 1115030 JIYDAIJGWCTIQU-CSKARUKUSA-N 396.830 4.846 0 50 GJAA S=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 1130892 RUAOMZJTFGQIQH-UHFFFAOYSA-N 395.753 4.600 0 50 GJAA CCOc1cc(C(=O)NCCc2cccc(Cl)c2)cc(OCC)c1OCC 1217499 QNCQOSHTJOGDGF-UHFFFAOYSA-N 391.895 4.509 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(C(C)(C)C)cc12 4542460 PIQCXTKAJQFJGM-UHFFFAOYSA-N 379.456 4.653 0 50 GJAA Cc1cc(C)cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccn2)c1 12448165 OFHXQOMYLAHGFI-DEOSSOPVSA-N 381.479 4.968 0 50 GJAA Cc1c([C@@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc12 12577181 GCSHPDIMWPOOQH-OAHLLOKOSA-N 388.471 4.936 0 50 GJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 17080662 VIGRJFNSOYZCGW-AVBTWRTFSA-N 394.515 4.647 0 50 GJAA C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 122326325 UDIOIHXCIPIDDH-KXBFYZLASA-N 394.496 4.613 0 50 GJAA Fc1ccc(NCc2nnc(-c3cccc(Br)c3)o2)cc1Cl 132737747 IYAXVFYHGPSQJN-UHFFFAOYSA-N 382.620 4.904 0 50 GJAA CNc1snc(C)c1C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 170621590 SVNNKYXQTQKZAO-JTQLQIEISA-N 390.509 4.555 0 50 GJAA CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 185835849 ULXNEUIQVLDYMP-INIZCTEOSA-N 395.425 4.610 0 50 GJAA CC(C)(C)[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H](c2ccccc2)O1 1529101644 JJRJUDHMLHRKAB-AZUAARDMSA-N 380.513 4.925 0 50 GJAA COc1cc(-c2noc(-c3coc(CC4CC4)n3)n2)cc(Cl)c1OC(C)C 2325733491 LNEDKCSGIPLKQB-UHFFFAOYSA-N 389.839 4.793 0 50 GJAA CC(C)C1CCC([C@@](C)(O)CNC(=O)NCc2ccc3c(c2)CCCC3)CC1 2325841052 BIZVXBJMCJRHQT-HTIOENIKSA-N 386.580 4.578 0 50 GJAA CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(Cl)c1)Nc1ccccc1-2 683737 BNHAHSQCBJDNGF-MRXNPFEDSA-N 386.864 4.513 0 50 GJAA COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4OC)n3)cc2c1 1064517 HNOFGPUDHFKWGB-UHFFFAOYSA-N 380.425 4.677 0 50 GJAA C[C@@H](NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 1116713 PVUILLSLYOZJQW-GOSISDBHSA-N 382.463 4.750 0 50 GJAA CC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 1163084 PWRBXMUONJOABD-UHFFFAOYSA-N 386.407 4.981 0 50 GJAA Cc1c(C(N)=O)c2nc3c(c(-c4ccccc4)c2n1Cc1ccccc1)CCC3 1296678 IQSSUZJEPUMFPJ-UHFFFAOYSA-N 381.479 4.648 0 50 GJAA CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 2469508 BJLUSZVGUVIDMU-KRWDZBQOSA-N 397.515 4.727 0 50 GJAA CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC 2850116 DENMDJPQPLLIHV-BOPFTXTBSA-N 385.847 4.790 0 50 GJAA N=c1sc(Cc2cccc3ccccc23)cn1CC(=O)c1ccc(F)cc1 4470912 QHDYUPASMYTVGL-UHFFFAOYSA-N 376.456 4.795 0 50 GJAA Cc1cccc(CNC(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 12440685 VDBXERCQUAUFTE-NRFANRHFSA-N 380.875 4.587 0 50 GJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 12448625 DREAPRPOQXHUAR-IBGZPJMESA-N 381.476 4.647 0 50 GJAA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 22204961 AOKSARDXSZOHLZ-OAHLLOKOSA-N 392.113 4.556 0 50 GJAA Fc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1Br 39769824 VXCVNBYMELAWRG-UXHICEINSA-N 395.360 4.817 0 50 GJAA COc1ccc([C@@H]2CN(Cc3cc4ccccc4o3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95352793 CLYWHKDXXMVNNZ-ICDZXHCJSA-N 388.511 4.504 0 50 GJAA CCCCOc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1 169762137 TZNYUPIALCDJNZ-KRWDZBQOSA-N 383.492 4.564 0 50 GJAA Cc1ccc(-c2nc(-c3c(O)c(Br)c(C)oc3=O)cs2)cc1 214076781 UNLPJVCBTMQKCK-UHFFFAOYSA-N 378.247 4.515 0 50 GJAA CCOC(=O)c1csc(C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 261494919 SUZIHFOPXIHEBA-UHFFFAOYSA-N 386.729 4.527 0 50 GJAA Clc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 263615852 FNZUXVUIFLUTKQ-GOSISDBHSA-N 378.819 4.525 0 50 GJAA Brc1cccc(C2(CN[C@H](c3ccccc3)c3ncc[nH]3)CC2)c1 446822281 VXJCNELTKXBHFY-GOSISDBHSA-N 382.305 4.583 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 492778164 PBWIPUHRDYVDLK-UHFFFAOYSA-N 384.888 4.892 0 50 GJAA CN1[C@H]2CC[C@@H]1CN(Cc1ccccc1OCc1c(F)cccc1Cl)CC2 823811702 KSNJNJFYOCKKLU-ZWKOTPCHSA-N 388.914 4.727 0 50 GJAA c1ccc2oc([C@H]3CCCN(Cc4cc(CN5CCCC5)cs4)C3)nc2c1 952868959 JGYBNWPLIZIJMZ-SFHVURJKSA-N 381.545 4.865 0 50 GJAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccccc1 727482 RJDMXBSDNVNMOF-UHFFFAOYSA-N 387.482 4.671 0 50 GJAA CC(C)(C)c1cc(Cl)c(O)c(NC(=O)c2cncc(Br)c2)c1 1155463 SNUISTQCCXUYMA-UHFFFAOYSA-N 383.673 4.753 0 50 GJAA COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 1172745 YNOIWRSUMFNDSM-UHFFFAOYSA-N 387.435 4.742 0 50 GJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 1174772 KMQPAHMWPNDADU-UHFFFAOYSA-N 397.544 4.591 0 50 GJAA COc1ccc(OC)c(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 2851437 UGFOETWUSAPKCM-UHFFFAOYSA-N 388.823 4.768 0 50 GJAA O=C(NCc1ccccc1)c1cccnc1Nc1ccc(Br)cc1 2866258 DLFMZCPSWFNKPX-UHFFFAOYSA-N 382.261 4.518 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4025288 RQZAXGRLVPAYTJ-JQBUYCCYSA-N 384.516 4.575 0 50 GJAA biogenic,in-vitro CCOc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC 4573172 BHFUGPWHCXEANN-INIZCTEOSA-N 385.504 4.936 0 50 GJAA COC[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 4820607 YPMVDJPHFFYECO-QGZVFWFLSA-N 397.478 4.729 0 50 GJAA CCOP(OCC)OC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F 4948783 LGNNPBLPMKBLAU-UHFFFAOYSA-N 388.241 4.508 0 50 GJAA CC(C)Oc1ccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 5690077 BGJNEQDIGHFPJJ-GOSISDBHSA-N 387.505 4.915 0 50 GJAA BrC(Br)(Br)c1ccc2ccccc2n1 8078163 UDYYQHILRSDDMP-UHFFFAOYSA-N 379.877 4.530 0 50 GJAA CCCn1ncc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1C 12373787 DAXANSSVTIUGEP-HXUWFJFHSA-N 375.516 4.850 0 50 GJAA Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 13122581 LQQXZIJRHRFAGZ-FCHUYYIVSA-N 398.491 4.861 0 50 GJAA aggregator COc1nc2ccccc2cc1-c1c(-c2ccccc2)ncn1CCc1c[nH]cn1 65387576 MXGRVIORDRSPKJ-UHFFFAOYSA-N 395.466 4.740 0 50 GJAA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 66136427 UYYRGUHHPKHWTR-LJQANCHMSA-N 390.449 4.576 0 50 GJAA Cc1c(Cl)cccc1NC(=O)Nc1cccc(-c2nnc3n2CCCC3)c1 169771906 OVYAHGRSTXWWAL-UHFFFAOYSA-N 381.867 4.887 0 50 GJAA Cc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1ccccc1F 176617483 GJWLKDAGAGSJRN-UHFFFAOYSA-N 376.391 4.591 0 50 GJAA Cc1ccc(-c2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)sc2C)c(C)c1 239025485 BRUNFBNOKYQHBL-UOVPBQLFSA-N 396.512 4.587 0 50 GJAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)c1cccc2ccccc12 2325841867 IGFOLFVNZCTJRV-SFHVURJKSA-N 375.403 4.509 0 50 GJAA Cc1ccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 1153938 ALXSNVZXNAHKPF-UHFFFAOYSA-N 386.524 4.993 0 50 GJAA O=C(NCc1cccs1)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1 1406362 DJKQJVBEZSNQSF-UHFFFAOYSA-N 379.268 4.544 0 50 GJAA CCCCOc1ccc(-c2nnc(S[C@@H](C)C(=O)O)n2-c2ccccc2)cc1 2877005 HSZYCOMQYSOBDR-HNNXBMFYSA-N 397.500 4.678 0 50 GJAA O=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccc1)c1ccc(Cl)cc1 2877429 ZCZSDKGNECAPBF-ZWKOTPCHSA-N 381.950 4.722 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 2994708 PYMNAJOEJKSECR-UHFFFAOYSA-N 376.909 4.954 0 50 GJAA COC(=O)c1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 4128653 JLKZANYXBGEUHG-UHFFFAOYSA-N 398.842 4.691 0 50 GJAA Cc1ccc(C)c(-c2cn3c(C(=O)N[C@@H](C)CCCC(C)(C)O)csc3n2)c1 12440630 YSTOTSWXEWBSFX-INIZCTEOSA-N 399.560 4.739 0 50 GJAA Cc1cc(O)ccc1-n1c(S)nc2sc(C)c(-c3ccccc3)c2c1=O 17077805 LPPKSHUSWGSYRW-UHFFFAOYSA-N 380.494 4.725 0 50 GJAA C[C@@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@@H](C)O1 19889044 LMMVZOBRCFQJEF-WOJBJXKFSA-N 380.532 4.553 0 50 GJAA COc1ccccc1CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67726359 XCBWDRZTTXTBFV-UHFFFAOYSA-N 375.468 4.771 0 50 GJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccccc1C(F)(F)F 130484151 XOKOCNPPPNQMQV-UHFFFAOYSA-N 376.378 4.502 0 50 GJAA CC(=O)N1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)c2ccccc21 137685433 WTJQRNUGXFNSOU-UHFFFAOYSA-N 389.377 4.610 0 50 GJAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(Br)c3)C2)o1 170620063 APXHCAYXLJOPKZ-MRXNPFEDSA-N 399.244 4.935 0 50 GJAA Cc1cc2sc(=N)[nH]c2cc1-c1cccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 534581874 JCDSJEKPTJSHIS-HDICACEKSA-N 389.524 4.722 0 50 GJAA Cc1nc2cc(C(=O)N3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)ccc2s1 1529147042 TWGARKCDQZYLSJ-VQTJNVASSA-N 378.497 4.597 0 50 GJAA COC12CC3C[C@@H](C1)C(NC(=O)c1cc(C4CC4)nc4ccc(C)cc14)[C@@H](C3)C2 1875252156 WSTSMYXEDUVNDE-DOHQZWELSA-N 390.527 4.744 0 50 GJAA COc1ccc(COC[C@H](O)CN2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1 1875344416 KDGRAKHXWRIJMC-VWNXMTODSA-N 395.543 4.580 0 50 GJAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@@]12CCCC[C@H]1OCC2 2325839162 KQZJKLMVXWTIMD-FYYLOGMGSA-N 394.540 4.897 0 50 GJAA Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1C 1200231 IXGAZYKHEBEPOG-UHFFFAOYSA-N 378.303 4.964 0 50 GJAA O=[S@@](Cc1ccccc1)/C(=C/NC(=S)Nc1ccccc1)c1ccccc1 4398313 XKXNSSGXGWFECQ-JXJSOSRJSA-N 392.549 4.921 0 50 GJAA COc1ccccc1NC(=O)c1nc(SCc2ccccc2)ncc1Cl 4820576 AHCBTONNLAKJMS-UHFFFAOYSA-N 385.876 4.683 0 50 GJAA Cc1ccccc1CCN1CCC(CN(C(=O)c2ccoc2)C2CCCC2)CC1 12752846 SALKKEPRKNDREM-UHFFFAOYSA-N 394.559 4.928 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)CC1CCCC1)O2 14950875 NSYLQXNUKSHDLN-HXUWFJFHSA-N 377.484 4.556 0 50 GJAA COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 18145768 AQMWCJYKRVBHDD-CQSZACIVSA-N 379.847 4.795 0 50 GJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19827564 XHQJYSCHUQBXDN-RPBOFIJWSA-N 396.534 4.724 0 50 GJAA Nc1ncc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1Cl 170623560 UCUBZHMKGDRNCF-UHFFFAOYSA-N 378.819 4.613 0 50 GJAA Cc1ccc(-c2cncc(C(=O)Nc3ccc(OCCn4ccnc4)cc3)c2)cc1 2325738057 MECCBZRYSPVXAZ-UHFFFAOYSA-N 398.466 4.585 0 50 GJAA O=C(Cc1n[nH]c2ccccc12)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820303 NJCCGONQPJCXHH-UHFFFAOYSA-N 388.298 4.694 0 50 GJAA COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1-c1ccc(C)cc1 685927 SPQCPKWDMNYBTA-UHFFFAOYSA-N 395.480 4.836 0 50 GJAA CCCc1cc(C(N)=O)c(NC(=O)c2sc3ccccc3c2Cl)s1 1056433 CVJPJBHWLRBYRB-UHFFFAOYSA-N 378.906 4.920 0 50 GJAA Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 1113612 WBHORTCKXQTSDJ-LBPRGKRZSA-N 396.796 4.659 0 50 GJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 2062874 LSGWZQZXYVEWRE-UHFFFAOYSA-N 379.456 4.841 0 50 GJAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1C(F)(F)F 2359585 RJPYWHTVISZHQB-UHFFFAOYSA-N 395.768 4.980 0 50 GJAA COC(=O)c1c(NC(=S)NCCC2=CCCCC2)sc2c1CC[C@@H](C)C2 2857763 VWJWAQBMBAJNEE-CYBMUJFWSA-N 392.590 4.836 0 50 GJAA COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Cl 2993599 YXJLLYBQZFCRDW-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA O=C(CCc1ccc(-c2ccc(Br)cc2)o1)NCc1ccccc1 4542717 ATYXCANVCZHNOA-UHFFFAOYSA-N 384.273 4.958 0 50 GJAA Cc1cccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)c1 4858385 WPJLOMLKGWDHHF-UHFFFAOYSA-N 397.478 4.883 0 50 GJAA CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 8729749 HVSRIJCRJQQFJQ-UHFFFAOYSA-N 377.282 4.955 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(O)=Nc2nc3ccccc3n21 9089414 SIXCGHJLAIQTMV-AWEZNQCLSA-N 375.215 4.515 0 50 GJAA CN(Cc1ccccc1)C(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 12111828 WTESZOBHGDPTMB-UHFFFAOYSA-N 384.951 4.991 0 50 GJAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C3C4CC5CC(C4)CC3C5)C2)o1 15063005 DPFSNROVIAGSSI-ZBDKNZDGSA-N 384.564 4.521 0 50 GJAA FC(F)(F)c1ccc(Cl)c(-c2nn3c(-c4cccnc4)nnc3s2)c1 36359203 OEZDXWKFVFIVNE-UHFFFAOYSA-N 381.770 4.587 0 50 GJAA Cc1ccc2nc(-c3cnc(C4CC4)nc3)c(C)c(C(=O)N3CCCCC3)c2c1 63833664 QMUJAVLDYFKRHF-UHFFFAOYSA-N 386.499 4.812 0 50 GJAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3oc(C)cc3c2)cc1 92027979 RERGHSMOOCSLMB-OAQYLSRUSA-N 379.456 4.571 0 50 GJAA CCCCN(C)CC1CCN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 121225918 VJVLKJBGFQVPGH-UHFFFAOYSA-N 398.551 4.934 0 50 GJAA CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 140121291 XLOGLWKOHPIJLV-UHFFFAOYSA-N 398.463 4.566 0 50 GJAA in-vitro CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 170630993 PTLFHXHFVYZXCW-GUYCJALGSA-N 376.497 4.520 0 50 GJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1C 238997254 ACRGBEQNXUSBQC-UCHKQQSZSA-N 385.463 4.653 0 50 GJAA Cc1nnc(S[C@H](C)c2nnnn2C2CCCCC2)n1[C@H]1CCC[C@@H](C)C1 248676530 AKCNTOMIAAXYGR-CPUCHLNUSA-N 389.573 4.683 0 50 GJAA COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc1 252506064 VXPAXUYPHDNKBM-KRWDZBQOSA-N 385.851 4.526 0 50 GJAA O=C1C[C@H](C(=O)N(CCC2=CCCCC2)Cc2ccccc2)C2(CCCC2)O1 952861447 GHVFBNPJVKTNMS-OAQYLSRUSA-N 381.516 4.782 0 50 GJAA COc1cccc([C@H]2CCN(Cc3cc4cc(C)cc(C)c4nc3O)C2)c1OC 952977876 PGENSSRMPKCINF-KRWDZBQOSA-N 392.499 4.564 0 50 GJAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 952981005 LURUNYUSYXEAEQ-GFCCVEGCSA-N 377.271 4.690 0 50 GJAA O=C(Nc1ccc(-c2csc(=NC3CC(F)(F)C3)[nH]2)cc1)c1ccccc1 1875339712 VAELGSPKBVHLFG-UHFFFAOYSA-N 385.439 4.694 0 50 GJAA COc1cncc(/C=C/C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 2325729476 VOVBZBODKVKDGS-MDZDMXLPSA-N 375.428 4.546 0 50 GJAA FC(F)(F)c1c2c(nc3c(-c4cccc(Br)c4)cnn13)CCC2 659988 ZJCJAMXAMZKTDN-UHFFFAOYSA-N 382.183 4.666 0 50 GJAA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 1144181 UHSPAWDSQDTKJG-UHFFFAOYSA-N 390.418 4.519 0 50 GJAA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc3ccccc23)NC(=O)N1 1154332 GFXQSOJJOANUKX-JOCHJYFZSA-N 385.467 4.723 0 50 GJAA Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3Cl)cc2)c1 1184376 HJOOTTKDZUWRML-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA Cc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 1220429 FVCUQILHBKPQSF-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA Cc1sc(NC(=O)COc2ccccc2Cl)c(C(=O)OC(C)C)c1C 2762947 JBWLXIBVAKJLKZ-UHFFFAOYSA-N 381.881 4.601 0 50 GJAA O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 2798006 QISAPIUXOSDJAL-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC2CCCC2)cc1 4694318 PNLRZNSTMBNSOY-IBGZPJMESA-N 387.863 4.607 0 50 GJAA CCC(=O)N(Cc1ccco1)Cc1cc2ccc(SC)cc2nc1N(C)C 20135718 CWJARYZEGZVPMX-UHFFFAOYSA-N 383.517 4.555 0 50 GJAA Fc1cccc(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)c1F 55074357 CSMYDDSVSPXKTO-GOSISDBHSA-N 376.413 4.595 0 50 GJAA Cc1noc(C)c1CCCNC(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 55325710 ANUADLBWLINLGO-QFIPXVFZSA-N 380.463 4.702 0 50 GJAA c1cn(Cc2nncn2C2CCCCC2)c(-c2ccc([C@@H]3CCCO3)s2)n1 72168229 FEYVXIJNHDVSFB-INIZCTEOSA-N 383.521 4.608 0 50 GJAA CN1C[C@@]2(CCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)OC1=O 72463157 KKWKQAFOVVQEPF-OAQYLSRUSA-N 386.879 4.549 0 50 GJAA CC(C)c1cc(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)on1 82108227 JPXFCDXXSNPVIF-UHFFFAOYSA-N 382.382 4.500 0 50 GJAA CN(CCCn1ccnc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 121163809 KUYVOUPCSODJFC-UHFFFAOYSA-N 384.867 4.883 0 50 GJAA CCn1c([C@H](C)NC(=O)c2cccc(-c3ccccn3)c2C)nc2ccccc21 122351585 UEYIJBYQYKERSW-KRWDZBQOSA-N 384.483 4.918 0 50 GJAA CC(=O)Nc1ccccc1C1=NN(C(=O)c2ccsc2)[C@H](c2cccs2)C1 239869360 CYTQNRKXNFWMOU-SFHVURJKSA-N 395.509 4.760 0 50 GJAA Cc1ccc(CN(C)C(=O)Nc2cccc(OCc3cscn3)c2)cc1F 242263318 XYBDMONPNFCUCT-UHFFFAOYSA-N 385.464 4.834 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 245226504 ZPRFWGVOJIMMSJ-XEAGOBSMSA-N 381.431 4.657 0 50 GJAA Clc1cccc(-n2cc(-c3noc(Cc4csc(C5CC5)n4)n3)cn2)c1 1776002744 BDBDRPSOHFTHSR-UHFFFAOYSA-N 383.864 4.500 0 50 GJAA Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2nnc(C(C)C)o2)c2nccc(C)c2c1 1875404322 FBWCCDWDXHTYDM-HJPURHCSSA-N 390.487 4.509 0 50 GJAA COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCCC2 677026 CNWLCNYHJYTHSX-UHFFFAOYSA-N 387.501 4.554 0 50 GJAA O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1-c1ccccc1 705079 KDTVUNPLEAFKGX-UHFFFAOYSA-N 377.241 4.815 0 50 GJAA O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccccc1 2859355 NOINJJBEPLBCPU-OAQYLSRUSA-N 385.394 4.678 0 50 GJAA COc1cc(CNC(C)(C)C)cc(Br)c1OCc1cccs1 4199563 GUAJPTNAFKNKMS-UHFFFAOYSA-N 384.339 4.986 0 50 GJAA CCCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 4698395 CGSKQEAFBZYXNV-RIYZIHGNSA-N 397.471 4.703 0 50 GJAA COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1OC 4724729 MUJFEBDHDMUXDH-JTSKRJEESA-N 376.412 4.539 0 50 GJAA CCOc1ccc(-c2csc(-c3cc4cccc(OC)c4oc3=O)n2)cc1 5196643 GBVFKYZMZUDMLC-UHFFFAOYSA-N 379.437 4.991 0 50 GJAA O=C(CCc1ccccc1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 11789786 XOAMRYLOAQIWPJ-SFHVURJKSA-N 395.453 4.694 0 50 GJAA Cc1ccc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cc1 11880874 LFIBUDMMIJBCCV-UHFFFAOYSA-N 393.527 4.995 0 50 GJAA COc1ccc(-c2nc(CN3CCOc4ccccc4C3)c(C)o2)c(C)c1C 12075094 WYHHKRUBPOZPCT-UHFFFAOYSA-N 378.472 4.670 0 50 GJAA CSCCC(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 12299644 RQIJKDPSPNXEDV-UHFFFAOYSA-N 396.556 4.592 0 50 GJAA COc1ccccc1N1C(=O)/C(=C/Nc2cccc(C)c2)c2ccccc2C1=O 18179513 ICHJFJMYUMOPPB-HMMYKYKNSA-N 384.435 4.644 0 50 GJAA O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc2ccccc2s1 19851194 ZQZHJZHSRXHBKC-UHFFFAOYSA-N 375.862 4.822 0 50 GJAA COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1)CC2 29063979 ATYXTVKHMLAWBZ-UHFFFAOYSA-N 375.468 4.635 0 50 GJAA in-vitro Cc1ccsc1-c1nc(CN(C)Cc2nnc(-c3ccccc3)o2)c(C)o1 67872325 VPMNPJQSTGSLOU-UHFFFAOYSA-N 380.473 4.702 0 50 GJAA CCSc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)s1 95382316 BGDCZLRPWDAQHG-OAHLLOKOSA-N 375.515 4.578 0 50 GJAA O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCC[C@@]2(CC=CCC2)C1 114436030 MEHGTPQGOMWWIJ-QHCPKHFHSA-N 391.471 4.764 0 50 GJAA O=C(Nc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2cc1OC(F)F 134759717 BJHPRGVJGNVJFC-UHFFFAOYSA-N 393.393 4.938 0 50 GJAA O=C(c1cnoc1-c1ccccc1)N1CCC(Oc2ccccc2Cl)CC1 426549873 DFYZJQSIXRXPLS-UHFFFAOYSA-N 382.847 4.679 0 50 GJAA COc1cc2c(cc1OC)[C@H](NC(=O)c1sc(C)nc1-c1ccccc1)CC2 888088822 SHQYJBPIJYXFCF-QGZVFWFLSA-N 394.496 4.553 0 50 GJAA O=C(NC[C@H]1CCCN(c2nc(-c3ccccc3)cs2)C1)C1CCCCC1 952973950 INIKTJRUDJNYBK-QGZVFWFLSA-N 383.561 4.723 0 50 GJAA CC(C)Cc1noc([C@H]2CCCN(Cc3ccc(-c4cccnc4)cc3)C2)n1 952991355 OHSRGDBCEHHFHB-NRFANRHFSA-N 376.504 4.710 0 50 GJAA COc1csc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)c1OC 1875284864 RJECAIHZGKXZHV-CYBMUJFWSA-N 388.464 4.943 0 50 GJAA Cc1cccc([C@@H](C)NC[C@H](CO)Cc2cccc(Br)c2C)c1C 2325842273 SVZZYJOXUSBEGA-QZTJIDSGSA-N 390.365 4.876 0 50 GJAA COc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)cc1 716274 PTRDMHRFPICTQE-UHFFFAOYSA-N 376.437 4.873 0 50 GJAA COC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C)oc2c1 1155050 BZHKKZMZVZLLSK-UHFFFAOYSA-N 382.412 4.569 0 50 GJAA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2799614 ZVQPQOYHVXLYDR-AWEZNQCLSA-N 377.517 4.942 0 50 GJAA CC(C)CC(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 3130783 JGNMTQQNHMWLNK-LBPRGKRZSA-N 381.712 4.779 0 50 GJAA CCN(CC)S(=O)(=O)c1cc2oc(-c3ccccc3)nc2c2ccccc12 5311644 ZCADBWAQZMWEHW-UHFFFAOYSA-N 380.469 4.679 0 50 GJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 5541039 PENMLYDAGXHMAS-XUZZJYLKSA-N 386.426 4.887 0 50 GJAA CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(C)cccc23)cn1 6490309 INIADRBCCZBCCO-UHFFFAOYSA-N 398.510 4.973 0 50 GJAA Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(CC2CC2)n1 11789523 INSBERXOAFUWGK-UHFFFAOYSA-N 390.516 4.727 0 50 GJAA Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 13122580 LQQXZIJRHRFAGZ-VXKWHMMOSA-N 398.491 4.861 0 50 GJAA aggregator Brc1csc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 22078118 GHTMVGIFRBCEFG-MSOLQXFVSA-N 383.399 4.740 0 50 GJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)C[C@@H]1COc2ccccc2O1 55072316 WZCHKZDURDGTAY-QGZVFWFLSA-N 384.863 4.575 0 50 GJAA CCCCN(Cc1ccccc1F)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 92046023 QUBLNPOIRPDJLZ-UHFFFAOYSA-N 381.451 4.667 0 50 GJAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C2CC2)nc2ccccc12 170643789 KWMMITFAUSVNMW-HXUWFJFHSA-N 399.538 4.706 0 50 GJAA c1ccc(OC[C@]23[C@H]4[C@@H]5[C@@H]6CC[C@@H]5[C@]25OC[C@@]52[C@H]6[C@@H]4[C@@H]4[C@H]3[C@@H]3CCC[C@@H]3[C@H]42)cc1 257357030 LQKBOOGLFRWCLL-OSTNFOOJSA-N 386.535 4.645 0 50 GJAA Cc1ccc(-c2ccsc2C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1 1301412005 KIVLNNGBCOHQSY-KRWDZBQOSA-N 391.414 4.604 0 50 GJAA O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)CCC(=O)N2 1318439344 QIUGRKKVDZXIRG-UHFFFAOYSA-N 384.435 4.838 0 50 GJAA CO[C@](C)(CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1F)c1ccccc1 1470221354 KBIXNTWZBPPHNG-RBBKRZOGSA-N 388.458 4.763 0 50 GJAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]nc3C3CCOCC3)c2)C1 1875266347 JYCQJCHBPRZXAX-UZLBHIALSA-N 397.519 4.651 0 50 GJAA COc1cc(CNC[C@@H]2CCCc3cccnc32)c(-c2ccccc2)cc1OC 2325793007 BPNIZRIIOVISKN-FQEVSTJZSA-N 388.511 4.976 0 50 GJAA CN(CC(=O)N[C@@H]1C[C@@H]1c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 2332239372 LICHQRAAHAXKSZ-VDKIKQQVSA-N 388.486 4.519 0 50 GJAA CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(Cl)c1)Nc1ccccc1-2 683738 BNHAHSQCBJDNGF-INIZCTEOSA-N 386.864 4.513 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1cc(C)ccc1NC(=O)c1ccco1 693065 BHNAFYJFIUXFMY-UHFFFAOYSA-N 384.819 4.755 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 996038 KOINGDRHDLKHMO-LLVKDONJSA-N 382.243 4.576 0 50 GJAA FC(F)Oc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 1051504 QNJUYGJRLUZRPY-HOTGVXAUSA-N 376.794 4.679 0 50 GJAA O=C(c1ccccc1)c1ccc(COC(=O)c2ccc(Br)o2)cc1 1074537 SBBOFXAILUQMRO-UHFFFAOYSA-N 385.213 4.630 0 50 GJAA COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1182113 KNELPXTYJWGVGJ-YCRREMRBSA-N 381.284 4.528 0 50 GJAA O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1 1403796 WZILZTCCYHZUAX-UHFFFAOYSA-N 396.339 4.753 0 50 GJAA FC(F)(F)Oc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 2543517 ZXDPCUGKCAYSRY-UHFFFAOYSA-N 379.407 4.596 0 50 GJAA COC(=O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(C)=O 3874352 MXSBUVKSWFWHTQ-WOWWHVILSA-N 381.582 4.817 0 50 GJAA O=C(CCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccc(C(=O)O)cc1 4815957 JRAFPVLFYMEVEG-UHFFFAOYSA-N 385.419 4.558 0 50 GJAA CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C 4821260 XDCBTRJVMNZXAZ-UHFFFAOYSA-N 394.544 4.646 0 50 GJAA CCCCc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 5041568 ROHCNGSJSXXNDH-UHFFFAOYSA-N 394.544 4.636 0 50 GJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 11815244 NRPGJXBHZPGLEM-HNNXBMFYSA-N 396.487 4.869 0 50 GJAA COCC[C@@H]1CCCCN1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 12074148 ITEZBGYXKNDSDK-FQEVSTJZSA-N 383.536 4.629 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O 13829413 NJFVQMRYJZHGME-UHFFFAOYSA-N 380.244 4.779 0 50 GJAA in-vitro CCc1ccc(CN(C)[C@@H](c2ccccc2)c2nnnn2-c2ccccc2C)cc1 55447613 LYHJEACKGZESEW-DEOSSOPVSA-N 397.526 4.755 0 50 GJAA CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 238899636 GWWNVPCADUDGNK-INIZCTEOSA-N 390.270 5.171 0 50 GJAA CC[C@H](C)[C@@H](NC(=O)[C@@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 334160731 LETXEFIBVVVPKP-KFKAGJAMSA-N 384.549 4.562 0 50 GJAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 1875395957 QVUKIDXWSAQQDR-WXVAWEFUSA-N 388.577 4.601 0 50 GJAA C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1ccc(-c2cncnc2)cc1 2325738360 LBQPWVGRAJVRTO-LLVKDONJSA-N 381.486 4.698 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccccc1 634939 IUTMXTKAPOEFJZ-UHFFFAOYSA-N 381.453 4.609 0 50 GJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 850445 QQAQHYCOXAXSBI-UHFFFAOYSA-N 391.309 4.621 0 50 GJAA CCO[C@@H](Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1 2044292 BPOMPTVRBWXZBY-JOCHJYFZSA-N 375.424 4.709 0 50 GJAA in-man CCCCc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 2466860 RENOUPWNTAKSJQ-UHFFFAOYSA-N 377.469 4.504 0 50 GJAA CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 2830812 JDOACBKTTKGJAU-UHFFFAOYSA-N 375.266 4.830 0 50 GJAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4025285 RQZAXGRLVPAYTJ-YLNXRLNMSA-N 384.516 4.575 0 50 GJAA biogenic,in-vitro Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1ccco1)C2 12244559 COUGPQURLNTNRA-UHFFFAOYSA-N 378.453 4.657 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1C 13009888 HZSHCNHXZVJJPW-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(COc2ccccc2F)s1 17045086 SXCVYXKVAIYPLT-UHFFFAOYSA-N 378.816 4.554 0 50 GJAA CC[C@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F 65380369 CZNCGMCFTHSUSC-MRXNPFEDSA-N 385.414 4.516 0 50 GJAA Clc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100561186 OBLMXTWFMGMUBM-INIZCTEOSA-N 387.668 4.750 0 50 GJAA O=C(Nc1ccn(-c2ccccc2Cl)n1)c1sccc1Br 158465874 AZMCKKWJIGGPBI-UHFFFAOYSA-N 382.670 4.602 0 50 GJAA COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C(C)(C)C)C2 239284735 BZALCZFYPHRMAQ-TTZDDIAXSA-N 389.561 5.060 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 245227341 CYEABNJSCNPBIF-HQZQWKOLSA-N 391.854 4.690 0 50 GJAA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 257347788 UKIIXHVIHAJCMP-AXXTZCLVSA-N 388.548 4.735 0 50 GJAA O=C(C[C@H](c1ccccc1)c1ccco1)NCc1nc(C2CCCCC2)no1 952982846 CROGRGYRRHZEES-GOSISDBHSA-N 379.460 4.549 0 50 GJAA Cc1cc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(C)s1 1462774719 DADMNFJMYHBCIU-FQEVSTJZSA-N 389.517 4.914 0 50 GJAA CC(C)n1nc(-c2ccc(F)cc2)nc1[C@H]1CCCN(Cc2ccccn2)CC1 1772815784 XAJTVUONNSRASD-IBGZPJMESA-N 393.510 4.830 0 50 GJAA O=C(O)CC[C@@H]1CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1857783455 QHSHBEICFYGJEJ-IRXDYDNUSA-N 393.483 4.949 0 50 GJAA Cc1noc(C)c1C[C@H](C)C(=O)N=c1cc(-c2ccccc2)[nH]c2ccccc12 1875334422 NMMULBIKFCBHBP-HNNXBMFYSA-N 385.467 4.746 0 50 GJAA C[C@@H](Nc1nc(-c2ccccn2)nc2sccc12)c1ccc2nc(O)[nH]c2c1 1875362550 JSOVRQMSYBQLTF-LLVKDONJSA-N 388.456 4.508 0 50 GJAA CCOCc1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1 2325852772 SDHKOYZYQMZVQV-UHFFFAOYSA-N 381.453 4.865 0 50 GJAA COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)c1 1058740 KKLIPGGQVIWDCD-UHFFFAOYSA-N 385.423 4.973 0 50 GJAA COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1NC(=O)C(C)C 1076314 XWFJDFIBJHLQOG-UHFFFAOYSA-N 398.503 4.739 0 50 GJAA COc1ccc(OC)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 1134548 GYUBYNOKURMHEJ-UHFFFAOYSA-N 386.300 4.883 0 50 GJAA CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 1182511 XADCXRNAFUCPSM-OAQYLSRUSA-N 377.488 4.693 0 50 GJAA O=S(=O)(CCCCC(Cl)(Cl)Cl)Nc1cccc(C(F)(F)F)c1 2697189 OZDGRDHIAOXGKF-UHFFFAOYSA-N 398.661 4.988 0 50 GJAA CCCOC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 2755982 XBJYCPDSBZZZGQ-UHFFFAOYSA-N 383.227 4.545 0 50 GJAA Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCC2)cc1 4894331 IJHVVBOKUPZBLC-QFIPXVFZSA-N 376.500 4.531 0 50 GJAA COc1cc2c(cc1OC)CN(c1cc(C)c3cc(SC)ccc3n1)CC2 16671411 UQZLJAZVIFUUCL-UHFFFAOYSA-N 380.513 4.845 0 50 GJAA CCC(CC)C(=O)N(Cc1ccco1)Cc1cc2ccc(F)cc2nc1N(C)C 20999172 ICDMUEVUSAGRCI-UHFFFAOYSA-N 397.494 4.998 0 50 GJAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 36366342 DJABWDIXJBYBJW-PKTZIBPZSA-N 395.462 4.717 0 50 GJAA COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C)c2cn(C)c(C)n2)cc1OC 252482411 DETANKPSJQTBFQ-LAUBAEHRSA-N 393.531 4.689 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1C[C@@]1(C)C(C)C)CC2 476085202 RVNCYIGEFMCCAL-LXBDKUERSA-N 399.556 4.922 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3cnco3)cc2)cc1 952972455 GWJPHBGFMAVGRJ-JOCHJYFZSA-N 389.499 4.771 0 50 GJAA COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(C)cc2)cc1 1775965011 PVRGTBUTQLPVJV-UHFFFAOYSA-N 397.478 4.786 0 50 GJAA COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 1049831 QMFDBDSWIDYMPC-UHFFFAOYSA-N 388.492 4.995 0 50 GJAA Cc1c(NC(=S)NC(=O)c2ccco2)cccc1-c1nc2ccccc2s1 1085367 PKHPVXOQJHVOTH-UHFFFAOYSA-N 393.493 4.992 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1C 1153238 OTSQDIFMQDSEPM-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2ccc(F)cc2)c1 1187012 JALDHDPJGYYZHA-QFIPXVFZSA-N 391.442 4.788 0 50 GJAA COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1217630 SJFSGNNJBHIWJV-UHFFFAOYSA-N 393.283 4.994 0 50 GJAA Cc1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)cc1F 2787697 VGQGGSNLDJVMEP-UHFFFAOYSA-N 394.233 4.926 0 50 GJAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 2853506 RZLGQNYMKBVMHA-UHFFFAOYSA-N 398.509 4.597 0 50 GJAA CCC(=O)c1ccccc1OCCOCCOc1ccc(Cl)c2cccnc12 2863295 XFAICUGCUGGMCX-UHFFFAOYSA-N 399.874 4.955 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(C2CCCCC2)CC1 13320552 ZPTHFIMGEHGQHU-UHFFFAOYSA-N 389.849 4.841 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 14949249 UOFBUNYRQNPBFD-OAHLLOKOSA-N 391.389 4.529 0 50 GJAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@H](C(F)(F)F)C1 71524550 QVHREZGPROQTMM-ZDUSSCGKSA-N 395.208 4.720 0 50 GJAA CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)[C@H](C)Cc1ccsc1 176311536 ZEHBFRXRFJURDV-OAHLLOKOSA-N 383.521 4.682 0 50 GJAA Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 239231232 VEKPZUHOSGVOGN-ODOSVJCGSA-N 389.495 5.612 0 50 GJAA COc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)n2)cc1 248176633 ASEXFLDCJZRTEU-MBMVPVEPSA-N 395.547 4.872 0 50 GJAA Cc1ncsc1CCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCC1 1940196689 ZXNLPRKFBSQYRJ-UHFFFAOYSA-N 383.344 4.929 0 50 GJAA C[C@H](NC(=O)c1c[nH]cc1Cc1ccccc1)c1ccc2nc(C3CC3)[nH]c2c1 2325825055 BINJXPPFZPZXLA-HNNXBMFYSA-N 384.483 4.850 0 50 GJAA O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1nnc2c(F)cccc2c1O 2325842823 JNRVAWKVRZJKKG-SFHVURJKSA-N 379.435 4.526 0 50 GJAA Cc1cnnc(-c2ccc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)cc2)c1C 2356147731 LVXPIELLLVCFJP-UHFFFAOYSA-N 398.466 4.688 0 50 GJAA CCn1c(COc2cccc3cccnc23)nnc1SCCc1ccccc1 730206 TXOBIAUKPYUSKR-UHFFFAOYSA-N 390.512 4.760 0 50 GJAA Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn12 829521 BISFAECDXVCZQI-UHFFFAOYSA-N 396.372 4.976 0 50 GJAA Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 1062919 WTDFXPXIQLXCES-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 1064143 JLUXVWNZUSXHPB-JOCHJYFZSA-N 386.451 4.861 0 50 GJAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 1142031 FMDVDLXUSWFKLI-LBPRGKRZSA-N 397.281 4.719 0 50 GJAA COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 1166886 CWZFMRMYAIUKRB-UHFFFAOYSA-N 378.428 4.916 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Cl)cn2)cc1 2767397 SQFDCFMGBWVLDK-UHFFFAOYSA-N 379.769 4.856 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)cc1 2877011 XKBSIJBHCBRHDG-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1Br 2883625 FNBJWPPVRUOLCG-UHFFFAOYSA-N 380.241 4.932 0 50 GJAA Clc1ccc(OCc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)c1 4664891 GIUQLEPIHOQELY-UHFFFAOYSA-N 391.283 4.662 0 50 GJAA CCOc1ccc(CNc2ccc(NC(=O)c3ccco3)cc2)cc1OCC 4865858 UHJFBYUWYPEHAA-UHFFFAOYSA-N 380.444 4.941 0 50 GJAA COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1cccnc1 4999722 VJCVQIHSTUMKQQ-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 6832705 BIMXANATIDDQKC-NRFANRHFSA-N 379.479 4.570 0 50 GJAA Cc1nc(N2CCCC2)c2c(C(=O)Nc3cccc(Cl)c3C)c(C)oc2n1 8596696 CJLZCEPJXKVOPL-UHFFFAOYSA-N 384.867 4.654 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(Cc2ccccn2)C1 12304037 NGFMPSVTLHUQFG-FQEVSTJZSA-N 389.474 4.738 0 50 GJAA COc1ccc(/C=C/CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 12464277 DGTKVGHXFXDJBR-PEAOBZDDSA-N 396.506 4.978 0 50 GJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 12581143 ILSIJFJYPWRPBW-FQEVSTJZSA-N 389.543 4.503 0 50 GJAA O=C(CCc1ccccc1Cl)N1CCC(CO)(CCc2ccccc2)CC1 12761141 HPKMVEILZQJJQY-UHFFFAOYSA-N 385.935 4.507 0 50 GJAA O=C(CSC(=S)N1CCCCC1)N(C1CCCCC1)C1CCCCC1 43214990 QEZOJRPRYKKMMW-UHFFFAOYSA-N 382.639 4.984 0 50 GJAA CCCCc1ccc(-c2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)cc1 67974000 GAUKNNXODRDLKP-UHFFFAOYSA-N 378.476 4.528 0 50 GJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 135736462 ZZMDCGIDRVEUOO-BIPCEHGGSA-N 385.847 4.818 0 50 GJAA Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 263619556 ZFGCZDKFIZWHDH-KRWDZBQOSA-N 396.809 4.664 0 50 GJAA CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 822528779 HKMNHTQOCDGDFM-UHFFFAOYSA-N 394.544 4.546 0 50 GJAA CC(C)Cc1noc([C@@H]2CCCN(c3nc(-c4ccc(F)cc4)cs3)C2)n1 1704315985 HUKDAUFBPWUXDW-OAHLLOKOSA-N 386.496 4.915 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C[C@H](C2CC2)O1 1875244512 STAUELCWLUWQBX-DHIUTWEWSA-N 379.500 4.869 0 50 GJAA CCN(Cc1ccc(F)cc1)C(=O)c1cc2c(nc1O)CC[C@H](C(C)(C)C)C2 2325853496 REIHZINFPVUYQG-KRWDZBQOSA-N 384.495 4.740 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c1 705166 ZRXUIRVZIKERPX-FGEXJBCWSA-N 379.459 4.566 0 50 GJAA biogenic Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1C 1123008 QEOJHDZRKGXNMN-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA COc1ccc2c(c1)c1c3n2CCN(C(=S)Nc2ccccc2)[C@H]3CCC1 1205149 BGCNFPPAHZPTSV-FQEVSTJZSA-N 377.513 4.740 0 50 GJAA Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)c(C)c1 2383603 GHZBWBZBLUKUOQ-BJMVGYQFSA-N 377.225 4.560 0 50 GJAA Cc1ccc(OCC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 2764125 VNCSODZIMHMQGQ-UHFFFAOYSA-N 383.879 4.528 0 50 GJAA Brc1c(OCc2nc(-c3cccnc3)no2)ccc2ccccc12 2862694 VDVGQLNPTYEMDE-UHFFFAOYSA-N 382.217 4.626 0 50 GJAA O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1N1CCCCCC1 2866650 QSDVKPNZHFBQQU-UHFFFAOYSA-N 388.514 4.616 0 50 GJAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl 12711633 KRKPCQYZSGVBEH-INIZCTEOSA-N 387.817 4.611 0 50 GJAA CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 13331495 VTZVNWGXCQLOID-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA CCOc1cc2c(cc1-c1c(-c3ccccc3)ncn1Cc1n[nH]c(C)n1)CCC2 65429127 VLKUABQRKIQRPF-UHFFFAOYSA-N 399.498 4.579 0 50 GJAA Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c(C)c1 72434111 AZNIBCFSAYYVGC-UHFFFAOYSA-N 399.458 4.667 0 50 GJAA Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)c1 101665242 UESZGMALBGUBGC-GEPBTVJESA-N 385.507 4.669 0 50 GJAA CCN(Cc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)cc1)C(C)C 110120960 QJRVKPVLIYBDCC-UHFFFAOYSA-N 386.546 4.749 0 50 GJAA C[C@H](N[C@H](C)Cc1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 216007839 XYALBGQTXQJAKV-OHUGHZGNSA-N 375.512 4.908 0 50 GJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1C 238997253 ACRGBEQNXUSBQC-PWCQDKJGSA-N 385.463 4.653 0 50 GJAA CC(C)n1nccc1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 263587316 FLOFFLYMBTZREN-GOSISDBHSA-N 384.483 4.941 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cn1 824827600 ONSPHMSQDSPNMW-KRWDZBQOSA-N 392.455 4.905 0 50 GJAA O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cccc(Nc2ccccc2)c1 857496420 AAEZPSGJIUHHGF-HXUWFJFHSA-N 384.838 4.686 0 50 GJAA O=C(CC[C@@H]1CCc2ccccc21)N1CCC(c2nc3c(s2)CCC3)CC1 1875333824 MVWMAXIRGQMKQH-KRWDZBQOSA-N 380.557 4.848 0 50 GJAA O=C(NCc1ccco1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 728183 ANWFSJOGDJKJTO-UHFFFAOYSA-N 394.434 4.586 0 50 GJAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 1198023 BVJCPFLFGSPYQT-ZDUSSCGKSA-N 377.271 4.547 0 50 GJAA CCN(CC)C(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@H](C)C2 1219038 FZAOBKBFOFAWKZ-HNNXBMFYSA-N 384.545 4.916 0 50 GJAA COc1ccc(C(=O)N[C@H](Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1446728 FQYKRNZMYTYPMX-INIZCTEOSA-N 387.694 4.542 0 50 GJAA biogenic CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 4646258 GNTXSKDHPVCCEV-LBPRGKRZSA-N 378.501 4.863 0 50 GJAA COc1ccccc1OCCSc1nc2ccc(Br)cc2[nH]1 4892965 TWYSNEMTZKVTCS-UHFFFAOYSA-N 379.279 4.505 0 50 GJAA CCCCc1nc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c[nH]1 11819110 RPQVYNCHFGQHLL-QGZVFWFLSA-N 386.515 4.522 0 50 GJAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 12124846 UXACFGDPCHXTOY-HSZRJFAPSA-N 395.449 4.636 0 50 GJAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F 12725555 YKNLEVRIZJQWCF-INIZCTEOSA-N 396.840 4.753 0 50 GJAA Cc1nc2c(C(=O)N3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)cccc2[nH]1 71498363 LHRJKLQWCQDTQV-INIZCTEOSA-N 383.442 4.635 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H]3CCCN3C)cc(Cl)cc12 71759816 AGHAEEBPXPXGGG-IBGZPJMESA-N 381.907 4.507 0 50 GJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCCC1 113162943 ZVTSJEYBSAOGMV-QFIPXVFZSA-N 393.483 4.901 0 50 GJAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 222096195 GNVAQYUASJTLFG-NIJIEXERSA-N 383.511 4.502 0 50 GJAA Cc1nc(NC(=O)Nc2cnn(C3CCOCC3)c2C)ccc1-c1ccccc1 297549797 YZUGFEXOYSIYQG-UHFFFAOYSA-N 391.475 4.557 0 50 GJAA COc1ccc(-n2c(N)c(C(=O)Nc3cc(C)ccc3C)sc2=S)cc1 1775977168 RYIDQBHBUHULMS-UHFFFAOYSA-N 385.514 4.728 0 50 GJAA C[C@@H](NC(=O)N[C@H]1COc2cccc(F)c21)c1ccc(Oc2cccnc2)cc1 1875258264 XCNDRFMHLJAHLN-KUHUBIRLSA-N 393.418 4.507 0 50 GJAA O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1ccco1 631494 ROSIOVJMTFPOKI-SFHVURJKSA-N 389.238 4.637 0 50 GJAA Cc1c(C(=O)Nc2ccccc2I)oc2ccccc12 1055303 QUIASEQRCNEXJP-UHFFFAOYSA-N 377.181 4.598 0 50 GJAA CCCCOc1ccc(C(=O)Nc2sc(CCC)cc2C(=O)OC)cc1 2756281 AKESIEFESIEPPZ-UHFFFAOYSA-N 375.490 4.918 0 50 GJAA O=C1OCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ccccc13)N2 4134366 VYIKVKUSDVMANC-SFHVURJKSA-N 392.252 4.971 0 50 GJAA O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccncc2)N1 5090841 BYVRVRCADFEDKD-QHCPKHFHSA-N 378.435 4.552 0 50 GJAA O=C(NC[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)c1ccco1 12073095 UTUBNPGTPZKVGI-HXUWFJFHSA-N 390.483 4.714 0 50 GJAA O=C(CCC1CCN(C2CCSCC2)CC1)Nc1ccc(F)c(Cl)c1 12373433 JJDNEGKZTPEEPJ-UHFFFAOYSA-N 384.948 4.805 0 50 GJAA CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2)cc1 19595478 XPTKEXDXFMFORE-QHCPKHFHSA-N 388.540 4.771 0 50 GJAA O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(CCCC2CCCC2)CC1 19770607 VUMKHVNFGJOGND-UHFFFAOYSA-N 380.536 4.698 0 50 GJAA Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 225416551 VUKRLHHGVGUXJL-IAGOWNOFSA-N 396.288 4.890 0 50 GJAA CNCC1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 237080699 PSMVSIHVHMMGRH-UHFFFAOYSA-N 388.964 4.704 0 50 GJAA O=C(O)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl 238184417 NOPMLIUINCQDCS-UHFFFAOYSA-N 381.815 4.870 0 50 GJAA CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 464781801 ZGJMRFILRKBGRE-OLZOCXBDSA-N 394.890 4.903 0 50 GJAA O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1cc2ccccc2oc1=O 1052552 HPHLNWCLNZWJKG-UHFFFAOYSA-N 386.190 4.867 0 50 GJAA Cc1cc2oc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(C)c2cc1C 1111556 GWCUOLNSROJGDU-UHFFFAOYSA-N 382.485 4.650 0 50 GJAA CN(C(=O)Nc1ccc(OC(=O)N(C)c2ccccc2)cc1)c1ccccc1 1121879 AGDCAAYEFMHYIR-UHFFFAOYSA-N 375.428 4.990 0 50 GJAA CCOC(=O)/C(=C\c1c(Cl)cccc1Cl)NC(=O)c1ccc(Cl)cc1 4844902 LCLYBMIDEHBCJN-MHWRWJLKSA-N 398.673 4.981 0 50 GJAA CCCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6398495 ZUEFZRPAXDIQLF-UHFFFAOYSA-N 376.456 4.593 0 50 GJAA COc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)nc(C)c2c1 9698336 VCSVJKZBZHYBKO-UHFFFAOYSA-N 377.469 4.712 0 50 GJAA O=C(CCc1nnc(C2CCCCC2)o1)N[C@H](c1ccccc1)c1ccco1 12049805 FTNUSITVWCZFOA-OAQYLSRUSA-N 379.460 4.549 0 50 GJAA Cc1sc2[nH]c(=S)n(CCN3CCCCC3)c(=O)c2c1-c1ccccc1 17078749 AMZLMSHTQNLYER-UHFFFAOYSA-N 385.558 4.582 0 50 GJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(C)c1 33087354 ZERWPTJJHRWOPU-HNNXBMFYSA-N 392.297 4.985 0 50 GJAA CCOc1ccccc1N1CCN(Cc2csc(-c3ccccc3)n2)CC1 55554733 LFPZRCWHRVARGG-UHFFFAOYSA-N 379.529 4.531 0 50 GJAA Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CCc1cccnc1 65527598 HKBOOCLXIHYOMQ-UHFFFAOYSA-N 385.496 4.872 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@H](C)n3cccn3)cc(Cl)cc12 71760120 MFSTUIRUAOUXBL-HNNXBMFYSA-N 392.890 4.871 0 50 GJAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1C 169759622 PRNDWUKTKMEEBP-HXUWFJFHSA-N 381.863 4.677 0 50 GJAA Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 239347148 MEWDQCJFDVNYIZ-WNRNVDISSA-N 396.512 4.703 0 50 GJAA C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1nc2ccccc2s1 734142640 WSPHJDJIQJUZKF-HNNXBMFYSA-N 389.480 4.761 0 50 GJAA O=C(c1cccc(Oc2ccc(O)cc2)c1)N1CCC(c2ccc(O)cc2)CC1 1875361895 HAFYYYWSMNEIIX-UHFFFAOYSA-N 389.451 4.910 0 50 GJAA COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 955024 IWRCOBJVNGSUJE-XNTDXEJSSA-N 389.451 4.935 0 50 GJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc1 956367 WCWCBVUIQNJRMV-UHFFFAOYSA-N 389.451 4.728 0 50 GJAA COc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 1141942 ZGYBLLMRCPVNTH-UHFFFAOYSA-N 386.300 4.883 0 50 GJAA O=S(=O)(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O 1214789 UOGGDVSNMLEDIZ-UHFFFAOYSA-N 388.055 4.544 0 50 GJAA biogenic C/C=C/c1ccc(OCCOCCOc2ccccc2OC(C)C)c(OC)c1 2987058 YTTNNMKQUBTPNE-VMPITWQZSA-N 386.488 4.990 0 50 GJAA FC(F)(F)c1cc(Br)cc(Cl)c1I 63360974 ACCMKKSMXKXGAN-UHFFFAOYSA-N 385.348 4.726 0 50 GJAA Cc1cc2oc(=O)cc(CNc3cc4c(cc3F)NC(=O)CC4)c2cc1C(C)C 155845209 CUDQRBCSBNUXCQ-UHFFFAOYSA-N 394.446 4.861 0 50 GJAA O=C(Nc1ccc2ncsc2c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 333692884 CFOJKFVXKQUHRS-OAHLLOKOSA-N 399.438 4.509 0 50 GJAA Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@H](C)c1csc2ccccc12 826655976 GOZMXQQGPKNMIM-CYBMUJFWSA-N 383.517 4.557 0 50 GJAA Cc1nn(C)c(C)c1CN(C(=O)C[C@H](Cc1ccccc1)c1ccco1)C1CC1 1506426902 QLTXAFIUCQWGIA-FQEVSTJZSA-N 391.515 4.538 0 50 GJAA Cc1nn(C)c(NC(=O)Nc2ccc([C@H]3CCOC3)cc2)c1-c1ccccc1 1875303795 MUUVAFIDMCKJEO-SFHVURJKSA-N 376.460 4.543 0 50 GJAA CC(C)c1nc(O)ccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 2100483208 AJXDUTOTCPZPLL-CQSZACIVSA-N 381.501 4.540 0 50 GJAA Cc1ccc([C@@H]2CNC[C@H]2C(=O)Nc2cccc(-c3ccncc3)c2)c(Cl)c1 2325839675 AXAIJIVRMXTORE-LEWJYISDSA-N 391.902 4.652 0 50 GJAA Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1 670174 RRFXYDGKSRLLRF-KRWDZBQOSA-N 387.435 4.676 0 50 GJAA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)OC4CCCCC4)c23)C1 952366 UGIBVPWNHXWULD-GFCCVEGCSA-N 376.547 4.784 0 50 GJAA O=c1[nH]c2ccc(NCc3ccc(OCc4ccc(Cl)cc4)cc3)cc2[nH]1 1080450 GDKUALSGKZMQNJ-UHFFFAOYSA-N 379.847 4.701 0 50 GJAA Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc12 1129447 KUNPFWQSVRNGOA-UHFFFAOYSA-N 397.887 4.764 0 50 GJAA NC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 1194472 UHXQQGTZZGQPHV-UHFFFAOYSA-N 392.480 4.770 0 50 GJAA O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1 2563946 HIDWEYPGMLIQSN-UHFFFAOYSA-N 390.405 4.801 0 50 GJAA in-vitro CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 2900076 LYKSHYXQTNWLNX-UHFFFAOYSA-N 390.505 4.925 0 50 GJAA O=C(O)Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(Cl)cc1 4706701 FAVRVMWVQWVOGP-UHFFFAOYSA-N 388.832 4.532 0 50 GJAA Fc1cccc(Cl)c1Cc1nnc(S)n1-c1cccc(C(F)(F)F)c1 6402402 JXXWHIBKECBIMO-UHFFFAOYSA-N 387.789 4.958 0 50 GJAA O=C(Nc1cccc2ccccc12)C1CCC(N2C(=O)c3ccccc3C2=O)CC1 6672925 NCRQMTCBVWNPPH-UHFFFAOYSA-N 398.462 4.633 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O 14009099 IJOMHYLIAHWJKX-GDNBJRDFSA-N 375.833 4.685 0 50 GJAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)c1cccc(F)c1 14973592 QHNSYFBTDJNORI-UHFFFAOYSA-N 388.914 4.506 0 50 GJAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@@H]21 100550676 ONPLRFHNPZGXQL-AHCXZYCDSA-N 378.497 4.600 0 50 GJAA O=C1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cc4ccccc4o3)c3cccc1c32 189150805 KENVVYXZQZZGOL-CQSZACIVSA-N 383.407 4.543 0 50 GJAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 245227344 CYEABNJSCNPBIF-POHNSKBLSA-N 391.854 4.690 0 50 GJAA Cc1cccc(CN2CCC[C@@]3(CCN(c4nc(-c5ccccc5)no4)C3)C2)c1 426486016 SXOMMIYHCNSKSR-XMMPIXPASA-N 388.515 4.538 0 50 GJAA C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 462269435 MCWADJXITWQXSQ-QRQCRPRQSA-N 377.488 4.797 0 50 GJAA C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1ccc(-c2ccncc2)cc1 487311593 PZYIUDBGUJQYNK-LAWCQYHFSA-N 383.495 4.695 0 50 GJAA COc1cccc(C)c1C(=O)NC[C@H](c1ccc(C)cc1)N1CCC(C)CC1 952979581 NOTOYIHYMWKLBU-OAQYLSRUSA-N 380.532 4.515 0 50 GJAA Cc1ccc(-c2csc(NC(=O)CCc3cnn(-c4ccccc4)c3)n2)cc1 1348844935 RHUJTURECCERHR-UHFFFAOYSA-N 388.496 4.876 0 50 GJAA CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 643970 SCCSSGURSGNAAV-UHFFFAOYSA-N 387.892 4.551 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 753559 DYYKZPPGHGAPTG-KRWDZBQOSA-N 397.302 4.745 0 50 GJAA CC[C@@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)CCO1 1025961 CCJRNGSGDXZYOG-DQEYMECFSA-N 391.511 4.898 0 50 GJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC[C@@H](C)C1)CCC2 1155639 ACMOMDKFBYHODP-CQSZACIVSA-N 382.529 4.670 0 50 GJAA Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(Cl)c1 1432963 RBQQOSHSICCNKE-UHFFFAOYSA-N 380.810 4.774 0 50 GJAA c1ccc(C(c2ccccc2)n2nnnc2C2(N3CCCC3)CCCCC2)cc1 4006941 DGAPANXMUMXUIN-UHFFFAOYSA-N 387.531 4.566 0 50 GJAA COc1cc2ccccc2cc1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 4573356 SWIKVJMRUKCDKY-UHFFFAOYSA-N 379.500 4.564 0 50 GJAA CSc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 13320017 CODGXLQHIDTVOD-UHFFFAOYSA-N 393.915 4.551 0 50 GJAA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cnc(C)s4)C3)ccc2c1 13593281 KQFDPMQZRUTXPA-IBGZPJMESA-N 380.513 4.708 0 50 GJAA C/C=C(\C)CN1CCC(Cc2cccc(C(F)(F)F)c2)(C(=O)OCC)CC1 14975255 VFQKRHIDPYVSLW-AYSLTRBKSA-N 383.454 4.859 0 50 GJAA O=C(CCC1CCN(Cc2cc3ccccc3[nH]2)CC1)NCc1ccc(F)cc1 15063975 NLBSWKVDSGTNAI-UHFFFAOYSA-N 393.506 4.616 0 50 GJAA CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 20605647 UXPPXJTYCIIUIT-UHFFFAOYSA-N 391.827 4.875 0 50 GJAA O=C(CCc1cccs1)N1CCC[C@H]2CN(C/C=C/c3ccccc3)CC[C@@H]21 43619652 IWTUQGWYVWILEK-ITISGJLNSA-N 394.584 4.707 0 50 GJAA Cc1ccc(F)c(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)c1Cl 95374527 JUWBXRPBVHIPLH-HNNXBMFYSA-N 375.827 4.506 0 50 GJAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 170630997 PTLFHXHFVYZXCW-CXAGYDPISA-N 376.497 4.520 0 50 GJAA CCN(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 176026272 VGCRMCSWOGDZND-UHFFFAOYSA-N 397.866 4.716 0 50 GJAA CN(C[C@H]1CC[C@H](C(=O)O)CC1)C(=O)OCC1c2ccccc2-c2ccccc21 242649101 RUPNBZQCCALWQZ-QAQDUYKDSA-N 393.483 4.758 0 50 GJAA COc1ccccc1CC(=O)N[C@@H](c1nc2ccccc2n1C(C)C)C(C)C 252510044 ZAPYDWQALQXMDE-JOCHJYFZSA-N 379.504 4.682 0 50 GJAA Cc1ccccc1-c1nnnn1CCSc1ncc(C(F)(F)F)cc1Cl 263639648 BXPCBQKYSKSNEL-UHFFFAOYSA-N 399.829 4.508 0 50 GJAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(c2cccc3cnccc23)CC1 366777210 PGBAESSWQSPQEV-OAHLLOKOSA-N 377.488 4.739 0 50 GJAA Clc1ccc(-c2ccc(CN3CCCN(Cc4cccnc4)CC3)o2)cc1 952972288 VJHVVOMAUNCAPU-UHFFFAOYSA-N 381.907 4.703 0 50 GJAA CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529126713 NPXLAUGSTWDQLT-ALFLXDJESA-N 393.556 4.582 0 50 GJAA CCN(CC)C(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 693887 XWDONJGUHFNUGN-UHFFFAOYSA-N 399.541 4.509 0 50 GJAA CC(C)c1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 980871 SKBVISWSFWOMSM-OAHLLOKOSA-N 390.405 4.820 0 50 GJAA Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 1124722 HPKQMPMXKDFRNH-UHFFFAOYSA-N 388.183 4.794 0 50 GJAA Cc1cc(=O)oc2cc(OCc3cccc(C(=O)Oc4ccccc4)c3)ccc12 1124952 XSCHWWIPGOLDRL-UHFFFAOYSA-N 386.403 4.900 0 50 GJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 2782070 RNOYFDVLUZKGFX-CYBMUJFWSA-N 381.369 4.886 0 50 GJAA COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1OC 2880747 WSQIXVKXRYKBMC-UHFFFAOYSA-N 385.423 4.566 0 50 GJAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc2cc(Cl)ccc2oc1=O 4651121 UDSAPQTZUPJZTO-UHFFFAOYSA-N 385.891 4.783 0 50 GJAA COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccccc1 9261009 CACARAMLAFEYDB-UHFFFAOYSA-N 384.361 4.624 0 50 GJAA COc1ccccc1-c1c(C)nn2c(C(F)(F)F)cc(-c3ccncc3)nc12 9877285 JTYUVVOYXFQNKQ-UHFFFAOYSA-N 384.361 4.794 0 50 GJAA Cc1cc(C)c(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c(-n2cccn2)c1 12300651 JORZPSSEKOIOCZ-LJQANCHMSA-N 385.515 4.834 0 50 GJAA Cc1ccc(-c2cncnc2[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 20999384 UCQONVZCKNDKTD-IBGZPJMESA-N 383.499 4.708 0 50 GJAA CNC(=O)c1ccc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)o1 72159084 UZUNMWYFIUBZGC-INIZCTEOSA-N 394.437 4.503 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1 72408832 YZZIODPTGWHAOQ-UHFFFAOYSA-N 386.499 4.584 0 50 GJAA CCOC(=O)[C@H](C)CC(F)(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C 95630474 YIGOAWBCKINPSP-OAHLLOKOSA-N 385.451 4.648 0 50 GJAA O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@H](c2ccn[nH]2)C1 112195352 DPRFWXJHEANNSB-HNNXBMFYSA-N 383.398 4.500 0 50 GJAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(-c2cccs2)nc2ccccc12 122745373 XANWFTBCKAQPLP-MGPUTAFESA-N 378.497 4.651 0 50 GJAA Cc1nc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2ccsc2n1 1163624593 LRHMZGHPOAWLKE-UHFFFAOYSA-N 393.434 4.507 0 50 GJAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(F)c(C(F)(F)F)c1 1875252225 YGNSGHHMMDKAKZ-UHFFFAOYSA-N 392.352 4.780 0 50 GJAA CCOc1ccc(C(=O)Oc2cnccc2-c2cnn(-c3ccccc3)c2)cc1 2325900370 VTROAQBXWNPBTF-UHFFFAOYSA-N 385.423 4.552 0 50 GJAA CCO[C@H](Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1 608131 BPOMPTVRBWXZBY-QFIPXVFZSA-N 375.424 4.709 0 50 GJAA in-man Cc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1 847487 BORCEGKFVCIFDZ-UHFFFAOYSA-N 393.501 4.670 0 50 GJAA Fc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1079829 GLLSQYLCDWQYDS-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA CC[C@H](C)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2389783 ITDOZAVXEQIJIE-YCRPNKLZSA-N 381.472 4.805 0 50 GJAA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 2754049 JOEWSGGIFRWZJB-MRXNPFEDSA-N 385.291 4.697 0 50 GJAA Cc1cc(Br)c(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1C 4754503 BLHUAOUMZLJYPA-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA CN1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2Cl)CC1 4757840 TXRGWDXTRQHKPK-UHFFFAOYSA-N 385.920 4.559 0 50 GJAA Cc1cccc(CNC(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)n1 11821882 FSXQQIPRHGLQLS-FQEVSTJZSA-N 380.875 4.587 0 50 GJAA CN(Cc1ccc(-n2cccn2)cc1)Cc1c[nH]nc1-c1cc2ccccc2o1 12302932 JXCLMTCSJSSTAR-UHFFFAOYSA-N 383.455 4.641 0 50 GJAA CCCN(CCC)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 18120271 MHVGRMCIBJXGPB-UHFFFAOYSA-N 379.548 4.817 0 50 GJAA CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2cc(C)ccc2C)ccc1=O 20095646 CVLJQLRSZYWUFO-QFIPXVFZSA-N 389.499 4.734 0 50 GJAA C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 55549709 KHJFAENTGIZOAM-GOSISDBHSA-N 396.494 4.865 0 50 GJAA Cc1cccnc1[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CC1 95388455 RHUOWPXQKJKFFB-XMMPIXPASA-N 394.478 4.881 0 50 GJAA Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@H]1CCCCc2ccccc21 170644059 MJCUSGJQKROARO-IBGZPJMESA-N 379.460 4.541 0 50 GJAA C[C@]12CCC[C@@H]1[C@@H]1[C@H](CC2)[C@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 257349227 MPIRFQZGXWCVJD-JMPUJIDWSA-N 376.537 4.515 0 50 GJAA CC(C)N(CCN1CCCCCC1)C(=O)c1csc(-c2ccsc2)n1 328592949 DFGZWEMUZVNUFL-UHFFFAOYSA-N 377.579 4.598 0 50 GJAA CCC(=O)c1cccc(-c2cccc(C(=O)N(C)[C@@H]3CCOC(C)(C)C3)c2)c1 426628738 INUYRSHTHOLBGP-OAQYLSRUSA-N 379.500 4.976 0 50 GJAA CC(C)n1ncc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1N 857478686 MEPSSFQQXBGLMD-UHFFFAOYSA-N 395.334 4.595 0 50 GJAA c1cncc(CN2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)c1 1857695797 YISBIMSWVLVFIN-XMMPIXPASA-N 393.575 4.544 0 50 GJAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnc(-c3ccc(C)c(C)c3)s2)C12CCC2 2325826490 CFSUTWWVKPRZIP-RTBURBONSA-N 384.545 4.847 0 50 GJAA CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1C 1155257 XSKNSOTWWCVWQK-UHFFFAOYSA-N 386.831 4.672 0 50 GJAA CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2779691 NPEYJCNDYZMWGO-UHFFFAOYSA-N 381.259 4.750 0 50 GJAA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 2857422 UJDAAHWAGKPLKQ-UHFFFAOYSA-N 399.447 4.579 0 50 GJAA COc1cccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 2994102 YWYSYKAGWJZAEB-UHFFFAOYSA-N 398.842 4.596 0 50 GJAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 4632162 UPEVFCGKJSUQBR-JOCHJYFZSA-N 380.451 4.964 0 50 GJAA CCOc1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 4762568 FNZFFLWYCFTWAW-UHFFFAOYSA-N 389.495 4.585 0 50 GJAA COc1ccccc1NC(=O)Nc1nnc(CSc2ccc(C)cc2)s1 9138077 KEUKWVOYIOEURC-UHFFFAOYSA-N 386.502 4.791 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H](C)c1ccccc1)O2 11782384 GGDFNPFSHAOVCZ-JTSKRJEESA-N 399.490 4.780 0 50 GJAA Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)[C@@H]2CCOC2)c(C)s1 12050396 OJEVOHRVDYDNQU-QGZVFWFLSA-N 385.508 4.577 0 50 GJAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(C)(C)C)cc1Br 13880706 NRRQFFPAPSJUSF-OKILXGFUSA-N 382.342 4.915 0 50 GJAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 14992789 ABSNUFBECMPJHP-HSZRJFAPSA-N 395.449 4.636 0 50 GJAA CC(=O)c1cc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cs1 77485703 XXSDTKLTFUFWOE-UHFFFAOYSA-N 379.529 4.644 0 50 GJAA Cc1sc2nc([C@H](C)Nc3ccc(OC4CCC4)c(F)c3)[nH]c(=O)c2c1C 170651608 XRSFOHRVTZHOGN-NSHDSACASA-N 387.480 4.845 0 50 GJAA O=c1c(Br)c(-c2ccc(Br)cc2)[nH]c2ccccc12 196157624 HCUMPMXVAMPOAI-UHFFFAOYSA-N 379.051 4.720 0 50 GJAA CN(Cc1ccccn1)C(=O)c1cccc(-c2cccc(CN3CCCC3)c2)c1 426370172 AAXNIKSJDVPDSP-UHFFFAOYSA-N 385.511 4.617 0 50 GJAA CCC[C@@H]1CCCN1C(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 426497337 YKLYVZTVHKDXAB-LJQANCHMSA-N 397.588 4.669 0 50 GJAA COc1ccc(-c2ccc(C(=O)NC[C@H](C(C)C)N3CCCC3)cc2)c(C)c1 426512108 KCSHSESDVMYZRQ-HSZRJFAPSA-N 380.532 4.521 0 50 GJAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2C(F)(F)F)c1 952968054 AIZNQECBAKCFMS-LJQANCHMSA-N 391.433 4.764 0 50 GJAA COc1cccc(-c2cc(C(=O)NC3CC3)c3cc(Br)ccc3n2)c1 1000099 UETASBDOJWPIFB-UHFFFAOYSA-N 397.272 4.565 0 50 GJAA O=C(NCc1ccccc1)c1ccc(COc2ccccc2Br)o1 1083480 NCNUTNRIUCWJFU-UHFFFAOYSA-N 386.245 4.551 0 50 GJAA O=P1([C@H](Nc2ccc(O)cc2)c2ccc(Br)cc2)OCCCO1 2810170 NNCJCLOFCUEUJV-INIZCTEOSA-N 398.193 4.895 0 50 GJAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl 4913128 RWADYZHYYTVSDS-HNNXBMFYSA-N 384.303 4.850 0 50 GJAA Cc1ccc2c(Cl)c(C(=O)N3CCN(CCc4ccccc4)CC3)sc2c1 55057226 WRLLBFKUPZJXJZ-UHFFFAOYSA-N 398.959 4.864 0 50 GJAA COC[C@@H]1CCN(Cc2cc3ccc(C)cc3nc2-c2ccc(OC)cc2)C1 72429794 NQZJUSHLXIPNRK-GOSISDBHSA-N 376.500 4.687 0 50 GJAA COc1ccc(Cl)cc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101358003 PNZLQHBZRCNPBX-QFIPXVFZSA-N 392.886 4.874 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)c1 101665245 UESZGMALBGUBGC-FWJZBVEFSA-N 385.507 4.669 0 50 GJAA Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CCCc3ccccc3)n2)cc1 169754593 JHCXPJKDJKCKIE-FQEVSTJZSA-N 375.472 4.731 0 50 GJAA COc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc12 170612613 VBCOOWYVMAQPAG-GOSISDBHSA-N 379.847 4.594 0 50 GJAA COP(=O)(OC)[C@]1(O)[C@H]2CCC[C@H]1[C@H](c1ccccc1)C1=C2CCCC1 239302599 FLRSDWGCLTWBAU-UWHLTILDSA-N 376.433 5.245 0 50 GJAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 246077405 JXDAYTOYPPGWCQ-VXNCWWDNSA-N 375.459 4.599 0 50 GJAA Cc1oc(-c2ccccc2)cc1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 1292025510 IPMSCTRERGXSBP-QGZVFWFLSA-N 378.447 4.650 0 50 GJAA COc1cc(N[C@H]2CCCN([C@H](C)c3ccc4c(c3)CCC4)C2)cc(OC)c1 1459694757 NPEFEFDIIZMUFA-UTKZUKDTSA-N 380.532 4.830 0 50 GJAA CCCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(C=C(C)CCO2)CC1 1704299148 ONMZPJXQLGUWGB-HXUWFJFHSA-N 395.547 4.668 0 50 GJAA FC(F)(F)Cc1cccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857693336 SCGNSMOEPSZDEX-RBUKOAKNSA-N 377.454 4.919 0 50 GJAA CO[C@@H](c1noc([C@H](C)Oc2ccc(Cl)nc2)n1)c1ccccc1Cl 1875259577 XNGKRQCXGDENJO-ZUZCIYMTSA-N 380.231 4.647 0 50 GJAA Cc1cc(C)n(-c2ccc(-c3nc(C4CCCCCC4)n(CCF)n3)nc2)n1 1875349278 SJGLMJUFMQFCND-UHFFFAOYSA-N 382.487 4.550 0 50 GJAA CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc(C(=O)OC(C)(C)C)cn1 1875356118 GFJVFPKTKNORLW-CTNGQTDRSA-N 381.520 4.590 0 50 GJAA C[C@@H](c1cccnc1)N(Cc1ccc(-c2cnn(C)c2)s1)CC1CCOCC1 1875391399 NITZBSVRIYBXCI-KRWDZBQOSA-N 396.560 4.533 0 50 GJAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(CC(C)C)cc3)C2)c2cccc(=O)n21 2356146147 UNFZXCYLFJICMC-BDTNDASRSA-N 392.543 4.648 0 50 GJAA CCOC(=O)COc1ccc2c(c1)c(C(=O)c1ccccc1)c(C)n2CC(C)C 1138811 ZROLRIUQOPCKHC-UHFFFAOYSA-N 393.483 4.779 0 50 GJAA CCCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@@H](C)C2 2741797 LBDSJYSLKHGHRE-CYBMUJFWSA-N 387.501 4.701 0 50 GJAA Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O 4866282 NFAJMWRPWJIFRM-HNNXBMFYSA-N 386.245 4.680 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 5034962 HWJIBRPTECHCFO-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCCCCCCC2 5517209 OQEWIDMGLMRTAQ-UHFFFAOYSA-N 376.444 4.567 0 50 GJAA Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 6341769 QBCCPELRUDFBQK-CVDCTZTESA-N 388.398 4.797 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 12091839 MSAQXYNLYYNVPJ-MRXNPFEDSA-N 399.947 4.991 0 50 GJAA CCOC(=O)c1sc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CC2)nc1C 13961250 HBVUMYIUFOFQFO-UHFFFAOYSA-N 386.517 4.735 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 15074835 WPDVQNFGRIWVHW-SFHVURJKSA-N 384.907 4.702 0 50 GJAA COc1nc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc2ccccc12 170595904 MDYIWKKPYXRDPO-UHFFFAOYSA-N 389.386 4.822 0 50 GJAA CCO[C@@H]1C[C@H](N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)C1(C)C 303852320 OMCRFIJYBFRHSZ-JKSUJKDBSA-N 376.884 4.579 0 50 GJAA Cc1cc(C(=O)N(Cc2cocn2)Cc2cocn2)sc1-c1ccccc1 426374454 YMIQIQNRNZCXGR-UHFFFAOYSA-N 379.441 4.542 0 50 GJAA Cc1coc(-c2cc(N[C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2C)n1 777702930 BXXNSTSTTQTQCR-XXBNENTESA-N 391.515 4.660 0 50 GJAA O=C(NOCCOc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 866056831 OOBXDNBNPKKKKV-UHFFFAOYSA-N 384.435 4.642 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1Br 1776003841 CVACPGSSMCBJSF-UHFFFAOYSA-N 388.714 4.829 0 50 GJAA Cc1ccc2c(c1)CN(CC(=O)Nc1ccc(N3CCc4ccccc43)cc1)CC2 2325770982 FTLIMZYAKDYMOY-UHFFFAOYSA-N 397.522 4.686 0 50 GJAA CN1C(N2CCC[C@@H](CCCc3ccccc3)C2)=NC[C@H]1c1ccc(F)cc1 2325841947 KRRASSJWRCJBRM-OFNKIYASSA-N 379.523 4.903 0 50 GJAA COc1ccc(OC)c(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1 888770 DNOFWUDYJMPIPJ-UHFFFAOYSA-N 380.473 4.835 0 50 GJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O 991732 FXGBVCJGFHIUJX-UHFFFAOYSA-N 396.402 4.836 0 50 GJAA Cc1cc(=O)oc2c(C)c(OCc3ccc(Br)cc3F)ccc12 1117357 JUCAJYYLAGCWSH-UHFFFAOYSA-N 377.209 4.890 0 50 GJAA COc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 1122859 LOAGBNMSLQHYMG-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 1143913 PUGMXVBADFKBPG-UHFFFAOYSA-N 384.545 4.561 0 50 GJAA Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c1 2850693 BKZYAKBMKLZUHE-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA CCN(CC)CCCCCCOc1ccc(I)cc1 2880406 MTTXIQQNGMAKLQ-UHFFFAOYSA-N 375.294 4.572 0 50 GJAA COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)c1ccco1)C2 15068630 GVRUGVAHMQZOAG-UHFFFAOYSA-N 383.831 4.643 0 50 GJAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]12C 25555647 HDLRFHJYLSKLMU-IREABYQZSA-N 376.537 4.545 0 50 GJAA CN1/C(=C\C(=O)Nc2ccccc2Br)c2ccccc2CC1(C)C 32609491 ZFGJCWXSTXGGKM-PDGQHHTCSA-N 385.305 4.695 0 50 GJAA O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F 34431012 KVDJTXBXMWJJEF-UHFFFAOYSA-N 396.718 4.745 0 50 GJAA in-vitro O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CC4)ccc3[nH]2)cc1)c1ccccc1 90623750 LMROEKCUDPNHDU-UHFFFAOYSA-N 396.450 4.831 0 50 GJAA in-vitro Cc1cccc(Cl)c1NC(=O)CSc1nccn1-c1cccc(F)c1 155288560 KLIWTLKMZYZSAW-UHFFFAOYSA-N 375.856 4.704 0 50 GJAA Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 170598057 RPLKZRAULNIFAG-AWEZNQCLSA-N 394.496 4.771 0 50 GJAA CCc1csc([C@H]2CCCN(C(=O)NCc3cc(C(CC)CC)no3)C2)n1 175903112 GCRIUODKTKRZNI-HNNXBMFYSA-N 390.553 4.686 0 50 GJAA O=C(Nc1cccc(Oc2ccnc3ccccc23)c1)c1ccnc(F)c1F 193558830 AFCUJDUYWVESAC-UHFFFAOYSA-N 377.350 4.953 0 50 GJAA COc1cccc2ccn(CCC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)c12 409414242 JIWFYYHZQTWXTN-HXUWFJFHSA-N 387.483 4.715 0 50 GJAA CN(Cc1ccccc1CN1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 426690750 UTDCMPWYRBRFOF-HSZRJFAPSA-N 377.532 4.501 0 50 GJAA O=C(Cc1ccc2c(c1)CCO2)Nc1ccc2c(ccn2Cc2ccccc2)c1 952962733 JXCZEFCGLFQDRT-UHFFFAOYSA-N 382.463 4.806 0 50 GJAA O=C(NCc1ccccc1)c1cc(N2CCC[C@@H]2c2cc(F)ccc2F)ccn1 2325818746 WAKDHZARWSHWGQ-JOCHJYFZSA-N 393.437 4.631 0 50 GJAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 944903 VQGUGLHROCLPSV-UHFFFAOYSA-N 380.257 4.903 0 50 GJAA CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 997673 PLEUGBFTSPBXLO-UHFFFAOYSA-N 388.514 4.825 0 50 GJAA COc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 1210418 POTSFORCSXBEJH-UHFFFAOYSA-N 376.437 4.930 0 50 GJAA Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 2954893 WVLZEVIPPFHYTK-UHFFFAOYSA-N 391.452 4.831 0 50 GJAA Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 4651909 WCAYKVUDNCORBO-QZTJIDSGSA-N 398.528 4.923 0 50 GJAA COc1ccccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)o1 4834806 VLIIAIYAQUZYEC-UHFFFAOYSA-N 391.452 4.629 0 50 GJAA CCCCN(C(=O)C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1 9341703 SGGNCMQAJUIHOW-UHFFFAOYSA-N 382.479 4.511 0 50 GJAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2occc2C)O3)cc1 12148723 QZNHOFBGPMDGRM-GOSISDBHSA-N 379.481 4.710 0 50 GJAA CC[C@@H](NC(=O)c1ccc2nc(-c3cccc(OC)c3)oc2c1)c1ccncc1 12319494 NLCKFPLFDHXTKA-LJQANCHMSA-N 387.439 4.780 0 50 GJAA C[C@H]1CN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)C[C@@H](C)O1 12363299 LMMVZOBRCFQJEF-BGYRXZFFSA-N 380.532 4.553 0 50 GJAA CC(C)N(CCO)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 12431180 FRFSDWGRIVQVLX-UHFFFAOYSA-N 387.886 4.535 0 50 GJAA COc1ccc2[nH]c(CN3CCC[C@@H](C(=O)c4ccccc4OC)C3)c(C)c2c1 12455143 FQTANAVRQFYCGA-QGZVFWFLSA-N 392.499 4.588 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 12574274 CZBDKRBQEWXAQO-KRWDZBQOSA-N 397.569 4.751 0 50 GJAA CC(=O)c1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cs1 12595051 ZMXGEYDUSYNBFU-NSHDSACASA-N 375.444 4.574 0 50 GJAA O=C(N/C(=C\c1ccccc1Cl)C(=O)N1CCCCCC1)c1ccccc1 13371591 XJLZRVHRFTVQMV-SILNSSARSA-N 382.891 4.514 0 50 GJAA CN(Cc1ccccc1)[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 19316173 GKXKMUYWQLRRMW-QFQMRYFISA-N 397.733 4.644 0 50 GJAA O=C1OC(c2ccccc2)=N/C1=C\c1cc2ccccc2nc1N1CCCCC1 19848433 PEAHFQUJZBEDLM-PGMHBOJBSA-N 383.451 4.570 0 50 GJAA CCCn1cc(-c2cc(C(=O)N3CCCCC3)c3ccc(C)c(C)c3n2)cn1 63872160 YDMYXMNFZKZMFY-UHFFFAOYSA-N 376.504 4.751 0 50 GJAA CCCCC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 239331357 KNCJCDJSWFXAAO-NGRWLJPCSA-N 380.532 4.938 0 50 GJAA COc1ccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4ccccc4[C@H]3C2)cc1 245255635 JMSLMZDZXIQXOY-VWNXMTODSA-N 386.451 4.946 0 50 GJAA Cc1ccc2c(C)nc(N3CCC[C@@H](N[C@@H](C)CCCC(C)(C)O)CC3)nc2c1 299770835 RVRGWACUIKBZQQ-AZUAARDMSA-N 398.595 4.525 0 50 GJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C 463544288 RCAARGAPNCNLMK-CVEARBPZSA-N 376.884 4.625 0 50 GJAA O=C1Cc2cc(CCCC(=O)N3C[C@H](c4ccccc4)c4ccccc43)ccc2N1 470224520 SMBNLLUTIUXMGH-JOCHJYFZSA-N 396.490 4.683 0 50 GJAA CC(=O)c1cn([C@@H](C)C(=O)Nc2cccc(CN3CCCC3)c2)c2ccccc12 952985512 BXBUBYOJQJQOMA-KRWDZBQOSA-N 389.499 4.639 0 50 GJAA COc1cccc2nc(NC(=O)N3CCCC[C@@H]3COC(C)(C)C)sc12 2325828520 JQGDAQJPWMHASP-CYBMUJFWSA-N 377.510 4.506 0 50 GJAA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 992000 FRLGARQCPSJTIT-QGZVFWFLSA-N 387.435 4.676 0 50 GJAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@@H](C)C3)c1 1064412 WTYUVFGJECPZLZ-OAHLLOKOSA-N 382.529 4.670 0 50 GJAA O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccccc2F)CC1 1147335 KSVBFERFNGSQRB-UHFFFAOYSA-N 376.431 4.580 0 50 GJAA COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1196076 GURGWXSCCDCWIL-UHFFFAOYSA-N 387.414 4.939 0 50 GJAA Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(C)c1 2762805 YSGIBWKLOCSCKL-UHFFFAOYSA-N 384.277 4.563 0 50 GJAA O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)c(Cl)c1 4834869 JFSRVSNMDOPQQN-UHFFFAOYSA-N 394.279 4.559 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 6819404 LAYSWYQNQWDWIK-HNNXBMFYSA-N 396.314 4.994 0 50 GJAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)CC1CCCC1 12297140 ZQAXESRNHYEVIN-UHFFFAOYSA-N 376.972 4.633 0 50 GJAA O=C(Nc1cccc(-c2cscn2)c1)C1CCN(C[C@@H]2CC=CCC2)CC1 12589221 HCCVZGBVYBUKAP-QGZVFWFLSA-N 381.545 4.817 0 50 GJAA Cn1c(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc2ccccc21 14989479 VDZRVMZHLHYXKI-LJQANCHMSA-N 384.483 4.588 0 50 GJAA C[C@H](CNC(=O)c1cccc(F)c1)Oc1ccc(CN(C)C2CCCCC2)cc1 14991193 BKZNVURKHQPFPD-GOSISDBHSA-N 398.522 4.788 0 50 GJAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CCCCC1 15017194 DNNCFMOWYWOBDJ-UNMCSNQZSA-N 382.891 4.592 0 50 GJAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1c1ccccc1 36360278 MVGPDFOCUGGZGI-PKTZIBPZSA-N 395.462 4.717 0 50 GJAA Cc1ccccc1-c1nnc(CNc2c(F)cc(F)cc2Br)o1 130698676 UMYRRRLIDOGRNB-UHFFFAOYSA-N 380.192 4.698 0 50 GJAA CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 238882070 CHKIYNDAMSPSOR-GCDKYVQMSA-N 386.586 4.935 0 50 GJAA O=C(NCCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 263639818 KJAKRNLDSRZSAA-UHFFFAOYSA-N 378.181 4.771 0 50 GJAA COc1ccccc1-c1ccc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1 1704299043 MEHGNRIRPGBAHI-ISKFKSNPSA-N 379.500 4.784 0 50 GJAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 1875302280 IQCVKGSAKLOYNI-UHFFFAOYSA-N 375.962 4.930 0 50 GJAA CCOc1ccc(CN(c2cccc(CO)c2)C2Cc3ccccc3C2)cc1F 1875323072 VYONMWYPUZRXLF-UHFFFAOYSA-N 391.486 4.891 0 50 GJAA Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C 1875324561 CZRGDMCKOKUUEC-UHFFFAOYSA-N 382.323 4.990 0 50 GJAA O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc2cc(F)ccc2[nH]c1=O 1875341330 PAXFVHKHIMUSDU-KBXCAEBGSA-N 398.865 4.777 0 50 GJAA CCCOc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccnn1CC1CCC1)[C@@H]2C 2325829360 HWIDJHUOQPLAHZ-DLBZAZTESA-N 381.520 4.620 0 50 GJAA COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 935590 BVRXXFGOIMEEPF-INIZCTEOSA-N 375.424 4.546 0 50 GJAA Cc1sc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)OC(C)C)c1C 994987 XSBZPSOPDXNKKD-UHFFFAOYSA-N 381.881 4.601 0 50 GJAA COc1cc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 1151339 ULCYQBBCCPCIOH-SNAWJCMRSA-N 382.243 4.671 0 50 GJAA CCN(CC)CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12 2789371 SGMAPOKPLKOLQI-UHFFFAOYSA-N 389.543 4.980 0 50 GJAA Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)c4ccccc4C3=O)c2)cc1 2874141 BOHFREBXTCEHHE-UHFFFAOYSA-N 390.826 4.701 0 50 GJAA CN(Cc1nnc(SCc2ccccc2Cl)n1C)C[C@H]1CC=CCC1 11908836 GWSQNOKGUAGXHA-HNNXBMFYSA-N 376.957 4.549 0 50 GJAA COc1ccccc1NC(=O)[C@H]1CC12CCN(CC[C@H](C)c1ccc(C)o1)CC2 12133404 NHAWIMIHFZOBHP-PKOBYXMFSA-N 396.531 4.831 0 50 GJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCc2cccs2)C1 12708775 NBEZQIXPUSUFDF-LJQANCHMSA-N 379.529 4.696 0 50 GJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCc2cccs2)C1 12708780 NBEZQIXPUSUFDF-IBGZPJMESA-N 379.529 4.696 0 50 GJAA COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)o1 12755516 QPEBTXMRLKSISN-FQEVSTJZSA-N 389.451 4.690 0 50 GJAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO 13760073 QHELXIATGZYOIB-DOFZRALJSA-N 377.569 4.602 0 50 GJAA endogenous,in-man Cc1ccccc1Cn1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 17078400 QSQHTHOKJFYGSG-UHFFFAOYSA-N 383.879 4.528 0 50 GJAA CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC[C@H]1CCCO1)n2C 19894341 HDKJMDQOPNYABV-GOSISDBHSA-N 396.918 4.970 0 50 GJAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Cl)cccc12 19928926 WHWJKSANMYTIMO-UHFFFAOYSA-N 380.875 4.578 0 50 GJAA Clc1cccc(Cl)c1OCCCN1CCN(Cc2ccccc2)CC1 20500083 VZVNHFFYDOZNPI-UHFFFAOYSA-N 379.331 4.580 0 50 GJAA CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 20615694 MSZLIDHQDPGCEC-UHFFFAOYSA-N 391.487 4.879 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)C2CCCC2)C1 39362169 MVLDJRWWJQGDGI-FQEVSTJZSA-N 394.490 4.860 0 50 GJAA C[C@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)n1cccc1 67562609 LFUWASSTIGWWBD-CQSZACIVSA-N 389.377 4.572 0 50 GJAA CCc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 72115830 PSDCUKRNSUKSOO-UHFFFAOYSA-N 399.458 4.612 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@@H](CN)C1 72411988 XXZUAEFGMGQDCC-SFHVURJKSA-N 377.488 4.613 0 50 GJAA O=C(O)CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 229196620 CPZAAQIZPWFUCI-XZROFOBDSA-N 388.467 4.674 0 50 GJAA CCn1nc(C)c(-c2cccc(C(=O)N(Cc3cccc(O)c3)C3CC3)c2)c1C 299764333 ZPXBDAYLTBSPJH-UHFFFAOYSA-N 389.499 4.697 0 50 GJAA O=C(c1ccc(CSc2ccccn2)cc1)N(Cc1ccc(O)cc1)C1CC1 952972537 ISZUYVGWAYCGQL-UHFFFAOYSA-N 390.508 4.884 0 50 GJAA Cc1nn(C)c(NC(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1-c1ccccc1 1875303794 MUUVAFIDMCKJEO-GOSISDBHSA-N 376.460 4.543 0 50 GJAA Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccsc3)nc2)c(Cl)c1 1875359595 KLLCBWIUOUOSQN-UHFFFAOYSA-N 386.860 4.567 0 50 GJAA CC(=O)c1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)c(C)s2)n(C)c1 2325708349 XCTJMNPXBQFJHO-UHFFFAOYSA-N 381.501 4.837 0 50 GJAA Cc1nc(COc2cccc(/C=C/C(=O)O[C@@H](C)Cc3cccnc3)c2)cs1 2325725147 XMCAOPAYBMTZBO-FDMDGMSGSA-N 394.496 4.613 0 50 GJAA O=C1NCCC12CC(N[C@@H](c1ccc(Cl)cc1)c1cccc(C3CC3)c1)C2 2325827653 MDVIRSHHTWTNIJ-QKDPSFTKSA-N 380.919 4.565 0 50 GJAA CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)Nc2ccccc2)c1 713709 VSKRBNAVDVPQNX-UHFFFAOYSA-N 395.503 4.908 0 50 GJAA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C(F)(F)F)CC(=O)O3)cc1 4626311 VXQAUUYKPWBRPZ-AWEZNQCLSA-N 388.345 4.545 0 50 GJAA C[C@@H](Oc1cccc(CN(Cc2ccccn2)C(=O)c2cncs2)c1)C1CC1 12452651 URHCXWNUIMDXPW-MRXNPFEDSA-N 393.512 4.558 0 50 GJAA O=C1CC(c2ccccc2)=NN1c1nc(-c2ccc(Br)cc2)cs1 14628705 IBZJWYGZMRHZLN-UHFFFAOYSA-N 398.285 4.714 0 50 GJAA c1ccc(OCc2nc3ccccc3n2C2CCN([C@H]3CCSC3)CC2)cc1 15067282 IIRXTVKOIHECME-IBGZPJMESA-N 393.556 4.758 0 50 GJAA COc1cc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)ccc1F 19224035 WXZUZHOGNYMEOH-IBGZPJMESA-N 379.479 4.912 0 50 GJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc21 20605162 VBMUMSQWCXGCTH-UHFFFAOYSA-N 377.366 4.607 0 50 GJAA CCCCOC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67841339 NZPBPFKNVVKHEZ-UHFFFAOYSA-N 375.852 4.844 0 50 GJAA CCCc1nc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)cs1 67868205 PZEFTNRKOHFSHG-UHFFFAOYSA-N 380.517 4.506 0 50 GJAA Cc1ccc(-n2cc(CN(C)C[C@H]3CCCO3)c(-c3ccc(F)cc3)n2)cc1 72438204 YNLARSOBLPOWMV-JOCHJYFZSA-N 379.479 4.598 0 50 GJAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)N1CCC(c2ccccc2)CC1 95521387 FUDKAXBHWMXHNF-FQEVSTJZSA-N 380.488 4.656 0 50 GJAA CC(C)N(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cnn(C)c1 170620726 AXHXPKZFNUIOHL-UHFFFAOYSA-N 390.462 4.617 0 50 GJAA COc1ccccc1COC1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 179758231 GPNWZLSIMSYIOF-UHFFFAOYSA-N 396.462 4.671 0 50 GJAA O=C(c1cccc(-c2ccccc2F)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 1506407060 IKIAANSWGLIJMO-NRFANRHFSA-N 390.458 4.709 0 50 GJAA COC[C@H](C)N(Cc1cccc(OC)c1)Cc1cc(F)cc(C(F)(F)F)c1 1529192555 XPLRPUXAIXKGOP-AWEZNQCLSA-N 385.401 4.890 0 50 GJAA O=C1C[C@H](Cn2ccnc2-c2ccc3cccc(Cl)c3n2)CN1C1CCCC1 1857690235 XOCKATAFNDODIY-OAHLLOKOSA-N 394.906 4.543 0 50 GJAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 935589 SAEXPGJKRMDBJX-KRWDZBQOSA-N 389.451 4.936 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)cc1OC 996968 OOLOHQFRNSBCSM-UHFFFAOYSA-N 399.450 4.875 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)Nc2ccccc2Cl)cc1 1050161 MYWGCNSGTANONV-IRXDYDNUSA-N 384.863 4.508 0 50 GJAA Fc1cccc(F)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1 1080689 SYXUNISZGBAHRX-UHFFFAOYSA-N 380.423 4.900 0 50 GJAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c(C)c1 1225929 KHPICQHPOKRSSW-AYIBLLACSA-N 393.486 4.874 0 50 GJAA biogenic CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 2402877 ZTVBDHZXBOGEMK-UHFFFAOYSA-N 376.334 4.616 0 50 GJAA COc1cc2sc(NC(=O)c3ccc(Br)o3)nc2cc1Cl 2861635 RHVFXRDSXCTHEP-UHFFFAOYSA-N 387.642 4.566 0 50 GJAA CCCc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc2C)cc1 3983358 UHRGHZYRQGYUHQ-IRXDYDNUSA-N 386.517 4.901 0 50 GJAA CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 11702773 YBYYSOCIAMNCAB-FQEVSTJZSA-N 390.552 4.605 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1Cl 22458388 ZVQWHKDUHNTORJ-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA Cn1ncc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c1C1CC1 67852042 WXRPBZIPZGPMTF-UHFFFAOYSA-N 384.483 4.664 0 50 GJAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc1 82109134 GKTBCPJLRDPFAQ-GOSISDBHSA-N 376.456 4.581 0 50 GJAA CCCC1(CNC(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)CCC1 91724399 CVGOFMROJKEWFC-UHFFFAOYSA-N 399.516 4.872 0 50 GJAA CCCC[Sn](CCCC)(c1ccccc1)c1ccccc1 169810614 DTYWIPLKZHQUMW-UHFFFAOYSA-N 387.155 4.850 0 50 GJAA O=C(c1sc2ccccc2c1Cl)N1CCC(Nc2nccs2)CC1 190395725 FJYCQRJQUKITOE-UHFFFAOYSA-N 377.922 4.728 0 50 GJAA C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 222377079 MYCAZMDYGQEONG-KMFMINBZSA-N 392.425 4.558 0 50 GJAA C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1c1cccn1C 248093794 CQPDJPZKKZTSOW-MBSDFSHPSA-N 389.499 4.982 0 50 GJAA O=C(Cc1c(Cl)cccc1Cl)NCc1ncc(C(F)(F)F)cc1Cl 263639638 BMNSISWLQZVBGG-UHFFFAOYSA-N 397.611 4.920 0 50 GJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(OCc2cccnc2)CC1 826621348 JPBPXUFZKYOVQI-UHFFFAOYSA-N 390.458 4.709 0 50 GJAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 846233890 BKEAATOSBKLILH-MOPGFXCFSA-N 394.298 4.565 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N3CCC([C@H](O)c4cccs4)CC3)c2)o1 1506414699 STYHSWZYWQAWQB-NRFANRHFSA-N 381.497 4.902 0 50 GJAA CC(C)c1ccc(CN2CCC(C3CCN(C(=O)c4cc[nH]c4)CC3)CC2)cc1 1857740275 LMVLKITUJSDEIL-UHFFFAOYSA-N 393.575 4.903 0 50 GJAA O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccnc(-c2ccc(F)cc2)n1 1875265013 SQROTCDDJSXSFB-MHWRWJLKSA-N 397.456 4.581 0 50 GJAA Cc1ccc(CCCCC(=O)Nc2ncccc2OCc2ccncc2)cc1 2325709974 ALXZSMNLQIOPFJ-UHFFFAOYSA-N 375.472 4.716 0 50 GJAA O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc(O)c1 625897 RBBMXGGXOHFJBT-UHFFFAOYSA-N 377.010 4.806 0 50 GJAA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2Cl)NC(=O)N1 626444 DUUIQLCVZDSIRH-GOSISDBHSA-N 376.884 4.624 0 50 GJAA O=C(Cc1cccc2ccccc12)Nc1ccc(CCC(=O)N2CCCC2)cc1 803414 PNORJQHODKGTPI-UHFFFAOYSA-N 386.495 4.576 0 50 GJAA COc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1OC 841335 NSCYRSZBQMXGJO-UHFFFAOYSA-N 390.852 4.520 0 50 GJAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2[nH]1 1153912 URMMRJMFXLKFQI-AWEZNQCLSA-N 395.528 4.983 0 50 GJAA O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1F 1157464 ATGGONSZOSZOGT-UHFFFAOYSA-N 379.869 4.875 0 50 GJAA CC(=O)c1ccc(NC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1 2850875 YRAAWYDVQPJZMD-UHFFFAOYSA-N 384.439 4.931 0 50 GJAA COc1cc(Br)c([C@H]2CC(=O)Nc3c2ccc(C)c3C)cc1OC 4838734 OWYBMQNPYTZASZ-ZDUSSCGKSA-N 390.277 4.557 0 50 GJAA Cc1oc(-c2cccs2)nc1CN1CCC([C@H](O)Cc2ccccc2)CC1 11703380 DCZQSSWQASELPJ-HXUWFJFHSA-N 382.529 4.527 0 50 GJAA COC[C@H]1CCN(Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 11952066 FMUCJWTVQJTHST-KRWDZBQOSA-N 397.469 4.594 0 50 GJAA C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)[C@@H]1CCCO1 12383288 GBMVZTMAEXVOCC-KWQFWETISA-N 388.714 4.615 0 50 GJAA O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1C[C@@H]2C=C[C@H]1C2 15067721 FBKHDHFXFPTYQU-QISBLDNZSA-N 385.916 4.700 0 50 GJAA O=C(N[C@H](NCc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12 19315356 ODJOUOYZSGNMLC-KRWDZBQOSA-N 397.689 4.649 0 50 GJAA CC[C@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2cc(C)ccc2C)ccc1=O 20095648 CVLJQLRSZYWUFO-JOCHJYFZSA-N 389.499 4.734 0 50 GJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)c(OC)cc1OC 33270621 BYKCIMBGEWATJQ-AWEZNQCLSA-N 393.871 4.585 0 50 GJAA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 43056862 LZACOIXMKYKKHJ-MRXNPFEDSA-N 383.442 4.743 0 50 GJAA Cc1nc2cc(OCc3cc(C(=O)N(C)[C@@H](C)c4ccco4)no3)ccc2s1 67678786 RFONZJMWGTVMDK-LBPRGKRZSA-N 397.456 4.598 0 50 GJAA COc1c(C)cnc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C 71759613 KWCHQIGBJVFXRJ-GOSISDBHSA-N 381.303 4.587 0 50 GJAA O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71759928 VFWRWCSWRNYDRJ-HNNXBMFYSA-N 377.406 4.896 0 50 GJAA CO[C@@H]1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 72418255 YCWLQVJMEOYGDF-JOCHJYFZSA-N 379.479 4.598 0 50 GJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3[nH]c4c(F)cccc4c3C)[nH]c2c1 82109745 URCHSSINFUYMGH-SFHVURJKSA-N 376.435 4.777 0 50 GJAA C[C@H]1CC[C@@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 170608152 LEKUIOBLMBPCSS-WMZOPIPTSA-N 399.585 4.833 0 50 GJAA COCCn1cc(CCCC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 170625691 NSXOAQFYQFNRRG-UHFFFAOYSA-N 375.472 4.730 0 50 GJAA Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(Br)cc1 215851895 GBRCGBAHSOTRFJ-UHFFFAOYSA-N 393.082 4.647 0 50 GJAA in-vitro O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC[C@H]1CCO 429653123 MIHZPLUZVLMHRE-INIZCTEOSA-N 394.393 4.876 0 50 GJAA Cn1cc(NC(=O)N2CCC(c3cccc(Cl)c3)CC2)c(C(F)(F)F)n1 432406403 HKKDXNOOJFKPPN-UHFFFAOYSA-N 386.805 4.504 0 50 GJAA C[C@@H](NC(=O)NC[C@@H](C)N(C)c1ccccc1)c1ccc(-c2ccncc2)cc1 470503074 CYUDPPNJEZCCJK-RTBURBONSA-N 388.515 4.634 0 50 GJAA O=C(CC1CCCC1)NC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 952969737 INQIPDVFPVEDHQ-HNNXBMFYSA-N 397.346 4.542 0 50 GJAA Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)c1Cl 1857668663 ZGKVDMXBARLHNC-UYAOXDASSA-N 399.918 4.536 0 50 GJAA Cc1cc(C)c(OCc2ccccc2)c(-c2ccc3c(c2)S(=O)(=O)CC3)c1 1875322729 DNEXGEPNAJTXEZ-UHFFFAOYSA-N 378.493 4.879 0 50 GJAA Cc1cccc2c1CCN(c1nc3ccccc3c(=NCc3ccccc3)[nH]1)C2 2325866371 IUYUKAVHAQRQJZ-UHFFFAOYSA-N 380.495 4.535 0 50 GJAA COc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1 622389 GGXVXQMSRGMQDK-UHFFFAOYSA-N 381.859 4.858 0 50 GJAA CCCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 648332 YRSOHKKADZTGLI-UHFFFAOYSA-N 386.300 4.975 0 50 GJAA CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@H](c1ccccc1)C2 651743 IABKKIPCLOSGQV-INIZCTEOSA-N 383.513 4.936 0 50 GJAA COc1ccc(C(=O)[C@H](OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)cc1 1121554 MXJNZCSGBAYMIB-HSZRJFAPSA-N 389.451 4.542 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncn(Cc2ccccc2Cl)n1 1121664 CTLDAHVSKFOLPV-UHFFFAOYSA-N 395.772 4.643 0 50 GJAA Cc1cccc(NC(=O)c2c(NC(=O)c3ccncc3)sc3c2CCCC3)c1 1188136 MCZULZIPHFAASU-UHFFFAOYSA-N 391.496 4.835 0 50 GJAA O=C(CSc1ncccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 1299452 BVYHURLTAYMZMC-UHFFFAOYSA-N 388.452 4.529 0 50 GJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062863 QSHKVCWDOYDTJT-UHFFFAOYSA-N 385.847 4.878 0 50 GJAA Cc1ccc(F)c(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c1 2796473 OJSQAYPQXFTYEF-UHFFFAOYSA-N 393.340 4.638 0 50 GJAA Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2Cl)c1 2987805 AGZAKJCWYYOEPQ-UHFFFAOYSA-N 384.328 4.730 0 50 GJAA CCOC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 4653409 QJKNBPROOYWWBN-KRWDZBQOSA-N 380.271 4.726 0 50 GJAA Cc1ccc2c(c1)CN(Cc1cccc(OCCO)c1)C[C@@H](c1ccsc1)O2 15000413 IIKHHGQWPGKFNP-QHCPKHFHSA-N 395.524 4.564 0 50 GJAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@@H]1C[C@@H]1c1ccccc1Cl 109338293 BGZYSPYLXWJKSC-CLCXKQKWSA-N 381.863 4.810 0 50 GJAA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-c3ccc(C(C)C)nn3)c2)on1 299787176 TYCJKQYXPLNMMZ-FQEVSTJZSA-N 376.460 4.541 0 50 GJAA C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc2ccccc2o1 746645483 SUHBMOFCRQNALW-ZDUSSCGKSA-N 389.430 4.926 0 50 GJAA O=Cc1csc(Br)c1-c1c(C=O)csc1Br 690360 MBENIJOZFNGNTQ-UHFFFAOYSA-N 380.082 4.627 0 50 GJAA Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 1186735 YVKHRGWVBURJQE-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl 1220004 YORYGBNEWMHNAK-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA Cc1nn(C)cc1[C@H](C)NC(=O)c1sc2cc(OC(F)F)ccc2c1Cl 2794296 TVCKYIIKYSISGB-QMMMGPOBSA-N 399.850 4.689 0 50 GJAA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 4078495 KIJBHJXOGXTLGD-KRWDZBQOSA-N 375.241 4.676 0 50 GJAA c1ccc(N2CCN(C3CCN(Cc4cccc5ccccc45)CC3)CC2)cc1 4703456 LRLAZFFWUMMACV-UHFFFAOYSA-N 385.555 4.626 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 5068470 SMXUGRORWJHQJT-UHFFFAOYSA-N 394.858 4.918 0 50 GJAA S=C(NCc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 13330967 JOLCOKFNINDUNB-UHFFFAOYSA-N 391.327 4.725 0 50 GJAA c1ccc(C2=C(CN3CCOCC3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 22343292 VCCOGMNFGVUCRB-VWLOTQADSA-N 383.491 4.954 0 50 GJAA COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1OC 25781809 XFZIGCVQWKSTKY-JTSKRJEESA-N 376.412 4.539 0 50 GJAA O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccccc1Cl 35476393 QHJUKAIHHRUEGQ-KRWDZBQOSA-N 396.830 4.701 0 50 GJAA CCCc1c(OCCCSc2ccccc2C(=O)O)ccc(C(C)=O)c1O 39180211 PLJVMFXPBAWKJH-UHFFFAOYSA-N 388.485 4.807 0 50 GJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2c(C)[nH]c3c2C(=O)CCC3)C1 71753864 QGANFCQANYGWPP-GOSISDBHSA-N 378.516 4.636 0 50 GJAA CCOc1ccc(-c2ccnc(NCc3ccc(SC)cc3)n2)cc1C(=O)O 77517664 SELVQZWEULDSMO-UHFFFAOYSA-N 395.484 4.575 0 50 GJAA CC(C)n1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 170613482 GNZVPDSPCKPLRR-REWPJTCUSA-N 395.591 4.926 0 50 GJAA O=C(Cc1cccc(Br)c1)O[C@H](c1ccccc1)c1ccncc1 170617060 HWVIAQFJUDFTGE-HXUWFJFHSA-N 382.257 4.719 0 50 GJAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 194337681 TWIGTZZQQOVRAI-SFHVURJKSA-N 389.377 4.792 0 50 GJAA C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@@H]1C(=O)O 381888248 CJXLKGZDLUALHA-OFNKIYASSA-N 379.456 4.559 0 50 GJAA Cc1nc([C@H](C)N(C)Cc2cccc(OCCCn3ccnc3)c2)c(C)s1 952975354 PQDGTEFJAZZMBW-INIZCTEOSA-N 384.549 4.619 0 50 GJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3C4=CC=C(C5=CC(=O)OC5)[C@@]4(C)CC[C@@H]32)C1 1772492360 SVPNYAGEEKDKCQ-MNDBCHTKSA-N 396.527 4.900 0 50 GJAA COc1cc(OC)c2ncnc(N[C@H](C)c3ccc4nc(C5CC5)[nH]c4c3)c2c1 2325878725 ZLUFIYXTSSGEML-GFCCVEGCSA-N 389.459 4.574 0 50 GJAA Cc1nc(Sc2nnc3sc4ccccc4n23)c2c3c(sc2n1)CCC3 628319 XVHWYEGDNZNUQX-UHFFFAOYSA-N 395.538 4.897 0 50 GJAA CC(C)CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 633183 WABMXCJBCOSEOK-UHFFFAOYSA-N 375.852 4.560 0 50 GJAA C[C@H](C[C@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 1022325 AMSBUBOVKJWMOA-HXOBKFHXSA-N 398.470 4.543 0 50 GJAA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1C 1926282 NYZXBKMVJYQRMI-UHFFFAOYSA-N 397.496 4.986 0 50 GJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 4176565 BFNRBQXBRYDVKQ-IFMALSPDSA-N 391.858 4.986 0 50 GJAA COC[C@H](C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 4820606 YPMVDJPHFFYECO-KRWDZBQOSA-N 397.478 4.729 0 50 GJAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 12469354 YBMIMVVVVBTWKN-LJQANCHMSA-N 386.511 4.982 0 50 GJAA CCN(CCCCO)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 13829397 NSIINCVTDAEXKV-UHFFFAOYSA-N 394.563 4.870 0 50 GJAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cn(C)nc1-c1cccc(Cl)c1 15071018 PUVZUJHFUFZVMV-UHFFFAOYSA-N 382.870 4.993 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2nc3ccc(F)cc3[nH]2)C1 19217732 BXAOYMISOHGHPX-AWEZNQCLSA-N 383.492 4.519 0 50 GJAA CCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 36620792 NJRNQQNXIVLWFC-KVWWFHCMSA-N 392.927 4.556 0 50 GJAA O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CC2CCC1CC2 1319766149 PLCPWCSOFYRJAH-PVCYVWKFSA-N 385.508 4.911 0 50 GJAA Cn1ccc2ccc(C(=O)N3C[C@H](C(C)(C)C)O[C@H](c4ccccc4)C3)cc21 1529178894 UFKUKTGZYYGWMF-FCHUYYIVSA-N 376.500 4.807 0 50 GJAA COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)cc1Cl 668831 GGMVOTQJBUXCGV-LLVKDONJSA-N 384.259 4.725 0 50 GJAA CC1(C)Cc2nc3sc4c(NCc5ccccc5)ncnc4c3cc2CO1 755411 KZYWGNRGKVCTGV-UHFFFAOYSA-N 376.485 4.703 0 50 GJAA O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1ccccc1 952359 DGFGYGBIXFVFJA-UHFFFAOYSA-N 397.297 4.936 0 50 GJAA CCOc1ccc(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 1000380 DIWDNCMBLVESJU-UHFFFAOYSA-N 396.512 4.807 0 50 GJAA COc1ccc(CNC(=O)c2sc3cccc(F)c3c2Cl)cc1OC 1053619 MISNBQJXUGVXMZ-UHFFFAOYSA-N 379.840 4.641 0 50 GJAA CCOC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n2ccc(C)cc12 1095028 SEQJTXZDPSFHAV-UHFFFAOYSA-N 390.361 4.696 0 50 GJAA COc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1Cl 1159494 BOYGUHLBRQHINE-UHFFFAOYSA-N 398.684 4.745 0 50 GJAA CCCc1cc(=O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 2489980 KLZVFZOSQNKUSU-UHFFFAOYSA-N 377.875 4.886 0 50 GJAA COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 2843112 AGMVEWYAVGTVSV-IAGOWNOFSA-N 375.259 4.740 0 50 GJAA COc1ccc(CNCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 4026918 PHQBWVFXRVFTIG-XMMPIXPASA-N 383.532 4.711 0 50 GJAA biogenic COc1cc(CNCc2cccnc2)ccc1OCc1c(F)cccc1Cl 4413613 TZLIJAUNGIODBZ-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA CC(C)(C)C1CCC(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)CC1 5073667 SSUFHVFVSYVUCS-NSQNTRMNSA-N 387.608 4.924 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2F)CC1 9341401 XHSHNFMHWBJQBG-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA Cc1nc(N2CCC(N[C@@H]3CCCc4ccccc43)CC2)nc2ccc(F)cc12 11967945 FKBOBWNHVKBYLI-JOCHJYFZSA-N 390.506 4.713 0 50 GJAA Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)s1 12313781 WYSQRJXQAMIILB-HNNXBMFYSA-N 396.478 4.717 0 50 GJAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Cc2ccc(F)cc2Cl)c1C 12314035 HWWCGMHHWQUPAT-CQSZACIVSA-N 385.870 4.702 0 50 GJAA CCc1ccc(CN(C)Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)nc1 12317420 QMZOAQYYOGXXCO-UHFFFAOYSA-N 386.499 4.828 0 50 GJAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(c2ccccc2)C[C@@H]1C 15064315 SLQLHSGZLAVRNB-HNNXBMFYSA-N 383.442 4.639 0 50 GJAA CC1=Nc2ccccc2N=C(NC(=O)CN2CCCCCC2)[C@@H]1c1ccccc1 18180543 GGEYSCGUTBSVDO-QHCPKHFHSA-N 388.515 4.599 0 50 GJAA CN(Cc1nccs1)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl 39478951 CSUGHXPIKZBLHU-KRWDZBQOSA-N 386.904 4.683 0 50 GJAA CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(F)ccc12)C(C)C 63856760 STTGMIKTZWFXHR-UHFFFAOYSA-N 380.467 4.825 0 50 GJAA O=C(CC[C@H]1CCCCO1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 110635485 QGHHBVQGFWVCOR-MRXNPFEDSA-N 376.884 4.537 0 50 GJAA O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622882 SQRAMJFIJXEXIN-UHFFFAOYSA-N 385.704 4.800 0 50 GJAA Clc1ccc(-c2cc3nc[nH]c(=N[C@@H]4CC[C@@H]5CNCC[C@@H]5C4)c3s2)cc1 1875337391 YUVJCERLOKBWFY-BFYDXBDKSA-N 398.963 4.624 0 50 GJAA COc1ccc(CCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 640110 HVVAHMFOIBYQAI-UHFFFAOYSA-N 384.328 4.594 0 50 GJAA O=C(CSC1c2ccccc2Oc2ccccc21)Nc1ccc(C(=O)O)cc1 1110297 DVDRLCOHRHUAGU-UHFFFAOYSA-N 391.448 4.952 0 50 GJAA C[C@H](CNC(=O)Nc1ccccc1)OC(=O)Nc1ccc(Cl)c(Cl)c1 2167945 ALAHKWKNVOXAEQ-LLVKDONJSA-N 382.247 4.752 0 50 GJAA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5cc(C)nn5C)nc4c23)C1 2798609 ZYHFTZZNLCYJJC-ZDUSSCGKSA-N 394.548 4.589 0 50 GJAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2cc(Cl)ccc2Cl)cc1 3623702 JRZFZHMDODLMIS-KRWDZBQOSA-N 396.270 4.728 0 50 GJAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1Br 9252464 YWQRRMXEEGPPON-UHFFFAOYSA-N 399.244 4.855 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC[C@@H]1CCc1ccccn1 11933396 POHUUGCOXLUGOD-LJQANCHMSA-N 375.472 4.728 0 50 GJAA Fc1ccc(-n2cc(CNC3CCOCC3)c(-c3ccccc3Cl)n2)cc1 12298460 GECTZDKGTVSPDM-UHFFFAOYSA-N 385.870 4.600 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccco2)C1)Nc1ccc(C(F)(F)F)cc1 12299143 YQBLNIVTGJSNHP-OAHLLOKOSA-N 380.410 4.929 0 50 GJAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)no1 12441914 XDTMMUUHRZICSA-IBGZPJMESA-N 376.456 4.686 0 50 GJAA Cc1ccc(-n2cc(CN(C)C3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 12443316 VEXNAGHAXHWZIE-UHFFFAOYSA-N 379.479 4.598 0 50 GJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCSCC2)CC1 13594547 SIJWYCVGHMXNCT-UHFFFAOYSA-N 375.578 4.550 0 50 GJAA COc1cc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)ccc1F 15003287 HAOOTSPRPSNEAH-KRWDZBQOSA-N 383.442 4.743 0 50 GJAA O=C(c1cc(-c2cn[nH]c2)nc2ccccc12)N1CCC[C@@H](c2ccccc2)C1 19838240 GETNOPULKUSQCE-GOSISDBHSA-N 382.467 4.645 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 23153492 DFXOFXXOCZILOK-HXUWFJFHSA-N 386.451 4.609 0 50 GJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)no1 35511359 FBBFRSBLVSTTHD-INIZCTEOSA-N 378.270 4.759 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1OC 36352142 XBDHREMDDJXHEO-YKSBVNFPSA-N 386.451 4.946 0 50 GJAA Cc1cc(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c(C)o1 67562592 WSVOEWCEFACZTB-UHFFFAOYSA-N 397.858 4.957 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H]1CCO[C@@H](C)C1)CC2 170592989 VIBMWMUNMXVJMU-PONJGIIJSA-N 387.545 4.528 0 50 GJAA O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1C[C@H]1c1c(F)cccc1F 170628978 IXJQBDOWBMYQSL-CHWSQXEVSA-N 390.773 4.515 0 50 GJAA Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 263615190 BBLDIMJXNFQMED-LJQANCHMSA-N 392.846 4.833 0 50 GJAA COc1cc(Cl)c(S(=O)(=O)Nc2cccc3ccccc23)cc1Cl 1775971007 CHAIJBZUJGKMLT-UHFFFAOYSA-N 382.268 4.956 0 50 GJAA CCSCc1nnc2sc(CC(c3ccccc3)c3ccccc3)nn12 1775972316 VAAAQDVCQIXOHP-UHFFFAOYSA-N 380.542 4.814 0 50 GJAA Cc1ccccc1C[C@H](CO)CN[C@@H](c1ccccc1Br)C(C)C 2325841754 FNWDLJFAMDDVAY-LAUBAEHRSA-N 390.365 4.895 0 50 GJAA COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)C(C)C 1120710 KNFPIYBIMNBVDH-UHFFFAOYSA-N 381.259 4.849 0 50 GJAA O=C(Nc1ncnc2sc3c(c12)CCCC3)c1ccccc1Br 1162823 KFSLRFWIPVMBNT-UHFFFAOYSA-N 388.290 4.585 0 50 GJAA O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1ccccc1F 1308594 ROENLHRVPBQENO-UHFFFAOYSA-N 378.429 4.753 0 50 GJAA Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)cc1Br 2880188 ARMRWLBXWHMVIF-UHFFFAOYSA-N 386.648 4.876 0 50 GJAA CCOc1cc(CNc2cccc(NC(=O)c3ccccc3)c2)ccc1OC 4842813 KERBPLAADXAEMH-UHFFFAOYSA-N 376.456 4.958 0 50 GJAA O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccccc1 9636186 GQVOPKFMIZCLDD-UHFFFAOYSA-N 378.478 4.627 0 50 GJAA CC(C)N(Cc1nccn1C)C(=O)C[C@H](c1ccccc1)c1ccccc1F 11664669 HRTLHROUUAKRER-HXUWFJFHSA-N 379.479 4.518 0 50 GJAA Cc1cn2c(C(=O)N3CCC[C@H](Nc4ccc(C(C)C)cc4)C3)csc2n1 12303394 WTVGPFHCBYJENO-SFHVURJKSA-N 382.533 4.544 0 50 GJAA S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19809854 MQXIYTFCVNTBIT-UHFFFAOYSA-N 393.600 4.601 0 50 GJAA in-vitro CCn1c2ccccc2c2cc(CN3CCN(C(=O)CC(C)C)CC3)ccc21 20215192 ZCBGNLFDJCZAAT-UHFFFAOYSA-N 377.532 4.505 0 50 GJAA CC(C)Cn1cncc1CNC(=O)Nc1ccc(SCc2ccco2)cc1 96133479 KESTZTJRUGNOEZ-UHFFFAOYSA-N 384.505 4.746 0 50 GJAA Cc1ccc(N2CCCC2=O)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 96140290 FXFDNQNSVCYWCJ-IBGZPJMESA-N 381.476 4.864 0 50 GJAA CC(C)(C)OC(=O)N1C[C@H]2C(N(Cc3ccccc3)Cc3ccccc3)[C@@H]2C1 117188375 XAJYRABZEDHMCO-NHCUHLMSSA-N 378.516 4.554 0 50 GJAA COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1cccc(Cl)c1 170615707 MGPPTZWDYJLSOQ-GOSISDBHSA-N 380.831 4.933 0 50 GJAA Cc1ccc2[nH]c(C(=O)Nc3cc(C(=O)NCC(C)C)ccc3C)c(C)c2c1 821319323 VIRXPNQIWSGKJR-UHFFFAOYSA-N 377.488 4.731 0 50 GJAA CCc1cccc(NC(=O)CCC(=O)Nc2ccccc2CN2CCCCC2)c1 952870310 VOYFKZGJEOZSFJ-UHFFFAOYSA-N 393.531 4.592 0 50 GJAA CSc1nccn1-c1ccc(C(=O)Nc2cc(C)c(C(C)=O)c(C)c2)cc1 1457987856 ZTYKJYHPFBCVKH-UHFFFAOYSA-N 379.485 4.666 0 50 GJAA O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1 652097 XSTKFAIXWQXXJY-UHFFFAOYSA-N 377.238 4.964 0 50 GJAA CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 1118534 LSRFBIBYDMEEQJ-UHFFFAOYSA-N 382.243 4.531 0 50 GJAA O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 2855744 IYIMGMJXODSWQK-UHFFFAOYSA-N 384.848 4.554 0 50 GJAA aggregator Cc1ccc(NC(=O)Nc2nnc(SCCOc3ccccc3)s2)cc1 2977326 FHTMOSJWJICWBV-UHFFFAOYSA-N 386.502 4.662 0 50 GJAA CCOc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OCC)cc2)cc1 4542677 FUFIMTYTHMUEMV-UHFFFAOYSA-N 384.476 4.622 0 50 GJAA O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccco1 4724845 BWINNIQKHYHVGB-KAOXLYBCSA-N 383.447 4.518 0 50 GJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 5069045 FGGMNDOWIJXALV-UHFFFAOYSA-N 392.455 4.981 0 50 GJAA CC(C)(C)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)cc1 12112163 HMBPEQCNAXBMKE-DEOSSOPVSA-N 383.507 4.581 0 50 GJAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3c[nH]c4ccccc34)C2)cc1 12757900 HKXCWBAEABWSOQ-OAQYLSRUSA-N 391.559 4.563 0 50 GJAA Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCC(C)CC2)o1 15860334 BRQQKLZYMKYMAJ-PJVWNMJMSA-N 384.564 4.694 0 50 GJAA Cc1cnn(CCCN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 67723757 AHRUNSGFDATQHQ-UHFFFAOYSA-N 397.906 4.502 0 50 GJAA COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 169712316 DKJCJNAFDPVDRB-UGKGYDQZSA-N 393.393 4.611 0 50 GJAA Cc1c(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c(=O)oc2ccccc12 170654508 CGVNRLHFPJLSAY-UHFFFAOYSA-N 389.411 4.527 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239275116 BFBWEKPADQPKTF-CYRTVHNOSA-N 393.141 5.788 0 50 GJAA COCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 252478516 AOSBVKWACVSFOF-UHFFFAOYSA-N 392.430 4.785 0 50 GJAA O=C(NCCn1ccc2ccccc21)N(Cc1ccccn1)C1CCCCC1 426488465 RDQMQUXPBXSTRO-UHFFFAOYSA-N 376.504 4.581 0 50 GJAA CCCc1ccc(-c2ccc(C(=O)N(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)cc2)cc1 1529120586 DVZLYVVYWHTUHV-WAPCQROESA-N 377.528 4.928 0 50 GJAA CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)CCO1 1875258655 NWDLCGOFEMASRS-XYJFISCASA-N 386.467 4.786 0 50 GJAA Cc1ccnc(-c2nc([C@H](C)Oc3ccc(Br)cc3Cl)no2)c1 1875331338 FWXBSTNZEKLMIC-JTQLQIEISA-N 394.656 4.996 0 50 GJAA CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 1165047 WQDGHCOODMDFQK-QHCPKHFHSA-N 387.435 4.734 0 50 GJAA O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 1423118 OPIFHJUGLAMAGY-UHFFFAOYSA-N 386.476 4.523 0 50 GJAA Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)NC3CCN(C)CC3)c2C)c1 2867659 UXBSBIRKSZVLSA-UHFFFAOYSA-N 387.527 4.651 0 50 GJAA CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 3626940 HETRQTLKVFABGG-KDOFPFPSSA-N 389.879 4.565 0 50 GJAA FC(F)(F)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2 19363263 VYYRFBRPGFAPCM-UHFFFAOYSA-N 393.478 4.603 0 50 GJAA in-vitro COc1cc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)ccc1F 20781962 BTDDYHATGLCJBW-IBGZPJMESA-N 379.479 4.912 0 50 GJAA O=C(Cc1cccnc1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71774767 LCQLIRVWRXRHQI-INIZCTEOSA-N 376.422 4.514 0 50 GJAA C[C@H](Sc1ncnc2[nH]cnc12)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 127897448 YXBXFWUDISWNAN-ZETCQYMHSA-N 393.259 4.563 0 50 GJAA CCc1ccc(NC(=O)c2ccc3c(c2)N(CC)[C@@H]2CCCCCN2C3=O)cc1 169766001 NNXJSXWQCWIRAK-QFIPXVFZSA-N 391.515 4.684 0 50 GJAA Cc1ccccc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 170593863 CUEXLORTMCGJOL-SFHVURJKSA-N 378.394 4.743 0 50 GJAA CCCCCC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 239338716 LAZUKGYTJHECKL-NPHXMPSESA-N 394.559 5.328 0 50 GJAA COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 248121085 VBYFJVGKRCTMDW-CAOCKLPOSA-N 395.543 4.881 0 50 GJAA O=C(NCC1CCCCCCC1)C1CCN(c2ccc3cccc(O)c3n2)CC1 252537782 MIAOUJLGBAMRTJ-UHFFFAOYSA-N 395.547 4.634 0 50 GJAA O=C(c1ccnn1C1CCCC1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 329314082 GXELUNWBEJIPPD-HXUWFJFHSA-N 389.503 4.756 0 50 GJAA COc1c(Cl)cc(Cl)cc1-c1nccn1[C@@H]1CCOC2(CCOCC2)C1 1857710892 WEKXIUPYASLXLV-CQSZACIVSA-N 397.302 4.766 0 50 GJAA C[C@H](Cc1ccc2ccccc2c1)NC(=O)c1csc(Nc2ccccn2)n1 2325839801 FSPCXEMGXNUIFN-OAHLLOKOSA-N 388.496 4.796 0 50 GJAA CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(C2CCCC2)cc1 2325854407 CHUQFCUFAAQBOG-HSZRJFAPSA-N 394.515 4.503 0 50 GJAA COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 1186572 HGOYCSDGPBCMQD-UHFFFAOYSA-N 388.423 4.829 0 50 GJAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)cc1 4819654 VZLTVBIWGAUXNN-UHFFFAOYSA-N 392.842 4.508 0 50 GJAA Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 12477915 RUQWMGNFZOTNIS-JOCHJYFZSA-N 384.479 4.792 0 50 GJAA CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)s1 23633982 VHXJDOGNJYMPPB-UHFFFAOYSA-N 376.334 4.519 0 50 GJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1 33270635 QSZKWJPXYRORNG-AWEZNQCLSA-N 378.270 4.677 0 50 GJAA CCOC(=O)c1cn([C@@H](C)Cc2ccsc2)cc(Oc2ccccc2)c1=O 55053017 VOKVFWRYCBNKIO-HNNXBMFYSA-N 383.469 4.683 0 50 GJAA CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@@]21[C@]1(OC(=O)C2=C1CCC=C2)[C@@H]3CCC 103038961 DZMFTLLDUYBHLI-VVTJZGLHSA-N 380.484 4.922 0 50 GJAA O=C(NCc1nnc(-c2ccccc2)s1)N1CCCCC[C@H]1c1ccco1 153445763 MFQPRPZUMWYKJK-INIZCTEOSA-N 382.489 4.625 0 50 GJAA COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C 252483113 DVHOSUSBMLNBDA-HXUWFJFHSA-N 377.488 4.678 0 50 GJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc(Cl)cc(Cl)c3Cl)C[C@H]2C1 1529161232 DFGPONZUIKDEAY-WVKUQDAKSA-N 389.754 4.838 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCCC12CCCC2 1875265402 RJLBWIYJYJIGIP-UHFFFAOYSA-N 396.491 4.684 0 50 GJAA C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]nc3C3CCOCC3)c2)C1 1875266344 JYCQJCHBPRZXAX-JXFKEZNVSA-N 397.519 4.651 0 50 GJAA Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(Oc2cnccn2)cc1 2325712319 HRLUAANFFVHAFB-UHFFFAOYSA-N 377.444 4.718 0 50 GJAA O=C(Nc1ccc(Oc2nccs2)c(Cl)c1)c1csc2cncn12 2325743465 LMPOSSFKBHJSGF-UHFFFAOYSA-N 376.850 4.550 0 50 GJAA Cc1c([C@@H](C)NC(=O)Nc2ccc([C@@H]3CCC(=O)N3)cc2)oc2ccccc12 2325782073 UTCYNCWUMHJLIC-KDOFPFPSSA-N 377.444 4.575 0 50 GJAA O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2ccc(F)cn2)CC1 2325876429 VJVMDUGPHRMIIU-UHFFFAOYSA-N 382.460 4.633 0 50 GJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 943480 LDNFKGRACXOJOG-BCNIOPEESA-N 399.512 4.710 0 50 GJAA Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 1079361 ZPHAJYLLFDERIJ-UHFFFAOYSA-N 386.476 4.669 0 50 GJAA Cc1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)C[C@@H]2C)cc1 1117686 VGXVHTATCWJBMY-HNNXBMFYSA-N 393.478 4.921 0 50 GJAA CCOC(=O)c1ccc(CSc2nnc3cc(C)c4ccccc4n23)cc1 1924366 DLBAOQMMLLTQTN-UHFFFAOYSA-N 377.469 4.660 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1OC 5498383 ISHNYCZNSRAUQS-LAUBAEHRSA-N 386.879 4.883 0 50 GJAA COc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)ccc1C 11841290 PDDNFRHINCIARC-XMMPIXPASA-N 384.564 4.512 0 50 GJAA COc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1OC 12049470 NKQHOMVFEXOFCG-FQEVSTJZSA-N 397.515 4.586 0 50 GJAA O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2O[C@H](c2ccccc2)C1 12281928 GHMOAFCCLHTQTL-QHCPKHFHSA-N 397.430 4.569 0 50 GJAA C[C@H](NC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12)c1nccs1 12306074 YUNNEXALDNNWCV-JTQLQIEISA-N 388.905 4.664 0 50 GJAA COc1ccc(-c2n[nH]cc2CNCc2nc(-c3cccs3)oc2C)c(F)c1 12313966 ABSYDMZUBYLPTQ-UHFFFAOYSA-N 398.463 4.539 0 50 GJAA Cc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12703373 AKVIBMRJYDVWKB-JOCHJYFZSA-N 384.479 4.792 0 50 GJAA CCc1ncc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cn1 63870275 WDBMMDWIHUWNQA-UHFFFAOYSA-N 382.467 4.526 0 50 GJAA Cc1nc(C(C)C)sc1C(=O)N(CCc1ccccc1)Cc1cccnc1 91409972 RDRJTMMPVCLZNB-UHFFFAOYSA-N 379.529 4.855 0 50 GJAA COCc1cc(NCc2cccc(OCc3ccccn3)c2)nc(C(C)(C)C)n1 123731366 QCDZJTBIWORCKD-UHFFFAOYSA-N 392.503 4.507 0 50 GJAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1csc(-c2ccccc2)n1 170593175 CPMQMKKQNYXNHE-AZUAARDMSA-N 378.497 4.708 0 50 GJAA O=C(NC1CCSCC1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 170799032 VBDUSJRWHZVVKN-UHFFFAOYSA-N 399.903 4.682 0 50 GJAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1cccnc1N1CCCC1 225450275 RWGRWQJHWKNGJU-UHFFFAOYSA-N 396.491 4.529 0 50 GJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257356730 JYBLPRVSUYUPPM-ZJDFJKAMSA-N 385.592 4.878 0 50 GJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4CC(C)C)[C@H](c3ccco3)C2=C1O 888089588 PPFCTLHEBFCMFN-OAQYLSRUSA-N 389.455 4.740 0 50 GJAA O=C(N[C@@H]1CCc2cc(C(=O)O)ccc21)OCC1c2ccccc2-c2ccccc21 1857783442 PASAQZHQCAKEMN-HSZRJFAPSA-N 399.446 4.911 0 50 GJAA COc1ccc(-c2cc(C(=O)N3C[C@@H]4CC=CC[C@H]4C3)nn2-c2ccccc2)cc1 1875260380 HQUDEVMUUWAQAZ-PMACEKPBSA-N 399.494 4.586 0 50 GJAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1csc(Cc2ccccc2)n1 1875309518 ANXJJNMFZRWGIO-UHFFFAOYSA-N 387.468 4.520 0 50 GJAA O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCC1 1060999 JYQWBICLFCVXHF-UHFFFAOYSA-N 390.508 4.832 0 50 GJAA CC(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccccc1 1158377 FPBIXNSSRPFVMU-UHFFFAOYSA-N 389.480 4.533 0 50 GJAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1 1164345 KRMCMSNHCLZQFO-UHFFFAOYSA-N 394.496 4.665 0 50 GJAA COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 2998037 BAPMEEYRNUVPDW-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA COc1cc2c(cc1NC(=S)NC(=O)c1cccs1)oc1ccccc12 4624083 DDOGBGORYQTBJO-UHFFFAOYSA-N 382.466 4.783 0 50 GJAA O=C(NCc1ccccc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 4869904 LYMLFYURWQFUNU-UHFFFAOYSA-N 389.842 4.987 0 50 GJAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)C1CCCC1 12074623 QCBGFNSQARJFNN-UHFFFAOYSA-N 396.497 4.609 0 50 GJAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cccc3ccccc23)CC1 12439082 HNGZNRFAIQEIOK-JOCHJYFZSA-N 395.543 4.944 0 50 GJAA COc1ccccc1/C=C/CN1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 12571680 KXVILSQYWCNIOH-VQFGERMISA-N 396.506 4.978 0 50 GJAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)cc1 13595006 DJGGCVILZMBSLH-OAHLLOKOSA-N 396.487 4.764 0 50 GJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)Cc1cccs1 15063977 XAMZHROOJYFNKH-GOSISDBHSA-N 379.529 4.615 0 50 GJAA CC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19832609 HKRAMIQMYUYFCC-UHFFFAOYSA-N 384.479 4.700 0 50 GJAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 45796257 RWGLUBLPUIVSPT-LAUBAEHRSA-N 392.842 4.770 0 50 GJAA c1ccc(-c2ccc(-c3noc4c3CN(Cc3noc(C5CC5)n3)CC4)cc2)cc1 67843424 OFCVUOAJMORGMT-UHFFFAOYSA-N 398.466 4.827 0 50 GJAA COc1ccc2cc(CN(C)Cc3cc[nH]n3)c(-c3ccc(Cl)cc3)nc2c1 72436353 ATBFQVVMACZXAV-UHFFFAOYSA-N 392.890 4.919 0 50 GJAA Cc1ocnc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cc(F)ccc1F 95503946 MBGYHGPMZANDRC-OAQYLSRUSA-N 393.393 4.530 0 50 GJAA O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCCCC[C@@H]1c1ccncc1 170607613 CZKMBGIIUMIBMW-OAQYLSRUSA-N 381.495 4.969 0 50 GJAA Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 175258204 QOTUQRXZKPDURF-UHFFFAOYSA-N 380.375 4.603 0 50 GJAA COc1ccccc1-c1csc(C2CCN(C(=O)c3csnc3C)CC2)n1 190435052 OJLLSSCYICZCQB-UHFFFAOYSA-N 399.541 4.603 0 50 GJAA O=C(NC1CCCCC1)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 223244740 VVYNOTLPOWYDAM-INIZCTEOSA-N 395.450 4.778 0 50 GJAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cnn(C)c1C)[C@@H]2O 229893766 CYLDEGQGXAFYIQ-DQTMNYIRSA-N 392.543 4.648 0 50 GJAA CCCCCC[C@@]1(O)[C@@H](CCC)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 239297075 DRYQTNXMKBICIH-LFOFZZIDSA-N 393.615 6.826 0 50 GJAA Cc1cc(C)nc(-c2cccc(C(=O)N3CC(Oc4c(C)cccc4C)C3)c2)c1 299768098 ITHYABUBEMRDGG-UHFFFAOYSA-N 386.495 4.886 0 50 GJAA Clc1ccc2nc([C@@H]3CCCN3Cc3cc(-c4ccncc4)no3)[nH]c2c1 1506408058 BFCDVKIMJHEISG-IBGZPJMESA-N 379.851 4.603 0 50 GJAA C[C@@H](NC(=O)NCc1cccc2ccc(Cl)cc12)c1ccc2c(c1)CC(=O)N2 1875320247 MLIHAVQALMAUSJ-CYBMUJFWSA-N 393.874 4.548 0 50 GJAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(-c3ccccc3C)c2)C1=O 2356148122 IHOIEVFKJLSKCP-RUZDIDTESA-N 390.527 4.669 0 50 GJAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 680920 TUPNTLOORWAEQU-GFCCVEGCSA-N 376.909 4.989 0 50 GJAA O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Cl)cc1 1789339 VBFIRIWUBVPJLG-UHFFFAOYSA-N 379.843 4.807 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(Cc2ccsc2)CC1 12429247 HBKLUWUETIQKSN-UHFFFAOYSA-N 393.512 4.786 0 50 GJAA OCC1(CCCc2ccccc2)CCN(Cc2cccn2-c2nccs2)CC1 12465430 YHAGBOGKTWMGML-UHFFFAOYSA-N 395.572 4.531 0 50 GJAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19827568 XHQJYSCHUQBXDN-LOSJGSFVSA-N 396.534 4.724 0 50 GJAA COCC1(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)CCC1 71771110 BTOKGUMFAJFFGB-MRXNPFEDSA-N 383.454 4.693 0 50 GJAA CCCSc1ccccc1N1CCN(CCC[C@H](O)c2ccccc2)CC1 96026826 ZZGBHSVGMXXTPX-QFIPXVFZSA-N 384.589 4.825 0 50 GJAA Cc1c(C(=O)N2CC[C@@H](C)Sc3ccc(Cl)cc32)cnn1-c1ccncc1 131271966 LLDULYHLFSHGRG-CYBMUJFWSA-N 398.919 4.760 0 50 GJAA O=C1C[C@H](c2ccco2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc23)O1 253414990 ZHQUPXUOCDDBEC-OAHLLOKOSA-N 376.339 4.633 0 50 GJAA biogenic CO[C@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@H]3c3ccccc3)cc2C1 752931655 FSDMERINJVFVSS-UKILVPOCSA-N 398.506 4.980 0 50 GJAA C[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)N(C)c1ccccc1 915647128 UOFIKXVIZXSQEI-SFHVURJKSA-N 396.494 4.552 0 50 GJAA C[C@@H](NC(=O)c1ccc(Oc2ccncc2)cc1)c1ccc(-c2cncnc2)cc1 1875254690 JTBORNWAZZIOGK-QGZVFWFLSA-N 396.450 4.822 0 50 GJAA C[C@@H](NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(C)(F)F)cc1 1875330118 OTOBUXBMCCVBEO-OAHLLOKOSA-N 397.425 4.658 0 50 GJAA CC1(C)C[C@H](C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CCO1 627731 KCFPWFWFSQXBOD-QGZVFWFLSA-N 392.451 4.613 0 50 GJAA biogenic O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Br)cc1 637469 HGYLPCGNGLZREN-UHFFFAOYSA-N 384.060 4.514 0 50 GJAA O=Cc1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 637828 YFDRIYDFHGHWOQ-UHFFFAOYSA-N 378.653 4.949 0 50 GJAA COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 1104451 NTEWVIGKKBEUDS-UHFFFAOYSA-N 396.468 4.733 0 50 GJAA Cc1cc(C(=O)CSc2ccc(F)cc2)cc(C)c1OC(=S)N(C)C 1400660 DNNPCNNECGAKDP-UHFFFAOYSA-N 377.506 4.643 0 50 GJAA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc(Cl)cc1 2186839 XLWWKDKDBTTXAK-GOSISDBHSA-N 379.843 4.751 0 50 GJAA Cc1ccc([S@](=NS(=O)(=O)c2ccc(C)cc2)Nc2ccccc2)cc1 4570041 VZIBNHBZFGQTOU-RUZDIDTESA-N 384.526 4.880 0 50 GJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 12004402 PGZXIUZHHXSDOG-CQSZACIVSA-N 394.368 4.971 0 50 GJAA Cc1ccccc1CN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12202110 BSTBOOUJJGOXAG-IBGZPJMESA-N 396.962 4.708 0 50 GJAA COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(C1CCCC1)C2 12333240 QBMVRUKHGAULPR-UHFFFAOYSA-N 383.488 4.516 0 50 GJAA CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 13330173 GYNPUAXIHYJDBR-HNNXBMFYSA-N 388.714 4.532 0 50 GJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1OC 13331426 BTHBYSAJDQWTQE-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA C[C@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1cccc2ccccc12 14979590 NSHNRRJNGVIXTF-HNNXBMFYSA-N 390.874 4.624 0 50 GJAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 14992787 ABSNUFBECMPJHP-QHCPKHFHSA-N 395.449 4.636 0 50 GJAA O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C(F)(F)F)ccc1Cl 20727180 WNKUDKCZRCYYAD-UHFFFAOYSA-N 382.769 4.738 0 50 GJAA CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)on1 72168327 IJLUHYFWVNQROD-FQEVSTJZSA-N 390.483 4.761 0 50 GJAA CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 252458397 FJRXLIOAIYSABX-GUYCJALGSA-N 382.485 4.861 0 50 GJAA Cc1ccc2c(C)nc(N3CCC[C@H](N[C@@H](C)CCCC(C)(C)O)CC3)nc2c1 299770839 RVRGWACUIKBZQQ-ICSRJNTNSA-N 398.595 4.525 0 50 GJAA Fc1ccc(-c2csc(CN3CCC[C@H](OCc4ccccn4)C3)n2)cc1 1506428953 RNLQLPZCTIYXLR-IBGZPJMESA-N 383.492 4.525 0 50 GJAA COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(OC)c1 869318 ARFBZLSIFYDAGA-UHFFFAOYSA-N 390.798 4.712 0 50 GJAA COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 1210753 VUCUYBKNBIZGQX-UHFFFAOYSA-N 394.434 4.835 0 50 GJAA Cc1cc(C)cc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 2854572 MXFFFJGXATUIBI-UHFFFAOYSA-N 375.906 4.693 0 50 GJAA CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 3816287 RITAVMQDGBJQJZ-FMIVXFBMSA-N 386.480 4.639 0 50 GJAA fda CCOc1ccccc1-c1noc(CCCC(=O)Nc2ccccc2Cl)n1 4867405 LOXMQXRQMGSIGP-UHFFFAOYSA-N 385.851 4.750 0 50 GJAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4903069 KXPUTNUJNQJNNC-MNOVXSKESA-N 399.299 4.946 0 50 GJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585669 JEXWKEQVAZWWRC-OAHLLOKOSA-N 380.498 4.725 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cscn2)C1 11773947 DGOUPMUSNCQBCV-KRWDZBQOSA-N 392.480 4.671 0 50 GJAA CC[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12000605 GQENRURTKVDFCI-WIOPSUGQSA-N 392.543 4.602 0 50 GJAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1c(C)nn(C)c1C)c1ccccc1 12196132 QIMKVELETGHKND-JOCHJYFZSA-N 375.516 4.526 0 50 GJAA O=C(c1ccco1)N(Cc1ccc(OCCc2ccc(F)cc2)cc1)C1CC1 14956051 YZQWHZHMKDPUGL-UHFFFAOYSA-N 379.431 4.845 0 50 GJAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1C 14964111 HCDYMNOYVMRZBI-NRFANRHFSA-N 379.500 4.610 0 50 GJAA O[C@H]1CCCN(c2nc3cc(Cl)ccc3cc2CNC2CCCCCC2)C1 14991466 IGFCFSPDVFZQNI-FQEVSTJZSA-N 387.955 4.662 0 50 GJAA Cc1ccc(Cn2c(=N)n(CC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 19733138 BGMSKSAUKGQNRB-UHFFFAOYSA-N 389.886 4.815 0 50 GJAA CN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F)F 95705063 RBZKWMMBPOHSDF-UHFFFAOYSA-N 392.299 4.810 0 50 GJAA in-vitro O=C(c1ccoc1)N1CCC(Nc2cc(Cl)ccc2OCC2CCC2)CC1 170604723 MXJPGVNZAFTGQO-UHFFFAOYSA-N 388.895 4.829 0 50 GJAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCCC[C@@H]1c1ccco1 170633539 NQFSQCIALQDVQX-GOSISDBHSA-N 379.460 4.622 0 50 GJAA COC[C@@H](NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1)c1ccc(C)o1 175660121 VZOKTNHCVAPDQG-HXUWFJFHSA-N 393.487 4.564 0 50 GJAA CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1 203735175 PVOHSQPFZJFQJI-HNNXBMFYSA-N 376.453 4.585 0 50 GJAA CCOc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2c1 239432720 WFCUQECTMRFGFI-UMVBOHGHSA-N 378.563 4.728 0 50 GJAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc(-c2cccnc2)cs1 263587118 CITCKGIVAUAOSK-KRWDZBQOSA-N 380.498 4.686 0 50 GJAA O=C(NC[C@H](O)c1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 302001035 XXIHOXLWYXDKND-FQEVSTJZSA-N 385.385 4.836 0 50 GJAA CC(C)c1sc(Cl)nc1C(=O)N[C@@H](c1nc2ccccc2n1C)C(C)C 334162816 ZTDNWGNLOZFKPH-CQSZACIVSA-N 390.940 4.934 0 50 GJAA COc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1NC(=O)CC(C)C 824596651 DNLIFYUTBKZCJB-UHFFFAOYSA-N 378.831 4.725 0 50 GJAA O=C(c1cc(O)c2ccsc2c1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 846623223 ZNCOTEOFBZMYJT-IHPCNDPISA-N 379.481 4.742 0 50 GJAA Cc1sc(CCNC(=O)c2cnc(C(F)(F)F)s2)nc1-c1ccccc1 1875316271 FJAVYDQDOFPTET-UHFFFAOYSA-N 397.447 4.566 0 50 GJAA O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)c1ccccc1 640285 NPPKNSHRAVHLHD-DEOSSOPVSA-N 395.458 4.787 0 50 GJAA in-vitro Cc1cc(C)cc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 1161076 CESVFIDHJYDIMH-MXXWWZHRSA-N 379.459 4.700 0 50 GJAA O=C(c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 1225577 VFOUBXDUUUGJSK-UHFFFAOYSA-N 389.835 4.511 0 50 GJAA CCOc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 2213750 BMGPFFIYDHLPES-UHFFFAOYSA-N 388.880 4.825 0 50 GJAA CC(C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)c(Br)c1 2838267 YJKYCKRMMINMGX-UHFFFAOYSA-N 391.309 4.656 0 50 GJAA CC(=O)N[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130094 UNJKJHBOXAQJRQ-VIFPVBQESA-N 384.905 4.891 0 50 GJAA CCN(CC)CCOc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 5311522 ZHLXWJSSVXYFJC-AREMUKBSSA-N 389.539 4.886 0 50 GJAA CCCc1sc(C(=O)N[C@@H](Cn2cccn2)C(C)(C)C)cc1Br 6936845 ZKNWCKJJBDLITK-HNNXBMFYSA-N 398.370 4.504 0 50 GJAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1 8837892 MJLGJWNWIGVLLK-UHFFFAOYSA-N 393.241 4.751 0 50 GJAA C=Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3cccc4ccccc34)C2)cc1 12432825 JNMFSBPLNTYLOP-HXUWFJFHSA-N 398.506 4.765 0 50 GJAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4ccccc4C)C3)C2)c1 12579144 YHLOEUYAKYSEII-SANMLTNESA-N 390.571 4.751 0 50 GJAA COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 25781801 YJSUDLJDICUKHV-XMSQKQJNSA-N 376.412 4.539 0 50 GJAA CCc1nn2c(nnc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccccc1 40388349 DXEHQMCPGFZLNG-UHFFFAOYSA-N 399.498 4.559 0 50 GJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44933503 AIRPJRFXWKKXLU-INIZCTEOSA-N 388.914 4.877 0 50 GJAA Cc1cc(Cn2cnc(-c3ccccc3)c2-c2cccc(-n3cccn3)c2)no1 65385075 FBQQEMZTFGXMEF-UHFFFAOYSA-N 381.439 4.748 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](N(C)C)C1 72457333 FOJNSMZCXKQYPD-LJQANCHMSA-N 377.488 4.578 0 50 GJAA CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(Br)ccc23)CC1 140882494 PPCNEFYOYUIWAK-UHFFFAOYSA-N 377.282 4.955 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 168092333 XCDXKNDGAJAXEA-PBWTXFEYSA-N 387.401 4.888 0 50 GJAA CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccnc(-c2ncc[nH]2)c1 1468325158 PHPDULBAGSDMIF-OAQYLSRUSA-N 382.895 4.512 0 50 GJAA O=C(Nc1ccc(OCc2ccccc2)c2ccccc12)c1ccc2nc[nH]c2n1 1875332027 AEODMRSDBWBMIS-UHFFFAOYSA-N 394.434 4.942 0 50 GJAA COc1cc([C@@H](C)NC(=O)[C@H](N)c2ccc(F)c(Cl)c2)cc2ccccc12 2325860521 KNWFWYUIJCHQLI-MPBGBICISA-N 386.854 4.518 0 50 GJAA COC(=O)c1c(C)oc2ccc(OCc3ccccc3Br)cc12 623712 PGBWNVWYCUSRBB-UHFFFAOYSA-N 375.218 4.869 0 50 GJAA biogenic CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cs1 650797 GQWMNOSEPCGKTA-LLVKDONJSA-N 377.531 4.926 0 50 GJAA O[C@]1(c2ccc(Cl)cc2)CN2CCCCCC2=[N+]1c1ccc(Cl)cc1 3104152 WKZXPUDIOVGIDT-FQEVSTJZSA-N 376.307 4.771 0 50 GJAA Cc1ccc(N2C(=N)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C 4553270 HXUHWKNOOIKUFN-FHRZLPSCSA-N 386.860 4.741 0 50 GJAA COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1N1CCCCC1 4998896 SMPBJPDBXSBPKS-UHFFFAOYSA-N 393.531 4.928 0 50 GJAA O=C(Nc1ccc(N2CCC(NCc3ccc(F)cc3)CC2)cc1)C1CCCC1 12098522 RJLYCHPXXHZBQR-UHFFFAOYSA-N 395.522 4.713 0 50 GJAA CCn1cc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(C)n1 12201223 BYDXKZTZWZRTCR-FQEVSTJZSA-N 387.527 4.558 0 50 GJAA Cc1cc(C(=O)Nc2nccc(-c3ccco3)n2)c2c(-c3ccccc3)noc2n1 13641752 UOVOUINOWGMMSF-UHFFFAOYSA-N 397.394 4.501 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccc(F)cc1 20606425 ZQXVPTSRLKVSNJ-QFIPXVFZSA-N 395.478 4.773 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccc(F)cc1 20606427 ZQXVPTSRLKVSNJ-JOCHJYFZSA-N 395.478 4.773 0 50 GJAA O=C(c1cc(-c2cnc(C3CC3)nc2)nc2cc(Cl)ccc12)N1CCCCC1 63833326 JSJHASDYNATPSX-UHFFFAOYSA-N 392.890 4.849 0 50 GJAA CCCCOC[C@@H]1CCCC[C@@H]1COCCNC(=O)Oc1ccccc1F 64859100 BTYYXSHZANWPEB-ZWKOTPCHSA-N 381.488 4.554 0 50 GJAA in-vitro Cc1ccccc1CCN1CCC(CN(C(=O)c2ccc[nH]2)C2CCCC2)CC1 95530555 HQWIMJXBHABAET-UHFFFAOYSA-N 393.575 4.663 0 50 GJAA Fc1ccc(Oc2ccnc(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)n2)cc1 111107014 HKECNMDGASRHOE-OAHLLOKOSA-N 389.434 4.668 0 50 GJAA Cc1ccnc2sc(C(=O)N[C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)c(C)c12 252550584 SUKIEIYPQZBGKZ-HKUYNNGSSA-N 393.556 4.554 0 50 GJAA c1ccc2c(OCCCc3noc(C[C@H]4CCC5(CCC5)O4)n3)cccc2c1 1776003530 VYBGCSPXWKSSBF-GOSISDBHSA-N 378.472 4.879 0 50 GJAA Cc1noc(C)c1CN1CCC(C2CCN(Cc3ccccc3F)CC2)CC1 1857737309 GXGZBGWJOVYVJN-UHFFFAOYSA-N 385.527 4.555 0 50 GJAA O=C(OCC(F)(F)C(F)F)c1cccc(COc2ccccc2Cl)c1 654829 QDFHVTHPILPVIQ-UHFFFAOYSA-N 376.733 4.976 0 50 GJAA Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 1136128 BYKDPVLOYMFARM-UHFFFAOYSA-N 393.508 4.838 0 50 GJAA C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)CCC(=O)C(C)(C)O 4491420 AEFSLEXCTRWIIO-ZCSZAFQUSA-N 398.499 4.965 0 50 GJAA biogenic,in-vitro CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 4654954 CGBANSGENFERAT-JOCHJYFZSA-N 397.453 4.732 0 50 GJAA in-vitro COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 4785316 UECJYFDYILXOOP-UHFFFAOYSA-N 392.242 4.623 0 50 GJAA CCOC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 4978228 JIGXLRHELFYWRJ-UHFFFAOYSA-N 375.553 4.762 0 50 GJAA CC(C)C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC1CCCCC1 4993533 OKQPMSNTGILQMR-IOFSEFHDSA-N 388.596 4.573 0 50 GJAA Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 8831045 DCFICSLLDKCZOG-HSZRJFAPSA-N 384.479 4.509 0 50 GJAA O=C(CC1CCCCC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 11817477 KRHHFQWAHMYHIU-UHFFFAOYSA-N 397.481 4.819 0 50 GJAA CCCCc1nc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c[nH]1 11935470 QZXKREOFUVEDJU-IBGZPJMESA-N 383.536 4.634 0 50 GJAA O=C(CC[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1)NC1CC1 12058183 SIMXOCUIXKFXJJ-MRXNPFEDSA-N 386.923 4.871 0 50 GJAA COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331393 DVSDJIQWQOXWKV-UHFFFAOYSA-N 378.476 4.818 0 50 GJAA COc1ccccc1O[C@@H](C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 20997440 WUHRIZJUDXQXRJ-LBPRGKRZSA-N 378.350 4.828 0 50 GJAA Cc1nc2cc(OCc3nc(C(=O)N[C@H](C)CCC(C)C)co3)ccc2s1 91934391 ZWJANHVXSZFLBM-CYBMUJFWSA-N 387.505 4.726 0 50 GJAA O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100917889 MXRXDRZOWNMNPP-OYRHEFFESA-N 399.446 4.739 0 50 GJAA O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1CCOC2(CCCC2)C1 192466937 ZXWWVJXXZZXDMF-OAHLLOKOSA-N 393.325 4.551 0 50 GJAA CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)c(C)n1 247994338 CCDFNZRIXBXVSZ-VDVFKSBOSA-N 392.543 4.828 0 50 GJAA COc1ccc(/C=C/c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1772491152 AVAFSPKWZPAZHB-FMIVXFBMSA-N 394.525 4.798 0 50 GJAA C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 1875338622 FBDPCJMIBLTRBV-DUOKCRBOSA-N 391.437 4.547 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](C)C2 687039 QSFHIYSIWHQXNM-LBPRGKRZSA-N 375.465 4.830 0 50 GJAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1ccc(F)c(F)c1 718724 MYQFDFYNIDOPIY-UHFFFAOYSA-N 398.331 4.626 0 50 GJAA O=c1/c(=C/c2cccs2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 1036592 VZLYHHPWDPZCGC-JXAWBTAJSA-N 386.501 4.699 0 50 GJAA CCSc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1121287 FDKBVLVLNJEIDX-UHFFFAOYSA-N 394.462 4.780 0 50 GJAA CCOC(=O)c1cnc(SC)nc1Sc1ccc(Cl)cc1Cl 1398545 AXAMGFVVHCQVTK-UHFFFAOYSA-N 375.302 4.833 0 50 GJAA Cn1c2ccccc2n2c([C@H](O)C(Cl)(Cl)Cl)c(-c3ccccc3)nc12 3876980 SCLGLQBKSIDLQE-INIZCTEOSA-N 394.689 4.897 0 50 GJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccco3)CC2)c1 11817528 DWAVJKJRJSSAON-UHFFFAOYSA-N 390.483 4.806 0 50 GJAA CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O 15009908 OEVFACBZDNEDAW-YBEGLDIGSA-N 389.860 4.681 0 50 GJAA COc1ccccc1-c1cccc(C(=O)Nc2ccccc2N2CCOC2=O)c1 20600011 FKKPSGITFRCSRE-UHFFFAOYSA-N 388.423 4.571 0 50 GJAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)c2ccccc21 55120489 KYZMDMDXVZMVFU-HXUWFJFHSA-N 398.462 4.864 0 50 GJAA COc1cc(CN2CCCC2)ccc1Oc1ccc(C(=O)N2CCCCC2)cc1 67692229 SKBPHGSWGMGPSH-UHFFFAOYSA-N 394.515 4.709 0 50 GJAA O[C@@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 72422172 USMVZCBUXUTKJN-OAQYLSRUSA-N 378.903 4.611 0 50 GJAA FC(F)(F)c1csc([C@@H]2CCCN(Cc3cc(-c4ccco4)on3)C2)n1 134451699 QNOJTSYAUCQPRB-LLVKDONJSA-N 383.395 4.790 0 50 GJAA CCCC[Sn](CCCC)(CCCC)c1nccc(OC)n1 170174117 HQUSEOSQVFRYQV-UHFFFAOYSA-N 399.167 4.541 0 50 GJAA CCOc1cccc2cc([C@@H](C)NC(=O)NC3CCN(C4CCCC4)CC3)oc12 175558064 ANEBHHWWNLBSLR-MRXNPFEDSA-N 399.535 4.599 0 50 GJAA Cc1ccc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)s1 175772802 XLLLUHHUZTXBEY-UHFFFAOYSA-N 398.557 4.530 0 50 GJAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cnn(C)c1)[C@@H]2O 248376070 BXJRUGUVBIWBJI-PHQNCCCCSA-N 392.543 4.729 0 50 GJAA O=C(C1CCCC1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 575631063 PEASFKSPITUZGT-UHFFFAOYSA-N 376.544 4.917 0 50 GJAA in-vitro O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc(-c2ccncc2)o1 1875262670 WRYVWTQCKOVAIC-UHFFFAOYSA-N 399.903 4.801 0 50 GJAA O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc(Cl)cc1 713758 DHJBTRPQNIIAKU-IBGZPJMESA-N 389.929 4.930 0 50 GJAA CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccs2)cc1 851244 QTLIQSQHKLNHQG-LGMDPLHJSA-N 398.509 4.618 0 50 GJAA COc1cc(/C=C/C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 953807 SNLOTQNZTSPLRL-FYWRMAATSA-N 387.479 4.646 0 50 GJAA O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 991720 CTTNVVTWGJDTOT-UHFFFAOYSA-N 393.398 4.860 0 50 GJAA O=C(COC(=O)c1cccc(Cl)c1)c1ccc(OC(=O)c2ccccc2)cc1 992889 ZGQZWWZKDVGXLV-UHFFFAOYSA-N 394.810 4.599 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c(-c3ccccn3)cccc12 4542305 NAUPFRVAVFGVAF-UHFFFAOYSA-N 384.435 4.717 0 50 GJAA Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 4615975 FZRJXSLHUXQIDJ-UHFFFAOYSA-N 376.847 4.943 0 50 GJAA O=C(O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 4718145 OOFDSNXJASCZBR-DEMYODCQSA-N 396.314 4.842 0 50 GJAA COc1cccc(CNCc2ccccn2)c1OCc1ccc(F)cc1Cl 4999754 HIMXQERVEBKQTF-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA COC(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 12050504 YZCOWELIPNTTFE-UHFFFAOYSA-N 395.547 4.520 0 50 GJAA Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 12377899 PWIXNOJQJZTTGN-JWGURIENSA-N 376.500 4.523 0 50 GJAA COc1ccc([C@H](CC(=O)N(C)Cc2nc(C)cs2)c2ccccc2)cc1 12431218 HZXRAPSPVNKETJ-HXUWFJFHSA-N 380.513 4.641 0 50 GJAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccco2)n1 12434840 MMPHSRDTOABDKP-XMMPIXPASA-N 385.467 4.571 0 50 GJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)cc1 12572733 VEMOFOQDDSIDKQ-OAQYLSRUSA-N 396.497 4.967 0 50 GJAA O=C(CCC1CCN(Cc2ccc(OC(F)F)cc2)CC1)Nc1ccccc1 15072367 COYRTFFCJMFJLE-UHFFFAOYSA-N 388.458 4.919 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccccc1Cl 22458382 UOZUKXIGWUFRDO-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 25583082 QBCCPELRUDFBQK-WMZHIEFXSA-N 388.398 4.797 0 50 GJAA Cc1ccsc1-c1nc(COc2ccccc2C(=O)N2CCCC2)c(C)o1 67740105 XMODWUJRXBCYFQ-UHFFFAOYSA-N 382.485 4.835 0 50 GJAA CCCn1cnnc1CN(C)Cc1cc2cccc(C)c2nc1-c1cccs1 72418444 WAPNANJWDJKVQR-UHFFFAOYSA-N 391.544 4.905 0 50 GJAA Fc1ccc([C@@H]2CN(Cc3ccccc3OCc3cccnc3)CCO2)c(F)c1 190136512 KWHDEEVWBOLLOW-QHCPKHFHSA-N 396.437 4.512 0 50 GJAA COc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1Cl 238899435 GJXGUCGGSXKTPK-QGZVFWFLSA-N 385.851 4.526 0 50 GJAA CC(C)[C@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)n1cccc1 263587553 IFCWGNJVZMCBEI-HSZRJFAPSA-N 386.499 4.985 0 50 GJAA CN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 329856247 UQEDNPDXQSHVTG-GHTZIAJQSA-N 385.483 4.589 0 50 GJAA O=C1CCc2ccccc2N1CC(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 1353531166 IVJYDRKMLZKGQL-NRFANRHFSA-N 396.490 4.535 0 50 GJAA O=C([C@H]1CCCCc2ccccc21)N1CC2(CCOCC2)[C@H]1c1ccccc1 1875265977 VBXMSVRQNCPKTR-XZOQPEGZSA-N 375.512 4.877 0 50 GJAA C[C@H]1Cc2cccc(O)c2N(C(=O)c2cc(Oc3ccccc3)ccc2O)C1 1875322783 HWKYZWIREZBYBE-HNNXBMFYSA-N 375.424 4.729 0 50 GJAA O=C1OC2(CCC2)[C@@H](C(=O)OCc2ccc(Cl)c(Cl)c2)c2ccccc21 1875354590 JYAKCNPLKBGJNQ-QGZVFWFLSA-N 391.250 4.914 0 50 GJAA COc1cccc(C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 993028 WRORYSKJNWNZGJ-UHFFFAOYSA-N 395.842 4.863 0 50 GJAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(O)cc1 1788408 DZUVTKGJEJVFMK-UHFFFAOYSA-N 381.453 4.858 0 50 GJAA CCOc1cc(-c2nc(-c3ccccc3OC)no2)cc(OCC)c1OCC 2884805 PJPGIAYPQOPGQQ-UHFFFAOYSA-N 384.432 4.608 0 50 GJAA O=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc(Cl)cc1 6721254 LYUMTBXPNAKVAC-UHFFFAOYSA-N 398.919 4.614 0 50 GJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1C 11814770 UXLRJXUMSKLQOG-LJQANCHMSA-N 390.483 4.528 0 50 GJAA COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)cc1 12385388 CBMJKAJTBFEQHO-SFHVURJKSA-N 397.500 4.620 0 50 GJAA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC(C)CC3)c2C)cn1 63844756 VTUOZKIIOJTUHU-UHFFFAOYSA-N 376.504 4.607 0 50 GJAA O=C(C[C@H]1CCOc2ccccc21)Nc1cccc(OCc2cscn2)c1 117641659 FPLBFSVYROQLSC-OAHLLOKOSA-N 380.469 4.617 0 50 GJAA CCS(=O)(=O)c1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 130009754 JENGGKGMMWJUOH-UHFFFAOYSA-N 390.892 4.709 0 50 GJAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 221951452 CWJJTVYXPPRHAO-GXVVCJCISA-N 385.891 4.860 0 50 GJAA CCCC[Sn](CCCC)(CCCC)CO[C@@H](C)CN 230833132 MALMPZOIHFDDCK-NDNWHDOQSA-N 378.189 4.739 0 50 GJAA Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@@H]2C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)c1 239305880 GDRAUJABWXLFGX-CARQKBIPSA-N 379.887 4.886 0 50 GJAA Fc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1Br 244866497 VXCVNBYMELAWRG-PMACEKPBSA-N 395.360 4.817 0 50 GJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 1776003951 GQAPJTZWSQRTRB-UHFFFAOYSA-N 375.490 4.521 0 50 GJAA O=C(CCCOc1ccccc1Br)NCc1ccc2ccoc2c1 2325735827 APZSXHNVFHGPPG-UHFFFAOYSA-N 388.261 4.671 0 50 GJAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C1)CC2 2356155392 FHBVGJGXEGLQOG-VWLOTQADSA-N 383.495 4.572 0 50 GJAA COc1ccc(CCNC(=S)Nc2cc(Cl)ccc2Cl)cc1OC 986068 OJGBOMYGODJXTN-UHFFFAOYSA-N 385.316 4.540 0 50 GJAA Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 1074467 ZTGIPGHXBWJLPX-UHFFFAOYSA-N 378.453 4.912 0 50 GJAA CCCCN(Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2cccc(OC)c2)CC1 14988070 NOENSHYGRJAVME-HSZRJFAPSA-N 394.559 4.879 0 50 GJAA COc1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC 36621175 DGHMOPQGGHVCAW-INIZCTEOSA-N 390.867 4.735 0 50 GJAA CCN(CC)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2c(C)cccc12 63847003 XFXYBEBLWRALHF-UHFFFAOYSA-N 376.504 4.780 0 50 GJAA CCOC(=O)N1CC=C([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 65743078 ZORGYPXITGWTSB-HXUWFJFHSA-N 382.891 4.754 0 50 GJAA in-vitro CC(C)c1csc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 67804739 JKSDMNFJGCZCID-QGZVFWFLSA-N 388.487 4.898 0 50 GJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2nc3ccccc3nc2C)C1 67818594 JQASEMDXUSCKIS-KRWDZBQOSA-N 391.540 4.755 0 50 GJAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCCC[C@@H]1c1ccc(F)cc1 92076874 DTVKNGSNKLJABP-HXUWFJFHSA-N 376.435 4.727 0 50 GJAA O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1O 101883141 DOACPULUEQQBJN-XZOTUCIWSA-N 395.458 4.635 0 50 GJAA CC(=O)c1cccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1 109917870 HHDGAVPUHALEOU-CSKARUKUSA-N 376.387 4.868 0 50 GJAA CCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 127289347 IQZXEHBISYFQKA-UHFFFAOYSA-N 377.469 4.710 0 50 GJAA CC(C)(C)[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccco1 170615611 KJUMXHZLCNRAKX-MRXNPFEDSA-N 375.266 4.707 0 50 GJAA Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@@H](C)[C@H](C)N 262533713 OSODOPHJCJLARQ-GJZGRUSLSA-N 382.483 4.654 0 50 GJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)COC3)cc1 299757140 NDLGCWBAYVUANT-JOCHJYFZSA-N 379.504 4.538 0 50 GJAA CCCOc1cc(F)ccc1NC(=O)Nc1c(-c2ccccc2)c(C)nn1C 1875303680 IEXUTLIGTGFAOB-UHFFFAOYSA-N 382.439 4.967 0 50 GJAA CCc1ccc(N(CC2CC2)C(=O)c2cc(C(F)(F)F)ncc2OC)cc1 2325794182 UERUZUQQGOFNMO-UHFFFAOYSA-N 378.394 4.728 0 50 GJAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc2ccccc2o1 1078310 BKMKPOMYIOHTRW-UHFFFAOYSA-N 390.361 4.541 0 50 GJAA CCCc1ccc(Oc2c(C)oc3c(C)c(OCC(=O)OC)ccc3c2=O)cc1 1183929 VWNKEQBOZAFBQF-UHFFFAOYSA-N 396.439 4.706 0 50 GJAA O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(CC2CCCC2)s1 2789313 QBXDCHOSLITMIN-UHFFFAOYSA-N 386.304 4.595 0 50 GJAA COc1cc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)cc(OC)c1 6901875 WKEIKNAYWMNQLT-UHFFFAOYSA-N 382.807 4.699 0 50 GJAA Cc1ccc(CN2CCC(CN(C)Cc3ccccc3OC(F)F)CC2)o1 11844389 LQVLBIUHQBNZIV-UHFFFAOYSA-N 378.463 4.533 0 50 GJAA CCn1ccnc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 11932990 DBWARSPHBMXJPX-HXUWFJFHSA-N 381.907 4.737 0 50 GJAA CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=O)NC1=O 15800676 IPCAXYWQDGSHET-KWPCUBQOSA-N 397.496 4.982 0 50 GJAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 17986722 SDCWCBCCXXJTKX-ZNZDAUKMSA-N 396.874 4.518 0 50 GJAA COc1ccc2cc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(F)cc43)[nH]c2c1 252489878 KDYPCTALKCPAGB-GOSISDBHSA-N 377.419 4.604 0 50 GJAA COc1cc(C(=O)O)cc(Br)c1OCc1ccc(F)cc1Cl 386192758 IPJVOMOFGCDIOK-UHFFFAOYSA-N 389.604 4.527 0 50 GJAA Cc1ccc2c(C(=O)N3CCC4(CC3)OCCc3sccc34)cc(C)nc2c1 1704301303 UEQACHCGWMBJRV-UHFFFAOYSA-N 392.524 4.617 0 50 GJAA CC(C)c1noc2ncc(C(=O)N3CCC[C@H]3c3cn(C)c4ccccc34)cc12 1875347519 WMSLZXBHXJCDKV-FQEVSTJZSA-N 388.471 4.815 0 50 GJAA CCOc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1 1130710 KMZNSLGLAMDFCK-UHFFFAOYSA-N 385.470 4.567 0 50 GJAA COC(=O)c1ccc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 1130723 ZLDKQSUMZOMJEH-UHFFFAOYSA-N 398.311 4.960 0 50 GJAA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(F)cc1Cl 1131293 MBSMTLLGHUJRQM-UHFFFAOYSA-N 391.899 4.596 0 50 GJAA O=C(Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccco3)ccc1-2)c1ccco1 1163489 SQYUHDKXVBYHGD-UHFFFAOYSA-N 384.391 4.948 0 50 GJAA COc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 1229362 GHBFNTLHCKKCGA-UHFFFAOYSA-N 379.456 4.904 0 50 GJAA Cc1cc(C)c(NC(=O)Cn2nc3c4c(cccc4c2=O)-c2ccccc2-3)c(C)c1 2191368 MVMNMAWCMNMLEC-UHFFFAOYSA-N 395.462 4.608 0 50 GJAA CCCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cc1 2496023 KBYIRRFIYPWKCE-UHFFFAOYSA-N 398.322 4.737 0 50 GJAA O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1 2843694 FVXSYGFMACEWJH-ROUUACIJSA-N 399.940 4.861 0 50 GJAA COc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 4663415 JQUWCJPNSYGTEW-UHFFFAOYSA-N 386.860 4.735 0 50 GJAA aggregator CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 4725521 HPDHEFKRODUIEG-UHFFFAOYSA-N 382.523 4.867 0 50 GJAA COC(=O)c1c(NC(=S)Nc2ccc(C)c(Cl)c2)sc2c1CCC2 5941876 WRMHVNSWCBLVOY-UHFFFAOYSA-N 380.922 4.794 0 50 GJAA CCOCCCNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 11844541 ZTENLBKBFNBKOQ-UHFFFAOYSA-N 399.922 4.718 0 50 GJAA CC(C)C[C@H](C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 12429953 BPMVXZSZXCQKSZ-IBGZPJMESA-N 382.552 4.526 0 50 GJAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C[C@H]2CCOC2)CC1 12465520 KCTKQIJFSAJZNG-QGZVFWFLSA-N 398.934 4.694 0 50 GJAA Cc1cc(C)cc(NC(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1 12753043 LLIDFAGAXHPHHU-NRFANRHFSA-N 397.538 4.861 0 50 GJAA CCC[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 13746140 JOHUICMYEVLCTE-LZGZYFLISA-N 384.520 4.980 0 50 GJAA Cc1oc(-c2cccc(F)c2)nc1CN(C)Cc1cccc(-n2cccn2)c1 14975070 XSHSGCWYFDKJQV-UHFFFAOYSA-N 376.435 4.607 0 50 GJAA Cc1nc(NCc2ccc3c(c2)OCO3)sc1-c1ccn(-c2ccccc2)n1 14992458 OHVXMOFMFKSEOK-UHFFFAOYSA-N 390.468 4.645 0 50 GJAA Cc1cc(C)c2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 63870167 FZLNICOZCBCBHR-QGZVFWFLSA-N 376.504 4.921 0 50 GJAA Fc1ccc(-c2n[nH]cc2Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cc1 67756317 MDWIICAYOYRCQP-GOSISDBHSA-N 388.446 4.632 0 50 GJAA O=C(c1c(Cl)cccc1Cl)N1CCC(c2nccn2CC2CC2)CC1 82139062 QJSWEWYSZYQWHZ-UHFFFAOYSA-N 378.303 4.620 0 50 GJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 183059283 SJBQBCCEGANGTN-SFHVURJKSA-N 389.377 4.792 0 50 GJAA Cc1ccc(NC(=O)N2CC[C@H](O)CC23CCC3)cc1OCC1CCCCC1 333864032 QOLSHZBBJNVBQK-FQEVSTJZSA-N 386.536 4.865 0 50 GJAA CC[C@@H](NC(=O)c1ccc(-c2cc(C)c(C)nc2O)cc1)c1ccc(C)cn1 534653891 SXWBICOKLPUBGB-HXUWFJFHSA-N 375.472 4.656 0 50 GJAA O=C(Nc1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 1875254022 IORXJZLPSJREPR-UHFFFAOYSA-N 382.419 4.925 0 50 GJAA Cc1sc([C@@H](C)NC(=O)CC2(C(=O)O)CCC2)nc1-c1ccc(Cl)cc1 1875317419 YTAKQHOGKBKZCK-LLVKDONJSA-N 392.908 4.594 0 50 GJAA O=C(c1coc(-c2ccccc2)n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822897 VKLZJULRSSOIOD-UHFFFAOYSA-N 382.847 4.679 0 50 GJAA O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1 644388 FUHILLKMLWBXMA-UHFFFAOYSA-N 382.460 4.809 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1OC 688714 ZVAWENWXTHPNKN-INIZCTEOSA-N 390.483 4.934 0 50 GJAA COc1cccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)c1 937356 LRSSOEFVDASWGK-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 1147649 ANFBUYXZFHZUAU-CSKARUKUSA-N 389.282 4.881 0 50 GJAA Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1 1218724 ZARJGWVFTXRPTK-UHFFFAOYSA-N 380.860 4.967 0 50 GJAA CCOC(=O)c1c(NC(=S)N2CCCC[C@@H]2C)sc2c1CCCCC2 5979963 MGRNULQKFNSGOC-ZDUSSCGKSA-N 380.579 4.765 0 50 GJAA Cc1ncc(Cc2ccccc2)c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 12165972 DDSPAMFELOXMGD-IBGZPJMESA-N 389.474 4.535 0 50 GJAA C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)[C@H]1CCCO1 12383290 GBMVZTMAEXVOCC-GZMMTYOYSA-N 388.714 4.615 0 50 GJAA c1ccc(-c2ncn(Cc3ccccn3)c2-c2cccn2-c2ccccn2)cc1 65456153 DNIQYQMNWLJZSE-UHFFFAOYSA-N 377.451 4.846 0 50 GJAA COCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)nc2c(C)c(C)ccc12 77534986 GZEQOVFEPMSUSP-UHFFFAOYSA-N 380.463 4.588 0 50 GJAA CC(=O)N1C[C@H](CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21 170596692 AZNJGOAPJUZJRG-AWEZNQCLSA-N 397.525 4.741 0 50 GJAA CC(C)(C)[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccco1 170615610 KJUMXHZLCNRAKX-INIZCTEOSA-N 375.266 4.707 0 50 GJAA Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc2c(c1)CCC=C2 170617679 FVVMHBNCMRCDIS-UHFFFAOYSA-N 379.410 4.730 0 50 GJAA C[C@@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@@H]1c1ccccc1 170643663 UAMDNSIJCZJCRZ-WBMJQRKESA-N 387.361 4.589 0 50 GJAA CN(C(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 253454733 AWPIQIYQLIIQOS-PMACEKPBSA-N 386.451 4.717 0 50 GJAA CCN1CCC[C@@H](CN(C)C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 426494470 XNAYPPLLVOOZLE-IBGZPJMESA-N 387.527 4.706 0 50 GJAA Cc1cc(C)cc(CNC(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 426537832 ZABIOACGVNVPCR-FQEVSTJZSA-N 380.467 4.756 0 50 GJAA O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCCC[C@H]1c1ncon1 490066404 YPZOQRVMOPKQIR-SFHVURJKSA-N 383.835 4.883 0 50 GJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 952986610 ZLNMAHOJQQOKOG-UHFFFAOYSA-N 390.487 4.583 0 50 GJAA CC(C)(C)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 1875255850 QDEKDAUDZPQBDZ-HXUWFJFHSA-N 398.572 4.902 0 50 GJAA Cc1sc2nc(-c3cccnc3)nc(NCC3(c4ccccn4)CC3)c2c1C 1875264102 UJAPCCRUXZPYAR-UHFFFAOYSA-N 387.512 4.909 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 758827 QTORIVMCWNSTKP-CYBMUJFWSA-N 388.558 4.813 0 50 GJAA CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1Cl 814028 CMCKAYREKHOSTL-UHFFFAOYSA-N 389.864 4.559 0 50 GJAA Cc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)cc1 2857221 BNYMZGUURCMBCP-UHFFFAOYSA-N 391.467 4.696 0 50 GJAA COc1cc2c(cc1NC(=O)c1cc3ccccc3oc1=O)oc1ccccc12 4750248 XGHMFSMRAGESTJ-UHFFFAOYSA-N 385.375 4.953 0 50 GJAA COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl 5094008 HREWCPKDYQCYNV-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 5101303 YUICQIPNQZSRCQ-UHFFFAOYSA-N 386.860 4.915 0 50 GJAA COc1ccccc1[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN21 6249150 HXFKBUGOAVGLTR-RDPSFJRHSA-N 386.451 4.946 0 50 GJAA CCn1c(SCc2c(F)cccc2F)nc2sc3c(c2c1=O)CCCC3 6489999 PMTBFMZVTRQAAH-UHFFFAOYSA-N 392.496 4.927 0 50 GJAA CCCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCCC3)c2C)cn1 63856429 AKJNFUVGFZZTAT-UHFFFAOYSA-N 376.504 4.751 0 50 GJAA O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC[C@H](c2ccccc2)CC1 67790584 WQHQQEWOJGFVMB-FQEVSTJZSA-N 386.495 4.651 0 50 GJAA C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc2cc(Cl)ccc2o1 123104032 HZGHBAKTEXEBFR-ZUZCIYMTSA-N 386.810 4.529 0 50 GJAA O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 827693227 AIVBACUAXSXEFO-HNNXBMFYSA-N 398.890 4.862 0 50 GJAA CSc1ccc2c(C)cc(NC3CCN(Cc4ccncc4)CC3)nc2c1 1529099623 CWHUCVGJHGJZFX-UHFFFAOYSA-N 378.545 4.737 0 50 GJAA O=C(N[C@H](Cc1ccccc1)Cc1cccnc1)c1ccc(CC2CC2)s1 2325853040 BCTDVLGXYJDLCF-HXUWFJFHSA-N 376.525 4.679 0 50 GJAA O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 830384 MWTMYLNMSBEAMV-LBPRGKRZSA-N 385.769 4.631 0 50 GJAA COc1ccc(O[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 836812 SGLCLIAYQZRAHX-MRXNPFEDSA-N 388.678 4.509 0 50 GJAA Cc1ccc(C(=O)[C@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 1164334 FDLRXZGNCNNDRF-HSZRJFAPSA-N 398.414 4.882 0 50 GJAA Cc1cccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)c1 1186779 XUROQFVOEVMVNW-UHFFFAOYSA-N 386.407 4.827 0 50 GJAA Fc1ccc(OCc2ccccc2-c2nc3c4ccccc4ncn3n2)c(F)c1 2807823 XQVQRQNKAWJCTE-UHFFFAOYSA-N 388.377 4.802 0 50 GJAA CCCCSc1nnc2c(n1)O[C@H](c1cccc(O)c1)Nc1ccccc1-2 5309553 XTVPBPWZYGPSCV-GOSISDBHSA-N 380.473 4.640 0 50 GJAA CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939864 ITICFKGIRRLULX-UHFFFAOYSA-N 388.446 4.925 0 50 GJAA CC(C)c1csc(CN(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)n1 11873038 HEYIMKLEGVXYLO-LJQANCHMSA-N 389.584 4.792 0 50 GJAA CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)c1C 20615357 HIFURMOJKRNCER-UHFFFAOYSA-N 397.429 4.867 0 50 GJAA COc1ccccc1-n1nc(-c2cc(F)c(Cl)cc2Cl)cc1C(=O)O 25781854 WCQSKPFVOUYREI-UHFFFAOYSA-N 381.190 4.692 0 50 GJAA CC(C)c1ccc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)nn1 67907917 USVVYHXJMJHYAR-UHFFFAOYSA-N 388.450 4.803 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H](C)n3cccn3)cc(Cl)cc12 71760119 MFSTUIRUAOUXBL-OAHLLOKOSA-N 392.890 4.871 0 50 GJAA COc1cc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)c(OC)cc1Cl 1775971277 MARSRCPCHJRVKN-UHFFFAOYSA-N 384.881 4.557 0 50 GJAA CCO[C@H](C)c1nc(-c2cnn(CC(F)(F)F)c2C)n(C2CCC(C)CC2)n1 1875349063 LMGMEXJWIILLFZ-HNFVBEJKSA-N 399.461 4.861 0 50 GJAA COc1ccc(/C=C/C(=O)OCc2ccc(Oc3cccnc3)cc2)c(OC)c1 2325719738 FLPHJIMRFWRPOJ-XYOKQWHBSA-N 391.423 4.648 0 50 GJAA Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 712819 MUVXJCGKTWFERR-UHFFFAOYSA-N 383.420 4.628 0 50 GJAA COc1ccc([C@@H](CC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 949659 MYPSECYPRNTVMA-JOCHJYFZSA-N 398.455 4.622 0 50 GJAA COc1ccccc1-c1oc2ccccc2c(=O)c1OC(=O)c1cccs1 1000110 JRYSVQVUDVYYSK-UHFFFAOYSA-N 378.405 4.749 0 50 GJAA biogenic,in-vitro COc1ccc(NC(=O)c2cccc3c(Br)cccc23)c(OC)c1 1157418 GPCOLUKGKUIDJC-UHFFFAOYSA-N 386.245 4.872 0 50 GJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 1206319 ZHDWQDXRAFMBTE-UHFFFAOYSA-N 393.830 4.869 0 50 GJAA COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 1212488 RIOWLILDMCNTSR-UHFFFAOYSA-N 379.803 4.804 0 50 GJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 2057035 LLDWCWLEOGSOFC-IBGZPJMESA-N 394.500 4.943 0 50 GJAA COc1ccccc1[C@@H](CCNCc1ccccc1)c1ccc2c(c1)OCO2 2101938 WTRUIJJKAXKDGK-FQEVSTJZSA-N 375.468 4.736 0 50 GJAA biogenic O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccccc1Cl 2794455 UIPQNYZVLIIKFA-UHFFFAOYSA-N 381.650 4.539 0 50 GJAA COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)cc1 2848370 ZXDFFTADEQLXGK-HXUWFJFHSA-N 396.284 4.977 0 50 GJAA CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 6574283 RDDYUGAKLOKMRZ-UHFFFAOYSA-N 386.908 4.727 0 50 GJAA OCC1(CCOc2ccccc2)CCN(Cc2cc3ccccc3s2)CC1 14952209 YOYAFIBZEXDMMI-UHFFFAOYSA-N 381.541 4.945 0 50 GJAA CN1CC2(CCC1=O)CCN(Cc1ccc(SC3CCCCC3)o1)CC2 91574847 NNAJLTITWCRLOH-UHFFFAOYSA-N 376.566 4.539 0 50 GJAA Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c(-c2nc(C3CC3)no2)c1 175066797 BDVANECICQGVOA-AWEZNQCLSA-N 377.448 4.542 0 50 GJAA C[C@H]1CN(c2ccccc2CN2CCCCC[C@H]2c2ccncc2)C[C@@H](C)O1 252477746 VAJSQJIBUOOABE-MZKRTTBSSA-N 379.548 4.813 0 50 GJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc(COc3ccccc3)cc1)C2 1704299123 MWXCQRXDRTYELN-VWNXMTODSA-N 379.500 4.687 0 50 GJAA Cc1cc(-c2nc([C@@H](C)Oc3ccc(Br)cc3Cl)no2)ccn1 1875331634 QQEKWKYJEYNJKA-SNVBAGLBSA-N 394.656 4.996 0 50 GJAA c1ccc2oc(SCc3nc4c5c6c(sc5ncn4n3)CCCC6)nc2c1 846147 HVRFWLZCCRFAFS-UHFFFAOYSA-N 393.497 4.651 0 50 GJAA OC(c1ccc(NC(=S)Nc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 1171014 KHTGWSNQIKIQNH-UHFFFAOYSA-N 394.340 4.808 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1)CC2 1443355 KHTLMGXARAKWGT-QHCPKHFHSA-N 388.467 4.883 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cc(Br)cs2)sc(C)c1C 2779586 KKDYPDGVBQRTKE-UHFFFAOYSA-N 388.308 4.618 0 50 GJAA Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(-c2cccs2)o1 2803515 PESFZUGUFQORLR-ZETCQYMHSA-N 389.225 4.612 0 50 GJAA CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC1(CC)CC 2986691 UNHYCNOBTURIFS-UHFFFAOYSA-N 377.484 4.753 0 50 GJAA Cc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1C 11690055 FKXSWOWBWTUVSZ-UHFFFAOYSA-N 375.259 4.752 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)C[C@H]1COc2ccccc2O1 55228246 BGOBFDIADFGGBN-HNNXBMFYSA-N 384.863 4.575 0 50 GJAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc([C@@H]5CCCO5)s4)CC3)nc12 91831074 KOYDDWIETROIFT-KRWDZBQOSA-N 395.528 4.804 0 50 GJAA CCN(Cc1ccc(Cl)s1)C(=O)c1sc(NC(=O)C2CC2)cc1C 122563848 BCYYTHGVYZTYJD-UHFFFAOYSA-N 382.938 4.782 0 50 GJAA CC[C@H](C)CCCNc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 248246077 GYPJYMHDVRVNNV-CAOSSQGBSA-N 398.642 4.809 0 50 GJAA CSc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 263619658 ZVDLUDIIBCPEQJ-IBGZPJMESA-N 390.468 4.594 0 50 GJAA O=C1C[C@H](c2nnc(-c3ccc4ccccc4c3)o2)CN1c1c(F)cccc1F 1349947323 LEOGROYTKSMNJA-INIZCTEOSA-N 391.377 4.689 0 50 GJAA CCCCN(CC)Cc1cccc(CN=c2[nH]cnc3cc(F)c(F)cc23)c1 1875268851 NEYVLPWSROWPBM-UHFFFAOYSA-N 384.474 4.564 0 50 GJAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H]3c3cc(F)ccc3F)cn2)n1 2325818695 SDFDMJXJZBDPGB-LJQANCHMSA-N 397.429 4.531 0 50 GJAA Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(C)C)n1C 1128310 XTDYNHZIHYDYLQ-UHFFFAOYSA-N 380.517 4.645 0 50 GJAA COc1ccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCC4)cc1 1157061 IASWCROHASCEBF-UHFFFAOYSA-N 386.542 4.693 0 50 GJAA O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(F)c1 8583891 ZYIOFMNUWDTTNG-SFHVURJKSA-N 398.434 4.752 0 50 GJAA C[C@@H](Cc1ccccc1F)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 12585897 DAGPAPRJWAKRNM-FQEVSTJZSA-N 396.550 4.908 0 50 GJAA C[C@@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1cccc2ccccc12 14979587 NSHNRRJNGVIXTF-OAHLLOKOSA-N 390.874 4.624 0 50 GJAA CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(N2CCNC2=O)c1 20514098 BYUQOWDBKWWFGD-MRXNPFEDSA-N 399.922 4.619 0 50 GJAA CCn1c(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)nc2ccccc21 20869567 SEQHGUCCQYAZIW-GOSISDBHSA-N 393.556 4.873 0 50 GJAA Cc1ccc(-c2cc(C(=O)N(Cc3ccc4[nH]ccc4c3)C3CC3)[nH]n2)s1 91656845 HLSIODVUGPCQFG-UHFFFAOYSA-N 376.485 4.733 0 50 GJAA Cc1nn(C)c2ncc(C(=O)N3CCCc4cc(-c5ccccc5)ccc43)cc12 119472541 VWKIEXMUBJQOJY-UHFFFAOYSA-N 382.467 4.537 0 50 GJAA Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)OC(C)(C)C)CC1 138423008 HYOKYDMXRNJEMY-UHFFFAOYSA-N 383.414 4.936 0 50 GJAA COc1ccccc1N1CC[C@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 482118497 IBAJPOZWUWYYTM-VQTJNVASSA-N 387.527 4.934 0 50 GJAA CCCC(=O)c1cn(CC(=O)Nc2ccc3c(c2)C[C@H](C)O3)c2ccccc12 952860985 AZXQXGVVGCTACR-HNNXBMFYSA-N 376.456 4.586 0 50 GJAA O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCC[C@@H]1C1(O)CC1 1772814873 SJESXOFWPNMSBG-GOSISDBHSA-N 380.875 4.618 0 50 GJAA Cc1c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)noc1-c1ccccc1 1875317944 HBOZCEUAUZZUJK-UHFFFAOYSA-N 390.361 4.521 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 633188 SBKSCBCUBQURNK-UHFFFAOYSA-N 387.863 4.847 0 50 GJAA Cc1ccccc1Cn1nc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C 1002206 FZJCSGYVCDORSZ-QGZVFWFLSA-N 397.906 4.916 0 50 GJAA Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 1072504 ILFUUPZQHUQVBJ-GFCCVEGCSA-N 396.796 4.659 0 50 GJAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 1142032 FMDVDLXUSWFKLI-GFCCVEGCSA-N 397.281 4.719 0 50 GJAA CCC(=O)Nc1cccc(-c2nnc(SCc3ccccc3Cl)n2C)c1 1170214 VGQISVQKSYMDHM-UHFFFAOYSA-N 386.908 4.776 0 50 GJAA O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 1422997 COONSQWVSRRGCK-FYYLOGMGSA-N 393.870 4.921 0 50 GJAA Cc1cc(C)cc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c1 4045543 ZJNZAYMYKXAYNO-UHFFFAOYSA-N 380.440 4.623 0 50 GJAA biogenic C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(F)(F)F 5060115 LZRYGHWKPJYPSW-SNVBAGLBSA-N 388.183 4.874 0 50 GJAA COC(=O)c1sc2cc(NC(=S)N3CCC[C@H](C)C3)ccc2c1Cl 6399252 HTJMSYMOTOCMNO-JTQLQIEISA-N 382.938 4.770 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC23CCN(C[C@@H]2CC=CCC2)CC3)cc1Cl 12038913 KQDNMVUGAZOKPR-SJLPKXTDSA-N 388.939 4.746 0 50 GJAA CCCCc1ncc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)[nH]1 20454268 XJSLNMOWLARYEC-IBGZPJMESA-N 377.536 4.830 0 50 GJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c(C)n1 20603513 JVWHXCCBYAHNRR-UHFFFAOYSA-N 385.393 4.997 0 50 GJAA COc1ccc2cc(CN3CCC(O)CC3)c(-c3ccc(Cl)cc3)nc2c1 72475800 KPUSZFUZHCTLJP-UHFFFAOYSA-N 382.891 4.521 0 50 GJAA C[C@]12CCC3(C[C@@H]1CC1(OCCO1)[C@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257349228 MPIRFQZGXWCVJD-RZTRGMPVSA-N 376.537 4.515 0 50 GJAA Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 263619422 YPKXZDSWAWAOQF-INIZCTEOSA-N 384.848 4.587 0 50 GJAA O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1c(Cl)cccc1Cl 263640103 XTCAWFMGJXCESS-UHFFFAOYSA-N 383.584 4.991 0 50 GJAA Cc1ccc(C(=O)Cn2cc(-c3ccc(-c4ccccc4)cc3)n(C)c2=N)cc1 334157487 AKCWIEQAHKHASJ-UHFFFAOYSA-N 381.479 4.831 0 50 GJAA Cc1cc(N2CCC[C@H](c3nc(C(C)C)no3)C2)nc2cc3c(cc12)CCC3 1529191992 MIFNLTJHEJZSGX-SFHVURJKSA-N 376.504 4.922 0 50 GJAA CC(C)c1ccccc1Oc1ccccc1C(=O)N[C@H](C)CO[C@H]1CCOC1 1875259033 PWYBOQCUBLKUAH-MSOLQXFVSA-N 383.488 4.526 0 50 GJAA Cc1noc(C)c1C[C@@H](C)C(=O)N=c1cc(-c2ccccc2)[nH]c2ccccc12 1875334423 NMMULBIKFCBHBP-OAHLLOKOSA-N 385.467 4.746 0 50 GJAA COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC 1073901 HZVUZKPJBLNIDJ-UHFFFAOYSA-N 399.450 4.875 0 50 GJAA COc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC 1088119 HIWMJWGMWHGXGT-UHFFFAOYSA-N 389.495 4.585 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCCC2 2737378 HCPZJAAWWFRTJF-UHFFFAOYSA-N 387.501 4.600 0 50 GJAA O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1CCCC[C@@H]1O 4800354 GHHDPVPWALEOEL-VQTJNVASSA-N 376.389 4.848 0 50 GJAA COc1ccc(CN2CCC(N3CCCCC3)CC2)cc1OCc1ccccc1 4985846 LZYURRHNEWGDHF-UHFFFAOYSA-N 394.559 4.725 0 50 GJAA Cc1ccc(C(=O)N/C(=C\c2ccc(C(C)C)cc2)C(=O)NCC(C)C)cc1 5012050 HDVMMDCMWXHSGF-HMAPJEAMSA-N 378.516 4.662 0 50 GJAA COC(=O)c1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1 12471875 GWWHYCJSHKDKHE-QGZVFWFLSA-N 399.494 4.971 0 50 GJAA Cc1c([C@@H](C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccc(F)cc1F 12753829 PCARLZZJTIKMPE-LLVKDONJSA-N 377.822 4.669 0 50 GJAA Cc1cc(C)c2c(n1)nn1c(C(=O)O)cc(-c3ccc(Cl)cc3Cl)nc21 13645828 BVMZHLJPPYHRKL-UHFFFAOYSA-N 387.226 4.566 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 20600826 BGOFGHAHDYJVPF-LJQANCHMSA-N 391.515 4.782 0 50 GJAA COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)c1 20603466 VLFHJQAIPHMNSH-UHFFFAOYSA-N 377.416 4.648 0 50 GJAA Cc1noc(-c2ccc(N[C@H]3CC(C)(C)Cc4nc(C(C)(C)C)ncc43)nc2)n1 91997112 JWBGADYWGJOGJZ-INIZCTEOSA-N 392.507 4.653 0 50 GJAA CCCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 95526857 PMWYGHKBHKWKFK-IBGZPJMESA-N 384.476 4.910 0 50 GJAA O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1occc1Br 176475643 HTESBXITFTVQIT-UHFFFAOYSA-N 385.189 4.696 0 50 GJAA CCc1ccc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)nc1 1704309348 WXIODMAYKZXAJN-RUZDIDTESA-N 384.527 4.581 0 50 GJAA CCCCN(C(=O)c1cccc([C@H]2CCCN(C)C2)c1)[C@@H]1CCCC[C@H]1OC 1875322505 VJNQCOUIQOPWPB-YTFSRNRJSA-N 386.580 4.696 0 50 GJAA COc1ccc(COC[C@@H](O)CN2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1 1875344415 KDGRAKHXWRIJMC-UPVQGACJSA-N 395.543 4.580 0 50 GJAA O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 622861 JLHCSWXLGLDDKF-UHFFFAOYSA-N 395.894 4.897 0 50 GJAA O=C(NCC1(c2ccccc2)CCCC1)c1ccc(NC(=O)c2ccco2)cc1 658327 JCWXJAOQGTWKNM-UHFFFAOYSA-N 388.467 4.774 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)c(OC)c1 996630 HZEDRLOAQPUSCR-UHFFFAOYSA-N 399.450 4.875 0 50 GJAA COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)c(OC)c1 1002738 BNYZOZFEKCFARC-UHFFFAOYSA-N 390.483 4.935 0 50 GJAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1096426 BGXDSFOGAWUBCX-UHFFFAOYSA-N 390.405 4.505 0 50 GJAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 1158853 RAMRHFGTWHMGPU-KRWDZBQOSA-N 390.270 4.568 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 1171166 OUFOLLKVSGYXNR-GFCCVEGCSA-N 390.936 4.904 0 50 GJAA O=C(O)CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 2387018 XAUDVWHRZVURNT-UHFFFAOYSA-N 379.456 4.703 0 50 GJAA in-vitro COc1ccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccccc23)cc1 2694174 UNJMYVDISLRJPI-UHFFFAOYSA-N 395.466 4.874 0 50 GJAA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccccc1Cl 2979373 HWGJKYDCNLESLS-UHFFFAOYSA-N 397.725 4.846 0 50 GJAA COc1ccc(CNCC[C@]2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1 4024920 QDDJDPHWHGKCBL-DEOSSOPVSA-N 383.532 4.711 0 50 GJAA biogenic Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)cc1C 4649056 HLEJYGSCKGKDEY-QNGOZBTKSA-N 396.556 4.975 0 50 GJAA O[C@@H](COc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1 4819386 ZVIKABZTZWVELV-OAQYLSRUSA-N 381.903 4.782 0 50 GJAA Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2ncccc2o1 4843354 SQOKBWXOVCQSJH-UHFFFAOYSA-N 398.216 4.806 0 50 GJAA COC[C@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)C1 12198584 BIWYBKXWVRSGNJ-FQEVSTJZSA-N 375.516 4.624 0 50 GJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 12589048 CNXOMKHQYYPQNL-CQSZACIVSA-N 384.451 4.999 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)Cc1ccccc1C)O2 14882028 NILJDKSYLMFNEN-JOCHJYFZSA-N 399.490 4.527 0 50 GJAA CCC[C@@H](C)N1CC2(CCN(Cc3ccc(C)c4ncccc34)CC2)OC1=O 72407979 HOLATZHTQDNCLW-GOSISDBHSA-N 381.520 4.519 0 50 GJAA O=C(O)[C@@H]1[C@H]2c3ccc4ccccc4c3[C@@H](c3ccc4ccccc4c32)[C@H]1C(=O)O 100991153 LBRBVSQTXLMADP-UEQSERJNSA-N 394.426 4.985 0 50 GJAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)c12 169774024 VJDAHAQUJNQPCI-SFHVURJKSA-N 388.471 4.943 0 50 GJAA CC(C)OCc1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 171259344 XHLPFYPBWBBJCM-HXUWFJFHSA-N 396.487 4.752 0 50 GJAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@H](c1ccccc1)c1ccco1 220059700 VQTDICQQHMZMHE-HXUWFJFHSA-N 387.439 4.510 0 50 GJAA Cc1nnc(-c2ccc(C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)cc2)o1 492309676 PDJGNRGWJYYJCI-MRXNPFEDSA-N 387.361 4.741 0 50 GJAA C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2F)C[C@@H](C)O1 850450167 DPQSUQGKLIMIJS-HZSPNIEDSA-N 379.426 4.945 0 50 GJAA COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 952966738 DWCGZEFHYXPVIW-FQEVSTJZSA-N 386.923 4.778 0 50 GJAA Cc1ccc(-c2cccc(C(=O)N(C)[C@@H](C)c3ccc4c(c3)OCCO4)c2)o1 1506419508 DMQIMVFDIBCPRT-INIZCTEOSA-N 377.440 4.859 0 50 GJAA O=C(O)c1cnc(CN(CCC2=CCCCC2)Cc2ccc(Cl)cc2)cn1 1772706644 KIKXEGACVPTFOH-UHFFFAOYSA-N 385.895 4.721 0 50 GJAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(OC)c(Oc2cc(F)cc(CN)c2)c1 1857687289 OLEHWFAJGPGJJN-LJQANCHMSA-N 398.478 4.656 0 50 GJAA CC(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 2325840323 XRFHRUHZSJFXLK-UUKVCBHOSA-N 386.927 4.572 0 50 GJAA O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ccccc2c1Cl 752177 PVRUCJGLKWLKFV-UHFFFAOYSA-N 384.932 4.949 0 50 GJAA CCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 996661 XWTFXNCYNFNPLU-UHFFFAOYSA-N 380.882 4.519 0 50 GJAA CN(C(=O)c1ccc(COc2ccccc2Br)o1)c1ccccc1 1083443 RBHYFHROWRTCEV-UHFFFAOYSA-N 386.245 4.898 0 50 GJAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 1183359 YYNZZRIUIGPBBY-UHFFFAOYSA-N 387.464 4.551 0 50 GJAA COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccccc4)ccc23)cc1 1184499 ANRCYTVNODEVIJ-UHFFFAOYSA-N 386.403 4.730 0 50 GJAA biogenic CC(C)Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n[nH]1 12432342 ZIWALCUCFCYVDI-MRXNPFEDSA-N 393.453 4.722 0 50 GJAA COc1ccc(-n2cc(CNCc3ccco3)c(-c3cccc(F)c3)n2)cc1 12714230 RXUKMAWUSKQMLA-UHFFFAOYSA-N 377.419 4.570 0 50 GJAA CC(C)(C)N[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 19315931 GRNHCOSBGGDGMJ-AWEZNQCLSA-N 379.759 4.798 0 50 GJAA Cn1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)n1 20604303 CQMIHJZCFYFXCA-UHFFFAOYSA-N 383.377 4.717 0 50 GJAA O=C(N1CCCCC1)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1 33646693 NODAXPXIFZGBCE-UHFFFAOYSA-N 390.571 4.861 0 50 GJAA Cc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 95515318 VYARVHLTUFHHDF-UHFFFAOYSA-N 389.499 4.747 0 50 GJAA CC(C)N(CCNC(=O)[C@@H](Oc1ccccc1)c1ccc(Cl)cc1)C(C)C 96027283 YNZBZNVWRMEWBN-NRFANRHFSA-N 388.939 4.695 0 50 GJAA CO[C@H]1CCN(C(=O)Nc2ccccc2SCc2cccc(Cl)c2)C1 97679920 WHVWWDWLWLHYJW-INIZCTEOSA-N 376.909 4.885 0 50 GJAA C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)/C=C/c1nc2ccccc2o1 170613743 NQDOJYBFQVNTLL-IDVQTMNDSA-N 375.255 4.895 0 50 GJAA O=C(Nc1ccccc1OC(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622895 SNRHENZZNADVDA-UHFFFAOYSA-N 399.275 4.609 0 50 GJAA CN1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)c2cc(F)ccc21 173150652 OBTHAOUEGLDMCM-UHFFFAOYSA-N 385.826 4.621 0 50 GJAA Cc1c(COC(C)C)cccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 173336478 RHHITPQNLIIYGW-UHFFFAOYSA-N 398.894 4.715 0 50 GJAA Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 177703080 UJYLMRQLELGCRT-MRXNPFEDSA-N 397.866 4.689 0 50 GJAA Fc1ccc([C@@H]2CN(Cc3ccc(OCc4ccncc4)cc3)CCO2)c(F)c1 187296323 PKCIMYWQOOULKT-QHCPKHFHSA-N 396.437 4.512 0 50 GJAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 252444237 XNNWXFLRPFDFMK-UZLBHIALSA-N 391.540 4.801 0 50 GJAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(CSc2ccccn2)cc1 952982065 JPUPQGVPMUXWNN-UHFFFAOYSA-N 394.544 4.667 0 50 GJAA O=C(/C=C/c1ccnc2ccccc12)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1445625446 FFHNRZKULLQMLX-AATRIKPKSA-N 376.366 4.555 0 50 GJAA Cc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)c(Cl)c3)nc2-c2ccccc2)o1 1776111203 GENSRCWZGPGSPF-UHFFFAOYSA-N 394.814 4.737 0 50 GJAA Cc1cccc(Cc2noc(CCCc3ccc(O)cc3)n2)c1Br 1875322825 JVIVDWVYJUKBGM-UHFFFAOYSA-N 387.277 4.612 0 50 GJAA COc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc2cccnc12 2325822677 IQDKUHCNSQRWLD-UHFFFAOYSA-N 396.874 4.580 0 50 GJAA O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1cc(Cl)ccc1Cl 955007 RKZMSVUMGLOOPJ-UHFFFAOYSA-N 388.235 4.656 0 50 GJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1200122 OFOFPJBOJSZDEW-QWRGUYRKSA-N 399.299 4.946 0 50 GJAA O=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(OC(F)F)cc1 2791055 FWMDNAYQSVMVCH-UHFFFAOYSA-N 393.440 4.537 0 50 GJAA O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Br)cc1 2982794 HXLUISQIXKGNEC-UHFFFAOYSA-N 384.726 4.766 0 50 GJAA Cc1ccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)c4ccccc4)c3)c2c1 4777226 LGKCVIMNOKSOBQ-UHFFFAOYSA-N 397.478 4.701 0 50 GJAA O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1cccs1 4813701 SKAKRKPPFLZFNL-UHFFFAOYSA-N 388.496 4.892 0 50 GJAA Cc1ccccc1NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 5748487 CTMDCADEYVDVOF-HZHRSRAPSA-N 395.462 4.886 0 50 GJAA COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 6127447 NWOGZKVGKUPAQP-XUZZJYLKSA-N 386.451 4.946 0 50 GJAA Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 12836659 NNEZNRIDFQGOJR-GOSISDBHSA-N 382.479 4.714 0 50 GJAA Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19580067 FLAXQROSSBDTMC-GOSISDBHSA-N 383.423 4.843 0 50 GJAA CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@]1(OC(=O)C2=C1CCC=C2)[C@@H]3CCC 38231314 DZMFTLLDUYBHLI-MUSNRYMWSA-N 380.484 4.922 0 50 GJAA endogenous,in-man Cc1ccsc1CN(Cc1ccc(Sc2nncn2C)o1)C1CCCC1 55282366 NUBZNWPHPTVWAS-UHFFFAOYSA-N 388.562 4.874 0 50 GJAA COc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c2cccnc12 72436514 HNTKCHVLPYBBNG-UHFFFAOYSA-N 381.439 4.794 0 50 GJAA CN(C(=O)NC1CCCCCCC1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 170654622 IDILSTZHNJJIOF-FQEVSTJZSA-N 386.927 4.974 0 50 GJAA COc1ccc(-c2noc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2)cc1 238924039 QLWGYUISWXNZGO-QGZVFWFLSA-N 385.851 4.526 0 50 GJAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC[C@H]1CCO 828743366 SSKBVGMGONCOGO-IBGZPJMESA-N 393.483 4.697 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=O)N[C@](C)(C(=O)O)C(C)C)c(F)c3)nc2c1 1875344025 BZCICMMJOQCASN-NRFANRHFSA-N 399.422 4.563 0 50 GJAA O=C(Nc1ccc(I)cc1)c1cccc(C(F)(F)F)c1 632965 XWJZBDCFMQBJRG-UHFFFAOYSA-N 391.130 4.562 0 50 GJAA COc1ccc([C@H](C)NC(=O)CSCc2cccc(Br)c2)cc1 754771 IGMIJEZDPHQYSB-ZDUSSCGKSA-N 394.334 4.568 0 50 GJAA Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1 948942 YITLQEWLLMNFRB-UHFFFAOYSA-N 387.391 4.816 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl 957043 ADRBYRKRJMBYLY-UHFFFAOYSA-N 380.252 4.867 0 50 GJAA COc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 992650 GOUNQGIFLPHLMC-UHFFFAOYSA-N 396.468 4.733 0 50 GJAA COc1cccc(OC)c1C(=O)NCCC(c1ccccc1)c1ccccc1 995671 WNDYNPLELIWSDI-UHFFFAOYSA-N 375.468 4.656 0 50 GJAA COc1cccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)c1 1184482 QYSLMSDZQLZMKK-UHFFFAOYSA-N 380.425 4.677 0 50 GJAA CC(=O)c1cc(C(=O)CC(=O)Nc2ccccc2)sc1Nc1ccccc1 1207200 MEAMAVADGAQWCF-UHFFFAOYSA-N 378.453 4.906 0 50 GJAA Cc1cc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]c2cc1C 1444531 NISNRDGVACQEGF-UHFFFAOYSA-N 395.406 4.809 0 50 GJAA CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(C)cc1 4841095 OAZRLZWUVSSMAZ-UHFFFAOYSA-N 381.501 4.777 0 50 GJAA CC(C)c1csc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)n1 11754165 GVOVJMSKPZKFBH-UHFFFAOYSA-N 399.604 4.917 0 50 GJAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(Cc2ccccn2)C1 12304035 NGFMPSVTLHUQFG-HXUWFJFHSA-N 389.474 4.738 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324946 UFOWODVYJPANNO-UHFFFAOYSA-N 384.332 4.713 0 50 GJAA C[C@@H](Nc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1)c1ccco1 67774562 ZAGYODJYDKMWJR-MRXNPFEDSA-N 386.455 4.668 0 50 GJAA CCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21 100602473 MRNIJRRTXPTKJR-UHFFFAOYSA-N 391.254 4.676 0 50 GJAA C[C@H]1[C@H](OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]2C[C@H]1C2(C)C 239761241 CJGSJLGOYGVJOU-RARDXLECSA-N 384.520 4.544 0 50 GJAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3c2ncccc2C(=O)N2CCCC2)ccc1F 1704345253 UYTYDMWFCXFOGJ-ACDBMABISA-N 393.506 4.680 0 50 GJAA COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1 990946 ZUWISPYELZCSBY-UHFFFAOYSA-N 397.430 4.950 0 50 GJAA CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(OC)cc1)c1ccccc1 993148 DAIPNISQRXNLOI-HSZRJFAPSA-N 389.451 4.908 0 50 GJAA CCOC(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1C 1114605 GAVZLZWIWOAAFH-UHFFFAOYSA-N 394.452 4.505 0 50 GJAA CCOC(=O)c1c(C)oc2ccc(O[C@H](C(=O)OCC)c3ccccc3)cc12 1155756 AFMSVNRTDPELSQ-FQEVSTJZSA-N 382.412 4.601 0 50 GJAA biogenic O=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 1186754 NREWIVXETBCCOU-UHFFFAOYSA-N 380.831 4.610 0 50 GJAA COc1cc(NC(=O)CCCOc2ccc(Cl)cc2)c(OC)cc1Cl 1773665 KNYKBNFRMRMXSC-UHFFFAOYSA-N 384.259 4.808 0 50 GJAA CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)Cc2ccsc2)cc1 14881244 DCFVWQMRMBATPI-UHFFFAOYSA-N 394.540 4.949 0 50 GJAA CCc1cc2c3c(c1)[C@]1(NCCc4c1[nH]c1ccccc41)C(=O)N3C(C)(C)C[C@@H]2C 19890845 HEHNRBQRNGNKME-QWXGXRTQSA-N 399.538 4.752 0 50 GJAA biogenic CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cn1 20615074 RJJYIWGSJJSDCI-UHFFFAOYSA-N 381.430 4.917 0 50 GJAA COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 239386722 QDFYVWRFPZHCGO-VWNXMTODSA-N 386.451 4.946 0 50 GJAA Cc1ccc(Oc2ccc(-c3noc([C@H]4[C@H]5C(=O)O[C@H]6C[C@H]4C[C@@H]65)n3)cc2)cc1 245255815 LCVTXKPVIPUEBE-OITRIXBGSA-N 388.423 4.502 0 50 GJAA O=C(c1cccs1)N1CCC(NCC[C@H](c2ccccc2)c2ccco2)CC1 828187291 HHWSPMMUMWQKDZ-HXUWFJFHSA-N 394.540 4.758 0 50 GJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@@H]1C[C@H]1c1cccs1 1857798597 QDEZCWUUZQNJFB-CHWSQXEVSA-N 375.906 4.586 0 50 GJAA O=C(Nc1ccc(Sc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1 1875264087 GNTSEQSFQDQUFG-UHFFFAOYSA-N 382.407 4.721 0 50 GJAA Cc1cc2c(cc(C(=O)Nc3c[nH]nc3-c3nccs3)n2CC2CC2)s1 1875332280 OFCGJPGBQOWCBK-UHFFFAOYSA-N 383.502 4.520 0 50 GJAA C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(SC(F)F)cc1 2325743984 XMNIKCXCXBULIQ-CYBMUJFWSA-N 379.476 4.946 0 50 GJAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 636908 KTFIQTRRWHHMGH-UHFFFAOYSA-N 384.284 4.973 0 50 GJAA Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2cccs2)C3)cc1 1071074 ZOWUVIRVCJQEOV-INIZCTEOSA-N 379.481 4.963 0 50 GJAA O=C(c1ccco1)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 1164730 OMYOYPQTLBDUGH-UHFFFAOYSA-N 388.511 4.629 0 50 GJAA Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(I)cc1 1169704 ZJJJBIPWZKQQOE-UHFFFAOYSA-N 383.229 4.742 0 50 GJAA COc1ccc2[nH]cc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 1385133 WQGDHQMJHAVGCF-UHFFFAOYSA-N 377.366 4.560 0 50 GJAA O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2F)cs1 2749713 CPNFPPVVKQZZMH-UHFFFAOYSA-N 380.803 4.759 0 50 GJAA O=C(Nc1cccnc1Cl)c1ccn(COc2ccc(Cl)cc2Cl)n1 2794184 LSVXJZHAFQOACA-UHFFFAOYSA-N 397.649 4.527 0 50 GJAA Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2ccco2)C3=O)cc1C 4809732 PCKBZFHPYBOGQL-HSZRJFAPSA-N 399.450 4.738 0 50 GJAA CC(=O)c1ccc(Nc2cc(C)nc3nc(Cc4ccc(Cl)cc4)nn23)cc1 6765959 KJMWNRGVQGBVLK-UHFFFAOYSA-N 391.862 4.623 0 50 GJAA COc1ccc(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)c(OC)c1 11668161 RGXOVBJDGCXGCH-OAQYLSRUSA-N 393.487 4.789 0 50 GJAA COc1ccc(NC(=O)[C@H]2CC23CCN(C[C@H]2CC=CCC2)CC3)cc1Cl 12038907 KQDNMVUGAZOKPR-FUHWJXTLSA-N 388.939 4.746 0 50 GJAA CCN(Cc1cccc(C(C)=O)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 12073794 BWWLSGSZQIRPAK-HSZRJFAPSA-N 396.550 4.805 0 50 GJAA Cc1cccc(-c2cc(NC(=O)COc3ccc(Cl)cc3Cl)[nH]n2)c1 22184696 SMTVJIRJVHRRFB-UHFFFAOYSA-N 376.243 4.709 0 50 GJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Br)c(C)c1 33087355 ZERWPTJJHRWOPU-OAHLLOKOSA-N 392.297 4.985 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 245170782 XGDNAHHETPDYMY-UNMCSNQZSA-N 391.858 4.986 0 50 GJAA COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1O 263586178 QXFQTVMULLQMBI-GOSISDBHSA-N 398.462 4.878 0 50 GJAA biogenic O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(Cl)cnn1C1CCCC1 1875293082 BSPDMHFPTVEPNP-UHFFFAOYSA-N 379.798 4.718 0 50 GJAA O=C(N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc2cc(F)ccc2[nH]c1=O 1875341331 PAXFVHKHIMUSDU-KDOFPFPSSA-N 398.865 4.777 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)N(CC)CC)cc12 639355 WHZQZVBSJSUZBN-UHFFFAOYSA-N 395.455 4.524 0 50 GJAA CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1 850650 KPKSDJGFVFCNJF-UHFFFAOYSA-N 386.407 4.546 0 50 GJAA O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccco1 887476 HNCHWANAOOMCDY-UHFFFAOYSA-N 382.872 4.984 0 50 GJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(I)cc1 937143 WTGHUJYJJDQAFT-XCVCLJGOSA-N 383.616 4.597 0 50 GJAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C(=O)O)c1 948613 VJXLCXYGAUUNAC-UHFFFAOYSA-N 384.819 4.815 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1cc(OC)ccc12 2532675 HFSQTYUJSARKKG-UHFFFAOYSA-N 387.435 4.817 0 50 GJAA O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 2875193 QDIYDWJXGZMVHL-UHFFFAOYSA-N 379.803 4.580 0 50 GJAA O=C(O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 4957201 IDWBYRHHRXRAQV-UHFFFAOYSA-N 388.828 4.663 0 50 GJAA O=C(c1cccc(F)c1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5484182 QDOULXFWEWVWSY-UHFFFAOYSA-N 379.435 4.851 0 50 GJAA CC1(CCC(=O)N2CC[C@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 12198048 SJFNXARHXIHAKB-SFHVURJKSA-N 390.518 4.606 0 50 GJAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccccc1Cl 12712961 ZEMBJSPVJOFARC-QGZVFWFLSA-N 388.914 4.506 0 50 GJAA O=C(NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1ccc(-c2ccccc2)cc1 14991803 KUMPHCYLORMTHW-HSZRJFAPSA-N 388.442 4.610 0 50 GJAA CCc1ccccc1N/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)c2ccccc21 18115865 MGOSLBJPBQLWPF-CJLVFECKSA-N 398.462 4.898 0 50 GJAA CNc1nc(NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)ncc1F 71759821 APRNXHATUHFOCY-UHFFFAOYSA-N 379.414 4.865 0 50 GJAA CN(C)c1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](C(C)(C)C)C2)cc1 170608976 IXRHVZWWQNFNKX-NRFANRHFSA-N 394.588 4.652 0 50 GJAA COc1ccc2[nH]cc(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c2c1 252511076 ZTFKMUXDDMWSLS-UHFFFAOYSA-N 390.405 4.700 0 50 GJAA CC(C)n1cccc1CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 252533104 FVPGJMZTRVHXCZ-UHFFFAOYSA-N 378.501 4.955 0 50 GJAA CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)O 252540072 ORXOWLQQKRYEGW-GMVOTWDCSA-N 391.870 4.617 0 50 GJAA CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C(=O)O)cc1 263566716 GEJFTZSPPYQPOC-UHFFFAOYSA-N 395.286 4.542 0 50 GJAA COc1ccc(OC)c2[nH]c(C(=O)Nc3cccc4c3ccn4C(C)C)cc12 952963487 UDHUTRUFQRILQU-UHFFFAOYSA-N 377.444 4.973 0 50 GJAA CSc1cccc(NC(=O)N(CCc2ccccc2)C2CCN(C)CC2)c1 1506406992 LIFFLPVRJSUCAD-UHFFFAOYSA-N 383.561 4.579 0 50 GJAA Oc1cccc(-c2nc([C@H]3CC34CCCC4)n(Cc3ccc4ccccc4n3)n2)n1 1875331378 XNMHGBMKSURDLN-GOSISDBHSA-N 397.482 4.690 0 50 GJAA CC(C)c1nc(CS(=O)(=O)[C@@H](C)c2cccc(OC(F)(F)F)c2)cs1 2325829777 SFMFTAXPJXADGD-NSHDSACASA-N 393.452 4.841 0 50 GJAA O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1 626269 FDBLQOXFUDAIKT-UHFFFAOYSA-N 398.491 4.936 0 50 GJAA O=S(=O)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 1100714 YYDJTJGFHTVGGF-UHFFFAOYSA-N 388.055 4.544 0 50 GJAA in-vitro O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccccc1Cl 2497572 ABCOBCDAXDYTBW-UHFFFAOYSA-N 380.753 4.678 0 50 GJAA COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2Br)c1 2848502 LIDDCWBINVRJTB-FQEVSTJZSA-N 396.284 4.977 0 50 GJAA CC(C)(C)c1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 2993051 BASKFXMHZJBRHV-UHFFFAOYSA-N 388.320 4.940 0 50 GJAA COc1ccc(CCn2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1 12037108 QLUIPTNIHPMANP-UHFFFAOYSA-N 394.500 4.771 0 50 GJAA O=C1CC[C@@H](CCNCc2ccccc2F)N1Cc1cccc(C(F)(F)F)c1 12213754 QUBGROUHXAPPHE-SFHVURJKSA-N 394.412 4.515 0 50 GJAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl 12711636 KRKPCQYZSGVBEH-MRXNPFEDSA-N 387.817 4.611 0 50 GJAA O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccoc1 14993954 MPFJTGYTJGBYBQ-OAHLLOKOSA-N 387.357 4.699 0 50 GJAA CCOc1ccc(CN(Cc2cccc(Oc3ncccn3)c2)C2CC2)cc1 55168729 AYUAKYBAQSUFAQ-UHFFFAOYSA-N 375.472 4.832 0 50 GJAA CCCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 95513352 GGASWDWHNQOMMD-GOSISDBHSA-N 396.487 4.559 0 50 GJAA C[C@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101886529 UVNVIINRUYTRNB-GPYTYOPGSA-N 379.843 4.834 0 50 GJAA O=C(Nc1ccc(Sc2ccccc2)c(Cl)c1)N1CCC[C@H](CO)C1 123510680 ZDJMDALOPRVGQG-AWEZNQCLSA-N 376.909 4.727 0 50 GJAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1N1CCCC1=O 170633808 PIOSIDQSDGCFKO-QGZVFWFLSA-N 397.475 4.564 0 50 GJAA COc1ccc(OC)c([C@@H]2CCCN2c2cc(C)c(Br)cn2)c1 225517995 HEOQJTJLXHRGPS-INIZCTEOSA-N 377.282 4.511 0 50 GJAA C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 239248061 XYXSWNLJRUZOJN-ZGRQWDIUSA-N 385.551 5.660 0 50 GJAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 253522795 SDQNQTAIUAGGQL-RMVFICBOSA-N 383.576 4.859 0 50 GJAA Cc1nc2ccccc2nc1N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 301278088 LJJXDCZXRWRIEZ-OAHLLOKOSA-N 383.455 4.759 0 50 GJAA Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(-c3ccccn3)c2C)no1 329579000 WLUKFVWSVLPQRM-FQEVSTJZSA-N 376.460 4.506 0 50 GJAA Cc1nc(-c2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2)oc1C 1875253102 FBFWOYSYGHLGSZ-FQEVSTJZSA-N 376.460 4.677 0 50 GJAA Cc1cccnc1-c1nc([C@@H](C)Oc2ccc(Br)cc2Cl)no1 1875331492 JRBSKMMEWXCKLV-SNVBAGLBSA-N 394.656 4.996 0 50 GJAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@](C)(c3ccccc3)CC2)c1C 1875345452 YAHCBYIIZVGKIX-NOZRDPDXSA-N 381.560 4.795 0 50 GJAA O=C(Nc1nc2cccc(F)c2[nH]1)c1sc(C2CC2)nc1-c1ccccc1 2325862218 NEQJFNBAUMQKCB-UHFFFAOYSA-N 378.432 4.955 0 50 GJAA O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 636882 XWFABQACWKXACS-UHFFFAOYSA-N 375.049 4.773 0 50 GJAA C[C@@H](c1ccccc1)N1C(=O)c2ccc(Oc3ccc(C(=O)O)cc3)cc2C1=O 990910 YXHYOFGCOMQQIP-AWEZNQCLSA-N 387.391 4.534 0 50 GJAA COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1Cl 2763489 MDEXLWDALQHVQF-UHFFFAOYSA-N 375.783 4.912 0 50 GJAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 4899630 JBZXLQHJZHITMW-ARBPTSGCSA-N 391.467 4.653 0 50 GJAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 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CC1=CC2(CCN(C(=O)CCc3ccc(-c4ccc(Cl)cc4)[nH]3)CC2)OCC1 1704315296 RAFYQAIRLJVGKR-UHFFFAOYSA-N 398.934 4.996 0 50 GJAA CCCC[C@@H]1CN(C(=O)c2c(-c3ccccc3)ccnc2C)C[C@H](C2CC2)O1 1875250074 VVFAPMQSVKBTJF-IFMALSPDSA-N 378.516 4.867 0 50 GJAA Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 678700 ONAZAQXKZUDIBH-UHFFFAOYSA-N 376.481 4.803 0 50 GJAA CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)ccc1C 992862 HQTTXEOZFSLGEV-QHCPKHFHSA-N 387.435 4.734 0 50 GJAA Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 1184002 VEIUFDHWTNYIJH-UHFFFAOYSA-N 387.464 4.930 0 50 GJAA O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1c1cccc(Cl)c1 1206948 OJGLFKHPHRONMN-XFFZJAGNSA-N 384.638 4.936 0 50 GJAA CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1 2052345 HKKOOWZZZLKAGL-UHFFFAOYSA-N 385.514 4.602 0 50 GJAA CCCCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 2734547 XEOIJGLPWCTGPY-SNVBAGLBSA-N 388.320 4.984 0 50 GJAA Cc1c([C@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc12 12073893 ASEPRTYQJJZOGK-INIZCTEOSA-N 385.467 4.913 0 50 GJAA CC(C)C[C@@H](C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 12429952 BPMVXZSZXCQKSZ-LJQANCHMSA-N 382.552 4.526 0 50 GJAA Cc1c([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cnn1-c1ccccn1 14981551 ADAUSJVRSYAYSY-GOSISDBHSA-N 396.494 4.585 0 50 GJAA COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)ccc1F 20206550 JSWYMRBZENZHIZ-DEOSSOPVSA-N 387.458 4.858 0 50 GJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 35986337 GOHNMMIOXQNTHS-KRWDZBQOSA-N 383.442 4.743 0 50 GJAA O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1C[C@H]2C=C[C@@H]1C2 43641885 FBKHDHFXFPTYQU-GGNLRSJOSA-N 385.916 4.700 0 50 GJAA CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3cc(C)ccc3C)cn12 67818393 ZKCMGYPLGZRRPG-UHFFFAOYSA-N 390.512 4.737 0 50 GJAA O=C(c1n[nH]cc1Cl)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71405652 JGJUXVHSWHTAMS-GFCCVEGCSA-N 385.817 4.567 0 50 GJAA CCCSc1ccc(NC(=O)N2CCC(OCc3cccnc3)CC2)cc1 95516421 CBVVJBBIPWDNFY-UHFFFAOYSA-N 385.533 4.797 0 50 GJAA c1ccc(C[C@@H]2COC(C3(C4=N[C@H](Cc5ccccc5)CO4)CCCC3)=N2)cc1 888086729 RSBSWYBZVIWBOP-FGZHOGPDSA-N 388.511 4.627 0 50 GJAA O=C(CSc1ccncc1)Nc1ccc2c(Oc3ccccc3)ncnc2c1 1875254366 GKESVWZINFXJPH-UHFFFAOYSA-N 388.452 4.548 0 50 GJAA CCN(C(=O)c1nc(CC(F)(F)F)sc1C)C12CC3CC(CC(C3)C1)C2 2325827490 HXJWEJOIHWHYQT-UHFFFAOYSA-N 386.483 4.987 0 50 GJAA Fc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 628540 GTAFWZFSESLJSP-UHFFFAOYSA-N 390.487 4.824 0 50 GJAA COc1ccc(OCc2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 1122582 BBMWMAGUZUVZIP-UHFFFAOYSA-N 394.500 4.738 0 50 GJAA COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 1134876 OJQBSILUKSTXID-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA O=C(O)c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 2857238 FFPBVILKCOTCQV-UHFFFAOYSA-N 385.670 4.610 0 50 GJAA CCCc1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 2977663 GSTWRPDGNFSQSA-UHFFFAOYSA-N 398.488 4.722 0 50 GJAA O=C(NC[C@H]1CCCO1)c1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 4833584 GLVRWFPNMICOAU-HXUWFJFHSA-N 386.495 4.689 0 50 GJAA COc1ccccc1NC(=O)COc1ccccc1CNC1CCCCCCC1 5027780 VFLYEHRZTRWZSM-UHFFFAOYSA-N 396.531 4.915 0 50 GJAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3ccccc3F)C2)c1 12037352 NCKMENIISDETLJ-LJQANCHMSA-N 389.474 4.919 0 50 GJAA COC(=O)c1ccc(-c2nc(CN(C)[C@@H]3CCCc4ccccc43)c(C)o2)cc1 12430611 RJKVNQCZXKCVMB-JOCHJYFZSA-N 390.483 4.946 0 50 GJAA CC(C)Cn1c(=O)c(CNCCc2c[nH]c3ccccc23)cc2ccc(F)cc21 20256353 CWJYVEPYADSSGU-UHFFFAOYSA-N 391.490 4.610 0 50 GJAA Cc1nc(NCc2ccsc2)sc1-c1ccn(-c2ccc3c(c2)OCO3)n1 23428923 XGLUWEBIKZGCQQ-UHFFFAOYSA-N 396.497 4.707 0 50 GJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1O 42915203 JAXFDTUPZMGGSH-QGZVFWFLSA-N 397.906 4.824 0 50 GJAA Fc1ccccc1CN1CCC[C@]2(CCN(Cc3cccc4cnccc34)C2)C1 55211548 JGYHDRDIBZMICB-VWLOTQADSA-N 389.518 4.862 0 50 GJAA COc1cccc(C)c1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67459628 APEUHJASDYCHHI-KRWDZBQOSA-N 380.271 4.524 0 50 GJAA Cc1cc(N2CCC(c3nccn3Cc3ccccn3)CC2)nc2ccccc12 95498571 YNXNOFVOMMTPKY-UHFFFAOYSA-N 383.499 4.567 0 50 GJAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@H]1C=C[C@H]2C1=C1CCCCC1 101895493 UGQLSXAXRJZOBG-LSOMNZGLSA-N 387.401 4.888 0 50 GJAA C[C@H]1CN(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC[C@@H]1c1ccccc1 152906463 ARTHSWBIVYTCEQ-UWJYYQICSA-N 388.471 4.926 0 50 GJAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc2cc(C(F)(F)F)ccc2s1 170613352 PNUQRKVMSHZAKR-BBRMVZONSA-N 396.478 4.914 0 50 GJAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]2C1 239038742 DVKDIXUNHPLEDU-HVETUWLQSA-N 391.511 5.702 0 50 GJAA Cc1ccc([C@@H]2c3ccccc3O[C@@]3(c4ccccc4)[C@H]2C3(Cl)Cl)cc1 239309207 HHPXRYVQBGSVJS-FSSWDIPSSA-N 381.302 6.219 0 50 GJAA CCc1c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cnn1C(CC)CC 252511077 ZTHCDTNQSXBLOP-UHFFFAOYSA-N 393.535 4.703 0 50 GJAA COC(=O)[C@H](Sc1cc(Br)ccc1CN(C)C)c1ccccc1 498049311 JGZXGOZQWCUUJI-QGZVFWFLSA-N 394.334 4.517 0 50 GJAA CC(C)CCCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704336252 IASUGJRSIHDTOJ-XMMPIXPASA-N 377.532 4.776 0 50 GJAA CCc1onc(C)c1CNCc1ccc(Nc2cc(C(F)(F)F)ccn2)cc1 2325793618 ASBMRVVUVHAZAQ-UHFFFAOYSA-N 390.409 4.993 0 50 GJAA N[C@@H]1CCCc2cc(-c3nc(-c4cnn(-c5cccc(Cl)c5)c4)no3)ccc21 2325821845 FSBTVGWPWYNYGS-LJQANCHMSA-N 391.862 4.579 0 50 GJAA CC(=O)Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2 642733 HLGQEDDEQRAZJC-UHFFFAOYSA-N 381.067 4.741 0 50 GJAA CC(=O)n1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c2ccccc21 656856 XARHZZOCHBTSGH-MOSHPQCFSA-N 386.451 4.943 0 50 GJAA COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1C 752386 JBNJFHLYRNSSSM-UHFFFAOYSA-N 378.438 4.653 0 50 GJAA CCc1cc2c3c(c(=O)oc2cc1OCc1cc(C(=O)OC)oc1C)CCCC3 1183842 SMXZQCPUJIAFNP-UHFFFAOYSA-N 396.439 4.501 0 50 GJAA COC(=O)c1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1 1208685 MQPOFNYUELDXDG-UHFFFAOYSA-N 385.423 4.836 0 50 GJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1 1213394 VREYYBQTIPMPFD-UHFFFAOYSA-N 379.466 4.683 0 50 GJAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C(c1ccccc1)c1ccccc1 2872530 KAPBRJCXRLLTSE-UHFFFAOYSA-N 385.442 4.841 0 50 GJAA CC[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)C12CC3CC(CC(C3)C1)C2 4578090 HMCNXFWXSDQLLH-RNJZWHOHSA-N 397.968 4.622 0 50 GJAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4653869 ABGMROJQDYKVHQ-ZDCBYCKXSA-N 383.532 4.833 0 50 GJAA O=C(NCCOc1cccc(Cl)c1Cl)NC12CC3CC(CC(C3)C1)C2 4717717 AXVNKFBXFOUEQA-UHFFFAOYSA-N 383.319 4.640 0 50 GJAA Cc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 4868367 FPBBODVWQWTGSC-UHFFFAOYSA-N 399.878 4.514 0 50 GJAA COc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OC)cc3)c2)cc1 4989861 PPZAQICXYGUGFN-UHFFFAOYSA-N 390.439 4.517 0 50 GJAA Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NC2CCCCC2)cc1 6142580 QFIBSPUMMVWKRP-QNGOZBTKSA-N 396.918 4.868 0 50 GJAA CC(C)C(=O)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1 12245257 CEULBVKRKSTHFC-FQEVSTJZSA-N 387.545 4.533 0 50 GJAA Cc1ccc(-c2n[nH]cc2CNCc2ccc(OC(F)(F)F)cc2)cc1C 12305722 LLFUXPANQIOCIZ-UHFFFAOYSA-N 375.394 4.882 0 50 GJAA O=C(NCc1ccccn1)c1sc2cccc(Br)c2c1Cl 16604459 NFECPWQBQOXZND-UHFFFAOYSA-N 381.682 4.642 0 50 GJAA Cc1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 17078380 LXBSRMCXFDTNPA-UHFFFAOYSA-N 383.605 4.587 0 50 GJAA Cc1ccc(-c2c(C(F)(F)F)nn3c(NC[C@@H]4CCCO4)cc(C)nc23)cc1 21799445 JDZDFJPKFNSFPE-HNNXBMFYSA-N 390.409 4.623 0 50 GJAA CCn1cc(-c2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c3ccc(C)cc3n2)cn1 63848590 QZNWTEWRIMIDQG-CALCHBBNSA-N 376.504 4.830 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(c2nccs2)C1 95505573 GXURZKQRUUGSLQ-KRWDZBQOSA-N 381.476 4.804 0 50 GJAA O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(c2c[nH]c3ncccc23)CC1 151291980 OMOSTMSWKNEBPB-HZPDHXFCSA-N 397.881 4.865 0 50 GJAA C[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@@H]1c1ccccc1 170643664 UAMDNSIJCZJCRZ-LRDDRELGSA-N 387.361 4.589 0 50 GJAA Cc1ccc(S(=O)(=O)C2=C([Si](C)(C)C)[C@H]3C[C@H]2[C@@H]2[C@@H]3[C@H]3C=C[C@H]2C3)cc1 195812825 ICWLQQYPCCHARK-AMQFHODYSA-N 384.617 4.988 0 50 GJAA CC[C@H](O)c1nccn1CC(=O)c1c(-c2ccccc2)n(CC)c2ccccc12 239352441 ACEXMSSXJCQFNX-FQEVSTJZSA-N 387.483 4.851 0 50 GJAA CC[C@H](C)[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2[nH]1 252536454 IPTFGFMMVMYEEP-LAUBAEHRSA-N 391.515 4.515 0 50 GJAA C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@H]1C(=O)O 381888246 CJXLKGZDLUALHA-NZQKXSOJSA-N 379.456 4.559 0 50 GJAA O=C(NC1CCC(O)(c2ccccc2)CC1)N1CCC(c2ccc(F)cc2)CC1 761037451 XXSORGKROWBWMR-UHFFFAOYSA-N 396.506 4.545 0 50 GJAA COc1ccc(C[C@@H](C)C(=O)N2CCC(c3cccc4cnccc34)CC2)cc1 1875261450 CSLBMVDUODQHOM-GOSISDBHSA-N 388.511 4.828 0 50 GJAA Cc1sc2nc([C@@H](C)OC(=O)c3ccc(O)c4ccccc34)nc(O)c2c1C 1875264477 MIZWJAUNIRHEPS-LLVKDONJSA-N 394.452 4.791 0 50 GJAA Cc1cc(-c2nc([C@H](C)Oc3ccc(Br)cc3Cl)no2)ccn1 1875331633 QQEKWKYJEYNJKA-JTQLQIEISA-N 394.656 4.996 0 50 GJAA NC[C@@H](CC(=O)Nc1ccc2ccsc2c1)c1ccc(Br)s1 2325861689 XUJDBLUGXOLKEN-LLVKDONJSA-N 395.347 4.796 0 50 GJAA O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1 672734 WMIVDCBINGFJRG-UHFFFAOYSA-N 378.266 4.637 0 50 GJAA O=C(COc1ccccc1Cl)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 692321 OXJKLMZODXXUPK-UHFFFAOYSA-N 395.802 4.668 0 50 GJAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br 1166006 DMEWXOISMHSIPI-UHFFFAOYSA-N 389.293 4.700 0 50 GJAA CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 1748244 PRZLQINXGUKHRX-HNNXBMFYSA-N 396.439 4.579 0 50 GJAA biogenic O=C(Nc1ccc(F)cc1)Nc1nnc(CSCc2ccccc2F)s1 2596740 PAAKUOQYZJJXPK-UHFFFAOYSA-N 392.456 4.894 0 50 GJAA CC(C)OC(=O)c1ccc(COC(=O)COc2ccc(Cl)cc2Cl)cc1 2845114 PUBOMHVUUFATAD-UHFFFAOYSA-N 397.254 4.681 0 50 GJAA O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2861046 IJTLSDASTZILSR-UHFFFAOYSA-N 396.240 4.921 0 50 GJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(F)cc1 8077544 GJEYVMFNQFFDHT-UHFFFAOYSA-N 376.790 4.554 0 50 GJAA CC(=O)c1cccc(CN(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1 12432438 DBHGGDFWVOIHGC-QFIPXVFZSA-N 398.978 4.929 0 50 GJAA O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccc2cccnc12 14257225 UJDFEXAGIOUMIC-UHFFFAOYSA-N 390.464 4.615 0 50 GJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44933501 AIRPJRFXWKKXLU-MRXNPFEDSA-N 388.914 4.877 0 50 GJAA CC(=O)c1cccc(CN2CC[C@@]3(CCCN(Cc4cccc(C)c4)C3)C2)c1 55099899 YHVLAWWYNOCQEZ-RUZDIDTESA-N 376.544 4.686 0 50 GJAA CCC[C@@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nccn1C 95525136 WQJJWLYUYFXDCV-GOSISDBHSA-N 384.505 4.968 0 50 GJAA COCc1nc(NCc2ccc(O)cc2)c2c(-c3ccccc3)csc2n1 109683242 JZNUEVRLTFKEIR-UHFFFAOYSA-N 377.469 4.822 0 50 GJAA COc1ccccc1COC1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 179753037 ZPZIEHDVHFQZEN-UHFFFAOYSA-N 396.462 4.671 0 50 GJAA Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3scnc3C)n[nH]2)o1 1506404430 UJOKPMXPNXHXNB-UHFFFAOYSA-N 392.484 4.586 0 50 GJAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@](C)(c3ccccc3)CC2)c1C 1875345453 YAHCBYIIZVGKIX-UKILVPOCSA-N 381.560 4.795 0 50 GJAA CCN(Cc1ccc(F)cc1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 2325738614 SOHGSGBFYGSEIK-UHFFFAOYSA-N 385.464 4.697 0 50 GJAA CCOc1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 1196044 DQIZATYPACYSGZ-UHFFFAOYSA-N 377.263 4.710 0 50 GJAA CCc1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)cc1 1207962 NMPFCKYAHMXDEW-UHFFFAOYSA-N 378.453 4.858 0 50 GJAA COc1ccc(OC)c(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)c1 2762949 MEUPANLPHVVXAB-UHFFFAOYSA-N 390.483 4.935 0 50 GJAA Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1Br 2830633 QCZYKWYEECZQBU-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccccc1 2866351 YPGZDTKLJDITON-UHFFFAOYSA-N 384.435 4.542 0 50 GJAA Nc1c(C(=O)N2CCCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 2872260 GEQPBPBRCHNTIZ-UHFFFAOYSA-N 391.418 4.800 0 50 GJAA O[C@H](CN1CC=C(/C=C/c2ccc(Br)cc2)CC1)c1ccccc1 4006883 VABIWRWPHBKECP-IRUYWQDXSA-N 384.317 4.828 0 50 GJAA COc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(OC)cc1Cl 10339127 JWFXTGWLJNGOAC-UHFFFAOYSA-N 388.895 4.595 0 50 GJAA C[C@H](CC1(C)CC1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 11841739 FZDXIHKAFKGLLT-LJQANCHMSA-N 384.564 4.735 0 50 GJAA CSc1nc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)cs1 12151540 IUDHLBVNWQXKHK-UHFFFAOYSA-N 398.557 4.583 0 50 GJAA Cc1ccc(-c2nc(CN3CCC([C@@H](O)Cc4ccccc4)CC3)c(C)o2)cc1 20775768 AMMKTOJCFYLEIP-DEOSSOPVSA-N 390.527 4.774 0 50 GJAA CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3cc(C)cc(C)c3n2)cn1 63882704 QVBBQUVRDOYNKR-KRWDZBQOSA-N 376.504 4.750 0 50 GJAA COc1cc(OC)c(NC(=O)c2csc(-c3ccccc3Cl)n2)cc1F 120653994 ZPEHSCITUNLILW-UHFFFAOYSA-N 392.839 4.872 0 50 GJAA CCc1cnc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)s1 175827045 WIHRXEWZWWXVKS-UHFFFAOYSA-N 379.476 4.638 0 50 GJAA Cc1cc(C)c2c(c1)CCN(C(=O)Nc1ccc(Oc3nccc(C)n3)cc1)C2 189100115 QIPBGWOERMDFBU-UHFFFAOYSA-N 388.471 4.784 0 50 GJAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@H]21 239121129 JIUIERPXYBEDNJ-XARZLDAJSA-N 383.447 5.334 0 50 GJAA COc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Br)cc3)n2)cc1 328579107 RIGASWYCUSJGLO-UHFFFAOYSA-N 384.229 4.885 0 50 GJAA COc1ccccc1N1CC[C@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 482118498 IBAJPOZWUWYYTM-WOJBJXKFSA-N 387.527 4.934 0 50 GJAA CCCC(=O)c1cn(CC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c2ccccc12 952860992 AZXQXGVVGCTACR-OAHLLOKOSA-N 376.456 4.586 0 50 GJAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704299957 SJBPDIUGOXOIGB-ZBFHGGJFSA-N 376.806 4.518 0 50 GJAA Cc1oc(-c2ccco2)nc1CC(=O)N(Cc1ccncc1)CC1CCCCC1 1875256369 YDMBJWBCVNOLQT-UHFFFAOYSA-N 393.487 4.790 0 50 GJAA Cc1noc(C2CC2)c1C(=O)Nc1cccc([C@@H](C)Sc2nccn2C)c1 2325803024 JIRLGLZVZMLLEA-CYBMUJFWSA-N 382.489 4.700 0 50 GJAA O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2cncc(Cl)n2)CC1 2325875737 ASFQUIALLMPJHR-UHFFFAOYSA-N 399.903 4.542 0 50 GJAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1OC 671370 CLNABBVXOSPHJV-ZRDIBKRKSA-N 380.469 4.788 0 50 GJAA NC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 1000872 HOKIGSODNJRYMC-NBVRZTHBSA-N 388.492 4.515 0 50 GJAA CCOC(=O)[C@@H](Oc1cc2c3c(c(=O)oc2cc1C)CCCC3)c1ccccc1 1050216 ZFDGWFYLGOOSDK-QFIPXVFZSA-N 392.451 4.663 0 50 GJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(Cl)(Cl)Cl 1114458 OIUVLVUXRXFHGE-UHFFFAOYSA-N 392.691 4.819 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(C(F)(F)F)s1 1126325 JXRQVCHFFVCCSM-UHFFFAOYSA-N 377.391 4.718 0 50 GJAA O=C(NCc1ccco1)c1cccc(COc2ccccc2Br)c1 2750288 SFKONDVECOQXNP-UHFFFAOYSA-N 386.245 4.551 0 50 GJAA Cc1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cc1C 2877909 BDCSTWXHUZSGQB-UHFFFAOYSA-N 385.290 4.899 0 50 GJAA COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 2982767 HRSFMKTZEGQCOK-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1CCCCC1 4828423 ZZSZPLRHPLEWMO-VWLOTQADSA-N 376.544 4.994 0 50 GJAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12054726 BZGJGSXQZJKEPA-IBGZPJMESA-N 379.891 4.621 0 50 GJAA O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccco1 12210786 XQJGQEWMBQCBAG-AWEZNQCLSA-N 387.357 4.699 0 50 GJAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CC12CCCCC2 12702319 FIYNFTWCWYQADN-NRFANRHFSA-N 386.555 4.509 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 67805790 WMMBGWBGUGYVNF-IBGZPJMESA-N 384.483 4.886 0 50 GJAA O=C(c1ccncc1F)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71761489 QTYDQWNDPUFZMM-AWEZNQCLSA-N 380.385 4.725 0 50 GJAA Cc1c(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)cnn1-c1ccncc1 131271743 LLDULYHLFSHGRG-ZDUSSCGKSA-N 398.919 4.760 0 50 GJAA Cc1ccc2c(c1)NC(=O)CN(C(=O)c1ccccc1Cl)[C@@H]2c1ccccc1 170618440 LTYWZZZYBJOCCU-JOCHJYFZSA-N 390.870 4.832 0 50 GJAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 170629073 FIJOJDKKZICKQI-RHSMWYFYSA-N 397.425 4.598 0 50 GJAA CC(C)n1ccc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)n1 214973460 UHJCJWFASAVXGA-UHFFFAOYSA-N 378.520 4.963 0 50 GJAA CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 537931 JCCNYMKQOSZNPW-UHFFFAOYSA-N 382.891 4.888 0 50 GJAA biogenic,fda O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 939887 VNLATJBQUDMTHB-UHFFFAOYSA-N 394.268 4.729 0 50 GJAA Cc1sc2ncn3nc(-c4cccc(OC(F)(F)C(F)F)c4)nc3c2c1C 2790863 PRRPLQMNDJYEMQ-UHFFFAOYSA-N 396.369 4.860 0 50 GJAA Fc1ccc(F)c(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 2803084 LLZKMFFZWBUCSU-UHFFFAOYSA-N 378.835 4.672 0 50 GJAA COc1ccc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1OC 4809647 ZJSBRODNFGRHJB-UHFFFAOYSA-N 387.439 4.579 0 50 GJAA Cc1cc(Br)ccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C 4845506 DCAYTHIXSYPQDP-UHFFFAOYSA-N 390.321 4.964 0 50 GJAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4[nH]3)c2)cc1OC 5490824 MCICGAMSSGINIQ-UHFFFAOYSA-N 387.439 4.808 0 50 GJAA Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(C2CCCC2)n1 12281841 DJRRNAXPLBCPCW-UHFFFAOYSA-N 380.517 4.977 0 50 GJAA CN(Cc1nccs1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12715242 UHZKNMAWGCSBKP-UHFFFAOYSA-N 397.887 4.801 0 50 GJAA O=C(CCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20521986 XEKOXJKJFABGEM-UHFFFAOYSA-N 384.523 4.553 0 50 GJAA COc1ccc(F)cc1-c1c(-c2ccccc2)ncn1Cc1c(C)n[nH]c1C 67855250 GBQHIXRVPIDSEP-UHFFFAOYSA-N 376.435 4.753 0 50 GJAA C[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2ccc3ncccc3c2)on1 67894129 PJTBOYQNMAAVJY-INIZCTEOSA-N 387.439 4.635 0 50 GJAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc([C@H]5CCCO5)s4)CC3)nc12 91831075 KOYDDWIETROIFT-QGZVFWFLSA-N 395.528 4.804 0 50 GJAA COc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)CC2)c1 170600419 NCXFFDXCCDRPPC-UHFFFAOYSA-N 380.444 4.524 0 50 GJAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N(CCC(F)(F)F)CC1CC1 188269030 VTNQELKXMFYSNR-UHFFFAOYSA-N 377.366 4.628 0 50 GJAA C[C@@]12C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 239439300 ZSKAQNWUVBHSQO-IFXKSHNJSA-N 395.458 5.334 0 50 GJAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cccc(O)c1)CC(=O)O2 253405729 IKRXILKJBRMUDZ-IBGZPJMESA-N 398.414 4.915 0 50 GJAA biogenic CC[C@@H](OC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1ccc(F)cn1 1459898416 KASQZHHUONUJKW-GOSISDBHSA-N 387.842 4.985 0 50 GJAA COC(=O)c1sc(NC(=O)c2cc(Cl)nc(-c3ccccc3)c2)cc1C 1875380208 INSDDQKERSFYBE-UHFFFAOYSA-N 386.860 4.811 0 50 GJAA COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3ccccc32)cc1 624264 VGIYXZDGHANQSB-UHFFFAOYSA-N 380.265 4.654 0 50 GJAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 996190 NJRPCHGRBWBMNG-NSHDSACASA-N 376.547 4.702 0 50 GJAA aggregator COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c1 1052599 IJMNYRGKHQLDGF-UHFFFAOYSA-N 385.419 4.854 0 50 GJAA COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CCCCC1 1131349 YTRZSCKQJRQHEX-UHFFFAOYSA-N 389.293 4.700 0 50 GJAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 1177813 UGDHSECGBGLVBQ-UHFFFAOYSA-N 397.434 4.798 0 50 GJAA CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1Cl 3441647 AYYARCHZHMMKKM-UHFFFAOYSA-N 388.876 4.996 0 50 GJAA Cc1c([C@H](C)NC(=O)C2(c3ccccc3)CCCCC2)cnn1-c1ccccn1 12434612 MOYGXGLYAUXSBG-SFHVURJKSA-N 388.515 4.655 0 50 GJAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCC[C@@H](c2ccccc2)C1 12709133 CBQVFGSPKRFXGE-MRXNPFEDSA-N 398.409 4.552 0 50 GJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1OC 13331434 LEDPQUUTDIVWPB-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cnc(N(C)C)s2)cc1 20534685 JBGDFRKYWBJKSC-LJQANCHMSA-N 395.576 4.507 0 50 GJAA O=C(c1ccccc1O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 71762382 NEXRTVPTYOAXRP-UHFFFAOYSA-N 395.462 4.648 0 50 GJAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@@H]1C[C@H]1c1ccccc1Cl 109338291 BGZYSPYLXWJKSC-KHYOSLBOSA-N 381.863 4.810 0 50 GJAA Cc1nc(S[C@H](C(N)=O)c2ccccc2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 241383167 MSZQWYFHIPGFAE-HNULKUCHSA-N 383.561 4.816 0 50 GJAA O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1 253408286 KOSIEDCADVRVOJ-SFHVURJKSA-N 384.387 4.607 0 50 GJAA biogenic C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1cc(=O)oc2cc(O)ccc12 1473453208 CNKIQGVHRJXDSF-CYBMUJFWSA-N 391.389 4.580 0 50 GJAA Cc1ccc(N2CCC(N3CCC(O)(c4ccccc4)CC3)CC2)cc1Cl 1506407434 SBTGWUDNMJDTHR-UHFFFAOYSA-N 384.951 4.601 0 50 GJAA FC(F)(F)c1cccc2c(N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)ccnc12 1857711873 OSVNJIHEBCPSND-RKVPGOIHSA-N 375.438 4.564 0 50 GJAA O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCCCCC1 1875255194 CXMLVBKRGVGAME-UHFFFAOYSA-N 384.545 4.658 0 50 GJAA CCN(C)c1ccccc1NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1875271324 JBLKEYUVINAHPJ-NRFANRHFSA-N 379.504 4.528 0 50 GJAA C[C@@]1(CNc2nc(-c3ccccn3)nc3sccc23)OCCc2sccc21 1875339520 NJHRJWCNBOFVLN-FQEVSTJZSA-N 394.525 4.715 0 50 GJAA C[C@@H](NC(=O)Nc1cnn(C)c1Cc1ccccc1)c1ccc2ncsc2c1 2325825670 YVGCIMFIMCBDLW-CQSZACIVSA-N 391.500 4.503 0 50 GJAA Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1C 990823 IFLCULUTHIYFKY-UHFFFAOYSA-N 387.435 4.595 0 50 GJAA COC(=O)c1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12 1127833 YZYDFKLJOMOPFX-UHFFFAOYSA-N 383.403 4.908 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(CO)(Cc2ccccc2)CC1 11814443 JZCPGKYNSPHCTR-UHFFFAOYSA-N 392.421 4.555 0 50 GJAA Cc1c([C@@H](C)NC(=O)/C=C/c2ccccn2)cnn1-c1cccc2ccccc12 12197986 RWCUWTGTPDSLNE-TUQDCPSNSA-N 382.467 4.620 0 50 GJAA Ic1ccc(OCCCCn2cnc3ccccc32)cc1 13281907 LGKWPWXLGRVRKZ-UHFFFAOYSA-N 392.240 4.500 0 50 GJAA Cc1cc(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)on1 15078595 OXWVQMSUROTRLW-HXUWFJFHSA-N 384.863 4.523 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1cc2ccccc2o1 22462438 DBWABDRCOGZVAK-UHFFFAOYSA-N 382.379 4.797 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2cc(C(C)C)no2)CCO3)cc1 67739652 MHFCJDYYFSJPHX-UHFFFAOYSA-N 392.455 4.514 0 50 GJAA COc1ccc2[nH]c(C(=O)N(C)Cc3csc(-c4ccccc4)n3)cc2c1 72473684 GHQRPTZVDPVJPE-UHFFFAOYSA-N 377.469 4.572 0 50 GJAA COc1cccc([C@@H]2CCN(C(=O)c3oc4cc(C)ccc4c3C)C2)c1OC 91746909 BJZOMQUETLFEKB-MRXNPFEDSA-N 379.456 4.697 0 50 GJAA CN1[C@H]2CC[C@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(Cl)cc1)C2 100539084 MSHNSTAMQKEEQA-SFTDATJTSA-N 382.935 4.650 0 50 GJAA CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc(N3CCOC3=O)cc1)CC2 183435591 KIEAEXUFSDXDSF-UHFFFAOYSA-N 393.487 4.531 0 50 GJAA C[C@@H](NC(=O)NCc1cccc2c1OCCCO2)c1csc2ccccc12 769995341 LMMIVKGYTKSZRX-CQSZACIVSA-N 382.485 4.623 0 50 GJAA CC(=O)c1[nH]c(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)c1C 952978270 BLAZTEZXHFNONH-REPLKXPHSA-N 382.479 4.832 0 50 GJAA Cc1cc(C(=O)COC(=O)[C@@]2(C)CC[C@@H](C)C2)c(C)n1CCc1ccccc1 1875343464 JZILQYROKZEOHK-OSPHWJPCSA-N 381.516 4.900 0 50 GJAA Brc1cc(Br)c(Br)cc1Br 638920 QCKHVNQHBOGZER-UHFFFAOYSA-N 393.698 4.737 0 50 GJAA biogenic COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 830080 AZRFSNQXVAMFPI-UHFFFAOYSA-N 376.437 4.930 0 50 GJAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 990827 ZZYQZRJAEBORKT-GOSISDBHSA-N 385.213 4.823 0 50 GJAA CCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 2049794 BSNNNNIORZNJTB-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2131931 DXGFBVVUZAVGQC-LBPRGKRZSA-N 396.270 4.966 0 50 GJAA O=C(Nc1ccc(CCc2ccc(NC(=O)C3CCC3)cc2)cc1)C1CCC1 2758418 QVGRPJBHFNTQBB-UHFFFAOYSA-N 376.500 4.949 0 50 GJAA COc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(C)cc3)C(=O)O2)cc1 2818894 DTXLUKRUTOAKSW-PXLXIMEGSA-N 399.446 4.927 0 50 GJAA Cc1ccc(C2=NN3[C@@H](C(=O)c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 5541051 PENMLYDAGXHMAS-ZJSXRUAMSA-N 386.426 4.887 0 50 GJAA Cc1ccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1Cl 8619093 WRNMIDHDYYFAFR-NRFANRHFSA-N 390.870 4.984 0 50 GJAA COC(=O)c1cc(-c2ccc(C)cc2)nc2c(-c3ccc(Cl)cc3)cnn12 13645112 CVDFRFHUIAQDNK-UHFFFAOYSA-N 377.831 4.812 0 50 GJAA COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c(OC)c1 14972305 BRGWUIHDAMUCOY-UHFFFAOYSA-N 397.496 4.533 0 50 GJAA Cc1cc2nc(N3CCC(N[C@@H](C)Cc4cccs4)CC3)nc(C)c2cc1C 14996184 DWXSYTQJHJEWAV-KRWDZBQOSA-N 394.588 4.806 0 50 GJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1cccc(F)c1)C2 67921167 UFOCAHDMBGGFGP-UHFFFAOYSA-N 384.838 4.641 0 50 GJAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4cc[nH]c4c3)nc2)C1 67955799 MOHZCWODXCSAGM-HXUWFJFHSA-N 389.499 4.697 0 50 GJAA O=C(O)CCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21 95726704 OHXYIFOJAQVPRU-UHFFFAOYSA-N 388.423 4.664 0 50 GJAA in-vitro COc1ccccc1[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN12 100739027 HXFKBUGOAVGLTR-YKSBVNFPSA-N 386.451 4.946 0 50 GJAA Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 117461223 MOENRCXQHOHBFC-LJQANCHMSA-N 390.487 4.709 0 50 GJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cc(Cl)cc2c1OCC2 120511815 ZOWKOIAHQQCRDR-QGZVFWFLSA-N 388.899 4.764 0 50 GJAA C[C@@H](Oc1ccccc1NCc1noc(C2CCOCC2)n1)c1ccccc1 153919020 GCURPYVGXDXIJA-MRXNPFEDSA-N 379.460 4.716 0 50 GJAA COc1ccccc1C(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccsc1 241588542 PDXXGQHIHMGEEZ-IBGZPJMESA-N 392.480 4.757 0 50 GJAA Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1ccc4ncccc4c1)CC(=O)O2)CCC3 263585090 DYNVEVFTRSXYOO-SFHVURJKSA-N 397.430 4.579 0 50 GJAA biogenic Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCC[C@@H]1CCc1cccs1 952872176 IUCCKJCNSSCTFV-GOSISDBHSA-N 392.528 4.536 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2ncccc2F)n1 1875331663 RUKCRZQPVKMIAY-QMMMGPOBSA-N 398.619 4.827 0 50 GJAA Cc1cc2nc(SCC(=O)c3ccc(Br)cc3)[nH]c2cc1C 632960 HYNVVJDMTGMWSG-UHFFFAOYSA-N 375.291 4.917 0 50 GJAA CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 958154 JMKYFJYWCADQFQ-UHFFFAOYSA-N 394.515 4.890 0 50 GJAA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(C)c(Cl)c2)cc1 1019196 UDDWVBSEDUPELZ-HXUWFJFHSA-N 382.847 4.601 0 50 GJAA COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 1109976 SDMDLACHBYMSBH-UHFFFAOYSA-N 375.453 4.862 0 50 GJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(Br)c1 2982350 RTYARAVTQVOEML-UHFFFAOYSA-N 383.698 4.538 0 50 GJAA CCOC(=O)C(CCCCCOc1ccccc1C(C)(C)C)C(=O)OCC 4950419 SEUKRZPGUHBQRK-UHFFFAOYSA-N 378.509 4.666 0 50 GJAA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(O)=Nc2nc3ccccc3n21 9089415 SIXCGHJLAIQTMV-CQSZACIVSA-N 375.215 4.515 0 50 GJAA CC[C@H](COC)NCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 12585155 UFLHFARUTJXMFG-QGZVFWFLSA-N 399.922 4.716 0 50 GJAA CC(=O)c1sc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)nc1C 16648910 ZZKMMNQXWDWUMH-UHFFFAOYSA-N 385.514 4.550 0 50 GJAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 36293896 AYWSYJTWHIPSFL-UHFFFAOYSA-N 387.844 4.506 0 50 GJAA Cc1cc(C)c2[nH]c(C(=O)N3CCC(Oc4ccccc4F)CC3)c(C)c2c1 91746095 WJUAKYAYYWFYRS-UHFFFAOYSA-N 380.463 4.916 0 50 GJAA O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 169754605 HWHSVDKJASESLQ-INIZCTEOSA-N 389.789 4.646 0 50 GJAA Cc1ccc2c(c1)NC(=O)CN(C(=O)c1ccccc1Cl)[C@H]2c1ccccc1 170618441 LTYWZZZYBJOCCU-QFIPXVFZSA-N 390.870 4.832 0 50 GJAA O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc(Cl)cc1 713760 DHJBTRPQNIIAKU-LJQANCHMSA-N 389.929 4.930 0 50 GJAA Cc1ccc(NC(=S)NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 1133799 SCRUHEWNSQQOJS-UHFFFAOYSA-N 385.876 4.739 0 50 GJAA O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1cccc(F)c1 1193694 ZVRWDHHIVXQUAR-ATVHPVEESA-N 379.412 4.811 0 50 GJAA Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl 1425735 POBBNEXXMYBPIC-UHFFFAOYSA-N 380.300 4.732 0 50 GJAA CCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 2101792 QWEMTQXOWYCRFN-CQSZACIVSA-N 375.852 4.621 0 50 GJAA O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4738039 QQFDCBSRNFLGNQ-NSHDSACASA-N 386.662 4.919 0 50 GJAA CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl 6656033 KAJBMEXZZFJBGM-GFCCVEGCSA-N 381.881 4.601 0 50 GJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1 12590476 NSOLNPZTHBMFJK-FQEVSTJZSA-N 394.515 4.585 0 50 GJAA CC1(COc2cccc(CN(C(=O)CC3CCCC3)C3CCCC3)c2)COC1 14995619 LJCSCEIVGVAOBO-UHFFFAOYSA-N 385.548 4.953 0 50 GJAA O=c1cc(/C=C/c2cc(Cl)cc(Br)c2O)[nH]c2ccccc12 15016843 PXPRDFVLDFTOEM-AATRIKPKSA-N 376.637 4.820 0 50 GJAA COc1ccccc1[C@@H]1CN(Cc2cccc3c2OCO3)Cc2ccccc2O1 20351681 ZNONTAILQVKEBK-QHCPKHFHSA-N 389.451 4.560 0 50 GJAA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1[nH]cnc1C)CC2 22023253 YSNYSFYRSFKYIG-JOCHJYFZSA-N 397.906 4.536 0 50 GJAA COc1cc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc(OC)c1 23283131 BBASAOBFRUBMIN-UHFFFAOYSA-N 379.456 4.904 0 50 GJAA O=C(N[C@H]1c2ccccc2C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 32099055 SNHQBYUMRKLGIF-GGAORHGYSA-N 399.446 4.523 0 50 GJAA in-vitro CCOC(=O)C1CCC(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 36619726 MJXNAPVQEJHTCE-LADRWXRNSA-N 392.927 4.556 0 50 GJAA CCCO[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2OC)C1 96151621 GRYRKONDDNZWGB-QGZVFWFLSA-N 384.476 4.910 0 50 GJAA CNC(=O)c1cc(Cl)ccc1NCc1nc(C)c(-c2ccc(Cl)cc2)o1 129808001 LHTCKYMNPUHZEK-UHFFFAOYSA-N 390.270 4.929 0 50 GJAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc2cc(C(F)(F)F)ccc2s1 170613354 PNUQRKVMSHZAKR-CJNGLKHVSA-N 396.478 4.914 0 50 GJAA COc1ccc2ccccc2c1-c1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)on1 245557610 VDOOVNVPYFXCIP-MHECFPHRSA-N 392.499 4.630 0 50 GJAA CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(-c2cccc(F)c2)cc1 823712730 LTAXHTWKUVVADW-UHFFFAOYSA-N 376.475 4.827 0 50 GJAA O=C(Nc1ccc2nc(C(F)F)oc2c1)c1c(Cl)cnn1C1CCCC1 1875312641 HOUUGCRYKIGXQY-UHFFFAOYSA-N 380.782 4.983 0 50 GJAA CC(C)c1cccc(C(C)C)c1NC(=S)N1CCN(C)c2ncccc2C1 2325852471 HHSUACIMSZXUDE-UHFFFAOYSA-N 382.577 4.977 0 50 GJAA COc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 640657 AQYJXZZUKZJZDR-UHFFFAOYSA-N 376.412 4.579 0 50 GJAA O=C(NC(C(F)(F)F)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 755201 RDQBGSQUAWGTMY-UHFFFAOYSA-N 390.327 4.892 0 50 GJAA biogenic CCCCn1c(CCC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2393104 MIYFUTOPWBNFQQ-UHFFFAOYSA-N 385.533 4.610 0 50 GJAA CC(C)CC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2666988 JKNHLUJQYJZEQX-GFCCVEGCSA-N 391.648 4.976 0 50 GJAA Cc1c(Cl)ccc2c(C(=O)NCc3ccco3)cc(-c3ccccn3)nc12 6921209 GFLNYVFCOSUBNC-UHFFFAOYSA-N 377.831 4.782 0 50 GJAA Cc1cccc(C(C)C)c1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 11905621 QZFDLZAMEGFOKR-UHFFFAOYSA-N 393.512 4.600 0 50 GJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2ccsc2)cc1 12029025 OAXKYOZGEPOZTG-IBGZPJMESA-N 379.529 4.615 0 50 GJAA O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1cccnc1 12080281 KLAXBJDABMKEAI-INIZCTEOSA-N 398.384 4.501 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2ccccn2)C1 12300520 VTGKECSOVZGDFJ-FQEVSTJZSA-N 389.474 4.738 0 50 GJAA COc1ccc(OC)c(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)c1 15008611 MQZKQGRJMPSFRW-UHFFFAOYSA-N 395.499 4.688 0 50 GJAA CCc1cccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)c1 20638663 HAXOGLVVPVGWLM-QPJJXVBHSA-N 395.396 4.943 0 50 GJAA Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2[nH]c3ccc(F)cc3c2C)o1 67785787 PUVRTOXQNROUCV-UHFFFAOYSA-N 387.418 4.886 0 50 GJAA Cc1noc(C)c1CN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67851323 HHQIXFOXQGSYMB-UHFFFAOYSA-N 384.483 4.907 0 50 GJAA C[C@H](c1ccco1)N(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1 225552419 KWLRBMDTOSCKTE-LLVKDONJSA-N 391.349 4.714 0 50 GJAA COc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4ccccc4[C@H]3C2)cc1 239274646 AMPROBWNLJZHSM-GGAORHGYSA-N 390.870 5.591 0 50 GJAA CC(=O)O[C@H](C(=O)N1c2ccccc2[C@@H]2Cc3ccccc3[C@H]21)c1ccccc1 252507403 WKJHTOIEQGXZBI-QTJGBDASSA-N 383.447 4.719 0 50 GJAA FC(F)Oc1cc(OC(F)(F)F)cc(Br)c1Br 263624428 QJEWGPFUDXVCRR-UHFFFAOYSA-N 385.908 4.712 0 50 GJAA CCCCN(Cc1ccccn1)C(=O)NCc1ccc(C(F)(F)F)cc1F 426535517 NSJVTXZEWXKKOG-UHFFFAOYSA-N 383.389 4.751 0 50 GJAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1 498492160 UDNNWANHEJPDDR-KRWDZBQOSA-N 382.529 4.659 0 50 GJAA CCOc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 724371 AJZCFRJDCDPSOI-UHFFFAOYSA-N 390.508 4.730 0 50 GJAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 935586 AQIMMNZMZFNCNW-INIZCTEOSA-N 375.424 4.531 0 50 GJAA O=c1c2c(-c3ccccc3)csc2ncn1Cc1cccc(Br)c1 957751 HPSWXTUKIIMJRZ-UHFFFAOYSA-N 397.297 4.936 0 50 GJAA O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1 2179477 URRNBOLLEGCQPS-UHFFFAOYSA-N 390.357 4.869 0 50 GJAA CCOc1ccc(Nc2nc(Cl)nc(Nc3ccc(OCC)cc3)n2)cc1 2283550 USQCNPQNXWCSOB-UHFFFAOYSA-N 385.855 4.810 0 50 GJAA O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 3063413 UYXGHMPRWWMUID-XMMPIXPASA-N 394.474 4.820 0 50 GJAA in-vitro COc1cccc(CNCc2cccnc2)c1OCc1ccc(F)cc1Cl 4999753 WMMZCVQAERYWQM-UHFFFAOYSA-N 386.854 4.752 0 50 GJAA O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccc(F)cc1 5634600 MWQMOKTZGBVHNW-UHFFFAOYSA-N 397.262 4.648 0 50 GJAA Sc1nnc([C@H](Sc2ccccc2)c2ccccc2)n1C[C@@H]1CCCO1 6927710 OEISRHYVGJRIGR-FUHWJXTLSA-N 383.542 4.628 0 50 GJAA Cc1c[nH]c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)n1 12246148 FEFDJFSUNDZWBG-OAHLLOKOSA-N 389.425 4.507 0 50 GJAA CN(Cc1cc(C2CC2)[nH]n1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12314205 NXBSZFVIWGGJMS-UHFFFAOYSA-N 383.499 4.976 0 50 GJAA Cc1ccccc1-c1nc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)c(C)o1 14973216 QWEWXSFBBZPKFA-INIZCTEOSA-N 378.472 4.923 0 50 GJAA COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2cccnc2)c1 55211338 DXAGOWNSRCYFEW-UHFFFAOYSA-N 384.483 4.575 0 50 GJAA Cc1cc2oc(C(=O)Nc3ccc(SC(F)F)cc3)cc(=O)c2cc1C 1775977800 XAXWUQKBXSGDPE-UHFFFAOYSA-N 375.396 4.977 0 50 GJAA COc1ccccc1Oc1ccc(CNc2cn(C)nc2-c2ccccn2)cc1 1875319522 GQZFSYGJZYAIBC-UHFFFAOYSA-N 386.455 4.895 0 50 GJAA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc3ccccc23)cc1 1185156 KXPFYCDKHRNKFA-HSZRJFAPSA-N 384.435 4.792 0 50 GJAA CCOc1ccccc1NC(=O)CSCc1cccc(Br)c1 1290546 ODWALVKDIBMBKI-UHFFFAOYSA-N 380.307 4.720 0 50 GJAA O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccc(Cl)cc2)n1 2787505 WLESLZQIQUBIQM-UHFFFAOYSA-N 380.206 4.618 0 50 GJAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C)c(C)c1 2794871 QFWUGQONTSAHDT-UHFFFAOYSA-N 395.480 4.836 0 50 GJAA O=Cc1cn(-c2cccc(Br)c2)nc1C12CC3CC(CC(C3)C1)C2 4240014 VXCIEJRDQFFHPB-UHFFFAOYSA-N 385.305 4.915 0 50 GJAA CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(NC(C)=O)cc1 4342281 WEWSDMDACRHQHW-UHFFFAOYSA-N 377.444 4.730 0 50 GJAA O=C(CCC1CCN(Cc2cc3ccccc3s2)CC1)NCc1cccnc1 11665098 MJPRDAJNAOSKRW-UHFFFAOYSA-N 393.556 4.605 0 50 GJAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]c3ccccc13)CCO2 12100365 QYNPBKSUNWBJRW-RUZDIDTESA-N 398.506 4.839 0 50 GJAA Cc1c[nH]c(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)n1 12208548 PYYVHSRRTGZFRS-UHFFFAOYSA-N 377.536 4.798 0 50 GJAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)CCC1(C)CC1 12577124 DBTFWWROVKLKJD-UHFFFAOYSA-N 376.972 4.633 0 50 GJAA CC[C@@H](c1nc(C)no1)n1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1 65384104 RJQSADOJZHJUIR-SFHVURJKSA-N 376.464 4.685 0 50 GJAA O=C(O)[C@H]1[C@@H]2c3ccc4ccccc4c3[C@H](c3ccc4ccccc4c32)[C@H]1C(=O)O 100991146 LBRBVSQTXLMADP-NVPYSNMXSA-N 394.426 4.985 0 50 GJAA CN(C)C(=O)c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1F 175539124 XCPWDAFBBQLRSF-UHFFFAOYSA-N 386.423 4.647 0 50 GJAA Cn1ncc(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1C(F)(F)F 455228064 UESFHLVILQAPDT-ZDUSSCGKSA-N 390.768 4.504 0 50 GJAA Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 634002 VYCJGBJBVBQXLR-JKSUJKDBSA-N 389.684 4.840 0 50 GJAA COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1 657327 REXZXKNFDYLUPU-UHFFFAOYSA-N 375.468 4.656 0 50 GJAA Cc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)n1 783647 LAIGEPWLVFPBRW-UHFFFAOYSA-N 376.485 4.968 0 50 GJAA COc1cccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c1 995593 LICZVJLUSZNYFY-UHFFFAOYSA-N 382.463 4.883 0 50 GJAA COc1ccc(OC)c(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c1 1068381 NCCWDLZIZMVTDO-UHFFFAOYSA-N 376.456 4.591 0 50 GJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1C 1177457 IXWGNKNZVQPJHH-UHFFFAOYSA-N 396.292 4.977 0 50 GJAA CCc1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@@H](C)COC 1834841 USQDUVGJRDGLIA-INIZCTEOSA-N 397.544 4.594 0 50 GJAA COc1ccccc1OCCOCCOc1cccc(Oc2ccccc2)c1 2985071 IEJPMIYQFJHMCX-UHFFFAOYSA-N 380.440 4.962 0 50 GJAA Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)cc(C)c1Br 3001922 CJSRQBBLDDHQSY-UHFFFAOYSA-N 388.305 4.962 0 50 GJAA CC(C)(C)NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 3615990 CPFUEANGYZBIQQ-HNNXBMFYSA-N 376.294 4.591 0 50 GJAA CCOC(=O)C1(CCOC)CCN(CC(c2ccccc2)c2ccccc2)CC1 12387135 QEWLNPBSGHCBHQ-UHFFFAOYSA-N 395.543 4.500 0 50 GJAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)cc1C 14980808 ISHMBWYPFRAMKM-NRFANRHFSA-N 388.515 4.580 0 50 GJAA CC(C)(C)OC(=O)N1CCC2(CCc3cc(Br)ccc3O2)CC1 203785665 NZSBMAJIONQUET-UHFFFAOYSA-N 382.298 4.544 0 50 GJAA in-vitro COc1cccc(-c2nn(-c3ccccc3)cc2CNCCc2cccs2)c1 227156542 BJUCJMBFPSJOQI-UHFFFAOYSA-N 389.524 4.942 0 50 GJAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)ccc21 230069548 VFNBTGWCOBECDM-MONBJTKQSA-N 389.495 4.793 0 50 GJAA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239412546 SVBDUOMXSTZOEP-HWLDZIHSSA-N 399.446 4.768 0 50 GJAA Cc1nc(-c2ccccc2NC(=O)N2CCCC[C@@H]2c2ccnn2C)cs1 370715803 IIUMEBIRXKSMLQ-LJQANCHMSA-N 381.505 4.611 0 50 GJAA CCCn1c(C)nc2cc(NC(=O)[C@H]3CCCN(C4CCCCC4)C3)ccc21 952978247 XUEPPFHLZKEPHD-SFHVURJKSA-N 382.552 4.738 0 50 GJAA CC[C@@H](C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)C1CCC(C)CC1 1438856387 MPDYWYCTXUQRJP-ZOGYUUGASA-N 394.563 4.690 0 50 GJAA Cc1ccc([C@@H]2C[C@@H](OC(=O)c3ccc(-n4ccnc4)cc3C)CCO2)cc1 2325742617 MKBBJKIPBRTBAD-UNMCSNQZSA-N 376.456 4.566 0 50 GJAA O=C1C[C@@H](c2cc3c(cc2Br)OCO3)c2ccc3ccccc3c2N1 799513 BNNFCYGTCYYAJC-CQSZACIVSA-N 396.240 4.805 0 50 GJAA COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1 803540 XRDLMTCPKYZNEH-UHFFFAOYSA-N 380.469 4.878 0 50 GJAA COc1ccc(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 808669 MHKZIXJIHJDFIX-INIZCTEOSA-N 387.694 4.542 0 50 GJAA Brc1sc(Br)c(Br)c1Br 967316 AVPWUAFYDNQGNZ-UHFFFAOYSA-N 399.727 4.798 0 50 GJAA biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1Cl 1123577 HWBWXGFROAJGDM-UHFFFAOYSA-N 385.632 4.814 0 50 GJAA COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Cl)c3)c2)cc1 1129846 OLHTYVYJVKRQCT-UHFFFAOYSA-N 395.842 4.958 0 50 GJAA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 1201440 AQXMDLPDELXGLN-IBGZPJMESA-N 399.947 4.895 0 50 GJAA COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 2384545 ZCPCQUJSVHQIRF-LBPRGKRZSA-N 388.533 4.751 0 50 GJAA O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 2813180 KCISBEBLENDEAT-UHFFFAOYSA-N 389.270 4.884 0 50 GJAA Cc1cc(OCC(=O)Nc2c(C)cccc2C)c2c3c(c(=O)oc2c1)CCCC3 2840942 JGUAIFYOAFPENY-UHFFFAOYSA-N 391.467 4.615 0 50 GJAA CCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2906545 RNBBMVPKMPWMHJ-GOSISDBHSA-N 380.473 4.552 0 50 GJAA COc1ccc(CCNC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 4541855 OEQXOFVDCCJSFI-UHFFFAOYSA-N 383.875 4.900 0 50 GJAA O=C(NCc1ccco1)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 4974200 HSUBGOPYDLQNHT-KQWNVCNZSA-N 396.446 4.520 0 50 GJAA CCCOc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc1 5051158 UBDGQDBSPVONNE-UHFFFAOYSA-N 394.471 4.680 0 50 GJAA Cc1cccc(Cn2ccc(-c3cccc(-c4nccc(C(F)(F)F)n4)c3)n2)n1 20706242 CDLDMFOYINIGAN-UHFFFAOYSA-N 395.388 4.778 0 50 GJAA O=C(c1ccc(CO)cc1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71639550 KMOSUCPRKGRHLT-KRWDZBQOSA-N 391.433 4.683 0 50 GJAA CC(=O)C(Sc1ncnc2scc(-c3ccc(Cl)cc3)c12)C(C)=O 100271277 KHDRDAQZNWCXTI-UHFFFAOYSA-N 376.890 4.650 0 50 GJAA O=C1Nc2ccccc2S[C@H]1CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 129216882 NPEYPASVYAONLM-CTNGQTDRSA-N 392.524 4.558 0 50 GJAA C[C@@H](CC(=O)N[C@@H](CCCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 152947229 MFPFPOPEOVVUEV-KXBFYZLASA-N 379.422 4.829 0 50 GJAA Cc1cc(C)cc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1 169759623 VRGHYPZHQIHNFE-FQEVSTJZSA-N 381.863 4.677 0 50 GJAA Cc1cc(NC(=O)N2CCC[C@]2(CO)CC(C)C)ccc1Oc1cccnc1 252503080 UYECCNSIFBYJQI-JOCHJYFZSA-N 383.492 4.587 0 50 GJAA CCOC(=O)[C@H]1C[C@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 263625203 XRRJGDIDYWFBOR-HOTGVXAUSA-N 399.903 4.943 0 50 GJAA O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 887986 WGVDZIQTPGVFGG-UHFFFAOYSA-N 381.815 4.870 0 50 GJAA CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 970033 KCBQWAVHXWGPIZ-UHFFFAOYSA-N 387.483 4.561 0 50 GJAA COc1ccccc1Nc1nc(-c2cc3cccc(OC)c3oc2=O)cs1 1067893 QDRDQVFWKTXHLA-UHFFFAOYSA-N 380.425 4.677 0 50 GJAA COc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(OC)c1 1114130 JYGJTBGNKBPCDZ-UHFFFAOYSA-N 391.452 4.628 0 50 GJAA COc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1 1122925 LYXAHIKVUYNQGA-UHFFFAOYSA-N 389.451 4.561 0 50 GJAA COc1ccccc1/C=C/C(=O)NCCSCc1c(F)cccc1Cl 2814956 ZCGZKAGYKHQAJO-MDZDMXLPSA-N 379.884 4.551 0 50 GJAA O=C(N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 3142264 WGQHDCNWYLCHCD-INIZCTEOSA-N 383.662 4.971 0 50 GJAA O=C1NC2=Nc3ccccc3SC(c3ccccc3)=C2[C@H](c2ccc(O)cc2)N1 6457291 ATFQGHUFGOMZSN-FQEVSTJZSA-N 399.475 4.993 0 50 GJAA COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cccc(F)c3)C2)c(C)c1 14976435 SOVTUTUMPLSUON-GOSISDBHSA-N 384.495 4.774 0 50 GJAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 19683150 XQJWTJLJEYIUDZ-UHFFFAOYSA-N 396.874 4.685 0 50 GJAA aggregator,in-vitro Clc1ccc(N2CCN(C/C(Br)=C/c3ccccc3)CC2)cc1 23281175 MLXKPCTZWYCRMI-VKAVYKQESA-N 391.740 4.898 0 50 GJAA O=C(O)c1cc(-c2ccc(Br)cc2)nn1-c1cccc(Cl)c1 25763434 DHSOCQATQZEFAM-UHFFFAOYSA-N 377.625 4.653 0 50 GJAA Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759782 JWVSGUMAEHHUEQ-IBGZPJMESA-N 385.826 4.508 0 50 GJAA O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1C[C@H]1c1c(F)cccc1F 180226454 LUPWHESILYWAMJ-JRIXGKFYSA-N 395.808 4.507 0 50 GJAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 239309202 HHGPQTGILUJUHV-VNHYZAJKSA-N 393.603 4.696 0 50 GJAA Brc1cc(OCc2ccccc2)ccc1I 675050727 QNYMIPHQYFYWSX-UHFFFAOYSA-N 389.030 4.633 0 50 GJAA O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc21 746797554 CCNSKGXJSQYAKF-ZJSXRUAMSA-N 397.474 4.771 0 50 GJAA Cc1ccc([C@H](C)NC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)cc1C 1875335622 ZPQVTWSVUSYIIZ-INIZCTEOSA-N 383.561 4.899 0 50 GJAA CC(C)c1cc(O)cc(CNC[C@@](O)(c2ccccc2Cl)C(F)(F)F)c1 1875346223 XAAFBDANDUTSJY-GOSISDBHSA-N 387.829 4.709 0 50 GJAA O=C(c1ccc(N2CCCC2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822576 CHEYFWCNFTWWOO-UHFFFAOYSA-N 384.907 4.624 0 50 GJAA COc1cc(OC)c(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 1155972 FLDNLGBAPXKDMX-UHFFFAOYSA-N 377.868 4.672 0 50 GJAA CCOCCOc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 4820671 IOBGPMVGLTXCDH-UHFFFAOYSA-N 375.468 4.621 0 50 GJAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CCC4)C3)c2)c1 11838268 WCWJMZITBWQCNT-NRFANRHFSA-N 376.500 4.639 0 50 GJAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 12094175 FAERYDBUYMBFSZ-QGZVFWFLSA-N 396.512 4.738 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1 12459720 GJYDKQRFUWKACK-KRWDZBQOSA-N 379.481 4.890 0 50 GJAA Cc1ccc([C@@H](C)CCN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)o1 12592551 ITUXCTLQZAAYLQ-KRWDZBQOSA-N 398.551 4.744 0 50 GJAA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 14879770 PCEHSEQDSOBZAL-LYSIVYOWSA-N 391.490 4.509 0 50 GJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)cc1 14976493 LGMDLPICCSQDAC-QHCPKHFHSA-N 382.573 5.000 0 50 GJAA Cc1nc(-c2ccc(N3CCC(N(C)Cc4cccnc4)CC3)cc2)cs1 55088568 DDUHEHUHNPHLGL-UHFFFAOYSA-N 378.545 4.614 0 50 GJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71762668 GWDNBDMZPLGUDS-SFHVURJKSA-N 377.463 4.701 0 50 GJAA Oc1cccc(CN2CCCC23CCN(c2nc4ccccc4s2)CC3)c1 72435453 SMMSECCNAXDYJB-UHFFFAOYSA-N 379.529 4.637 0 50 GJAA ClC1=NC2=c3c(Cl)c(Cl)c(Cl)c(Cl)c3=C(Cl)C2=C1Cl 101021324 AWEPDURCPFESFQ-UHFFFAOYSA-N 394.299 4.913 0 50 GJAA CC(=O)N1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)c2ccccc21 174870931 SCTVWJSCJCUPRN-UHFFFAOYSA-N 399.494 4.702 0 50 GJAA CCc1c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cnn1-c1cccc(Cl)c1 186418576 LJMTUOREYWELAH-CYBMUJFWSA-N 383.883 4.508 0 50 GJAA CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@@](C)(C3SCCS3)C[C@H]12 252427792 GEFRKHXTFACOQE-CLIDLRMUSA-N 398.634 4.718 0 50 GJAA Cc1c(C(=O)Nc2cccc3c2OCCO3)oc2ccc(Br)cc12 334162305 LWCSMGGYQBQRTO-UHFFFAOYSA-N 388.217 4.527 0 50 GJAA O[C@H]1CC[C@H](N[C@@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 467734439 RMXVIECRQDGUPD-BJLQDIEVSA-N 392.312 4.765 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1C[C@]1(C)C(C)C)CC2 476085199 RVNCYIGEFMCCAL-AMHTUMDSSA-N 399.556 4.922 0 50 GJAA CCNC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(C)c1 489396206 VCAGGTUYLJLDPZ-AWEZNQCLSA-N 389.499 4.603 0 50 GJAA O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCC([C@H](O)c2ccccc2)CC1 846233892 BKEAATOSBKLILH-RBUKOAKNSA-N 394.298 4.565 0 50 GJAA Cc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)sc1-c1ccccc1 952967657 LPHHTGFFDZJUGX-HXUWFJFHSA-N 392.524 4.940 0 50 GJAA C[C@@H](C(=O)NCc1ccc(OC(F)F)cc1F)c1ccccc1C(F)(F)F 1462207360 HARJXBWCVPBLKZ-SNVBAGLBSA-N 391.311 4.866 0 50 GJAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1ccccc1SCc1ccc(F)cc1 1506400510 NNBFEAQUAGWAOZ-GOSISDBHSA-N 386.536 4.532 0 50 GJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@H]1C[C@@H]1c1cccs1 1857798600 QDEZCWUUZQNJFB-STQMWFEESA-N 375.906 4.586 0 50 GJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(C)C)cc2)cc1Br 1875322727 DIZKMNZOOQPRRM-UHFFFAOYSA-N 383.307 4.957 0 50 GJAA COc1ccc(Cl)cc1CNc1cc(Nc2ccc(F)cc2OC)ncn1 1875333998 UIBQQODAZNYJHR-UHFFFAOYSA-N 388.830 4.642 0 50 GJAA C[C@@H](NC(=O)c1cc2sc(C(=O)O)cc2[nH]1)c1ccc(Cl)c(Cl)c1 2325877646 WHVAIKXITLFZJO-SSDOTTSWSA-N 383.256 4.725 0 50 GJAA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 771827 ZYSWBDASMRTCDG-LQDNNDEMSA-N 399.877 4.911 0 50 GJAA biogenic O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NCc1ccccc1 955537 CIDNXOLDOSRHHC-UHFFFAOYSA-N 391.521 4.767 0 50 GJAA CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 1081025 CHNDADPZYPZVAY-AWEZNQCLSA-N 388.533 4.980 0 50 GJAA O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 1094361 BFPCROGKTSMWJO-UHFFFAOYSA-N 382.847 4.689 0 50 GJAA CCOc1ccc(OCCOCCOc2ccc(C)cc2Br)cc1 2984894 IQSHQRZIAHOBCP-UHFFFAOYSA-N 395.293 4.631 0 50 GJAA Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc4ccccc34)nn12 4487038 NTVPQUGWZIFHRT-UHFFFAOYSA-N 385.452 4.567 0 50 GJAA COc1cc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)ccc1C 11841292 PDDNFRHINCIARC-DEOSSOPVSA-N 384.564 4.512 0 50 GJAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 11944807 CMBYPGCUKPRDTF-QHCPKHFHSA-N 391.555 4.792 0 50 GJAA COc1ccc(-c2nc3cc(C)ccc3cc2CNCc2cnn(C)c2C)cc1 12152967 KHLHKLHBBAHBLF-UHFFFAOYSA-N 386.499 4.551 0 50 GJAA COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccoc3)C2)cc1Cl 15073875 KBSJXBOIGPFBLY-HNNXBMFYSA-N 376.884 4.573 0 50 GJAA CCOc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1O 15074384 XKVRYXGQUJQGQB-KRWDZBQOSA-N 385.529 4.608 0 50 GJAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19537729 KKLUWNBNMGQBKI-JLHYYAGUSA-N 396.534 4.676 0 50 GJAA CCCn1nccc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71752414 ZKIFZTDTNBNQCR-MRXNPFEDSA-N 393.453 4.797 0 50 GJAA c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 91328699 XATVSLHMOONKQS-UHFFFAOYSA-N 380.495 4.619 0 50 GJAA CCn1nc(C)c(CCC(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)c1C 169773998 AWYJZONXDRKLQI-LJQANCHMSA-N 398.938 4.781 0 50 GJAA COc1ccccc1CC(=O)c1cn(C[C@H]2CCCCN2C)c2ccccc12 199841626 AJSBNWAHEDVQJT-LJQANCHMSA-N 376.500 4.560 0 50 GJAA in-vitro COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C)c2cn(C)c(C)n2)cc1OC 252482410 DETANKPSJQTBFQ-DYESRHJHSA-N 393.531 4.689 0 50 GJAA C[C@H](NC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875263344 QVNSDNWHXYQQRG-IMRHEYAYSA-N 393.531 4.535 0 50 GJAA CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345137 SWRDSHMPDIJHOC-SGTLLEGYSA-N 399.422 4.563 0 50 GJAA CC(C)(C)NC(=O)COc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 645855 UGJQXOAMJDFJQV-UHFFFAOYSA-N 395.286 4.539 0 50 GJAA O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)c3ccccc3C2=O)c1 991724 NIVCXFTUNNFSDN-UHFFFAOYSA-N 393.398 4.860 0 50 GJAA Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 1225924 UXVZGIQJMTUDIQ-VUUXHMSQSA-N 379.459 4.566 0 50 GJAA biogenic CCCOc1c(Cl)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC 2092954 VJUKIHRKDFHDFC-UVTDQMKNSA-N 391.876 4.934 0 50 GJAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 6664165 SNPQGWZXJYZHRB-UHFFFAOYSA-N 386.542 4.801 0 50 GJAA CCc1nn2c(N3CCN(c4ccccc4)CC3)cc(C)nc2c1-c1ccccc1 7572479 WAMQIQXUJSKJMV-UHFFFAOYSA-N 397.526 4.594 0 50 GJAA O=C(Nc1cccc2c1CCC2)c1ccc([C@H]2CCCN2C(=O)C2CC2)s1 19812575 WXOGTUNVVBZFMD-GOSISDBHSA-N 380.513 4.563 0 50 GJAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1CCN(C(C)(C)C)CC1 114014846 JUWXVJWXKSGTAZ-UHFFFAOYSA-N 383.540 4.515 0 50 GJAA O=C(Nc1ccccc1N1CCCC1)c1csc(-c2ncccc2Cl)n1 133344560 APUXVHVJSQWPMC-UHFFFAOYSA-N 384.892 4.711 0 50 GJAA CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C)ccc1Oc1ccccc1 151094678 ROUJIDLXDQFEDK-QGZVFWFLSA-N 391.475 4.598 0 50 GJAA O=C(Nc1cccnc1O)c1ccccc1-c1ncc(-c2ccccc2F)o1 170604503 DFSKIMWZFMNIEC-UHFFFAOYSA-N 375.359 4.501 0 50 GJAA CC(C)COc1ncccc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 170624972 MINZOADFWQSDCT-UHFFFAOYSA-N 395.478 4.757 0 50 GJAA C[C@@H]1CN(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)CCO1 170633502 NGJUHHPDQAJCGB-MRXNPFEDSA-N 384.907 4.626 0 50 GJAA O=C1[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 239025546 BTIQDACSUXCHFU-ZFKGFYPTSA-N 386.278 4.923 0 50 GJAA CCOc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2c1 239432719 WFCUQECTMRFGFI-GZBFAFLISA-N 378.563 4.728 0 50 GJAA C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 241926465 UGJMFPVCGIOHIQ-PUZWTLIVSA-N 398.506 5.262 0 50 GJAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 257358149 RXOKKASEHMRJLZ-MIYXWFHDSA-N 386.532 4.980 0 50 GJAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)Oc1ccc2ccnc(O)c2c1 328596604 HGZSYRDRZORKDF-UHFFFAOYSA-N 380.400 4.731 0 50 GJAA Cc1ccc(N2CCC(NC[C@@H](c3ccccc3F)N3CCCC3)CC2)cc1 1506407021 TTWOEJIYNMRRKP-DEOSSOPVSA-N 381.539 4.530 0 50 GJAA COC(=O)c1ccc2nc(N3C[C@H](C)CC[C@@H]3c3ccccc3OC)oc2c1 1875306839 DGXPJZXEBLGGBS-RDTXWAMCSA-N 380.444 4.601 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 759409 KYGMHZZALQJNHW-UHFFFAOYSA-N 388.486 4.697 0 50 GJAA O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 842077 JNLADQBGUSGWRI-HSZRJFAPSA-N 384.435 4.615 0 50 GJAA CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 1136970 KLSQZZKERWWKGI-UHFFFAOYSA-N 392.421 4.918 0 50 GJAA Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)O)c1 1193772 IZLKYBDEOMUUGC-UHFFFAOYSA-N 388.423 4.506 0 50 GJAA CCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OCC 2092332 ANRCHHSOIGDXDO-ATVHPVEESA-N 385.847 4.872 0 50 GJAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2510588 AGSTVRGPOSEJQQ-HSZRJFAPSA-N 399.446 4.620 0 50 GJAA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(F)cc1 2619020 GFIBOZBIAITSNZ-UHFFFAOYSA-N 379.416 4.641 0 50 GJAA CCOc1cccc(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)c1 3612674 AAXWBTCKRXEZND-JXMROGBWSA-N 397.525 4.995 0 50 GJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1cccc2ccc(C)nc12 6163752 DNAZNRGOBLOHFM-UHFFFAOYSA-N 385.485 4.751 0 50 GJAA Cc1cc(C)cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 7645071 BCBBHJFWHGFLDC-UHFFFAOYSA-N 380.513 4.698 0 50 GJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)cc1 12297287 LJSJYWOJIZLLKH-JOCHJYFZSA-N 388.515 4.712 0 50 GJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1OC 13331389 UNDYYAMHGVVETN-UHFFFAOYSA-N 394.475 4.518 0 50 GJAA O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccoc1 14993952 MPFJTGYTJGBYBQ-HNNXBMFYSA-N 387.357 4.699 0 50 GJAA Cc1cc(-n2cccn2)ccc1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C 15071613 BSEBRYMMYXDPMH-QGZVFWFLSA-N 389.478 4.665 0 50 GJAA Cc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1 67789381 FHTGZZDNGFKPST-UHFFFAOYSA-N 382.467 4.516 0 50 GJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 67805789 WMMBGWBGUGYVNF-LJQANCHMSA-N 384.483 4.886 0 50 GJAA Cc1c(C(=O)N2C[C@H]3CC[C@H]2C3)sc2ncnc(NCCC3=CCCCC3)c12 102430240 KTBNSXBSGXFQJF-IRXDYDNUSA-N 396.560 4.927 0 50 GJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([S@@](C)=O)c(F)c2)o1 170650610 KJLGXRCRAVAVHR-YHAMSUFESA-N 378.469 4.614 0 50 GJAA COc1cc(SC)c(OC)cc1CN1CCCC[C@@H]1c1nc(C(C)C)no1 215465867 XDYPUFHGIHLFEA-OAHLLOKOSA-N 391.537 4.659 0 50 GJAA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 252549681 RRMPBFKPCBHFOX-HNNXBMFYSA-N 381.307 4.527 0 50 GJAA c1ccc(-n2cc(CN(Cc3ccc([C@@H]4CCCCO4)o3)C3CC3)cn2)cc1 820408738 VCUVTLDJKKFLCI-QFIPXVFZSA-N 377.488 4.872 0 50 GJAA CCCSc1nsc(NC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n1 1310402420 OCSSWZQVXAHDDC-SECBINFHSA-N 390.456 4.942 0 50 GJAA Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1Oc1ccccc1 1857618705 ZAGKPEUOLMLUHP-UHFFFAOYSA-N 389.377 4.950 0 50 GJAA COc1cccc(-c2nc(CNc3cccc(CC(=O)OC(C)(C)C)c3)co2)c1 1875317005 LTLNLHBROLFAMG-UHFFFAOYSA-N 394.471 4.847 0 50 GJAA C/C=C/C[C@H](NC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)C(=O)O 2325876349 RXJAIRYTEJERNO-YATRRXNKSA-N 396.245 4.949 0 50 GJAA O=C(Cc1ccccc1)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 1074367 TYGKIUOCXNBHCU-UHFFFAOYSA-N 380.827 4.845 0 50 GJAA COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccc(Br)cc1 1095619 SYXBRUNVXVRUPY-LLVKDONJSA-N 380.307 4.671 0 50 GJAA CCOc1ccc(N2C(=O)c3cccc4cc(Br)cc(c34)C2=O)cc1 1138408 FCWSFABRXJJUPT-UHFFFAOYSA-N 396.240 4.802 0 50 GJAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl 1162256 RMNXQHWFNJPKFD-UHFFFAOYSA-N 377.655 4.913 0 50 GJAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)OC(C)(C)C)ccc12 1174886 MMBWCELDPVQCMH-UHFFFAOYSA-N 394.467 4.721 0 50 GJAA O=C(Nc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2532714 GEJKUWINBVYPRD-UHFFFAOYSA-N 399.800 4.839 0 50 GJAA Cc1ccccc1Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721418 HGJUFIGDVSMAEB-UHFFFAOYSA-N 387.458 4.505 0 50 GJAA O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 2998236 RZHYSFUQONCNDZ-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@](CO)(Cc4ccc(F)cc4)C3)oc2c1 12303331 BDKARPCKIPFGJB-DEOSSOPVSA-N 395.474 4.646 0 50 GJAA c1cncc(CN(Cc2nccs2)C[C@H]2CCCN(C3CCCCC3)C2)c1 12308580 GGPSYSCDWYGVPA-HXUWFJFHSA-N 384.593 4.585 0 50 GJAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C[C@@H]4CC=CCC4)CC3)c2)s1 12704944 STKZNTYBLJTDFG-QGZVFWFLSA-N 396.560 4.520 0 50 GJAA Cc1nn(C)cc1CN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 13595099 YMBIWIDPDSRBRJ-FQEVSTJZSA-N 391.490 4.630 0 50 GJAA CC1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2cccs2)CC1 15859982 ULFSWXOKKFVQMP-IBGZPJMESA-N 395.528 4.606 0 50 GJAA O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 35529464 JBZXLQHJZHITMW-ITEAAPOESA-N 391.467 4.653 0 50 GJAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 36620738 VXNXZTPVSLIZQZ-MRXNPFEDSA-N 378.831 4.865 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 67690442 ICBMFWZGPYHJCD-UHFFFAOYSA-N 377.415 4.542 0 50 GJAA O=C(c1ccc(NCc2ccoc2)nc1)N1CCC[C@H](c2ccccc2)CC1 67741580 YROICXMKVBFYPP-FQEVSTJZSA-N 375.472 4.697 0 50 GJAA COc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1Cl 170622890 VLDUEWRRDKUTRE-UHFFFAOYSA-N 397.740 4.670 0 50 GJAA Cc1[nH]c(=O)c(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1-c1ccccc1 170654046 BVAILFRNHWFTJO-HXUWFJFHSA-N 376.456 4.701 0 50 GJAA CC[C@H](C)n1ncc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1C1CC1 179438399 XCRAHTFFOXUXPD-AWEZNQCLSA-N 377.492 4.598 0 50 GJAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239433479 XTGLIVITYKYLTH-ZSAUSMIDSA-N 392.248 5.500 0 50 GJAA Cc1nccc(-c2cccc(NC(=O)N(C)Cc3csc(C(C)C)n3)c2)n1 299758557 KGUQIYMSMPASPD-UHFFFAOYSA-N 381.505 4.696 0 50 GJAA CCCCN(Cc1cccnc1)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 952991789 VRSWGQLMYPADGJ-JOCHJYFZSA-N 383.511 4.577 0 50 GJAA COC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CC[C@H](C)C2 652532 SFCOZRXXTBHQFI-JTQLQIEISA-N 395.427 4.513 0 50 GJAA OC1(c2ccc(Br)cc2)CCN(Cc2c(F)cccc2Cl)CC1 757531 LBFWEKOMHROMJG-UHFFFAOYSA-N 398.703 4.725 0 50 GJAA COc1ccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 1156982 AYMKYJAIZUAOFF-UHFFFAOYSA-N 385.634 4.812 0 50 GJAA CCCCC(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 1819259 DECKVCFQXOWWAO-UHFFFAOYSA-N 391.489 4.738 0 50 GJAA CCc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 2843742 KTBPQQYECIRJLK-ZWKOTPCHSA-N 383.293 4.749 0 50 GJAA CCCCC(=O)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 2853025 TUPIUAAVMRHZRG-UHFFFAOYSA-N 390.867 4.738 0 50 GJAA CCN(C(=O)C1CCC(C(=O)N(CC)c2ccccc2)CC1)c1ccccc1 2883349 KDDINSLAYIZECV-UHFFFAOYSA-N 378.516 4.899 0 50 GJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 4037171 WJXCQZORJATLNT-UHFFFAOYSA-N 381.453 4.853 0 50 GJAA O=C(Nc1c(Br)cc(Cl)cc1Br)c1ccco1 4795804 JQADFACCYBWZCO-UHFFFAOYSA-N 379.435 4.710 0 50 GJAA Cc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 8748582 ABXVQQNXQZUXIE-UHFFFAOYSA-N 398.919 4.790 0 50 GJAA OC[C@@]1(Cc2ccccc2F)CCCN(Cc2nc(-c3ccccc3)cs2)C1 11816171 NISKYCVREBFMBF-HSZRJFAPSA-N 396.531 4.766 0 50 GJAA COc1ccc(F)c(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 12708125 MWXJLMRMJDTSOW-NRFANRHFSA-N 379.479 4.804 0 50 GJAA CCCOc1ccc(C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 13320571 CIXRHDPACVPDLU-UHFFFAOYSA-N 394.559 4.731 0 50 GJAA CCCCNC(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccc(C)cc1 13961565 YZEDACOIFADJTE-QHCPKHFHSA-N 391.515 4.942 0 50 GJAA COc1cccc(OC)c1CN1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 42881897 MPMNBYAVIWRXLP-QGZVFWFLSA-N 395.478 4.613 0 50 GJAA CCCCN(Cc1cccnc1)C(=O)c1ccc(C)c(NC(=O)C2CCCC2)c1 55183217 LHBKETLYUGIRJU-UHFFFAOYSA-N 393.531 4.961 0 50 GJAA O=C(N[C@@H]1CCC=CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481808 BRHLMAPSYHOIMG-RBBKRZOGSA-N 391.467 4.725 0 50 GJAA O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)N=C2SCCCN12 169329794 XJBQRMOGMULGPP-PDGQHHTCSA-N 384.888 4.595 0 50 GJAA CC(C)c1nsc(N[C@@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)n1 170616200 IAOBXIAQFKWPEE-JTQLQIEISA-N 392.326 4.987 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H]1C[C@]1(C)C(C)C)CC2 476411841 QDMJPKBOOBDSKQ-JHMXWDHMSA-N 393.527 4.860 0 50 GJAA COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 1772491501 UMMXMHAQABXWQG-WAYWQWQTSA-N 386.662 4.733 0 50 GJAA C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCC45CCC(CC4)C5(C)C)cn1c23 1875356484 LZKKMNPUFDVWGU-OUCSSDNDSA-N 396.506 4.594 0 50 GJAA C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2nccc3ccccc23)cs1 2325731511 IPMNJYHMMMOHQF-AWEZNQCLSA-N 375.453 4.764 0 50 GJAA N[C@H](CCNC(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)Cc1ccccc1 2325866706 WZWAIUFKDGTMPV-CEMLEFRQSA-N 399.966 4.626 0 50 GJAA O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 987369 YWVWZIDNXBHUAZ-VIZOYTHASA-N 380.252 4.896 0 50 GJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 1059835 WAYRLZCNMBZARQ-UHFFFAOYSA-N 393.874 4.957 0 50 GJAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1Cl 1146075 OMYZSEWCIAOYNJ-BBITVKMKSA-N 399.877 4.732 0 50 GJAA O=C(Nc1ccccc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1156547 HZPWAVNIJHZFRE-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccc(Cl)c1 1163973 VIULPEQJOFDSPG-UHFFFAOYSA-N 393.826 4.595 0 50 GJAA Cc1cc(I)ccc1NC(=O)c1cccc(OC(C)C)c1 1185031 PPOTYCCEFOCIHG-UHFFFAOYSA-N 395.240 4.639 0 50 GJAA COc1cc2c(cc1NC(=O)c1c(OC)cccc1OC)oc1ccccc12 3642256 LYWUIOYFTOLRQE-UHFFFAOYSA-N 377.396 4.864 0 50 GJAA CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4911412 KFUAGCMAFCDGLQ-AWEZNQCLSA-N 391.920 4.799 0 50 GJAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)n1 77339651 OXXKQOMFIVUBOA-QFIPXVFZSA-N 377.463 4.665 0 50 GJAA CCCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 95513351 GGASWDWHNQOMMD-SFHVURJKSA-N 396.487 4.559 0 50 GJAA CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c2ccccc21 100498465 WBDVBOGLLDABFR-UHFFFAOYSA-N 391.254 4.676 0 50 GJAA CCCc1nnc(SCc2csc(N(C(C)=O)c3ccccc3F)n2)o1 122401914 NIYHABCYZVTVFG-UHFFFAOYSA-N 392.481 4.595 0 50 GJAA C[C@]12CC[C@H]3[C@@]1(C)C[C@@]32C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 240499922 NOUAHAVQAIHVSW-AWDZXFJFSA-N 379.887 5.336 0 50 GJAA Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cn1cc2ccccc2n1 253431833 UOPZAVCPXWDIIL-UHFFFAOYSA-N 399.454 4.627 0 50 GJAA Cc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)c1 299798313 SEBYOYBLOGOFLT-VWLOTQADSA-N 387.527 4.835 0 50 GJAA CC(C)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408707478 BVXQTXCMTVMERS-UHFFFAOYSA-N 386.495 4.697 0 50 GJAA Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)n(-c2cccc(Cl)c2)n1 728806819 DHCUMWNGYUTVJH-UHFFFAOYSA-N 399.640 4.927 0 50 GJAA CC(C)(C)c1ccc2[nH]c(C(=O)NCc3noc(-c4cccs4)n3)cc2c1 1467797106 LJDRTASCLBPFBA-UHFFFAOYSA-N 380.473 4.507 0 50 GJAA CN(CC[C@H]1CCCCO1)Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1506397464 UXJBBHDRBSKGPA-OAHLLOKOSA-N 377.868 4.689 0 50 GJAA CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)c(OCC)c1 1875358305 QWFAHJUXTIUGOT-UHFFFAOYSA-N 399.878 4.790 0 50 GJAA C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2nccc3ccccc23)cs1 2325731512 IPMNJYHMMMOHQF-CQSZACIVSA-N 375.453 4.764 0 50 GJAA CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 670008 PGEHCTQVPUQBQP-URFUVCHWSA-N 397.449 4.571 0 50 GJAA O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1ccccc1 910851 PTCXQBGYHBYHGF-UHFFFAOYSA-N 393.826 4.595 0 50 GJAA Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCOCC3)c2c1 993200 MUTLVPOQDNOFDT-UHFFFAOYSA-N 394.902 4.953 0 50 GJAA Cc1nn2c(-c3cccc(NC(=O)c4cccs4)c3)nnc2c2ccccc12 1113802 NILBDTDNVXQFRX-UHFFFAOYSA-N 385.452 4.567 0 50 GJAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1Cl 1115580 OWPCQJUIEQRQEO-SNVBAGLBSA-N 384.657 4.517 0 50 GJAA COc1ccc([C@@H](O)[C@@H](Nc2ccc(C)cc2)c2nc3ccccc3n2C)cc1 1185714 KZLKEGZICQIGRC-DHIUTWEWSA-N 387.483 4.777 0 50 GJAA COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 2415084 HMDPIJFQSCMDNC-NSHDSACASA-N 392.238 4.842 0 50 GJAA Cc1c(Cl)cccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 2787161 AMESPWIGMPCYBK-UHFFFAOYSA-N 376.243 4.787 0 50 GJAA O=c1c2ccccc2nc(SCCOc2ccccc2F)n1-c1ccccc1 2830395 LALZIYOZCPAMHP-UHFFFAOYSA-N 392.455 4.696 0 50 GJAA CCc1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)nc1-c1ccccc1 2830509 NNZVNSMGBKKPKU-PKNBQFBNSA-N 378.453 4.753 0 50 GJAA COc1ccc(Cl)cc1NC(=O)CSc1ccc(Br)cc1 2838266 ZJGZCVXOPQKRTC-UHFFFAOYSA-N 386.698 4.842 0 50 GJAA Cc1ccc2[nH]c(SCC(=O)NCCC34CC5CC(CC(C5)C3)C4)nc2c1 4171272 DIIZIWSCAGIOGK-UHFFFAOYSA-N 383.561 4.686 0 50 GJAA CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4912791 KXVMBGOTRWGFNM-KRWDZBQOSA-N 383.488 4.837 0 50 GJAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6398934 MWSWUTDFJGUFHS-KRWDZBQOSA-N 394.902 4.609 0 50 GJAA CC[C@@H](C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341513 AFHJKYWSNHBJDC-MRXNPFEDSA-N 382.479 4.830 0 50 GJAA COC[C@@H]1CCN(Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 11952062 FMUCJWTVQJTHST-QGZVFWFLSA-N 397.469 4.594 0 50 GJAA COCc1cc(C)nc2sc(C(=O)OCc3ccccc3)c(-n3cccc3)c12 12445347 DGTRROKFGPUQRD-UHFFFAOYSA-N 392.480 4.899 0 50 GJAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 15017197 DNNCFMOWYWOBDJ-IRLDBZIGSA-N 382.891 4.592 0 50 GJAA Cc1cc(C(=O)Nn2c(=S)[nH]c3sc(-c4ccccc4)cc3c2=O)cs1 17081754 BEFZRUOMNCBZEZ-UHFFFAOYSA-N 399.522 4.541 0 50 GJAA CCc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@@H]3C)c2c1 63855767 AWAIEEDWNXZQQJ-INIZCTEOSA-N 376.504 4.866 0 50 GJAA Cc1cccc(C)c1-c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 67975329 FFJVKAVSIYTGQS-FQEVSTJZSA-N 378.516 4.833 0 50 GJAA O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@@H]2c2nccs2)cc1 95530087 QBSNICKTOAHEBV-QGZVFWFLSA-N 385.489 4.612 0 50 GJAA Cc1coc(-c2cccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)c2)n1 154711185 JQKDBHSSIBQYFS-UHFFFAOYSA-N 387.443 4.606 0 50 GJAA CC(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C1 1073343847 SFFGONPIWZSCDM-ACIOBRDBSA-N 389.499 4.587 0 50 GJAA Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1Br 1775970983 BRFUENKLDNBDIW-UHFFFAOYSA-N 388.714 4.829 0 50 GJAA O=C(CCc1c[nH]c2ccccc12)Nc1ccc(NC(=O)Nc2ccccc2)cn1 2325821474 RSPSOBVRHDDNSF-UHFFFAOYSA-N 399.454 4.778 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 688766 OJMSZKDBPLFEIK-SAAWKEMMSA-N 382.529 4.650 0 50 GJAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 941277 OGJKUIQMUIQGMN-UHFFFAOYSA-N 375.255 4.647 0 50 GJAA Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(F)cc1 1053356 ZYUHQVCJWRZPHS-UHFFFAOYSA-N 394.880 4.929 0 50 GJAA CC(=O)Oc1cc(C)c2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 1152316 GGRVTJMWHKFQIQ-UHFFFAOYSA-N 378.302 4.838 0 50 GJAA O=c1oc2ccccc2cc1-c1csc(Cc2nc3c(s2)CCCC3)n1 2700406 DKZGVNPMKQDCOT-UHFFFAOYSA-N 380.494 4.843 0 50 GJAA C[C@@H](CS(=O)(=O)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 4072768 OJPONBYPQIQDFK-FQEVSTJZSA-N 393.552 4.661 0 50 GJAA CCc1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 11821321 WLKOSXVGTXCOAE-NRFANRHFSA-N 391.471 4.632 0 50 GJAA Cc1ccc(C)c(-n2cc(CN(C)C3CCOCC3)c(-c3ccccc3)n2)c1 11842390 LUQAXTYZFFNRQZ-UHFFFAOYSA-N 375.516 4.767 0 50 GJAA COc1cc(-c2c(OC)cccc2OC)cc2c1OCCN(C1CCCC1)C2 12283678 KFTBJDQWBRLVJV-UHFFFAOYSA-N 383.488 4.516 0 50 GJAA O=C(CC1CCCC1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 14947965 KLVHXAVRTZGSAQ-LJQANCHMSA-N 390.518 4.606 0 50 GJAA Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)cc1C 14966838 ANSUOHFUCUCIIZ-UHFFFAOYSA-N 382.552 4.630 0 50 GJAA COc1cc(-c2nc(CN3CCC(c4ccncc4)CC3)c(C)o2)ccc1F 20454885 MTSQLRKWUFPROB-UHFFFAOYSA-N 381.451 4.572 0 50 GJAA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1[nH]cnc1C)CC2 22023252 YSNYSFYRSFKYIG-QFIPXVFZSA-N 397.906 4.536 0 50 GJAA Clc1ccc(/C=C/c2nn3c(CN4CCCCC4)nnc3s2)c(Cl)c1 39389253 HOWWPVWACOUXKE-FNORWQNLSA-N 394.331 4.649 0 50 GJAA COc1ccc(-c2nc(CN(C)Cc3ccc4nsnc4c3)c(C)o2)cc1C 59329453 UPYXAUJVGDUKJE-UHFFFAOYSA-N 394.500 4.604 0 50 GJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(-c3ccccc3)no1)CCO2 67676891 UIBKOWWDZDGQLD-UHFFFAOYSA-N 399.450 4.817 0 50 GJAA CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@]2(C)C(=O)c1ccc(C)cc1 100148333 COLOXOVVOKQLDC-NQHRYMMQSA-N 384.431 4.629 0 50 GJAA COc1ccc(Oc2ccc(NC(=O)Nc3c(C)noc3C3CC3)cn2)cc1 122089649 IRESYMNNEBJZEQ-UHFFFAOYSA-N 380.404 4.700 0 50 GJAA CCCc1ncc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)s1 172878006 AACXHDHTFSRVES-CYBMUJFWSA-N 380.897 4.559 0 50 GJAA CCOc1ccc([C@@H]2N[C@@H](c3ccc(OCC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 252516302 RLULKLZQZHUHMW-LUKWVAJMSA-N 379.500 4.855 0 50 GJAA CC(C)c1ccc(S(=O)(=O)N2CCCSC[C@@H]2c2ccccc2)cc1 1464374588 POIHAGMDZAPSKZ-HXUWFJFHSA-N 375.559 4.679 0 50 GJAA O=C(COc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 993051 GDGVSOXPYHIBIS-UHFFFAOYSA-N 383.806 4.993 0 50 GJAA Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Br 1111121 QAEFXSAIAZEGEF-UHFFFAOYSA-N 376.275 4.712 0 50 GJAA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1Cl 1135014 PIDXLGKKUOZPMT-UHFFFAOYSA-N 394.327 4.720 0 50 GJAA O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1217008 MSHWZKMNYQFFJO-UHFFFAOYSA-N 377.831 4.901 0 50 GJAA Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)cc2)cc1 2980719 YVHOMAYMNHSESL-UHFFFAOYSA-N 379.978 4.931 0 50 GJAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1Cl 2993326 GFZKYBPOLUXPPZ-UHFFFAOYSA-N 398.875 4.705 0 50 GJAA O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 3028247 UUYWQNQGMQSMLB-UHFFFAOYSA-N 382.366 4.793 0 50 GJAA Cc1cc(C)c(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 4991258 CRYLSSJYSIDIEL-UHFFFAOYSA-N 386.923 4.960 0 50 GJAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)N(C1CCCCC1)C1CCCCC1 6660635 RFDXZPGZGWHWPC-QFIPXVFZSA-N 385.548 4.902 0 50 GJAA CC(C)c1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n[nH]1 11936078 JEMSMQUWSHFCCV-SFHVURJKSA-N 392.503 4.644 0 50 GJAA C/C=C(\C)C(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12001448 DMLHSCSMXWGRMI-XPMGFOTESA-N 389.904 4.657 0 50 GJAA O=C(c1ccc(OC2CCN(C[C@H]3CC=CCC3)CC2)cc1)N1CCCCC1 12836831 CLIWUZHUQOVCNN-FQEVSTJZSA-N 382.548 4.512 0 50 GJAA CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 13331397 IPXHYLRZKNGHCF-UHFFFAOYSA-N 378.476 4.899 0 50 GJAA O=C(Nc1ccnn1C1CCN(CCCC2CCCC2)CC1)c1cccc(F)c1 15067967 GRRRQXJYQLNXCN-UHFFFAOYSA-N 398.526 4.882 0 50 GJAA O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H]1CC=CC[C@H]1C(=O)O 17081213 LXULDCFXHOSSLS-WDEREUQCSA-N 397.283 4.722 0 50 GJAA Cc1cccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc12 63845955 NZLHCTTZDIFESW-INIZCTEOSA-N 376.504 4.786 0 50 GJAA Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(c1nccs1)C2 67855485 KOUTUGACRZPXGU-UHFFFAOYSA-N 381.482 4.524 0 50 GJAA CCc1nccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 71419598 PWSZXTQLZIZUDM-INIZCTEOSA-N 377.454 4.903 0 50 GJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H](C)CN(C)C)cc(Cl)cc12 71749511 DJTWZUKXBHFTOG-AWEZNQCLSA-N 383.923 4.611 0 50 GJAA CS(=O)(=O)Cc1cccc(CNCc2ccc(Sc3ccccc3)cc2)c1 157074650 IKXLMLQQAJBFFY-UHFFFAOYSA-N 397.565 4.672 0 50 GJAA CCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)[C@H]1CCCc2cccnc21 170617610 FSMJVTOSTREPSR-SFHVURJKSA-N 384.524 4.615 0 50 GJAA Cc1nn(C)cc1-c1cccc(C(=O)N2CCC3(CCc4ccccc43)CC2)c1 299770969 ORXYRTDYUQOGIH-UHFFFAOYSA-N 385.511 4.516 0 50 GJAA COc1cccc2cc([C@H]3CC(c4cccc(F)c4)=NN3C(C)=O)c(Cl)nc12 328598316 LEYBZMUUWUXHQL-GOSISDBHSA-N 397.837 4.734 0 50 GJAA COc1cccc(OC[C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 952980052 CDNCICCSMYAPKB-SFHVURJKSA-N 392.499 4.543 0 50 GJAA CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 1464248548 WJBBQSRHZYSZGK-IFXJQAMLSA-N 384.907 4.842 0 50 GJAA CCN(C[C@@H](C)O)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 2325721755 PMBDBJQEZAOATH-OAHLLOKOSA-N 390.512 4.627 0 50 GJAA C[C@H]1CN=C(N2CCC[C@H](CCCc3ccccc3)C2)N1Cc1ccccc1 2325841827 HJDRBHFOTDWBSE-GMAHTHKFSA-N 375.560 4.982 0 50 GJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3cccs3)cc12 637503 LNBMMGGPLBCMPY-UHFFFAOYSA-N 394.427 4.610 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 1158472 VEDIKQVBPVKGOQ-UHFFFAOYSA-N 395.261 4.623 0 50 GJAA Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)c(C(C)C)c1 2051952 CUAAGQOUXMQOHX-UHFFFAOYSA-N 384.501 4.724 0 50 GJAA Nc1c(-c2ccc(Cl)cc2)cnc2nc(SC/C=C/c3ccccc3)nn12 2555671 GEIVCNNEVZTGTC-QPJJXVBHSA-N 393.903 4.832 0 50 GJAA CCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 2590341 WEALMQHRMWUZMN-UHFFFAOYSA-N 391.862 4.730 0 50 GJAA CCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc2c1CCCC2 2706936 AKGJAEPSHDKKRI-UHFFFAOYSA-N 375.490 4.530 0 50 GJAA CCc1c(C)sc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1C(N)=O 2772757 OJBDSYLKJMTOHZ-UHFFFAOYSA-N 396.896 4.977 0 50 GJAA CC1CCC(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)CC1 2794576 IAFABPSDSSKLJE-UHFFFAOYSA-N 382.291 4.535 0 50 GJAA C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799897 GJXGXRQWBBRFKZ-QMTHXVAHSA-N 385.357 4.724 0 50 GJAA CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 2814361 VAFNCLKSCDUQPN-FXBPSFAMSA-N 378.516 4.671 0 50 GJAA Cc1ccc(C(=O)O)cc1NC(=O)Nc1ccc(Br)cc1Cl 2853087 MAKJKVWHTXNTBV-UHFFFAOYSA-N 383.629 4.753 0 50 GJAA COc1cc(C=O)ccc1OCCOCCOc1c(C)cc(Cl)cc1Cl 2991340 XISAXEMYFQRORE-UHFFFAOYSA-N 399.270 4.597 0 50 GJAA aggregator CCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 4590838 XUKZXYICKPFHFJ-UHFFFAOYSA-N 383.300 4.909 0 50 GJAA COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)cc1 6521905 ODDZEEPSJOHHRZ-UHFFFAOYSA-N 398.462 4.692 0 50 GJAA COc1ccc(-c2nc3cc(NC(=O)COc4ccc(F)cc4)ccc3o2)cc1 8586655 CVTSEDLEVUKQPF-UHFFFAOYSA-N 392.386 4.660 0 50 GJAA Cn1c(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccnc2)n[nH]c1=S 13142691 UCICTXASSIZLEY-UHFFFAOYSA-N 393.419 4.835 0 50 GJAA O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(N2CCCCC2)c2nonc12 13328481 ABVJVRQSEYVNKY-UHFFFAOYSA-N 389.818 4.650 0 50 GJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)ccc2c1 20149126 FGGJBOYDIFAKAY-HXUWFJFHSA-N 399.494 4.820 0 50 GJAA Cc1cccc(-c2cccc(-c3ccn([C@@H](C)C(=O)Nc4nccs4)n3)c2)n1 20707036 WQMFFCBSXYLPLX-HNNXBMFYSA-N 389.484 4.577 0 50 GJAA Cc1ccc2c(C(=O)N3CCC4(CCCC4)C3)cc(-c3cncnc3)nc2c1C 63883889 XWIJFQHFIZLPMZ-UHFFFAOYSA-N 386.499 4.715 0 50 GJAA O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 100519169 WZYXZSRYDHWAAA-OAQYLSRUSA-N 380.447 4.737 0 50 GJAA C[C@H](NCc1cccc2cccnc12)c1ccc(I)cc1 120535097 DDEYMUYTSZCXKD-ZDUSSCGKSA-N 388.252 4.690 0 50 GJAA O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(Cl)o1 225600239 KXPGFGFYOBGUDR-UHFFFAOYSA-N 384.535 4.846 0 50 GJAA CC(C)(C)OC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 729574545 YVMJSXLCROYKDA-RBPQIDMKSA-N 385.508 4.980 0 50 GJAA Cc1nc2cc(C(=O)N3CCCC[C@@H]3CCc3cccc(O)c3)ccc2s1 952967365 JLXOGXAOTWPWDV-GOSISDBHSA-N 380.513 4.938 0 50 GJAA CC[C@@H](c1cn2cccnc2n1)n1ccnc1-c1ccc(CC(F)(F)F)cc1 1857694523 QSOQNDRKFUXXSB-KRWDZBQOSA-N 385.393 4.697 0 50 GJAA O=C(O)[C@@H](c1cccc2ccccc12)N1CC[C@@H](COCc2ccccc2)C1 1875282823 UEMYUHARJACAIQ-AUSIDOKSSA-N 375.468 4.504 0 50 GJAA O=C(NC[C@@H]1CC[C@H](c2ccccc2)O1)c1cc2cc(Br)ccc2[nH]1 1875311451 ZLKXMLGFLBAIOX-QFBILLFUSA-N 399.288 4.581 0 50 GJAA O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc2cc(F)ccc2[nH]c1=O 1875341333 PAXFVHKHIMUSDU-RDTXWAMCSA-N 398.865 4.777 0 50 GJAA COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc(-c2ccccc2Cl)cc1 2325825498 RVDZMMWOYWQECN-YWZLYKJASA-N 385.891 4.665 0 50 GJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 995627 SWLSHNFDEWBASP-GFCCVEGCSA-N 390.936 4.904 0 50 GJAA Cc1ccc(N2C(=O)C[C@@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1C 1163615 CZCUILIEJKNUCD-RUZDIDTESA-N 381.475 4.943 0 50 GJAA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl 2309368 NVUHNTHYEMTFGQ-UHFFFAOYSA-N 389.691 4.782 0 50 GJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3OC)s2)c1 2335352 DBCUOYMFTQXWJU-UHFFFAOYSA-N 384.461 4.647 0 50 GJAA COc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1 2835417 SFWBEDXVXBHOCA-UHFFFAOYSA-N 390.464 4.867 0 50 GJAA O[C@@H](CNCc1ccco1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4190379 MYFKSKBVPJLTID-HNNXBMFYSA-N 389.282 4.845 0 50 GJAA O=c1nc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)[nH]1 4576301 DZQGQBQBTPOJDD-FPYGCLRLSA-N 390.336 4.677 0 50 GJAA COc1c(F)c(F)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1F 4727701 RXIBJWHASAPCSM-FXKAAHHESA-N 385.401 4.586 0 50 GJAA COc1cc2c(cc1NC(=O)c1ccccc1OC(C)=O)oc1ccccc12 4869033 FEYAVGWMTMMINW-UHFFFAOYSA-N 375.380 4.772 0 50 GJAA COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)C(C)C 5064722 FCSZHQINIQDDGW-UHFFFAOYSA-N 384.520 4.835 0 50 GJAA Cc1cccc(-n2c(S)nnc2-c2cccc(OC(F)(F)C(F)F)c2)c1 6628173 ULNFWNNCEZMLKR-UHFFFAOYSA-N 383.370 4.768 0 50 GJAA CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C(C)C 6700646 VWNFDSKKLZXALR-UHFFFAOYSA-N 383.897 4.672 0 50 GJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 11667743 PNTUVUDBMZMCJM-NRFANRHFSA-N 389.474 4.738 0 50 GJAA Cc1ccsc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 11842502 KYRRHJYITFXUEN-SFHVURJKSA-N 390.980 4.737 0 50 GJAA Fc1cccc(-c2n[nH]cc2CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1 12437727 AHEMQOAXEHTFCX-GOSISDBHSA-N 386.421 4.571 0 50 GJAA Cc1ccc(-c2cc(C(=O)NCC[C@@H](c3ccc(F)cc3)c3ccco3)[nH]n2)o1 91643349 LWWPRNYOGHKZMU-KRWDZBQOSA-N 393.418 4.662 0 50 GJAA O=C(Nc1ccnn1C1CCCCC1)N(Cc1ccccn1)Cc1ccco1 95506682 QZXMUUDEWQVKJR-UHFFFAOYSA-N 379.464 4.611 0 50 GJAA Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@H]3c3cc(C(C)C)on3)ccc12 95515430 ZMJVPDSZEMEZBF-KRWDZBQOSA-N 381.432 4.582 0 50 GJAA C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(Br)c2)C1 229392350 WOSHGJDZGIGEAO-XJKSGUPXSA-N 393.325 4.869 0 50 GJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)c(OC)c1 245380953 WPKQCEHJZJSIBU-URXFXBBRSA-N 386.451 4.946 0 50 GJAA Clc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)cc1 263616300 HYZANZFTTLNMKX-KRWDZBQOSA-N 378.819 4.525 0 50 GJAA Cc1cccc2cc(C(=O)N(Cc3ccncc3)C[C@@H](O)c3ccccc3)oc12 426361425 VCDIFUWBGGGNRH-OAQYLSRUSA-N 386.451 4.512 0 50 GJAA O=C(O)c1ccc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl 846246225 NHLQMGHEUYCUBY-IBGZPJMESA-N 394.298 4.637 0 50 GJAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(C)[C@@H](c1ccc(F)cc1)C1CC1 2325708718 YGBBSJCWGGNMMG-SJLPKXTDSA-N 388.508 4.708 0 50 GJAA CCCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1 648294 RAWFJNMSDJGRMK-UHFFFAOYSA-N 386.300 4.975 0 50 GJAA CC(C)OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 994692 JREODLFWCINSBM-UHFFFAOYSA-N 375.465 4.974 0 50 GJAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 1141360 SVAJTSIKIFBMKB-CQSZACIVSA-N 395.355 4.823 0 50 GJAA O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 1212375 XYQGPJXDRFPJAM-UHFFFAOYSA-N 389.274 4.590 0 50 GJAA COc1ccc(Cn2c(-c3ccccc3)c(-c3ccccc3)oc2=O)cc1OC 1429620 YKGPUBQJQDAZCZ-UHFFFAOYSA-N 387.435 4.841 0 50 GJAA CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2842991 AAUKGQWLCRGRAW-IRXDYDNUSA-N 399.292 4.586 0 50 GJAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 2883472 LTVVHYBNJNTVBA-UHFFFAOYSA-N 381.545 4.667 0 50 GJAA COc1c(Cl)cc(C(=O)Oc2ccccc2Br)cc1Cl 2885797 ZLAPWVHIPZWKGK-UHFFFAOYSA-N 376.033 4.984 0 50 GJAA CC(C)C(=O)N(Cc1cccc(OCCc2cccs2)c1)C[C@H]1CCCO1 12245258 CEULBVKRKSTHFC-HXUWFJFHSA-N 387.545 4.533 0 50 GJAA Fc1cccc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)c1 170640000 UQBQZWNGNSWTFL-UHFFFAOYSA-N 393.447 4.626 0 50 GJAA CCc1c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)cnn1-c1cccc(Cl)c1 186418552 LJMTUOREYWELAH-ZDUSSCGKSA-N 383.883 4.508 0 50 GJAA C[C@H](Cc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 216007929 XYALBGQTXQJAKV-UMEGOILYSA-N 375.512 4.908 0 50 GJAA O=C(O)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 373853734 BEISPJSDZDMBLM-BFYDXBDKSA-N 383.410 4.650 0 50 GJAA O=C(NCc1nncn1C1CCCCC1)c1ccc(CSc2ccccc2)o1 828164175 ULZXVHFGRJDGJU-UHFFFAOYSA-N 396.516 4.599 0 50 GJAA Cn1ccc([C@@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)n1 931086140 GDAIBLRBVKSQHC-CQSZACIVSA-N 394.441 4.672 0 50 GJAA C[C@H](O)c1nc2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2[nH]1 952970132 HRBDSHAFUPUVJG-ZDUSSCGKSA-N 393.468 4.754 0 50 GJAA CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cccc(CN4CCCC4)c3)cc2c1 1290817683 HTKNEMJNGJILIA-UHFFFAOYSA-N 389.543 4.991 0 50 GJAA Cc1ccccc1-c1ncc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)s1 1857713695 DEUJRUMLUWRZNB-KRWDZBQOSA-N 395.528 4.883 0 50 GJAA O=C(N[C@H]1CCc2c(C(=O)O)cccc21)OCC1c2ccccc2-c2ccccc21 1857782904 ATEDIMVOPSVUMR-QHCPKHFHSA-N 399.446 4.911 0 50 GJAA C[C@@H]1CN(C(=O)[C@H](c2ccccc2)n2cnc3ccccc32)Cc2ccccc21 1875259263 XIHYZUQGHZHKTC-KOSHJBKYSA-N 381.479 4.772 0 50 GJAA C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2C[C@H]3[C@H](C)[C@H]3C2)n1CC1CC1 2325839750 DARQTOIJJWTTHZ-WWLNLUSPSA-N 388.515 4.683 0 50 GJAA O=C(Nc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 793419 HHLGYMNKUPPIBP-UHFFFAOYSA-N 383.801 4.713 0 50 GJAA Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)c1 948946 KIUOHOATNGCPFY-UHFFFAOYSA-N 396.439 4.780 0 50 GJAA biogenic COc1ccc(-c2cc(C(=O)Oc3ccc(C=O)cc3)c3ccccc3n2)cc1 1173566 WHIJCZHWNUDAAG-UHFFFAOYSA-N 383.403 4.942 0 50 GJAA biogenic COc1cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC 1485577 DNOKYISWMVFYFA-UHFFFAOYSA-N 387.439 4.970 0 50 GJAA in-vitro CCN(Cc1cccc(C(C)=O)c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 12073792 BWWLSGSZQIRPAK-QHCPKHFHSA-N 396.550 4.805 0 50 GJAA CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12150636 VKEOCIHFBJPSSE-NHYWBVRUSA-N 391.920 4.737 0 50 GJAA O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19827561 XHQJYSCHUQBXDN-JWQCQUIFSA-N 396.534 4.724 0 50 GJAA COc1cccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)c1 20603330 CQLGJHKJANSKPZ-UHFFFAOYSA-N 395.406 4.729 0 50 GJAA C[C@@H]1CCCN(C(=O)c2cc(-c3cnn(C(C)(C)C)c3)nc3ccccc23)C1 63872149 PWMOWMDRTQLQKD-MRXNPFEDSA-N 376.504 4.725 0 50 GJAA O=C(c1ccccc1O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71759929 VFWRWCSWRNYDRJ-OAHLLOKOSA-N 377.406 4.896 0 50 GJAA OC[C@@H]1CCCN(Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 72481533 HUTVNCQPTTUAKP-MRXNPFEDSA-N 399.897 4.536 0 50 GJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 91650604 UGHZWUNXNCNONI-HXUWFJFHSA-N 375.476 4.619 0 50 GJAA CSc1cccc(CN(C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 96162391 SWSGQLMMUXXFKQ-IBGZPJMESA-N 386.517 4.630 0 50 GJAA Fc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1Br 244866499 VXCVNBYMELAWRG-WOJBJXKFSA-N 395.360 4.817 0 50 GJAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2ccc(N(C)C)cc2)c1 299769752 UJNFDIIDVIBLHJ-KRWDZBQOSA-N 376.504 4.593 0 50 GJAA Cc1cccnc1OC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 328594623 ZRADNWQXFDVWER-UHFFFAOYSA-N 393.512 4.506 0 50 GJAA O=C1Cc2cc(CCCC(=O)N3C[C@@H](c4ccccc4)c4ccccc43)ccc2N1 470224521 SMBNLLUTIUXMGH-QFIPXVFZSA-N 396.490 4.683 0 50 GJAA O=C(O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 846234511 SAIJLCHVIBYYHR-MOPGFXCFSA-N 394.298 4.565 0 50 GJAA C[C@@H](C(=O)Nc1cccnc1Cl)n1cc(-c2cccc(Cl)c2Cl)nn1 2325776520 USVBGMLFMRJIGD-VIFPVBQESA-N 396.665 4.500 0 50 GJAA N[C@@H]1CCCc2cc(-c3nc(-c4cc(F)cc(Br)c4)no3)ccc21 2325822006 WAZQXURUPFZUSR-MRXNPFEDSA-N 388.240 4.641 0 50 GJAA O=C1NCCC12CC(N[C@H](c1ccc(Cl)cc1)c1cccc(C3CC3)c1)C2 2325827654 MDVIRSHHTWTNIJ-WQMHRJNTSA-N 380.919 4.565 0 50 GJAA Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1124311 QYNWSAODUQXOBP-UHFFFAOYSA-N 378.516 4.783 0 50 GJAA COc1ccc(OC)c(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c1 1141762 UGQROOBGJSHOKU-UHFFFAOYSA-N 377.506 4.751 0 50 GJAA Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2F)c(Cl)c1 1185692 SCDMHKSWGJYTEB-UHFFFAOYSA-N 386.648 4.876 0 50 GJAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c(Br)cccc12 1216625 NXMVFPFFBDMRMZ-UHFFFAOYSA-N 384.229 4.626 0 50 GJAA CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CCC2 1773370 CHESTSWDDBABAQ-UHFFFAOYSA-N 387.501 4.520 0 50 GJAA Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1ccco1)C3 2338434 ZSIJRWQPTAZBHQ-AWEZNQCLSA-N 377.831 4.864 0 50 GJAA O=C(c1ccccc1F)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5423322 DJVBDWNPKHBBIM-UHFFFAOYSA-N 379.435 4.851 0 50 GJAA Cc1ccc2[nH]c(S[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 9096240 ZOMBUEIITZWVPE-GOSISDBHSA-N 378.457 4.640 0 50 GJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccsc1 11822056 AJQVVIONEDGXIE-NRFANRHFSA-N 393.512 4.929 0 50 GJAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCC[C@@H]1c1ccccn1 12301505 XSBYRBXQMZBWRH-JOCHJYFZSA-N 397.478 4.985 0 50 GJAA COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 14009105 XJFWSFJDEHGRIM-GDNBJRDFSA-N 390.258 4.699 0 50 GJAA Cc1ccsc1CN1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 14965922 WEQRKCIOHYFXPP-SFHVURJKSA-N 398.601 4.857 0 50 GJAA Cc1ccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnn(C(C)C)c3)nc2c1 63868892 VXJYXITWIFDGKA-UHFFFAOYSA-N 376.504 4.860 0 50 GJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 241586390 OVOIFXKKUCJITK-IEBWSBKVSA-N 375.299 4.750 0 50 GJAA CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 253618999 GVIBMJZVMHMBKI-DIPHUWLNSA-N 384.516 4.733 0 50 GJAA Clc1ccc(-n2cnc3ccc(-c4nc(CC5CCOCC5)no4)cc32)cc1 809393921 HWVVFFKOFUHSQL-UHFFFAOYSA-N 394.862 4.698 0 50 GJAA CN(C[C@@H]1CCCN(c2nc(Cl)cc3ccccc23)C1)C(=O)OC(C)(C)C 1875337507 WNZKETJWKPLFOZ-HNNXBMFYSA-N 389.927 4.972 0 50 GJAA O=C(OCCCn1c(O)nc2ccccc21)c1cccc(Nc2ccccc2)c1 1875354989 WLKWVZHMAPZVJU-UHFFFAOYSA-N 387.439 4.733 0 50 GJAA Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1 1001102 JOMIDJIZALJVIQ-LJQANCHMSA-N 390.491 4.567 0 50 GJAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 1081641 HIPRBJJSSLEBEO-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA c1ccc(CNc2ncnc3scc([C@@H]4COc5ccccc5O4)c23)cc1 1110547 AGVBRFMXEUZIPW-SFHVURJKSA-N 375.453 4.816 0 50 GJAA COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](c2cccs2)C4)cc1 9341674 CFSUOQZYJUAYBQ-OAHLLOKOSA-N 389.480 4.688 0 50 GJAA C/C=C(\C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12001440 DMLHSCSMXWGRMI-GZOXUHRPSA-N 389.904 4.657 0 50 GJAA COc1cc(Cl)c(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1OC 12707619 CMQBXUASCUJYIM-CQSZACIVSA-N 385.895 4.702 0 50 GJAA COCC1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 14950111 NISKOYKUTONFIK-UHFFFAOYSA-N 381.564 4.993 0 50 GJAA O=C(c1cccs1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19933597 BOYLFUZMPFVYNA-UHFFFAOYSA-N 398.478 4.574 0 50 GJAA Cc1ccc(C(C)C)c(OCc2nn3c(CN4CCCCCC4)nnc3s2)c1 49545911 KKVYQNPBAGVLOX-UHFFFAOYSA-N 399.564 4.573 0 50 GJAA COc1ccc2cc([C@@H]3CN(c4nc(C)nc5sccc45)CCO3)ccc2c1 71711929 INECWDMIDDWXFH-FQEVSTJZSA-N 391.496 4.739 0 50 GJAA O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H](c1ccccc1F)C1CCCC1 132253451 GNAZCWYMJOMEMO-FQEVSTJZSA-N 397.450 4.835 0 50 GJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 242339207 ZFXHABJSDFWQQE-DNVCBOLYSA-N 392.396 4.601 0 50 GJAA COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@@H](C(C)(C)C(C)C)C[C@H](C)C1=O 248189237 JQRKTVYMLPNBDE-AQXBJYLJSA-N 388.504 4.829 0 50 GJAA biogenic CO[C@@](C)(CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F)c1ccccc1 1470221353 KBIXNTWZBPPHNG-IRLDBZIGSA-N 388.458 4.763 0 50 GJAA C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875263346 QVNSDNWHXYQQRG-PDIWNELESA-N 393.531 4.535 0 50 GJAA C[C@]1(CNc2nc(-c3ccccn3)nc3sccc23)OCCc2sccc21 1875339521 NJHRJWCNBOFVLN-HXUWFJFHSA-N 394.525 4.715 0 50 GJAA CC(=O)Nc1ccc(/C=C/C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1 2325719746 MQAVCIOOLXDUOD-MDWZMJQESA-N 388.423 4.589 0 50 GJAA O=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1 626421 HECRUWTZAMPQOS-PKTZIBPZSA-N 387.435 4.665 0 50 GJAA in-vitro COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N([C@H]1CCSC1)CC2 2472590 ZAYLDBJBXASQCG-LAUBAEHRSA-N 389.948 4.810 0 50 GJAA O=C(O)[C@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 2562457 YDLDAMFCNLVPGY-JOCHJYFZSA-N 385.419 4.577 0 50 GJAA in-vitro Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=S)NCC(C)C 2793514 LVNFJZGBFANJKC-UHFFFAOYSA-N 385.364 4.797 0 50 GJAA CCOc1cc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O 4572941 PIIIGNIQBPOJPH-OEMMCLACSA-N 392.839 4.639 0 50 GJAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5631337 DBKJUQTWUYLUEB-MNOVXSKESA-N 397.283 4.722 0 50 GJAA COc1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)nc(=O)[nH]3)o2)cc1Cl 6294878 DWTOLWMPSMUXRS-ONEGZZNKSA-N 396.752 4.881 0 50 GJAA CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)cc1 9341079 GZZVGSRNXFEWBB-UHFFFAOYSA-N 382.479 4.659 0 50 GJAA CCc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1 9597913 PAWICRCBIOUWDZ-UHFFFAOYSA-N 393.274 4.658 0 50 GJAA O=C(CCC1CCN(Cc2cc3ccccc3o2)CC1)NCc1ccc(F)cc1 11817277 SSIFFMHVZNPIMJ-UHFFFAOYSA-N 394.490 4.881 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC[C@H]1CCc1ccccn1 11933397 POHUUGCOXLUGOD-IBGZPJMESA-N 375.472 4.728 0 50 GJAA COc1ccc(CNCC[C@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13511987 BWDBVIZIEPZRRP-STWLZBDKSA-N 380.576 4.764 0 50 GJAA CCNC(=O)c1sc2ncnc(NCc3cc4ccccc4s3)c2c1C 15068002 BTMVGGRZFHAFHH-UHFFFAOYSA-N 382.514 4.576 0 50 GJAA CCCN1CCC2(CC1)N=C(c1ccc(Cl)cc1)[C@H]1[C@@H](c3ccccc3)N12 25504140 FYYBQIDGJNHVDB-OCTGXNKJSA-N 379.935 4.770 0 50 GJAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)on1 35511460 HJNATNUYGBMYCD-CQSZACIVSA-N 382.233 4.508 0 50 GJAA Cc1ccc(-n2cc(CN3CCOC(C)(C)C3)c(-c3ccc(F)cc3)n2)cc1 72453799 SVNPIWOPNXYPPQ-UHFFFAOYSA-N 379.479 4.598 0 50 GJAA OC[C@@H]1CCCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 72457492 DEHUFGOOTAJQKB-OAHLLOKOSA-N 384.882 4.899 0 50 GJAA Cc1nc2cc(C(=O)Nc3nccc4ccncc34)ccc2n1-c1ccccc1 170614294 NHRJTLFCSHKPDE-UHFFFAOYSA-N 379.423 4.529 0 50 GJAA Cc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1N1CCOC1=O 174940873 KPMMYVMFUPRFKR-FQEVSTJZSA-N 397.450 4.754 0 50 GJAA O=C1C[C@@H](c2ccnc3ccccc23)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253414427 XMACWYDPFYBJKH-IBGZPJMESA-N 395.414 4.612 0 50 GJAA biogenic C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)O)C1 729201 ZSYQKSGFYKGCAP-VIFPVBQESA-N 394.290 4.586 0 50 GJAA O=c1c2ccccc2nc(-c2cccs2)n1-c1ccc(Br)cc1 754000 ZZFLSTMPZYHXRU-UHFFFAOYSA-N 383.270 4.877 0 50 GJAA CCOc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)cc1OCC 952721 RCOMTILXFLLAAY-GOSISDBHSA-N 395.484 4.620 0 50 GJAA CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 2519832 KTYGBVWDYRYTSS-UHFFFAOYSA-N 382.456 4.821 0 50 GJAA in-vitro CCOc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c(=O)oc12 2743899 OENDYDNHGCSHGM-UHFFFAOYSA-N 395.308 4.602 0 50 GJAA CCOc1ccccc1-c1cc(C(=O)n2cccn2)c2cc(Cl)ccc2n1 2867883 OIKCBDGSMCCGIE-UHFFFAOYSA-N 377.831 4.839 0 50 GJAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C2CCSCC2)C1 11841966 QSVQJYYVHTXKMX-HNNXBMFYSA-N 396.984 4.675 0 50 GJAA CC(C)(C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 12049053 YAKHRZCRSBFYJR-UHFFFAOYSA-N 392.971 4.855 0 50 GJAA COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C(C)(C)C)ccc1O 17077460 ALZLFFQZZLYQDI-UHFFFAOYSA-N 378.519 4.655 0 50 GJAA Cc1sc2ccccc2c1-c1c[nH]c([C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 20613888 OPPXRFHFJXFTPF-OAHLLOKOSA-N 388.496 4.511 0 50 GJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@@H](CO)C1 71748073 YRAXWKVFTDGSSP-GOSISDBHSA-N 378.472 4.647 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 95505849 VOTARRBAKPDZIN-INIZCTEOSA-N 379.426 4.722 0 50 GJAA Cc1ccc(F)c(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)c1Cl 95525607 HZBOZVOULDRWIA-UHFFFAOYSA-N 389.902 4.804 0 50 GJAA Cc1cc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)ccc1F 169759787 VPVHSFGKFUKVGH-LJQANCHMSA-N 385.826 4.508 0 50 GJAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 170623593 REOSXWZJEMAECT-UHFFFAOYSA-N 391.452 4.639 0 50 GJAA CC(=O)N1CCC(CCC(=O)N2CC3(CCCC3)c3cccc(Cl)c32)CC1 192231713 VLMQZSCFHYZWOL-UHFFFAOYSA-N 388.939 4.537 0 50 GJAA COc1ccc(-c2ocnc2C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 288711644 LBEOUJUAVUSCCW-OAHLLOKOSA-N 394.393 4.545 0 50 GJAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C[C@@H]2C(=O)O)cc1C 1857798469 ICMZTHGENFJPMO-MOPGFXCFSA-N 376.456 4.825 0 50 GJAA C[C@@H](c1ccc(Cl)cn1)N(C)C(=O)NCc1ccc(OC(F)(F)F)cc1 1875358144 LBLJANQZSACEHP-NSHDSACASA-N 387.789 4.536 0 50 GJAA CN(C)c1ccc(CCCNC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 2325733084 RBPJUQMDFBUKAD-UHFFFAOYSA-N 390.487 4.694 0 50 GJAA O=C(CCCC(=O)Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 943151 LMWFQVBAMJVETP-UHFFFAOYSA-N 396.497 4.654 0 50 GJAA O=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(Cl)cc1 1007584 CUKDCLKZAWNMSH-UUASQNMZSA-N 394.235 4.963 0 50 GJAA O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccs1 1186259 YVARGRCTOPFTAT-UHFFFAOYSA-N 397.456 4.822 0 50 GJAA C[C@@H](NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1 2485410 SYSNGQRLGPAVBG-CQSZACIVSA-N 392.409 4.825 0 50 GJAA CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1 2868359 MVAPFNCEPCNHIN-UHFFFAOYSA-N 382.423 4.508 0 50 GJAA Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)NC2CCCCC2)cc1 4964759 AOGWELPDRSGJSE-QNGOZBTKSA-N 396.918 4.868 0 50 GJAA O=C(CCc1nnc(-c2ccccc2)o1)NCC1(c2ccccc2)CCCCC1 11760596 RAGWTGRHMWWKKT-UHFFFAOYSA-N 389.499 4.688 0 50 GJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cncs2)C1 12458743 QAGJNLMQYBLLNK-KRWDZBQOSA-N 392.480 4.671 0 50 GJAA Cc1nn2c(ncc3c(=O)n(-c4ccccc4)ccc32)c1-c1cccc(Cl)c1 19962554 CNGPPFIPDWZBTN-UHFFFAOYSA-N 386.842 4.662 0 50 GJAA CN(CCc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 20782789 HVIBICKBYQDNBC-UHFFFAOYSA-N 383.495 4.924 0 50 GJAA Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1 52688939 ZEJWDKAZULRTTN-UHFFFAOYSA-N 396.494 4.613 0 50 GJAA O=C(c1cc2ccccc2cn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67756196 WSLPEMYVYGYVTI-IBGZPJMESA-N 387.266 4.755 0 50 GJAA COc1ccc(-n2cc(-c3nc4ncccc4[nH]3)c(-c3cccc(F)c3)n2)cc1 72149425 BXCGTIZNWVNNFS-UHFFFAOYSA-N 385.402 4.625 0 50 GJAA CC(=O)Nc1ccc(NCc2csc([C@H]3CCCO3)n2)c(C(F)(F)F)c1 134805907 UWZNTOIKVRPRTH-OAHLLOKOSA-N 385.411 4.584 0 50 GJAA CC(C)n1cnnc1[C@@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 136057043 XUNCILUTABRLGH-MRXNPFEDSA-N 385.899 4.547 0 50 GJAA CC(C)(CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccs1 170626749 CQAZYYSFQOKYNX-UHFFFAOYSA-N 395.406 4.525 0 50 GJAA C[S@](=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F 173227372 YKKCKAYDHVIZDQ-FLXNLOQFSA-N 386.275 4.612 0 50 GJAA COc1ccccc1C1(CNC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)CCC1 185213791 NWPOXKNOXACJCF-GOSISDBHSA-N 399.560 4.601 0 50 GJAA Cc1c(NC(=O)Nc2ncc(C3CCCCC3)s2)cnn1C1CCOCC1 296769904 JKBMKPOQNKMVCO-UHFFFAOYSA-N 389.525 4.691 0 50 GJAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 299781991 PDAUJMDGZULBRW-FQEVSTJZSA-N 382.460 4.666 0 50 GJAA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(-c2ccsn2)n1 1875331823 WICWQGUPCVYZCR-ZETCQYMHSA-N 386.658 4.749 0 50 GJAA O=C(Cc1c[nH]c2ccc(F)cc12)OCc1ccc(Oc2cccnc2)cc1 2325731703 VILDOCOCUDLMBN-UHFFFAOYSA-N 376.387 4.780 0 50 GJAA CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1nccc2cccnc12 2325822815 QKZJLXMDXAMPMK-UHFFFAOYSA-N 389.330 4.895 0 50 GJAA O=C(Cc1ccc2oc3ccccc3c2c1)NC[C@H](O)c1c(F)cccc1Cl 2325862380 RRUBLNMKKWKOEK-SFHVURJKSA-N 397.833 4.771 0 50 GJAA COc1cccc(C(=O)Nc2ccc(OCC(=O)c3ccc(C)cc3)cc2)c1 993078 ZLLBRVMXNUWYEV-UHFFFAOYSA-N 375.424 4.518 0 50 GJAA Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCCCC2)cc1 1052926 QBDAAMZDFCFCPJ-UHFFFAOYSA-N 388.514 4.535 0 50 GJAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 1092490 OACNFLTXWBKKIS-AYIBLLACSA-N 393.486 4.956 0 50 GJAA biogenic COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2[nH]1 1153913 URMMRJMFXLKFQI-CQSZACIVSA-N 395.528 4.983 0 50 GJAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(C/C(C)=C/c2ccco2)CC1 12590100 QLPKPNFWRSHAFY-XDJHFCHBSA-N 397.515 4.580 0 50 GJAA Fc1ccccc1OC1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 12750710 HRJRPVYHYUZJAE-UHFFFAOYSA-N 387.842 4.573 0 50 GJAA O=C(c1ccc(Cl)s1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 14955967 WPZRCONBYRHPKA-FQEVSTJZSA-N 392.927 4.669 0 50 GJAA Cc1oc(-c2cccc(F)c2)nc1CN(CCO)CC12CC3CC(CC(C3)C1)C2 15079334 PWBXNKIRBODVLC-UHFFFAOYSA-N 398.522 4.800 0 50 GJAA OCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)o1 20600948 AMPXKAQAWOPXBQ-QHCPKHFHSA-N 376.431 4.540 0 50 GJAA CCCCOC(=O)c1cc(N2CCCC2)c2cc(Br)ccc2n1 21985670 JUCIYYSFDJBPQR-UHFFFAOYSA-N 377.282 4.554 0 50 GJAA Nc1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccn1 170617569 QKGZWASMBNSYOK-UHFFFAOYSA-N 393.903 4.857 0 50 GJAA Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)cc1Cl 1776004390 QQYUASOWOOINPV-UHFFFAOYSA-N 382.268 4.926 0 50 GJAA COc1cc(NC(=O)/C=C/c2ccc(Br)cc2)c(OC)cc1Cl 657348 RKZQBFHUOQLGNY-VMPITWQZSA-N 396.668 4.772 0 50 GJAA O=c1oc2ccc(Cl)cc2cc1-c1ccc(I)cc1 838876 HKQOLVGIKAIJLC-UHFFFAOYSA-N 382.584 4.718 0 50 GJAA COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(N)ncnc23)cc1 920564 UBVKHPDOPUBORV-UHFFFAOYSA-N 376.363 4.516 0 50 GJAA Cc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CC[C@H](C)C3 1104469 JQQWZRBWGSQXHW-JTQLQIEISA-N 389.318 4.643 0 50 GJAA CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 1172842 KNVHMGOAMBXYLG-UHFFFAOYSA-N 380.469 4.580 0 50 GJAA O=C(O)Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1 1178218 VDBUBHNBPHODII-UHFFFAOYSA-N 389.274 4.943 0 50 GJAA O=C(Nc1cccc(Cl)c1Cl)c1ccc(I)cc1 1179082 CMWHJTORFUFXRK-UHFFFAOYSA-N 392.023 4.850 0 50 GJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 2760179 DUEWNQHYXCWBTO-LJQANCHMSA-N 383.879 4.689 0 50 GJAA S=C(Nc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1Cl 2852473 YWROXECVNLSWLF-UHFFFAOYSA-N 399.697 4.683 0 50 GJAA COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)C 2861113 FTHZHVPIABITFX-UHFFFAOYSA-N 399.878 4.758 0 50 GJAA O=C(COc1cccc(Br)c1)Nc1nc(-c2ccccc2)cs1 2973187 DVTKMUDIYCOBNH-UHFFFAOYSA-N 389.274 4.590 0 50 GJAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)cc3C)C2=O)c(C)c1 4043346 UHPHJJQZTIKPHU-UHFFFAOYSA-N 375.255 4.701 0 50 GJAA CCCC[C@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 12327460 RJHOQFTVYAZRKM-KRWDZBQOSA-N 398.532 4.513 0 50 GJAA COc1ccccc1OC1CCN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 15063206 CYYRYFOSUMWQEG-UHFFFAOYSA-N 391.515 4.746 0 50 GJAA Cc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4cnn(C)c4C)nc32)cc1 20605759 DMSJMOUQWOIFDS-UHFFFAOYSA-N 399.420 4.824 0 50 GJAA Cn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 20615434 NWFRSRCMCVAGHK-UHFFFAOYSA-N 388.226 4.902 0 50 GJAA c1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 20782632 KNMLHECTCQQMJC-FQEVSTJZSA-N 383.499 4.642 0 50 GJAA CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccc(C)cc3)o2)C1 95510197 GIMOAXLTZIKQQC-HXUWFJFHSA-N 391.515 4.810 0 50 GJAA CC(C)c1nc([C@H]2CCCN2C(=O)N[C@@H](c2ccccc2)C2CCCC2)no1 177427924 WSAJREVJKFFVBD-MOPGFXCFSA-N 382.508 4.971 0 50 GJAA COc1cc2c(cc1NC(=O)N1CCC[C@@H]1c1ccn[nH]1)oc1ccccc12 225838102 JZPBLJLIGXAYGZ-QGZVFWFLSA-N 376.416 4.687 0 50 GJAA O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239338711 LAIKUDSZHFFLBK-CYRTVHNOSA-N 376.686 5.274 0 50 GJAA CNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)cc1 435084176 AYBIDZFZLAVEAB-NSHDSACASA-N 392.286 4.504 0 50 GJAA CN(c1ccccc1)c1nnc(-c2cc(C3CC3)[nH]n2)n1CCc1ccccc1 1875338290 RVPMNQQJLMIXPE-UHFFFAOYSA-N 384.487 4.556 0 50 GJAA COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc(-c2ccccc2Cl)cc1 2325825497 RVDZMMWOYWQECN-QRWLVFNGSA-N 385.891 4.665 0 50 GJAA COc1ccc2c(C)c(C(=O)N3CCC(OC)(c4ccccc4)CC3)oc2c1 2356135286 XHTNOQUIPKIMPK-UHFFFAOYSA-N 379.456 4.528 0 50 GJAA Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)c1 629957 SQDXESGTTJTEMK-CBGCIVQGSA-N 379.459 4.782 0 50 GJAA COc1ccc([C@H](NC(=O)C(C)C)c2c(OC(C)=O)ccc3ccccc23)cc1 855823 DTBUQHMWBIFJMN-QHCPKHFHSA-N 391.467 4.635 0 50 GJAA CCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc2c1 939981 MZEYPMNMJGKRTC-UHFFFAOYSA-N 394.345 4.895 0 50 GJAA biogenic Cc1cccc(COc2ccc(/C=C3\N=C(c4cccs4)OC3=O)cc2)c1 1194758 XMOOTDHTCAZDGX-UYRXBGFRSA-N 375.449 4.980 0 50 GJAA COc1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1 2850663 XQNRSQRLICPWJH-UHFFFAOYSA-N 390.650 4.682 0 50 GJAA O=C(CCC1CCN(C2CSCCSC2)CC1)Nc1ccccc1Cl 11872970 PCKODLOEANHOLR-UHFFFAOYSA-N 399.025 4.619 0 50 GJAA COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)c1ccoc1)C2 12280102 JQKIEQAQZXQUJQ-UHFFFAOYSA-N 383.831 4.643 0 50 GJAA OCCC[C@@H]1CCCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12445472 YBRRFTAXYGCSRG-QHCPKHFHSA-N 375.516 4.871 0 50 GJAA CCCCN(Cc1ccccc1)[C@H]1CCC(=O)N(Cc2cccc(OC)c2)CC1 14988067 NOENSHYGRJAVME-QHCPKHFHSA-N 394.559 4.879 0 50 GJAA N=c1oc2c(O)cccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 17078204 ROEOATZNYXAYPX-UHFFFAOYSA-N 382.725 4.542 0 50 GJAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccc(O)c(Cl)c2)C1 23232304 BCJWUWBUXWUPNS-HXUWFJFHSA-N 380.315 4.516 0 50 GJAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@H]1c1cccs1 67446792 KOCJWGXJGUIRKH-AWEZNQCLSA-N 392.839 4.695 0 50 GJAA O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[C@@H]1c1c(F)cccc1F 170628976 IXJQBDOWBMYQSL-STQMWFEESA-N 390.773 4.515 0 50 GJAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170638229 LNXHTOWHCPROHB-XQQFMLRXSA-N 396.331 4.659 0 50 GJAA CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 184377699 NVECHVUZKQVFNO-NRFANRHFSA-N 386.879 4.791 0 50 GJAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cc(=O)oc2cc(O)ccc12 1473305404 GLNLOCQLFPZHLP-LLVKDONJSA-N 390.266 4.925 0 50 GJAA C[C@@H](c1ccc(Br)cc1)c1noc(-c2ccc3c(c2)CCC[C@H]3N)n1 2325821992 URQMVRBVQVJLQM-KPZWWZAWSA-N 398.304 4.987 0 50 GJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](c1ccccc1Br)C(C)C 2325841753 FNWDLJFAMDDVAY-DYESRHJHSA-N 390.365 4.895 0 50 GJAA COc1cc(CC(=O)O)ccc1OCc1ccc(OCC(C)C)c(Cl)c1 623207 KZJXCRKYYZZIST-UHFFFAOYSA-N 378.852 4.590 0 50 GJAA COC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3)cc12 623683 OSYKUTAOBAOWRQ-UHFFFAOYSA-N 375.218 4.869 0 50 GJAA biogenic Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3n2)cc1 815327 JAMSKUGCOKECMO-UHFFFAOYSA-N 384.430 4.514 0 50 GJAA Cc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(C)c1 1102090 SKOSNNUKRBUZHB-UHFFFAOYSA-N 379.485 4.575 0 50 GJAA COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br 1138116 AWDHKTRQPYBPOL-UHFFFAOYSA-N 390.277 4.597 0 50 GJAA aggregator CCOC(=O)c1cnc(SC)nc1Sc1cc(Cl)ccc1Cl 1398542 SCDMKUOHAGORJT-UHFFFAOYSA-N 375.302 4.833 0 50 GJAA aggregator O=C1[C@@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc12 2268093 OTPTYRJAUBCJOA-ICSRJNTNSA-N 378.428 4.562 0 50 GJAA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3ccncc3)s2)cc1 2503273 AKDFTDWEOZBABP-DLBZAZTESA-N 378.501 4.640 0 50 GJAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 2855454 RXFXGQBLNZGLLJ-UHFFFAOYSA-N 380.831 4.853 0 50 GJAA COc1cccc(OC)c1OCCCOc1cc(C)c(C)cc1Br 2985392 PWXPOWJFADZPKF-UHFFFAOYSA-N 395.293 4.931 0 50 GJAA CC(=O)Nc1ccccc1C(=O)OCc1ccc(-c2cnc3ccccc3n2)cc1 3017664 LOKRDWKXIMMNOX-UHFFFAOYSA-N 397.434 4.612 0 50 GJAA Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cc1 12570461 JTHMHMUSFBLUQE-FQEVSTJZSA-N 384.951 4.675 0 50 GJAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)cc1 13595008 DJGGCVILZMBSLH-HNNXBMFYSA-N 396.487 4.764 0 50 GJAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1cccc(Cl)c1 22458433 AYJSVWJVSXMATA-UHFFFAOYSA-N 376.803 4.704 0 50 GJAA O=C(CCn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)N1CCCC1 67725791 YUIUVJVSEUHUJU-UHFFFAOYSA-N 384.483 4.711 0 50 GJAA Cc1nnc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3ccccn3)c2)s1 96133700 NJURGWLFDBRQIJ-GOSISDBHSA-N 379.489 4.668 0 50 GJAA Cc1ccc(-c2c(C)sc3nc(Cc4ccc5cn[nH]c5c4)[nH]c(=O)c23)cc1 170616536 BSXCTIWSAYSMTJ-UHFFFAOYSA-N 386.480 4.736 0 50 GJAA O=C(c1cc(Cc2cccc3ccccc23)no1)N1CCC[C@H]1c1nccs1 299756568 HJALJNPMIBIKTR-IBGZPJMESA-N 389.480 4.852 0 50 GJAA COc1ccc(CCN(Cc2ccccc2F)C(=O)c2cc(C(C)C)no2)cc1 952975667 LKYIBKUVBNKBHF-UHFFFAOYSA-N 396.462 4.831 0 50 GJAA COc1ccccc1Oc1ccc(NC(=O)c2cccc3ncsc23)cn1 1940193592 HLLPCAZWGCIPOI-UHFFFAOYSA-N 377.425 4.745 0 50 GJAA Cc1ccc(Cc2ccccc2C(=O)N2CCC(OC(F)(F)F)CC2)cc1F 2356141004 UTOUUXWIZGKCJV-UHFFFAOYSA-N 395.396 4.866 0 50 GJAA COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 943579 LFBPXCRWJWMIKV-UHFFFAOYSA-N 375.852 4.685 0 50 GJAA CCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)cc1 947615 VLVXOKCXNKAZBW-UHFFFAOYSA-N 394.780 4.704 0 50 GJAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CSC2CCCCC2)cc1 1094723 QETRFDHRICKGLD-UHFFFAOYSA-N 383.513 4.911 0 50 GJAA CCCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 1123411 CAGSRXDAWIPFRA-IBGZPJMESA-N 376.378 4.607 0 50 GJAA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 2080113 YANAHGKASIYAEB-UHFFFAOYSA-N 384.259 4.808 0 50 GJAA CCOc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)c1 2393790 ISLLLNGYULRDCD-UHFFFAOYSA-N 395.315 4.657 0 50 GJAA O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Cl 2636050 BPBNUIQXZNWOGP-UHFFFAOYSA-N 386.178 4.693 0 50 GJAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCCCC2 2841883 IVEMBEUESURQIL-CQSZACIVSA-N 387.501 4.600 0 50 GJAA O=C(CC[C@@H]1CCCN(CCc2ccccc2)C1)NCc1ccccc1Cl 12585481 UUWOWVZMDXOMAT-FQEVSTJZSA-N 384.951 4.691 0 50 GJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 12612589 KCYVVLAXGWXYOT-KRWDZBQOSA-N 395.890 4.793 0 50 GJAA COc1ccc(F)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 14986008 NWZSXSZTXQKWJY-GOSISDBHSA-N 379.479 4.912 0 50 GJAA CCNc1ncnc2sc(C(=O)N3CCC[C@H](c4ccccc4)CC3)c(C)c12 14986944 XCBXFRAXJUUXNH-KRWDZBQOSA-N 394.544 4.841 0 50 GJAA CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 54991742 NXOPRQUIKXFMJJ-IBGZPJMESA-N 390.449 4.576 0 50 GJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2ccccc2F)CCO3)s1 67540954 LGFUPJVMZSPTPA-UHFFFAOYSA-N 383.444 4.603 0 50 GJAA CCc1ocnc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71759830 WPGBXTBLTHTTQR-AWEZNQCLSA-N 380.410 4.741 0 50 GJAA CCn1c([C@@H](C)NC(=O)c2cccc(-c3ccccn3)c2C)nc2ccccc21 122351352 UEYIJBYQYKERSW-QGZVFWFLSA-N 384.483 4.918 0 50 GJAA Cn1ccc2cccc(NC(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c21 190051983 IHOQYSXSLKTDRQ-OAQYLSRUSA-N 397.906 4.809 0 50 GJAA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 245238028 CYSQSVAGOLJPOX-NEWJYFPISA-N 395.458 4.635 0 50 GJAA O=C(NC1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1)Oc1ccccc1 261361074 DFYOCPAHXQQWON-UHFFFAOYSA-N 396.384 4.598 0 50 GJAA CCCC(=O)N(c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1 299817131 FNVSEQCPMXWQKG-UHFFFAOYSA-N 380.532 4.535 0 50 GJAA in-vitro O=C(O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 846234512 SAIJLCHVIBYYHR-OALUTQOASA-N 394.298 4.565 0 50 GJAA CC(C)Cn1ncc(C(=O)N(C(C)C)[C@H]2CCCc3cccnc32)c1C(F)F 952845009 DUGYLXZCLJFGRB-KRWDZBQOSA-N 390.478 4.800 0 50 GJAA C[C@@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)Nc1ccccc1 1456202660 SWHFVCFGVRASDS-CQSZACIVSA-N 396.393 4.514 0 50 GJAA CCCOc1c(Cl)cc(C(=O)OC[C@@H](C)CC2CCOCC2)cc1OC 1875357352 CXOXEIZLMQEVSQ-AWEZNQCLSA-N 384.900 4.747 0 50 GJAA CC(C)N1CCCC[C@@H]1Cn1c(=O)n([C@@H](C)c2ccccc2)c2ccccc21 1875357495 JPVGFPMLFXGREW-PZJWPPBQSA-N 377.532 4.675 0 50 GJAA Cc1csc(NC(=O)N2Cc3cc(Br)ccc3C3CC2C3)n1 2325827858 SASOQSRLKITYHB-UHFFFAOYSA-N 378.295 4.508 0 50 GJAA COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 672727 IMBHSPNBCJMAOM-IAGOWNOFSA-N 383.513 4.936 0 50 GJAA C[C@H](NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 818532 UUJXPTHUSLPCJX-INIZCTEOSA-N 388.492 4.811 0 50 GJAA COc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1OC 1185367 STYCWVFOKWYAMK-UHFFFAOYSA-N 390.650 4.682 0 50 GJAA O=C1O[C@@H](c2ccccc2)[C@@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 1422994 COONSQWVSRRGCK-GMAHTHKFSA-N 393.870 4.921 0 50 GJAA Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1 2874606 BMUWSFTUTHJQBY-UHFFFAOYSA-N 389.411 4.631 0 50 GJAA CCOc1ccc(-c2cc(C(=O)N(C)C)c3cc(Br)ccc3n2)cc1 6656979 NMRPXEPEUCTXIF-UHFFFAOYSA-N 399.288 4.765 0 50 GJAA COc1ccccc1CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 11950696 JWSSWLJSXKMGEW-HXUWFJFHSA-N 379.479 4.823 0 50 GJAA CSc1ccc(C(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 12468176 UMXOAYUMEXQGTK-QHCPKHFHSA-N 383.557 4.646 0 50 GJAA COc1cccc(-c2nc3ccc(C(=O)N[C@H](C)CCCC(C)(C)O)cc3o2)c1 14953818 IIPNCQYTYBTENN-OAHLLOKOSA-N 396.487 4.563 0 50 GJAA COc1ccc(-n2cc(CNCCCSC)c(-c3cccc(F)c3)n2)cc1 19739866 JJOHIMNYJQCLFD-UHFFFAOYSA-N 385.508 4.530 0 50 GJAA CCOc1ccc(C[C@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OCC 20255282 VQAZFFDEYWLNPR-HXUWFJFHSA-N 399.531 4.711 0 50 GJAA Cn1cc(CN2CCC[C@H](C(=O)c3cccs3)C2)c(-c2cccc(Cl)c2)n1 55576273 HEWQDFAAGKMZNX-INIZCTEOSA-N 399.947 4.897 0 50 GJAA CC(=O)O[C@H](COC(c1ccccc1)c1ccccc1)CN1[C@H](C)CCC[C@H]1C 96027809 FJYUFFBYTLIJHR-REHUZNOOSA-N 395.543 4.987 0 50 GJAA O=C1[C@@H]([C@H]2NCCc3c2[nH]c2ccccc32)c2ccccc2N1c1ccccc1 96028135 FHGRMQONXLFYLC-ISKFKSNPSA-N 379.463 4.817 0 50 GJAA CCOC[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 115217098 VPIWDYAFEOWULH-AWEZNQCLSA-N 397.441 4.525 0 50 GJAA CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1ccc(C)cc1 129757350 MYOQVOHULGRUQT-GOSISDBHSA-N 391.475 4.598 0 50 GJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1nnc(-c2ccccc2)o1 130169260 KZXUNJWBPOCSMU-UHFFFAOYSA-N 384.391 4.922 0 50 GJAA CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12 136229057 FQGLDGKVKDPVLO-UHFFFAOYSA-N 382.427 4.656 0 50 GJAA in-vitro Cn1nc(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1-c1cccs1 1875391865 AXRSQXLZZHQKCH-UHFFFAOYSA-N 392.450 4.639 0 50 GJAA COc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1OC 628794 SWAQRPVESYNOQG-UHFFFAOYSA-N 396.493 4.794 0 50 GJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(NC(=O)c2ccco2)c1 802341 RXCYDDYTPQLPDZ-UHFFFAOYSA-N 391.210 4.797 0 50 GJAA O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)on1 815021 OLFHLDLXDKAWQD-UHFFFAOYSA-N 379.160 4.635 0 50 GJAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)NCc1ccccc1 904213 XDEYRTDLMNQNBY-UHFFFAOYSA-N 391.521 4.767 0 50 GJAA COc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 1109016 ASZRXMAQFKBAKA-UHFFFAOYSA-N 395.842 4.863 0 50 GJAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(O)c1 1179731 XRZMMYNOYGYRRA-QPJJXVBHSA-N 381.284 4.534 0 50 GJAA Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1cc2cc(Cl)ccc2oc1=O 1424345 PULOOTRZXOKCHZ-UHFFFAOYSA-N 394.858 4.517 0 50 GJAA Fc1cc(Cl)ccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 1454302 WLZUIPNIRBTWMT-UHFFFAOYSA-N 384.307 4.652 0 50 GJAA CC(C)(C)c1cc(NC[C@H]2CCCO2)n2ncc(-c3ccc(Cl)cc3)c2n1 2443973 HSTQLXGROISXQO-MRXNPFEDSA-N 384.911 4.938 0 50 GJAA O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Cl)c1Cl 2869540 BDQNONPYFPNJBU-UHFFFAOYSA-N 379.272 4.509 0 50 GJAA Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5ccccc5n4)nc3C2)cc1 4487077 FIVFRQSTZHYZFW-KRWDZBQOSA-N 395.466 4.693 0 50 GJAA CCOc1cc2c(cc1OCC)[C@@H](c1c(OC)ccc3ccccc13)NCC2 4577639 RYLYYGAHLZABIT-DEOSSOPVSA-N 377.484 4.881 0 50 GJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)c1 4826602 NZRVHZMXNOTCFV-UHFFFAOYSA-N 394.496 4.943 0 50 GJAA C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1)c1ccccc1 6700649 HMNTUKOICIYDGZ-HTAFUYNTSA-N 378.516 4.548 0 50 GJAA CC(C)N(Cc1cnn(C)c1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12297198 WCEPCTHBOMZXIV-NRFANRHFSA-N 379.479 4.518 0 50 GJAA Cc1ccc(-n2cc(CNCC3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 12581262 BKPINCJHILXWIY-UHFFFAOYSA-N 379.479 4.503 0 50 GJAA COc1cccc(CNCC[C@H]2CCC(=O)N2[C@H](C)c2ccc(Cl)cc2)c1 14884104 MQNXLUZZVRFOQD-OXQOHEQNSA-N 386.923 4.581 0 50 GJAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)c1 19745797 TXRWLQWWUZKPPE-SANMLTNESA-N 396.490 4.956 0 50 GJAA CCN(CC)CCn1c(=N)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc21 20069491 JXGINDMFWBKQAY-UHFFFAOYSA-N 378.564 4.610 0 50 GJAA Clc1cccc(N2CCN([C@H]3CCCN(CCCc4ccccc4)C3)CC2)c1 20907921 ANPZQPDFQSWOBU-DEOSSOPVSA-N 397.994 4.559 0 50 GJAA Cc1nc2sccn2c1CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 55242868 UALLQIILTAZTKX-SFHVURJKSA-N 397.544 4.586 0 50 GJAA COc1cnc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cc1O 72170086 NOZYJIJQTUTRGG-HNNXBMFYSA-N 394.437 4.659 0 50 GJAA CCc1cccc2c(C3CCN(C(=O)N[C@@H](C)c4ccncc4)CC3)c[nH]c12 123190746 TYMXDOXARHQYCU-INIZCTEOSA-N 376.504 4.776 0 50 GJAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1ccc(C)cc1 129757123 MYOQVOHULGRUQT-SFHVURJKSA-N 391.475 4.598 0 50 GJAA CC(C)c1noc(Cc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)n1 170595900 VKWQOWIVTUQYJI-UHFFFAOYSA-N 387.386 4.638 0 50 GJAA CC(F)(F)c1cccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 186993734 XJVULOYIMOTVLD-KRWDZBQOSA-N 388.414 4.939 0 50 GJAA O=C(c1ccc(CN2CCCCC2)cc1)N(CCc1cccc(F)c1)C1CC1 225387638 LQNSZMXVLOTFKX-UHFFFAOYSA-N 380.507 4.659 0 50 GJAA COc1ccc(-c2noc(CCCCCN[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)n2)cc1 248176642 ASEXFLDCJZRTEU-ZQOQTTQJSA-N 395.547 4.872 0 50 GJAA O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(C2CCC2)cc1 252490535 KWNYHXHQTXQCTH-UHFFFAOYSA-N 385.467 4.531 0 50 GJAA Cc1c(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cnn1-c1ccccc1 252498639 RGOCRFBPIYOVAP-MRXNPFEDSA-N 396.441 4.870 0 50 GJAA Cc1coc(-c2cc(N[C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)ccc2C)n1 777702916 BXXNSTSTTQTQCR-AUSIDOKSSA-N 391.515 4.660 0 50 GJAA COC[C@@H]1CCCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 824370223 NBYBFUZXVMGJFY-MRXNPFEDSA-N 377.887 4.917 0 50 GJAA COc1ccc(NC2(C(=O)N(C)[C@H](C)c3ccccc3OC)CCCC2)cc1 1506396802 JFTRWLWZAWPNMK-QGZVFWFLSA-N 382.504 4.648 0 50 GJAA CSc1ccc2nc(N3CCC[C@@H](C(=O)c4ccccn4)C3)cc(C)c2c1 1506423428 WFYLZNAKNVUUED-MRXNPFEDSA-N 377.513 4.759 0 50 GJAA CC(C)c1nc(O)ccc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 2100482517 FMLDEVZXUAJIAS-RBUKOAKNSA-N 382.504 4.539 0 50 GJAA COc1ccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)cc1 633483 SOTPWKNSMQATNP-UHFFFAOYSA-N 392.455 4.826 0 50 GJAA O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1ccco1 823297 PTNDQCPAXLWPCH-UHFFFAOYSA-N 385.217 4.547 0 50 GJAA COc1ccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC 1041890 MOAOUKCWTGNVMC-UHFFFAOYSA-N 385.316 4.540 0 50 GJAA O=C(c1ccc(-c2ccccc2)cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 1212473 ORMZEFLKTWGZBG-PXNSSMCTSA-N 388.389 4.607 0 50 GJAA CCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC)cc1)Nc1ccccc1-2 2187940 UDPHARPPLOEEPT-IBGZPJMESA-N 394.500 4.943 0 50 GJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 2782069 RNOYFDVLUZKGFX-ZDUSSCGKSA-N 381.369 4.886 0 50 GJAA COc1ccc(-c2c(C)nn3c(NCc4ccccc4)cc(C)nc23)cc1OC 5058895 DKLSLBVMZJPYMK-UHFFFAOYSA-N 388.471 4.642 0 50 GJAA Cc1ccccc1C[C@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1 12075165 BJCHDZSDZJKGBL-OAQYLSRUSA-N 377.450 4.831 0 50 GJAA Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C2CCCCC2)CC1 12594955 OZEUHWAUFYBFMP-UHFFFAOYSA-N 381.524 4.805 0 50 GJAA CCCc1ccc2oc(C(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)c(C)c2c1 12756061 JVCQQVRZQAACPW-LJQANCHMSA-N 390.483 4.824 0 50 GJAA CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)cc1 12836124 IDYWNODKAQVUCR-OAQYLSRUSA-N 386.495 4.893 0 50 GJAA O=C(NC1CCC1)c1cc(-c2cnc(C3CC3)nc2)nc2ccc(Cl)cc12 19739841 HAIZCRSDJGWIPQ-UHFFFAOYSA-N 378.863 4.505 0 50 GJAA Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2ccccc2F)C1 20918059 HUZZHEAKJCDQIX-IBGZPJMESA-N 396.535 4.626 0 50 GJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 95511631 UNDPYNHBQRDBPT-HNNXBMFYSA-N 384.911 4.838 0 50 GJAA CCc1ccc(-c2csc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3CC[C@H]4C3=C(C)C)n2)cc1 101705138 TWJGMHCAJOYFQT-FVCZOJIISA-N 392.524 4.854 0 50 GJAA O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1csc(-c2ccccc2)n1 170593178 CPMQMKKQNYXNHE-QUCCMNQESA-N 378.497 4.708 0 50 GJAA O=C(c1cncn1-c1ccc(F)cc1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 328589496 NIXFKGWCBYHECZ-ZHPFXUNLSA-N 375.447 4.562 0 50 GJAA Cc1nn(C)c(C)c1CCCNc1ccnc2c(Br)cc(F)cc12 2325824657 LSTOJAMIBGZAOT-UHFFFAOYSA-N 391.288 4.531 0 50 GJAA CC(=O)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 1137767 YUHDGWLUJMGHSP-UHFFFAOYSA-N 385.423 4.716 0 50 GJAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1156851 KNAYNAFXRYBNTA-JTQLQIEISA-N 383.662 4.638 0 50 GJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 1177539 BUYOXKPQTZYUGU-UHFFFAOYSA-N 377.513 4.813 0 50 GJAA COc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1218770 ZUPNYPHPROSMRO-UHFFFAOYSA-N 389.274 4.834 0 50 GJAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2545944 AGSTVRGPOSEJQQ-QHCPKHFHSA-N 399.446 4.620 0 50 GJAA in-vitro NC(=O)[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 2559840 HREGLHXMYYAVSJ-LJQANCHMSA-N 384.262 4.842 0 50 GJAA Cc1ccc(C(=O)O)cc1NC(=S)Nc1ccc(Br)cc1Cl 2858196 WZYHTVHYMPYTDL-UHFFFAOYSA-N 399.697 4.918 0 50 GJAA CCN(CC)c1nc(Nc2ccc(O)cc2)nc(Nc2cc(C)ccc2C)n1 3878503 HZBAZGNQDRAXGZ-UHFFFAOYSA-N 378.480 4.527 0 50 GJAA O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccccc2)no1 4866651 AWGZVDRGOUCAFI-UHFFFAOYSA-N 383.451 4.575 0 50 GJAA COc1ccccc1N/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 5647296 SRWUPPJLOIAYDT-HMMYKYKNSA-N 384.435 4.644 0 50 GJAA COc1cc(Cl)ccc1[C@@H]1c2[nH]c3cccc(F)c3c2C2(CC2)CN1C(C)=O 38239072 ZBQMTQGDBFZUBG-OAQYLSRUSA-N 398.865 4.952 0 50 GJAA COc1ccc2cc(CN3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1 72411592 LCTOLHUJFOLQDW-FQEVSTJZSA-N 395.934 4.700 0 50 GJAA COCCOc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1 127428318 KOMNZKSSHSKXNC-UHFFFAOYSA-N 376.428 4.726 0 50 GJAA CCN1c2cc(C(=O)Nc3ccc(F)c(C)c3)ccc2C(=O)N2CCCCC[C@@H]21 169766436 QBFPKOROSHXTAO-OAQYLSRUSA-N 395.478 4.569 0 50 GJAA CC(C)(C)OC(=O)n1c(Br)cc2cc(Br)ccc21 261494324 UZIRFONLFUFGQD-UHFFFAOYSA-N 375.060 4.950 0 50 GJAA Cc1nc2c(-c3cccc(Br)c3)cnn2c(N)c1-c1ccccc1 334163207 WPRBUJGDXZKBCP-UHFFFAOYSA-N 379.261 4.716 0 50 GJAA COC[C@H](NC(=O)c1sccc1-c1ccc(C)cc1)c1cccc(OC)c1 1437453644 OEPHAXLWVLWKLG-FQEVSTJZSA-N 381.497 4.850 0 50 GJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)c2ccco2)cc1 802355 VRFSWWXPKUQVRP-UHFFFAOYSA-N 390.317 4.683 0 50 GJAA CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1 853354 FLDHSBYMGAPQAH-UHFFFAOYSA-N 377.473 4.777 0 50 GJAA COc1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1244090 INKUVBMAPRSNKE-HSZRJFAPSA-N 386.451 4.788 0 50 GJAA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(F)c(Cl)c1 2881941 VDAJLLOSBGQCRX-UHFFFAOYSA-N 386.648 4.876 0 50 GJAA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 2900337 NRRKWKXJJUCXBC-UHFFFAOYSA-N 396.896 4.880 0 50 GJAA Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)cc1 5061738 GKQUXAFMYDQWFB-CPNJWEJPSA-N 380.831 4.651 0 50 GJAA Fc1ccccc1Cn1cc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cn1 6829324 HBZVDSNOWKTAHB-UHFFFAOYSA-N 398.551 4.573 0 50 GJAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)c1 14881804 RMBZIDUMWNXBML-NELJVSICSA-N 398.510 4.575 0 50 GJAA Cn1c(CCc2ccccc2)nnc1SCc1ccc(Br)cc1 17079231 ALQSAULYGHHZLH-UHFFFAOYSA-N 388.334 4.655 0 50 GJAA Fc1ccc(CN(Cc2ccncc2)Cc2ccc(C(F)(F)F)nc2)cc1 55225043 OKSAFXARSPVAIL-UHFFFAOYSA-N 375.369 4.837 0 50 GJAA CCC[C@H]1C[C@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67771227 SGUBTRIUYMZCPM-SUMWQHHRSA-N 378.394 4.945 0 50 GJAA O=C(c1cccc2cccnc12)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67789674 KEVPUJAOYMRJTP-IBGZPJMESA-N 382.467 4.645 0 50 GJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95496752 FJUBETPPFOJTPD-QGZVFWFLSA-N 386.565 4.591 0 50 GJAA O=C(Nc1cc(F)c(Cl)cc1Cl)N1CCC[C@H]1c1nc(C2CC2)no1 96149609 WHBUUGSTUQDTDL-ZDUSSCGKSA-N 385.226 4.762 0 50 GJAA O=C(CC[C@@H]1CCCCO1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 110635482 QGHHBVQGFWVCOR-INIZCTEOSA-N 376.884 4.537 0 50 GJAA CCc1csc([C@@H]2CCCN(C(=O)NCc3cc(C(CC)CC)no3)C2)n1 175903098 GCRIUODKTKRZNI-OAHLLOKOSA-N 390.553 4.686 0 50 GJAA CCN(C(=O)c1sc(NC(=O)C2CC2)cc1C)[C@@H](C)Cc1ccsc1 186373598 RNNOEDCCUYZXIZ-ZDUSSCGKSA-N 376.547 4.560 0 50 GJAA COc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)Cc3ccccc3C)o2)cc1 225564069 YUUUZKMJJNPEOR-SFHVURJKSA-N 392.499 4.681 0 50 GJAA CC(C)CC1=NN2[C@H](c3ccc(Br)cc3)Oc3ccccc3[C@H]2C1 239386656 PVUXWNDCPLTTRY-QUCCMNQESA-N 385.305 5.689 0 50 GJAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(c3cccc4cnccc34)CC1)CO2 1875264038 BBMVVQILJCOVKY-JOCHJYFZSA-N 387.483 4.566 0 50 GJAA Cc1ccc(Oc2ccc(CCNC(=O)c3c[nH]nc3C(F)(F)F)cc2)cc1 2325704987 LBDFAJREFLEYHB-UHFFFAOYSA-N 389.377 4.502 0 50 GJAA O=C(c1ncc(Cc2ccccc2)o1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325820950 HPYXQHLQSZZCRH-UHFFFAOYSA-N 396.874 4.602 0 50 GJAA O=Cc1ncc(Br)cc1OCc1cc(Cl)cc(C(F)(F)F)c1 2325904103 ZYVHZPTVMPWSDQ-UHFFFAOYSA-N 394.574 4.908 0 50 GJAA COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 1205487 JGIMRSSCVQUECU-UHFFFAOYSA-N 392.386 4.660 0 50 GJAA Cc1ccc(-n2cccn2)c(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12583771 RKGGYACQQZAJDN-QGZVFWFLSA-N 389.478 4.665 0 50 GJAA Cc1ccc(-n2cc(CNCCc3cscn3)c(-c3ccc(F)cc3)n2)cc1 12750649 ITWKHNKRPXIABE-UHFFFAOYSA-N 392.503 4.776 0 50 GJAA CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C)cc1 13880988 BDXWNPNDHUJOJY-UNOMPAQXSA-N 383.469 4.639 0 50 GJAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)Cc1ccccc1C)O2 14882029 NILJDKSYLMFNEN-QFIPXVFZSA-N 399.490 4.527 0 50 GJAA COc1cccc2c(C)cc(N3CCc4onc(-c5cccc(F)c5)c4C3)nc12 67879941 SJFAFVCDLYYXLP-UHFFFAOYSA-N 389.430 4.909 0 50 GJAA CCCC[B@@-]1(N2CCCCCC2=O)c2ccccc2NC(C)=[N+]1c1ccccc1 245309031 AAYJHRCOGLQMEG-VWLOTQADSA-N 389.352 4.727 0 50 GJAA Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1NC(=O)N1C[C@H]2CCC[C@H]2C1 246155637 CQQHWAUJOALCHP-CADBVGFASA-N 396.535 4.523 0 50 GJAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 252671996 OVLSDGAQRDYFTL-XMSQKQJNSA-N 392.572 4.548 0 50 GJAA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1C 630037 NSXRYJLOQQRICO-SNDHGLFQSA-N 379.459 4.700 0 50 GJAA O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 755036 WZYXZSRYDHWAAA-NRFANRHFSA-N 380.447 4.737 0 50 GJAA Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1Cl 946286 KAZQTEHMZWHCQJ-UHFFFAOYSA-N 381.646 4.738 0 50 GJAA COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 1126284 XAQOGWMUMAYQIK-RCCKNPSSSA-N 387.435 4.646 0 50 GJAA C[C@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1 1135310 BZKTYZWUZLSIMQ-ZMPKQRIUSA-N 393.486 4.682 0 50 GJAA C[C@@H](CNC(=O)Nc1ccccc1)OC(=O)Nc1ccc(Cl)c(Cl)c1 2167943 ALAHKWKNVOXAEQ-NSHDSACASA-N 382.247 4.752 0 50 GJAA CC(C)(C)c1cc(C(F)(F)F)nc(SCCNC(=O)C2CCCCC2)n1 2807448 ZPDMNDVAWLUIAG-UHFFFAOYSA-N 389.487 4.582 0 50 GJAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1 5441686 FJUCQYUXJZEVIC-IBGZPJMESA-N 379.437 4.717 0 50 GJAA biogenic CN(C[C@H]1CCCCO1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 12057943 CWLWOFGRTUQKCL-HXUWFJFHSA-N 392.499 4.644 0 50 GJAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2oc(C)cc2C)cc1 12058644 KGFILULTHGGJBV-LJQANCHMSA-N 393.487 4.534 0 50 GJAA O=C(C1CCCCC1)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 12244058 UILRVEWHKWVAQF-UHFFFAOYSA-N 384.564 4.623 0 50 GJAA O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc2c(s1)CCCC2 45068031 HURFGVCRSDYIHH-UHFFFAOYSA-N 379.894 4.547 0 50 GJAA O=C(c1c(O)cccc1O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71753154 HVHKKCMKHKQEBQ-OAHLLOKOSA-N 393.405 4.602 0 50 GJAA COCCC1(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CCCC1 129311633 IPBVOKAFEYWHOW-GOSISDBHSA-N 386.536 4.545 0 50 GJAA O=C1c2ccccc2[C@H](C(=O)n2ccnc2)C2(CCCCC2)N1c1ccccc1 170622121 ZEMYNVKGIBUBAD-OAQYLSRUSA-N 385.467 4.670 0 50 GJAA Oc1nncc(N2CCC(CCc3ccccc3C(F)(F)F)CC2)c1Cl 1875253141 HSPZRMMJZIUAHL-UHFFFAOYSA-N 385.817 4.704 0 50 GJAA CCc1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 780832 XBNTXULRBSRZLV-INIZCTEOSA-N 394.418 4.709 0 50 GJAA CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1Br 1109815 YNMSHVIIALKXNC-UHFFFAOYSA-N 382.685 4.991 0 50 GJAA O[C@H](COc1cccc2ccccc12)Cn1c(C(F)(F)F)nc2ccccc21 1153247 LUMBOCVPJHRQMQ-HNNXBMFYSA-N 386.373 4.648 0 50 GJAA CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 1165461 PLGUERUHCBYHIO-UHFFFAOYSA-N 397.544 4.705 0 50 GJAA COCCCn1c(-c2ccc(Br)cc2)nc(=S)c2c1CCCC2 1805431 MOEWQROHCBAOGY-UHFFFAOYSA-N 393.350 4.957 0 50 GJAA CCCCOC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OCC(C)C)cc1 2891887 OUNKYRXNIZCIQL-JWGURIENSA-N 395.499 4.836 0 50 GJAA CC(C)(C)C(=O)Nc1cccc(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 2940661 GXQOHDPBBIYZOX-UHFFFAOYSA-N 380.488 4.887 0 50 GJAA C[n+]1c(SCSc2sc3ccccc3[n+]2C)sc2ccccc21 3107031 JKXROVWGVPRPKE-UHFFFAOYSA-N 376.597 4.607 0 50 GJAA Cc1nc(C(F)(F)F)c(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)s1 3117033 GOPWONPBJGMXNP-UHFFFAOYSA-N 397.296 4.529 0 50 GJAA COc1cc(Br)c(CNC23CC4CC(CC(C4)C2)C3)cc1OC 4133271 DYVHXAKSIZZXDR-UHFFFAOYSA-N 380.326 4.525 0 50 GJAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1 4910591 KPXCJZXZXHTVCW-SFHVURJKSA-N 395.499 4.982 0 50 GJAA Cc1cc(I)cc(C)c1NC(=O)CSc1ccccc1 5041865 PLRPPFVYZGMNRJ-UHFFFAOYSA-N 397.281 4.639 0 50 GJAA CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=N)NC2=O)cc1 5102377 ALYKUSNHEGXOHF-RGEXLXHISA-N 396.512 4.581 0 50 GJAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2c(F)ccc(F)c2F)c1C 12304383 MYGQTGRFFVNSLG-QGZVFWFLSA-N 399.416 4.714 0 50 GJAA Cc1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 12385214 MEEXNKHHSVGVMX-UHFFFAOYSA-N 397.478 4.866 0 50 GJAA C[C@H](c1cccs1)N(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 15074888 YICRYEHIHWNLMJ-GFCCVEGCSA-N 381.423 4.934 0 50 GJAA Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)c2cc1Cl 28290060 CSUKPVYHAQFRNK-NSHDSACASA-N 384.819 4.675 0 50 GJAA O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 35529458 JBZXLQHJZHITMW-UJUVCNOISA-N 391.467 4.653 0 50 GJAA CCN(CC)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2cc(C)ccc12 63869359 VEQVITGRKCHNGI-UHFFFAOYSA-N 376.504 4.780 0 50 GJAA c1ccc(-c2ncn(C[C@@H]3CCCO3)c2-c2ccccc2Cn2cccn2)cc1 65435500 JFRBEYVXLZFWBD-NRFANRHFSA-N 384.483 4.641 0 50 GJAA Cn1ccc2c(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)cccc21 67459454 WFUDBCKOLWSXRQ-IBGZPJMESA-N 389.282 4.699 0 50 GJAA O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc12 95705054 UCMFSGVIEPXYIV-UHFFFAOYSA-N 383.511 4.875 0 50 GJAA in-vitro O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@@H]1c1nccs1 175384778 OGEZPBBKWYDKOC-CQSZACIVSA-N 391.345 4.507 0 50 GJAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 245227343 CYEABNJSCNPBIF-LEZSPFLNSA-N 391.854 4.690 0 50 GJAA O=C(c1cccc(-c2ccccc2F)c1)N1CCC[C@H](OCc2ccccn2)C1 1506399999 LGDDSOGULQPEAJ-NRFANRHFSA-N 390.458 4.709 0 50 GJAA CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 1776111600 GGHAXCWUHGQXRN-HXUWFJFHSA-N 399.487 4.711 0 50 GJAA COC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1C 1875256264 UUVQUXBUNWZHLM-HTAPYJJXSA-N 390.483 4.813 0 50 GJAA CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 636827 SJNOQHFPPBHTIM-NSHDSACASA-N 377.893 4.955 0 50 GJAA COc1ccc(CCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 674221 MKMYSENFQGJGPQ-JOCHJYFZSA-N 377.509 4.888 0 50 GJAA biogenic Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc12 860965 MHZYFKZBNOSZES-UHFFFAOYSA-N 378.284 4.976 0 50 GJAA CCCc1cc(C(=O)OC)c(NC(=O)c2ccccc2Br)s1 1056273 OCAUZVQBHUSUHR-UHFFFAOYSA-N 382.279 4.502 0 50 GJAA CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1061896 XMZVCEJNJDQFJW-UHFFFAOYSA-N 394.496 4.611 0 50 GJAA CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc(F)cc2)cc1 1125250 OIFLEDQBHIIPQZ-LEWJYISDSA-N 383.463 4.876 0 50 GJAA COc1ccc(CSc2nnc(-c3cccnc3)s2)cc1Br 5063777 KJFFKDSTQNOJEW-UHFFFAOYSA-N 394.319 4.664 0 50 GJAA CCCc1sc(C(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1Br 6936848 ZKNWCKJJBDLITK-OAHLLOKOSA-N 398.370 4.504 0 50 GJAA CCOc1cccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)c1 7505084 SUMSECULKUPIQT-UHFFFAOYSA-N 389.411 4.555 0 50 GJAA COCc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)o1 12048319 SHIWVPZDKWQRPQ-QHCPKHFHSA-N 379.456 4.571 0 50 GJAA CCCc1ccc2oc(C(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)c(C)c2c1 12756065 JVCQQVRZQAACPW-IBGZPJMESA-N 390.483 4.824 0 50 GJAA Cc1cccc(N2C[C@H](C)N(C(=O)c3cccc(-c4ccccc4)c3)CC2=O)c1 82096261 MIFIOVJNFHYVJR-IBGZPJMESA-N 384.479 4.540 0 50 GJAA O=C(Nc1ccc(Cl)cc1Br)c1cc(F)c(F)c(F)c1F 158176193 YEVCXEGWVHPZLT-UHFFFAOYSA-N 382.538 4.911 0 50 GJAA C[C@@H]1Cc2c(sc(NC(=O)c3ccco3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 170607589 GJBPQJYMMVVBQJ-GHMZBOCLSA-N 377.462 4.571 0 50 GJAA Cc1noc(C)c1CCN[C@H](CCCN1CCC(C)CC1)c1ccc(F)cc1 225509608 SOJZYXJPXMEQKU-HSZRJFAPSA-N 387.543 4.816 0 50 GJAA O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1csc(Cl)c1 467934940 GNSIZZPKDONUBT-UHFFFAOYSA-N 395.864 4.626 0 50 GJAA O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@H]2CCCCC[C@@H]21 1875264176 OMLFJXBRYBRFJS-PBHICJAKSA-N 396.491 4.540 0 50 GJAA CCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c2ccccc12 1875324935 OWBCKHDCUUFJBD-UHFFFAOYSA-N 392.480 4.978 0 50 GJAA Cc1ccnc(-c2nc([C@@H](C)Oc3ccc(Br)cc3Cl)no2)c1 1875331339 FWXBSTNZEKLMIC-SNVBAGLBSA-N 394.656 4.996 0 50 GJAA Cc1cccc(N2CC[C@@H](Nc3ccnc4c(Br)cccc34)C2)c1 1875361573 VSNRDJACWZFICN-OAHLLOKOSA-N 382.305 4.997 0 50 GJAA Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccc(Br)cc1 629197 MLOOWGXDHOBTDJ-UHFFFAOYSA-N 375.222 4.660 0 50 GJAA O=C1C[C@H](c2ccc(I)cc2)c2ccc3ccccc3c2N1 728203 KZCYLCQHPYCJIY-QGZVFWFLSA-N 399.231 4.919 0 50 GJAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 1064907 WWKYAYHBGKKMAL-UHFFFAOYSA-N 395.328 4.553 0 50 GJAA C[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1 1081028 RUTAZMGDGMHQEL-CQSZACIVSA-N 391.496 4.773 0 50 GJAA CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c(O)c(C=O)c12 1155562 WNBGEQYHSUPDGN-UHFFFAOYSA-N 389.201 4.557 0 50 GJAA biogenic O=C(Nc1ccccc1F)c1ccn(COc2c(Cl)cccc2Cl)n1 2795610 SEOZSVHJSZAHEY-UHFFFAOYSA-N 380.206 4.618 0 50 GJAA CCOc1cccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 2874185 UENUNPWAVWHKEH-SFHVURJKSA-N 380.473 4.552 0 50 GJAA CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2900053 CFXSFPAFMZFVQH-UHFFFAOYSA-N 376.478 4.616 0 50 GJAA CCCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2927870 XZSAOUAUKSXMRI-IBGZPJMESA-N 394.500 4.943 0 50 GJAA CCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 4540198 XEFIZZGQQAUZTB-UHFFFAOYSA-N 377.516 4.788 0 50 GJAA Cc1ccc([S@@](=NS(=O)(=O)c2ccc(C)cc2)Nc2ccccc2)cc1 4570030 VZIBNHBZFGQTOU-VWLOTQADSA-N 384.526 4.880 0 50 GJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)c1 4998483 YDXHVTKIHGCSAT-UHFFFAOYSA-N 387.936 4.684 0 50 GJAA COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4sccc4C)C3)ccc2c1 11713064 LNLAWVDDMHSPCT-IBGZPJMESA-N 393.508 4.953 0 50 GJAA COc1ccc([C@@H](NC(=O)c2oc3c(F)cccc3c2C)c2ccncc2)cc1 11873458 MTFPAXBCHLZYCR-HXUWFJFHSA-N 390.414 4.803 0 50 GJAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 12302176 YGGXUTOLZZTSSH-SFHVURJKSA-N 390.418 4.698 0 50 GJAA COc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c(OC)c1OC 19720420 JBQUAGNGMDWXIB-OAQYLSRUSA-N 377.484 4.786 0 50 GJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1cc(-c2ccccn2)no1 72447256 YJYASYQWHCRCEW-UHFFFAOYSA-N 394.862 4.985 0 50 GJAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc1 82109135 GKTBCPJLRDPFAQ-SFHVURJKSA-N 376.456 4.581 0 50 GJAA CCNCc1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)cc2)n1 170676453 ICDRMPFQQNUDOW-UHFFFAOYSA-N 381.863 4.889 0 50 GJAA CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)cc1 252479877 BOISTFDZAFXPRS-UHFFFAOYSA-N 383.467 4.507 0 50 GJAA c1ccc(OC[C@@]23[C@@H]4[C@H]5[C@@H]6[C@H]2[C@@H]2CCC[C@@H]2[C@H]6[C@@]26CO[C@@]32[C@H]2CC[C@@H]([C@H]24)[C@@H]56)cc1 257357028 LQKBOOGLFRWCLL-FLVBOVPVSA-N 386.535 4.645 0 50 GJAA CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ncsc1C(C)C)CC2 808912773 ABQKBJVHLOLSIO-UHFFFAOYSA-N 389.521 4.654 0 50 GJAA C[C@@H](NC(=O)Nc1ccccc1SC(F)(F)F)c1ccc2c(c1)OCO2 916699148 QCGRURAJXSRGPB-SNVBAGLBSA-N 384.379 4.910 0 50 GJAA O=C(C[C@@H]1OCCc2sccc21)N1CCC(c2cccc3cnccc23)CC1 1875261464 TZLYDTBBWDGUFP-NRFANRHFSA-N 392.524 4.706 0 50 GJAA O=C(NC[C@@H]1CC[C@@H](c2ccccc2)O1)c1cc2cc(Br)ccc2[nH]1 1875311450 ZLKXMLGFLBAIOX-LPHOPBHVSA-N 399.288 4.581 0 50 GJAA Cn1c(=NCc2ccc(-c3ccccc3)o2)[nH]c2ccc(Br)cc21 2325878239 INWJUGAQFXXLFB-UHFFFAOYSA-N 382.261 4.630 0 50 GJAA CCOc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 1114039 GNMYKIZQONHSCC-UHFFFAOYSA-N 375.384 4.648 0 50 GJAA CCn1cc(Br)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 1142167 QVIYVRINNMSBTM-UHFFFAOYSA-N 396.594 4.590 0 50 GJAA Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 2738085 IGDJMRCASYCMPR-SJORKVTESA-N 384.501 4.847 0 50 GJAA O=C(CCc1nnc(C2CCCCC2)o1)N[C@@H](c1ccccc1)c1ccco1 12049801 FTNUSITVWCZFOA-NRFANRHFSA-N 379.460 4.549 0 50 GJAA CCN1CCC(N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 12594967 IECXDKITLCGBEI-OAQYLSRUSA-N 392.543 4.858 0 50 GJAA C[C@@H]1CCCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 15659198 UHSNXGHTSUFAOZ-PBWIWHKOSA-N 383.576 4.626 0 50 GJAA CN(Cc1cccc(C(F)(F)F)c1)Cc1nc(Cc2ccccc2Cl)no1 55211910 KDUVPMIMMLWJAS-UHFFFAOYSA-N 395.812 4.965 0 50 GJAA Cc1ccc(-n2cc(CN3CCC[C@H](C(=O)c4sccc4C)C3)cn2)cc1 55368539 YGLIJFMTKOZJDB-IBGZPJMESA-N 379.529 4.646 0 50 GJAA CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 55526921 WLVWPQCDKPDCOG-UHFFFAOYSA-N 385.939 4.647 0 50 GJAA Fc1cccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1 67872792 SOKIKSOCBPOEPA-UHFFFAOYSA-N 381.539 4.878 0 50 GJAA C[C@@H](Sc1ncnc2[nH]cnc12)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 127897673 YXBXFWUDISWNAN-SSDOTTSWSA-N 393.259 4.563 0 50 GJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 180820421 KLNNVMMNVNIJPW-IBGZPJMESA-N 390.491 4.633 0 50 GJAA